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 1fv3_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 0.000 176.627 176.600 0.045 0.000 0.988 865 K CA 0.000 56.310 56.287 0.038 0.000 0.838 865 K CB 0.000 32.523 32.500 0.038 0.000 1.064 866 N N 1.075 119.796 118.700 0.035 0.000 2.171 866 N HA -0.220 4.530 4.740 0.017 0.000 0.200 866 N C 1.030 176.567 175.510 0.044 0.000 0.991 866 N CA 1.612 54.681 53.050 0.032 0.000 0.906 866 N CB -0.063 38.439 38.487 0.025 0.000 1.060 866 N HN 0.256 nan 8.380 nan 0.000 0.510 867 L N -0.254 121.005 121.223 0.060 0.000 2.693 867 L HA 0.123 4.473 4.340 0.017 0.000 0.235 867 L C -0.199 176.736 176.870 0.109 0.000 1.127 867 L CA -0.239 54.651 54.840 0.083 0.000 0.914 867 L CB 0.133 42.251 42.059 0.098 0.000 1.193 867 L HN -0.009 nan 8.230 nan 0.000 0.502 868 D N -0.766 119.695 120.400 0.101 0.000 2.352 868 D HA -0.033 4.617 4.640 0.017 0.000 0.238 868 D C 1.060 177.454 176.300 0.156 0.000 1.286 868 D CA 0.176 54.253 54.000 0.129 0.000 0.923 868 D CB 0.966 41.831 40.800 0.109 0.000 1.146 868 D HN 0.175 nan 8.370 nan 0.000 0.471 869 c N -1.185 117.554 118.600 0.232 0.000 3.400 869 c HA 0.177 4.757 4.570 0.017 0.000 0.290 869 c C 1.346 175.590 174.090 0.256 0.000 1.318 869 c CA -0.524 55.974 56.329 0.282 0.000 1.725 869 c CB -0.944 41.867 42.510 0.502 0.000 2.171 869 c HN 0.546 nan 8.230 nan 0.000 0.521 870 W N 1.845 123.193 121.300 0.080 0.000 2.112 870 W HA 0.449 5.119 4.660 0.017 0.000 0.349 870 W C 0.246 176.796 176.519 0.050 0.000 1.289 870 W CA 0.285 57.672 57.345 0.069 0.000 1.256 870 W CB 0.942 30.448 29.460 0.076 0.000 1.148 870 W HN 0.430 nan 8.180 nan 0.000 0.590 871 V N -0.155 119.846 119.914 0.144 0.000 2.711 871 V HA 0.171 4.301 4.120 0.017 0.000 0.335 871 V C -0.617 175.534 176.094 0.095 0.000 1.235 871 V CA -0.344 62.003 62.300 0.079 0.000 1.250 871 V CB 0.291 32.110 31.823 -0.006 0.000 1.469 871 V HN 0.381 nan 8.190 nan 0.000 0.646 872 D N 1.534 122.027 120.400 0.154 0.000 3.013 872 D HA 0.287 4.937 4.640 0.017 0.000 0.256 872 D C 0.117 176.469 176.300 0.087 0.000 1.573 872 D CA 0.608 54.683 54.000 0.126 0.000 1.197 872 D CB 0.312 41.219 40.800 0.178 0.000 1.041 872 D HN 0.516 nan 8.370 nan 0.000 0.304 873 N N 0.260 119.010 118.700 0.083 0.000 2.577 873 N HA 0.186 4.936 4.740 0.017 0.000 0.275 873 N C -1.192 174.341 175.510 0.038 0.000 1.091 873 N CA -0.202 52.879 53.050 0.051 0.000 0.843 873 N CB 1.551 40.061 38.487 0.039 0.000 1.295 873 N HN -0.043 nan 8.380 nan 0.000 0.530 874 E N 0.566 120.786 120.200 0.032 0.000 2.385 874 E HA -0.044 4.316 4.350 0.017 0.000 0.201 874 E C 0.216 176.819 176.600 0.005 0.000 1.250 874 E CA 0.742 57.153 56.400 0.020 0.000 1.104 874 E CB 0.100 29.812 29.700 0.019 0.000 1.174 874 E HN 0.576 nan 8.360 nan 0.000 0.461 875 E N -0.281 119.920 120.200 0.002 0.000 2.399 875 E HA 0.064 4.424 4.350 0.017 0.000 0.206 875 E C -0.141 176.449 176.600 -0.016 0.000 0.812 875 E CA 0.032 56.428 56.400 -0.008 0.000 1.138 875 E CB 0.453 30.150 29.700 -0.005 0.000 1.140 875 E HN 0.101 nan 8.360 nan 0.000 0.536 876 D N 1.229 121.620 120.400 -0.015 0.000 2.479 876 D HA 0.065 4.715 4.640 0.017 0.000 0.218 876 D C 1.070 177.349 176.300 -0.035 0.000 1.131 876 D CA -0.055 53.931 54.000 -0.024 0.000 0.916 876 D CB 0.440 41.228 40.800 -0.019 0.000 1.022 876 D HN 0.048 nan 8.370 nan 0.000 0.515 877 I N 1.703 122.245 120.570 -0.046 0.000 2.300 877 I HA -0.263 3.917 4.170 0.017 0.000 0.252 877 I C 1.899 177.976 176.117 -0.067 0.000 1.119 877 I CA 1.157 62.419 61.300 -0.064 0.000 1.384 877 I CB -0.628 37.328 38.000 -0.074 0.000 1.062 877 I HN 0.438 nan 8.210 nan 0.000 0.426 878 D N 1.309 121.673 120.400 -0.060 0.000 2.077 878 D HA -0.123 4.527 4.640 0.017 0.000 0.196 878 D C 2.251 178.518 176.300 -0.055 0.000 0.986 878 D CA 1.244 55.206 54.000 -0.063 0.000 0.829 878 D CB -0.078 40.687 40.800 -0.059 0.000 0.983 878 D HN 0.134 nan 8.370 nan 0.000 0.453 879 V N 0.984 120.870 119.914 -0.047 0.000 2.594 879 V HA -0.196 3.934 4.120 0.017 0.000 0.253 879 V C 2.616 178.679 176.094 -0.052 0.000 1.069 879 V CA 1.032 63.305 62.300 -0.046 0.000 1.082 879 V CB -0.343 31.461 31.823 -0.031 0.000 0.680 879 V HN 0.266 nan 8.190 nan 0.000 0.469 880 I N -0.707 119.835 120.570 -0.046 0.000 2.252 880 I HA -0.236 3.944 4.170 0.017 0.000 0.245 880 I C 2.220 178.311 176.117 -0.042 0.000 1.102 880 I CA 1.409 62.681 61.300 -0.046 0.000 1.385 880 I CB -0.297 37.676 38.000 -0.044 0.000 1.064 880 I HN 0.253 nan 8.210 nan 0.000 0.414 881 L N 0.409 121.614 121.223 -0.030 0.000 2.046 881 L HA -0.230 4.120 4.340 0.017 0.000 0.208 881 L C 2.588 179.525 176.870 0.112 0.000 1.077 881 L CA 1.482 56.366 54.840 0.072 0.000 0.747 881 L CB -0.633 41.461 42.059 0.059 0.000 0.896 881 L HN 0.181 nan 8.230 nan 0.000 0.432 882 K N 0.535 120.928 120.400 -0.012 0.000 1.963 882 K HA -0.182 4.148 4.320 0.017 0.000 0.216 882 K C 2.186 178.682 176.600 -0.173 0.000 1.045 882 K CA 1.451 57.690 56.287 -0.080 0.000 0.954 882 K CB -0.042 32.402 32.500 -0.094 0.000 0.732 882 K HN 0.081 nan 8.250 nan 0.000 0.442 883 K N 0.066 120.328 120.400 -0.231 0.000 2.173 883 K HA -0.153 4.176 4.320 0.017 0.000 0.207 883 K C 2.014 178.153 176.600 -0.770 0.000 1.046 883 K CA 1.419 57.419 56.287 -0.479 0.000 0.929 883 K CB -0.168 32.091 32.500 -0.401 0.000 0.720 883 K HN 0.055 nan 8.250 nan 0.000 0.453 884 S N 0.220 115.702 115.700 -0.362 0.000 2.556 884 S HA 0.031 4.511 4.470 0.017 0.000 0.216 884 S C 0.090 174.699 174.600 0.015 0.000 0.970 884 S CA -0.109 57.979 58.200 -0.187 0.000 0.912 884 S CB 0.299 63.537 63.200 0.064 0.000 0.790 884 S HN 0.142 nan 8.310 nan 0.000 0.504 885 T N 2.214 116.723 114.554 -0.075 0.000 2.869 885 T HA 0.362 4.722 4.350 0.017 0.000 0.295 885 T C 1.152 175.821 174.700 -0.052 0.000 0.987 885 T CA -0.230 61.774 62.100 -0.160 0.000 1.109 885 T CB 1.023 69.731 68.868 -0.267 0.000 0.932 885 T HN 0.442 nan 8.240 nan 0.000 0.518 886 I N 0.676 121.277 120.570 0.052 0.000 4.403 886 I HA 0.562 4.742 4.170 0.017 0.000 0.331 886 I C -0.372 175.927 176.117 0.303 0.000 1.327 886 I CA -0.283 61.242 61.300 0.376 0.000 1.175 886 I CB 0.541 38.729 38.000 0.313 0.000 1.165 886 I HN 0.302 nan 8.210 nan 0.000 0.413 887 L N 1.509 122.771 121.223 0.067 0.000 2.513 887 L HA 0.634 4.984 4.340 0.017 0.000 0.261 887 L C -2.045 174.805 176.870 -0.033 0.000 0.945 887 L CA -0.286 54.599 54.840 0.076 0.000 0.848 887 L CB 2.115 44.254 42.059 0.133 0.000 1.334 887 L HN 0.112 nan 8.230 nan 0.000 0.407 888 N N 4.748 123.458 118.700 0.017 0.000 2.621 888 N HA 0.339 5.089 4.740 0.017 0.000 0.271 888 N C -1.736 173.825 175.510 0.085 0.000 1.181 888 N CA -0.315 52.740 53.050 0.009 0.000 0.805 888 N CB 1.216 39.675 38.487 -0.048 0.000 1.351 888 N HN 0.703 nan 8.380 nan 0.000 0.539 889 L N 2.029 123.348 121.223 0.160 0.000 2.485 889 L HA 0.213 4.563 4.340 0.017 0.000 0.279 889 L C 0.343 177.298 176.870 0.142 0.000 1.124 889 L CA 0.051 54.997 54.840 0.177 0.000 0.888 889 L CB 0.135 42.353 42.059 0.265 0.000 1.217 889 L HN 0.442 nan 8.230 nan 0.000 0.464 890 D N 3.913 124.371 120.400 0.097 0.000 2.340 890 D HA 0.642 5.292 4.640 0.017 0.000 0.243 890 D C -0.700 175.635 176.300 0.059 0.000 0.988 890 D CA -0.371 53.672 54.000 0.073 0.000 0.959 890 D CB 1.860 42.689 40.800 0.049 0.000 1.226 890 D HN 0.215 nan 8.370 nan 0.000 0.509 891 I N 1.849 122.442 120.570 0.038 0.000 2.582 891 I HA 0.402 4.582 4.170 0.017 0.000 0.292 891 I C -0.767 175.356 176.117 0.010 0.000 1.066 891 I CA -0.829 60.489 61.300 0.031 0.000 1.053 891 I CB 1.842 39.862 38.000 0.034 0.000 1.241 891 I HN 0.204 nan 8.210 nan 0.000 0.421 892 N N 5.798 124.505 118.700 0.011 0.000 2.455 892 N HA 0.210 4.960 4.740 0.017 0.000 0.285 892 N C -0.978 174.535 175.510 0.006 0.000 1.080 892 N CA -0.569 52.482 53.050 0.002 0.000 0.932 892 N CB 2.078 40.566 38.487 0.002 0.000 1.610 892 N HN 0.651 nan 8.380 nan 0.000 0.493 893 N N 1.938 120.639 118.700 0.002 0.000 2.716 893 N HA -0.209 4.540 4.740 0.017 0.000 0.250 893 N C -0.897 174.621 175.510 0.013 0.000 1.033 893 N CA 0.854 53.908 53.050 0.007 0.000 0.727 893 N CB -0.513 37.978 38.487 0.006 0.000 0.950 893 N HN 0.700 nan 8.380 nan 0.000 0.541 894 D N -1.951 118.459 120.400 0.016 0.000 3.077 894 D HA -0.157 4.493 4.640 0.017 0.000 0.212 894 D C -0.230 176.086 176.300 0.026 0.000 1.125 894 D CA 0.982 54.996 54.000 0.023 0.000 0.970 894 D CB -0.726 40.087 40.800 0.023 0.000 1.110 894 D HN 0.460 nan 8.370 nan 0.000 0.419 895 I N 1.208 121.792 120.570 0.024 0.000 2.474 895 I HA 0.371 4.551 4.170 0.017 0.000 0.294 895 I C 0.908 177.046 176.117 0.036 0.000 1.005 895 I CA -0.849 60.468 61.300 0.028 0.000 1.113 895 I CB 1.467 39.480 38.000 0.021 0.000 1.289 895 I HN -0.140 nan 8.210 nan 0.000 0.436 896 I N 5.371 125.968 120.570 0.045 0.000 2.371 896 I HA 0.293 4.473 4.170 0.017 0.000 0.290 896 I C 0.466 176.617 176.117 0.057 0.000 1.028 896 I CA 0.100 61.435 61.300 0.058 0.000 1.345 896 I CB 0.916 38.958 38.000 0.069 0.000 1.407 896 I HN 0.681 nan 8.210 nan 0.000 0.501 897 S N 3.035 118.771 115.700 0.060 0.000 2.618 897 S HA 0.413 4.893 4.470 0.017 0.000 0.277 897 S C -1.091 173.551 174.600 0.069 0.000 1.138 897 S CA -1.074 57.162 58.200 0.059 0.000 0.844 897 S CB 2.220 65.445 63.200 0.042 0.000 1.127 897 S HN 0.574 nan 8.310 nan 0.000 0.474 898 D N 0.505 120.948 120.400 0.072 0.000 2.312 898 D HA 0.337 4.986 4.640 0.017 0.000 0.252 898 D C 0.686 177.007 176.300 0.036 0.000 1.150 898 D CA -0.705 53.339 54.000 0.073 0.000 0.870 898 D CB 0.528 41.385 40.800 0.094 0.000 1.153 898 D HN 0.662 nan 8.370 nan 0.000 0.457 899 I N 0.504 121.082 120.570 0.013 0.000 4.081 899 I HA 0.226 4.406 4.170 0.017 0.000 0.333 899 I C 0.535 176.602 176.117 -0.084 0.000 1.413 899 I CA -0.641 60.644 61.300 -0.024 0.000 1.110 899 I CB 0.065 38.058 38.000 -0.011 0.000 1.082 899 I HN 0.189 nan 8.210 nan 0.000 0.402 900 S N 1.136 116.767 115.700 -0.114 0.000 2.598 900 S HA 0.278 4.758 4.470 0.017 0.000 0.256 900 S C 1.410 175.822 174.600 -0.313 0.000 1.350 900 S CA 0.087 58.128 58.200 -0.265 0.000 0.984 900 S CB 0.751 63.777 63.200 -0.291 0.000 0.930 900 S HN 0.369 nan 8.310 nan 0.000 0.577 901 G N -0.886 107.585 108.800 -0.548 0.000 2.848 901 G HA2 0.080 4.050 3.960 0.017 0.000 0.208 901 G HA3 0.080 4.050 3.960 0.017 0.000 0.208 901 G C 0.640 175.403 174.900 -0.228 0.000 1.152 901 G CA -0.162 44.713 45.100 -0.375 0.000 0.789 901 G HN 0.700 nan 8.290 nan 0.000 0.531 902 F N 0.287 120.255 119.950 0.029 0.000 2.661 902 F HA 0.119 4.656 4.527 0.017 0.000 0.298 902 F C 1.187 177.008 175.800 0.036 0.000 1.137 902 F CA 0.120 58.144 58.000 0.040 0.000 1.454 902 F CB -0.373 38.654 39.000 0.045 0.000 1.103 902 F HN 0.146 nan 8.300 nan 0.000 0.577 903 N N 0.388 119.175 118.700 0.145 0.000 2.740 903 N HA -0.188 4.562 4.740 0.017 0.000 0.248 903 N C -0.233 175.352 175.510 0.125 0.000 1.062 903 N CA -0.091 53.024 53.050 0.108 0.000 0.704 903 N CB -1.199 37.343 38.487 0.092 0.000 0.968 903 N HN 0.082 nan 8.380 nan 0.000 0.547 904 S N 0.243 116.031 115.700 0.146 0.000 2.576 904 S HA 0.230 4.710 4.470 0.017 0.000 0.272 904 S C 0.717 175.387 174.600 0.118 0.000 1.352 904 S CA -0.398 57.878 58.200 0.126 0.000 1.021 904 S CB 0.705 63.982 63.200 0.128 0.000 0.887 904 S HN 0.373 nan 8.310 nan 0.000 0.542 905 S N 0.974 116.753 115.700 0.133 0.000 2.525 905 S HA 0.670 5.150 4.470 0.017 0.000 0.290 905 S C -0.499 174.173 174.600 0.120 0.000 1.152 905 S CA -0.956 57.315 58.200 0.117 0.000 1.072 905 S CB 1.148 64.410 63.200 0.104 0.000 1.027 905 S HN 0.567 nan 8.310 nan 0.000 0.500 906 V N 0.415 120.384 119.914 0.091 0.000 2.540 906 V HA 0.611 4.741 4.120 0.017 0.000 0.302 906 V C -0.865 175.271 176.094 0.071 0.000 1.035 906 V CA -0.917 61.437 62.300 0.089 0.000 0.873 906 V CB 1.114 32.989 31.823 0.088 0.000 0.992 906 V HN 0.798 nan 8.190 nan 0.000 0.428 907 I N 3.053 123.676 120.570 0.088 0.000 2.355 907 I HA 0.416 4.596 4.170 0.017 0.000 0.288 907 I C 0.271 176.470 176.117 0.136 0.000 0.999 907 I CA -0.058 61.286 61.300 0.073 0.000 1.163 907 I CB 1.559 39.611 38.000 0.087 0.000 1.316 907 I HN 0.704 nan 8.210 nan 0.000 0.454 908 T N 6.521 121.116 114.554 0.069 0.000 2.738 908 T HA 0.402 4.762 4.350 0.017 0.000 0.298 908 T C 0.149 174.896 174.700 0.078 0.000 0.962 908 T CA -0.228 61.937 62.100 0.108 0.000 0.972 908 T CB 0.205 69.109 68.868 0.061 0.000 0.928 908 T HN 0.133 nan 8.240 nan 0.000 0.474 909 Y N 4.009 124.303 120.300 -0.009 0.000 2.223 909 Y HA 0.153 4.713 4.550 0.016 0.000 0.352 909 Y C -0.925 174.971 175.900 -0.006 0.000 1.293 909 Y CA -1.489 56.605 58.100 -0.011 0.000 1.601 909 Y CB -0.102 38.347 38.460 -0.018 0.000 1.407 909 Y HN 0.439 nan 8.280 nan 0.000 0.639 910 P HA -0.100 nan 4.420 nan 0.000 0.221 910 P C 0.375 177.710 177.300 0.058 0.000 1.150 910 P CA 1.607 64.735 63.100 0.046 0.000 0.800 910 P CB 0.331 32.050 31.700 0.033 0.000 0.787 911 D N -1.019 119.427 120.400 0.077 0.000 2.463 911 D HA 0.273 4.923 4.640 0.017 0.000 0.224 911 D C -0.071 176.259 176.300 0.051 0.000 1.174 911 D CA -0.403 53.628 54.000 0.051 0.000 0.829 911 D CB -0.303 40.517 40.800 0.035 0.000 0.993 911 D HN -0.045 nan 8.370 nan 0.000 0.497 912 A N 0.387 123.248 122.820 0.068 0.000 2.363 912 A HA 0.497 4.827 4.320 0.017 0.000 0.270 912 A C 0.166 177.796 177.584 0.077 0.000 1.121 912 A CA -0.160 51.917 52.037 0.066 0.000 0.800 912 A CB 0.593 19.640 19.000 0.079 0.000 1.052 912 A HN 0.205 nan 8.150 nan 0.000 0.493 913 Q N 0.947 120.808 119.800 0.102 0.000 2.345 913 Q HA 0.607 4.957 4.340 0.017 0.000 0.268 913 Q C -1.227 174.867 176.000 0.156 0.000 1.054 913 