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 1fv2_1_A DATA FIRST_RESID 865 DATA SEQUENCE KNLDcWVDNE EDIDVILKKS TILNLDINND IISDISGFNS SVITYPDAQL DATA SEQUENCE VPGINGKAIH LVNNESSEVI VHKAMDIEYN DMFNNFTVSF WLRVPKVSAS DATA SEQUENCE HLEQYGTNEY SIISSMKKHS LSIGSGWSVS LKGNNLIWTL KDSAGEVRQI DATA SEQUENCE TFRDLPDKFN AYLANKWVFI TITNDRLSSA NLYINGVLMG SAEITGLGAI DATA SEQUENCE REDNNITLKL DRCNNNNQYV SIDKFRIFcK ALNPKEIEKL YTSYLSITFL DATA SEQUENCE RDFWGNPLRY DTEYYLIPVA SSSKDVQLKN ITDYMYLTNA PSYTNGKLNI DATA SEQUENCE YYRRLYNGLK FIIKRYTPNN EIDSFVKSGD FIKLYVSYNN NEHIVGYPKD DATA SEQUENCE GNAFNNLDRI LRVGYNAPGI PLYKKMEAVK LRDLKTYSVQ LKLYDDKNAS DATA SEQUENCE LGLVGTHNGQ IGNDPNRDIL IASNWYFNHL KDKILGCDWY FVPTDEGWTN DATA SEQUENCE D 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 K HA 0.000 nan 4.320 nan 0.000 0.191 865 K C 0.000 176.582 176.600 -0.030 0.000 0.988 865 K CA 0.000 56.267 56.287 -0.034 0.000 0.838 865 K CB 0.000 32.468 32.500 -0.054 0.000 1.064 866 N N 1.944 120.633 118.700 -0.018 0.000 2.562 866 N HA 0.382 5.119 4.740 -0.004 0.000 0.299 866 N C 1.009 176.518 175.510 -0.002 0.000 1.344 866 N CA -0.139 52.909 53.050 -0.004 0.000 0.914 866 N CB 0.270 38.763 38.487 0.011 0.000 1.101 866 N HN 0.465 nan 8.380 nan 0.000 0.527 867 L N -0.179 121.062 121.223 0.030 0.000 2.554 867 L HA 0.275 4.612 4.340 -0.004 0.000 0.225 867 L C -0.275 176.633 176.870 0.063 0.000 1.104 867 L CA 0.107 54.983 54.840 0.060 0.000 0.866 867 L CB -0.294 41.832 42.059 0.112 0.000 1.047 867 L HN 0.079 nan 8.230 nan 0.000 0.468 868 D N 1.338 121.765 120.400 0.045 0.000 2.345 868 D HA 0.174 4.811 4.640 -0.004 0.000 0.247 868 D C 0.459 176.780 176.300 0.034 0.000 1.108 868 D CA -0.327 53.709 54.000 0.060 0.000 0.894 868 D CB 1.119 41.947 40.800 0.047 0.000 1.203 868 D HN 0.177 nan 8.370 nan 0.000 0.430 869 c N 0.394 119.045 118.600 0.084 0.000 2.713 869 c HA 0.311 4.878 4.570 -0.004 0.000 0.330 869 c C 0.270 174.410 174.090 0.084 0.000 1.416 869 c CA -1.314 55.037 56.329 0.037 0.000 2.351 869 c CB -0.865 41.843 42.510 0.331 0.000 2.388 869 c HN 0.636 nan 8.230 nan 0.000 0.729 870 W N 0.367 121.709 121.300 0.069 0.000 2.694 870 W HA 0.203 4.860 4.660 -0.004 0.000 0.306 870 W C 0.972 177.519 176.519 0.047 0.000 0.835 870 W CA 0.911 58.290 57.345 0.057 0.000 0.962 870 W CB -0.782 28.717 29.460 0.065 0.000 1.046 870 W HN 0.672 nan 8.180 nan 0.000 0.516 871 V N -1.202 118.829 119.914 0.196 0.000 3.473 871 V HA -0.025 4.093 4.120 -0.004 0.000 0.253 871 V C 1.667 177.818 176.094 0.095 0.000 1.340 871 V CA 0.507 62.873 62.300 0.110 0.000 1.103 871 V CB -0.382 31.472 31.823 0.052 0.000 0.881 871 V HN 0.565 nan 8.190 nan 0.000 0.451 872 D N 2.092 122.558 120.400 0.109 0.000 1.464 872 D HA -0.288 4.350 4.640 -0.004 0.000 0.625 872 D C 0.846 177.180 176.300 0.056 0.000 0.701 872 D CA 2.111 56.160 54.000 0.081 0.000 1.722 872 D CB -0.619 40.235 40.800 0.091 0.000 0.642 872 D HN 0.507 nan 8.370 nan 0.000 0.257 873 N N 1.586 120.318 118.700 0.052 0.000 2.499 873 N HA -0.009 4.729 4.740 -0.004 0.000 0.281 873 N C -0.645 174.884 175.510 0.031 0.000 1.098 873 N CA -0.013 53.058 53.050 0.035 0.000 0.979 873 N CB 0.910 39.415 38.487 0.029 0.000 1.121 873 N HN 0.103 nan 8.380 nan 0.000 0.466 874 E N 2.911 123.124 120.200 0.022 0.000 1.893 874 E HA 0.047 4.395 4.350 -0.004 0.000 0.269 874 E C -0.195 176.411 176.600 0.010 0.000 1.129 874 E CA 0.021 56.430 56.400 0.015 0.000 0.904 874 E CB 0.184 29.890 29.700 0.010 0.000 1.077 874 E HN 0.595 nan 8.360 nan 0.000 0.407 875 E N 1.694 121.901 120.200 0.011 0.000 2.469 875 E HA 0.319 4.666 4.350 -0.004 0.000 0.246 875 E C -0.306 176.294 176.600 -0.000 0.000 0.969 875 E CA -0.972 55.431 56.400 0.006 0.000 0.881 875 E CB 0.473 30.180 29.700 0.011 0.000 1.320 875 E HN -0.015 nan 8.360 nan 0.000 0.421 876 D N 0.066 120.464 120.400 -0.003 0.000 2.405 876 D HA -0.093 4.545 4.640 -0.004 0.000 0.232 876 D C 1.219 177.511 176.300 -0.013 0.000 1.240 876 D CA 0.128 54.122 54.000 -0.010 0.000 0.881 876 D CB 0.445 41.239 40.800 -0.010 0.000 1.222 876 D HN 0.330 nan 8.370 nan 0.000 0.482 877 I N 0.999 121.555 120.570 -0.023 0.000 2.233 877 I HA -0.173 3.994 4.170 -0.004 0.000 0.243 877 I C 1.741 177.842 176.117 -0.027 0.000 1.093 877 I CA 1.109 62.389 61.300 -0.034 0.000 1.380 877 I CB -0.731 37.240 38.000 -0.048 0.000 1.067 877 I HN 0.342 nan 8.210 nan 0.000 0.413 878 D N 0.812 121.197 120.400 -0.025 0.000 2.190 878 D HA -0.141 4.496 4.640 -0.004 0.000 0.200 878 D C 2.359 178.662 176.300 0.004 0.000 0.992 878 D CA 0.974 54.964 54.000 -0.017 0.000 0.854 878 D CB 0.040 40.825 40.800 -0.024 0.000 0.936 878 D HN 0.147 nan 8.370 nan 0.000 0.462 879 V N 1.287 121.204 119.914 0.005 0.000 2.283 879 V HA -0.186 3.932 4.120 -0.004 0.000 0.243 879 V C 2.525 178.641 176.094 0.036 0.000 1.039 879 V CA 0.747 63.057 62.300 0.016 0.000 1.016 879 V CB -0.170 31.660 31.823 0.011 0.000 0.650 879 V HN 0.153 nan 8.190 nan 0.000 0.449 880 I N -0.089 120.499 120.570 0.030 0.000 2.194 880 I HA -0.283 3.885 4.170 -0.004 0.000 0.246 880 I C 2.400 178.562 176.117 0.075 0.000 1.093 880 I CA 1.918 63.245 61.300 0.045 0.000 1.355 880 I CB -1.008 36.998 38.000 0.011 0.000 1.046 880 I HN 0.295 nan 8.210 nan 0.000 0.413 881 L N 0.151 121.410 121.223 0.060 0.000 1.994 881 L HA -0.249 4.089 4.340 -0.004 0.000 0.208 881 L C 2.674 179.698 176.870 0.257 0.000 1.071 881 L CA 1.592 56.512 54.840 0.133 0.000 0.745 881 L CB -0.591 41.513 42.059 0.076 0.000 0.892 881 L HN 0.204 nan 8.230 nan 0.000 0.431 882 K N 0.420 120.910 120.400 0.151 0.000 2.026 882 K HA -0.185 4.133 4.320 -0.004 0.000 0.208 882 K C 2.021 178.693 176.600 0.120 0.000 1.048 882 K CA 1.425 57.785 56.287 0.122 0.000 0.929 882 K CB 0.062 32.598 32.500 0.060 0.000 0.713 882 K HN 0.115 nan 8.250 nan 0.000 0.439 883 K N 0.076 120.537 120.400 0.101 0.000 2.515 883 K HA -0.040 4.278 4.320 -0.004 0.000 0.196 883 K C 1.228 177.921 176.600 0.154 0.000 1.038 883 K CA 1.136 57.473 56.287 0.084 0.000 0.967 883 K CB 0.218 32.752 32.500 0.057 0.000 0.780 883 K HN 0.169 nan 8.250 nan 0.000 0.483 884 S N -1.233 114.606 115.700 0.232 0.000 2.650 884 S HA 0.106 4.574 4.470 -0.004 0.000 0.240 884 S C 0.309 175.119 174.600 0.351 0.000 1.007 884 S CA -0.679 57.708 58.200 0.311 0.000 0.984 884 S CB 0.615 64.002 63.200 0.312 0.000 0.910 884 S HN -0.145 nan 8.310 nan 0.000 0.509 885 T N 2.151 116.857 114.554 0.254 0.000 2.856 885 T HA 0.528 4.876 4.350 -0.004 0.000 0.292 885 T C 0.242 175.027 174.700 0.142 0.000 0.980 885 T CA -0.137 61.994 62.100 0.051 0.000 1.091 885 T CB 1.109 69.978 68.868 0.002 0.000 0.936 885 T HN 0.210 nan 8.240 nan 0.000 0.503 886 I N 3.352 123.943 120.570 0.035 0.000 4.338 886 I HA 0.472 4.639 4.170 -0.004 0.000 0.329 886 I C -1.030 175.091 176.117 0.007 0.000 1.378 886 I CA 0.215 61.528 61.300 0.021 0.000 1.170 886 I CB 0.689 38.666 38.000 -0.038 0.000 1.206 886 I HN 0.374 nan 8.210 nan 0.000 0.432 887 L N 0.585 121.825 121.223 0.028 0.000 2.830 887 L HA 0.489 4.827 4.340 -0.004 0.000 0.259 887 L C -2.018 174.863 176.870 0.019 0.000 0.926 887 L CA -0.274 54.606 54.840 0.066 0.000 0.993 887 L CB 1.365 43.483 42.059 0.100 0.000 1.589 887 L HN -0.046 nan 8.230 nan 0.000 0.460 888 N N 4.569 123.317 118.700 0.080 0.000 2.629 888 N HA 0.416 5.154 4.740 -0.004 0.000 0.277 888 N C -1.916 173.671 175.510 0.128 0.000 1.188 888 N CA -0.317 52.781 53.050 0.079 0.000 0.835 888 N CB 1.261 39.788 38.487 0.066 0.000 1.420 888 N HN 0.669 nan 8.380 nan 0.000 0.542 889 L N 1.976 123.302 121.223 0.172 0.000 2.295 889 L HA 0.351 4.689 4.340 -0.004 0.000 0.288 889 L C 0.240 177.198 176.870 0.148 0.000 1.079 889 L CA -0.424 54.519 54.840 0.172 0.000 0.830 889 L CB 0.421 42.615 42.059 0.226 0.000 1.200 889 L HN 0.420 nan 8.230 nan 0.000 0.438 890 D N 3.767 124.235 120.400 0.113 0.000 2.272 890 D HA 0.582 5.220 4.640 -0.004 0.000 0.247 890 D C -0.694 175.648 176.300 0.069 0.000 0.990 890 D CA -0.336 53.719 54.000 0.092 0.000 0.931 890 D CB 1.943 42.794 40.800 0.084 0.000 1.195 890 D HN 0.237 nan 8.370 nan 0.000 0.477 891 I N 2.543 123.143 120.570 0.051 0.000 2.447 891 I HA 0.328 4.495 4.170 -0.004 0.000 0.287 891 I C -0.537 175.595 176.117 0.025 0.000 1.023 891 I CA -0.673 60.650 61.300 0.038 0.000 1.083 891 I CB 1.458 39.479 38.000 0.035 0.000 1.245 891 I HN 0.164 nan 8.210 nan 0.000 0.434 892 N N 6.405 125.119 118.700 0.023 0.000 2.454 892 N HA 0.247 4.985 4.740 -0.004 0.000 0.291 892 N C -0.766 174.752 175.510 0.014 0.000 1.079 892 N CA -0.393 52.668 53.050 0.018 0.000 0.893 892 N CB 1.998 40.498 38.487 0.022 0.000 1.512 892 N HN 0.609 nan 8.380 nan 0.000 0.497 893 N N 2.094 120.801 118.700 0.011 0.000 2.725 893 N HA -0.198 4.539 4.740 -0.004 0.000 0.249 893 N C -1.013 174.502 175.510 0.008 0.000 1.103 893 N CA 1.071 54.126 53.050 0.008 0.000 0.707 893 N CB -0.663 37.829 38.487 0.008 0.000 1.043 893 N HN 0.746 nan 8.380 nan 0.000 0.553 894 D N -1.515 118.891 120.400 0.010 0.000 2.981 894 D HA -0.155 4.483 4.640 -0.004 0.000 0.223 894 D C -0.239 176.069 176.300 0.013 0.000 1.151 894 D CA 0.968 54.976 54.000 0.012 0.000 0.827 894 D CB -0.838 39.967 40.800 0.009 0.000 1.101 894 D HN 0.544 nan 8.370 nan 0.000 0.426 895 I N 0.706 121.285 120.570 0.015 0.000 2.433 895 I HA 0.383 4.551 4.170 -0.004 0.000 0.292 895 I C 0.679 176.810 176.117 0.024 0.000 1.001 895 I CA -0.726 60.582 61.300 0.014 0.000 1.119 895 I CB 1.497 39.503 38.000 0.010 0.000 1.289 895 I HN -0.128 nan 8.210 nan 0.000 0.438 896 I N 5.465 126.050 120.570 0.025 0.000 2.304 896 I HA 0.267 4.435 4.170 -0.004 0.000 0.291 896 I C 0.451 176.590 176.117 0.038 0.000 1.018 896 I CA 0.022 61.346 61.300 0.040 0.000 1.260 896 I CB 1.215 39.243 38.000 0.046 0.000 1.390 896 I HN 0.674 nan 8.210 nan 0.000 0.475 897 S N 3.350 119.080 115.700 0.049 0.000 2.627 897 S HA 0.487 4.955 4.470 -0.004 0.000 0.283 897 S C -1.106 173.537 174.600 0.071 0.000 1.127 897 S CA -0.981 57.249 58.200 0.050 0.000 0.863 897 S CB 2.390 65.613 63.200 0.037 0.000 1.121 897 S HN 0.524 nan 8.310 nan 0.000 0.479 898 D N 0.550 120.995 120.400 0.075 0.000 2.264 898 D HA 0.367 5.005 4.640 -0.004 0.000 0.250 898 D C 0.661 177.011 176.300 0.083 0.000 1.113 898 D CA -0.692 53.365 54.000 0.095 0.000 0.871 898 D CB 0.760 41.625 40.800 0.108 0.000 1.167 898 D HN 0.689 nan 8.370 nan 0.000 0.447 899 I N 0.907 121.528 120.570 0.084 0.000 4.050 899 I HA 0.148 4.316 4.170 -0.004 0.000 0.327 899 I C 1.112 177.268 176.117 0.064 0.000 1.473 899 I CA -0.297 61.042 61.300 0.065 0.000 1.124 899 I CB 0.198 38.234 38.000 0.060 0.000 1.129 899 I HN 0.237 nan 8.210 nan 0.000 0.428 900 S N 1.150 116.907 115.700 0.096 0.000 2.419 900 S HA 0.058 4.526 4.470 -0.004 0.000 0.235 900 S C 1.721 176.358 174.600 0.063 0.000 1.019 900 S CA 1.562 59.833 58.200 0.118 0.000 0.982 900 S CB -0.337 62.995 63.200 0.220 0.000 0.789 900 S HN 0.903 nan 8.310 nan 0.000 0.490 901 G N 0.072 108.879 108.800 0.012 0.000 2.796 901 G HA2 -0.100 3.857 3.960 -0.004 0.000 0.198 901 G HA3 -0.100 3.857 3.960 -0.004 0.000 0.198 901 G C 0.028 174.798 174.900 -0.218 0.000 1.062 901 G CA -0.233 44.774 45.100 -0.155 0.000 0.752 901 G HN 0.452 nan 8.290 nan 0.000 0.487 902 F N 1.855 121.810 119.950 0.009 0.000 2.435 902 F HA 0.611 5.135 4.527 -0.004 0.000 0.316 902 F C 0.846 176.661 175.800 0.026 0.000 1.220 902 F CA -0.123 57.888 58.000 0.019 0.000 1.241 902 F CB 0.377 39.397 39.000 0.033 0.000 1.234 902 F HN 0.025 nan 8.300 nan 0.000 0.569 903 N N -0.475 118.356 118.700 0.219 0.000 2.335 903 N HA 0.600 5.338 4.740 -0.004 0.000 0.304 903 N C -1.553 174.044 175.510 0.145 0.000 1.135 903 N CA -0.701 52.433 53.050 0.140 0.000 0.817 903 N CB 2.014 40.553 38.487 0.087 0.000 1.294 903 N HN 0.393 nan 8.380 nan 0.000 0.497 904 S N -0.289 115.477 115.700 0.110 0.000 2.566 904 S HA 0.377 4.845 4.470 -0.004 0.000 0.273 904 S C -1.005 173.628 174.600 0.054 0.000 1.157 904 S CA -0.714 57.543 58.200 0.095 0.000 0.938 904 S CB 0.953 64.215 63.200 0.104 0.000 1.087 904 S HN 0.427 nan 8.310 nan 0.000 0.474 905 S N 1.762 117.477 115.700 0.026 0.000 2.564 905 S HA 0.391 4.859 4.470 -0.004 0.000 0.278 905 S C -0.188 174.351 174.600 -0.102 0.000 1.333 905 S CA -0.530 57.643 58.200 -0.045 0.000 1.048 905 S CB 0.611 63.763 63.200 -0.079 0.000 0.900 905 S HN 0.504 nan 8.310 nan 0.000 0.505 906 V N 4.698 124.563 119.914 -0.082 0.000 2.407 906 V HA 0.370 4.487 4.120 -0.004 0.000 0.291 906 V C -0.338 175.695 176.094 -0.101 0.000 1.018 906 V CA -0.630 61.626 62.300 -0.073 0.000 0.842 906 V CB 1.240 33.058 31.823 -0.009 0.000 0.996 906 V HN 0.720 nan 8.190 nan 0.000 0.426 907 I N 3.657 124.154 120.570 -0.121 0.000 2.312 907 I HA 0.354 4.522 4.170 -0.004 0.000 0.290 907 I C 0.306 176.391 176.117 -0.054 0.000 1.008 907 I CA -0.013 61.204 61.300 -0.138 0.000 1.226 907 I CB 1.393 39.297 38.000 -0.161 0.000 1.371 907 I HN 0.456 nan 8.210 nan 0.000 0.468 908 T N 6.309 120.808 114.554 -0.091 0.000 2.744 908 T HA 0.427 4.774 4.350 -0.004 0.000 0.291 908 T C -0.105 174.550 174.700 -0.075 0.000 0.957 908 T CA -0.149 61.949 62.100 -0.004 0.000 1.002 908 T CB 0.389 69.254 68.868 -0.007 0.000 0.919 908 T HN 0.168 nan 8.240 nan 0.000 0.468 909 Y N 3.640 123.929 120.300 -0.017 0.000 2.289 909 Y HA 0.251 4.799 4.550 -0.004 0.000 0.332 909 Y C -1.030 174.865 175.900 -0.008 0.000 1.324 909 Y CA -1.893 56.199 58.100 -0.014 0.000 1.478 909 Y CB 0.008 38.458 38.460 -0.017 0.000 1.378 909 Y HN 0.452 nan 8.280 nan 0.000 0.558 910 P HA -0.125 nan 4.420 nan 0.000 0.218 910 P C 0.399 177.738 177.300 0.064 0.000 1.149 910 P CA 1.638 64.777 63.100 0.065 0.000 0.817 910 P CB 0.350 32.084 31.700 0.057 0.000 0.785 911 D N -1.049 119.397 120.400 0.078 0.000 2.463 911 D HA 0.261 4.899 4.640 -0.004 0.000 0.224 911 D C -0.250 176.080 176.300 0.050 0.000 1.174 911 D CA -0.290 53.740 54.000 0.050 0.000 0.829 911 D CB -0.204 40.614 40.800 0.031 0.000 0.993 911 D HN -0.047 nan 8.370 nan 0.000 0.497 912 A N 0.990 123.850 122.820 0.067 0.000 2.260 912 A HA 0.445 4.763 4.320 -0.004 0.000 0.312 912 A C 0.419 178.047 177.584 0.073 0.000 1.321 912 A CA -0.436 51.640 52.037 0.065 0.000 0.928 912 A CB 0.427 19.472 19.000 0.076 0.000 1.158 912 A HN 0.117 nan 8.150 nan 0.000 0.542 913 Q N 1.064 120.920 119.800 0.094 0.000 2.162 913 Q HA 0.750 5.088 4.340 -0.004 0.000 0.197 913 Q C -0.880 175.183 176.000 0.105 0.000 1.013 913 Q CA -0.592 55.268 55.803 0.095 0.000 1.040 913 Q CB 1.108 29.914 28.738 0.113 0.000 1.114 913 Q HN 0.706 nan 8.270 nan 0.000 0.547 914 L N 0.787 122.049 121.223 0.065 0.000 2.381 914 L HA 0.759 5.097 4.340 -0.004 0.000 0.268 914 L C -0.758 176.119 176.870 0.011 0.000 0.997 914 L CA -1.039 53.835 54.840 0.057 0.000 0.818 914 L CB 1.992 44.075 42.059 0.040 0.000 1.310 914 L HN 0.485 nan 8.230 nan 0.000 0.416 915 V N -0.113 119.817 119.914 0.027 0.000 3.159 915 V HA 0.654 4.771 4.120 -0.004 0.000 0.308 915 V C -2.805 173.315 176.094 0.042 0.000 1.190 915 V CA -2.589 59.705 62.300 -0.009 0.000 1.037 915 V CB 1.834 33.614 31.823 -0.072 0.000 1.060 915 V HN 0.476 nan 8.190 nan 0.000 0.437 916 P HA 0.364 nan 4.420 nan 0.000 0.263 916 P C 0.160 177.474 177.300 0.023 0.000 1.195 916 P CA 0.984 64.088 63.100 0.008 0.000 0.762 916 P CB 0.471 32.177 31.700 0.011 0.000 0.799 917 G N 1.623 110.312 108.800 -0.185 0.000 3.075 917 G HA2 0.314 4.272 3.960 -0.004 0.000 0.253 917 G HA3 0.314 4.272 3.960 -0.004 0.000 0.253 917 G C 0.377 174.832 174.900 -0.742 0.000 1.353 917 G CA -0.527 44.260 45.100 -0.522 0.000 1.051 917 G HN 0.379 nan 8.290 nan 0.000 0.553 918 I N -0.678 119.245 120.570 -1.079 0.000 2.617 918 I HA 0.143 4.311 4.170 -0.004 0.000 0.256 918 I C 0.756 176.516 176.117 -0.595 0.000 1.167 918 I CA 0.594 61.307 61.300 -0.978 0.000 1.469 918 I CB -0.008 37.094 38.000 -1.497 0.000 1.098 918 I HN 0.419 nan 8.210 nan 0.000 0.436 919 N N 0.340 118.758 118.700 -0.469 0.000 2.635 919 N HA 0.421 5.159 4.740 -0.004 0.000 0.252 919 N C -0.366 175.028 175.510 -0.194 0.000 1.589 919 N CA 0.540 53.432 53.050 -0.264 0.000 0.828 919 N CB 0.243 38.646 38.487 -0.139 0.000 1.403 919 N HN 0.343 nan 8.380 nan 0.000 0.518 920 G N 0.301 108.964 108.800 -0.227 0.000 2.270 920 G HA2 -0.028 3.930 3.960 -0.004 0.000 0.268 920 G HA3 -0.028 3.930 