Q CA -0.543 55.342 55.803 0.136 0.000 0.835 913 Q CB 2.170 31.036 28.738 0.214 0.000 1.339 913 Q HN 0.719 nan 8.270 nan 0.000 0.447 914 L N 2.991 124.283 121.223 0.115 0.000 2.307 914 L HA 0.694 5.044 4.340 0.017 0.000 0.284 914 L C -0.276 176.647 176.870 0.089 0.000 1.023 914 L CA -0.885 54.020 54.840 0.109 0.000 0.810 914 L CB 1.274 43.379 42.059 0.078 0.000 1.231 914 L HN 0.456 nan 8.230 nan 0.000 0.423 915 V N 1.094 121.075 119.914 0.111 0.000 3.160 915 V HA 0.659 4.789 4.120 0.017 0.000 0.310 915 V C -2.698 173.475 176.094 0.132 0.000 1.181 915 V CA -2.700 59.651 62.300 0.085 0.000 1.047 915 V CB 1.737 33.575 31.823 0.025 0.000 1.068 915 V HN 0.483 nan 8.190 nan 0.000 0.441 916 P HA 0.325 nan 4.420 nan 0.000 0.263 916 P C 0.131 177.511 177.300 0.133 0.000 1.175 916 P CA 1.029 64.206 63.100 0.127 0.000 0.761 916 P CB 0.314 32.117 31.700 0.173 0.000 0.794 917 G N 1.320 110.050 108.800 -0.117 0.000 3.016 917 G HA2 0.336 4.306 3.960 0.017 0.000 0.270 917 G HA3 0.336 4.306 3.960 0.017 0.000 0.270 917 G C 0.287 174.713 174.900 -0.790 0.000 1.352 917 G CA -0.715 44.079 45.100 -0.510 0.000 1.060 917 G HN 0.466 nan 8.290 nan 0.000 0.538 918 I N -0.724 119.108 120.570 -1.230 0.000 3.176 918 I HA 0.151 4.330 4.170 0.017 0.000 0.275 918 I C 0.681 176.370 176.117 -0.713 0.000 1.298 918 I CA 0.527 61.156 61.300 -1.118 0.000 1.445 918 I CB -0.078 36.947 38.000 -1.625 0.000 1.075 918 I HN 0.448 nan 8.210 nan 0.000 0.482 919 N N 0.363 118.716 118.700 -0.578 0.000 3.091 919 N HA 0.394 5.144 4.740 0.017 0.000 0.185 919 N C -0.350 174.949 175.510 -0.352 0.000 1.398 919 N CA 0.444 53.229 53.050 -0.442 0.000 0.938 919 N CB -0.041 38.263 38.487 -0.306 0.000 1.605 919 N HN 0.303 nan 8.380 nan 0.000 0.597 920 G N 1.126 109.703 108.800 -0.371 0.000 2.384 920 G HA2 -0.109 3.861 3.960 0.017 0.000 0.204 920 G HA3 -0.109 3.861 3.960 0.017 0.000 0.204 920 G C -1.422 173.370 174.900 -0.180 0.000 1.237 920 G CA -0.902 44.048 45.100 -0.250 0.000 1.060 920 G HN 0.342 nan 8.290 nan 0.000 0.514 921 K N 0.168 120.511 120.400 -0.095 0.000 2.087 921 K HA 0.747 5.077 4.320 0.017 0.000 0.255 921 K C 0.392 176.989 176.600 -0.005 0.000 0.988 921 K CA 0.089 56.358 56.287 -0.029 0.000 0.915 921 K CB 1.786 34.292 32.500 0.010 0.000 1.043 921 K HN 1.089 nan 8.250 nan 0.000 0.457 922 A N 1.820 124.682 122.820 0.070 0.000 2.437 922 A HA 0.627 4.957 4.320 0.017 0.000 0.292 922 A C -0.707 177.001 177.584 0.206 0.000 1.173 922 A CA -0.922 51.206 52.037 0.153 0.000 0.785 922 A CB 0.623 19.785 19.000 0.271 0.000 1.351 922 A HN 0.663 nan 8.150 nan 0.000 0.431 923 I N 1.476 122.188 120.570 0.236 0.000 2.365 923 I HA 0.236 4.416 4.170 0.017 0.000 0.291 923 I C 0.101 176.380 176.117 0.271 0.000 1.004 923 I CA 0.010 61.435 61.300 0.207 0.000 1.311 923 I CB 0.765 38.856 38.000 0.152 0.000 1.401 923 I HN 0.665 nan 8.210 nan 0.000 0.491 924 H N 7.515 126.654 119.070 0.115 0.000 2.505 924 H HA 0.546 5.112 4.556 0.017 0.000 0.338 924 H C -1.546 173.825 175.328 0.070 0.000 1.057 924 H CA -0.777 55.330 56.048 0.098 0.000 1.202 924 H CB 1.476 31.279 29.762 0.069 0.000 1.466 924 H HN 0.467 nan 8.280 nan 0.000 0.499 925 L N 5.711 126.759 121.223 -0.292 0.000 2.341 925 L HA 0.449 4.799 4.340 0.017 0.000 0.278 925 L C -0.377 176.307 176.870 -0.311 0.000 1.005 925 L CA -0.933 53.777 54.840 -0.217 0.000 0.818 925 L CB 1.896 43.894 42.059 -0.102 0.000 1.259 925 L HN 0.310 nan 8.230 nan 0.000 0.418 926 V N 0.587 120.379 119.914 -0.203 0.000 3.166 926 V HA 0.339 4.469 4.120 0.017 0.000 0.317 926 V C 0.060 176.092 176.094 -0.104 0.000 1.136 926 V CA -0.910 61.308 62.300 -0.137 0.000 1.035 926 V CB 1.998 33.767 31.823 -0.089 0.000 1.110 926 V HN 0.662 nan 8.190 nan 0.000 0.450 927 N N 2.986 121.624 118.700 -0.103 0.000 3.243 927 N HA 0.115 4.865 4.740 0.017 0.000 0.310 927 N C -0.673 174.779 175.510 -0.097 0.000 1.313 927 N CA -0.077 52.897 53.050 -0.127 0.000 1.204 927 N CB -1.061 37.316 38.487 -0.183 0.000 1.483 927 N HN 0.903 nan 8.380 nan 0.000 0.553 928 N N -2.009 116.645 118.700 -0.077 0.000 2.235 928 N HA 0.175 4.925 4.740 0.017 0.000 0.293 928 N C -0.185 175.289 175.510 -0.061 0.000 1.083 928 N CA -0.698 52.316 53.050 -0.060 0.000 0.801 928 N CB 0.785 39.249 38.487 -0.039 0.000 1.559 928 N HN -0.069 nan 8.380 nan 0.000 0.472 929 E N -0.170 119.994 120.200 -0.060 0.000 2.499 929 E HA -0.100 4.260 4.350 0.017 0.000 0.207 929 E C -0.058 176.504 176.600 -0.065 0.000 1.175 929 E CA 0.664 57.021 56.400 -0.073 0.000 0.932 929 E CB -0.272 29.388 29.700 -0.065 0.000 0.906 929 E HN 0.704 nan 8.360 nan 0.000 0.556 930 S N -1.546 114.136 115.700 -0.030 0.000 2.730 930 S HA 0.127 4.607 4.470 0.017 0.000 0.244 930 S C 0.397 175.023 174.600 0.043 0.000 1.022 930 S CA -0.665 57.551 58.200 0.028 0.000 1.014 930 S CB 1.058 64.296 63.200 0.064 0.000 0.963 930 S HN -0.034 nan 8.310 nan 0.000 0.540 931 S N 2.435 118.126 115.700 -0.015 0.000 2.505 931 S HA 0.524 5.004 4.470 0.017 0.000 0.280 931 S C -0.733 173.840 174.600 -0.045 0.000 1.197 931 S CA -0.440 57.754 58.200 -0.010 0.000 1.138 931 S CB -0.076 63.103 63.200 -0.036 0.000 1.010 931 S HN 0.715 nan 8.310 nan 0.000 0.480 932 E N 1.331 121.518 120.200 -0.020 0.000 2.401 932 E HA 0.602 4.962 4.350 0.017 0.000 0.280 932 E C -1.693 174.916 176.600 0.015 0.000 1.039 932 E CA -1.172 55.184 56.400 -0.074 0.000 0.814 932 E CB 1.112 30.675 29.700 -0.229 0.000 1.275 932 E HN 0.194 nan 8.360 nan 0.000 0.448 933 V N 1.304 121.210 119.914 -0.014 0.000 2.604 933 V HA 0.566 4.696 4.120 0.017 0.000 0.305 933 V C -0.740 175.354 176.094 -0.001 0.000 1.043 933 V CA -0.778 61.546 62.300 0.040 0.000 0.888 933 V CB 1.460 33.293 31.823 0.018 0.000 0.995 933 V HN 0.669 nan 8.190 nan 0.000 0.429 934 I N 3.441 124.049 120.570 0.063 0.000 2.569 934 I HA 0.590 4.770 4.170 0.017 0.000 0.296 934 I C -0.477 175.682 176.117 0.070 0.000 1.028 934 I CA -0.325 60.998 61.300 0.039 0.000 1.082 934 I CB 2.282 40.325 38.000 0.072 0.000 1.264 934 I HN 0.437 nan 8.210 nan 0.000 0.429 935 V N 5.592 125.541 119.914 0.059 0.000 2.384 935 V HA 0.301 4.431 4.120 0.017 0.000 0.287 935 V C -0.554 175.615 176.094 0.125 0.000 1.020 935 V CA -0.784 61.576 62.300 0.100 0.000 0.850 935 V CB 0.980 32.869 31.823 0.109 0.000 0.987 935 V HN 0.574 nan 8.190 nan 0.000 0.436 936 H N 5.003 124.090 119.070 0.028 0.000 2.908 936 H HA 0.339 4.905 4.556 0.016 0.000 0.269 936 H C 0.369 175.703 175.328 0.010 0.000 1.303 936 H CA -0.457 55.597 56.048 0.009 0.000 1.341 936 H CB 0.215 29.983 29.762 0.010 0.000 1.519 936 H HN 0.591 nan 8.280 nan 0.000 0.505 937 K N 2.765 123.054 120.400 -0.184 0.000 2.550 937 K HA 0.148 4.478 4.320 0.017 0.000 0.280 937 K C 0.364 176.847 176.600 -0.195 0.000 0.987 937 K CA 0.344 56.545 56.287 -0.143 0.000 1.048 937 K CB 0.521 32.917 32.500 -0.174 0.000 0.879 937 K HN 0.575 nan 8.250 nan 0.000 0.491 938 A N 3.348 126.120 122.820 -0.080 0.000 2.346 938 A HA 0.056 4.386 4.320 0.017 0.000 0.252 938 A C 1.475 178.979 177.584 -0.133 0.000 1.089 938 A CA -0.384 51.616 52.037 -0.062 0.000 0.797 938 A CB 0.392 19.411 19.000 0.031 0.000 1.047 938 A HN 1.045 nan 8.150 nan 0.000 0.494 939 M N 0.164 119.706 119.600 -0.096 0.000 2.706 939 M HA -0.234 4.256 4.480 0.017 0.000 0.266 939 M C 0.360 176.578 176.300 -0.136 0.000 1.060 939 M CA 2.549 57.786 55.300 -0.106 0.000 1.070 939 M CB -0.439 32.138 32.600 -0.039 0.000 1.241 939 M HN 0.723 nan 8.290 nan 0.000 0.488 940 D N 0.259 120.585 120.400 -0.123 0.000 2.395 940 D HA 0.120 4.770 4.640 0.017 0.000 0.250 940 D C 0.990 177.140 176.300 -0.249 0.000 1.203 940 D CA 0.669 54.575 54.000 -0.157 0.000 0.872 940 D CB -0.388 40.324 40.800 -0.147 0.000 0.941 940 D HN 0.717 nan 8.370 nan 0.000 0.504 941 I N -4.179 116.256 120.570 -0.224 0.000 4.983 941 I HA 0.185 4.365 4.170 0.017 0.000 0.346 941 I C 1.730 177.750 176.117 -0.160 0.000 1.261 941 I CA -0.323 60.868 61.300 -0.182 0.000 1.406 941 I CB 0.342 38.235 38.000 -0.178 0.000 1.529 941 I HN -0.303 nan 8.210 nan 0.000 0.524 942 E N 2.358 122.398 120.200 -0.266 0.000 2.181 942 E HA -0.315 4.045 4.350 0.017 0.000 0.225 942 E C 1.446 177.794 176.600 -0.420 0.000 1.073 942 E CA 2.988 59.116 56.400 -0.453 0.000 0.916 942 E CB -0.486 28.755 29.700 -0.767 0.000 0.793 942 E HN 0.709 nan 8.360 nan 0.000 0.472 943 Y N -0.537 119.718 120.300 -0.075 0.000 2.478 943 Y HA 0.246 4.806 4.550 0.017 0.000 0.261 943 Y C 1.835 177.686 175.900 -0.082 0.000 1.127 943 Y CA 0.418 58.466 58.100 -0.087 0.000 1.288 943 Y CB -0.771 37.645 38.460 -0.074 0.000 1.084 943 Y HN 0.168 nan 8.280 nan 0.000 0.530 944 N N 1.416 120.157 118.700 0.068 0.000 2.225 944 N HA -0.286 4.464 4.740 0.017 0.000 0.198 944 N C 1.152 176.689 175.510 0.046 0.000 0.959 944 N CA 2.269 55.361 53.050 0.071 0.000 0.915 944 N CB -0.305 38.227 38.487 0.074 0.000 1.072 944 N HN 0.479 nan 8.380 nan 0.000 0.620 945 D N -0.628 119.739 120.400 -0.055 0.000 2.323 945 D HA -0.110 4.540 4.640 0.017 0.000 0.239 945 D C 1.640 177.845 176.300 -0.158 0.000 1.129 945 D CA 0.043 53.934 54.000 -0.182 0.000 0.865 945 D CB -0.260 40.198 40.800 -0.570 0.000 0.913 945 D HN 0.553 nan 8.370 nan 0.000 0.517 946 M N -0.624 118.866 119.600 -0.183 0.000 2.132 946 M HA -0.043 4.447 4.480 0.017 0.000 0.263 946 M C 0.622 176.569 176.300 -0.589 0.000 1.065 946 M CA 1.746 56.771 55.300 -0.457 0.000 1.122 946 M CB 0.093 32.286 32.600 -0.679 0.000 1.365 946 M HN 0.028 nan 8.290 nan 0.000 0.411 947 F N -1.999 117.993 119.950 0.069 0.000 2.754 947 F HA 0.277 4.814 4.527 0.016 0.000 0.316 947 F C 0.572 176.441 175.800 0.116 0.000 0.959 947 F CA -0.989 57.059 58.000 0.081 0.000 1.148 947 F CB -0.040 38.992 39.000 0.053 0.000 0.951 947 F HN 0.011 nan 8.300 nan 0.000 0.625 948 N N 0.801 119.676 118.700 0.293 0.000 2.327 948 N HA 0.103 4.853 4.740 0.017 0.000 0.257 948 N C -0.697 175.004 175.510 0.318 0.000 1.281 948 N CA -0.517 52.690 53.050 0.261 0.000 0.942 948 N CB 0.159 38.781 38.487 0.224 0.000 1.199 948 N HN -0.076 nan 8.380 nan 0.000 0.532 949 N N 0.038 118.909 118.700 0.286 0.000 2.499 949 N HA 0.330 5.080 4.740 0.017 0.000 0.281 949 N C -1.214 174.531 175.510 0.391 0.000 1.098 949 N CA -0.161 53.062 53.050 0.288 0.000 0.979 949 N CB 0.273 38.853 38.487 0.156 0.000 1.121 949 N HN 0.417 nan 8.380 nan 0.000 0.466 950 F N -1.804 118.201 119.950 0.093 0.000 2.613 950 F HA 0.679 5.216 4.527 0.017 0.000 0.314 950 F C -0.488 175.321 175.800 0.016 0.000 1.075 950 F CA -0.992 57.059 58.000 0.086 0.000 0.945 950 F CB 1.096 40.158 39.000 0.104 0.000 1.310 950 F HN 0.055 nan 8.300 nan 0.000 0.467 951 T N 2.183 116.744 114.554 0.012 0.000 2.848 951 T HA 0.630 4.990 4.350 0.017 0.000 0.285 951 T C -1.322 173.367 174.700 -0.019 0.000 0.995 951 T CA -0.561 61.464 62.100 -0.126 0.000 0.970 951 T CB 1.744 70.588 68.868 -0.040 0.000 0.976 951 T HN 0.606 nan 8.240 nan 0.000 0.441 952 V N 3.844 123.594 119.914 -0.272 0.000 2.417 952 V HA 0.733 4.863 4.120 0.017 0.000 0.291 952 V C -0.081 175.849 176.094 -0.273 0.000 1.024 952 V CA -0.663 61.474 62.300 -0.272 0.000 0.861 952 V CB 1.672 33.248 31.823 -0.413 0.000 0.985 952 V HN 1.003 nan 8.190 nan 0.000 0.436 953 S N 5.739 121.325 115.700 -0.189 0.000 2.538 953 S HA 0.940 5.420 4.470 0.017 0.000 0.288 953 S C -1.012 173.494 174.600 -0.156 0.000 1.108 953 S CA -0.599 57.414 58.200 -0.312 0.000 0.971 953 S CB 1.824 65.015 63.200 -0.016 0.000 1.041 953 S HN 0.937 nan 8.310 nan 0.000 0.483 954 F N -1.271 118.405 119.950 -0.457 0.000 2.693 954 F HA 0.782 5.319 4.527 0.017 0.000 0.309 954 F C -1.918 173.788 175.800 -0.156 0.000 1.129 954 F CA -1.813 56.124 58.000 -0.106 0.000 0.948 954 F CB 0.317 39.458 39.000 0.235 0.000 1.315 954 F HN 0.600 nan 8.300 nan 0.000 0.447 955 W N 3.188 124.722 121.300 0.389 0.000 2.315 955 W HA 0.656 5.325 4.660 0.016 0.000 0.316 955 W C -0.760 176.146 176.519 0.645 0.000 1.211 955 W CA -0.426 57.184 57.345 0.441 0.000 1.201 955 W CB 1.577 31.240 29.460 0.339 0.000 1.184 955 W HN 0.583 nan 8.180 nan 0.000 0.544 956 L N 3.398 125.072 121.223 0.752 0.000 2.333 956 L HA 0.689 5.039 4.340 0.017 0.000 0.263 956 L C -0.949 176.132 176.870 0.351 0.000 1.014 956 L CA -1.597 53.587 54.840 0.575 0.000 0.820 956 L CB 2.016 44.345 42.059 0.450 0.000 1.352 956 L HN 0.496 nan 8.230 nan 0.000 0.421 957 R N 2.716 123.235 120.500 0.030 0.000 2.772 957 R HA 0.627 4.977 4.340 0.017 0.000 0.288 957 R C -2.275 173.947 176.300 -0.130 0.000 1.365 957 R CA -0.377 55.569 56.100 -0.255 0.000 1.023 957 R CB 1.227 30.904 30.300 -1.039 0.000 1.261 957 R HN 0.501 nan 8.270 nan 0.000 0.422 958 V N 5.276 125.162 119.914 -0.047 0.000 2.513 958 V HA 0.565 4.695 4.120 0.017 0.000 0.299 958 V C -2.117 173.917 176.094 -0.100 0.000 1.035 958 V CA -2.211 60.054 62.300 -0.057 0.000 0.889 958 V CB 1.833 33.661 31.823 0.009 0.000 0.988 958 V HN 0.676 nan 8.190 nan 0.000 0.440 959 P HA 0.163 nan 4.420 nan 0.000 0.275 959 P C -0.587 176.626 177.300 -0.144 0.000 1.228 959 P CA -0.647 62.333 63.100 -0.200 0.000 0.786 959 P CB 0.545 32.025 31.700 -0.367 0.000 0.927 960 K N 2.361 122.673 120.400 -0.147 0.000 2.437 960 K HA 0.068 4.398 4.320 0.017 0.000 0.277 960 K C -0.498 175.988 176.600 -0.190 0.000 1.073 960 K CA -0.137 56.008 56.287 -0.237 0.000 1.105 960 K CB -0.179 31.947 32.500 -0.622 0.000 0.881 960 K HN 0.189 nan 8.250 nan 0.000 0.475 961 V N 4.878 124.733 119.914 -0.100 0.000 2.540 961 V HA -0.068 4.062 4.120 0.017 0.000 0.297 961 V C 0.696 176.779 176.094 -0.017 0.000 1.024 961 V CA -0.120 62.175 62.300 -0.009 0.000 1.105 961 V CB 0.651 32.504 31.823 0.049 0.000 0.938 961 V HN 0.935 nan 8.190 nan 0.000 0.482 962 S N 4.470 120.186 115.700 0.027 0.000 2.579 962 S HA 0.350 4.830 4.470 0.017 0.000 0.275 962 S C 1.348 175.960 174.600 0.019 0.000 1.345 962 S CA -0.060 58.117 58.200 -0.038 0.000 1.031 962 S CB 1.375 64.486 63.200 -0.148 0.000 0.892 962 S HN 1.112 nan 8.310 nan 0.000 0.529 963 A N 2.445 125.293 122.820 0.048 0.000 2.070 963 A HA -0.003 4.327 4.320 0.017 0.000 0.220 963 A C 2.387 179.993 177.584 0.037 0.000 1.159 963 A CA 1.675 53.766 52.037 0.089 0.000 0.656 963 A CB -1.236 17.870 19.000 0.177 0.000 0.800 963 A HN 0.832 nan 8.150 nan 0.000 0.453 964 S N -1.391 114.286 115.700 -0.038 0.000 2.357 964 S HA -0.110 4.370 4.470 0.017 0.000 0.221 964 S C 1.992 176.588 174.600 -0.008 0.000 1.031 964 S CA 1.033 59.188 58.200 -0.075 0.000 0.982 964 S CB -0.455 62.632 63.200 -0.188 0.000 0.853 964 S HN 0.739 nan 8.310 nan 0.000 0.458 965 H N 1.289 120.392 119.070 0.056 0.000 2.421 965 H HA 0.063 4.629 4.556 0.016 0.000 0.298 965 H C 1.967 177.357 175.328 0.104 0.000 1.087 965 H CA 0.844 56.972 56.048 0.134 0.000 1.330 965 H CB -0.586 29.286 29.762 0.184 0.000 1.388 965 H HN 0.322 nan 8.280 nan 0.000 0.526 966 L N 0.144 121.473 121.223 0.176 0.000 2.265 966 L HA -0.148 4.202 4.340 0.017 0.000 0.215 966 L C 2.285 179.195 176.870 0.067 0.000 1.117 966 L CA 1.054 55.961 54.840 0.112 0.000 0.782 966 L CB -0.118 41.988 42.059 0.079 0.000 0.914 966 L HN 0.248 nan 8.230 nan 0.000 0.441 967 E N -0.132 120.091 120.200 0.038 0.000 2.140 967 E HA -0.171 4.189 4.350 0.017 0.000 0.191 967 E C 1.944 178.514 176.600 -0.051 0.000 0.973 967 E CA 0.561 56.958 56.400 -0.005 0.000 0.829 967 E CB 0.322 30.012 29.700 -0.016 0.000 0.781 967 E HN 0.513 nan 8.360 nan 0.000 0.466 968 Q N -1.477 118.252 119.800 -0.119 0.000 2.247 968 Q HA 0.022 4.372 4.340 0.017 0.000 0.211 968 Q C -0.142 175.587 176.000 -0.452 0.000 0.861 968 Q CA 0.147 55.759 55.803 -0.318 0.000 0.949 968 Q CB 0.571 29.029 28.738 -0.466 0.000 1.115 968 Q HN 0.255 nan 8.270 nan 0.000 0.507 969 Y N -0.733 119.596 120.300 0.047 0.000 2.830 969 Y HA 0.408 4.968 4.550 0.016 0.000 0.255 969 Y C 1.524 177.450 175.900 0.042 0.000 1.130 969 Y CA -0.322 57.793 58.100 0.024 0.000 1.217 969 Y CB 0.973 39.423 38.460 -0.017 0.000 1.296 969 Y HN 0.202 nan 8.280 nan 0.000 0.571 970 G N -0.262 108.625 108.800 0.144 0.000 2.813 970 G HA2 -0.078 3.892 3.960 0.017 0.000 0.209 970 G HA3 -0.078 3.892 3.960 0.017 0.000 0.209 970 G C 1.300 176.250 174.900 0.082 0.000 1.150 970 G CA 1.349 46.513 45.100 0.107 0.000 0.785 970 G HN 0.374 nan 8.290 nan 0.000 0.535 971 T N -2.799 111.805 114.554 0.084 0.000 3.084 971 T HA 0.191 4.551 4.350 0.017 0.000 0.270 971 T C 0.359 175.106 174.700 0.078 0.000 1.008 971 T CA -0.535 61.602 62.100 0.061 0.000 0.900 971 T CB 0.126 69.018 68.868 0.040 0.000 1.084 971 T HN 0.079 nan 8.240 nan 0.000 0.538 972 N N 2.494 121.267 118.700 0.122 0.000 2.439 972 N HA 0.205 4.955 4.740 0.017 0.000 0.249 972 N C -0.793 174.822 175.510 0.175 0.000 1.003 972 N CA -0.405 52.729 53.050 0.140 0.000 0.942 972 N CB 1.073 39.663 38.487 0.171 0.000 1.115 972 N HN 0.507 nan 8.380 nan 0.000 0.505 973 E N 3.632 123.906 120.200 0.123 0.000 2.175 973 E HA 0.249 4.609 4.350 0.017 0.000 0.278 973 E C -1.270 175.412 176.600 0.136 0.000 0.969 973 E CA -0.646 55.802 56.400 0.080 0.000 0.796 973 E CB 0.580 30.290 29.700 0.017 0.000 1.104 973 E HN 0.640 nan 8.360 nan 0.000 0.395 974 Y N 0.351 120.638 120.300 -0.020 0.000 2.581 974 Y HA 0.591 5.151 4.550 0.016 0.000 0.345 974 Y C -0.730 175.157 175.900 -0.022 0.000 1.036 974 Y CA -1.301 56.778 58.100 -0.035 0.000 1.042 974 Y CB 0.984 39.407 38.460 -0.061 0.000 1.289 974 Y HN 0.190 nan 8.280 nan 0.000 0.471 975 S N 1.401 117.144 115.700 0.071 0.000 2.646 975 S HA 0.501 4.981 4.470 0.017 0.000 0.276 975 S C 0.791 175.422 174.600 0.051 0.000 1.222 975 S CA -0.328 57.874 58.200 0.003 0.000 1.014 975 S CB 0.801 63.997 63.200 -0.006 0.000 0.991 975 S HN 0.816 nan 8.310 nan 0.000 0.533 976 I N -1.573 119.000 120.570 0.005 0.000 4.338 976 I HA 0.486 4.666 4.170 0.017 0.000 0.315 976 I C -0.454 175.621 176.117 -0.070 0.000 1.262 976 I CA 0.031 61.329 61.300 -0.002 0.000 1.298 976 I CB 0.292 38.297 38.000 0.009 0.000 1.257 976 I HN 0.328 nan 8.210 nan 0.000 0.444 977 I N 1.118 121.663 120.570 -0.042 0.000 2.533 977 I HA 0.576 4.756 4.170 0.017 0.000 0.290 977 I C -0.787 175.318 176.117 -0.020 0.000 1.056 977 I CA -0.681 60.582 61.300 -0.061 0.000 1.057 977 I CB 1.989 39.947 38.000 -0.070 0.000 1.240 977 I HN 0.023 nan 8.210 nan 0.000 0.423 978 S N 1.983 117.530 115.700 -0.254 0.000 2.535 978 S HA 0.327 4.806 4.470 0.017 0.000 0.272 978 S C 0.094 174.280 174.600 -0.689 0.000 1.149 978 S CA -0.354 57.562 58.200 -0.474 0.000 0.888 978 S CB 1.842 64.887 63.200 -0.259 0.000 1.110 978 S HN 0.783 nan 8.310 nan 0.000 0.463 979 S N 3.254 118.322 115.700 -1.054 0.000 2.568 979 S HA 0.301 4.781 4.470 0.017 0.000 0.232 979 S C 0.363 174.672 174.600 -0.485 0.000 0.975 979 S CA -0.401 57.310 58.200 -0.816 0.000 0.949 979 S CB -0.291 62.214 63.200 -1.158 0.000 0.829 979 S HN 0.730 nan 8.310 nan 0.000 0.479 980 M N 1.936 121.295 119.600 -0.401 0.000 2.018 980 M HA 0.486 4.976 4.480 0.017 0.000 0.311 980 M C -0.653 175.547 176.300 -0.166 0.000 0.928 980 M CA -0.466 54.681 55.300 -0.254 0.000 0.911 980 M CB 0.990 33.445 32.600 -0.242 0.000 1.447 980 M HN -0.032 nan 8.290 nan 0.000 0.407 981 K N 4.053 124.376 120.400 -0.128 0.000 2.539 981 K HA -0.097 4.233 4.320 0.017 0.000 0.271 981 K C -0.725 175.842 176.600 -0.054 0.000 1.004 981 K CA 1.260 57.499 56.287 -0.081 0.000 1.117 981 K CB 0.511 32.975 32.500 -0.059 0.000 0.815 981 K HN 0.625 nan 8.250 nan 0.000 0.481 982 K N 2.683 123.065 120.400 -0.031 0.000 2.340 982 K HA 0.348 4.678 4.320 0.017 0.000 0.244 982 K C -0.994 175.660 176.600 0.089 0.000 0.973 982 K CA -0.925 55.360 56.287 -0.002 0.000 0.828 982 K CB 1.901 34.383 32.500 -0.031 0.000 1.226 982 K HN 0.724 nan 8.250 nan 0.000 0.437 983 H N -1.127 117.917 119.070 -0.044 0.000 3.267 983 H HA 0.111 4.677 4.556 0.017 0.000 0.319 983 H C -1.330 173.981 175.328 -0.028 0.000 1.191 983 H CA -0.379 55.648 56.048 -0.036 0.000 1.562 983 H CB 0.110 29.852 29.762 -0.033 0.000 2.076 983 H HN 0.637 nan 8.280 nan 0.000 0.429 984 S N 6.097 121.607 115.700 -0.317 0.000 3.405 984 S HA -0.216 4.263 4.470 0.017 0.000 0.373 984 S C 0.883 175.300 174.600 -0.305 0.000 0.939 984 S CA 0.691 58.682 58.200 -0.348 0.000 1.295 984 S CB -1.101 61.809 63.200 -0.484 0.000 0.919 984 S HN 1.360 nan 8.310 nan 0.000 0.535 985 L N -1.057 120.061 121.223 -0.174 0.000 3.742 985 L HA -0.255 4.095 4.340 0.017 0.000 0.431 985 L C -0.542 176.245 176.870 -0.139 0.000 1.220 985 L CA 1.183 55.950 54.840 -0.121 0.000 0.863 985 L CB -1.743 40.264 42.059 -0.085 0.000 1.751 985 L HN 0.663 nan 8.230 nan 0.000 0.922 986 S N 0.909 116.506 115.700 -0.172 0.000 2.536 986 S HA 0.855 5.335 4.470 0.017 0.000 0.287 986 S C -0.123 174.452 174.600 -0.042 0.000 1.101 986 S CA -0.622 57.520 58.200 -0.097 0.000 0.950 986 S CB 2.665 65.815 63.200 -0.083 0.000 1.056 986 S HN 0.395 nan 8.310 nan 0.000 0.481 987 I N 0.200 120.757 120.570 -0.021 0.000 2.892 987 I HA 0.703 4.883 4.170 0.017 0.000 0.306 987 I C 0.973 177.079 176.117 -0.018 0.000 1.078 987 I CA -1.277 60.008 61.300 -0.024 0.000 1.032 987 I CB 1.437 39.410 38.000 -0.044 0.000 1.229 987 I HN 0.721 nan 8.210 nan 0.000 0.435 988 G N 1.589 110.370 108.800 -0.033 0.000 2.913 988 G HA2 0.316 4.286 3.960 0.017 0.000 0.145 988 G HA3 0.316 4.286 3.960 0.017 0.000 0.145 988 G C -0.123 174.749 174.900 -0.047 0.000 1.801 988 G CA 0.127 45.204 45.100 -0.038 0.000 1.033 988 G HN 0.666 nan 8.290 nan 0.000 0.495 989 S N -2.781 112.882 115.700 -0.062 0.000 2.627 989 S HA 0.701 5.181 4.470 0.017 0.000 0.283 989 S C 0.030 174.575 174.600 -0.091 0.000 1.127 989 S CA 0.835 59.000 58.200 -0.058 0.000 0.863 989 S CB 1.290 64.463 63.200 -0.045 0.000 1.121 989 S HN 2.268 nan 8.310 nan 0.000 0.479 990 G N 1.799 110.557 108.800 -0.070 0.000 2.301 990 G HA2 0.075 4.045 3.960 0.017 0.000 0.194 990 G HA3 0.075 4.045 3.960 0.017 0.000 0.194 990 G C -1.183 173.711 174.900 -0.011 0.000 1.266 990 G CA -0.094 44.948 45.100 -0.096 0.000 1.210 990 G HN 1.516 nan 8.290 nan 0.000 0.524 991 W N 0.018 121.238 121.300 -0.133 0.000 3.075 991 W HA 0.788 5.458 4.660 0.017 0.000 0.334 991 W C -0.291 176.084 176.519 -0.240 0.000 1.243 991 W CA -0.414 56.754 57.345 -0.295 0.000 1.170 991 W CB 1.050 30.281 29.460 -0.381 0.000 1.452 991 W HN 1.525 nan 8.180 nan 0.000 0.572 992 S N 0.063 115.804 115.700 0.067 0.000 2.607 992 S HA 0.720 5.200 4.470 0.017 0.000 0.273 992 S C -1.587 173.199 174.600 0.310 0.000 1.148 992 S CA -0.866 57.438 58.200 0.173 0.000 0.833 992 S CB 2.126 65.317 63.200 -0.015 0.000 1.130 992 S HN 0.457 nan 8.310 nan 0.000 0.470 993 V N 2.247 122.390 119.914 0.380 0.000 2.384 993 V HA 0.810 4.940 4.120 0.017 0.000 0.287 993 V C -0.007 176.175 176.094 0.147 0.000 1.020 993 V CA -0.178 62.346 62.300 0.374 0.000 0.850 993 V CB 1.033 33.109 31.823 0.421 0.000 0.987 993 V HN 1.118 nan 8.190 nan 0.000 0.436 994 S N 6.285 122.036 115.700 0.084 0.000 2.599 994 S HA 0.865 5.345 4.470 0.017 0.000 0.287 994 S C -1.266 173.243 174.600 -0.153 0.000 1.105 994 S CA -0.746 57.407 58.200 -0.079 0.000 0.899 994 S CB 1.938 65.094 63.200 -0.074 0.000 1.100 994 S HN 0.463 nan 8.310 nan 0.000 0.482 995 L N 1.513 122.472 121.223 -0.439 0.000 2.354 995 L HA 0.710 5.060 4.340 0.017 0.000 0.269 995 L C -0.563 176.067 176.870 -0.400 0.000 1.005 995 L CA -0.658 53.920 54.840 -0.436 0.000 0.819 995 L CB 2.204 43.897 42.059 -0.611 0.000 1.311 995 L HN 0.894 nan 8.230 nan 0.000 0.423 996 K N 2.117 122.431 120.400 -0.143 0.000 2.729 996 K HA 0.515 4.845 4.320 0.017 0.000 0.269 996 K C 0.085 176.693 176.600 0.014 0.000 1.065 996 K CA 0.268 56.542 56.287 -0.021 0.000 1.000 996 K CB 1.235 33.729 32.500 -0.011 0.000 1.283 996 K HN 0.766 nan 8.250 nan 0.000 0.491 997 G N 3.953 112.791 108.800 0.064 0.000 2.565 997 G HA2 -0.369 3.601 3.960 0.017 0.000 0.295 997 G HA3 -0.369 3.601 3.960 0.017 0.000 0.295 997 G C -0.005 174.914 174.900 0.031 0.000 1.165 997 G CA 0.407 45.542 45.100 0.058 0.000 0.977 997 G HN 0.707 nan 8.290 nan 0.000 0.546 998 N N 1.960 120.662 118.700 0.003 0.000 2.458 998 N HA 0.288 5.038 4.740 0.017 0.000 0.274 998 N C -0.693 174.785 175.510 -0.054 0.000 1.242 998 N CA -0.322 52.721 53.050 -0.011 0.000 0.904 998 N CB 0.199 38.676 38.487 -0.018 0.000 1.206 998 N HN 0.363 nan 8.380 nan 0.000 0.510 999 N N 1.047 119.721 118.700 -0.043 0.000 2.314 999 N HA 0.341 5.091 4.740 0.017 0.000 0.304 999 N C -1.413 174.107 175.510 0.016 0.000 1.073 999 N CA -0.524 52.489 53.050 -0.062 0.000 0.822 999 N CB 2.511 40.966 38.487 -0.055 0.000 1.280 999 N HN 0.037 nan 8.380 nan 0.000 0.489 1000 L N 2.265 123.552 121.223 0.107 0.000 2.333 1000 L HA 0.624 4.974 4.340 0.017 0.000 0.280 1000 L C -1.230 175.744 176.870 0.174 0.000 1.004 1000 L CA -0.425 54.521 54.840 0.175 0.000 0.820 1000 L CB 0.857 43.098 42.059 0.305 0.000 1.247 1000 L HN 0.460 nan 8.230 nan 0.000 0.416 1001 I N 5.156 125.813 120.570 0.145 0.000 2.465 1001 I HA 0.352 4.532 4.170 0.017 0.000 0.291 1001 I C -1.060 175.215 176.117 0.262 0.000 1.014 1001 I CA -0.287 61.108 61.300 0.159 0.000 1.093 1001 I CB 1.627 39.672 38.000 0.075 0.000 1.267 1001 I HN 0.652 nan 8.210 nan 0.000 0.431 1002 W N 6.130 127.467 121.300 0.062 0.000 2.570 1002 W HA 0.649 5.319 4.660 0.017 0.000 0.337 1002 W C -1.046 175.525 176.519 0.086 0.000 1.067 1002 W CA -0.639 56.751 57.345 0.075 0.000 1.229 1002 W CB 1.976 31.447 29.460 0.018 0.000 1.355 1002 W HN 0.447 nan 8.180 nan 0.000 0.555 1003 T N 6.217 120.335 114.554 -0.726 0.000 3.483 1003 T HA 0.396 4.756 4.350 0.017 0.000 0.329 1003 T C -1.679 172.645 174.700 -0.628 0.000 1.014 1003 T CA -0.537 61.283 62.100 -0.467 0.000 1.056 1003 T CB 0.183 68.945 68.868 -0.176 0.000 1.090 1003 T HN 0.393 nan 8.240 nan 0.000 0.460 1004 L N 4.164 125.168 121.223 -0.366 0.000 2.307 1004 L HA 0.742 5.092 4.340 0.017 0.000 0.284 1004 L C -0.343 176.506 176.870 -0.035 0.000 1.023 1004 L CA -0.936 53.829 54.840 -0.124 0.000 0.810 1004 L CB 1.844 43.936 42.059 0.056 0.000 1.231 1004 L HN 0.619 nan 8.230 nan 0.000 0.423 1005 K N 2.478 122.873 120.400 -0.009 0.000 2.443 1005 K HA 0.423 4.753 4.320 0.017 0.000 0.252 1005 K C -1.425 175.179 176.600 0.006 0.000 0.933 1005 K CA -0.633 55.649 56.287 -0.008 0.000 0.792 1005 K CB 1.704 34.183 32.500 -0.034 0.000 1.185 1005 K HN 0.495 nan 8.250 nan 0.000 0.425 1006 D N 2.098 122.506 120.400 0.013 0.000 2.252 1006 D HA 0.256 4.906 4.640 0.017 0.000 0.245 1006 D C 0.116 176.418 176.300 0.003 0.000 1.009 1006 D CA -0.613 53.395 54.000 0.013 0.000 0.870 1006 D CB 1.722 42.544 40.800 0.037 0.000 1.251 1006 D HN 0.451 nan 8.370 nan 0.000 0.460 1007 S N 1.302 116.999 115.700 -0.006 0.000 2.441 1007 S HA -0.306 4.174 4.470 0.017 0.000 0.249 1007 S C 1.840 176.443 174.600 0.003 0.000 1.097 1007 S CA 1.990 60.186 58.200 -0.007 0.000 1.080 1007 S CB -0.603 62.592 63.200 -0.008 0.000 0.914 1007 S HN 0.761 nan 8.310 nan 0.000 0.464 1008 A N 0.104 122.932 122.820 0.013 0.000 2.119 1008 A HA 0.402 4.731 4.320 0.017 0.000 0.217 1008 A C 1.829 179.419 177.584 0.010 0.000 1.153 1008 A CA 1.288 53.334 52.037 0.015 0.000 0.692 1008 A CB -0.767 18.247 19.000 0.023 0.000 0.799 1008 A HN 1.270 nan 8.150 nan 0.000 0.458 1009 G N -1.280 107.525 108.800 0.007 0.000 2.144 1009 G HA2 -0.144 3.826 3.960 0.017 0.000 0.218 1009 G HA3 -0.144 3.826 3.960 0.017 0.000 0.218 1009 G C -0.298 174.605 174.900 0.005 0.000 0.988 1009 