3.960 -0.004 0.000 0.268 920 G C -1.534 173.281 174.900 -0.142 0.000 1.312 920 G CA -0.961 44.051 45.100 -0.147 0.000 1.050 920 G HN 0.197 nan 8.290 nan 0.000 0.474 921 K N 0.165 120.520 120.400 -0.074 0.000 2.098 921 K HA 0.722 5.040 4.320 -0.004 0.000 0.257 921 K C 0.145 176.725 176.600 -0.033 0.000 0.999 921 K CA 0.192 56.454 56.287 -0.043 0.000 0.924 921 K CB 1.718 34.215 32.500 -0.004 0.000 1.028 921 K HN 1.068 nan 8.250 nan 0.000 0.466 922 A N 1.849 124.681 122.820 0.021 0.000 2.469 922 A HA 0.528 4.845 4.320 -0.004 0.000 0.299 922 A C -0.560 177.124 177.584 0.167 0.000 1.098 922 A CA -0.894 51.192 52.037 0.082 0.000 0.737 922 A CB 0.682 19.725 19.000 0.072 0.000 1.312 922 A HN 0.679 nan 8.150 nan 0.000 0.414 923 I N 2.256 122.942 120.570 0.193 0.000 2.533 923 I HA 0.095 4.263 4.170 -0.004 0.000 0.284 923 I C 0.231 176.497 176.117 0.248 0.000 1.109 923 I CA 0.421 61.833 61.300 0.187 0.000 1.412 923 I CB 0.252 38.342 38.000 0.150 0.000 1.396 923 I HN 0.619 nan 8.210 nan 0.000 0.543 924 H N 7.795 126.916 119.070 0.085 0.000 2.539 924 H HA 0.503 5.057 4.556 -0.004 0.000 0.332 924 H C -1.353 173.996 175.328 0.034 0.000 1.031 924 H CA -0.813 55.267 56.048 0.053 0.000 1.206 924 H CB 1.418 31.181 29.762 0.002 0.000 1.446 924 H HN 0.463 nan 8.280 nan 0.000 0.496 925 L N 6.511 127.584 121.223 -0.249 0.000 2.325 925 L HA 0.301 4.639 4.340 -0.004 0.000 0.281 925 L C 0.361 177.101 176.870 -0.218 0.000 1.004 925 L CA -0.912 53.831 54.840 -0.161 0.000 0.823 925 L CB 1.629 43.645 42.059 -0.070 0.000 1.236 925 L HN 0.355 nan 8.230 nan 0.000 0.415 926 V N -0.059 119.767 119.914 -0.146 0.000 3.336 926 V HA 0.503 4.621 4.120 -0.004 0.000 0.314 926 V C -0.008 176.039 176.094 -0.078 0.000 1.088 926 V CA -0.792 61.457 62.300 -0.085 0.000 1.033 926 V CB 1.611 33.407 31.823 -0.044 0.000 1.181 926 V HN 0.740 nan 8.190 nan 0.000 0.449 927 N N 2.607 121.257 118.700 -0.083 0.000 3.234 927 N HA 0.333 5.071 4.740 -0.004 0.000 0.272 927 N C -0.925 174.525 175.510 -0.100 0.000 1.254 927 N CA -0.255 52.721 53.050 -0.123 0.000 1.087 927 N CB -0.996 37.380 38.487 -0.185 0.000 1.356 927 N HN 1.045 nan 8.380 nan 0.000 0.511 928 N N -1.185 117.466 118.700 -0.081 0.000 2.591 928 N HA 0.221 4.959 4.740 -0.004 0.000 0.263 928 N C 0.123 175.590 175.510 -0.072 0.000 1.308 928 N CA -0.631 52.378 53.050 -0.069 0.000 0.837 928 N CB 0.797 39.256 38.487 -0.047 0.000 1.548 928 N HN -0.189 nan 8.380 nan 0.000 0.493 929 E N -0.115 120.042 120.200 -0.071 0.000 2.401 929 E HA -0.049 4.299 4.350 -0.004 0.000 0.199 929 E C 0.349 176.893 176.600 -0.093 0.000 1.023 929 E CA 0.783 57.130 56.400 -0.089 0.000 0.859 929 E CB -0.205 29.448 29.700 -0.078 0.000 0.780 929 E HN 0.621 nan 8.360 nan 0.000 0.523 930 S N 0.146 115.817 115.700 -0.048 0.000 2.527 930 S HA 0.013 4.481 4.470 -0.004 0.000 0.222 930 S C 1.036 175.643 174.600 0.012 0.000 0.985 930 S CA -0.016 58.183 58.200 -0.002 0.000 0.921 930 S CB 0.290 63.504 63.200 0.022 0.000 0.772 930 S HN -0.042 nan 8.310 nan 0.000 0.529 931 S N 1.981 117.663 115.700 -0.029 0.000 2.512 931 S HA 0.402 4.869 4.470 -0.004 0.000 0.291 931 S C -0.592 173.981 174.600 -0.045 0.000 1.151 931 S CA -0.553 57.638 58.200 -0.015 0.000 1.120 931 S CB 0.058 63.240 63.200 -0.029 0.000 1.029 931 S HN 0.501 nan 8.310 nan 0.000 0.485 932 E N 3.001 123.189 120.200 -0.020 0.000 2.390 932 E HA 0.594 4.942 4.350 -0.004 0.000 0.280 932 E C -1.953 174.676 176.600 0.047 0.000 0.992 932 E CA -0.756 55.600 56.400 -0.074 0.000 0.790 932 E CB 1.739 31.275 29.700 -0.273 0.000 1.248 932 E HN 0.337 nan 8.360 nan 0.000 0.447 933 V N 3.636 123.560 119.914 0.016 0.000 2.612 933 V HA 0.473 4.591 4.120 -0.004 0.000 0.301 933 V C -0.986 175.113 176.094 0.009 0.000 1.059 933 V CA -0.602 61.737 62.300 0.065 0.000 0.886 933 V CB 1.531 33.372 31.823 0.030 0.000 1.007 933 V HN 0.589 nan 8.190 nan 0.000 0.426 934 I N 4.413 125.016 120.570 0.054 0.000 2.569 934 I HA 0.589 4.756 4.170 -0.004 0.000 0.296 934 I C -0.381 175.718 176.117 -0.030 0.000 1.028 934 I CA -0.531 60.779 61.300 0.016 0.000 1.082 934 I CB 2.311 40.362 38.000 0.086 0.000 1.264 934 I HN 0.325 nan 8.210 nan 0.000 0.429 935 V N 5.560 125.464 119.914 -0.016 0.000 2.384 935 V HA 0.333 4.451 4.120 -0.004 0.000 0.287 935 V C -0.521 175.615 176.094 0.070 0.000 1.020 935 V CA -0.676 61.620 62.300 -0.007 0.000 0.850 935 V CB 1.052 32.909 31.823 0.057 0.000 0.987 935 V HN 0.614 nan 8.190 nan 0.000 0.436 936 H N 4.448 123.537 119.070 0.033 0.000 2.652 936 H HA 0.322 4.876 4.556 -0.004 0.000 0.298 936 H C -0.042 175.305 175.328 0.032 0.000 1.076 936 H CA -0.857 55.204 56.048 0.022 0.000 1.360 936 H CB 0.759 30.534 29.762 0.022 0.000 1.421 936 H HN 0.537 nan 8.280 nan 0.000 0.464 937 K N 2.210 122.693 120.400 0.139 0.000 2.382 937 K HA 0.309 4.627 4.320 -0.004 0.000 0.275 937 K C 0.256 176.906 176.600 0.084 0.000 1.009 937 K CA -0.493 55.848 56.287 0.090 0.000 0.970 937 K CB 0.792 33.324 32.500 0.055 0.000 0.934 937 K HN 0.519 nan 8.250 nan 0.000 0.479 938 A N 2.717 125.583 122.820 0.076 0.000 2.445 938 A HA 0.007 4.324 4.320 -0.004 0.000 0.242 938 A C 1.066 178.688 177.584 0.063 0.000 1.075 938 A CA -0.308 51.780 52.037 0.085 0.000 0.777 938 A CB 0.130 19.205 19.000 0.124 0.000 1.013 938 A HN 1.015 nan 8.150 nan 0.000 0.493 939 M N 0.786 120.430 119.600 0.073 0.000 2.706 939 M HA -0.126 4.352 4.480 -0.004 0.000 0.251 939 M C 0.200 176.545 176.300 0.076 0.000 1.070 939 M CA 1.741 57.081 55.300 0.067 0.000 1.073 939 M CB -0.450 32.189 32.600 0.065 0.000 1.449 939 M HN 0.855 nan 8.290 nan 0.000 0.531 940 D N 0.509 120.956 120.400 0.077 0.000 2.202 940 D HA -0.019 4.619 4.640 -0.004 0.000 0.214 940 D C 1.385 177.693 176.300 0.013 0.000 0.967 940 D CA 1.336 55.390 54.000 0.090 0.000 0.871 940 D CB -0.197 40.724 40.800 0.201 0.000 1.020 940 D HN 0.630 nan 8.370 nan 0.000 0.474 941 I N -1.481 119.017 120.570 -0.120 0.000 3.855 941 I HA 0.264 4.432 4.170 -0.004 0.000 0.327 941 I C 0.912 177.021 176.117 -0.014 0.000 1.359 941 I CA 0.135 61.348 61.300 -0.145 0.000 1.142 941 I CB -0.059 37.689 38.000 -0.419 0.000 1.041 941 I HN -0.180 nan 8.210 nan 0.000 0.403 942 E N 0.105 120.328 120.200 0.038 0.000 2.274 942 E HA -0.182 4.166 4.350 -0.004 0.000 0.194 942 E C 1.249 177.907 176.600 0.097 0.000 0.996 942 E CA 1.060 57.495 56.400 0.058 0.000 0.840 942 E CB -0.056 29.680 29.700 0.060 0.000 0.772 942 E HN 0.751 nan 8.360 nan 0.000 0.491 943 Y N 1.278 121.583 120.300 0.008 0.000 2.265 943 Y HA -0.066 4.482 4.550 -0.004 0.000 0.290 943 Y C 1.507 177.416 175.900 0.014 0.000 1.137 943 Y CA 1.023 59.135 58.100 0.020 0.000 1.147 943 Y CB -0.127 38.362 38.460 0.049 0.000 1.104 943 Y HN -0.146 nan 8.280 nan 0.000 0.514 944 N N 0.598 119.577 118.700 0.465 0.000 1.972 944 N HA -0.337 4.400 4.740 -0.004 0.000 0.131 944 N C 0.835 176.481 175.510 0.226 0.000 0.187 944 N CA 2.466 55.712 53.050 0.326 0.000 1.494 944 N CB -1.455 37.126 38.487 0.157 0.000 1.036 944 N HN 0.514 nan 8.380 nan 0.000 0.738 945 D N 0.187 120.573 120.400 -0.022 0.000 2.371 945 D HA 0.001 4.639 4.640 -0.004 0.000 0.234 945 D C 1.721 177.930 176.300 -0.151 0.000 1.049 945 D CA 0.112 54.008 54.000 -0.172 0.000 0.907 945 D CB -0.344 40.094 40.800 -0.604 0.000 0.891 945 D HN 0.456 nan 8.370 nan 0.000 0.531 946 M N -0.669 118.757 119.600 -0.289 0.000 2.059 946 M HA -0.107 4.371 4.480 -0.004 0.000 0.259 946 M C 0.612 176.672 176.300 -0.401 0.000 1.072 946 M CA 1.768 56.771 55.300 -0.495 0.000 1.117 946 M CB 0.026 32.008 32.600 -1.029 0.000 1.320 946 M HN -0.046 nan 8.290 nan 0.000 0.408 947 F N -0.726 119.257 119.950 0.056 0.000 2.735 947 F HA 0.351 4.876 4.527 -0.004 0.000 0.308 947 F C -0.271 175.633 175.800 0.173 0.000 1.112 947 F CA -1.035 57.042 58.000 0.127 0.000 1.235 947 F CB -0.025 39.058 39.000 0.138 0.000 1.027 947 F HN 0.019 nan 8.300 nan 0.000 0.528 948 N N 0.470 119.379 118.700 0.348 0.000 2.472 948 N HA 0.205 4.943 4.740 -0.004 0.000 0.289 948 N C -0.406 175.325 175.510 0.368 0.000 1.156 948 N CA -0.572 52.670 53.050 0.321 0.000 0.940 948 N CB 0.511 39.178 38.487 0.299 0.000 1.200 948 N HN -0.075 nan 8.380 nan 0.000 0.511 949 N N 0.402 119.272 118.700 0.283 0.000 2.479 949 N HA 0.325 5.063 4.740 -0.004 0.000 0.257 949 N C -0.621 175.121 175.510 0.385 0.000 1.232 949 N CA 0.220 53.419 53.050 0.248 0.000 0.920 949 N CB 0.074 38.636 38.487 0.126 0.000 1.105 949 N HN 0.482 nan 8.380 nan 0.000 0.444 950 F N -2.520 117.476 119.950 0.076 0.000 2.741 950 F HA 0.595 5.120 4.527 -0.004 0.000 0.311 950 F C -1.057 174.749 175.800 0.009 0.000 1.149 950 F CA -0.886 57.157 58.000 0.072 0.000 0.930 950 F CB 1.081 40.137 39.000 0.094 0.000 1.312 950 F HN 0.128 nan 8.300 nan 0.000 0.450 951 T N 2.029 116.610 114.554 0.046 0.000 2.921 951 T HA 0.655 5.002 4.350 -0.004 0.000 0.297 951 T C -1.440 173.269 174.700 0.015 0.000 1.013 951 T CA -0.623 61.422 62.100 -0.092 0.000 0.990 951 T CB 1.932 70.812 68.868 0.021 0.000 1.023 951 T HN 0.631 nan 8.240 nan 0.000 0.447 952 V N 3.454 123.239 119.914 -0.215 0.000 2.459 952 V HA 0.820 4.937 4.120 -0.004 0.000 0.295 952 V C -0.009 175.936 176.094 -0.249 0.000 1.029 952 V CA -0.698 61.465 62.300 -0.229 0.000 0.874 952 V CB 1.717 33.349 31.823 -0.319 0.000 0.985 952 V HN 1.043 nan 8.190 nan 0.000 0.438 953 S N 4.414 119.989 115.700 -0.210 0.000 2.569 953 S HA 0.981 5.448 4.470 -0.004 0.000 0.280 953 S C -1.024 173.488 174.600 -0.147 0.000 1.111 953 S CA -0.678 57.332 58.200 -0.317 0.000 0.887 953 S CB 2.365 65.490 63.200 -0.126 0.000 1.095 953 S HN 1.184 nan 8.310 nan 0.000 0.476 954 F N -2.556 117.184 119.950 -0.350 0.000 2.769 954 F HA 0.733 5.257 4.527 -0.004 0.000 0.313 954 F C -2.187 173.586 175.800 -0.045 0.000 1.146 954 F CA -1.706 56.275 58.000 -0.031 0.000 0.934 954 F CB 0.144 39.274 39.000 0.216 0.000 1.283 954 F HN 0.653 nan 8.300 nan 0.000 0.443 955 W N 2.862 124.400 121.300 0.397 0.000 2.381 955 W HA 0.731 5.388 4.660 -0.004 0.000 0.329 955 W C -0.991 175.965 176.519 0.728 0.000 1.157 955 W CA -0.601 57.027 57.345 0.471 0.000 1.240 955 W CB 1.730 31.376 29.460 0.310 0.000 1.199 955 W HN 0.639 nan 8.180 nan 0.000 0.579 956 L N 3.377 125.138 121.223 0.897 0.000 2.445 956 L HA 0.595 4.933 4.340 -0.004 0.000 0.262 956 L C -1.091 175.925 176.870 0.242 0.000 0.974 956 L CA -1.158 54.047 54.840 0.608 0.000 0.822 956 L CB 1.900 44.261 42.059 0.503 0.000 1.339 956 L HN 0.487 nan 8.230 nan 0.000 0.409 957 R N 3.802 124.206 120.500 -0.161 0.000 2.502 957 R HA 0.782 5.119 4.340 -0.004 0.000 0.298 957 R C -2.209 174.019 176.300 -0.120 0.000 1.018 957 R CA -0.527 55.325 56.100 -0.413 0.000 0.899 957 R CB 1.968 31.518 30.300 -1.250 0.000 1.181 957 R HN 0.559 nan 8.270 nan 0.000 0.444 958 V N 7.030 126.926 119.914 -0.029 0.000 2.531 958 V HA 0.516 4.634 4.120 -0.004 0.000 0.301 958 V C -2.049 174.036 176.094 -0.015 0.000 1.034 958 V CA -2.241 60.073 62.300 0.024 0.000 0.865 958 V CB 2.373 34.237 31.823 0.068 0.000 0.995 958 V HN 0.767 nan 8.190 nan 0.000 0.424 959 P HA 0.090 nan 4.420 nan 0.000 0.271 959 P C -0.905 176.328 177.300 -0.110 0.000 1.244 959 P CA -0.412 62.625 63.100 -0.105 0.000 0.793 959 P CB 0.743 32.289 31.700 -0.256 0.000 0.984 960 K N 1.067 121.381 120.400 -0.143 0.000 2.297 960 K HA 0.198 4.516 4.320 -0.004 0.000 0.286 960 K C -0.702 175.766 176.600 -0.218 0.000 1.053 960 K CA -0.407 55.745 56.287 -0.224 0.000 0.940 960 K CB 0.321 32.534 32.500 -0.478 0.000 1.019 960 K HN 0.188 nan 8.250 nan 0.000 0.475 961 V N 4.073 123.903 119.914 -0.140 0.000 2.488 961 V HA 0.011 4.128 4.120 -0.004 0.000 0.277 961 V C 0.807 176.848 176.094 -0.089 0.000 1.046 961 V CA -0.596 61.667 62.300 -0.060 0.000 0.986 961 V CB 0.760 32.595 31.823 0.021 0.000 0.989 961 V HN 0.891 nan 8.190 nan 0.000 0.475 962 S N 4.434 120.072 115.700 -0.103 0.000 2.573 962 S HA 0.293 4.761 4.470 -0.004 0.000 0.277 962 S C 1.439 175.990 174.600 -0.083 0.000 1.346 962 S CA 0.059 58.160 58.200 -0.166 0.000 1.034 962 S CB 1.213 64.222 63.200 -0.319 0.000 0.879 962 S HN 1.166 nan 8.310 nan 0.000 0.528 963 A N 2.704 125.482 122.820 -0.070 0.000 1.978 963 A HA -0.022 4.296 4.320 -0.004 0.000 0.220 963 A C 2.415 179.991 177.584 -0.012 0.000 1.170 963 A CA 1.854 53.898 52.037 0.010 0.000 0.636 963 A CB -1.377 17.666 19.000 0.073 0.000 0.810 963 A HN 0.854 nan 8.150 nan 0.000 0.448 964 S N -1.257 114.395 115.700 -0.081 0.000 2.368 964 S HA -0.128 4.340 4.470 -0.004 0.000 0.224 964 S C 1.716 176.318 174.600 0.003 0.000 1.029 964 S CA 1.267 59.421 58.200 -0.076 0.000 0.988 964 S CB -0.489 62.620 63.200 -0.150 0.000 0.838 964 S HN 0.830 nan 8.310 nan 0.000 0.462 965 H N 0.321 119.385 119.070 -0.011 0.000 2.423 965 H HA 0.104 4.657 4.556 -0.004 0.000 0.297 965 H C 1.974 177.323 175.328 0.036 0.000 1.075 965 H CA 0.808 56.882 56.048 0.044 0.000 1.342 965 H CB -0.002 29.826 29.762 0.110 0.000 1.395 965 H HN 0.225 nan 8.280 nan 0.000 0.530 966 L N 0.549 121.852 121.223 0.132 0.000 2.027 966 L HA -0.154 4.183 4.340 -0.004 0.000 0.206 966 L C 2.372 179.265 176.870 0.039 0.000 1.074 966 L CA 1.184 56.078 54.840 0.089 0.000 0.745 966 L CB -0.254 41.846 42.059 0.069 0.000 0.898 966 L HN 0.325 nan 8.230 nan 0.000 0.433 967 E N -0.347 119.861 120.200 0.013 0.000 2.086 967 E HA -0.325 4.023 4.350 -0.004 0.000 0.200 967 E C 2.237 178.791 176.600 -0.076 0.000 1.012 967 E CA 1.671 58.058 56.400 -0.021 0.000 0.812 967 E CB -0.079 29.606 29.700 -0.026 0.000 0.743 967 E HN 0.531 nan 8.360 nan 0.000 0.453 968 Q N -0.973 118.731 119.800 -0.160 0.000 2.062 968 Q HA -0.100 4.238 4.340 -0.004 0.000 0.196 968 Q C 0.726 176.460 176.000 -0.444 0.000 0.967 968 Q CA 1.064 56.616 55.803 -0.418 0.000 0.832 968 Q CB 0.279 28.559 28.738 -0.763 0.000 0.899 968 Q HN 0.332 nan 8.270 nan 0.000 0.442 969 Y N -1.943 118.376 120.300 0.033 0.000 2.682 969 Y HA 0.314 4.862 4.550 -0.004 0.000 0.251 969 Y C 1.454 177.378 175.900 0.040 0.000 1.172 969 Y CA -0.248 57.861 58.100 0.014 0.000 1.186 969 Y CB 0.330 38.766 38.460 -0.039 0.000 1.216 969 Y HN 0.073 nan 8.280 nan 0.000 0.540 970 G N -0.057 108.825 108.800 0.137 0.000 2.509 970 G HA2 -0.180 3.777 3.960 -0.004 0.000 0.218 970 G HA3 -0.180 3.777 3.960 -0.004 0.000 0.218 970 G C 1.417 176.369 174.900 0.086 0.000 1.124 970 G CA 1.569 46.731 45.100 0.104 0.000 0.776 970 G HN 0.415 nan 8.290 nan 0.000 0.547 971 T N -2.500 112.105 114.554 0.084 0.000 3.069 971 T HA 0.169 4.516 4.350 -0.004 0.000 0.252 971 T C 0.728 175.476 174.700 0.079 0.000 1.053 971 T CA -0.415 61.723 62.100 0.064 0.000 0.964 971 T CB -0.057 68.838 68.868 0.044 0.000 1.005 971 T HN 0.288 nan 8.240 nan 0.000 0.532 972 N N 2.089 120.863 118.700 0.123 0.000 2.482 972 N HA 0.072 4.810 4.740 -0.004 0.000 0.242 972 N C -0.430 175.184 175.510 0.173 0.000 1.100 972 N CA -0.192 52.944 53.050 0.143 0.000 0.946 972 N CB 0.653 39.245 38.487 0.174 0.000 1.227 972 N HN 0.500 nan 8.380 nan 0.000 0.508 973 E N 3.581 123.839 120.200 0.097 0.000 2.366 973 E HA 0.098 4.446 4.350 -0.004 0.000 0.266 973 E C -1.395 175.268 176.600 0.104 0.000 1.051 973 E CA -0.388 56.030 56.400 0.030 0.000 0.884 973 E CB 0.568 30.262 29.700 -0.010 0.000 1.006 973 E HN 0.603 nan 8.360 nan 0.000 0.417 974 Y N -0.263 120.029 120.300 -0.014 0.000 2.521 974 Y HA 0.421 4.969 4.550 -0.004 0.000 0.332 974 Y C -1.051 174.836 175.900 -0.022 0.000 1.121 974 Y CA -1.149 56.932 58.100 -0.032 0.000 1.037 974 Y CB 0.763 39.191 38.460 -0.054 0.000 1.330 974 Y HN 0.261 nan 8.280 nan 0.000 0.452 975 S N 2.348 118.098 115.700 0.084 0.000 2.592 975 S HA 0.450 4.918 4.470 -0.004 0.000 0.271 975 S C 0.770 175.420 174.600 0.084 0.000 1.326 975 S CA 0.046 58.259 58.200 0.022 0.000 1.024 975 S CB 0.586 63.782 63.200 -0.006 0.000 0.921 975 S HN 0.792 nan 8.310 nan 0.000 0.527 976 I N -0.969 119.620 120.570 0.031 0.000 4.398 976 I HA 0.501 4.669 4.170 -0.004 0.000 0.310 976 I C -0.315 175.778 176.117 -0.039 0.000 1.232 976 I CA 0.003 61.319 61.300 0.027 0.000 1.312 976 I CB 0.256 38.285 38.000 0.048 0.000 1.347 976 I HN 0.331 nan 8.210 nan 0.000 0.454 977 I N 1.677 122.236 120.570 -0.017 0.000 2.647 977 I HA 0.683 4.851 4.170 -0.004 0.000 0.295 977 I C -0.776 175.361 176.117 0.034 0.000 1.078 977 I CA -0.682 60.602 61.300 -0.027 0.000 1.048 977 I CB 