G CA 0.113 45.214 45.100 0.003 0.000 0.659 1009 G HN 0.413 nan 8.290 nan 0.000 0.522 1010 E N 0.092 120.299 120.200 0.012 0.000 2.266 1010 E HA 0.588 4.948 4.350 0.017 0.000 0.277 1010 E C 0.163 176.772 176.600 0.014 0.000 1.018 1010 E CA -0.383 56.027 56.400 0.016 0.000 0.840 1010 E CB 2.245 31.961 29.700 0.025 0.000 1.082 1010 E HN 0.216 nan 8.360 nan 0.000 0.395 1011 V N 3.454 123.375 119.914 0.011 0.000 2.715 1011 V HA 0.488 4.618 4.120 0.017 0.000 0.310 1011 V C 0.127 176.230 176.094 0.015 0.000 1.054 1011 V CA -0.923 61.379 62.300 0.004 0.000 0.928 1011 V CB 2.006 33.825 31.823 -0.008 0.000 1.007 1011 V HN 0.433 nan 8.190 nan 0.000 0.437 1012 R N 2.512 123.021 120.500 0.015 0.000 2.670 1012 R HA 0.682 5.031 4.340 0.017 0.000 0.289 1012 R C -1.029 175.281 176.300 0.017 0.000 0.965 1012 R CA -0.616 55.504 56.100 0.034 0.000 0.899 1012 R CB 2.167 32.508 30.300 0.069 0.000 1.173 1012 R HN 0.796 nan 8.270 nan 0.000 0.456 1013 Q N 1.857 121.683 119.800 0.043 0.000 2.340 1013 Q HA 0.545 4.895 4.340 0.017 0.000 0.276 1013 Q C -1.007 175.050 176.000 0.095 0.000 1.048 1013 Q CA -0.694 55.140 55.803 0.052 0.000 0.832 1013 Q CB 2.998 31.751 28.738 0.024 0.000 1.373 1013 Q HN 0.491 nan 8.270 nan 0.000 0.409 1014 I N 1.191 121.849 120.570 0.148 0.000 2.509 1014 I HA 0.435 4.615 4.170 0.017 0.000 0.293 1014 I C -0.692 175.503 176.117 0.130 0.000 1.020 1014 I CA -0.493 60.888 61.300 0.135 0.000 1.088 1014 I CB 2.380 40.473 38.000 0.156 0.000 1.267 1014 I HN 0.441 nan 8.210 nan 0.000 0.430 1015 T N 5.761 120.374 114.554 0.097 0.000 2.864 1015 T HA 0.335 4.695 4.350 0.017 0.000 0.299 1015 T C -0.764 173.998 174.700 0.103 0.000 1.011 1015 T CA -0.335 61.816 62.100 0.086 0.000 0.975 1015 T CB 0.653 69.543 68.868 0.036 0.000 0.962 1015 T HN 0.287 nan 8.240 nan 0.000 0.448 1016 F N 5.219 125.174 119.950 0.008 0.000 2.361 1016 F HA 0.546 5.082 4.527 0.016 0.000 0.364 1016 F C 0.061 175.872 175.800 0.018 0.000 1.120 1016 F CA -1.341 56.658 58.000 -0.002 0.000 1.102 1016 F CB 0.591 39.573 39.000 -0.029 0.000 1.183 1016 F HN 0.229 nan 8.300 nan 0.000 0.476 1017 R N 4.090 124.054 120.500 -0.895 0.000 2.347 1017 R HA 0.144 4.494 4.340 0.017 0.000 0.304 1017 R C -0.462 175.049 176.300 -1.315 0.000 1.072 1017 R CA -0.472 55.133 56.100 -0.824 0.000 0.980 1017 R CB 0.042 30.115 30.300 -0.378 0.000 0.986 1017 R HN 0.628 nan 8.270 nan 0.000 0.448 1018 D N 2.190 122.135 120.400 -0.759 0.000 2.345 1018 D HA 0.126 4.776 4.640 0.017 0.000 0.247 1018 D C 0.216 176.455 176.300 -0.102 0.000 1.108 1018 D CA -0.457 53.376 54.000 -0.278 0.000 0.894 1018 D CB 0.849 41.668 40.800 0.032 0.000 1.203 1018 D HN 0.225 nan 8.370 nan 0.000 0.430 1019 L N 4.521 125.779 121.223 0.058 0.000 2.492 1019 L HA 0.110 4.460 4.340 0.017 0.000 0.280 1019 L C -0.944 175.896 176.870 -0.050 0.000 1.240 1019 L CA -0.836 54.014 54.840 0.017 0.000 0.831 1019 L CB 0.021 42.108 42.059 0.047 0.000 1.100 1019 L HN 0.440 nan 8.230 nan 0.000 0.505 1020 P HA -0.066 nan 4.420 nan 0.000 0.236 1020 P C -0.137 176.912 177.300 -0.419 0.000 1.177 1020 P CA 0.520 63.530 63.100 -0.151 0.000 0.773 1020 P CB 0.171 31.840 31.700 -0.050 0.000 0.878 1021 D N 0.937 121.025 120.400 -0.519 0.000 2.380 1021 D HA 0.062 4.712 4.640 0.017 0.000 0.230 1021 D C 1.022 177.284 176.300 -0.064 0.000 1.154 1021 D CA -0.268 53.382 54.000 -0.583 0.000 0.859 1021 D CB 0.839 41.383 40.800 -0.427 0.000 1.045 1021 D HN -0.265 nan 8.370 nan 0.000 0.495 1022 K N 3.201 123.677 120.400 0.127 0.000 2.365 1022 K HA -0.076 4.254 4.320 0.017 0.000 0.199 1022 K C 1.513 178.382 176.600 0.448 0.000 1.045 1022 K CA 0.155 56.575 56.287 0.222 0.000 0.962 1022 K CB -0.284 32.242 32.500 0.043 0.000 0.759 1022 K HN 0.456 nan 8.250 nan 0.000 0.469 1023 F N 2.293 122.450 119.950 0.345 0.000 2.216 1023 F HA -0.158 4.379 4.527 0.017 0.000 0.300 1023 F C 1.452 177.343 175.800 0.153 0.000 1.085 1023 F CA 1.297 59.454 58.000 0.263 0.000 1.326 1023 F CB 0.188 39.299 39.000 0.184 0.000 1.027 1023 F HN 0.061 nan 8.300 nan 0.000 0.497 1024 N N 0.237 119.047 118.700 0.183 0.000 2.482 1024 N HA 0.189 4.939 4.740 0.017 0.000 0.179 1024 N C 0.609 175.993 175.510 -0.210 0.000 1.039 1024 N CA 0.774 53.824 53.050 -0.001 0.000 0.884 1024 N CB -0.713 37.813 38.487 0.065 0.000 1.113 1024 N HN 0.141 nan 8.380 nan 0.000 0.440 1025 A N 0.558 123.294 122.820 -0.140 0.000 2.641 1025 A HA -0.180 4.150 4.320 0.017 0.000 0.228 1025 A C 0.370 177.813 177.584 -0.236 0.000 1.049 1025 A CA 0.610 52.544 52.037 -0.172 0.000 0.779 1025 A CB -0.184 18.821 19.000 0.009 0.000 0.947 1025 A HN 0.358 nan 8.150 nan 0.000 0.498 1026 Y N 0.491 120.894 120.300 0.171 0.000 2.490 1026 Y HA 0.181 4.741 4.550 0.017 0.000 0.285 1026 Y C 1.056 177.045 175.900 0.149 0.000 1.117 1026 Y CA 0.594 58.781 58.100 0.144 0.000 1.262 1026 Y CB 0.087 38.608 38.460 0.102 0.000 1.043 1026 Y HN 0.440 nan 8.280 nan 0.000 0.553 1027 L N 0.373 121.748 121.223 0.255 0.000 2.959 1027 L HA 0.558 4.908 4.340 0.017 0.000 0.236 1027 L C 0.156 177.086 176.870 0.100 0.000 1.296 1027 L CA -0.340 54.601 54.840 0.169 0.000 1.047 1027 L CB 0.102 42.253 42.059 0.153 0.000 1.395 1027 L HN 0.000 nan 8.230 nan 0.000 0.492 1028 A N 1.578 124.476 122.820 0.130 0.000 3.355 1028 A HA 0.274 4.604 4.320 0.017 0.000 0.290 1028 A C 0.818 178.564 177.584 0.270 0.000 0.973 1028 A CA -0.325 51.808 52.037 0.160 0.000 0.933 1028 A CB -0.302 18.840 19.000 0.238 0.000 1.138 1028 A HN 0.778 nan 8.150 nan 0.000 0.490 1029 N N -0.245 118.509 118.700 0.090 0.000 2.686 1029 N HA -0.261 4.489 4.740 0.017 0.000 0.249 1029 N C -0.375 175.212 175.510 0.128 0.000 1.082 1029 N CA 1.894 54.919 53.050 -0.042 0.000 0.725 1029 N CB -1.386 36.924 38.487 -0.295 0.000 1.009 1029 N HN 0.623 nan 8.380 nan 0.000 0.545 1030 K N -0.381 120.161 120.400 0.236 0.000 2.156 1030 K HA 0.346 4.676 4.320 0.017 0.000 0.254 1030 K C -0.609 176.153 176.600 0.271 0.000 0.950 1030 K CA -0.717 55.754 56.287 0.305 0.000 0.849 1030 K CB 0.690 33.334 32.500 0.239 0.000 1.100 1030 K HN 0.169 nan 8.250 nan 0.000 0.434 1031 W N 2.623 124.131 121.300 0.347 0.000 2.251 1031 W HA 0.208 4.877 4.660 0.016 0.000 0.327 1031 W C 0.007 176.905 176.519 0.632 0.000 1.361 1031 W CA -0.338 57.258 57.345 0.418 0.000 1.234 1031 W CB 0.511 30.117 29.460 0.244 0.000 1.212 1031 W HN 0.176 nan 8.180 nan 0.000 0.557 1032 V N 1.679 122.089 119.914 0.827 0.000 3.001 1032 V HA 0.575 4.705 4.120 0.017 0.000 0.314 1032 V C -1.331 174.946 176.094 0.304 0.000 1.099 1032 V CA -1.494 61.144 62.300 0.562 0.000 0.989 1032 V CB 2.008 34.015 31.823 0.308 0.000 1.040 1032 V HN 0.298 nan 8.190 nan 0.000 0.434 1033 F N 4.086 123.770 119.950 -0.443 0.000 2.375 1033 F HA 0.737 5.274 4.527 0.017 0.000 0.361 1033 F C -0.451 174.859 175.800 -0.817 0.000 1.117 1033 F CA -1.339 56.036 58.000 -1.042 0.000 1.037 1033 F CB 0.884 38.886 39.000 -1.662 0.000 1.192 1033 F HN 0.374 nan 8.300 nan 0.000 0.452 1034 I N 4.628 124.352 120.570 -1.411 0.000 2.385 1034 I HA 0.321 4.501 4.170 0.017 0.000 0.294 1034 I C 0.209 175.431 176.117 -1.493 0.000 0.988 1034 I CA -0.310 60.179 61.300 -1.352 0.000 1.265 1034 I CB 1.278 38.310 38.000 -1.614 0.000 1.388 1034 I HN 0.569 nan 8.210 nan 0.000 0.480 1035 T N 7.038 120.997 114.554 -0.992 0.000 2.991 1035 T HA 0.656 5.016 4.350 0.017 0.000 0.303 1035 T C -0.964 173.429 174.700 -0.511 0.000 1.015 1035 T CA -0.459 61.205 62.100 -0.728 0.000 1.007 1035 T CB 0.759 69.262 68.868 -0.608 0.000 1.034 1035 T HN 0.360 nan 8.240 nan 0.000 0.446 1036 I N 5.238 125.456 120.570 -0.587 0.000 2.436 1036 I HA 0.398 4.578 4.170 0.017 0.000 0.289 1036 I C 0.316 176.050 176.117 -0.639 0.000 1.010 1036 I CA -0.922 59.950 61.300 -0.713 0.000 1.098 1036 I CB 2.193 39.435 38.000 -1.264 0.000 1.266 1036 I HN 0.752 nan 8.210 nan 0.000 0.434 1037 T N 2.263 116.543 114.554 -0.458 0.000 2.823 1037 T HA 0.476 4.836 4.350 0.017 0.000 0.279 1037 T C -0.476 173.988 174.700 -0.392 0.000 0.998 1037 T CA -0.910 60.970 62.100 -0.367 0.000 0.994 1037 T CB 1.565 70.330 68.868 -0.172 0.000 0.960 1037 T HN 0.516 nan 8.240 nan 0.000 0.448 1038 N N 3.090 121.524 118.700 -0.444 0.000 2.531 1038 N HA 0.168 4.918 4.740 0.017 0.000 0.268 1038 N C -1.613 173.820 175.510 -0.127 0.000 1.023 1038 N CA -0.568 52.293 53.050 -0.315 0.000 0.896 1038 N CB 1.983 40.155 38.487 -0.525 0.000 1.233 1038 N HN 0.743 nan 8.380 nan 0.000 0.512 1039 D N 2.494 122.865 120.400 -0.047 0.000 2.396 1039 D HA 0.136 4.786 4.640 0.017 0.000 0.225 1039 D C 1.042 177.377 176.300 0.058 0.000 1.121 1039 D CA -0.322 53.688 54.000 0.016 0.000 0.853 1039 D CB 0.781 41.583 40.800 0.005 0.000 1.043 1039 D HN 0.236 nan 8.370 nan 0.000 0.500 1040 R N 2.991 123.556 120.500 0.108 0.000 2.249 1040 R HA -0.059 4.291 4.340 0.017 0.000 0.230 1040 R C 1.393 177.749 176.300 0.094 0.000 1.121 1040 R CA 0.511 56.690 56.100 0.131 0.000 0.997 1040 R CB -0.194 30.215 30.300 0.182 0.000 0.867 1040 R HN 0.578 nan 8.270 nan 0.000 0.465 1041 L N 0.369 121.634 121.223 0.069 0.000 2.592 1041 L HA 0.037 4.387 4.340 0.017 0.000 0.227 1041 L C 1.344 178.235 176.870 0.036 0.000 1.127 1041 L CA 0.245 55.115 54.840 0.050 0.000 0.884 1041 L CB -0.015 42.069 42.059 0.041 0.000 1.065 1041 L HN 0.224 nan 8.230 nan 0.000 0.457 1042 S N -3.693 112.027 115.700 0.033 0.000 5.007 1042 S HA 0.248 4.728 4.470 0.017 0.000 0.151 1042 S C 0.212 174.823 174.600 0.017 0.000 1.182 1042 S CA -0.364 57.848 58.200 0.019 0.000 1.145 1042 S CB 1.026 64.230 63.200 0.007 0.000 2.073 1042 S HN -0.028 nan 8.310 nan 0.000 0.745 1043 S N 0.197 115.896 115.700 -0.001 0.000 2.677 1043 S HA 0.877 5.357 4.470 0.017 0.000 0.304 1043 S C -1.020 173.563 174.600 -0.029 0.000 1.108 1043 S CA -0.159 58.034 58.200 -0.012 0.000 0.944 1043 S CB 1.618 64.796 63.200 -0.037 0.000 1.127 1043 S HN 1.072 nan 8.310 nan 0.000 0.511 1044 A N 1.987 124.792 122.820 -0.025 0.000 2.288 1044 A HA 0.650 4.980 4.320 0.017 0.000 0.320 1044 A C -0.657 176.840 177.584 -0.145 0.000 1.217 1044 A CA -0.647 51.348 52.037 -0.071 0.000 0.840 1044 A CB 0.010 19.051 19.000 0.068 0.000 1.179 1044 A HN 0.836 nan 8.150 nan 0.000 0.504 1045 N N 0.945 119.495 118.700 -0.251 0.000 2.372 1045 N HA 0.500 5.250 4.740 0.017 0.000 0.291 1045 N C -1.127 174.089 175.510 -0.491 0.000 1.024 1045 N CA -0.552 52.270 53.050 -0.380 0.000 0.873 1045 N CB 2.063 40.273 38.487 -0.462 0.000 1.206 1045 N HN 0.550 nan 8.380 nan 0.000 0.486 1046 L N 3.780 124.704 121.223 -0.498 0.000 2.280 1046 L HA 0.479 4.829 4.340 0.017 0.000 0.287 1046 L C -1.639 174.890 176.870 -0.570 0.000 1.023 1046 L CA -0.474 54.087 54.840 -0.464 0.000 0.819 1046 L CB -0.190 41.689 42.059 -0.300 0.000 1.212 1046 L HN 0.468 nan 8.230 nan 0.000 0.420 1047 Y N 4.984 125.008 120.300 -0.461 0.000 2.487 1047 Y HA 0.693 5.253 4.550 0.016 0.000 0.337 1047 Y C -0.111 175.411 175.900 -0.631 0.000 1.076 1047 Y CA -0.652 57.155 58.100 -0.488 0.000 1.115 1047 Y CB 1.732 39.930 38.460 -0.436 0.000 1.235 1047 Y HN 0.397 nan 8.280 nan 0.000 0.468 1048 I N 1.959 122.217 120.570 -0.521 0.000 2.499 1048 I HA 0.236 4.416 4.170 0.017 0.000 0.288 1048 I C -0.638 175.094 176.117 -0.641 0.000 1.048 1048 I CA -0.913 59.963 61.300 -0.707 0.000 1.062 1048 I CB 1.611 38.982 38.000 -1.048 0.000 1.238 1048 I HN 0.676 nan 8.210 nan 0.000 0.426 1049 N N 4.556 122.849 118.700 -0.679 0.000 2.696 1049 N HA -0.209 4.541 4.740 0.017 0.000 0.249 1049 N C 0.835 175.799 175.510 -0.909 0.000 1.090 1049 N CA 1.583 54.052 53.050 -0.968 0.000 0.716 1049 N CB -0.871 37.402 38.487 -0.357 0.000 1.020 1049 N HN 1.172 nan 8.380 nan 0.000 0.548 1050 G N -3.445 104.975 108.800 -0.633 0.000 2.157 1050 G HA2 -0.266 3.704 3.960 0.017 0.000 0.248 1050 G HA3 -0.266 3.704 3.960 0.017 0.000 0.248 1050 G C -0.032 174.805 174.900 -0.106 0.000 0.979 1050 G CA 0.285 45.199 45.100 -0.311 0.000 0.650 1050 G HN 0.494 nan 8.290 nan 0.000 0.529 1051 V N 0.739 120.600 119.914 -0.089 0.000 2.815 1051 V HA 0.722 4.852 4.120 0.017 0.000 0.314 1051 V C 0.245 176.340 176.094 0.002 0.000 1.064 1051 V CA -0.963 61.330 62.300 -0.012 0.000 0.952 1051 V CB 1.854 33.622 31.823 -0.092 0.000 1.020 1051 V HN 0.429 nan 8.190 nan 0.000 0.439 1052 L N 5.145 126.324 121.223 -0.074 0.000 2.325 1052 L HA 0.319 4.669 4.340 0.017 0.000 0.284 1052 L C 0.646 177.331 176.870 -0.308 0.000 1.089 1052 L CA 0.627 55.239 54.840 -0.380 0.000 0.836 1052 L CB 0.819 42.671 42.059 -0.344 0.000 1.184 1052 L HN 0.591 nan 8.230 nan 0.000 0.444 1053 M N 3.458 122.825 119.600 -0.388 0.000 2.552 1053 M HA 0.445 4.935 4.480 0.017 0.000 0.264 1053 M C 0.861 177.073 176.300 -0.147 0.000 1.159 1053 M CA 0.542 55.661 55.300 -0.301 0.000 1.176 1053 M CB -0.418 31.814 32.600 -0.613 0.000 1.327 1053 M HN 0.627 nan 8.290 nan 0.000 0.481 1054 G N -0.077 108.596 108.800 -0.211 0.000 2.649 1054 G HA2 0.602 4.572 3.960 0.017 0.000 0.290 1054 G HA3 0.602 4.572 3.960 0.017 0.000 0.290 1054 G C -1.459 173.340 174.900 -0.167 0.000 1.426 1054 G CA -0.195 44.841 45.100 -0.106 0.000 0.794 1054 G HN 0.274 nan 8.290 nan 0.000 0.483 1055 S N -1.796 113.848 115.700 -0.093 0.000 2.597 1055 S HA 0.916 5.396 4.470 0.017 0.000 0.274 1055 S C -0.813 173.768 174.600 -0.031 0.000 1.132 1055 S CA 0.046 58.187 58.200 -0.097 0.000 0.835 1055 S CB 1.295 64.416 63.200 -0.132 0.000 1.092 1055 S HN 2.584 nan 8.310 nan 0.000 0.457 1056 A N 0.745 123.559 122.820 -0.011 0.000 2.604 1056 A HA 0.804 5.134 4.320 0.017 0.000 0.295 1056 A C -1.424 176.173 177.584 0.022 0.000 1.067 1056 A CA -0.693 51.354 52.037 0.017 0.000 0.683 1056 A CB 1.366 20.394 19.000 0.046 0.000 1.281 1056 A HN 0.748 nan 8.150 nan 