2.185 40.167 38.000 -0.031 0.000 1.239 977 I HN 0.326 nan 8.210 nan 0.000 0.421 978 S N 2.570 118.167 115.700 -0.171 0.000 2.611 978 S HA 0.603 5.070 4.470 -0.004 0.000 0.270 978 S C -1.117 173.001 174.600 -0.804 0.000 1.131 978 S CA -0.727 57.183 58.200 -0.484 0.000 0.826 978 S CB 1.911 64.929 63.200 -0.304 0.000 1.095 978 S HN 0.687 nan 8.310 nan 0.000 0.461 979 S N 1.443 116.432 115.700 -1.185 0.000 2.385 979 S HA 0.558 5.025 4.470 -0.004 0.000 0.191 979 S C -1.284 172.864 174.600 -0.752 0.000 1.196 979 S CA -0.505 57.130 58.200 -0.941 0.000 1.178 979 S CB -0.302 62.238 63.200 -1.100 0.000 1.258 979 S HN 0.710 nan 8.310 nan 0.000 0.430 980 M N 2.914 122.228 119.600 -0.476 0.000 2.393 980 M HA 0.434 4.912 4.480 -0.004 0.000 0.299 980 M C -0.686 175.433 176.300 -0.302 0.000 1.103 980 M CA -0.939 54.149 55.300 -0.354 0.000 0.910 980 M CB 2.284 34.709 32.600 -0.291 0.000 1.659 980 M HN 0.406 nan 8.290 nan 0.000 0.445 981 K N 2.312 122.530 120.400 -0.303 0.000 2.472 981 K HA 0.047 4.364 4.320 -0.004 0.000 0.280 981 K C -0.745 175.570 176.600 -0.476 0.000 1.028 981 K CA 0.423 56.474 56.287 -0.394 0.000 1.045 981 K CB 0.405 32.624 32.500 -0.468 0.000 0.902 981 K HN 0.201 nan 8.250 nan 0.000 0.478 982 K N 4.207 124.368 120.400 -0.400 0.000 2.310 982 K HA 0.167 4.485 4.320 -0.004 0.000 0.290 982 K C -0.615 175.796 176.600 -0.314 0.000 1.077 982 K CA -0.045 56.068 56.287 -0.291 0.000 0.922 982 K CB 0.293 32.681 32.500 -0.187 0.000 1.057 982 K HN 0.518 nan 8.250 nan 0.000 0.479 983 H N 0.113 119.143 119.070 -0.065 0.000 2.710 983 H HA 0.234 4.787 4.556 -0.004 0.000 0.361 983 H C 1.098 176.398 175.328 -0.046 0.000 1.175 983 H CA -0.799 55.217 56.048 -0.054 0.000 1.206 983 H CB 1.890 31.621 29.762 -0.052 0.000 1.750 983 H HN 0.466 nan 8.280 nan 0.000 0.553 984 S N 0.195 115.964 115.700 0.116 0.000 2.389 984 S HA -0.146 4.322 4.470 -0.004 0.000 0.229 984 S C 1.434 176.048 174.600 0.023 0.000 1.048 984 S CA 1.595 59.819 58.200 0.038 0.000 1.117 984 S CB -0.015 63.191 63.200 0.011 0.000 1.020 984 S HN 0.350 nan 8.310 nan 0.000 0.430 985 L N 0.070 121.307 121.223 0.023 0.000 2.858 985 L HA 0.423 4.760 4.340 -0.004 0.000 0.251 985 L C 0.667 177.545 176.870 0.013 0.000 1.149 985 L CA 0.329 55.173 54.840 0.007 0.000 0.955 985 L CB -0.231 41.822 42.059 -0.009 0.000 1.289 985 L HN 0.425 nan 8.230 nan 0.000 0.542 986 S N -0.374 115.355 115.700 0.048 0.000 2.752 986 S HA 0.746 5.213 4.470 -0.004 0.000 0.284 986 S C -1.045 173.593 174.600 0.063 0.000 1.189 986 S CA -0.681 57.546 58.200 0.046 0.000 0.835 986 S CB 1.890 65.115 63.200 0.042 0.000 1.192 986 S HN -0.076 nan 8.310 nan 0.000 0.506 987 I N 0.797 121.383 120.570 0.026 0.000 2.378 987 I HA 0.867 5.035 4.170 -0.004 0.000 0.291 987 I C 0.732 176.848 176.117 -0.001 0.000 0.992 987 I CA -0.705 60.577 61.300 -0.031 0.000 1.154 987 I CB 0.597 38.556 38.000 -0.068 0.000 1.315 987 I HN 0.929 nan 8.210 nan 0.000 0.448 988 G N 3.485 112.251 108.800 -0.058 0.000 3.271 988 G HA2 0.589 4.547 3.960 -0.004 0.000 0.174 988 G HA3 0.589 4.547 3.960 -0.004 0.000 0.174 988 G C -0.384 174.462 174.900 -0.090 0.000 1.385 988 G CA -0.019 45.073 45.100 -0.015 0.000 0.979 988 G HN 0.815 nan 8.290 nan 0.000 0.610 989 S N -1.230 114.412 115.700 -0.096 0.000 2.616 989 S HA 0.767 5.234 4.470 -0.004 0.000 0.277 989 S C 0.281 174.784 174.600 -0.161 0.000 1.234 989 S CA 0.474 58.609 58.200 -0.108 0.000 1.028 989 S CB 1.328 64.476 63.200 -0.087 0.000 0.988 989 S HN 2.159 nan 8.310 nan 0.000 0.522 990 G N 0.974 109.692 108.800 -0.137 0.000 2.347 990 G HA2 0.249 4.206 3.960 -0.004 0.000 0.224 990 G HA3 0.249 4.206 3.960 -0.004 0.000 0.224 990 G C -1.523 173.328 174.900 -0.082 0.000 1.318 990 G CA -0.356 44.633 45.100 -0.185 0.000 1.016 990 G HN 1.283 nan 8.290 nan 0.000 0.469 991 W N -0.121 121.085 121.300 -0.157 0.000 3.029 991 W HA 0.811 5.468 4.660 -0.004 0.000 0.339 991 W C -0.306 176.030 176.519 -0.305 0.000 1.198 991 W CA -0.598 56.556 57.345 -0.320 0.000 1.148 991 W CB 1.301 30.567 29.460 -0.322 0.000 1.451 991 W HN 1.491 nan 8.180 nan 0.000 0.564 992 S N 0.011 115.667 115.700 -0.073 0.000 2.537 992 S HA 0.658 5.126 4.470 -0.004 0.000 0.270 992 S C -1.768 172.881 174.600 0.081 0.000 1.142 992 S CA -0.746 57.468 58.200 0.024 0.000 0.870 992 S CB 1.945 65.087 63.200 -0.096 0.000 1.112 992 S HN 0.461 nan 8.310 nan 0.000 0.466 993 V N 2.973 123.048 119.914 0.268 0.000 2.384 993 V HA 0.821 4.939 4.120 -0.004 0.000 0.287 993 V C 0.066 176.240 176.094 0.132 0.000 1.020 993 V CA -0.126 62.366 62.300 0.320 0.000 0.850 993 V CB 0.942 33.008 31.823 0.405 0.000 0.987 993 V HN 1.189 nan 8.190 nan 0.000 0.436 994 S N 5.388 121.133 115.700 0.074 0.000 2.697 994 S HA 0.897 5.364 4.470 -0.004 0.000 0.289 994 S C -1.082 173.439 174.600 -0.132 0.000 1.149 994 S CA -0.971 57.186 58.200 -0.072 0.000 0.850 994 S CB 1.990 65.124 63.200 -0.109 0.000 1.151 994 S HN 0.378 nan 8.310 nan 0.000 0.491 995 L N 0.290 121.271 121.223 -0.402 0.000 2.333 995 L HA 0.725 5.062 4.340 -0.004 0.000 0.263 995 L C -0.677 175.956 176.870 -0.394 0.000 1.014 995 L CA -0.711 53.914 54.840 -0.359 0.000 0.820 995 L CB 2.207 44.037 42.059 -0.382 0.000 1.352 995 L HN 0.834 nan 8.230 nan 0.000 0.421 996 K N 1.020 121.331 120.400 -0.148 0.000 2.729 996 K HA 0.484 4.802 4.320 -0.004 0.000 0.269 996 K C 0.017 176.631 176.600 0.022 0.000 1.065 996 K CA 0.360 56.621 56.287 -0.042 0.000 1.000 996 K CB 1.153 33.639 32.500 -0.025 0.000 1.283 996 K HN 0.811 nan 8.250 nan 0.000 0.491 997 G N 3.595 112.440 108.800 0.075 0.000 2.556 997 G HA2 -0.366 3.591 3.960 -0.004 0.000 0.283 997 G HA3 -0.366 3.591 3.960 -0.004 0.000 0.283 997 G C -0.056 174.875 174.900 0.053 0.000 1.177 997 G CA 0.331 45.475 45.100 0.074 0.000 0.978 997 G HN 0.714 nan 8.290 nan 0.000 0.554 998 N N 2.158 120.878 118.700 0.033 0.000 2.558 998 N HA 0.308 5.045 4.740 -0.004 0.000 0.281 998 N C -0.707 174.805 175.510 0.003 0.000 1.219 998 N CA -0.315 52.753 53.050 0.029 0.000 0.942 998 N CB 0.141 38.642 38.487 0.022 0.000 1.241 998 N HN 0.367 nan 8.380 nan 0.000 0.511 999 N N 0.939 119.646 118.700 0.011 0.000 2.269 999 N HA 0.360 5.097 4.740 -0.004 0.000 0.304 999 N C -1.418 174.140 175.510 0.080 0.000 1.072 999 N CA -0.562 52.493 53.050 0.008 0.000 0.802 999 N CB 2.313 40.792 38.487 -0.013 0.000 1.348 999 N HN 0.035 nan 8.380 nan 0.000 0.484 1000 L N 1.960 123.294 121.223 0.186 0.000 2.319 1000 L HA 0.612 4.950 4.340 -0.004 0.000 0.281 1000 L C -1.243 175.741 176.870 0.189 0.000 1.005 1000 L CA -0.373 54.589 54.840 0.202 0.000 0.828 1000 L CB 0.609 42.833 42.059 0.275 0.000 1.227 1000 L HN 0.487 nan 8.230 nan 0.000 0.415 1001 I N 5.215 125.868 120.570 0.139 0.000 2.404 1001 I HA 0.309 4.477 4.170 -0.004 0.000 0.293 1001 I C -1.031 175.224 176.117 0.230 0.000 0.992 1001 I CA -0.270 61.118 61.300 0.147 0.000 1.149 1001 I CB 1.420 39.458 38.000 0.063 0.000 1.315 1001 I HN 0.650 nan 8.210 nan 0.000 0.446 1002 W N 6.853 128.190 121.300 0.062 0.000 2.429 1002 W HA 0.531 5.189 4.660 -0.004 0.000 0.314 1002 W C -1.427 175.142 176.519 0.082 0.000 1.062 1002 W CA -0.410 56.982 57.345 0.078 0.000 1.211 1002 W CB 1.867 31.350 29.460 0.038 0.000 1.305 1002 W HN 0.357 nan 8.180 nan 0.000 0.476 1003 T N 6.878 121.038 114.554 -0.657 0.000 2.861 1003 T HA 0.557 4.905 4.350 -0.004 0.000 0.287 1003 T C -0.627 173.756 174.700 -0.528 0.000 1.003 1003 T CA -0.501 61.337 62.100 -0.437 0.000 0.977 1003 T CB 1.597 70.334 68.868 -0.219 0.000 0.996 1003 T HN 0.310 nan 8.240 nan 0.000 0.448 1004 L N 2.850 123.916 121.223 -0.262 0.000 2.385 1004 L HA 0.671 5.009 4.340 -0.004 0.000 0.273 1004 L C -0.368 176.470 176.870 -0.054 0.000 0.990 1004 L CA -0.914 53.861 54.840 -0.108 0.000 0.821 1004 L CB 2.178 44.254 42.059 0.029 0.000 1.279 1004 L HN 0.413 nan 8.230 nan 0.000 0.412 1005 K N 2.180 122.554 120.400 -0.044 0.000 2.507 1005 K HA 0.325 4.643 4.320 -0.004 0.000 0.252 1005 K C -1.020 175.558 176.600 -0.036 0.000 0.943 1005 K CA -0.651 55.611 56.287 -0.041 0.000 0.808 1005 K CB 1.475 33.939 32.500 -0.059 0.000 1.142 1005 K HN 0.591 nan 8.250 nan 0.000 0.426 1006 D N 1.707 122.089 120.400 -0.030 0.000 2.478 1006 D HA 0.112 4.750 4.640 -0.004 0.000 0.269 1006 D C 0.378 176.648 176.300 -0.050 0.000 1.232 1006 D CA -0.372 53.599 54.000 -0.048 0.000 1.059 1006 D CB 0.783 41.556 40.800 -0.046 0.000 1.104 1006 D HN 0.319 nan 8.370 nan 0.000 0.566 1007 S N -0.948 114.714 115.700 -0.064 0.000 2.382 1007 S HA -0.059 4.409 4.470 -0.004 0.000 0.228 1007 S C 1.832 176.418 174.600 -0.023 0.000 1.027 1007 S CA 1.086 59.261 58.200 -0.041 0.000 0.991 1007 S CB -0.596 62.574 63.200 -0.050 0.000 0.823 1007 S HN 0.661 nan 8.310 nan 0.000 0.469 1008 A N 0.318 123.125 122.820 -0.021 0.000 2.248 1008 A HA 0.384 4.702 4.320 -0.004 0.000 0.210 1008 A C 1.668 179.244 177.584 -0.013 0.000 1.174 1008 A CA 1.005 53.034 52.037 -0.012 0.000 0.750 1008 A CB -1.027 17.970 19.000 -0.005 0.000 0.780 1008 A HN 0.914 nan 8.150 nan 0.000 0.478 1009 G N -0.959 107.832 108.800 -0.016 0.000 2.148 1009 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.254 1009 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.254 1009 G C -0.054 174.838 174.900 -0.014 0.000 0.981 1009 G CA 0.438 45.529 45.100 -0.016 0.000 0.670 1009 G HN 0.628 nan 8.290 nan 0.000 0.528 1010 E N -0.432 119.762 120.200 -0.011 0.000 2.338 1010 E HA 0.498 4.846 4.350 -0.004 0.000 0.272 1010 E C 0.172 176.768 176.600 -0.007 0.000 1.029 1010 E CA -0.185 56.212 56.400 -0.005 0.000 0.872 1010 E CB 1.442 31.143 29.700 0.002 0.000 1.015 1010 E HN 0.162 nan 8.360 nan 0.000 0.417 1011 V N 4.737 124.647 119.914 -0.006 0.000 2.495 1011 V HA 0.476 4.594 4.120 -0.004 0.000 0.298 1011 V C -0.270 175.825 176.094 0.002 0.000 1.031 1011 V CA -0.894 61.400 62.300 -0.010 0.000 0.871 1011 V CB 1.589 33.401 31.823 -0.018 0.000 0.988 1011 V HN 0.575 nan 8.190 nan 0.000 0.432 1012 R N 3.578 124.082 120.500 0.007 0.000 2.599 1012 R HA 0.673 5.011 4.340 -0.004 0.000 0.295 1012 R C -0.981 175.334 176.300 0.026 0.000 0.963 1012 R CA -0.642 55.474 56.100 0.027 0.000 0.883 1012 R CB 2.455 32.786 30.300 0.051 0.000 1.171 1012 R HN 0.735 nan 8.270 nan 0.000 0.450 1013 Q N 1.472 121.298 119.800 0.044 0.000 2.433 1013 Q HA 0.594 4.932 4.340 -0.004 0.000 0.279 1013 Q C -0.552 175.517 176.000 0.116 0.000 1.105 1013 Q CA -0.855 54.985 55.803 0.061 0.000 0.815 1013 Q CB 3.066 31.823 28.738 0.032 0.000 1.403 1013 Q HN 0.447 nan 8.270 nan 0.000 0.435 1014 I N 1.421 122.101 120.570 0.184 0.000 2.389 1014 I HA 0.321 4.489 4.170 -0.004 0.000 0.288 1014 I C -0.717 175.494 176.117 0.157 0.000 0.999 1014 I CA -0.393 61.007 61.300 0.167 0.000 1.129 1014 I CB 1.947 40.065 38.000 0.197 0.000 1.288 1014 I HN 0.464 nan 8.210 nan 0.000 0.444 1015 T N 6.638 121.262 114.554 0.117 0.000 2.809 1015 T HA 0.333 4.680 4.350 -0.004 0.000 0.296 1015 T C -0.656 174.127 174.700 0.138 0.000 1.015 1015 T CA -0.312 61.855 62.100 0.112 0.000 0.954 1015 T CB 0.605 69.507 68.868 0.056 0.000 0.950 1015 T HN 0.276 nan 8.240 nan 0.000 0.450 1016 F N 5.321 125.280 119.950 0.015 0.000 2.404 1016 F HA 0.481 5.005 4.527 -0.004 0.000 0.354 1016 F C 0.202 176.015 175.800 0.021 0.000 1.122 1016 F CA -1.215 56.785 58.000 0.001 0.000 1.080 1016 F CB 0.710 39.694 39.000 -0.026 0.000 1.131 1016 F HN 0.309 nan 8.300 nan 0.000 0.471 1017 R N 4.582 124.652 120.500 -0.717 0.000 2.198 1017 R HA 0.186 4.524 4.340 -0.004 0.000 0.339 1017 R C -0.663 175.035 176.300 -1.003 0.000 1.020 1017 R CA -0.773 54.960 56.100 -0.613 0.000 0.864 1017 R CB 0.566 30.684 30.300 -0.303 0.000 1.105 1017 R HN 0.617 nan 8.270 nan 0.000 0.463 1018 D N 2.280 122.242 120.400 -0.730 0.000 2.390 1018 D HA 0.020 4.657 4.640 -0.004 0.000 0.236 1018 D C 0.177 176.394 176.300 -0.139 0.000 1.189 1018 D CA -0.117 53.671 54.000 -0.353 0.000 0.887 1018 D CB 0.809 41.633 40.800 0.041 0.000 1.198 1018 D HN 0.315 nan 8.370 nan 0.000 0.444 1019 L N 3.550 124.786 121.223 0.022 0.000 2.490 1019 L HA 0.091 4.429 4.340 -0.004 0.000 0.274 1019 L C -1.002 175.865 176.870 -0.005 0.000 1.201 1019 L CA -1.087 53.768 54.840 0.025 0.000 0.869 1019 L CB 0.386 42.469 42.059 0.041 0.000 1.123 1019 L HN 0.495 nan 8.230 nan 0.000 0.484 1020 P HA -0.129 nan 4.420 nan 0.000 0.219 1020 P C 0.200 177.338 177.300 -0.270 0.000 1.150 1020 P CA 0.777 63.868 63.100 -0.015 0.000 0.814 1020 P CB 0.026 31.811 31.700 0.142 0.000 0.787 1021 D N 0.736 120.882 120.400 -0.423 0.000 2.383 1021 D HA 0.005 4.642 4.640 -0.004 0.000 0.245 1021 D C 1.123 177.339 176.300 -0.139 0.000 1.263 1021 D CA -0.026 53.584 54.000 -0.650 0.000 0.936 1021 D CB 0.349 40.953 40.800 -0.327 0.000 1.053 1021 D HN -0.241 nan 8.370 nan 0.000 0.507 1022 K N 3.076 123.472 120.400 -0.007 0.000 2.362 1022 K HA -0.124 4.194 4.320 -0.004 0.000 0.200 1022 K C 1.535 178.380 176.600 0.409 0.000 1.046 1022 K CA 0.355 56.731 56.287 0.149 0.000 0.952 1022 K CB -0.381 32.141 32.500 0.038 0.000 0.753 1022 K HN 0.532 nan 8.250 nan 0.000 0.466 1023 F N 1.913 122.046 119.950 0.305 0.000 2.325 1023 F HA -0.051 4.473 4.527 -0.003 0.000 0.299 1023 F C 1.139 177.038 175.800 0.164 0.000 1.090 1023 F CA 1.021 59.199 58.000 0.297 0.000 1.392 1023 F CB 0.225 39.347 39.000 0.204 0.000 1.053 1023 F HN 0.012 nan 8.300 nan 0.000 0.521 1024 N N 0.425 119.252 118.700 0.211 0.000 2.203 1024 N HA 0.239 4.977 4.740 -0.004 0.000 0.207 1024 N C 0.249 175.660 175.510 -0.164 0.000 1.130 1024 N CA 0.481 53.541 53.050 0.018 0.000 0.861 1024 N CB 0.412 38.958 38.487 0.097 0.000 1.005 1024 N HN 0.208 nan 8.380 nan 0.000 0.507 1025 A N -0.290 122.468 122.820 -0.104 0.000 2.246 1025 A HA 0.419 4.736 4.320 -0.004 0.000 0.291 1025 A C 0.349 177.818 177.584 -0.193 0.000 1.103 1025 A CA -0.205 51.719 52.037 -0.189 0.000 0.844 1025 A CB 0.295 19.290 19.000 -0.007 0.000 1.136 1025 A HN 0.140 nan 8.150 nan 0.000 0.500 1026 Y N -0.948 119.442 120.300 0.152 0.000 2.476 1026 Y HA 0.211 4.759 4.550 -0.004 0.000 0.283 1026 Y C 0.931 176.912 175.900 0.134 0.000 1.109 1026 Y CA 0.540 58.718 58.100 0.131 0.000 1.246 1026 Y CB 0.051 38.578 38.460 0.112 0.000 1.068 1026 Y HN 0.324 nan 8.280 nan 0.000 0.552 1027 L N 0.144 121.532 121.223 0.274 0.000 3.084 1027 L HA 0.528 4.866 4.340 -0.004 0.000 0.238 1027 L C 0.397 177.334 176.870 0.111 0.000 1.327 1027 L CA -0.211 54.742 54.840 0.187 0.000 1.094 1027 L CB 0.009 42.182 42.059 0.190 0.000 1.477 1027 L HN 0.054 nan 8.230 nan 0.000 0.514 1028 A N 0.616 123.508 122.820 0.120 0.000 3.045 1028 A HA 0.266 4.584 4.320 -0.004 0.000 0.244 1028 A C 0.720 178.448 177.584 0.239 0.000 0.917 1028 A CA -0.275 51.832 52.037 0.117 0.000 1.075 1028 A CB -0.056 19.018 19.000 0.123 0.000 1.202 1028 A HN 0.562 nan 8.150 nan 0.000 0.486 1029 N N -0.626 118.151 118.700 0.128 0.000 3.016 1029 N HA -0.126 4.612 4.740 -0.004 0.000 0.223 1029 N C -0.357 175.247 175.510 0.156 0.000 0.922 1029 N CA 0.914 53.992 53.050 0.047 0.000 0.998 1029 N CB -0.635 37.788 38.487 -0.107 0.000 1.064 1029 N HN 0.674 nan 8.380 nan 0.000 0.566 1030 K N -0.137 120.392 120.400 0.216 0.000 2.166 1030 K HA 0.301 4.618 4.320 -0.004 0.000 0.245 1030 K C -0.693 176.009 176.600 0.171 0.000 0.967 1030 K CA -0.552 55.879 56.287 0.241 0.000 0.863 1030 K CB 0.817 33.434 32.500 0.196 0.000 1.107 1030 K HN 0.046 nan 8.250 nan 0.000 0.436 1031 W N 2.050 123.563 121.300 0.354 0.000 2.253 1031 W HA 0.229 4.886 4.660 -0.004 0.000 0.322 1031 W C 0.057 176.954 176.519 0.629 0.000 1.342 1031 W CA -0.363 57.246 57.345 0.439 0.000 1.218 1031 W CB 0.790 30.416 29.460 0.277 0.000 1.205 1031 W HN 0.206 nan 8.180 nan 0.000 0.551 1032 V N 1.887 122.296 119.914 0.825 0.000 2.876 1032 V HA 0.597 4.715 4.120 -0.004 0.000 0.312 1032 V C -1.345 174.902 176.094 0.254 0.000 1.085 1032 V CA -1.472 61.135 62.300 0.511 0.000 0.945 1032 V CB 1.861 33.862 31.823 0.296 0.000 1.017 1032 V HN 0.336 nan 8.190 nan 0.000 0.428 1033 F N 4.436 124.093 119.950 -0.490 0.000 2.436 1033 F HA 0.811 5.335 4.527 -0.004 0.000 0.340 1033 F C -0.545 174.804 175.800 -0.752 0.000 1.113 1033 F CA -1.300 56.088 58.000 -1.020 0.000 1.022 1033 F CB 1.301 39.323 39.000 -1.630 0.000 1.128 1033 F HN 0.434 nan 8.300 nan 0.000 0.466 1034 I N 4.674 124.401 120.570 -1.404 0.000 2.474 