0.000 0.407 1057 E N 0.855 121.068 120.200 0.023 0.000 2.299 1057 E HA 0.337 4.697 4.350 0.017 0.000 0.272 1057 E C 0.740 177.367 176.600 0.045 0.000 1.043 1057 E CA 0.291 56.707 56.400 0.027 0.000 0.895 1057 E CB 0.342 30.055 29.700 0.021 0.000 1.011 1057 E HN 0.544 nan 8.360 nan 0.000 0.432 1058 I N -0.151 120.451 120.570 0.054 0.000 4.025 1058 I HA 0.192 4.372 4.170 0.017 0.000 0.336 1058 I C 0.166 176.330 176.117 0.077 0.000 1.390 1058 I CA -0.522 60.824 61.300 0.078 0.000 1.099 1058 I CB 0.300 38.363 38.000 0.106 0.000 1.049 1058 I HN 0.179 nan 8.210 nan 0.000 0.394 1059 T N 0.244 114.834 114.554 0.059 0.000 2.765 1059 T HA 0.510 4.870 4.350 0.017 0.000 0.284 1059 T C 1.065 175.798 174.700 0.055 0.000 0.946 1059 T CA 0.353 62.487 62.100 0.056 0.000 1.185 1059 T CB 0.799 69.691 68.868 0.040 0.000 0.887 1059 T HN 0.700 nan 8.240 nan 0.000 0.532 1060 G N 2.792 111.630 108.800 0.064 0.000 2.551 1060 G HA2 -0.086 3.884 3.960 0.017 0.000 0.186 1060 G HA3 -0.086 3.884 3.960 0.017 0.000 0.186 1060 G C -0.133 174.807 174.900 0.066 0.000 1.002 1060 G CA -0.355 44.779 45.100 0.057 0.000 0.723 1060 G HN 0.973 nan 8.290 nan 0.000 0.481 1061 L N -0.009 121.264 121.223 0.083 0.000 2.343 1061 L HA 0.942 5.292 4.340 0.017 0.000 0.275 1061 L C 0.414 177.354 176.870 0.116 0.000 1.056 1061 L CA -0.629 54.263 54.840 0.087 0.000 0.804 1061 L CB 1.770 43.882 42.059 0.087 0.000 1.203 1061 L HN 0.236 nan 8.230 nan 0.000 0.440 1062 G N 1.081 109.952 108.800 0.118 0.000 2.591 1062 G HA2 0.638 4.608 3.960 0.017 0.000 0.306 1062 G HA3 0.638 4.608 3.960 0.017 0.000 0.306 1062 G C -0.419 174.564 174.900 0.138 0.000 1.334 1062 G CA -0.513 44.694 45.100 0.179 0.000 0.981 1062 G HN 1.283 nan 8.290 nan 0.000 0.491 1063 A N 1.288 124.180 122.820 0.120 0.000 1.758 1063 A HA -0.139 4.191 4.320 0.017 0.000 0.226 1063 A C -0.024 177.482 177.584 -0.129 0.000 1.327 1063 A CA 0.160 52.104 52.037 -0.155 0.000 0.681 1063 A CB -1.772 17.213 19.000 -0.026 0.000 1.173 1063 A HN 0.991 nan 8.150 nan 0.000 0.234 1064 I N 2.923 123.386 120.570 -0.178 0.000 2.291 1064 I HA 0.268 4.448 4.170 0.017 0.000 0.292 1064 I C 0.924 176.961 176.117 -0.133 0.000 1.064 1064 I CA 0.100 61.342 61.300 -0.097 0.000 1.269 1064 I CB 0.995 38.972 38.000 -0.039 0.000 1.418 1064 I HN 0.683 nan 8.210 nan 0.000 0.485 1065 R N 6.524 126.968 120.500 -0.094 0.000 2.272 1065 R HA 0.348 4.698 4.340 0.017 0.000 0.323 1065 R C -0.681 175.586 176.300 -0.054 0.000 1.002 1065 R CA -0.408 55.651 56.100 -0.068 0.000 0.900 1065 R CB 0.827 31.089 30.300 -0.062 0.000 1.151 1065 R HN 0.644 nan 8.270 nan 0.000 0.507 1066 E N 1.480 121.644 120.200 -0.059 0.000 2.412 1066 E HA 0.283 4.643 4.350 0.017 0.000 0.255 1066 E C -0.936 175.609 176.600 -0.091 0.000 0.933 1066 E CA -1.002 55.340 56.400 -0.095 0.000 0.823 1066 E CB 0.274 29.875 29.700 -0.165 0.000 1.352 1066 E HN 0.233 nan 8.360 nan 0.000 0.406 1067 D N -0.356 119.970 120.400 -0.123 0.000 2.443 1067 D HA -0.037 4.613 4.640 0.017 0.000 0.234 1067 D C 0.115 176.342 176.300 -0.123 0.000 1.172 1067 D CA 0.220 54.154 54.000 -0.110 0.000 0.878 1067 D CB 0.394 41.115 40.800 -0.132 0.000 1.204 1067 D HN 0.549 nan 8.370 nan 0.000 0.453 1068 N N 0.971 119.606 118.700 -0.108 0.000 2.383 1068 N HA 0.013 4.763 4.740 0.017 0.000 0.192 1068 N C -0.543 174.863 175.510 -0.174 0.000 1.141 1068 N CA -0.131 52.809 53.050 -0.184 0.000 0.851 1068 N CB 0.090 38.444 38.487 -0.221 0.000 0.976 1068 N HN 0.122 nan 8.380 nan 0.000 0.465 1069 N N 0.474 119.124 118.700 -0.083 0.000 2.284 1069 N HA 0.306 5.056 4.740 0.017 0.000 0.300 1069 N C -1.094 174.363 175.510 -0.088 0.000 1.047 1069 N CA -0.495 52.539 53.050 -0.025 0.000 0.821 1069 N CB 1.809 40.318 38.487 0.036 0.000 1.337 1069 N HN -0.070 nan 8.380 nan 0.000 0.482 1070 I N 1.584 122.120 120.570 -0.057 0.000 2.365 1070 I HA 0.227 4.407 4.170 0.017 0.000 0.291 1070 I C 0.425 176.464 176.117 -0.130 0.000 1.004 1070 I CA 0.000 61.237 61.300 -0.106 0.000 1.311 1070 I CB 0.967 38.996 38.000 0.048 0.000 1.401 1070 I HN 0.252 nan 8.210 nan 0.000 0.491 1071 T N 7.404 121.838 114.554 -0.199 0.000 2.779 1071 T HA 0.491 4.851 4.350 0.017 0.000 0.280 1071 T C -0.258 174.324 174.700 -0.198 0.000 0.987 1071 T CA -0.423 61.572 62.100 -0.175 0.000 0.966 1071 T CB 1.260 70.027 68.868 -0.168 0.000 0.933 1071 T HN 0.126 nan 8.240 nan 0.000 0.442 1072 L N 4.915 126.030 121.223 -0.181 0.000 2.277 1072 L HA 0.615 4.965 4.340 0.017 0.000 0.284 1072 L C 0.041 176.833 176.870 -0.130 0.000 1.028 1072 L CA 0.092 54.825 54.840 -0.178 0.000 0.835 1072 L CB 0.335 42.286 42.059 -0.180 0.000 1.215 1072 L HN 0.524 nan 8.230 nan 0.000 0.425 1073 K N 3.773 124.105 120.400 -0.113 0.000 2.675 1073 K HA 0.327 4.657 4.320 0.017 0.000 0.280 1073 K C -1.880 174.686 176.600 -0.057 0.000 0.993 1073 K CA -0.708 55.521 56.287 -0.095 0.000 0.863 1073 K CB 1.156 33.578 32.500 -0.129 0.000 1.438 1073 K HN 0.355 nan 8.250 nan 0.000 0.389 1074 L N 2.644 123.840 121.223 -0.046 0.000 2.360 1074 L HA 0.285 4.635 4.340 0.017 0.000 0.276 1074 L C 0.074 176.927 176.870 -0.029 0.000 1.121 1074 L CA -0.122 54.717 54.840 -0.002 0.000 0.845 1074 L CB 0.502 42.509 42.059 -0.087 0.000 1.143 1074 L HN 0.551 nan 8.230 nan 0.000 0.452 1075 D N 4.685 125.106 120.400 0.035 0.000 2.549 1075 D HA 0.155 4.805 4.640 0.017 0.000 0.251 1075 D C 0.149 176.464 176.300 0.024 0.000 1.153 1075 D CA -0.649 53.350 54.000 -0.002 0.000 0.861 1075 D CB 1.115 41.907 40.800 -0.012 0.000 1.207 1075 D HN 0.447 nan 8.370 nan 0.000 0.543 1076 R N 2.340 122.823 120.500 -0.029 0.000 3.531 1076 R HA -0.191 4.159 4.340 0.017 0.000 0.280 1076 R C -1.508 174.760 176.300 -0.053 0.000 1.130 1076 R CA 0.278 56.360 56.100 -0.030 0.000 0.757 1076 R CB -2.824 27.472 30.300 -0.007 0.000 1.218 1076 R HN 0.392 nan 8.270 nan 0.000 0.454 1077 C N 1.191 120.376 119.300 -0.192 0.000 2.394 1077 C HA 0.430 4.899 4.460 0.017 0.000 0.362 1077 C C 1.624 176.384 174.990 -0.383 0.000 1.268 1077 C CA -0.560 58.175 59.018 -0.471 0.000 1.828 1077 C CB 0.137 27.305 27.740 -0.954 0.000 2.442 1077 C HN 0.633 nan 8.230 nan 0.000 0.549 1078 N N 3.109 121.601 118.700 -0.346 0.000 2.216 1078 N HA -0.058 4.692 4.740 0.017 0.000 0.183 1078 N C 0.444 175.639 175.510 -0.526 0.000 1.017 1078 N CA 0.921 53.818 53.050 -0.256 0.000 0.861 1078 N CB -0.334 38.186 38.487 0.055 0.000 0.986 1078 N HN 0.826 nan 8.380 nan 0.000 0.428 1079 N N 1.768 119.803 118.700 -1.109 0.000 2.405 1079 N HA 0.011 4.760 4.740 0.017 0.000 0.260 1079 N C 0.482 175.654 175.510 -0.562 0.000 1.152 1079 N CA 0.162 52.476 53.050 -1.226 0.000 0.948 1079 N CB -0.047 37.490 38.487 -1.583 0.000 1.111 1079 N HN 0.009 nan 8.380 nan 0.000 0.485 1080 N N 3.238 121.759 118.700 -0.300 0.000 2.513 1080 N HA -0.094 4.656 4.740 0.017 0.000 0.187 1080 N C 0.064 175.490 175.510 -0.140 0.000 1.056 1080 N CA 0.594 53.541 53.050 -0.171 0.000 0.907 1080 N CB 0.196 38.640 38.487 -0.072 0.000 0.954 1080 N HN 0.596 nan 8.380 nan 0.000 0.445 1081 N N 0.165 118.760 118.700 -0.175 0.000 2.356 1081 N HA -0.011 4.739 4.740 0.017 0.000 0.178 1081 N C 0.138 175.607 175.510 -0.068 0.000 1.075 1081 N CA 0.072 53.081 53.050 -0.069 0.000 0.889 1081 N CB 0.356 38.843 38.487 0.000 0.000 0.999 1081 N HN 0.217 nan 8.380 nan 0.000 0.464 1082 Q N 1.006 120.657 119.800 -0.249 0.000 2.369 1082 Q HA -0.019 4.331 4.340 0.017 0.000 0.295 1082 Q C -0.555 175.396 176.000 -0.083 0.000 1.075 1082 Q CA 0.767 56.409 55.803 -0.269 0.000 0.941 1082 Q CB 0.370 28.873 28.738 -0.393 0.000 1.260 1082 Q HN 0.316 nan 8.270 nan 0.000 0.417 1083 Y N -1.940 118.291 120.300 -0.115 0.000 2.644 1083 Y HA 0.777 5.337 4.550 0.016 0.000 0.338 1083 Y C -0.577 175.272 175.900 -0.085 0.000 1.119 1083 Y CA -1.349 56.656 58.100 -0.158 0.000 1.060 1083 Y CB 1.040 39.429 38.460 -0.118 0.000 1.294 1083 Y HN 0.303 nan 8.280 nan 0.000 0.472 1084 V N -2.107 117.833 119.914 0.044 0.000 3.167 1084 V HA 0.810 4.940 4.120 0.017 0.000 0.293 1084 V C -1.304 174.863 176.094 0.122 0.000 1.379 1084 V CA -0.828 61.515 62.300 0.072 0.000 1.019 1084 V CB 1.578 33.436 31.823 0.059 0.000 1.115 1084 V HN 0.941 nan 8.190 nan 0.000 0.442 1085 S N 2.733 118.515 115.700 0.137 0.000 2.503 1085 S HA 0.895 5.375 4.470 0.017 0.000 0.301 1085 S C -0.659 174.128 174.600 0.312 0.000 1.087 1085 S CA -0.521 57.811 58.200 0.220 0.000 1.042 1085 S CB 1.426 64.690 63.200 0.107 0.000 1.043 1085 S HN 0.758 nan 8.310 nan 0.000 0.489 1086 I N 2.155 122.965 120.570 0.400 0.000 2.533 1086 I HA 0.477 4.657 4.170 0.017 0.000 0.290 1086 I C -1.075 175.328 176.117 0.477 0.000 1.056 1086 I CA -0.435 61.135 61.300 0.451 0.000 1.057 1086 I CB 2.176 40.294 38.000 0.196 0.000 1.240 1086 I HN 0.448 nan 8.210 nan 0.000 0.423 1087 D N 5.272 125.998 120.400 0.543 0.000 2.671 1087 D HA 0.383 5.033 4.640 0.017 0.000 0.232 1087 D C -0.580 175.949 176.300 0.381 0.000 1.114 1087 D CA -0.343 53.854 54.000 0.328 0.000 0.858 1087 D CB 1.489 42.309 40.800 0.032 0.000 1.544 1087 D HN 0.286 nan 8.370 nan 0.000 0.471 1088 K N 1.688 122.249 120.400 0.268 0.000 3.077 1088 K HA -0.237 4.093 4.320 0.017 0.000 0.264 1088 K C -0.189 176.606 176.600 0.324 0.000 1.008 1088 K CA 0.217 56.665 56.287 0.268 0.000 0.740 1088 K CB -2.048 30.572 32.500 0.201 0.000 1.273 1088 K HN 0.426 nan 8.250 nan 0.000 0.477 1089 F N 1.374 121.449 119.950 0.209 0.000 2.608 1089 F HA 0.096 4.633 4.527 0.016 0.000 0.380 1089 F C 0.847 176.733 175.800 0.143 0.000 1.083 1089 F CA 0.568 58.686 58.000 0.197 0.000 1.266 1089 F CB 0.373 39.457 39.000 0.141 0.000 1.076 1089 F HN 0.185 nan 8.300 nan 0.000 0.574 1090 R N 6.153 126.242 120.500 -0.685 0.000 2.626 1090 R HA 0.566 4.916 4.340 0.017 0.000 0.274 1090 R C -1.966 173.983 176.300 -0.585 0.000 1.031 1090 R CA -0.671 55.137 56.100 -0.488 0.000 0.898 1090 R CB 1.265 31.383 30.300 -0.304 0.000 1.222 1090 R HN 0.603 nan 8.270 nan 0.000 0.455 1091 I N 4.529 124.831 120.570 -0.447 0.000 2.466 1091 I HA 0.394 4.574 4.170 0.017 0.000 0.289 1091 I C -0.908 175.040 176.117 -0.283 0.000 1.026 1091 I CA -0.577 60.588 61.300 -0.225 0.000 1.078 1091 I CB 1.522 39.529 38.000 0.011 0.000 1.249 1091 I HN 0.498 nan 8.210 nan 0.000 0.429 1092 F N 3.862 123.833 119.950 0.035 0.000 2.492 1092 F HA 0.307 4.844 4.527 0.016 0.000 0.327 1092 F C 0.962 176.836 175.800 0.122 0.000 1.079 1092 F CA -0.847 57.182 58.000 0.049 0.000 0.967 1092 F CB 1.375 40.374 39.000 -0.002 0.000 1.169 1092 F HN 0.521 nan 8.300 nan 0.000 0.472 1093 c N 1.315 120.121 118.600 0.344 0.000 2.687 1093 c HA 0.618 5.198 4.570 0.017 0.000 0.465 1093 c C -0.318 173.948 174.090 0.293 0.000 1.304 1093 c CA -0.765 55.763 56.329 0.331 0.000 1.620 1093 c CB -2.292 40.441 42.510 0.371 0.000 2.212 1093 c HN 0.841 nan 8.230 nan 0.000 0.616 1094 K N -0.871 119.672 120.400 0.239 0.000 2.639 1094 K HA 0.563 4.893 4.320 0.017 0.000 0.279 1094 K C -1.089 175.528 176.600 0.028 0.000 0.976 1094 K CA -0.346 56.023 56.287 0.137 0.000 0.861 1094 K CB 0.687 33.256 32.500 0.114 0.000 1.436 1094 K HN 0.233 nan 8.250 nan 0.000 0.400 1095 A N 3.720 126.538 122.820 -0.004 0.000 2.476 1095 A HA 0.318 4.648 4.320 0.017 0.000 0.275 1095 A C 0.028 177.552 177.584 -0.100 0.000 1.133 1095 A CA -0.333 51.661 52.037 -0.072 0.000 0.797 1095 A CB -0.603 18.369 19.000 -0.046 0.000 1.081 1095 A HN 0.534 nan 8.150 nan 0.000 0.510 1096 L N 2.634 123.746 121.223 -0.186 0.000 2.418 1096 L HA 0.248 4.598 4.340 0.017 0.000 0.265 1096 L C 0.593 177.353 176.870 -0.184 0.000 1.143 1096 L CA -0.736 53.959 54.840 -0.241 0.000 0.809 1096 L CB 0.546 42.352 42.059 -0.421 0.000 1.124 1096 L HN 0.883 nan 8.230 nan 0.000 0.456 1097 N N 0.997 119.600 118.700 -0.162 0.000 2.476 1097 N HA 0.355 5.105 4.740 0.017 0.000 0.275 1097 N C -2.358 173.038 175.510 -0.190 0.000 1.190 1097 N CA -2.107 50.872 53.050 -0.120 0.000 0.977 1097 N CB 0.080 38.520 38.487 -0.077 0.000 1.200 1097 N HN 0.134 nan 8.380 nan 0.000 0.515 1098 P HA -0.141 nan 4.420 nan 0.000 0.216 1098 P C 0.607 177.803 177.300 -0.173 0.000 1.150 1098 P CA 1.829 64.798 63.100 -0.218 0.000 0.837 1098 P CB 0.167 31.836 31.700 -0.052 0.000 0.786 1099 K N -0.550 119.782 120.400 -0.114 0.000 2.211 1099 K HA -0.131 4.199 4.320 0.017 0.000 0.203 1099 K C 1.990 178.517 176.600 -0.122 0.000 1.050 1099 K CA 1.109 57.339 56.287 -0.095 0.000 0.945 1099 K CB -0.182 32.278 32.500 -0.067 0.000 0.732 1099 K HN 0.221 nan 8.250 nan 0.000 0.451 1100 E N 0.753 120.858 120.200 -0.157 0.000 2.072 1100 E HA -0.076 4.284 4.350 0.017 0.000 0.190 1100 E C 1.884 178.352 176.600 -0.220 0.000 0.982 1100 E CA 0.713 56.999 56.400 -0.189 0.000 0.803 1100 E CB 0.093 29.655 29.700 -0.230 0.000 0.755 1100 E HN 0.198 nan 8.360 nan 0.000 0.453 1101 I N 0.962 121.364 120.570 -0.280 0.000 2.127 1101 I HA -0.276 3.904 4.170 0.017 0.000 0.241 1101 I C 2.506 178.539 176.117 -0.140 0.000 1.075 1101 I CA 1.209 62.326 61.300 -0.305 0.000 1.334 1101 I CB -0.242 37.387 38.000 -0.619 0.000 1.040 1101 I HN 0.121 nan 8.210 nan 0.000 0.405 1102 E N 1.589 121.718 120.200 -0.117 0.000 2.097 1102 E HA -0.295 4.065 4.350 0.017 0.000 0.196 1102 E C 1.970 178.556 176.600 -0.023 0.000 1.000 1102 E CA 1.739 58.134 56.400 -0.008 0.000 0.804 1102 E CB -0.127 29.557 29.700 -0.027 0.000 0.740 1102 E HN 0.175 nan 8.360 nan 0.000 0.454 1103 K N -0.523 119.831 120.400 -0.077 0.000 2.217 1103 K HA -0.020 4.310 4.320 0.017 0.000 0.202 1103 K C 1.937 178.465 176.600 -0.120 0.000 1.051 1103 K CA 0.813 57.041 56.287 -0.098 0.000 0.952 1103 K CB -0.358 32.080 32.500 -0.103 0.000 0.736 1103 K HN 0.249 nan 8.250 nan 0.000 0.453 1104 L N -0.042 121.121 121.223 -0.099 0.000 2.109 1104 L HA -0.057 4.293 4.340 0.017 0.000 0.207 1104 L C 2.010 178.794 176.870 -0.143 0.000 1.086 1104 L CA 1.550 56.333 54.840 -0.095 0.000 0.760 1104 L CB -0.779 41.291 42.059 0.019 0.000 0.910 1104 L HN 0.283 nan 8.230 nan 0.000 0.437 1105 Y N 0.711 120.848 120.300 -0.272 0.000 2.133 1105 Y HA -0.206 4.354 4.550 0.016 0.000 0.287 1105 Y C 2.653 178.468 175.900 -0.142 0.000 1.134 1105 Y CA 2.148 59.997 58.100 -0.418 0.000 1.133 1105 Y CB -1.139 37.182 38.460 -0.233 0.000 0.987 1105 Y HN 0.426 nan 8.280 nan 0.000 0.502 1106 T N -2.054 112.339 114.554 -0.269 0.000 3.035 1106 T HA -0.101 4.259 4.350 0.017 0.000 0.268 1106 T C 2.056 176.643 174.700 -0.187 0.000 1.109 1106 T CA 1.035 62.958 62.100 -0.296 0.000 1.119 1106 T CB -0.953 67.778 68.868 -0.228 0.000 0.900 1106 T HN 0.442 nan 8.240 nan 0.000 0.503 1107 S N 0.204 115.767 115.700 -0.228 0.000 2.474 1107 S HA -0.060 4.420 4.470 0.017 0.000 0.235 1107 S C 1.535 175.965 174.600 -0.283 0.000 0.997 1107 S CA 0.182 58.210 58.200 -0.286 0.000 0.949 1107 S CB -0.791 62.157 63.200 -0.421 0.000 0.766 1107 S HN 0.585 nan 8.310 nan 0.000 0.517 1108 Y N 1.225 121.499 120.300 -0.043 0.000 2.510 1108 Y HA 0.439 4.999 4.550 0.016 0.000 0.273 1108 Y C 1.065 176.915 175.900 -0.083 0.000 1.119 1108 Y CA -0.190 57.907 58.100 -0.005 0.000 1.286 1108 Y CB 0.004 38.598 38.460 0.223 0.000 1.061 1108 Y HN 0.219 nan 8.280 nan 0.000 0.542 1109 L N 0.515 121.771 121.223 0.055 0.000 2.583 1109 L HA 0.173 4.523 4.340 0.017 0.000 0.239 1109 L C 0.566 177.420 176.870 -0.026 0.000 1.347 1109 L CA -0.213 54.624 54.840 -0.006 0.000 1.246 1109 L CB -0.271 41.768 42.059 -0.033 0.000 1.496 1109 L HN -0.055 nan 8.230 nan 0.000 0.413 1110 S N 0.654 116.338 115.700 -0.025 0.000 2.414 1110 S HA 0.173 4.653 4.470 0.017 0.000 0.290 1110 S C 1.529 176.150 174.600 0.035 0.000 1.160 1110 S CA -0.759 57.438 58.200 -0.005 0.000 1.069 1110 S CB 0.221 63.421 63.200 0.000 0.000 1.012 1110 S HN 0.413 nan 8.310 nan 0.000 0.510 1111 I N 5.065 125.648 120.570 0.022 0.000 2.285 1111 I HA -0.233 3.947 4.170 0.017 0.000 0.254 1111 I C 2.726 178.867 176.117 0.041 0.000 1.093 1111 I CA 1.927 63.243 61.300 0.026 0.000 1.368 1111 I CB -1.585 36.416 38.000 0.001 0.000 1.054 1111 I HN 0.695 nan 8.210 nan 0.000 0.435 1112 T N -0.423 114.168 114.554 0.062 0.000 2.896 1112 T HA -0.157 4.203 4.350 0.017 0.000 0.270 1112 T C 0.325 174.979 174.700 -0.078 0.000 1.104 1112 T CA 1.029 63.139 62.100 0.016 0.000 1.115 1112 T CB -0.450 68.461 68.868 0.072 0.000 0.843 1112 T HN 0.131 nan 8.240 nan 0.000 0.523 1113 F N 0.377 120.293 119.950 -0.056 0.000 2.520 1113 F HA 0.576 5.113 4.527 0.016 0.000 0.322 1113 F C -0.045 175.722 175.800 -0.056 0.000 1.103 1113 F CA -1.307 56.662 58.000 -0.051 0.000 0.926 1113 F CB 1.573 40.537 39.000 -0.061 0.000 1.154 1113 F HN -0.123 nan 8.300 nan 0.000 0.453 1114 L N 3.620 124.882 121.223 0.065 0.000 2.379 1114 L HA 0.625 4.975 4.340 0.017 0.000 0.269 1114 L C -0.137 176.738 176.870 0.008 0.000 1.084 1114 L CA -0.863 53.973 54.840 -0.007 0.000 0.802 1114 L CB 1.093 43.073 42.059 -0.131 0.000 1.175 1114 L HN 0.569 nan 8.230 nan 0.000 0.448 1115 R N 0.124 120.622 120.500 -0.003 0.000 2.803 1115 R HA 0.397 4.747 4.340 0.017 0.000 0.276 1115 R C -1.274 175.020 176.300 -0.011 0.000 0.978 1115 R CA -1.005 55.086 56.100 -0.016 0.000 0.939 1115 R CB 1.729 31.986 30.300 -0.071 0.000 1.179 1115 R HN 0.654 nan 8.270 nan 0.000 0.472 1116 D N 0.325 120.722 120.400 -0.005 0.000 2.451 1116 D HA -0.032 4.618 4.640 0.017 0.000 0.259 1116 D C 0.707 177.056 176.300 0.083 0.000 1.201 1116 D CA -0.664 53.352 54.000 0.026 0.000 1.028 1116 D CB 0.342 41.204 40.800 0.103 0.000 1.095 1116 D HN 0.426 nan 8.370 nan 0.000 0.539 1117 F N -0.467 119.386 119.950 -0.163 0.000 2.184 1117 F HA -0.110 4.426 4.527 0.016 0.000 0.301 1117 F C 1.121 176.765 175.800 -0.261 0.000 1.076 1117 F CA 1.212 58.998 58.000 -0.356 0.000 1.295 1117 F CB -0.154 38.370 39.000 -0.793 0.000 1.026 1117 F HN 0.428 nan 8.300 nan 0.000 0.494 1118 W N -0.562 120.780 121.300 0.069 0.000 3.139 1118 W HA 0.375 5.046 4.660 0.019 0.000 0.260 1118 W C 1.797 178.291 176.519 -0.042 0.000 1.312 1118 W CA 0.541 57.879 57.345 -0.012 0.000 1.606 1118 W CB -0.185 29.329 29.460 0.090 0.000 1.118 1118 W HN 0.173 nan 8.180 nan 0.000 0.675 1119 G N 0.013 108.712 108.800 -0.170 0.000 2.179 1119 G HA2 -0.255 3.715 3.960 0.017 0.000 0.220 1119 G HA3 -0.255 3.715 3.960 0.017 0.000 0.220 1119 G C 0.059 174.821 174.900 -0.229 0.000 0.990 1119 G CA -0.540 44.102 45.100 -0.764 0.000 0.646 1119 G HN 0.113 nan 8.290 nan 0.000 0.517 1120 N N 1.298 120.060 118.700 0.103 0.000 2.495 1120 N HA 0.569 5.319 4.740 0.017 0.000 0.280 1120 N C -2.663 172.897 175.510 0.082 0.000 1.168 1120 N CA -1.567 51.579 53.050 0.159 0.000 0.978 1120 N CB 1.144 39.827 38.487 0.326 0.000 1.191 1120 N HN 0.029 nan 8.380 nan 0.000 0.497 1121 P HA 0.029 nan 4.420 nan 0.000 0.268 1121 P C -0.135 177.252 177.300 0.146 0.000 1.205 1121 P CA -0.292 62.920 63.100 0.186 0.000 0.771 1121 P CB 0.627 32.583 31.700 0.427 0.000 0.858 1122 L N 4.628 125.889 121.223 0.063 0.000 2.410 1122 L HA 0.182 4.532 4.340 0.017 0.000 0.273 1122 L C 0.423 177.259 176.870 -0.056 0.000 1.144 1122 L CA 0.599 55.391 54.840 -0.080 0.000 0.863 1122 L CB -0.371 41.525 42.059 -0.272 0.000 1.140 1122 L HN 0.473 nan 8.230 nan 0.000 0.463 1123 R N 3.882 124.407 120.500 0.041 0.000 2.854 1123 R HA 0.379 4.729 4.340 0.017 0.000 0.271 1123 R C -1.069 175.214 176.300 -0.028 0.000 0.996 1123 R CA -0.830 55.228 56.100 -0.070 0.000 0.961 1123 R CB 1.554 31.806 30.300 -0.080 0.000 1.182 1123 R HN 0.374 nan 8.270 nan 0.000 0.479 1124 Y N 0.785 121.116 120.300 0.052 0.000 2.260 1124 Y HA -0.034 4.526 4.550 0.016 0.000 0.339 1124 Y C 0.913 176.824 175.900 0.018 0.000 1.317 1124 Y CA 0.410 58.550 58.100 0.067 0.000 1.514 1124 Y CB 0.493 38.980 38.460 0.045 0.000 1.382 1124 Y HN 0.686 nan 8.280 nan 0.000 0.581 1125 D N -0.867 119.664 120.400 0.218 0.000 2.955 1125 D HA -0.207 4.443 4.640 0.017 0.000 0.226 1125 D C -0.125 176.164 176.300 -0.018 0.000 1.178 1125 D CA 1.531 55.573 54.000 0.069 0.000 0.808 1125 D CB -1.441 39.382 40.800 0.040 0.000 1.099 1125 D HN 0.474 nan 8.370 nan 0.000 0.421 1126 T N -1.335 113.176 114.554 -0.073 0.000 2.861 1126 T HA 0.378 4.738 4.350 0.017 0.000 0.287 1126 T C -0.377 174.057 174.700 -0.443 0.000 1.003 1126 T CA -0.802 61.144 62.100 -0.258 0.000 0.977 1126 T CB 1.993 70.685 68.868 -0.293 0.000 0.996 1126 T HN -0.023 nan 8.240 nan 0.000 0.448 1127 E N 3.039 123.029 120.200 -0.351 0.000 2.344 1127 E HA 0.274 4.634 4.350 0.017 0.000 0.270 1127 E C -1.153 175.205 176.600 -0.403 0.000 1.021 1127 E CA -0.158 56.071 56.400 -0.285 0.000 0.887 1127 E CB 0.570 30.152 29.700 -0.195 0.000 0.997 1127 E HN 0.584 nan 8.360 nan 0.000 0.429 1128 Y N 0.870 121.214 120.300 0.072 0.000 2.477 1128 Y HA 0.266 4.826 4.550 0.017 0.000 0.347 1128 Y C -0.634 175.256 175.900 -0.016 0.000 0.981 1128 Y CA -1.034 57.148 58.100 0.136 0.000 1.033 1128 Y CB 1.125 39.770 38.460 0.309 0.000 1.245 1128 Y HN 0.395 nan 8.280 nan 0.000 0.455 1129 Y N 2.189 122.671 120.300 0.303 0.000 2.310 1129 Y HA 0.420 4.979 4.550 0.015 0.000 0.326 1129 Y C 0.003 175.899 175.900 -0.006 0.000 1.151 1129 Y CA -0.650 57.570 58.100 0.201 0.000 1.195 1129 Y CB 0.763 39.322 38.460 0.166 0.000 1.210 1129 Y HN 0.369 nan 8.280 nan 0.000 0.483 1130 L N 4.907 126.123 121.223 -0.011 0.000 2.319 1130 L HA 0.388 4.738 4.340 0.017 0.000 0.280 1130 L C -0.605 176.336 176.870 0.118 0.000 1.099 1130 L CA 0.032 54.736 54.840 -0.227 0.000 0.828 1130 L CB 0.386 42.078 42.059 -0.611 0.000 1.150 1130 L HN 0.572 nan 8.230 nan 0.000 0.442 1131 I N 5.859 126.562 120.570 0.222 0.000 2.569 1131 I HA 0.363 4.543 4.170 0.017 0.000 0.290 1131 I C -2.388 173.855 176.117 0.210 0.000 1.088 1131 I CA -1.915 59.539 61.300 0.257 0.000 1.047 1131 I CB 2.947 41.086 38.000 0.231 0.000 1.237 1131 I HN 0.370 nan 8.210 nan 0.000 0.421 1132 P HA 0.133 nan 4.420 nan 0.000 0.285 1132 P C 0.677 177.723 177.300 -0.423 0.000 1.259 1132 P CA -0.221 62.511 63.100 -0.614 0.000 0.794 1132 P CB 2.081 33.283 31.700 -0.830 0.000 0.940 1133 V N 3.488 123.022 119.914 -0.633 0.000 2.407 1133 V HA -0.231 3.899 4.120 0.017 0.000 0.248 1133 V C 2.455 178.402 176.094 -0.244 0.000 1.055 1133 V CA 2.805 64.756 62.300 -0.582 0.000 1.049 1133 V CB -1.469 29.954 31.823 -0.666 0.000 0.662 1133 V HN 0.676 nan 8.190 nan 0.000 0.455 1134 A N -1.687 120.965 122.820 -0.280 0.000 2.208 1134 A HA 0.125 4.455 4.320 0.017 0.000 0.209 1134 A C 1.687 179.196 177.584 -0.125 0.000 1.161 1134 A CA 0.992 52.927 52.037 -0.170 0.000 0.782 1134 A CB 0.052 18.940 19.000 -0.187 0.000 0.816 1134 A HN 0.424 nan 8.150 nan 0.000 0.477 1135 S N -0.645 114.967 115.700 -0.147 0.000 2.694 1135 S HA 0.109 4.589 4.470 0.017 0.000 0.232 1135 S C 1.181 175.735 174.600 -0.077 0.000 1.017 1135 S CA 0.219 58.360 58.200 -0.098 0.000 1.139 1135 S CB 0.264 63.400 63.200 -0.107 0.000 1.247 1135 S HN 0.723 nan 8.310 nan 0.000 0.452 1136 S N 1.399 117.080 115.700 -0.032 0.000 2.441 1136 S HA -0.155 4.325 4.470 0.017 0.000 0.242 1136 S C 1.618 176.037 174.600 -0.302 0.000 1.018 1136 S CA 1.613 59.787 58.200 -0.044 0.000 0.988 1136 S CB -0.467 62.814 63.200 0.136 0.000 0.778 1136 S HN 0.642 nan 8.310 nan 0.000 0.498 1137 S N 0.132 115.713 115.700 -0.199 0.000 2.679 1137 S HA 0.370 4.850 4.470 0.017 0.000 0.233 1137 S C 0.006 174.540 174.600 -0.110 0.000 0.951 1137 S CA -0.739 57.343 58.200 -0.197 0.000 0.973 1137 S CB -0.091 63.040 63.200 -0.114 0.000 0.778 1137 S HN 0.238 nan 8.310 nan 0.000 0.477 1138 K N 1.728 122.082 120.400 -0.077 0.000 2.318 1138 K HA 0.551 4.881 4.320 0.017 0.000 0.249 1138 K C -1.032 175.576 176.600 0.014 0.000 0.942 1138 K CA -0.536 55.742 56.287 -0.014 0.000 0.808 1138 K CB 1.319 33.831 32.500 0.020 0.000 1.189 1138 K HN 0.173 nan 8.250 nan 0.000 0.428 1139 D N 0.491 120.910 120.400 0.032 0.000 2.326 1139 D HA 0.316 4.966 4.640 0.017 0.000 0.248 1139 D C -0.327 176.024 176.300 0.084 0.000 1.001 1139 D CA -0.623 53.418 54.000 0.068 0.000 0.961 1139 D CB 1.848 42.680 40.800 0.053 0.000 1.183 1139 D HN -0.007 nan 8.370 nan 0.000 0.502 1140 V N 1.502 121.493 119.914 0.129 0.000 2.432 1140 V HA 0.209 4.339 4.120 0.017 0.000 0.275 1140 V C 0.237 176.320 176.094 -0.018 0.000 1.043 1140 V CA -0.303 62.051 62.300 0.091 0.000 0.925 1140 V CB 1.089 33.030 31.823 0.198 0.000 0.985 1140 V HN 0.396 nan 8.190 nan 0.000 0.466 1141 Q N 3.487 123.118 119.800 -0.282 0.000 2.297 1141 Q HA 0.740 5.090 4.340 0.017 0.000 0.268 1141 Q C -1.346 174.366 176.000 -0.479 0.000 1.045 1141 Q CA -0.592 54.955 55.803 -0.427 0.000 0.861 1141 Q CB 2.017 30.349 28.738 -0.677 0.000 1.344 1141 Q HN 0.679 nan 8.270 nan 0.000 0.452 1142 L N 2.120 123.212 121.223 -0.217 0.000 2.346 1142 L HA 0.497 4.847 4.340 0.017 0.000 0.276 1142 L C 0.411 177.275 176.870 -0.010 0.000 1.006 1142 L CA -0.290 54.486 54.840 -0.108 0.000 0.817 1142 L CB 1.400 43.363 42.059 -0.159 0.000 1.272 1142 L HN 0.750 nan 8.230 nan 0.000 0.421 1143 K N 2.952 123.306 120.400 -0.078 0.000 1.991 1143 K HA 0.056 4.385 4.320 0.017 0.000 0.212 1143 K C -0.100 176.423 176.600 -0.128 0.000 1.049 1143 K CA 1.602 57.772 56.287 -0.195 0.000 0.932 1143 K CB 0.091 32.214 32.500 -0.628 0.000 0.717 1143 K HN 0.735 nan 8.250 nan 0.000 0.441 1144 N N -1.540 117.066 118.700 -0.157 0.000 3.265 1144 N HA 0.134 4.884 4.740 0.017 0.000 0.235 1144 N C -1.424 173.967 175.510 -0.199 0.000 1.343 1144 N CA -0.588 52.369 53.050 -0.154 0.000 0.904 1144 N CB 0.728 39.156 38.487 -0.099 0.000 1.492 1144 N HN -0.087 nan 8.380 nan 0.000 0.504 1145 I N 1.181 121.595 120.570 -0.260 0.000 2.845 1145 I HA -0.029 4.151 4.170 0.017 0.000 0.296 1145 I C 1.818 177.824 176.117 -0.185 0.000 1.216 1145 I CA 1.294 62.407 61.300 -0.312 0.000 1.438 1145 I CB -0.233 37.550 38.000 -0.363 0.000 1.342 1145 I HN 0.811 nan 8.210 nan 0.000 0.577 1146 T N 0.428 114.896 114.554 -0.145 0.000 7.113 1146 T HA -0.198 4.162 4.350 0.017 0.000 0.290 1146 T C 0.377 175.122 174.700 0.075 0.000 2.138 1146 T CA 1.477 63.558 62.100 -0.032 0.000 3.555 1146 T CB -0.865 67.957 68.868 -0.078 0.000 1.347 1146 T HN 0.850 nan 8.240 nan 0.000 0.958 1147 D N -1.090 119.324 120.400 0.023 0.000 2.570 1147 D HA 0.561 5.211 4.640 0.017 0.000 0.266 1147 D C 0.316 176.690 176.300 0.124 0.000 1.182 1147 D CA -0.254 53.798 54.000 0.087 0.000 1.088 1147 D CB 0.372 41.184 40.800 0.020 0.000 1.186 1147 D HN 0.476 nan 8.370 nan 0.000 0.618 1148 Y N -0.519 119.834 120.300 0.087 0.000 2.340 1148 Y HA 0.597 5.167 4.550 0.032 0.000 0.327 1148 Y C -0.106 175.909 175.900 0.192 0.000 1.321 1148 Y CA -0.849 57.329 58.100 0.130 0.000 1.433 1148 Y CB 0.379 38.919 38.460 0.134 0.000 1.373 1148 Y HN 0.081 nan 8.280 nan 0.000 0.538 1149 M N 2.097 121.929 119.600 0.388 0.000 2.528 1149 M HA 0.450 4.940 4.480 0.017 0.000 0.321 1149 M C -1.638 174.965 176.300 0.505 0.000 1.153 1149 M CA -0.826 54.644 55.300 0.283 0.000 0.951 1149 M CB 2.212 34.930 32.600 0.197 0.000 1.705 1149 M HN 0.826 nan 8.290 nan 0.000 0.451 1150 Y N -0.307 120.125 120.300 0.221 0.000 2.625 1150 Y HA 0.718 5.277 4.550 0.015 0.000 0.338 1150 Y C -1.822 174.196 175.900 0.196 0.000 1.123 1150 Y CA -1.596 56.657 58.100 0.255 0.000 1.046 1150 Y CB 0.873 39.519 38.460 0.309 0.000 1.299 1150 Y HN 0.497 nan 8.280 nan 0.000 0.464 1151 L N 3.036 124.414 121.223 0.259 0.000 2.331 1151 L HA 0.595 4.944 4.340 0.017 0.000 0.278 1151 L C 0.027 176.992 176.870 0.159 0.000 1.106 1151 L CA -0.329 54.604 54.840 0.156 