1034 I HA 0.369 4.536 4.170 -0.004 0.000 0.294 1034 I C -0.162 175.124 176.117 -1.385 0.000 1.005 1034 I CA -0.363 60.199 61.300 -1.229 0.000 1.113 1034 I CB 1.596 38.752 38.000 -1.405 0.000 1.289 1034 I HN 0.640 nan 8.210 nan 0.000 0.436 1035 T N 6.579 120.573 114.554 -0.933 0.000 2.933 1035 T HA 0.764 5.111 4.350 -0.004 0.000 0.305 1035 T C -1.167 173.228 174.700 -0.508 0.000 1.092 1035 T CA -0.481 61.182 62.100 -0.728 0.000 1.008 1035 T CB 1.368 69.839 68.868 -0.662 0.000 1.102 1035 T HN 0.365 nan 8.240 nan 0.000 0.469 1036 I N 4.363 124.618 120.570 -0.526 0.000 2.500 1036 I HA 0.349 4.517 4.170 -0.004 0.000 0.286 1036 I C 0.224 175.990 176.117 -0.587 0.000 1.063 1036 I CA -0.939 59.990 61.300 -0.618 0.000 1.062 1036 I CB 2.281 39.635 38.000 -1.077 0.000 1.223 1036 I HN 0.847 nan 8.210 nan 0.000 0.435 1037 T N 2.015 116.326 114.554 -0.406 0.000 2.902 1037 T HA 0.496 4.844 4.350 -0.004 0.000 0.283 1037 T C -0.395 174.073 174.700 -0.387 0.000 1.009 1037 T CA -0.838 61.045 62.100 -0.362 0.000 1.051 1037 T CB 1.673 70.407 68.868 -0.223 0.000 0.999 1037 T HN 0.514 nan 8.240 nan 0.000 0.474 1038 N N 2.504 120.942 118.700 -0.436 0.000 2.491 1038 N HA 0.223 4.960 4.740 -0.004 0.000 0.274 1038 N C -1.791 173.617 175.510 -0.171 0.000 1.023 1038 N CA -0.570 52.267 53.050 -0.354 0.000 0.902 1038 N CB 2.081 40.199 38.487 -0.615 0.000 1.267 1038 N HN 0.728 nan 8.380 nan 0.000 0.503 1039 D N 1.986 122.342 120.400 -0.073 0.000 2.454 1039 D HA 0.138 4.775 4.640 -0.004 0.000 0.225 1039 D C 0.367 176.688 176.300 0.035 0.000 1.081 1039 D CA -0.429 53.566 54.000 -0.009 0.000 0.864 1039 D CB 0.653 41.447 40.800 -0.010 0.000 1.040 1039 D HN 0.143 nan 8.370 nan 0.000 0.517 1040 R N 3.932 124.480 120.500 0.080 0.000 3.457 1040 R HA 0.093 4.430 4.340 -0.004 0.000 0.218 1040 R C 0.369 176.725 176.300 0.094 0.000 1.833 1040 R CA 0.201 56.368 56.100 0.112 0.000 1.554 1040 R CB -0.463 29.940 30.300 0.172 0.000 1.143 1040 R HN 0.612 nan 8.270 nan 0.000 0.557 1041 L N -2.253 119.008 121.223 0.064 0.000 3.857 1041 L HA 0.008 4.346 4.340 -0.004 0.000 0.369 1041 L C 1.148 178.040 176.870 0.037 0.000 1.105 1041 L CA 0.409 55.281 54.840 0.053 0.000 1.360 1041 L CB 0.358 42.445 42.059 0.046 0.000 1.813 1041 L HN 0.216 nan 8.230 nan 0.000 0.630 1042 S N -2.691 113.027 115.700 0.029 0.000 3.952 1042 S HA 0.360 4.828 4.470 -0.004 0.000 0.211 1042 S C 0.432 175.042 174.600 0.016 0.000 1.098 1042 S CA -0.163 58.048 58.200 0.019 0.000 0.954 1042 S CB 1.392 64.597 63.200 0.008 0.000 1.222 1042 S HN 0.010 nan 8.310 nan 0.000 0.585 1043 S N -0.155 115.548 115.700 0.005 0.000 2.565 1043 S HA 0.786 5.253 4.470 -0.004 0.000 0.269 1043 S C -1.656 172.929 174.600 -0.024 0.000 1.153 1043 S CA -0.248 57.951 58.200 -0.003 0.000 0.835 1043 S CB 1.785 64.975 63.200 -0.016 0.000 1.122 1043 S HN 0.957 nan 8.310 nan 0.000 0.462 1044 A N 2.604 125.417 122.820 -0.012 0.000 2.274 1044 A HA 0.731 5.049 4.320 -0.004 0.000 0.309 1044 A C -0.515 177.007 177.584 -0.103 0.000 1.226 1044 A CA -0.550 51.458 52.037 -0.050 0.000 0.853 1044 A CB 0.211 19.262 19.000 0.084 0.000 1.146 1044 A HN 0.680 nan 8.150 nan 0.000 0.518 1045 N N 1.706 120.301 118.700 -0.174 0.000 2.296 1045 N HA 0.415 5.153 4.740 -0.004 0.000 0.294 1045 N C -1.632 173.709 175.510 -0.283 0.000 1.033 1045 N CA -0.470 52.453 53.050 -0.212 0.000 0.839 1045 N CB 2.351 40.754 38.487 -0.139 0.000 1.395 1045 N HN 0.583 nan 8.380 nan 0.000 0.479 1046 L N 2.915 123.908 121.223 -0.383 0.000 2.295 1046 L HA 0.544 4.882 4.340 -0.004 0.000 0.285 1046 L C -1.592 174.969 176.870 -0.515 0.000 1.035 1046 L CA -0.266 54.341 54.840 -0.390 0.000 0.806 1046 L CB 0.406 42.268 42.059 -0.329 0.000 1.214 1046 L HN 0.371 nan 8.230 nan 0.000 0.426 1047 Y N 5.018 125.042 120.300 -0.461 0.000 2.499 1047 Y HA 0.666 5.214 4.550 -0.004 0.000 0.347 1047 Y C -0.317 175.225 175.900 -0.596 0.000 0.987 1047 Y CA -1.005 56.819 58.100 -0.459 0.000 1.044 1047 Y CB 1.932 40.160 38.460 -0.386 0.000 1.245 1047 Y HN 0.328 nan 8.280 nan 0.000 0.461 1048 I N 2.605 122.874 120.570 -0.501 0.000 2.466 1048 I HA 0.206 4.374 4.170 -0.004 0.000 0.289 1048 I C -0.440 175.346 176.117 -0.551 0.000 1.026 1048 I CA -0.937 59.972 61.300 -0.653 0.000 1.078 1048 I CB 1.701 39.105 38.000 -0.993 0.000 1.249 1048 I HN 0.722 nan 8.210 nan 0.000 0.429 1049 N N 4.656 122.982 118.700 -0.623 0.000 2.710 1049 N HA -0.217 4.521 4.740 -0.004 0.000 0.249 1049 N C 1.052 176.160 175.510 -0.669 0.000 1.059 1049 N CA 1.492 53.987 53.050 -0.924 0.000 0.720 1049 N CB -0.881 37.373 38.487 -0.388 0.000 0.983 1049 N HN 1.176 nan 8.380 nan 0.000 0.544 1050 G N -3.295 105.263 108.800 -0.405 0.000 2.176 1050 G HA2 -0.290 3.667 3.960 -0.004 0.000 0.253 1050 G HA3 -0.290 3.667 3.960 -0.004 0.000 0.253 1050 G C -0.092 174.829 174.900 0.035 0.000 0.979 1050 G CA 0.271 45.320 45.100 -0.085 0.000 0.641 1050 G HN 0.521 nan 8.290 nan 0.000 0.530 1051 V N 1.548 121.438 119.914 -0.039 0.000 2.384 1051 V HA 0.595 4.712 4.120 -0.004 0.000 0.287 1051 V C 0.637 176.636 176.094 -0.158 0.000 1.020 1051 V CA -0.936 61.341 62.300 -0.038 0.000 0.850 1051 V CB 1.642 33.433 31.823 -0.053 0.000 0.987 1051 V HN 0.439 nan 8.190 nan 0.000 0.436 1052 L N 6.589 127.671 121.223 -0.235 0.000 2.654 1052 L HA 0.087 4.424 4.340 -0.004 0.000 0.271 1052 L C 0.988 177.613 176.870 -0.409 0.000 1.169 1052 L CA 1.080 55.549 54.840 -0.619 0.000 0.947 1052 L CB 0.217 41.962 42.059 -0.523 0.000 1.232 1052 L HN 0.605 nan 8.230 nan 0.000 0.486 1053 M N 3.683 123.007 119.600 -0.460 0.000 2.414 1053 M HA 0.426 4.903 4.480 -0.004 0.000 0.251 1053 M C 0.763 176.979 176.300 -0.139 0.000 1.116 1053 M CA 0.460 55.577 55.300 -0.305 0.000 1.056 1053 M CB -0.301 31.958 32.600 -0.567 0.000 1.388 1053 M HN 0.678 nan 8.290 nan 0.000 0.487 1054 G N -0.175 108.503 108.800 -0.203 0.000 2.368 1054 G HA2 0.441 4.399 3.960 -0.004 0.000 0.293 1054 G HA3 0.441 4.399 3.960 -0.004 0.000 0.293 1054 G C -1.382 173.436 174.900 -0.138 0.000 1.467 1054 G CA -0.031 45.012 45.100 -0.096 0.000 0.804 1054 G HN 0.219 nan 8.290 nan 0.000 0.535 1055 S N -1.271 114.384 115.700 -0.076 0.000 2.752 1055 S HA 1.015 5.482 4.470 -0.004 0.000 0.284 1055 S C -0.879 173.713 174.600 -0.013 0.000 1.189 1055 S CA 0.292 58.449 58.200 -0.072 0.000 0.835 1055 S CB 1.548 64.682 63.200 -0.110 0.000 1.192 1055 S HN 2.677 nan 8.310 nan 0.000 0.506 1056 A N 0.815 123.635 122.820 0.000 0.000 2.530 1056 A HA 0.654 4.972 4.320 -0.004 0.000 0.297 1056 A C -1.288 176.314 177.584 0.029 0.000 1.059 1056 A CA -0.651 51.403 52.037 0.028 0.000 0.782 1056 A CB 0.916 19.956 19.000 0.066 0.000 1.301 1056 A HN 0.782 nan 8.150 nan 0.000 0.394 1057 E N 0.987 121.202 120.200 0.025 0.000 2.376 1057 E HA 0.334 4.682 4.350 -0.004 0.000 0.266 1057 E C 0.638 177.263 176.600 0.042 0.000 1.009 1057 E CA 0.486 56.903 56.400 0.028 0.000 0.902 1057 E CB 0.471 30.185 29.700 0.022 0.000 0.972 1057 E HN 0.614 nan 8.360 nan 0.000 0.439 1058 I N -0.850 119.749 120.570 0.048 0.000 3.833 1058 I HA 0.236 4.404 4.170 -0.004 0.000 0.328 1058 I C 0.322 176.475 176.117 0.060 0.000 1.554 1058 I CA -0.484 60.853 61.300 0.062 0.000 1.116 1058 I CB 1.022 39.072 38.000 0.083 0.000 1.182 1058 I HN 0.162 nan 8.210 nan 0.000 0.459 1059 T N 1.830 116.414 114.554 0.050 0.000 2.814 1059 T HA 0.488 4.836 4.350 -0.004 0.000 0.297 1059 T C 1.160 175.890 174.700 0.049 0.000 0.956 1059 T CA 1.295 63.426 62.100 0.051 0.000 1.123 1059 T CB 0.843 69.735 68.868 0.041 0.000 0.902 1059 T HN 0.827 nan 8.240 nan 0.000 0.528 1060 G N 3.762 112.596 108.800 0.057 0.000 2.307 1060 G HA2 -0.165 3.793 3.960 -0.004 0.000 0.210 1060 G HA3 -0.165 3.793 3.960 -0.004 0.000 0.210 1060 G C 0.166 175.097 174.900 0.051 0.000 1.005 1060 G CA -0.441 44.689 45.100 0.051 0.000 0.634 1060 G HN 0.691 nan 8.290 nan 0.000 0.496 1061 L N 1.508 122.761 121.223 0.051 0.000 2.483 1061 L HA 0.492 4.829 4.340 -0.004 0.000 0.276 1061 L C 1.702 178.594 176.870 0.036 0.000 1.213 1061 L CA 0.588 55.450 54.840 0.037 0.000 0.843 1061 L CB 0.724 42.807 42.059 0.039 0.000 1.107 1061 L HN 0.350 nan 8.230 nan 0.000 0.487 1062 G N 1.203 110.001 108.800 -0.004 0.000 3.227 1062 G HA2 0.535 4.492 3.960 -0.004 0.000 0.171 1062 G HA3 0.535 4.492 3.960 -0.004 0.000 0.171 1062 G C -0.349 174.399 174.900 -0.253 0.000 1.463 1062 G CA 0.013 45.093 45.100 -0.033 0.000 1.016 1062 G HN 0.777 nan 8.290 nan 0.000 0.594 1063 A N -0.623 121.963 122.820 -0.389 0.000 2.498 1063 A HA 0.508 4.826 4.320 -0.004 0.000 0.239 1063 A C -0.156 177.221 177.584 -0.345 0.000 1.068 1063 A CA 0.304 51.973 52.037 -0.612 0.000 0.766 1063 A CB -0.246 18.494 19.000 -0.434 0.000 1.003 1063 A HN 0.442 nan 8.150 nan 0.000 0.497 1064 I N 3.486 123.840 120.570 -0.360 0.000 2.714 1064 I HA 0.170 4.337 4.170 -0.004 0.000 0.276 1064 I C 0.285 176.255 176.117 -0.245 0.000 1.196 1064 I CA -0.258 60.920 61.300 -0.203 0.000 1.068 1064 I CB 0.485 38.439 38.000 -0.077 0.000 1.291 1064 I HN 0.763 nan 8.210 nan 0.000 0.530 1065 R N 2.825 123.181 120.500 -0.240 0.000 2.652 1065 R HA 0.548 4.886 4.340 -0.004 0.000 0.271 1065 R C -0.331 175.842 176.300 -0.211 0.000 1.129 1065 R CA -0.452 55.498 56.100 -0.250 0.000 1.200 1065 R CB 0.951 31.134 30.300 -0.195 0.000 1.146 1065 R HN 0.435 nan 8.270 nan 0.000 0.581 1066 E N -0.322 119.759 120.200 -0.199 0.000 2.392 1066 E HA 0.119 4.467 4.350 -0.004 0.000 0.269 1066 E C -1.438 175.042 176.600 -0.200 0.000 0.924 1066 E CA -0.805 55.466 56.400 -0.215 0.000 0.784 1066 E CB 1.793 31.372 29.700 -0.202 0.000 1.292 1066 E HN 0.386 nan 8.360 nan 0.000 0.447 1067 D N 0.314 120.571 120.400 -0.240 0.000 2.368 1067 D HA -0.013 4.625 4.640 -0.004 0.000 0.240 1067 D C 0.818 177.033 176.300 -0.142 0.000 1.169 1067 D CA 0.211 54.089 54.000 -0.202 0.000 0.906 1067 D CB 0.649 41.315 40.800 -0.223 0.000 1.187 1067 D HN 0.416 nan 8.370 nan 0.000 0.435 1068 N N 1.386 120.021 118.700 -0.108 0.000 2.512 1068 N HA -0.108 4.629 4.740 -0.004 0.000 0.183 1068 N C -0.365 175.129 175.510 -0.027 0.000 1.073 1068 N CA 0.296 53.309 53.050 -0.062 0.000 0.911 1068 N CB -0.153 38.293 38.487 -0.068 0.000 0.964 1068 N HN 0.224 nan 8.380 nan 0.000 0.447 1069 N N 0.815 119.484 118.700 -0.052 0.000 2.361 1069 N HA 0.450 5.187 4.740 -0.004 0.000 0.302 1069 N C -0.971 174.494 175.510 -0.075 0.000 1.074 1069 N CA -0.472 52.578 53.050 -0.000 0.000 0.850 1069 N CB 1.974 40.466 38.487 0.009 0.000 1.228 1069 N HN -0.020 nan 8.380 nan 0.000 0.491 1070 I N 0.941 121.487 120.570 -0.041 0.000 2.362 1070 I HA 0.247 4.415 4.170 -0.004 0.000 0.289 1070 I C -0.137 175.903 176.117 -0.128 0.000 0.994 1070 I CA -0.309 60.925 61.300 -0.110 0.000 1.158 1070 I CB 1.429 39.430 38.000 0.002 0.000 1.315 1070 I HN 0.257 nan 8.210 nan 0.000 0.451 1071 T N 7.368 121.810 114.554 -0.185 0.000 2.743 1071 T HA 0.504 4.851 4.350 -0.004 0.000 0.292 1071 T C -0.300 174.292 174.700 -0.179 0.000 0.972 1071 T CA -0.433 61.571 62.100 -0.159 0.000 0.967 1071 T CB 0.610 69.382 68.868 -0.160 0.000 0.926 1071 T HN 0.100 nan 8.240 nan 0.000 0.459 1072 L N 4.637 125.761 121.223 -0.165 0.000 2.255 1072 L HA 0.640 4.977 4.340 -0.004 0.000 0.289 1072 L C 0.080 176.885 176.870 -0.108 0.000 1.046 1072 L CA 0.152 54.894 54.840 -0.163 0.000 0.816 1072 L CB 0.440 42.392 42.059 -0.177 0.000 1.197 1072 L HN 0.617 nan 8.230 nan 0.000 0.427 1073 K N 3.070 123.415 120.400 -0.092 0.000 2.675 1073 K HA 0.338 4.655 4.320 -0.004 0.000 0.280 1073 K C -1.742 174.833 176.600 -0.041 0.000 0.993 1073 K CA -0.778 55.464 56.287 -0.076 0.000 0.863 1073 K CB 1.036 33.472 32.500 -0.108 0.000 1.438 1073 K HN 0.334 nan 8.250 nan 0.000 0.389 1074 L N 3.024 124.224 121.223 -0.038 0.000 2.433 1074 L HA 0.215 4.552 4.340 -0.004 0.000 0.275 1074 L C -0.564 176.283 176.870 -0.037 0.000 1.128 1074 L CA 0.210 55.040 54.840 -0.017 0.000 0.875 1074 L CB 0.391 42.387 42.059 -0.104 0.000 1.171 1074 L HN 0.624 nan 8.230 nan 0.000 0.463 1075 D N 3.351 123.768 120.400 0.028 0.000 2.696 1075 D HA 0.381 5.019 4.640 -0.004 0.000 0.251 1075 D C -0.187 176.131 176.300 0.030 0.000 1.188 1075 D CA -0.427 53.569 54.000 -0.006 0.000 0.876 1075 D CB 0.907 41.693 40.800 -0.024 0.000 1.334 1075 D HN 0.381 nan 8.370 nan 0.000 0.540 1076 R N 1.009 121.495 120.500 -0.024 0.000 3.654 1076 R HA -0.154 4.184 4.340 -0.004 0.000 0.302 1076 R C -0.742 175.541 176.300 -0.029 0.000 1.166 1076 R CA 0.403 56.494 56.100 -0.014 0.000 0.810 1076 R CB -2.371 27.941 30.300 0.021 0.000 1.323 1076 R HN 0.444 nan 8.270 nan 0.000 0.478 1077 C N 1.004 120.194 119.300 -0.183 0.000 2.285 1077 C HA 0.338 4.795 4.460 -0.004 0.000 0.335 1077 C C 1.367 176.126 174.990 -0.384 0.000 1.267 1077 C CA -0.815 57.940 59.018 -0.437 0.000 1.762 1077 C CB 0.301 27.469 27.740 -0.953 0.000 2.365 1077 C HN 0.416 nan 8.230 nan 0.000 0.527 1078 N N 3.432 121.911 118.700 -0.368 0.000 2.461 1078 N HA -0.002 4.735 4.740 -0.004 0.000 0.188 1078 N C -0.203 174.880 175.510 -0.712 0.000 1.134 1078 N CA 0.474 53.303 53.050 -0.369 0.000 0.878 1078 N CB -0.200 38.202 38.487 -0.141 0.000 0.972 1078 N HN 0.761 nan 8.380 nan 0.000 0.456 1079 N N 1.175 119.316 118.700 -0.932 0.000 2.444 1079 N HA 0.095 4.832 4.740 -0.004 0.000 0.262 1079 N C 0.339 175.520 175.510 -0.548 0.000 0.974 1079 N CA -0.427 51.996 53.050 -1.044 0.000 0.933 1079 N CB 0.322 38.062 38.487 -1.246 0.000 1.137 1079 N HN 0.139 nan 8.380 nan 0.000 0.498 1080 N N 2.138 120.625 118.700 -0.355 0.000 2.521 1080 N HA -0.042 4.696 4.740 -0.004 0.000 0.188 1080 N C -0.150 175.267 175.510 -0.155 0.000 1.146 1080 N CA -0.060 52.861 53.050 -0.214 0.000 0.893 1080 N CB 0.201 38.610 38.487 -0.130 0.000 0.975 1080 N HN 0.374 nan 8.380 nan 0.000 0.451 1081 N N 0.534 119.114 118.700 -0.199 0.000 2.282 1081 N HA -0.020 4.718 4.740 -0.004 0.000 0.185 1081 N C 0.189 175.603 175.510 -0.161 0.000 1.099 1081 N CA 0.167 53.157 53.050 -0.100 0.000 0.878 1081 N CB 0.277 38.751 38.487 -0.022 0.000 0.993 1081 N HN 0.286 nan 8.380 nan 0.000 0.481 1082 Q N 1.121 120.748 119.800 -0.288 0.000 2.432 1082 Q HA 0.079 4.417 4.340 -0.004 0.000 0.264 1082 Q C -1.028 174.859 176.000 -0.189 0.000 1.035 1082 Q CA 0.387 55.991 55.803 -0.332 0.000 0.908 1082 Q CB 0.166 28.664 28.738 -0.400 0.000 1.280 1082 Q HN 0.291 nan 8.270 nan 0.000 0.455 1083 Y N -0.310 119.915 120.300 -0.125 0.000 2.641 1083 Y HA 0.640 5.188 4.550 -0.004 0.000 0.333 1083 Y C -1.518 174.308 175.900 -0.123 0.000 1.174 1083 Y CA -1.201 56.797 58.100 -0.171 0.000 1.057 1083 Y CB 0.168 38.502 38.460 -0.209 0.000 1.322 1083 Y HN 0.483 nan 8.280 nan 0.000 0.457 1084 V N -1.287 118.704 119.914 0.128 0.000 3.182 1084 V HA 0.972 5.090 4.120 -0.004 0.000 0.308 1084 V C -0.966 175.174 176.094 0.076 0.000 1.240 1084 V CA -0.922 61.457 62.300 0.131 0.000 1.063 1084 V CB 1.797 33.687 31.823 0.113 0.000 1.076 1084 V HN 1.005 nan 8.190 nan 0.000 0.446 1085 S N 1.249 117.033 115.700 0.139 0.000 2.538 1085 S HA 0.860 5.328 4.470 -0.004 0.000 0.288 1085 S C -0.806 174.010 174.600 0.361 0.000 1.108 1085 S CA -0.430 57.920 58.200 0.249 0.000 0.971 1085 S CB 1.337 64.694 63.200 0.262 0.000 1.041 1085 S HN 0.753 nan 8.310 nan 0.000 0.483 1086 I N 2.147 122.973 120.570 0.427 0.000 2.619 1086 I HA 0.538 4.705 4.170 -0.004 0.000 0.292 1086 I C -1.291 175.093 176.117 0.446 0.000 1.100 1086 I CA -0.439 61.133 61.300 0.453 0.000 1.043 1086 I CB 2.360 40.486 38.000 0.211 0.000 1.239 1086 I HN 0.499 nan 8.210 nan 0.000 0.420 1087 D N 4.830 125.534 120.400 0.507 0.000 2.602 1087 D HA 0.359 4.997 4.640 -0.004 0.000 0.236 1087 D C -0.721 175.800 176.300 0.367 0.000 1.209 1087 D CA -0.378 53.814 54.000 0.321 0.000 0.831 1087 D CB 1.524 42.364 40.800 0.067 0.000 1.478 1087 D HN 0.353 nan 8.370 nan 0.000 0.438 1088 K N 1.401 121.948 120.400 0.245 0.000 3.012 1088 K HA -0.250 4.067 4.320 -0.004 0.000 0.259 1088 K C -0.057 176.721 176.600 0.297 0.000 0.989 1088 K CA 0.265 56.695 56.287 0.237 0.000 0.728 1088 K CB -2.351 30.228 32.500 0.132 0.000 1.260 1088 K HN 0.454 nan 8.250 nan 0.000 0.480 1089 F N 1.717 121.804 119.950 0.228 0.000 2.580 1089 F HA -0.064 4.460 4.527 -0.004 0.000 0.398 1089 F C 0.915 176.815 175.800 0.168 0.000 1.023 1089 F CA 0.887 59.019 58.000 0.219 0.000 1.188 1089 F CB 0.284 39.370 39.000 0.144 0.000 1.005 1089 F HN 0.199 nan 8.300 nan 0.000 0.546 1090 R N 6.940 127.019 120.500 -0.701 0.000 2.651 1090 R HA 0.633 4.970 4.340 -0.004 0.000 0.278 1090 R C -1.837 174.123 176.300 -0.567 0.000 1.010 1090 R CA -0.735 55.089 56.100 -0.461 0.000 0.896 1090 R CB 1.273 31.441 30.300 -0.221 0.000 1.211 1090 R HN 0.719 nan 8.270 nan 0.000 0.456 1091 I N 4.311 124.620 120.570 -0.435 0.000 2.465 1091 I HA 0.400 4.567 4.170 -0.004 0.000 0.291 1091 I C -0.884 175.029 176.117 -0.340 0.000 1.014 1091 I CA -0.772 60.370 61.300 -0.264 0.000 1.093 1091 I CB 1.689 39.676 38.000 -0.022 0.000 1.267 1091 I HN 0.458 nan 8.210 nan 0.000 0.431 1092 F N 3.504 123.487 119.950 0.055 0.000 2.440 1092 F HA 0.270 4.794 4.527 -0.004 0.000 0.328 1092 F C 1.135 177.016 175.800 0.135 0.000 1.070 1092 F CA -0.710 57.339 58.000 0.082 0.000 1.011 1092 F CB 1.198 40.221 39.000 0.038 0.000 1.226 1092 F HN 0.523 nan 8.300 nan 0.000 0.491 1093 c N -0.032 118.771 118.600 0.338 0.000 2.396 1093 c HA 0.603 5.170 4.570 -0.004 0.000 0.334 1093 c C -0.094 174.150 174.090 0.257 0.000 1.313 1093 c CA -0.606 55.897 56.329 0.289 0.000 1.719 1093 c CB -2.396 40.290 42.510 0.294 0.000 1.893 1093 c HN 0.816 nan 8.230 nan 0.000 0.589 1094 K N -0.725 119.815 120.400 0.233 0.000 2.571 1094 K HA 0.706 5.024 4.320 -0.004 0.000 0.289 1094 K C -1.263 175.368 176.600 0.053 0.000 1.028 1094 K CA -0.122 56.247 56.287 0.136 0.000 0.895 1094 K CB 0.685 33.251 32.500 0.110 0.000 1.534 1094 K HN 0.076 nan 8.250 nan 0.000 0.421 1095 A N 2.331 125.148 122.820 -0.005 0.000 2.316 1095 A HA 0.454 4.772 4.320 -0.004 0.000 0.311 1095 A C -0.229 177.284 177.584 -0.119 0.000 1.339 1095 A CA -0.804 51.184 52.037 -0.081 0.000 0.960 1095 A CB -0.546 18.410 19.000 -0.074 0.000 1.152 1095 A HN 0.579 nan 8.150 nan 0.000 0.547 1096 L N 2.518 123.620 121.223 -0.202 0.000 2.514 1096 L HA 0.022 4.360 4.340 -0.004 0.000 0.280 1096 L C 0.750 177.481 176.870 -0.231 0.000 1.223 1096 L CA -0.192 54.487 54.840 -0.268 0.000 0.864 1096 L CB 0.070 41.871 42.059 -0.429 0.000 1.118 1096 L HN 0.959 nan 8.230 nan 0.000 0.494 1097 N N 2.689 121.273 118.700 -0.193 0.000 2.476 1097 N HA 0.312 5.050 4.740 -0.004 0.000 0.275 1097 N C -2.257 173.137 175.510 -0.193 0.000 1.190 1097 N CA -1.619 51.341 53.050 -0.149 0.000 0.977 1097 N CB 0.316 38.748 38.487 -0.092 0.000 1.200 1097 N HN 0.151 nan 8.380 nan 0.000 0.515 1098 P HA -0.197 nan 4.420 nan 0.000 0.215 1098 P C 0.660 177.884 177.300 -0.127 0.000 1.157 1098 P CA 1.909 64.927 63.100 -0.136 0.000 0.874 1098 P CB 0.116 31.809 31.700 -0.011 0.000 0.790 1099 K N -0.116 120.231 120.400 -0.088 0.000 2.044 1099 K HA -0.211 4.106 4.320 -0.004 0.000 0.210 1099 K C 2.092 178.633 176.600 -0.099 0.000 1.049 1099 K CA 1.751 57.994 56.287 -0.074 0.000 0.927 1099 K CB -0.477 31.988 32.500 -0.057 0.000 0.713 1099 K HN 0.270 nan 8.250 nan 0.000 0.443 1100 E N 0.516 120.635 120.200 -0.136 0.000 2.106 1100 E HA -0.148 4.200 4.350 -0.004 0.000 0.192 1100 E C 1.972 178.458 176.600 -0.191 0.000 0.984 1100 E CA 0.771 57.072 56.400 -0.164 0.000 0.806 1100 E CB -0.073 29.503 29.700 -0.207 0.000 0.750 1100 E HN 0.174 nan 8.360 nan 0.000 0.458 1101 I N 1.233 121.657 120.570 -0.245 0.000 2.208 1101 I HA -0.294 3.873 4.170 -0.004 0.000 0.245 1101 I C 2.457 178.527 176.117 -0.077 0.000 1.097 1101 I CA 1.512 62.660 61.300 -0.254 0.000 1.363 1101 I CB -0.195 37.505 38.000 -0.501 0.000 1.051 1101 I HN 0.090 nan 8.210 nan 0.000 0.413 1102 E N 1.131 121.297 120.200 -0.057 0.000 2.051 1102 E HA -0.301 4.046 4.350 -0.004 0.000 0.192 1102 E C 2.141 178.750 176.600 0.014 0.000 0.991 1102 E CA 1.692 58.115 56.400 0.039 0.000 0.799 1102 E CB -0.208 29.508 29.700 0.026 0.000 0.748 1102 E HN 0.229 nan 8.360 nan 0.000 0.449 1103 K N 0.264 120.639 120.400 -0.041 0.000 2.147 1103 K HA -0.035 4.283 4.320 -0.004 0.000 0.205 1103 K C 2.077 178.629 176.600 -0.080 0.000 1.049 1103 K CA 1.151 57.400 56.287 -0.065 0.000 0.936 1103 K CB -0.409 32.049 32.500 -0.070 0.000 0.722 1103 K HN 0.335 nan 8.250 nan 0.000 0.446 1104 L N -0.088 121.103 121.223 -0.054 0.000 2.109 1104 L HA -0.150 4.188 4.340 -0.004 0.000 0.207 1104 L C 2.062 178.887 176.870 -0.075 0.000 1.086 1104 L CA 1.415 56.227 54.840 -0.046 0.000 0.760 1104 L CB -0.417 41.678 42.059 0.060 0.000 0.910 1104 L HN 0.319 nan 8.230 nan 0.000 0.437 1105 Y N 1.284 121.480 120.300 -0.174 0.000 2.163 1105 Y HA -0.242 4.305 4.550 -0.004 0.000 0.288 1105 Y C 2.745 178.570 175.900 -0.126 0.000 1.136 1105 Y CA 2.081 59.987 58.100 -0.323 0.000 1.147 1105 Y CB -0.941 37.454 38.460 -0.108 0.000 0.987 1105 Y HN 0.297 nan 8.280 nan 0.000 0.509 1106 T N -1.947 112.430 114.554 -0.295 0.000 3.118 1106 T HA -0.046 4.302 4.350 -0.004 0.000 0.260 1106 T C 1.946 176.546 174.700 -0.168 0.000 1.139 1106 T CA 0.809 62.728 62.100 -0.302 0.000 1.085 1106 T CB -0.900 67.821 68.868 -0.245 0.000 0.934 1106 T HN 0.442 nan 8.240 nan 0.000 0.518 1107 S N 0.238 115.815 115.700 -0.204 0.000 2.447 1107 S HA -0.049 4.418 4.470 -0.004 0.000 0.233 1107 S C 1.427 175.871 174.600 -0.259 0.000 1.006 1107 S CA 0.145 58.190 58.200 -0.259 0.000 0.957 1107 S CB -0.800 62.180 63.200 -0.367 0.000 0.773 1107 S HN 0.578 nan 8.310 nan 0.000 0.507 1108 Y N 1.147 121.443 120.300 -0.007 0.000 2.523 1108 Y HA 0.444 4.992 4.550 -0.004 0.000 0.279 1108 Y C 1.305 177.184 175.900 -0.035 0.000 1.139 1108 Y CA -0.277 57.838 58.100 0.025 0.000 1.296 1108 Y CB -0.140 38.450 38.460 0.215 0.000 1.045 1108 Y HN 0.235 nan 8.280 nan 0.000 0.538 1109 L N 0.828 122.095 121.223 0.074 0.000 2.805 1109 L HA 0.132 4.469 4.340 -0.004 0.000 0.237 1109 L C 0.730 177.600 176.870 0.001 0.000 1.252 1109 L CA -0.447 54.411 54.840 0.029 0.000 1.064 1109 L CB -0.939 41.111 42.059 -0.015 0.000 1.361 1109 L HN 0.095 nan 8.230 nan 0.000 0.474 1110 S N 0.408 116.110 115.700 0.003 0.000 2.536 1110 S HA 0.044 4.512 4.470 -0.004 0.000 0.290 1110 S C -0.196 174.411 174.600 0.012 0.000 1.302 1110 S CA -0.106 58.097 58.200 0.006 0.000 1.037 1110 S CB 0.300 63.516 63.200 0.028 0.000 0.804 1110 S HN 0.182 nan 8.310 nan 0.000 0.506 1111 I N 2.144 122.715 120.570 0.003 0.000 2.382 1111 I HA 0.578 4.745 4.170 -0.004 0.000 0.286 1111 I C 0.727 176.827 176.117 -0.027 0.000 1.002 1111 I CA -0.113 61.183 61.300 -0.007 0.000 1.135 1111 I CB 1.590 39.579 38.000 -0.018 0.000 1.288 1111 I HN 0.904 nan 8.210 nan 0.000 0.448 1112 T N 3.037 117.563 114.554 -0.046 0.000 3.978 1112 T HA 0.196 4.544 4.350 -0.004 0.000 0.312 1112 T C -0.418 174.087 174.700 -0.326 0.000 0.873 1112 T CA -0.055 61.936 62.100 -0.181 0.000 1.238 1112 T CB -0.187 68.581 68.868 -0.167 0.000 0.981 1112 T HN 0.109 nan 8.240 nan 0.000 0.468 1113 F N 2.678 122.604 119.950 -0.040 0.000 2.421 1113 F HA 0.666 5.191 4.527 -0.004 0.000 0.337 1113 F C 0.526 176.255 175.800 -0.117 0.000 1.105 1113 F CA -1.084 56.873 58.000 -0.072 0.000 1.049 1113 F CB 0.595 39.535 39.000 -0.101 0.000 1.139 1113 F HN 0.094 nan 8.300 nan 0.000 0.479 1114 L N 2.815 124.045 121.223 0.012 0.000 2.470 1114 L HA 0.503 4.841 4.340 -0.004 0.000 0.243 1114 L C 0.164 176.979 176.870 -0.092 0.000 1.227 1114 L CA -0.681 54.120 54.840 -0.065 0.000 0.824 1114 L CB 0.443 42.411 42.059 -0.151 0.000 1.175 1114 L HN 0.588 nan 8.230 nan 0.000 0.503 1115 R N -0.369 120.076 120.500 -0.092 0.000 2.725 1115 R HA 0.278 4.615 4.340 -0.004 0.000 0.277 1115 R C -1.424 174.851 176.300 -0.041 0.000 0.987 1115 R CA -0.874 55.166 56.100 -0.099 0.000 0.901 1115 R CB 2.011 32.241 30.300 -0.117 0.000 1.207 1115 R HN 0.690 nan 8.270 nan 0.000 0.463 1116 D N 0.661 121.058 120.400 -0.006 0.000 2.451 1116 D HA -0.033 4.604 4.640 -0.004 0.000 0.259 1116 D C 0.686 177.083 176.300 0.162 0.000 1.201 1116 D CA -0.548 53.521 54.000 0.116 0.000 1.028 1116 D CB 0.359 41.322 40.800 0.272 0.000 1.095 1116 D HN 0.414 nan 8.370 nan 0.000 0.539 1117 F N -0.696 119.218 119.950 -0.060 0.000 2.333 1117 F HA 0.026 4.550 4.527 -0.004 0.000 0.300 1117 F C 1.207 176.854 175.800 -0.255 0.000 1.083 1117 F CA 0.773 58.614 58.000 -0.265 0.000 1.395 1117 F CB -0.085 38.517 39.000 -0.663 0.000 1.056 1117 F HN 0.377 nan 8.300 nan 0.000 0.529 1118 W N -0.044 121.303 121.300 0.079 0.000 3.003 1118 W HA 0.303 4.961 4.660 -0.003 0.000 0.257 1118 W C 1.760 178.264 176.519 -0.025 0.000 1.308 1118 W CA 0.475 57.810 57.345 -0.016 0.000 1.529 1118 W CB -0.215 29.289 29.460 0.073 0.000 1.115 1118 W HN 0.136 nan 8.180 nan 0.000 0.659 1119 G N 0.809 109.577 108.800 -0.055 0.000 2.132 1119 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.228 1119 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.228 1119 G C -0.030 174.745 174.900 -0.208 0.000 1.000 1119 G CA -0.421 44.293 45.100 -0.644 0.000 0.693 1119 G HN 0.159 nan 8.290 nan 0.000 0.515 1120 N N 0.650 119.366 118.700 0.027 0.000 2.458 1120 N HA 0.548 5.285 4.740 -0.004 0.000 0.271 1120 N C -2.677 172.745 175.510 -0.148 0.000 1.210 1120 N CA -1.487 51.557 53.050 -0.009 0.000 0.978 1120 N CB 0.990 39.558 38.487 0.134 0.000 1.206 1120 N HN 0.034 nan 8.380 nan 0.000 0.536 1121 P HA 0.146 nan 4.420 nan 0.000 0.271 1121 P C 0.043 177.179 177.300 -0.273 0.000 1.216 1121 P CA -0.118 62.729 63.100 -0.422 0.000 0.776 1121 P CB 0.675 31.791 31.700 -0.974 0.000 0.881 1122 L N 4.149 125.249 121.223 -0.204 0.000 2.456 1122 L HA 0.173 4.510 4.340 -0.004 0.000 0.272 1122 L C 1.048 177.877 176.870 -0.068 0.000 1.189 1122 L CA 0.423 55.170 54.840 -0.154 0.000 0.846 1122 L CB 0.167 42.028 42.059 -0.330 0.000 1.111 1122 L HN 0.397 nan 8.230 nan 0.000 0.475 1123 R N 2.284 122.837 120.500 0.087 0.000 2.837 1123 R HA 0.409 4.746 4.340 -0.004 0.000 0.271 1123 R C -1.521 174.847 176.300 0.113 0.000 0.993 1123 R CA -1.003 55.172 56.100 0.126 0.000 0.931 1123 R CB 1.504 31.965 30.300 0.267 0.000 1.206 1123 R HN 0.245 nan 8.270 nan 0.000 0.474 1124 Y N 1.134 121.581 120.300 0.244 0.000 2.336 1124 Y HA 0.015 4.562 4.550 -0.004 0.000 0.331 1124 Y C 0.754 176.762 175.900 0.180 0.000 1.211 1124 Y CA 0.176 58.399 58.100 0.205 0.000 1.346 1124 Y CB 0.520 39.076 38.460 0.160 0.000 1.271 1124 Y HN 0.690 nan 8.280 nan 0.000 0.538 1125 D N 0.057 120.663 120.400 0.344 0.000 2.837 1125 D HA -0.194 4.443 4.640 -0.004 0.000 0.230 1125 D C -0.179 176.203 176.300 0.135 0.000 1.152 1125 D CA 1.327 55.447 54.000 0.200 0.000 0.736 1125 D CB -1.110 39.776 40.800 0.144 0.000 1.084 1125 D HN 0.534 nan 8.370 nan 0.000 0.429 1126 T N -1.757 112.885 114.554 0.147 0.000 2.893 1126 T HA 0.402 4.749 4.350 -0.004 0.000 0.293 1126 T C -0.353 174.272 174.700 -0.124 0.000 1.027 1126 T CA -0.720 61.368 62.100 -0.021 0.000 0.988 1126 T CB 2.492 71.315 68.868 -0.075 0.000 1.043 1126 T HN -0.009 nan 8.240 nan 0.000 0.461 1127 E N 2.322 122.405 120.200 -0.195 0.000 2.344 1127 E HA 0.291 4.638 4.350 -0.004 0.000 0.270 1127 E C -1.227 175.180 176.600 -0.322 0.000 1.021 1127 E CA -0.011 56.284 56.400 -0.175 0.000 0.887 1127 E CB 0.525 30.125 29.700 -0.167 0.000 0.997 1127 E HN 0.561 nan 8.360 nan 0.000 0.429 1128 Y N 1.378 121.705 120.300 0.045 0.000 2.457 1128 Y HA 0.258 4.806 4.550 -0.004 0.000 0.343 1128 Y C -0.853 175.040 175.900 -0.012 0.000 0.994 1128 Y CA -0.911 57.254 58.100 0.110 0.000 1.031 1128 Y CB 1.151 39.798 38.460 0.311 0.000 1.246 1128 Y HN 0.416 nan 8.280 nan 0.000 0.449 1129 Y N 3.146 123.642 120.300 0.326 0.000 2.313 1129 Y HA 0.446 4.994 4.550 -0.004 0.000 0.332 1129 Y C -0.060 175.905 175.900 0.108 0.000 1.071 1129 Y CA -0.697 57.543 58.100 0.232 0.000 1.169 1129 Y CB 0.745 39.311 38.460 0.177 0.000 1.192 1129 Y HN 0.300 nan 8.280 nan 0.000 0.487 1130 L N 5.323 126.651 121.223 0.175 0.000 2.312 1130 L HA 0.501 4.839 4.340 -0.004 0.000 0.281 1130 L C -0.441 176.547 176.870 0.197 0.000 1.070 1130 L CA -0.403 54.404 54.840 -0.054 0.000 0.805 1130 L CB 0.912 42.681 42.059 -0.484 0.000 1.174 1130 L HN 0.585 nan 8.230 nan 0.000 0.434 1131 I N 4.422 125.163 120.570 0.285 0.000 2.512 1131 I HA 0.283 4.451 4.170 -0.004 0.000 0.287 1131 I C -2.399 173.860 176.117 0.238 0.000 1.069 1131 I CA -1.942 59.530 61.300 0.286 0.000 1.056 1131 I CB 2.857 40.995 38.000 0.229 0.000 1.229 1131 I HN 0.315 nan 8.210 nan 0.000 0.429 1132 P HA 0.084 nan 4.420 nan 0.000 0.276 1132 P C 0.985 178.082 177.300 -0.340 0.000 1.243 1132 P CA -0.084 62.654 63.100 -0.603 0.000 0.768 1132 P CB 1.475 32.687 31.700 -0.813 0.000 0.856 1133 V N 3.784 123.404 119.914 -0.490 0.000 2.453 1133 V HA -0.304 3.814 4.120 -0.004 0.000 0.252 1133 V C 2.499 178.499 176.094 -0.156 0.000 1.068 1133 V CA 2.799 64.877 62.300 -0.371 0.000 1.070 1133 V CB -1.531 30.004 31.823 -0.480 0.000 0.664 1133 V HN 0.632 nan 8.190 nan 0.000 0.461 1134 A N -0.203 122.481 122.820 -0.226 0.000 2.014 1134 A HA 0.018 4.336 4.320 -0.004 0.000 0.218 1134 A C 1.356 178.882 177.584 -0.097 0.000 1.163 1134 A CA 1.267 53.218 52.037 -0.144 0.000 0.652 1134 A CB -0.109 18.788 19.000 -0.171 0.000 0.808 1134 A HN 0.642 nan 8.150 nan 0.000 0.449 1135 S N -0.451 115.181 115.700 -0.114 0.000 2.312 1135 S HA 0.308 4.775 4.470 -0.004 0.000 0.173 1135 S C 0.337 174.894 174.600 -0.072 0.000 1.488 1135 S CA 0.055 58.208 58.200 -0.077 0.000 1.239 1135 S CB 0.713 63.865 63.200 -0.080 0.000 1.215 1135 S HN 0.516 nan 8.310 nan 0.000 0.438 1136 S N 0.715 116.383 115.700 -0.055 0.000 2.561 1136 S HA -0.003 4.464 4.470 -0.004 0.000 0.225 1136 S C 1.139 175.540 174.600 -0.332 0.000 0.977 1136 S CA 0.197 58.332 58.200 -0.110 0.000 0.926 1136 S CB -0.331 62.890 63.200 0.035 0.000 0.769 1136 S HN 0.522 nan 8.310 nan 0.000 0.533 1137 S N 1.350 116.920 115.700 -0.217 0.000 2.605 1137 S HA 0.237 4.705 4.470 -0.004 0.000 0.217 1137 S C 0.092 174.632 174.600 -0.099 0.000 0.958 1137 S CA -0.247 57.841 58.200 -0.186 0.000 0.919 1137 S CB 0.056 63.186 63.200 -0.117 0.000 0.780 1137 S HN 0.376 nan 8.310 nan 0.000 0.507 1138 K N 2.222 122.581 120.400 -0.067 0.000 2.123 1138 K HA 0.514 4.831 4.320 -0.004 0.000 0.259 1138 K C -0.708 175.896 176.600 0.008 0.000 0.960 1138 K CA -0.619 55.658 56.287 -0.016 0.000 0.872 1138 K CB 0.622 33.131 32.500 0.015 0.000 1.079 1138 K HN -0.058 nan 8.250 nan 0.000 0.440 1139 D N 0.477 120.891 120.400 0.024 0.000 2.326 1139 D HA 0.341 4.979 4.640 -0.004 0.000 0.251 1139 D C -0.280 176.063 176.300 0.073 0.000 1.023 1139 D CA -0.630 53.403 54.000 0.056 0.000 0.966 1139 D CB 1.647 42.467 40.800 0.034 0.000 1.156 1139 D HN 0.011 nan 8.370 nan 0.000 0.494 1140 V N 1.166 121.149 119.914 0.115 0.000 2.481 1140 V HA 0.406 4.524 4.120 -0.004 0.000 0.286 1140 V C 0.143 176.222 176.094 -0.025 0.000 1.042 1140 V CA -0.363 61.989 62.300 0.086 0.000 0.928 1140 V CB 1.424 33.367 31.823 0.200 0.000 0.986 1140 V HN 0.439 nan 8.190 nan 0.000 0.462 1141 Q N 2.867 122.539 119.800 -0.214 0.000 2.605 1141 Q HA 0.758 5.095 4.340 -0.004 0.000 0.296 1141 Q C -1.836 173.938 176.000 -0.377 0.000 1.056 1141 Q CA -0.658 54.941 55.803 -0.339 0.000 0.778 1141 Q CB 2.098 30.516 28.738 -0.533 0.000 1.497 1141 Q HN 0.641 nan 8.270 nan 0.000 0.443 1142 L N 1.583 122.639 121.223 -0.278 0.000 2.356 1142 L HA 0.549 4.887 4.340 -0.004 0.000 0.277 1142 L C 0.187 176.979 176.870 -0.130 0.000 0.996 1142 L CA -0.275 54.436 54.840 -0.215 0.000 0.822 1142 L CB 1.445 43.325 42.059 -0.297 0.000 1.256 1142 L HN 0.751 nan 8.230 nan 0.000 0.413 1143 K N 3.431 123.741 120.400 -0.149 0.000 1.973 1143 K HA 0.105 4.422 4.320 -0.004 0.000 0.212 1143 K C 0.074 176.578 176.600 -0.160 0.000 1.047 1143 K CA 1.598 57.769 56.287 -0.193 0.000 0.937 1143 K CB 0.091 32.195 32.500 -0.660 0.000 0.721 1143 K HN 0.750 nan 8.250 nan 0.000 0.440 1144 N N -1.705 116.879 118.700 -0.194 0.000 3.185 1144 N HA 0.204 4.942 4.740 -0.004 0.000 0.238 1144 N C -1.141 174.263 175.510 -0.177 0.000 1.451 1144 N CA -0.569 52.389 53.050 -0.154 0.000 0.888 1144 N CB 0.862 39.299 38.487 -0.083 0.000 1.413 1144 N HN -0.009 nan 8.380 nan 0.000 0.511 1145 I N 1.319 121.786 120.570 -0.172 0.000 2.892 1145 I HA -0.120 4.048 4.170 -0.004 0.000 0.287 1145 I C 1.398 177.444 176.117 -0.118 0.000 1.205 1145 I CA 1.026 62.203 61.300 -0.206 0.000 1.409 1145 I CB 0.295 38.156 38.000 -0.231 0.000 1.367 1145 I HN 0.945 nan 8.210 nan 0.000 0.597 1146 T N -0.310 114.184 114.554 -0.100 0.000 9.270 1146 T HA -0.273 4.075 4.350 -0.004 0.000 0.360 