0.000 0.824 1151 L CB 1.307 43.461 42.059 0.159 0.000 1.142 1151 L HN 0.983 nan 8.230 nan 0.000 0.443 1152 T N -1.076 113.523 114.554 0.074 0.000 2.906 1152 T HA 0.399 4.759 4.350 0.017 0.000 0.295 1152 T C -0.253 174.481 174.700 0.056 0.000 1.075 1152 T CA -1.114 61.044 62.100 0.097 0.000 1.005 1152 T CB 1.567 70.483 68.868 0.082 0.000 1.136 1152 T HN 0.296 nan 8.240 nan 0.000 0.498 1153 N N 1.195 119.926 118.700 0.052 0.000 2.483 1153 N HA 0.508 5.258 4.740 0.017 0.000 0.264 1153 N C 0.120 175.639 175.510 0.015 0.000 1.197 1153 N CA -0.098 52.966 53.050 0.023 0.000 0.927 1153 N CB 0.683 39.183 38.487 0.021 0.000 1.065 1153 N HN 0.975 nan 8.380 nan 0.000 0.461 1154 A N 3.435 126.252 122.820 -0.006 0.000 2.304 1154 A HA 0.499 4.828 4.320 0.017 0.000 0.271 1154 A C -2.038 175.550 177.584 0.006 0.000 1.091 1154 A CA -1.026 51.007 52.037 -0.007 0.000 0.812 1154 A CB -0.235 18.741 19.000 -0.039 0.000 1.056 1154 A HN 0.496 nan 8.150 nan 0.000 0.489 1155 P HA 0.275 nan 4.420 nan 0.000 0.275 1155 P C -0.340 176.990 177.300 0.049 0.000 1.227 1155 P CA -0.060 63.060 63.100 0.033 0.000 0.781 1155 P CB 1.129 32.853 31.700 0.040 0.000 0.906 1156 S N 2.207 117.936 115.700 0.049 0.000 2.607 1156 S HA 0.618 5.098 4.470 0.017 0.000 0.303 1156 S C -1.450 173.194 174.600 0.073 0.000 1.086 1156 S CA -0.618 57.619 58.200 0.062 0.000 0.995 1156 S CB 1.213 64.434 63.200 0.036 0.000 1.084 1156 S HN 0.395 nan 8.310 nan 0.000 0.507 1157 Y N 2.004 122.201 120.300 -0.172 0.000 2.338 1157 Y HA 0.570 5.130 4.550 0.016 0.000 0.333 1157 Y C -0.157 175.611 175.900 -0.219 0.000 0.968 1157 Y CA -0.263 57.672 58.100 -0.274 0.000 1.123 1157 Y CB 1.609 39.713 38.460 -0.593 0.000 1.165 1157 Y HN 1.089 nan 8.280 nan 0.000 0.452 1158 T N 3.016 117.256 114.554 -0.524 0.000 2.930 1158 T HA 0.566 4.926 4.350 0.017 0.000 0.290 1158 T C -1.327 172.999 174.700 -0.623 0.000 1.052 1158 T CA -0.879 60.964 62.100 -0.429 0.000 1.017 1158 T CB 1.886 70.629 68.868 -0.209 0.000 1.137 1158 T HN 0.635 nan 8.240 nan 0.000 0.511 1159 N N -0.207 118.273 118.700 -0.366 0.000 2.503 1159 N HA 0.338 5.088 4.740 0.017 0.000 0.287 1159 N C 0.755 176.197 175.510 -0.113 0.000 1.096 1159 N CA -0.117 52.774 53.050 -0.265 0.000 0.936 1159 N CB 1.863 40.189 38.487 -0.269 0.000 1.570 1159 N HN 0.884 nan 8.380 nan 0.000 0.504 1160 G N 2.457 111.208 108.800 -0.081 0.000 2.456 1160 G HA2 -0.139 3.831 3.960 0.017 0.000 0.213 1160 G HA3 -0.139 3.831 3.960 0.017 0.000 0.213 1160 G C 1.046 175.932 174.900 -0.022 0.000 1.215 1160 G CA 0.583 45.659 45.100 -0.040 0.000 0.805 1160 G HN 0.500 nan 8.290 nan 0.000 0.537 1161 K N 0.321 120.706 120.400 -0.025 0.000 2.286 1161 K HA 0.058 4.388 4.320 0.017 0.000 0.203 1161 K C 2.079 178.676 176.600 -0.006 0.000 1.045 1161 K CA 0.576 56.855 56.287 -0.013 0.000 0.935 1161 K CB -0.405 32.087 32.500 -0.013 0.000 0.737 1161 K HN 0.353 nan 8.250 nan 0.000 0.460 1162 L N -0.329 120.890 121.223 -0.007 0.000 2.607 1162 L HA 0.111 4.461 4.340 0.017 0.000 0.228 1162 L C 0.040 176.917 176.870 0.013 0.000 1.123 1162 L CA -0.271 54.573 54.840 0.007 0.000 0.890 1162 L CB -0.421 41.648 42.059 0.017 0.000 1.103 1162 L HN 0.254 nan 8.230 nan 0.000 0.468 1163 N N 1.833 120.542 118.700 0.015 0.000 2.696 1163 N HA -0.234 4.516 4.740 0.017 0.000 0.256 1163 N C -0.663 174.876 175.510 0.048 0.000 1.031 1163 N CA 0.690 53.761 53.050 0.036 0.000 0.730 1163 N CB -1.011 37.490 38.487 0.025 0.000 0.894 1163 N HN 0.573 nan 8.380 nan 0.000 0.544 1164 I N -1.467 119.140 120.570 0.062 0.000 2.752 1164 I HA 0.787 4.967 4.170 0.017 0.000 0.295 1164 I C -1.134 175.063 176.117 0.132 0.000 1.219 1164 I CA -1.104 60.238 61.300 0.071 0.000 1.030 1164 I CB 1.985 40.036 38.000 0.086 0.000 1.259 1164 I HN 0.142 nan 8.210 nan 0.000 0.423 1165 Y N 3.813 124.171 120.300 0.097 0.000 2.552 1165 Y HA 0.830 5.389 4.550 0.016 0.000 0.337 1165 Y C -1.953 174.112 175.900 0.275 0.000 1.094 1165 Y CA -1.274 56.850 58.100 0.040 0.000 1.028 1165 Y CB 1.223 39.673 38.460 -0.016 0.000 1.321 1165 Y HN 0.789 nan 8.280 nan 0.000 0.456 1166 Y N 0.036 120.571 120.300 0.391 0.000 2.581 1166 Y HA 0.742 5.302 4.550 0.016 0.000 0.337 1166 Y C -0.930 175.188 175.900 0.363 0.000 1.108 1166 Y CA -2.028 56.320 58.100 0.413 0.000 1.033 1166 Y CB 1.100 39.886 38.460 0.543 0.000 1.318 1166 Y HN 0.824 nan 8.280 nan 0.000 0.459 1167 R N 1.148 121.890 120.500 0.403 0.000 2.590 1167 R HA 0.468 4.818 4.340 0.017 0.000 0.274 1167 R C -0.738 175.767 176.300 0.342 0.000 1.061 1167 R CA -0.563 55.651 56.100 0.191 0.000 1.081 1167 R CB 0.507 30.769 30.300 -0.063 0.000 0.984 1167 R HN 0.785 nan 8.270 nan 0.000 0.448 1168 R N 1.754 122.386 120.500 0.219 0.000 2.583 1168 R HA 0.442 4.791 4.340 0.017 0.000 0.268 1168 R C -0.164 176.144 176.300 0.015 0.000 1.101 1168 R CA -0.620 55.637 56.100 0.261 0.000 1.180 1168 R CB 0.447 30.843 30.300 0.159 0.000 1.128 1168 R HN 0.453 nan 8.270 nan 0.000 0.568 1169 L N 0.485 121.609 121.223 -0.165 0.000 2.309 1169 L HA 0.391 4.741 4.340 0.017 0.000 0.261 1169 L C -0.817 175.672 176.870 -0.635 0.000 1.021 1169 L CA -0.935 53.538 54.840 -0.611 0.000 0.823 1169 L CB 1.151 42.470 42.059 -1.234 0.000 1.366 1169 L HN 0.640 nan 8.230 nan 0.000 0.423 1170 Y N -0.785 119.177 120.300 -0.564 0.000 4.782 1170 Y HA -0.210 4.350 4.550 0.016 0.000 0.249 1170 Y C -0.266 175.204 175.900 -0.717 0.000 1.043 1170 Y CA -0.418 57.114 58.100 -0.947 0.000 2.093 1170 Y CB -2.640 35.627 38.460 -0.322 0.000 1.576 1170 Y HN 0.717 nan 8.280 nan 0.000 0.686 1171 N N -0.020 118.464 118.700 -0.360 0.000 2.405 1171 N HA 0.735 5.485 4.740 0.017 0.000 0.285 1171 N C 0.497 176.088 175.510 0.136 0.000 1.262 1171 N CA -0.375 52.663 53.050 -0.020 0.000 0.773 1171 N CB 2.901 41.404 38.487 0.027 0.000 1.490 1171 N HN 0.451 nan 8.380 nan 0.000 0.486 1172 G N -0.078 108.866 108.800 0.239 0.000 2.483 1172 G HA2 -0.109 3.861 3.960 0.017 0.000 0.521 1172 G HA3 -0.109 3.861 3.960 0.017 0.000 0.521 1172 G C -1.098 174.000 174.900 0.330 0.000 1.278 1172 G CA -0.996 44.251 45.100 0.244 0.000 0.965 1172 G HN 0.419 nan 8.290 nan 0.000 0.504 1173 L N 0.557 121.924 121.223 0.239 0.000 2.416 1173 L HA 0.335 4.685 4.340 0.017 0.000 0.272 1173 L C 0.875 177.747 176.870 0.003 0.000 1.161 1173 L CA -0.126 54.755 54.840 0.068 0.000 0.845 1173 L CB 0.573 42.517 42.059 -0.192 0.000 1.119 1173 L HN 0.542 nan 8.230 nan 0.000 0.464 1174 K N 3.234 123.502 120.400 -0.219 0.000 2.143 1174 K HA 0.613 4.943 4.320 0.017 0.000 0.272 1174 K C -1.084 175.404 176.600 -0.186 0.000 1.001 1174 K CA -0.445 55.637 56.287 -0.341 0.000 0.915 1174 K CB 1.070 33.308 32.500 -0.436 0.000 1.047 1174 K HN 0.122 nan 8.250 nan 0.000 0.458 1175 F N 1.241 121.144 119.950 -0.079 0.000 2.613 1175 F HA 0.615 5.151 4.527 0.015 0.000 0.342 1175 F C 0.073 175.940 175.800 0.111 0.000 1.066 1175 F CA -1.236 56.799 58.000 0.058 0.000 1.002 1175 F CB 1.102 40.158 39.000 0.094 0.000 1.319 1175 F HN 0.236 nan 8.300 nan 0.000 0.495 1176 I N 1.996 122.804 120.570 0.396 0.000 2.692 1176 I HA 0.366 4.545 4.170 0.017 0.000 0.293 1176 I C -1.133 175.221 176.117 0.395 0.000 1.200 1176 I CA -0.573 60.908 61.300 0.302 0.000 1.036 1176 I CB 2.473 40.562 38.000 0.149 0.000 1.258 1176 I HN 0.326 nan 8.210 nan 0.000 0.421 1177 I N 4.954 125.752 120.570 0.380 0.000 2.428 1177 I HA 0.441 4.621 4.170 0.017 0.000 0.296 1177 I C -0.246 176.200 176.117 0.549 0.000 0.985 1177 I CA -0.602 60.949 61.300 0.417 0.000 1.260 1177 I CB 1.496 39.636 38.000 0.233 0.000 1.389 1177 I HN 0.447 nan 8.210 nan 0.000 0.484 1178 K N 4.687 125.412 120.400 0.541 0.000 2.477 1178 K HA 0.525 4.855 4.320 0.017 0.000 0.255 1178 K C -0.962 175.753 176.600 0.192 0.000 0.952 1178 K CA -0.998 55.482 56.287 0.322 0.000 0.826 1178 K CB 2.599 35.243 32.500 0.240 0.000 1.331 1178 K HN 0.478 nan 8.250 nan 0.000 0.437 1179 R N 1.181 121.549 120.500 -0.220 0.000 2.539 1179 R HA 0.046 4.396 4.340 0.017 0.000 0.275 1179 R C 0.702 177.065 176.300 0.105 0.000 1.077 1179 R CA -0.089 55.946 56.100 -0.108 0.000 1.097 1179 R CB 0.229 30.356 30.300 -0.288 0.000 1.018 1179 R HN 0.599 nan 8.270 nan 0.000 0.483 1180 Y N 2.071 122.428 120.300 0.095 0.000 2.073 1180 Y HA -0.194 4.367 4.550 0.017 0.000 0.257 1180 Y C 0.819 176.745 175.900 0.042 0.000 1.093 1180 Y CA 1.750 59.905 58.100 0.091 0.000 1.076 1180 Y CB -0.017 38.503 38.460 0.101 0.000 0.984 1180 Y HN 0.437 nan 8.280 nan 0.000 0.478 1181 T N 2.716 117.352 114.554 0.137 0.000 2.743 1181 T HA 0.250 4.610 4.350 0.017 0.000 0.293 1181 T C -1.864 172.837 174.700 0.002 0.000 0.945 1181 T CA -0.970 61.139 62.100 0.014 0.000 1.030 1181 T CB 1.505 70.401 68.868 0.046 0.000 0.912 1181 T HN 0.351 nan 8.240 nan 0.000 0.483 1182 P HA 0.175 nan 4.420 nan 0.000 0.214 1182 P C 1.355 178.616 177.300 -0.064 0.000 1.077 1182 P CA 0.014 63.070 63.100 -0.074 0.000 0.996 1182 P CB 0.381 32.028 31.700 -0.089 0.000 0.877 1183 N N 0.661 119.333 118.700 -0.047 0.000 2.021 1183 N HA -0.177 4.573 4.740 0.017 0.000 0.198 1183 N C 1.555 177.048 175.510 -0.029 0.000 1.041 1183 N CA 1.565 54.591 53.050 -0.040 0.000 0.862 1183 N CB -0.638 37.830 38.487 -0.032 0.000 1.048 1183 N HN 0.228 nan 8.380 nan 0.000 0.427 1184 N N 0.179 118.868 118.700 -0.017 0.000 2.405 1184 N HA -0.051 4.699 4.740 0.017 0.000 0.175 1184 N C 0.187 175.698 175.510 0.002 0.000 1.051 1184 N CA -0.166 52.879 53.050 -0.007 0.000 0.899 1184 N CB 0.565 39.050 38.487 -0.003 0.000 1.000 1184 N HN 0.488 nan 8.380 nan 0.000 0.451 1185 E N 1.360 121.562 120.200 0.003 0.000 2.351 1185 E HA 0.044 4.404 4.350 0.017 0.000 0.255 1185 E C 0.802 177.422 176.600 0.033 0.000 1.188 1185 E CA -0.464 55.947 56.400 0.019 0.000 0.940 1185 E CB 0.607 30.320 29.700 0.021 0.000 1.094 1185 E HN 0.050 nan 8.360 nan 0.000 0.474 1186 I N -0.593 120.012 120.570 0.057 0.000 3.889 1186 I HA 0.326 4.505 4.170 0.017 0.000 0.332 1186 I C -0.469 175.740 176.117 0.154 0.000 1.493 1186 I CA -0.068 61.285 61.300 0.087 0.000 1.158 1186 I CB -0.448 37.602 38.000 0.083 0.000 1.117 1186 I HN 0.371 nan 8.210 nan 0.000 0.411 1187 D N 1.437 121.944 120.400 0.178 0.000 2.392 1187 D HA 0.260 4.910 4.640 0.017 0.000 0.228 1187 D C 0.319 176.833 176.300 0.358 0.000 1.074 1187 D CA -0.011 54.182 54.000 0.321 0.000 0.838 1187 D CB 1.848 42.789 40.800 0.235 0.000 1.067 1187 D HN 0.035 nan 8.370 nan 0.000 0.511 1188 S N 2.826 118.732 115.700 0.343 0.000 2.671 1188 S HA 0.123 4.603 4.470 0.017 0.000 0.220 1188 S C -0.041 174.584 174.600 0.040 0.000 0.951 1188 S CA -0.260 58.015 58.200 0.126 0.000 0.932 1188 S CB -0.191 62.949 63.200 -0.100 0.000 0.777 1188 S HN 0.310 nan 8.310 nan 0.000 0.508 1189 F N 1.012 121.088 119.950 0.209 0.000 2.415 1189 F HA 0.398 4.935 4.527 0.016 0.000 0.348 1189 F C 0.178 175.980 175.800 0.004 0.000 1.119 1189 F CA -1.208 56.862 58.000 0.116 0.000 1.069 1189 F CB 0.787 39.908 39.000 0.203 0.000 1.124 1189 F HN -0.292 nan 8.300 nan 0.000 0.472 1190 V N 4.644 124.521 119.914 -0.062 0.000 2.470 1190 V HA 0.113 4.243 4.120 0.017 0.000 0.276 1190 V C 0.210 176.213 176.094 -0.152 0.000 1.040 1190 V CA -0.772 61.381 62.300 -0.245 0.000 1.008 1190 V CB 0.163 31.684 31.823 -0.502 0.000 0.990 1190 V HN 0.606 nan 8.190 nan 0.000 0.477 1191 K N 3.110 123.422 120.400 -0.147 0.000 2.172 1191 K HA 0.358 4.688 4.320 0.017 0.000 0.276 1191 K C 0.292 176.780 176.600 -0.188 0.000 1.013 1191 K CA -0.271 55.861 56.287 -0.259 0.000 0.913 1191 K CB 1.432 33.777 32.500 -0.257 0.000 1.055 1191 K HN 0.606 nan 8.250 nan 0.000 0.461 1192 S N 1.148 116.742 115.700 -0.177 0.000 2.525 1192 S HA 0.249 4.728 4.470 0.017 0.000 0.285 1192 S C 1.070 175.581 174.600 -0.147 0.000 1.283 1192 S CA 1.060 59.180 58.200 -0.134 0.000 1.072 1192 S CB -0.311 62.836 63.200 -0.088 0.000 0.867 1192 S HN 0.877 nan 8.310 nan 0.000 0.492 1193 G N 3.898 112.589 108.800 -0.182 0.000 2.184 1193 G HA2 -0.163 3.807 3.960 0.017 0.000 0.206 1193 G HA3 -0.163 3.807 3.960 0.017 0.000 0.206 1193 G C -0.364 174.284 174.900 -0.420 0.000 0.995 1193 G CA -0.076 44.868 45.100 -0.261 0.000 0.651 1193 G HN 0.686 nan 8.290 nan 0.000 0.511 1194 D N -0.005 120.217 120.400 -0.296 0.000 2.341 1194 D HA 0.580 5.230 4.640 0.017 0.000 0.245 1194 D C 0.098 176.207 176.300 -0.317 0.000 1.106 1194 D CA 0.172 54.045 54.000 -0.212 0.000 0.905 1194 D CB 0.403 41.211 40.800 0.014 0.000 1.202 1194 D HN 0.054 nan 8.370 nan 0.000 0.426 1195 F N 1.709 121.703 119.950 0.073 0.000 2.415 1195 F HA 0.407 4.943 4.527 0.015 0.000 0.348 1195 F C 0.696 176.600 175.800 0.173 0.000 1.119 1195 F CA -0.835 57.197 58.000 0.053 0.000 1.069 1195 F CB 0.572 39.520 39.000 -0.086 0.000 1.124 1195 F HN 0.152 nan 8.300 nan 0.000 0.472 1196 I N -0.385 120.404 120.570 0.366 0.000 3.206 1196 I HA 0.665 4.845 4.170 0.017 0.000 0.313 1196 I C -1.407 174.949 176.117 0.398 0.000 1.103 1196 I CA -1.216 60.319 61.300 0.393 0.000 0.985 1196 I CB 2.625 40.840 38.000 0.358 0.000 1.240 1196 I HN 0.353 nan 8.210 nan 0.000 0.464 1197 K N 2.470 123.098 120.400 0.380 0.000 2.323 1197 K HA 0.556 4.886 4.320 0.017 0.000 0.259 1197 K C -1.457 175.303 176.600 0.267 0.000 0.947 1197 K CA -0.705 55.753 56.287 0.286 0.000 0.819 1197 K CB 2.575 35.238 32.500 0.271 0.000 1.109 1197 K HN 0.446 nan 8.250 nan 0.000 0.429 1198 L N 3.545 124.860 121.223 0.153 0.000 2.295 1198 L HA 0.443 4.793 4.340 0.017 0.000 0.285 1198 L C -1.477 175.461 176.870 0.113 0.000 1.035 1198 L CA -0.189 54.790 54.840 0.231 0.000 0.806 1198 L CB 0.466 42.663 42.059 0.230 0.000 1.214 1198 L HN 0.474 nan 8.230 nan 0.000 0.426 1199 Y N 2.746 123.187 120.300 0.236 0.000 2.570 1199 Y HA 0.671 5.232 4.550 