1146 T C 0.303 175.083 174.700 0.132 0.000 1.823 1146 T CA 1.382 63.515 62.100 0.056 0.000 2.748 1146 T CB -1.470 67.419 68.868 0.036 0.000 2.671 1146 T HN 0.724 nan 8.240 nan 0.000 1.169 1147 D N 0.756 121.176 120.400 0.032 0.000 2.511 1147 D HA 0.598 5.236 4.640 -0.004 0.000 0.283 1147 D C 0.495 176.835 176.300 0.067 0.000 1.198 1147 D CA -0.214 53.819 54.000 0.054 0.000 1.097 1147 D CB 0.656 41.441 40.800 -0.025 0.000 1.160 1147 D HN 0.603 nan 8.370 nan 0.000 0.589 1148 Y N -1.072 119.267 120.300 0.065 0.000 2.545 1148 Y HA 0.656 5.204 4.550 -0.003 0.000 0.324 1148 Y C -0.364 175.622 175.900 0.144 0.000 1.220 1148 Y CA -1.039 57.119 58.100 0.096 0.000 1.290 1148 Y CB 0.682 39.206 38.460 0.107 0.000 1.355 1148 Y HN 0.060 nan 8.280 nan 0.000 0.516 1149 M N 2.331 122.150 119.600 0.364 0.000 2.456 1149 M HA 0.440 4.917 4.480 -0.004 0.000 0.324 1149 M C -1.613 174.978 176.300 0.486 0.000 1.124 1149 M CA -0.818 54.638 55.300 0.260 0.000 0.959 1149 M CB 2.155 34.856 32.600 0.169 0.000 1.692 1149 M HN 0.837 nan 8.290 nan 0.000 0.444 1150 Y N -0.039 120.407 120.300 0.244 0.000 2.644 1150 Y HA 0.830 5.378 4.550 -0.003 0.000 0.338 1150 Y C -1.773 174.236 175.900 0.181 0.000 1.119 1150 Y CA -1.536 56.716 58.100 0.255 0.000 1.060 1150 Y CB 1.032 39.677 38.460 0.308 0.000 1.294 1150 Y HN 0.535 nan 8.280 nan 0.000 0.472 1151 L N 2.097 123.481 121.223 0.268 0.000 2.379 1151 L HA 0.760 5.098 4.340 -0.004 0.000 0.269 1151 L C -0.001 176.962 176.870 0.154 0.000 1.084 1151 L CA -0.583 54.343 54.840 0.144 0.000 0.802 1151 L CB 1.905 44.048 42.059 0.141 0.000 1.175 1151 L HN 1.015 nan 8.230 nan 0.000 0.448 1152 T N -1.760 112.838 114.554 0.073 0.000 2.889 1152 T HA 0.351 4.699 4.350 -0.004 0.000 0.315 1152 T C -0.565 174.163 174.700 0.046 0.000 1.291 1152 T CA -1.039 61.113 62.100 0.087 0.000 1.028 1152 T CB 1.492 70.409 68.868 0.082 0.000 1.235 1152 T HN 0.386 nan 8.240 nan 0.000 0.491 1153 N N 1.319 120.044 118.700 0.042 0.000 2.458 1153 N HA 0.506 5.244 4.740 -0.004 0.000 0.258 1153 N C 0.055 175.572 175.510 0.012 0.000 1.219 1153 N CA 0.160 53.220 53.050 0.017 0.000 0.902 1153 N CB 0.698 39.195 38.487 0.016 0.000 1.076 1153 N HN 0.991 nan 8.380 nan 0.000 0.455 1154 A N 2.974 125.790 122.820 -0.008 0.000 2.304 1154 A HA 0.539 4.857 4.320 -0.004 0.000 0.301 1154 A C -2.030 175.559 177.584 0.008 0.000 1.132 1154 A CA -1.199 50.834 52.037 -0.007 0.000 0.819 1154 A CB -0.025 18.952 19.000 -0.038 0.000 1.094 1154 A HN 0.511 nan 8.150 nan 0.000 0.492 1155 P HA 0.225 nan 4.420 nan 0.000 0.269 1155 P C -0.187 177.144 177.300 0.053 0.000 1.209 1155 P CA 0.028 63.151 63.100 0.037 0.000 0.776 1155 P CB 0.874 32.604 31.700 0.050 0.000 0.876 1156 S N 1.519 117.246 115.700 0.045 0.000 2.607 1156 S HA 0.573 5.041 4.470 -0.004 0.000 0.303 1156 S C -1.247 173.370 174.600 0.027 0.000 1.086 1156 S CA -0.714 57.516 58.200 0.050 0.000 0.995 1156 S CB 1.276 64.489 63.200 0.022 0.000 1.084 1156 S HN 0.462 nan 8.310 nan 0.000 0.507 1157 Y N 1.630 121.811 120.300 -0.199 0.000 2.364 1157 Y HA 0.615 5.162 4.550 -0.004 0.000 0.340 1157 Y C -0.251 175.474 175.900 -0.291 0.000 0.975 1157 Y CA -0.116 57.800 58.100 -0.306 0.000 1.089 1157 Y CB 1.769 39.922 38.460 -0.511 0.000 1.192 1157 Y HN 1.074 nan 8.280 nan 0.000 0.454 1158 T N 4.460 118.469 114.554 -0.909 0.000 2.909 1158 T HA 0.442 4.790 4.350 -0.004 0.000 0.299 1158 T C -1.779 172.462 174.700 -0.766 0.000 1.073 1158 T CA -0.810 60.907 62.100 -0.638 0.000 0.999 1158 T CB 1.502 70.199 68.868 -0.285 0.000 1.098 1158 T HN 0.688 nan 8.240 nan 0.000 0.477 1159 N N 1.561 120.017 118.700 -0.407 0.000 2.685 1159 N HA 0.283 5.020 4.740 -0.004 0.000 0.252 1159 N C 1.082 176.545 175.510 -0.079 0.000 1.261 1159 N CA 0.022 52.931 53.050 -0.235 0.000 0.768 1159 N CB 1.252 39.679 38.487 -0.101 0.000 1.304 1159 N HN 0.942 nan 8.380 nan 0.000 0.536 1160 G N 1.978 110.729 108.800 -0.081 0.000 2.432 1160 G HA2 -0.275 3.682 3.960 -0.004 0.000 0.219 1160 G HA3 -0.275 3.682 3.960 -0.004 0.000 0.219 1160 G C 1.430 176.321 174.900 -0.015 0.000 1.135 1160 G CA 1.151 46.227 45.100 -0.039 0.000 0.767 1160 G HN 0.644 nan 8.290 nan 0.000 0.550 1161 K N 0.219 120.609 120.400 -0.016 0.000 2.097 1161 K HA 0.091 4.408 4.320 -0.004 0.000 0.205 1161 K C 2.019 178.627 176.600 0.013 0.000 1.050 1161 K CA 0.954 57.239 56.287 -0.002 0.000 0.938 1161 K CB -0.427 32.071 32.500 -0.003 0.000 0.718 1161 K HN 0.332 nan 8.250 nan 0.000 0.442 1162 L N 0.897 122.136 121.223 0.026 0.000 2.599 1162 L HA 0.064 4.401 4.340 -0.004 0.000 0.230 1162 L C 0.147 177.048 176.870 0.051 0.000 1.141 1162 L CA -0.073 54.793 54.840 0.044 0.000 0.877 1162 L CB -0.718 41.382 42.059 0.069 0.000 1.009 1162 L HN 0.392 nan 8.230 nan 0.000 0.447 1163 N N 1.208 119.938 118.700 0.049 0.000 2.754 1163 N HA -0.210 4.528 4.740 -0.004 0.000 0.248 1163 N C -0.505 175.068 175.510 0.105 0.000 1.093 1163 N CA 0.850 53.940 53.050 0.067 0.000 0.699 1163 N CB -1.019 37.495 38.487 0.045 0.000 1.016 1163 N HN 0.601 nan 8.380 nan 0.000 0.552 1164 I N -2.277 118.372 120.570 0.131 0.000 2.865 1164 I HA 0.817 4.985 4.170 -0.004 0.000 0.302 1164 I C -0.893 175.366 176.117 0.236 0.000 1.140 1164 I CA -1.031 60.370 61.300 0.169 0.000 1.021 1164 I CB 2.201 40.305 38.000 0.173 0.000 1.233 1164 I HN 0.077 nan 8.210 nan 0.000 0.427 1165 Y N 3.309 123.680 120.300 0.119 0.000 2.641 1165 Y HA 0.801 5.348 4.550 -0.004 0.000 0.333 1165 Y C -2.056 173.985 175.900 0.235 0.000 1.174 1165 Y CA -1.302 56.808 58.100 0.017 0.000 1.057 1165 Y CB 0.965 39.399 38.460 -0.042 0.000 1.322 1165 Y HN 0.847 nan 8.280 nan 0.000 0.457 1166 Y N -0.774 119.699 120.300 0.288 0.000 2.687 1166 Y HA 0.662 5.210 4.550 -0.004 0.000 0.338 1166 Y C -1.154 174.916 175.900 0.283 0.000 1.189 1166 Y CA -2.064 56.193 58.100 0.262 0.000 1.097 1166 Y CB 0.773 39.451 38.460 0.364 0.000 1.342 1166 Y HN 0.847 nan 8.280 nan 0.000 0.461 1167 R N 1.043 121.765 120.500 0.370 0.000 2.543 1167 R HA 0.532 4.870 4.340 -0.004 0.000 0.277 1167 R C -0.710 175.793 176.300 0.339 0.000 1.074 1167 R CA -0.608 55.608 56.100 0.192 0.000 1.076 1167 R CB 0.603 30.867 30.300 -0.059 0.000 0.993 1167 R HN 0.752 nan 8.270 nan 0.000 0.459 1168 R N 1.688 122.327 120.500 0.231 0.000 2.577 1168 R HA 0.375 4.712 4.340 -0.004 0.000 0.269 1168 R C -0.139 176.183 176.300 0.036 0.000 1.084 1168 R CA -0.505 55.763 56.100 0.281 0.000 1.163 1168 R CB 0.521 30.945 30.300 0.207 0.000 1.100 1168 R HN 0.470 nan 8.270 nan 0.000 0.547 1169 L N 0.906 122.047 121.223 -0.136 0.000 2.298 1169 L HA 0.383 4.721 4.340 -0.004 0.000 0.268 1169 L C -0.496 176.000 176.870 -0.623 0.000 1.010 1169 L CA -0.986 53.494 54.840 -0.601 0.000 0.812 1169 L CB 0.679 42.007 42.059 -1.219 0.000 1.331 1169 L HN 0.657 nan 8.230 nan 0.000 0.450 1170 Y N -1.059 118.936 120.300 -0.509 0.000 4.272 1170 Y HA -0.241 4.307 4.550 -0.004 0.000 0.232 1170 Y C -0.110 175.396 175.900 -0.656 0.000 1.149 1170 Y CA -0.246 57.269 58.100 -0.975 0.000 1.961 1170 Y CB -2.808 35.404 38.460 -0.413 0.000 1.611 1170 Y HN 0.606 nan 8.280 nan 0.000 0.682 1171 N N 0.348 118.871 118.700 -0.294 0.000 2.404 1171 N HA 0.742 5.479 4.740 -0.004 0.000 0.297 1171 N C 0.757 176.313 175.510 0.077 0.000 1.163 1171 N CA 0.301 53.330 53.050 -0.036 0.000 0.864 1171 N CB 2.279 40.772 38.487 0.011 0.000 1.247 1171 N HN 0.542 nan 8.380 nan 0.000 0.510 1172 G N -0.360 108.541 108.800 0.168 0.000 2.466 1172 G HA2 -0.128 3.829 3.960 -0.004 0.000 0.316 1172 G HA3 -0.128 3.829 3.960 -0.004 0.000 0.316 1172 G C -1.095 173.946 174.900 0.235 0.000 1.270 1172 G CA -0.886 44.331 45.100 0.195 0.000 0.982 1172 G HN 0.399 nan 8.290 nan 0.000 0.506 1173 L N 0.251 121.537 121.223 0.106 0.000 2.436 1173 L HA 0.464 4.802 4.340 -0.004 0.000 0.265 1173 L C 0.801 177.542 176.870 -0.214 0.000 1.168 1173 L CA -0.335 54.440 54.840 -0.108 0.000 0.815 1173 L CB 0.837 42.667 42.059 -0.382 0.000 1.109 1173 L HN 0.479 nan 8.230 nan 0.000 0.462 1174 K N 2.385 122.593 120.400 -0.319 0.000 2.240 1174 K HA 0.465 4.782 4.320 -0.004 0.000 0.271 1174 K C -1.165 175.249 176.600 -0.310 0.000 1.018 1174 K CA -0.323 55.744 56.287 -0.367 0.000 0.874 1174 K CB 1.177 33.485 32.500 -0.321 0.000 1.098 1174 K HN 0.173 nan 8.250 nan 0.000 0.458 1175 F N 2.580 122.506 119.950 -0.040 0.000 2.440 1175 F HA 0.531 5.055 4.527 -0.004 0.000 0.328 1175 F C 0.416 176.319 175.800 0.171 0.000 1.070 1175 F CA -0.833 57.211 58.000 0.072 0.000 1.011 1175 F CB 1.000 40.025 39.000 0.043 0.000 1.226 1175 F HN 0.205 nan 8.300 nan 0.000 0.491 1176 I N 2.491 123.317 120.570 0.427 0.000 2.647 1176 I HA 0.409 4.577 4.170 -0.004 0.000 0.295 1176 I C -1.071 175.313 176.117 0.444 0.000 1.078 1176 I CA -0.615 60.912 61.300 0.378 0.000 1.048 1176 I CB 2.473 40.626 38.000 0.254 0.000 1.239 1176 I HN 0.340 nan 8.210 nan 0.000 0.421 1177 I N 5.309 126.138 120.570 0.432 0.000 2.362 1177 I HA 0.414 4.582 4.170 -0.004 0.000 0.289 1177 I C -0.505 175.935 176.117 0.538 0.000 0.994 1177 I CA -0.641 60.924 61.300 0.441 0.000 1.158 1177 I CB 1.217 39.406 38.000 0.314 0.000 1.315 1177 I HN 0.373 nan 8.210 nan 0.000 0.451 1178 K N 5.928 126.624 120.400 0.494 0.000 2.259 1178 K HA 0.567 4.885 4.320 -0.004 0.000 0.249 1178 K C -0.605 176.122 176.600 0.211 0.000 0.942 1178 K CA -1.051 55.445 56.287 0.348 0.000 0.816 1178 K CB 2.277 34.989 32.500 0.354 0.000 1.155 1178 K HN 0.481 nan 8.250 nan 0.000 0.428 1179 R N 1.479 121.886 120.500 -0.155 0.000 2.538 1179 R HA -0.082 4.255 4.340 -0.004 0.000 0.282 1179 R C 0.915 177.266 176.300 0.085 0.000 1.009 1179 R CA 0.182 56.181 56.100 -0.167 0.000 1.063 1179 R CB 0.031 30.123 30.300 -0.346 0.000 0.945 1179 R HN 0.635 nan 8.270 nan 0.000 0.414 1180 Y N 2.557 122.907 120.300 0.083 0.000 2.097 1180 Y HA -0.186 4.362 4.550 -0.004 0.000 0.282 1180 Y C 0.584 176.516 175.900 0.054 0.000 1.152 1180 Y CA 1.606 59.767 58.100 0.103 0.000 1.136 1180 Y CB 0.379 38.921 38.460 0.138 0.000 0.975 1180 Y HN 0.405 nan 8.280 nan 0.000 0.498 1181 T N 3.397 117.998 114.554 0.079 0.000 2.771 1181 T HA 0.323 4.670 4.350 -0.004 0.000 0.281 1181 T C -2.524 172.158 174.700 -0.031 0.000 0.982 1181 T CA -1.464 60.621 62.100 -0.025 0.000 0.978 1181 T CB 1.366 70.257 68.868 0.038 0.000 0.930 1181 T HN -0.046 nan 8.240 nan 0.000 0.447 1182 P HA -0.034 nan 4.420 nan 0.000 0.261 1182 P C 0.915 178.188 177.300 -0.045 0.000 1.165 1182 P CA -0.028 63.038 63.100 -0.057 0.000 0.759 1182 P CB 0.516 32.186 31.700 -0.049 0.000 0.772 1183 N N 3.410 122.076 118.700 -0.058 0.000 2.013 1183 N HA -0.226 4.511 4.740 -0.004 0.000 0.195 1183 N C 0.569 176.066 175.510 -0.022 0.000 1.051 1183 N CA 1.446 54.470 53.050 -0.044 0.000 0.851 1183 N CB -1.179 37.275 38.487 -0.055 0.000 1.044 1183 N HN 0.510 nan 8.380 nan 0.000 0.422 1184 N N -0.549 118.138 118.700 -0.021 0.000 6.923 1184 N HA -0.196 4.542 4.740 -0.004 0.000 0.423 1184 N C -1.219 174.284 175.510 -0.012 0.000 0.948 1184 N CA 0.735 53.776 53.050 -0.014 0.000 1.361 1184 N CB -0.728 37.754 38.487 -0.009 0.000 0.818 1184 N HN 0.600 nan 8.380 nan 0.000 0.288 1185 E N 2.064 122.259 120.200 -0.009 0.000 2.493 1185 E HA 0.257 4.604 4.350 -0.004 0.000 0.255 1185 E C -0.148 176.449 176.600 -0.005 0.000 0.999 1185 E CA 0.665 57.059 56.400 -0.009 0.000 0.934 1185 E CB -0.246 29.448 29.700 -0.009 0.000 0.940 1185 E HN 0.460 nan 8.360 nan 0.000 0.473 1186 I N 1.398 121.964 120.570 -0.006 0.000 3.229 1186 I HA 0.144 4.312 4.170 -0.004 0.000 0.313 1186 I C -0.417 175.697 176.117 -0.006 0.000 1.317 1186 I CA -1.294 60.009 61.300 0.004 0.000 0.940 1186 I CB 1.557 39.570 38.000 0.021 0.000 1.315 1186 I HN 0.523 nan 8.210 nan 0.000 0.484 1187 D N 0.282 120.679 120.400 -0.006 0.000 2.380 1187 D HA 0.184 4.821 4.640 -0.004 0.000 0.254 1187 D C 0.418 176.730 176.300 0.019 0.000 1.288 1187 D CA -0.323 53.623 54.000 -0.090 0.000 1.008 1187 D CB 0.415 41.113 40.800 -0.170 0.000 1.099 1187 D HN 0.492 nan 8.370 nan 0.000 0.537 1188 S N -1.869 113.800 115.700 -0.052 0.000 2.539 1188 S HA 0.182 4.650 4.470 -0.004 0.000 0.221 1188 S C -0.102 174.753 174.600 0.426 0.000 0.987 1188 S CA -0.575 57.754 58.200 0.216 0.000 0.929 1188 S CB -0.162 63.127 63.200 0.148 0.000 0.832 1188 S HN 0.263 nan 8.310 nan 0.000 0.492 1189 F N 2.424 122.506 119.950 0.221 0.000 2.384 1189 F HA 0.414 4.938 4.527 -0.004 0.000 0.338 1189 F C 0.305 176.171 175.800 0.111 0.000 1.103 1189 F CA -2.348 55.753 58.000 0.168 0.000 1.157 1189 F CB 0.409 39.606 39.000 0.329 0.000 1.167 1189 F HN -0.192 nan 8.300 nan 0.000 0.529 1190 V N 4.498 124.433 119.914 0.035 0.000 2.368 1190 V HA 0.226 4.344 4.120 -0.004 0.000 0.266 1190 V C 0.256 176.344 176.094 -0.010 0.000 1.045 1190 V CA -0.972 61.222 62.300 -0.177 0.000 0.899 1190 V CB 0.228 31.756 31.823 -0.491 0.000 1.006 1190 V HN 0.610 nan 8.190 nan 0.000 0.470 1191 K N 2.483 122.880 120.400 -0.005 0.000 2.098 1191 K HA 0.512 4.830 4.320 -0.004 0.000 0.244 1191 K C 0.132 176.666 176.600 -0.109 0.000 1.014 1191 K CA -0.558 55.644 56.287 -0.141 0.000 0.917 1191 K CB 0.851 33.199 32.500 -0.253 0.000 1.072 1191 K HN 0.609 nan 8.250 nan 0.000 0.477 1192 S N 0.293 115.917 115.700 -0.127 0.000 2.499 1192 S HA 0.386 4.854 4.470 -0.004 0.000 0.275 1192 S C 0.984 175.520 174.600 -0.108 0.000 1.257 1192 S CA -0.051 58.084 58.200 -0.108 0.000 1.050 1192 S CB 0.905 64.052 63.200 -0.088 0.000 0.937 1192 S HN 0.961 nan 8.310 nan 0.000 0.490 1193 G N 2.343 111.058 108.800 -0.141 0.000 2.238 1193 G HA2 -0.195 3.762 3.960 -0.004 0.000 0.217 1193 G HA3 -0.195 3.762 3.960 -0.004 0.000 0.217 1193 G C -0.370 174.370 174.900 -0.266 0.000 0.996 1193 G CA -0.472 44.516 45.100 -0.186 0.000 0.632 1193 G HN 0.634 nan 8.290 nan 0.000 0.503 1194 D N 0.661 120.977 120.400 -0.140 0.000 2.493 1194 D HA 0.418 5.055 4.640 -0.004 0.000 0.240 1194 D C 0.232 176.464 176.300 -0.114 0.000 1.142 1194 D CA 0.435 54.424 54.000 -0.019 0.000 0.872 1194 D CB 0.109 40.967 40.800 0.096 0.000 1.173 1194 D HN 0.137 nan 8.370 nan 0.000 0.467 1195 F N 2.689 122.692 119.950 0.087 0.000 2.404 1195 F HA 0.380 4.905 4.527 -0.004 0.000 0.345 1195 F C 0.907 176.812 175.800 0.176 0.000 1.110 1195 F CA -0.719 57.321 58.000 0.066 0.000 1.130 1195 F CB 0.588 39.540 39.000 -0.080 0.000 1.129 1195 F HN 0.190 nan 8.300 nan 0.000 0.500 1196 I N -0.664 120.112 120.570 0.343 0.000 3.294 1196 I HA 0.668 4.836 4.170 -0.004 0.000 0.311 1196 I C -1.352 174.996 176.117 0.385 0.000 1.111 1196 I CA -1.216 60.306 61.300 0.370 0.000 0.976 1196 I CB 2.388 40.581 38.000 0.321 0.000 1.260 1196 I HN 0.310 nan 8.210 nan 0.000 0.474 1197 K N 1.438 122.043 120.400 0.341 0.000 2.371 1197 K HA 0.618 4.935 4.320 -0.004 0.000 0.251 1197 K C -1.790 174.890 176.600 0.133 0.000 0.934 1197 K CA -0.837 55.584 56.287 0.223 0.000 0.798 1197 K CB 2.669 35.278 32.500 0.181 0.000 1.204 1197 K HN 0.479 nan 8.250 nan 0.000 0.427 1198 L N 3.658 124.878 121.223 -0.005 0.000 2.298 1198 L HA 0.418 4.756 4.340 -0.004 0.000 0.284 1198 L C -1.680 175.155 176.870 -0.059 0.000 1.013 1198 L CA -0.323 54.558 54.840 0.070 0.000 0.824 1198 L CB 0.438 42.551 42.059 0.091 0.000 1.221 1198 L HN 0.468 nan 8.230 nan 0.000 0.418 1199 Y N 3.451 123.896 120.300 0.241 0.000 2.420 1199 Y HA 0.650 5.197 4.550 -0.004 0.000 0.334 1199 Y C 0.015 176.027 175.900 0.186 0.000 1.094 1199 Y CA -0.763 57.454 58.100 0.196 0.000 1.126 1199 Y CB 1.973 40.515 38.460 0.136 0.000 1.217 1199 Y HN 0.267 nan 8.280 nan 0.000 0.462 1200 V N 1.875 121.934 119.914 0.241 0.000 2.435 1200 V HA 0.313 4.430 4.120 -0.004 0.000 0.290 1200 V C -0.289 175.826 176.094 0.035 0.000 1.030 1200 V CA -0.718 61.569 62.300 -0.022 0.000 0.881 1200 V CB 1.736 33.482 31.823 -0.128 0.000 0.983 1200 V HN 0.774 nan 8.190 nan 0.000 0.445 1201 S N 5.322 120.998 115.700 -0.040 0.000 2.423 1201 S HA 0.568 5.035 4.470 -0.004 0.000 0.317 1201 S C -1.197 173.428 174.600 0.042 0.000 1.065 1201 S CA -0.353 57.836 58.200 -0.017 0.000 1.111 1201 S CB -0.136 63.039 63.200 -0.041 0.000 0.968 1201 S HN 0.654 nan 8.310 nan 0.000 0.474 1202 Y N 5.240 125.489 120.300 -0.084 0.000 2.361 1202 Y HA 0.381 4.929 4.550 -0.004 0.000 0.328 1202 Y C 0.141 176.030 175.900 -0.018 0.000 1.044 1202 Y CA -0.595 57.486 58.100 -0.031 0.000 1.085 1202 Y CB 0.933 39.414 38.460 0.035 0.000 1.194 1202 Y HN 0.775 nan 8.280 nan 0.000 0.438 1203 N N 5.526 123.919 118.700 -0.511 0.000 2.727 1203 N HA -0.256 4.482 4.740 -0.004 0.000 0.251 1203 N C -0.645 174.767 175.510 -0.164 0.000 1.040 1203 N CA 1.299 54.109 53.050 -0.400 0.000 0.712 1203 N CB -0.811 37.387 38.487 -0.481 0.000 0.912 1203 N HN 0.947 nan 8.380 nan 0.000 0.545 1204 N N -1.073 117.545 118.700 -0.137 0.000 2.693 1204 N HA -0.214 4.523 4.740 -0.004 0.000 0.249 1204 N C -0.981 174.470 175.510 -0.098 0.000 1.119 1204 N CA 1.191 54.183 53.050 -0.097 0.000 0.717 1204 N CB -1.015 37.425 38.487 -0.078 0.000 1.071 1204 N HN 0.605 nan 8.380 nan 0.000 0.555 1205 N N 0.481 119.103 118.700 -0.130 0.000 2.242 1205 N HA 0.299 5.036 4.740 -0.004 0.000 0.292 1205 N C -0.796 174.523 175.510 -0.318 0.000 1.125 1205 N CA -0.411 52.508 53.050 -0.217 0.000 0.783 1205 N CB 1.506 39.843 38.487 -0.251 0.000 1.558 1205 N HN 0.084 nan 8.380 nan 0.000 0.472 1206 E N 0.516 120.531 120.200 -0.308 0.000 2.133 1206 E HA 0.308 4.656 4.350 -0.004 0.000 0.274 1206 E C -1.049 175.466 176.600 -0.143 0.000 0.930 1206 E CA -0.389 55.890 56.400 -0.201 0.000 0.770 1206 E CB 1.108 30.706 29.700 -0.169 0.000 1.104 1206 E HN 0.427 nan 8.360 nan 0.000 0.403 1207 H N 1.818 121.025 119.070 0.227 0.000 2.466 1207 H HA 0.269 4.823 4.556 -0.004 0.000 0.338 1207 H C -0.113 175.377 175.328 0.270 0.000 1.091 1207 H CA -1.036 55.151 56.048 0.231 0.000 1.207 1207 H CB 1.318 31.157 29.762 0.127 0.000 1.466 1207 H HN 0.302 nan 8.280 nan 0.000 0.493 1208 I N 3.104 123.869 120.570 0.325 0.000 2.754 1208 I HA -0.007 4.160 4.170 -0.004 0.000 0.285 1208 I C -0.184 175.959 176.117 0.045 0.000 1.166 1208 I CA 0.104 61.387 61.300 -0.029 0.000 1.417 1208 I CB 0.932 38.897 38.000 -0.059 0.000 1.382 1208 I HN 0.348 nan 8.210 nan 0.000 0.588 1209 V N 6.362 126.271 119.914 -0.008 0.000 2.398 1209 V HA 0.834 4.952 4.120 -0.004 0.000 0.286 1209 V C 0.451 176.590 176.094 0.075 0.000 1.026 1209 V CA -0.024 62.321 62.300 0.074 0.000 0.868 1209 V CB 1.133 33.026 31.823 0.115 0.000 0.982 1209 V HN 1.030 nan 8.190 nan 0.000 0.443 1210 G N 3.533 112.396 108.800 0.105 0.000 2.489 1210 G HA2 0.462 4.420 3.960 -0.004 0.000 0.305 1210 G HA3 0.462 4.420 3.960 -0.004 0.000 0.305 1210 G C -2.384 172.617 174.900 0.167 0.000 1.311 1210 G CA -0.518 44.665 45.100 0.139 0.000 0.813 1210 G HN 0.491 nan 8.290 nan 0.000 0.480 1211 Y N 1.501 121.833 120.300 0.053 0.000 2.391 1211 Y HA 0.741 5.288 4.550 -0.004 0.000 0.341 1211 Y C -2.507 173.371 175.900 -0.036 0.000 0.965 1211 Y CA -2.407 55.698 58.100 0.008 0.000 1.067 1211 Y CB 3.009 41.517 38.460 0.079 0.000 1.199 1211 Y HN 0.466 nan 8.280 nan 0.000 0.450 1212 P HA 0.296 nan 4.420 nan 0.000 0.287 1212 P C 0.035 176.770 177.300 -0.941 0.000 1.279 1212 P CA -0.551 62.069 63.100 -0.799 0.000 0.867 1212 P CB 2.232 33.507 31.700 -0.708 0.000 1.127 1213 K N 0.740 120.815 120.400 -0.541 0.000 2.031 1213 K HA -0.232 4.085 4.320 -0.004 0.000 0.228 1213 K C -0.169 176.378 176.600 -0.090 0.000 1.050 1213 K CA 2.627 58.812 56.287 -0.170 0.000 0.980 1213 K CB -0.541 31.888 32.500 -0.117 0.000 0.738 1213 K HN 0.591 nan 8.250 nan 0.000 0.451 1214 D N -0.723 119.591 120.400 -0.142 0.000 2.980 1214 D HA 0.211 4.849 4.640 -0.004 0.000 0.333 1214 D C -0.327 175.912 176.300 -0.101 0.000 1.356 1214 D CA -0.203 53.768 54.000 -0.049 0.000 0.847 1214 D CB 1.131 41.929 40.800 -0.003 0.000 1.122 1214 D HN 0.304 nan 8.370 nan 0.000 0.475 1215 G N 0.208 108.843 108.800 -0.275 0.000 2.539 1215 G HA2 0.068 4.025 3.960 -0.004 0.000 0.258 1215 G HA3 0.068 4.025 3.960 -0.004 0.000 0.258 1215 G C 0.157 175.053 174.900 -0.006 0.000 1.202 1215 G CA -0.622 44.328 45.100 -0.249 0.000 0.851 1215 G HN 0.276 nan 8.290 nan 0.000 0.556 1216 N N -0.404 118.258 118.700 -0.064 0.000 2.232 1216 N HA 0.264 5.002 4.740 -0.004 0.000 0.251 1216 N C -0.047 175.369 175.510 -0.155 0.000 1.242 1216 N CA 0.695 53.676 53.050 -0.115 0.000 0.837 1216 N CB 0.186 38.559 38.487 -0.190 0.000 1.079 1216 N HN 0.695 nan 8.380 nan 0.000 0.461 1217 A N 3.382 126.049 122.820 -0.254 0.000 2.541 1217 A HA 0.294 4.612 4.320 -0.004 0.000 0.285 1217 A C -1.099 176.318 177.584 -0.278 0.000 1.058 1217 A CA -0.667 51.194 52.037 -0.294 0.000 0.886 1217 A CB 0.175 19.103 19.000 -0.120 0.000 1.411 1217 A HN 0.548 nan 8.150 nan 0.000 0.403 1218 F N 2.870 122.712 119.950 -0.181 0.000 2.580 1218 F HA 0.047 4.573 4.527 -0.002 0.000 0.398 1218 F C 1.254 176.925 175.800 -0.216 0.000 1.023 1218 F CA 1.006 58.860 58.000 -0.244 0.000 1.188 1218 F CB -0.197 38.507 39.000 -0.494 0.000 1.005 1218 F HN 0.711 nan 8.300 nan 0.000 0.546 1219 N N 2.549 121.272 118.700 0.038 0.000 2.708 1219 N HA -0.312 4.426 4.740 -0.004 0.000 0.249 1219 N C 0.230 175.735 175.510 -0.007 0.000 1.097 1219 N CA 0.997 54.052 53.050 0.009 0.000 0.710 1219 N CB -1.464 37.023 38.487 0.000 0.000 1.032 1219 N HN 0.791 nan 8.380 nan 0.000 0.551 1220 N N -1.737 116.951 118.700 -0.021 0.000 2.758 1220 N HA -0.240 4.497 4.740 -0.004 0.000 0.245 1220 N C 0.803 176.299 175.510 -0.023 0.000 1.059 1220 N CA 1.716 54.756 53.050 -0.017 0.000 0.900 1220 N CB -1.118 37.373 38.487 0.005 0.000 1.145 1220 N HN 0.558 nan 8.380 nan 0.000 0.590 1221 L N -0.553 120.649 121.223 -0.035 0.000 2.577 1221 L HA 0.145 4.483 4.340 -0.004 0.000 0.225 1221 L C -0.116 176.714 176.870 -0.068 0.000 1.053 1221 L CA 0.262 55.086 54.840 -0.028 0.000 0.866 1221 L CB 0.193 42.264 42.059 0.020 0.000 1.132 1221 L HN -0.115 nan 8.230 nan 0.000 0.486 1222 D N 1.926 122.261 120.400 -0.109 0.000 2.479 1222 D HA 0.214 4.852 4.640 -0.004 0.000 0.218 1222 D C -0.174 176.015 176.300 -0.186 0.000 1.131 1222 D CA -0.114 53.812 54.000 -0.123 0.000 0.916 1222 D CB 0.636 41.343 40.800 -0.155 0.000 1.022 1222 D HN 0.018 nan 8.370 nan 0.000 0.515 1223 R N 1.621 121.953 120.500 -0.280 0.000 2.347 1223 R HA 0.367 4.705 4.340 -0.004 0.000 0.304 1223 R C 0.382 176.530 176.300 -0.254 0.000 1.072 1223 R CA -0.281 55.524 56.100 -0.492 0.000 0.980 1223 R CB 1.034 30.562 30.300 -1.286 0.000 0.986 1223 R HN 0.315 nan 8.270 nan 0.000 0.448 1224 I N 4.947 125.442 120.570 -0.125 0.000 2.337 1224 I HA 0.075 4.243 4.170 -0.004 0.000 0.291 1224 I C 0.361 176.544 176.117 0.109 0.000 1.046 1224 I CA -0.229 61.051 61.300 -0.033 0.000 1.324 1224 I CB 0.497 38.389 38.000 -0.179 0.000 1.409 1224 I HN 0.343 nan 8.210 nan 0.000 0.494 1225 L N 7.036 128.334 121.223 0.126 0.000 2.467 1225 L HA 0.325 4.663 4.340 -0.004 0.000 0.270 1225 L C 0.311 177.266 176.870 0.142 0.000 1.205 1225 L CA -0.351 54.578 54.840 0.149 0.000 0.828 1225 L CB 0.087 42.219 42.059 0.122 0.000 1.101 1225 L HN 0.542 nan 8.230 nan 0.000 0.479 1226 R N 1.390 121.953 120.500 0.105 0.000 2.807 1226 R HA 0.616 4.954 4.340 -0.004 0.000 0.276 1226 R C -1.286 175.073 176.300 0.099 0.000 0.979 1226 R CA -0.899 55.253 56.100 0.086 0.000 0.928 1226 R CB 1.867 32.167 30.300 0.001 0.000 1.191 1226 R HN 0.267 nan 8.270 nan 0.000 0.471 1227 V N 1.066 121.028 119.914 0.080 0.000 2.326 1227 V HA 0.392 4.510 4.120 -0.004 0.000 0.281 1227 V C 0.994 177.098 176.094 0.016 0.000 1.015 1227 V CA 0.099 62.437 62.300 0.064 0.000 0.823 1227 V CB 1.075 32.911 31.823 0.022 0.000 1.009 1227 V HN 1.032 nan 8.190 nan 0.000 0.436 1228 G N 4.064 112.912 108.800 0.080 0.000 2.153 1228 G HA2 -0.339 3.619 3.960 -0.004 0.000 0.252 1228 G HA3 -0.339 3.619 3.960 -0.004 0.000 0.252 1228 G C 0.068 174.983 174.900 0.026 0.000 0.994 1228 G CA 0.303 45.422 45.100 0.032 0.000 0.698 1228 G HN 0.924 nan 8.290 nan 0.000 0.521 1229 Y N 2.277 122.551 120.300 -0.043 0.000 2.815 1229 Y HA 0.277 4.825 4.550 -0.004 0.000 0.346 1229 Y C 0.736 176.613 175.900 -0.039 0.000 1.267 1229 Y CA 0.385 58.456 58.100 -0.049 0.000 1.604 1229 Y CB 0.201 38.632 38.460 -0.049 0.000 1.218 1229 Y HN 0.538 nan 8.280 nan 0.000 0.527 1230 N N 4.549 123.053 118.700 -0.327 0.000 2.404 1230 N HA 0.843 5.581 4.740 -0.004 0.000 0.297 1230 N C -1.612 173.636 175.510 -0.436 0.000 1.163 1230 N CA -0.580 52.319 53.050 -0.253 0.000 0.864 1230 N CB 2.030 40.436 38.487 -0.135 0.000 1.247 1230 N HN 0.633 nan 8.380 nan 0.000 0.510 1231 A N -0.008 122.654 122.820 -0.263 0.000 2.601 1231 A HA 0.637 4.955 4.320 -0.004 0.000 0.291 1231 A C -1.961 175.552 177.584 -0.118 0.000 1.075 1231 A CA -0.925 50.971 52.037 -0.235 0.000 0.671 1231 A CB -0.148 18.697 19.000 -0.259 0.000 1.277 1231 A HN 0.548 nan 8.150 nan 0.000 0.417 1232 P HA -0.090 nan 4.420 nan 0.000 0.209 1232 P C 0.850 178.125 177.300 -0.041 0.000 1.080 1232 P CA 2.292 65.359 63.100 -0.055 0.000 0.971 1232 P CB 0.012 31.685 31.700 -0.045 0.000 0.768 1233 G N -0.936 107.843 108.800 -0.035 0.000 3.829 1233 G HA2 0.522 4.479 3.960 -0.004 0.000 0.289 1233 G HA3 0.522 4.479 3.960 -0.004 0.000 0.289 1233 G C -0.766 174.118 174.900 -0.026 0.000 1.274 1233 G CA -0.275 44.810 45.100 -0.025 0.000 0.698 1233 G HN 0.120 nan 8.290 nan 0.000 0.488 1234 I N 1.657 122.206 120.570 -0.035 0.000 2.439 1234 I HA 0.276 4.444 4.170 -0.004 0.000 0.285 1234 I C -2.308 173.761 176.117 -0.078 0.000 1.021 1234 I CA -2.112 59.164 61.300 -0.039 0.000 1.091 1234 I CB 2.705 40.704 38.000 -0.003 0.000 1.242 1234 I HN 0.091 nan 8.210 nan 0.000 0.439 1235 P HA 0.101 nan 4.420 nan 0.000 0.263 1235 P C -0.796 176.209 177.300 -0.492 0.000 1.195 1235 P CA -0.237 62.699 63.100 -0.273 0.000 0.762 1235 P CB 0.510 32.035 31.700 -0.292 0.000 0.799 1236 L N 5.721 126.758 121.223 -0.309 0.000 2.295 1236 L HA 0.352 4.690 4.340 -0.004 0.000 0.281 1236 L C -1.203 175.595 176.870 -0.120 0.000 1.018 1236 L CA -0.783 53.923 54.840 -0.223 0.000 0.841 1236 L CB -0.048 42.008 42.059 -0.005 0.000 1.218 1236 L HN 0.204 nan 8.230 nan 0.000 0.424 1237 Y N 4.734 125.087 120.300 0.088 0.000 2.486 1237 Y HA 0.304 4.851 4.550 -0.004 0.000 0.348 1237 Y C 0.772 176.764 175.900 0.153 0.000 1.000 1237 Y CA -0.625 57.557 58.100 0.137 0.000 1.253 1237 Y CB 0.409 38.977 38.460 0.178 0.000 1.140 1237 Y HN 0.607 nan 8.280 nan 0.000 0.526 1238 K N 0.260 120.849 120.400 0.315 0.000 2.520 1238 K HA 0.179 4.497 4.320 -0.004 0.000 0.206 1238 K C -0.112 176.637 176.600 0.248 0.000 1.122 1238 K CA -0.602 55.829 56.287 0.239 0.000 1.045 1238 K CB 0.621 33.232 32.500 0.186 0.000 0.932 1238 K HN 0.234 nan 8.250 nan 0.000 0.571 1239 K N 2.105 122.641 120.400 0.226 0.000 2.349 1239 K HA 0.242 4.560 4.320 -0.004 0.000 0.289 1239 K C -0.746 176.007 176.600 0.256 0.000 1.064 1239 K CA -0.025 56.305 56.287 0.071 0.000 0.947 1239 K CB 0.430 32.793 32.500 -0.228 0.000 1.007 1239 K HN 0.133 nan 8.250 nan 0.000 0.478 1240 M N 3.048 122.806 119.600 0.263 0.000 2.535 1240 M HA 0.267 4.745 4.480 -0.004 0.000 0.314 1240 M C -0.751 175.684 176.300 0.224 0.000 1.153 1240 M CA -0.758 54.699 55.300 0.261 0.000 0.924 1240 M CB 2.221 34.908 32.600 0.146 0.000 1.710 1240 M HN 0.620 nan 8.290 nan 0.000 0.451 1241 E N 1.435 121.695 120.200 0.101 0.000 2.166 1241 E HA 0.624 4.972 4.350 -0.004 0.000 0.275 1241 E C -1.402 175.127 176.600 -0.118 0.000 0.941 1241 E CA -0.499 55.756 56.400 -0.242 0.000 0.784 1241 E CB 1.707 31.203 29.700 -0.340 0.000 1.115 1241 E HN 0.780 nan 8.360 nan 0.000 0.399 1242 A N 4.502 127.238 122.820 -0.139 0.000 2.273 1242 A HA 0.518 4.836 4.320 -0.004 0.000 0.320 1242 A C -0.523 176.992 177.584 -0.115 0.000 1.358 1242 A CA -0.515 51.459 52.037 -0.105 0.000 0.910 1242 A CB 0.135 19.062 19.000 -0.121 0.000 1.159 1242 A HN 0.373 nan 8.150 nan 0.000 0.526 1243 V N -0.334 119.530 119.914 -0.083 0.000 3.141 1243 V HA 0.742 4.860 4.120 -0.004 0.000 0.312 1243 V C -0.498 175.568 176.094 -0.047 0.000 1.157 1243 V CA -1.279 60.980 62.300 -0.069 0.000 1.041 1243 V CB 1.919 33.712 31.823 -0.049 0.000 1.071 1243 V HN 0.629 nan 8.190 nan 0.000 0.441 1244 K N 0.837 121.215 120.400 -0.037 0.000 2.316 1244 K HA 0.634 4.951 4.320 -0.004 0.000 0.267 1244 K C -0.316 176.276 176.600 -0.014 0.000 1.025 1244 K CA -0.483 55.792 56.287 -0.021 0.000 0.896 1244 K CB 0.978 33.469 32.500 -0.015 0.000 1.124 1244 K HN 0.605 nan 8.250 nan 0.000 0.451 1245 L N 3.516 124.730 121.223 -0.015 0.000 2.515 1245 L HA 0.334 4.671 4.340 -0.004 0.000 0.223 1245 L C 0.126 176.992 176.870 -0.006 0.000 1.079 1245 L CA 0.822 55.659 54.840 -0.005 0.000 0.857 1245 L CB -0.356 41.694 42.059 -0.015 0.000 1.050 1245 L HN 0.711 nan 8.230 nan 0.000 0.476 1246 R N -2.906 117.586 120.500 -0.014 0.000 2.733 1246 R HA 0.377 4.715 4.340 -0.004 0.000 0.272 1246 R C -1.023 175.270 176.300 -0.012 0.000 1.029 1246 R CA -0.850 55.243 56.100 -0.012 0.000 0.888 1246 R CB 0.369 30.660 30.300 -0.015 0.000 1.251 1246 R HN -0.191 nan 8.270 nan 0.000 0.464 1247 D N 0.433 120.828 120.400 -0.009 0.000 2.746 1247 D HA -0.132 4.506 4.640 -0.004 0.000 0.241 1247 D C 0.642 176.941 176.300 -0.001 0.000 1.140 1247 D CA 0.316 54.312 54.000 -0.006 0.000 0.707 1247 D CB -0.066 40.726 40.800 -0.012 0.000 1.034 1247 D HN 0.591 nan 8.370 nan 0.000 0.423 1248 L N 0.727 121.947 121.223 -0.006 0.000 2.151 1248 L HA -0.233 4.105 4.340 -0.004 0.000 0.219 1248 L C 2.076 178.948 176.870 0.004 0.000 1.083 1248 L CA 2.262 57.099 54.840 -0.005 0.000 0.782 1248 L CB -0.546 41.491 42.059 -0.038 0.000 0.891 1248 L HN 0.391 nan 8.230 nan 0.000 0.439 1249 K N -1.740 118.652 120.400 -0.012 0.000 2.418 1249 K HA 0.029 4.346 4.320 -0.004 0.000 0.195 1249 K C 0.335 176.892 176.600 -0.072 0.000 1.035 1249 K CA 0.154 56.439 56.287 -0.003 0.000 1.003 1249 K CB 0.159 32.690 32.500 0.050 0.000 0.793 1249 K HN 0.269 nan 8.250 nan 0.000 0.494 1250 T N 0.708 115.222 114.554 -0.066 0.000 2.794 1250 T HA 0.206 4.553 4.350 -0.004 0.000 0.280 1250 T C -0.632 174.068 174.700 -0.001 0.000 0.987 1250 T CA -0.550 61.479 62.100 -0.118 0.000 0.993 1250 T CB 0.621 69.483 68.868 -0.010 0.000 0.939 1250 T HN -0.026 nan 8.240 nan 0.000 0.449 1251 Y N 2.894 123.297 120.300 0.172 0.000 2.734 1251 Y HA 0.342 4.889 4.550 -0.004 0.000 0.353 1251 Y C 1.309 177.359 175.900 0.250 0.000 1.244 1251 Y CA -1.146 57.052 58.100 0.164 0.000 1.950 1251 Y CB -1.254 37.277 38.460 0.118 0.000 2.028 1251 Y HN 0.543 nan 8.280 nan 0.000 0.421 1252 S N -0.889 114.966 115.700 0.259 0.000 2.634 1252 S HA 0.923 5.391 4.470 -0.004 0.000 0.296 1252 S C -0.901 173.773 174.600 0.124 0.000 1.104 1252 S CA -0.854 57.446 58.200 0.167 0.000 0.920 1252 S CB 2.376 65.555 63.200 -0.034 0.000 1.111 1252 S HN 0.010 nan 8.310 nan 0.000 0.493 1253 V N 1.210 121.215 119.914 0.150 0.000 2.925 1253 V HA 0.567 4.684 4.120 -0.004 0.000 0.311 1253 V C -1.229 174.954 176.094 0.148 0.000 1.104 1253 V CA -0.694 61.673 62.300 0.112 0.000 0.954 1253 V CB 2.182 34.045 31.823 0.067 0.000 1.022 1253 V HN 0.955 nan 8.190 nan 0.000 0.427 1254 Q N 2.875 122.713 119.800 0.062 0.000 2.306 1254 Q HA 0.774 5.112 4.340 -0.004 0.000 0.265 1254 Q C -1.337 174.678 176.000 0.026 0.000 1.022 1254 Q CA -0.277 55.552 55.803 0.044 0.000 0.853 1254 Q CB 2.329 31.041 28.738 -0.043 0.000 1.327 1254 Q HN 0.599 nan 8.270 nan 0.000 0.449 1255 L N 1.412 122.651 121.223 0.025 0.000 2.356 1255 L HA 0.582 4.919 4.340 -0.004 0.000 0.277 1255 L C -0.447 176.412 176.870 -0.018 0.000 0.996 1255 L CA -0.806 54.033 54.840 -0.001 0.000 0.822 1255 L CB 1.637 43.688 42.059 -0.013 0.000 1.256 1255 L HN 0.368 nan 8.230 nan 0.000 0.413 1256 K N 3.813 124.203 120.400 -0.016 0.000 2.339 1256 K HA 0.442 4.760 4.320 -0.004 0.000 0.264 1256 K C -1.329 175.229 176.600 -0.071 0.000 0.986 1256 K CA -0.785 55.475 56.287 -0.045 0.000 0.866 1256 K CB 1.785 34.256 32.500 -0.047 0.000 1.103 1256 K HN 0.419 nan 8.250 nan 0.000 0.441 1257 L N 5.040 126.223 121.223 -0.066 0.000 2.326 1257 L HA 0.352 4.690 4.340 -0.004 0.000 0.278 1257 L C -1.454 175.342 176.870 -0.123 0.000 1.092 1257 L CA 0.000 54.838 54.840 -0.004 0.000 0.810 1257 L CB 0.418 42.505 42.059 0.047 0.000 1.153 1257 L HN 0.512 nan 8.230 nan 0.000 0.439 1258 Y N 2.131 122.480 120.300 0.082 0.000 2.487 1258 Y HA 0.426 4.974 4.550 -0.003 0.000 0.337 1258 Y C 0.127 176.011 175.900 -0.028 0.000 1.076 1258 Y CA -0.785 57.333 58.100 0.030 0.000 1.115 1258 Y CB 1.320 39.797 38.460 0.029 0.000 1.235 1258 Y HN 0.756 nan 8.280 nan 0.000 0.468 1259 D N -0.849 119.558 120.400 0.011 0.000 2.507 1259 D HA 0.020 4.658 4.640 -0.004 0.000 0.280 1259 D C 0.439 176.641 176.300 -0.165 0.000 1.219 1259 D CA -0.403 53.395 54.000 -0.338 0.000 1.085 1259 D CB 0.177 40.587 40.800 -0.650 0.000 1.134 1259 D HN 0.592 nan 8.370 nan 0.000 0.583 1260 D N -1.520 118.741 120.400 -0.232 0.000 2.363 1260 D HA -0.095 4.543 4.640 -0.004 0.000 0.226 1260 D C 0.527 176.827 176.300 0.001 0.000 1.020 1260 D CA 0.567 54.593 54.000 0.042 0.000 0.892 1260 D CB -0.209 40.738 40.800 0.245 0.000 0.900 1260 D HN 0.414 nan 8.370 nan 0.000 0.531 1261 K N -0.177 120.196 120.400 -0.045 0.000 2.478 1261 K HA 0.124 4.441 4.320 -0.004 0.000 0.205 1261 K C -0.347 176.239 176.600 -0.024 0.000 1.033 1261 K CA -0.443 55.828 56.287 -0.026 0.000 1.091 1261 K CB 0.318 32.805 32.500 -0.020 0.000 0.844 1261 K HN -0.174 nan 8.250 nan 0.000 0.507 1262 N N 0.370 119.060 118.700 -0.017 0.000 2.780 1262 N HA -0.164 4.574 4.740 -0.004 0.000 0.248 1262 N C -0.740 174.866 175.510 0.160 0.000 1.102 1262 N CA 1.021 54.086 53.050 0.025 0.000 0.697 1262 N CB -1.518 36.908 38.487 -0.102 0.000 1.028 1262 N HN 0.399 nan 8.380 nan 0.000 0.554 1263 A N -0.611 122.279 122.820 0.117 0.000 2.269 1263 A HA 0.745 5.063 4.320 -0.004 0.000 0.327 1263 A C 0.425 178.035 177.584 0.043 0.000 1.112 1263 A CA -0.179 51.899 52.037 0.068 0.000 0.865 1263 A CB 1.350 20.347 19.000 -0.005 0.000 1.227 1263 A HN 0.202 nan 8.150 nan 0.000 0.498 1264 S N -0.220 115.452 115.700 -0.046 0.000 2.475 1264 S HA 0.440 4.907 4.470 -0.004 0.000 0.281 1264 S C 0.532 175.089 174.600 -0.071 0.000 1.198 1264 S CA -0.595 57.525 58.200 -0.133 0.000 1.063 1264 S CB -0.065 63.025 63.200 -0.185 0.000 0.972 1264 S HN 0.532 nan 8.310 nan 0.000 0.486 1265 L N 4.509 125.687 121.223 -0.075 0.000 2.554 1265 L HA 0.362 4.699 4.340 -0.004 0.000 0.225 1265 L C 1.334 178.205 176.870 0.002 0.000 1.104 1265 L CA 0.388 55.200 54.840 -0.047 0.000 0.866 1265 L CB -0.718 41.318 42.059 -0.038 0.000 1.047 1265 L HN 0.995 nan 8.230 nan 0.000 0.468 1266 G N 0.504 109.339 108.800 0.057 0.000 2.526 1266 G HA2 -0.165 3.793 3.960 -0.004 0.000 0.250 1266 G HA3 -0.165 3.793 3.960 -0.004 0.000 0.250 1266 G C -0.903 174.068 174.900 0.118 0.000 1.289 1266 G CA -0.911 44.320 45.100 0.219 0.000 0.947 1266 G HN -0.040 nan 8.290 nan 0.000 0.517 1267 L N 0.134 121.402 121.223 0.076 0.000 2.312 1267 L HA 0.521 4.859 4.340 -0.004 0.000 0.281 1267 L C 0.968 177.841 176.870 0.004 0.000 1.070 1267 L CA -1.089 53.717 54.840 -0.057 0.000 0.805 1267 L CB 1.577 43.469 42.059 -0.278 0.000 1.174 1267 L HN 0.482 nan 8.230 nan 0.000 0.434 1268 V N 2.972 122.890 119.914 0.007 0.000 2.529 1268 V HA 0.483 4.600 4.120 -0.004 0.000 0.292 1268 V C 0.767 177.000 176.094 0.232 0.000 1.028 1268 V CA 0.598 62.955 62.300 0.095 0.000 1.074 1268 V CB 0.470 32.295 31.823 0.004 0.000 0.958 1268 V HN 1.025 nan 8.190 nan 0.000 0.481 1269 G N 3.878 112.840 108.800 0.271 0.000 2.677 1269 G HA2 0.765 4.722 3.960 -0.004 0.000 0.283 1269 G HA3 0.765 4.722 3.960 -0.004 0.000 0.283 1269 G C -0.632 174.457 174.900 0.314 0.000 1.221 1269 G CA 0.236 45.452 45.100 0.193 0.000 0.851 1269 G HN 0.872 nan 8.290 nan 0.000 0.504 1270 T N -3.060 111.635 114.554 0.236 0.000 2.868 1270 T HA 0.710 5.058 4.350 -0.004 0.000 0.306 1270 T C -1.317 173.472 174.700 0.149 0.000 1.224 1270 T CA -0.563 61.660 62.100 0.206 0.000 1.012 1270 T CB 2.117 71.070 68.868 0.143 0.000 1.221 1270 T HN 1.277 nan 8.240 nan 0.000 0.499 1271 H N 0.913 119.982 119.070 -0.002 0.000 2.954 1271 H HA 0.478 5.032 4.556 -0.004 0.000 0.361 1271 H C -0.909 174.280 175.328 -0.232 0.000 1.122 1271 H CA -0.625 55.332 56.048 -0.152 0.000 1.217 1271 H CB 1.586 31.254 29.762 -0.157 0.000 1.776 1271 H HN 0.797 nan 8.280 nan 0.000 0.533 1272 N N 3.197 121.551 118.700 -0.576 0.000 2.488 1272 N HA 0.435 5.172 4.740 -0.004 0.000 0.274 1272 N C -0.359 174.861 175.510 -0.482 0.000 1.111 1272 N CA 0.797 53.604 53.050 -0.405 0.000 0.974 1272 N CB 1.073 39.352 38.487 -0.346 0.000 1.089 1272 N HN 0.863 nan 8.380 nan 0.000 0.465 1273 G N 1.459 110.017 108.800 -0.403 0.000 2.428 1273 G HA2 0.160 4.118 3.960 -0.004 0.000 0.305 1273 G HA3 0.160 4.118 3.960 -0.004 0.000 0.305 1273 G C -2.097 172.690 174.900 -0.188 0.000 1.260 1273 G CA -0.388 44.441 45.100 -0.451 0.000 0.853 1273 G HN 0.514 nan 8.290 nan 0.000 0.480 1274 Q N 0.345 120.113 119.800 -0.053 0.000 2.406 1274 Q HA 0.423 4.760 4.340 -0.004 0.000 0.244 1274 Q C -1.432 174.610 176.000 0.070 0.000 0.884 1274 Q CA -0.400 55.411 55.803 0.013 0.000 0.813 1274 Q CB 1.541 30.271 28.738 -0.013 0.000 1.368 1274 Q HN 0.549 nan 8.270 nan 0.000 0.439 1275 I N 2.613 123.210 120.570 0.045 0.000 2.428 1275 I HA 0.433 4.600 4.170 -0.004 0.000 0.296 1275 I C 1.345 177.495 176.117 0.055 0.000 0.985 1275 I CA 0.306 61.626 61.300 0.034 0.000 1.260 1275 I CB 1.428 39.382 38.000 -0.075 0.000 1.389 1275 I HN 0.967 nan 8.210 nan 0.000 0.484 1276 G N 5.463 114.292 108.800 0.048 0.000 2.692 1276 G HA2 -0.414 3.544 3.960 -0.004 0.000 0.339 1276 G HA3 -0.414 3.544 3.960 -0.004 0.000 0.339 1276 G C 0.359 175.283 174.900 0.039 0.000 1.226 1276 G CA 1.141 46.270 45.100 0.048 0.000 0.979 1276 G HN 0.972 nan 8.290 nan 0.000 0.549 1277 N N 1.165 119.889 118.700 0.041 0.000 2.451 1277 N HA 0.259 4.997 4.740 -0.004 0.000 0.271 1277 N C -0.489 175.034 175.510 0.022 0.000 1.410 1277 N CA 0.497 53.563 53.050 0.027 0.000 0.884 1277 N CB 0.399 38.899 38.487 0.021 0.000 1.332 1277 N HN 0.496 nan 8.380 nan 0.000 0.498 1278 D N 0.885 121.304 120.400 0.030 0.000 2.433 1278 D HA 0.336 4.974 4.640 -0.004 0.000 0.255 1278 D C -2.160 174.135 176.300 -0.008 0.000 1.226 1278 D CA -0.895 53.109 54.000 0.007 0.000 1.015 1278 D CB 0.359 41.166 40.800 0.012 0.000 1.091 1278 D HN 0.180 nan 8.370 nan 0.000 0.527 1279 P HA 0.163 nan 4.420 nan 0.000 0.278 1279 P C -0.336 176.941 177.300 -0.039 0.000 1.266 1279 P CA -0.664 62.418 63.100 -0.030 0.000 0.807 1279 P CB 0.375 32.055 31.700 -0.032 0.000 1.094 1280 N N 0.901 119.579 118.700 -0.037 0.000 2.232 1280 N HA -0.024 4.714 4.740 -0.004 0.000 0.251 1280 N C -0.196 175.288 175.510 -0.043 0.000 1.242 1280 N CA 1.007 54.028 53.050 -0.048 0.000 0.837 1280 N CB 0.000 38.456 38.487 -0.053 0.000 1.079 1280 N HN 0.284 nan 8.380 nan 0.000 0.461 1281 R N 0.885 121.362 120.500 -0.039 0.000 2.629 1281 R HA 0.232 4.570 4.340 -0.004 0.000 0.266 1281 R C -1.633 174.691 176.300 0.040 0.000 1.051 1281 R CA -0.826 55.286 56.100 0.019 0.000 0.895 1281 R CB 1.311 31.624 30.300 0.021 0.000 1.246 1281 R HN 0.496 nan 8.270 nan 0.000 0.459 1282 D N 2.764 123.222 120.400 0.097 0.000 2.338 1282 D HA 0.217 4.854 4.640 -0.004 0.000 0.255 1282 D C -0.192 176.230 176.300 0.203 0.000 1.237 1282 D CA 0.388 54.438 54.000 0.084 0.000 0.883 1282 D CB 0.851 41.693 40.800 0.070 0.000 1.087 1282 D HN 0.238 nan 8.370 nan 0.000 0.485 1283 I N 2.489 123.178 120.570 0.199 0.000 2.460 1283 I HA 0.154 4.322 4.170 -0.004 0.000 0.298 1283 I C 0.444 176.740 176.117 0.297 0.000 0.989 1283 I CA -0.843 60.634 61.300 0.296 0.000 1.173 1283 I CB 1.738 39.887 38.000 0.248 0.000 1.338 1283 I HN 0.052 nan 8.210 nan 0.000 0.456 1284 L N 6.216 127.625 121.223 0.310 0.000 2.410 1284 L HA 0.306 4.644 4.340 -0.004 0.000 0.273 1284 L C -0.232 176.766 176.870 0.213 0.000 1.152 1284 L CA 0.150 55.153 54.840 0.271 0.000 0.855 1284 L CB 0.125 42.316 42.059 0.220 0.000 1.129 1284 L HN 0.525 nan 8.230 nan 0.000 0.463 1285 I N 0.627 121.318 120.570 0.201 0.000 3.279 1285 I HA 0.885 5.053 4.170 -0.004 0.000 0.315 1285 I C -0.663 175.522 176.117 0.113 0.000 1.187 1285 I CA -0.994 60.385 61.300 0.131 0.000 0.953 1285 I CB 2.032 40.114 38.000 0.137 0.000 1.279 1285 I HN 0.446 nan 8.210 nan 0.000 0.465 1286 A N 1.459 124.300 122.820 0.036 0.000 2.335 1286 A HA 0.930 5.247 4.320 -0.004 0.000 0.304 1286 A C -0.584 177.026 177.584 0.045 0.000 1.118 1286 A CA 0.009 52.075 52.037 0.049 0.000 0.757 1286 A CB 0.761 19.758 19.000 -0.005 0.000 1.188 1286 A HN 1.294 nan 8.150 nan 0.000 0.460 1287 S N 1.404 117.205 115.700 0.169 0.000 2.556 1287 S HA 0.420 4.888 4.470 -0.004 0.000 0.271 1287 S C -0.085 174.696 174.600 0.301 0.000 1.135 1287 S CA -0.861 57.444 58.200 0.175 0.000 0.858 1287 S CB 1.322 64.603 63.200 0.135 0.000 1.114 1287 S HN 0.478 nan 8.310 nan 0.000 0.468 1288 N N -0.119 118.760 118.700 0.298 0.000 2.494 1288 N HA -0.023 4.714 4.740 -0.004 0.000 0.182 1288 N C 0.978 176.740 175.510 0.420 0.000 1.076 1288 N CA 0.413 53.742 53.050 0.465 0.000 0.908 1288 N CB -0.296 38.358 38.487 0.277 0.000 0.967 1288 N HN 0.824 nan 8.380 nan 0.000 0.449 1289 W N 1.560 122.910 121.300 0.083 0.000 2.290 1289 W HA -0.285 4.372 4.660 -0.005 0.000 0.311 1289 W C 1.453 177.938 176.519 -0.057 0.000 1.238 1289 W CA 1.620 58.942 57.345 -0.039 0.000 1.255 1289 W CB -0.489 28.823 29.460 -0.245 0.000 1.145 1289 W HN 0.088 nan 8.180 nan 0.000 0.506 1290 Y N -1.422 119.085 120.300 0.344 0.000 2.224 1290 Y HA -0.197 4.351 4.550 -0.003 0.000 0.289 1290 Y C 2.107 177.974 175.900 -0.054 0.000 1.146 1290 Y CA 1.732 59.906 58.100 0.124 0.000 1.182 1290 Y CB -1.421 37.035 38.460 -0.005 0.000 0.983 1290 Y HN -0.157 nan 8.280 nan 0.000 0.524 1291 F N 0.180 120.219 119.950 0.149 0.000 2.346 1291 F HA -0.243 4.282 4.527 -0.004 0.000 0.301 1291 F C 1.732 177.487 175.800 -0.074 0.000 1.070 1291 F CA 1.242 59.262 58.000 0.034 0.000 1.407 1291 F CB -0.410 38.599 39.000 0.016 0.000 1.072 1291 F HN 0.166 nan 8.300 nan 0.000 0.543 1292 N N -1.428 117.249 118.700 -0.038 0.000 2.280 1292 N HA -0.007 4.730 4.740 -0.004 0.000 0.192 1292 N C 0.378 175.588 175.510 -0.500 0.000 1.109 1292 N CA 0.422 53.313 53.050 -0.266 0.000 0.855 1292 N CB -0.050 38.208 38.487 -0.382 0.000 0.974 1292 N HN 0.396 nan 8.380 nan 0.000 0.482 1293 H N -0.467 118.454 119.070 -0.248 0.000 2.923 1293 H HA 0.315 4.868 4.556 -0.004 0.000 0.268 1293 H C 1.659 176.946 175.328 -0.069 0.000 1.148 1293 H CA -0.220 55.707 56.048 -0.202 0.000 1.146 1293 H CB 0.455 30.019 29.762 -0.330 0.000 1.607 1293 H HN -0.045 nan 8.280 nan 0.000 0.566 1294 L N 0.484 121.724 121.223 0.029 0.000 2.369 1294 L HA -0.249 4.088 4.340 -0.004 0.000 0.220 1294 L C 1.340 178.219 176.870 0.015 0.000 1.119 1294 L CA 1.549 56.404 54.840 0.026 0.000 0.780 1294 L CB -0.194 41.879 42.059 0.024 0.000 0.906 1294 L HN 0.338 nan 8.230 nan 0.000 0.442 1295 K N -0.877 119.524 120.400 0.002 0.000 2.374 1295 K HA 0.123 4.441 4.320 -0.004 0.000 0.196 1295 K C 0.045 176.653 176.600 0.015 0.000 1.023 1295 K CA -0.197 56.089 56.287 -0.000 0.000 1.103 1295 K CB 0.270 32.759 32.500 -0.018 0.000 0.848 1295 K HN 0.290 nan 8.250 nan 0.000 0.528 1296 D N 1.843 122.267 120.400 0.039 0.000 2.378 1296 D HA -0.009 4.629 4.640 -0.004 0.000 0.238 1296 D C 0.990 177.310 176.300 0.033 0.000 1.180 1296 D CA 0.342 54.372 54.000 0.051 0.000 0.895 1296 D CB 1.172 42.025 40.800 0.089 0.000 1.192 1296 D HN -0.099 nan 8.370 nan 0.000 0.438 1297 K N 0.179 120.597 120.400 0.029 0.000 2.062 1297 K HA 0.006 4.323 4.320 -0.004 0.000 0.205 1297 K C 0.525 177.133 176.600 0.014 0.000 1.051 1297 K CA 0.665 56.965 56.287 0.021 0.000 0.941 1297 K CB 0.251 32.766 32.500 0.024 0.000 0.719 1297 K HN 0.360 nan 8.250 nan 0.000 0.440 1298 I N 1.312 121.891 120.570 0.016 0.000 2.530 1298 I HA 0.329 4.497 4.170 -0.004 0.000 0.297 1298 I C -0.726 175.397 176.117 0.010 0.000 1.011 1298 I CA -1.078 60.221 61.300 -0.002 0.000 1.107 1298 I CB 1.551 39.550 38.000 -0.001 0.000 1.285 1298 I HN -0.079 nan 8.210 nan 0.000 0.436 1299 L N 3.421 124.632 121.223 -0.021 0.000 2.526 1299 L HA 0.556 4.893 4.340 -0.004 0.000 0.263 1299 L C 0.746 177.569 176.870 -0.078 0.000 0.943 1299 L CA -0.055 54.801 54.840 0.027 0.000 0.859 1299 L CB 2.067 44.153 42.059 0.044 0.000 1.313 1299 L HN 0.700 nan 8.230 nan 0.000 0.406 1300 G N 1.603 110.411 108.800 0.014 0.000 2.625 1300 G HA2 -0.145 3.813 3.960 -0.004 0.000 0.214 1300 G HA3 -0.145 3.813 3.960 -0.004 0.000 0.214 1300 G C 1.044 175.645 174.900 -0.499 0.000 1.132 1300 G CA 0.901 45.904 45.100 -0.162 0.000 0.782 1300 G HN 0.917 nan 8.290 nan 0.000 0.538 1301 C N -0.947 117.963 119.300 -0.649 0.000 2.696 1301 C HA 0.294 4.751 4.460 -0.004 0.000 0.264 1301 C C 0.029 174.729 174.990 -0.482 0.000 1.288 1301 C CA -1.386 57.177 59.018 -0.759 0.000 1.717 1301 C CB -0.337 26.738 27.740 -1.108 0.000 1.893 1301 C HN 0.146 nan 8.230 nan 0.000 0.577 1302 D N 0.687 120.809 120.400 -0.463 0.000 2.308 1302 D HA 0.310 4.948 4.640 -0.004 0.000 0.251 1302 D C -0.896 175.104 176.300 -0.500 0.000 1.127 1302 D CA 0.663 54.460 54.000 -0.338 0.000 0.876 1302 D CB 0.623 41.262 40.800 -0.269 0.000 1.176 1302 D HN 0.633 nan 8.370 nan 0.000 0.446 1303 W N 1.377 122.570 121.300 -0.178 0.000 2.844 1303 W HA 0.325 4.983 4.660 -0.004 0.000 0.340 1303 W C -0.598 175.889 176.519 -0.053 0.000 1.093 1303 W CA -0.949 56.294 57.345 -0.170 0.000 1.212 1303 W CB 1.037 30.397 29.460 -0.167 0.000 1.422 1303 W HN 0.197 nan 8.180 nan 0.000 0.515 1304 Y N 2.024 122.491 120.300 0.278 0.000 2.330 1304 Y HA 0.435 4.983 4.550 -0.004 0.000 0.336 1304 Y C -0.358 175.635 175.900 0.155 0.000 1.036 1304 Y CA -1.263 56.993 58.100 0.259 0.000 1.125 1304 Y CB 0.476 39.034 38.460 0.163 0.000 1.194 1304 Y HN 0.086 nan 8.280 nan 0.000 0.469 1305 F N 2.551 122.609 119.950 0.179 0.000 2.405 1305 F HA 0.500 5.025 4.527 -0.004 0.000 0.355 1305 F C -0.266 175.641 175.800 0.178 0.000 1.121 1305 F CA -1.145 56.882 58.000 0.044 0.000 1.112 1305 F CB 0.948 39.712 39.000 -0.393 0.000 1.126 1305 F HN 0.043 nan 8.300 nan 0.000 0.481 1306 V N 5.812 125.948 119.914 0.370 0.000 2.350 1306 V HA 0.419 4.536 4.120 -0.004 0.000 0.285 1306 V C -2.358 174.034 176.094 0.496 0.000 1.014 1306 V CA -1.835 60.591 62.300 0.210 0.000 0.831 1306 V CB 1.379 33.131 31.823 -0.119 0.000 1.000 1306 V HN 0.485 nan 8.190 nan 0.000 0.433 1307 P HA 0.402 nan 4.420 nan 0.000 0.285 1307 P C -0.147 177.470 177.300 0.528 0.000 1.269 1307 P CA -0.455 62.874 63.100 0.382 0.000 0.844 1307 P CB 0.723 32.578 31.700 0.258 0.000 1.094 1308 T N -1.214 113.474 114.554 0.224 0.000 2.916 1308 T HA 0.257 4.604 4.350 -0.004 0.000 0.303 1308 T C -0.266 174.536 174.700 0.170 0.000 1.025 1308 T CA -0.220 61.859 62.100 -0.035 0.000 1.142 1308 T CB 0.252 68.918 68.868 -0.338 0.000 0.947 1308 T HN 0.425 nan 8.240 nan 0.000 0.544 1309 D N 1.014 121.546 120.400 0.220 0.000 2.857 1309 D HA 0.104 4.741 4.640 -0.004 0.000 0.227 1309 D C 0.999 177.332 176.300 0.054 0.000 1.192 1309 D CA -0.529 53.509 54.000 0.063 0.000 0.857 1309 D CB 2.054 42.739 40.800 -0.192 0.000 1.645 1309 D HN 0.818 nan 8.370 nan 0.000 0.482 1310 E N 1.537 121.753 120.200 0.028 0.000 2.267 1310 E HA -0.106 4.241 4.350 -0.004 0.000 0.197 1310 E C 1.357 178.018 176.600 0.103 0.000 0.998 1310 E CA 1.100 57.545 56.400 0.075 0.000 0.830 1310 E CB -0.140 29.607 29.700 0.079 0.000 0.751 1310 E HN 0.429 nan 8.360 nan 0.000 0.491 1311 G N 0.272 109.099 108.800 0.045 0.000 2.650 1311 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.214 1311 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.214 1311 G C -0.325 174.561 174.900 -0.024 0.000 1.136 1311 G CA -0.181 44.924 45.100 0.008 0.000 0.789 1311 G HN 0.306 nan 8.290 nan 0.000 0.536 1312 W N 1.639 122.841 121.300 -0.164 0.000 2.543 1312 W HA 0.617 5.275 4.660 -0.004 0.000 0.318 1312 W C -1.429 175.154 176.519 0.107 0.000 1.002 1312 W CA -0.817 56.496 57.345 -0.053 0.000 1.302 1312 W CB 1.332 30.793 29.460 0.002 0.000 1.299 1312 W HN -0.238 nan 8.180 nan 0.000 0.424 1313 T N 5.783 120.417 114.554 0.133 0.000 2.829 1313 T HA 0.258 4.606 4.350 -0.004 0.000 0.280 1313 T C -0.046 174.692 174.700 0.064 0.000 0.999 1313 T CA -0.480 61.740 62.100 0.200 0.000 0.983 1313 T CB 1.067 69.981 68.868 0.076 0.000 0.968 1313 T HN 0.182 nan 8.240 nan 0.000 0.446 1314 N N 3.432 122.270 118.700 0.230 0.000 2.497 1314 N HA 0.147 4.885 4.740 -0.004 0.000 0.271 1314 N C 0.122 175.633 175.510 0.002 0.000 1.142 1314 N CA -0.156 53.014 53.050 0.200 0.000 0.965 1314 N CB 0.618 39.283 38.487 0.295 0.000 1.077 1314 N HN 0.577 nan 8.380 nan 0.000 0.462 1315 D N 0.000 120.289 120.400 -0.185 0.000 6.856 1315 D HA 0.000 4.638 4.640 -0.004 0.000 0.175 1315 D CA 0.000 53.726 54.000 -0.456 0.000 0.868 1315 D CB 0.000 40.121 40.800 -1.132 0.000 0.688 1315 D HN 0.000 nan 8.370 nan 0.000 0.683