0.019 0.000 0.345 1199 Y C -0.455 175.470 175.900 0.041 0.000 1.014 1199 Y CA -0.853 57.327 58.100 0.133 0.000 1.063 1199 Y CB 2.187 40.691 38.460 0.075 0.000 1.272 1199 Y HN 0.229 nan 8.280 nan 0.000 0.477 1200 V N 1.277 121.250 119.914 0.099 0.000 2.435 1200 V HA 0.400 4.530 4.120 0.017 0.000 0.290 1200 V C -0.428 175.647 176.094 -0.033 0.000 1.030 1200 V CA -0.689 61.509 62.300 -0.170 0.000 0.881 1200 V CB 1.665 33.346 31.823 -0.235 0.000 0.983 1200 V HN 0.736 nan 8.190 nan 0.000 0.445 1201 S N 4.194 119.852 115.700 -0.071 0.000 2.438 1201 S HA 0.629 5.109 4.470 0.017 0.000 0.316 1201 S C -1.256 173.376 174.600 0.052 0.000 1.084 1201 S CA -0.298 57.879 58.200 -0.038 0.000 1.107 1201 S CB 0.060 63.217 63.200 -0.072 0.000 0.981 1201 S HN 0.635 nan 8.310 nan 0.000 0.466 1202 Y N 5.226 125.486 120.300 -0.066 0.000 2.379 1202 Y HA 0.281 4.842 4.550 0.018 0.000 0.342 1202 Y C -0.123 175.789 175.900 0.020 0.000 1.126 1202 Y CA -0.482 57.620 58.100 0.004 0.000 1.310 1202 Y CB 0.298 38.810 38.460 0.087 0.000 1.115 1202 Y HN 0.839 nan 8.280 nan 0.000 0.505 1203 N N 3.860 122.542 118.700 -0.030 0.000 2.861 1203 N HA -0.268 4.482 4.740 0.017 0.000 0.247 1203 N C 0.321 175.832 175.510 0.002 0.000 1.117 1203 N CA 1.221 54.269 53.050 -0.004 0.000 0.703 1203 N CB -1.478 37.052 38.487 0.072 0.000 1.052 1203 N HN 0.987 nan 8.380 nan 0.000 0.555 1204 N N -1.878 116.803 118.700 -0.032 0.000 2.967 1204 N HA -0.190 4.560 4.740 0.017 0.000 0.212 1204 N C -0.911 174.549 175.510 -0.084 0.000 0.884 1204 N CA 1.082 54.101 53.050 -0.052 0.000 1.030 1204 N CB -0.704 37.761 38.487 -0.036 0.000 1.018 1204 N HN 0.498 nan 8.380 nan 0.000 0.596 1205 N N 1.413 120.049 118.700 -0.107 0.000 2.495 1205 N HA 0.200 4.950 4.740 0.017 0.000 0.280 1205 N C -0.714 174.566 175.510 -0.383 0.000 1.168 1205 N CA 0.227 53.130 53.050 -0.245 0.000 0.978 1205 N CB 0.857 39.155 38.487 -0.315 0.000 1.191 1205 N HN 0.191 nan 8.380 nan 0.000 0.497 1206 E N 0.574 120.543 120.200 -0.385 0.000 2.141 1206 E HA 0.203 4.563 4.350 0.017 0.000 0.259 1206 E C -1.158 175.404 176.600 -0.062 0.000 0.883 1206 E CA -0.374 55.877 56.400 -0.247 0.000 0.744 1206 E CB 0.703 30.168 29.700 -0.392 0.000 1.150 1206 E HN 0.476 nan 8.360 nan 0.000 0.420 1207 H N 2.433 121.661 119.070 0.263 0.000 2.581 1207 H HA 0.262 4.828 4.556 0.017 0.000 0.308 1207 H C -0.020 175.397 175.328 0.148 0.000 1.040 1207 H CA -0.718 55.439 56.048 0.182 0.000 1.231 1207 H CB 1.014 30.802 29.762 0.044 0.000 1.396 1207 H HN 0.433 nan 8.280 nan 0.000 0.467 1208 I N 3.516 124.141 120.570 0.092 0.000 2.813 1208 I HA -0.017 4.163 4.170 0.017 0.000 0.287 1208 I C -0.363 175.707 176.117 -0.079 0.000 1.196 1208 I CA -0.114 60.968 61.300 -0.364 0.000 1.421 1208 I CB 0.435 38.135 38.000 -0.499 0.000 1.365 1208 I HN 0.316 nan 8.210 nan 0.000 0.591 1209 V N 6.980 126.856 119.914 -0.064 0.000 2.439 1209 V HA 0.806 4.936 4.120 0.017 0.000 0.282 1209 V C 0.537 176.671 176.094 0.067 0.000 1.039 1209 V CA 0.155 62.486 62.300 0.052 0.000 0.913 1209 V CB 0.701 32.596 31.823 0.120 0.000 0.983 1209 V HN 0.996 nan 8.190 nan 0.000 0.460 1210 G N 2.823 111.680 108.800 0.095 0.000 2.606 1210 G HA2 0.502 4.472 3.960 0.017 0.000 0.300 1210 G HA3 0.502 4.472 3.960 0.017 0.000 0.300 1210 G C -2.367 172.623 174.900 0.150 0.000 1.360 1210 G CA -0.523 44.654 45.100 0.127 0.000 0.783 1210 G HN 0.476 nan 8.290 nan 0.000 0.484 1211 Y N 1.591 121.910 120.300 0.032 0.000 2.331 1211 Y HA 0.652 5.216 4.550 0.022 0.000 0.334 1211 Y C -2.430 173.424 175.900 -0.078 0.000 0.960 1211 Y CA -2.708 55.379 58.100 -0.022 0.000 1.130 1211 Y CB 2.625 41.121 38.460 0.060 0.000 1.164 1211 Y HN 0.345 nan 8.280 nan 0.000 0.458 1212 P HA 0.132 nan 4.420 nan 0.000 0.279 1212 P C -0.971 175.803 177.300 -0.876 0.000 1.239 1212 P CA -0.493 62.107 63.100 -0.834 0.000 0.789 1212 P CB 0.931 31.933 31.700 -1.162 0.000 0.933 1213 K N 2.552 122.638 120.400 -0.524 0.000 2.504 1213 K HA -0.129 4.201 4.320 0.017 0.000 0.278 1213 K C -0.020 176.427 176.600 -0.255 0.000 1.025 1213 K CA 0.798 56.961 56.287 -0.208 0.000 1.093 1213 K CB -0.426 32.020 32.500 -0.091 0.000 0.873 1213 K HN 0.477 nan 8.250 nan 0.000 0.483 1214 D N 1.090 121.408 120.400 -0.137 0.000 3.076 1214 D HA -0.142 4.508 4.640 0.017 0.000 0.218 1214 D C 0.247 176.458 176.300 -0.149 0.000 1.156 1214 D CA 1.428 55.386 54.000 -0.070 0.000 0.921 1214 D CB -1.463 39.314 40.800 -0.039 0.000 1.113 1214 D HN 0.770 nan 8.370 nan 0.000 0.418 1215 G N 0.789 109.335 108.800 -0.423 0.000 2.544 1215 G HA2 0.309 4.279 3.960 0.017 0.000 0.242 1215 G HA3 0.309 4.279 3.960 0.017 0.000 0.242 1215 G C 0.755 175.660 174.900 0.008 0.000 1.247 1215 G CA -0.181 44.733 45.100 -0.310 0.000 0.840 1215 G HN 0.260 nan 8.290 nan 0.000 0.578 1216 N N -0.288 118.391 118.700 -0.034 0.000 2.381 1216 N HA 0.416 5.166 4.740 0.017 0.000 0.241 1216 N C -0.378 175.078 175.510 -0.089 0.000 1.279 1216 N CA 0.296 53.304 53.050 -0.070 0.000 0.896 1216 N CB 1.147 39.538 38.487 -0.160 0.000 1.118 1216 N HN 0.836 nan 8.380 nan 0.000 0.438 1217 A N 0.444 123.137 122.820 -0.212 0.000 2.491 1217 A HA 0.484 4.814 4.320 0.017 0.000 0.293 1217 A C -1.094 176.294 177.584 -0.327 0.000 1.047 1217 A CA -0.890 50.975 52.037 -0.286 0.000 0.735 1217 A CB 0.286 19.194 19.000 -0.154 0.000 1.281 1217 A HN 0.483 nan 8.150 nan 0.000 0.398 1218 F N 2.688 122.523 119.950 -0.190 0.000 2.608 1218 F HA 0.110 4.624 4.527 -0.022 0.000 0.380 1218 F C 1.633 177.305 175.800 -0.213 0.000 1.083 1218 F CA 1.127 58.986 58.000 -0.234 0.000 1.266 1218 F CB 0.296 39.035 39.000 -0.436 0.000 1.076 1218 F HN 0.755 nan 8.300 nan 0.000 0.574 1219 N N 2.605 121.318 118.700 0.023 0.000 2.708 1219 N HA -0.362 4.388 4.740 0.017 0.000 0.251 1219 N C 0.531 176.027 175.510 -0.022 0.000 1.123 1219 N CA 1.319 54.366 53.050 -0.005 0.000 0.739 1219 N CB -1.076 37.398 38.487 -0.021 0.000 1.113 1219 N HN 0.993 nan 8.380 nan 0.000 0.561 1220 N N -1.964 116.715 118.700 -0.036 0.000 2.965 1220 N HA -0.245 4.505 4.740 0.017 0.000 0.232 1220 N C 0.398 175.880 175.510 -0.045 0.000 0.913 1220 N CA 1.335 54.369 53.050 -0.028 0.000 0.981 1220 N CB -0.779 37.704 38.487 -0.008 0.000 1.077 1220 N HN 0.361 nan 8.380 nan 0.000 0.589 1221 L N -0.707 120.473 121.223 -0.072 0.000 2.885 1221 L HA 0.223 4.573 4.340 0.017 0.000 0.251 1221 L C -0.642 176.162 176.870 -0.111 0.000 1.071 1221 L CA -0.017 54.778 54.840 -0.074 0.000 0.956 1221 L CB 0.408 42.447 42.059 -0.032 0.000 1.483 1221 L HN -0.068 nan 8.230 nan 0.000 0.525 1222 D N 2.264 122.584 120.400 -0.134 0.000 2.479 1222 D HA 0.200 4.850 4.640 0.017 0.000 0.218 1222 D C -0.213 175.996 176.300 -0.152 0.000 1.131 1222 D CA -0.063 53.863 54.000 -0.123 0.000 0.916 1222 D CB 0.496 41.179 40.800 -0.196 0.000 1.022 1222 D HN 0.027 nan 8.370 nan 0.000 0.515 1223 R N 2.140 122.481 120.500 -0.264 0.000 2.296 1223 R HA 0.305 4.655 4.340 0.017 0.000 0.323 1223 R C 0.466 176.640 176.300 -0.210 0.000 1.067 1223 R CA -0.384 55.410 56.100 -0.510 0.000 0.946 1223 R CB 0.927 30.520 30.300 -1.177 0.000 0.991 1223 R HN 0.338 nan 8.270 nan 0.000 0.448 1224 I N 5.043 125.564 120.570 -0.081 0.000 2.517 1224 I HA -0.034 4.145 4.170 0.017 0.000 0.285 1224 I C 0.738 176.951 176.117 0.160 0.000 1.106 1224 I CA 0.096 61.412 61.300 0.027 0.000 1.402 1224 I CB 0.301 38.240 38.000 -0.102 0.000 1.399 1224 I HN 0.377 nan 8.210 nan 0.000 0.535 1225 L N 7.435 128.758 121.223 0.167 0.000 2.464 1225 L HA 0.323 4.673 4.340 0.017 0.000 0.264 1225 L C 0.252 177.223 176.870 0.168 0.000 1.199 1225 L CA -0.299 54.648 54.840 0.178 0.000 0.818 1225 L CB 0.222 42.376 42.059 0.160 0.000 1.102 1225 L HN 0.537 nan 8.230 nan 0.000 0.473 1226 R N 1.530 122.108 120.500 0.130 0.000 2.621 1226 R HA 0.479 4.829 4.340 0.017 0.000 0.284 1226 R C -1.424 174.935 176.300 0.099 0.000 0.998 1226 R CA -0.770 55.397 56.100 0.110 0.000 0.895 1226 R CB 1.960 32.289 30.300 0.048 0.000 1.195 1226 R HN 0.248 nan 8.270 nan 0.000 0.450 1227 V N 1.750 121.708 119.914 0.073 0.000 2.328 1227 V HA 0.403 4.533 4.120 0.017 0.000 0.278 1227 V C 1.158 177.248 176.094 -0.006 0.000 1.021 1227 V CA 0.395 62.712 62.300 0.029 0.000 0.838 1227 V CB 1.030 32.830 31.823 -0.038 0.000 0.999 1227 V HN 1.058 nan 8.190 nan 0.000 0.447 1228 G N 4.179 113.007 108.800 0.046 0.000 2.157 1228 G HA2 -0.326 3.644 3.960 0.017 0.000 0.248 1228 G HA3 -0.326 3.644 3.960 0.017 0.000 0.248 1228 G C 0.132 175.054 174.900 0.036 0.000 0.979 1228 G CA 0.125 45.232 45.100 0.011 0.000 0.650 1228 G HN 0.768 nan 8.290 nan 0.000 0.529 1229 Y N 1.797 122.070 120.300 -0.045 0.000 2.895 1229 Y HA 0.162 4.725 4.550 0.021 0.000 0.334 1229 Y C 1.455 177.328 175.900 -0.045 0.000 1.261 1229 Y CA 1.733 59.802 58.100 -0.051 0.000 1.560 1229 Y CB 0.545 38.971 38.460 -0.057 0.000 1.253 1229 Y HN 0.431 nan 8.280 nan 0.000 0.582 1230 N N 2.448 120.903 118.700 -0.410 0.000 2.082 1230 N HA 0.174 4.923 4.740 0.017 0.000 0.228 1230 N C -0.585 174.740 175.510 -0.308 0.000 1.341 1230 N CA 0.113 53.018 53.050 -0.242 0.000 0.873 1230 N CB -0.010 38.384 38.487 -0.156 0.000 1.137 1230 N HN 0.544 nan 8.380 nan 0.000 0.505 1231 A N 2.426 124.887 122.820 -0.597 0.000 2.572 1231 A HA 0.169 4.499 4.320 0.017 0.000 0.256 1231 A C -1.869 175.629 177.584 -0.143 0.000 1.041 1231 A CA -0.438 51.383 52.037 -0.359 0.000 0.790 1231 A CB -0.492 18.288 19.000 -0.367 0.000 0.947 1231 A HN 0.363 nan 8.150 nan 0.000 0.518 1232 P HA 0.186 nan 4.420 nan 0.000 0.265 1232 P C 1.092 178.368 177.300 -0.039 0.000 1.193 1232 P CA 1.273 64.337 63.100 -0.060 0.000 0.765 1232 P CB 0.921 32.589 31.700 -0.054 0.000 0.823 1233 G N 3.269 112.053 108.800 -0.027 0.000 2.363 1233 G HA2 -0.262 3.708 3.960 0.017 0.000 0.238 1233 G HA3 -0.262 3.708 3.960 0.017 0.000 0.238 1233 G C 0.238 175.126 174.900 -0.020 0.000 1.062 1233 G CA -0.075 45.013 45.100 -0.020 0.000 0.629 1233 G HN 0.542 nan 8.290 nan 0.000 0.514 1234 I N 3.562 124.126 120.570 -0.011 0.000 2.379 1234 I HA 0.271 4.451 4.170 0.017 0.000 0.290 1234 I C -1.788 174.294 176.117 -0.059 0.000 1.063 1234 I CA -1.770 59.524 61.300 -0.010 0.000 1.351 1234 I CB 0.931 38.978 38.000 0.079 0.000 1.410 1234 I HN -0.045 nan 8.210 nan 0.000 0.505 1235 P HA 0.094 nan 4.420 nan 0.000 0.265 1235 P C -0.826 176.204 177.300 -0.450 0.000 1.193 1235 P CA -0.172 62.749 63.100 -0.299 0.000 0.765 1235 P CB 0.606 32.062 31.700 -0.406 0.000 0.823 1236 L N 4.599 125.611 121.223 -0.352 0.000 2.377 1236 L HA 0.384 4.734 4.340 0.017 0.000 0.270 1236 L C -1.169 175.588 176.870 -0.188 0.000 0.991 1236 L CA -0.730 53.940 54.840 -0.284 0.000 0.851 1236 L CB 0.338 42.369 42.059 -0.047 0.000 1.218 1236 L HN 0.201 nan 8.230 nan 0.000 0.420 1237 Y N 4.741 125.071 120.300 0.050 0.000 2.496 1237 Y HA 0.288 4.846 4.550 0.014 0.000 0.334 1237 Y C 0.738 176.711 175.900 0.123 0.000 1.080 1237 Y CA -0.460 57.702 58.100 0.103 0.000 1.355 1237 Y CB 0.526 39.066 38.460 0.133 0.000 1.193 1237 Y HN 0.572 nan 8.280 nan 0.000 0.523 1238 K N 0.438 121.010 120.400 0.286 0.000 2.520 1238 K HA 0.142 4.472 4.320 0.017 0.000 0.206 1238 K C -0.230 176.525 176.600 0.259 0.000 1.122 1238 K CA -0.437 55.987 56.287 0.229 0.000 1.045 1238 K CB 0.204 32.788 32.500 0.141 0.000 0.932 1238 K HN 0.315 nan 8.250 nan 0.000 0.571 1239 K N 2.016 122.540 120.400 0.206 0.000 2.412 1239 K HA 0.196 4.526 4.320 0.017 0.000 0.284 1239 K C -0.668 176.050 176.600 0.197 0.000 1.046 1239 K CA 0.155 56.433 56.287 -0.015 0.000 0.999 1239 K CB 0.292 32.512 32.500 -0.466 0.000 0.941 1239 K HN 0.188 nan 8.250 nan 0.000 0.474 1240 M N 3.160 122.916 119.600 0.259 0.000 2.602 1240 M HA 0.254 4.744 4.480 0.017 0.000 0.312 1240 M C -0.783 175.747 176.300 0.383 0.000 1.181 1240 M CA -0.783 54.721 55.300 0.338 0.000 0.910 1240 M CB 2.204 34.951 32.600 0.246 0.000 1.723 1240 M HN 0.619 nan 8.290 nan 0.000 0.459 1241 E N 1.388 121.812 120.200 0.374 0.000 2.176 1241 E HA 0.647 5.007 4.350 0.017 0.000 0.267 1241 E C -1.577 175.061 176.600 0.063 0.000 0.893 1241 E CA -0.559 55.908 56.400 0.112 0.000 0.761 1241 E CB 1.792 31.558 29.700 0.110 0.000 1.133 1241 E HN 0.785 nan 8.360 nan 0.000 0.409 1242 A N 3.772 126.577 122.820 -0.025 0.000 2.290 1242 A HA 0.616 4.946 4.320 0.017 0.000 0.310 1242 A C -0.694 176.850 177.584 -0.067 0.000 1.202 1242 A CA -0.454 51.561 52.037 -0.037 0.000 0.837 1242 A CB 0.779 19.718 19.000 -0.102 0.000 1.139 1242 A HN 0.399 nan 8.150 nan 0.000 0.509 1243 V N 0.760 120.655 119.914 -0.032 0.000 3.159 1243 V HA 0.619 4.748 4.120 0.017 0.000 0.308 1243 V C -0.550 175.531 176.094 -0.021 0.000 1.190 1243 V CA -1.078 61.204 62.300 -0.030 0.000 1.037 1243 V CB 2.160 33.989 31.823 0.010 0.000 1.060 1243 V HN 0.837 nan 8.190 nan 0.000 0.437 1244 K N 1.591 121.980 120.400 -0.019 0.000 2.473 1244 K HA 0.551 4.881 4.320 0.017 0.000 0.246 1244 K C -0.349 176.245 176.600 -0.010 0.000 1.011 1244 K CA -0.355 55.926 56.287 -0.011 0.000 0.984 1244 K CB 0.545 33.041 32.500 -0.006 0.000 1.250 1244 K HN 0.498 nan 8.250 nan 0.000 0.454 1245 L N 3.397 124.610 121.223 -0.018 0.000 2.607 1245 L HA 0.311 4.661 4.340 0.017 0.000 0.228 1245 L C 0.231 177.086 176.870 -0.025 0.000 1.123 1245 L CA 0.613 55.443 54.840 -0.016 0.000 0.890 1245 L CB -1.425 40.615 42.059 -0.033 0.000 1.103 1245 L HN 0.730 nan 8.230 nan 0.000 0.468 1246 R N -3.268 117.213 120.500 -0.031 0.000 2.829 1246 R HA 0.201 4.551 4.340 0.017 0.000 0.284 1246 R C -1.178 175.103 176.300 -0.032 0.000 1.006 1246 R CA -0.907 55.172 56.100 -0.033 0.000 0.844 1246 R CB 0.162 30.435 30.300 -0.046 0.000 1.309 1246 R HN -0.196 nan 8.270 nan 0.000 0.494 1247 D N 0.070 120.451 120.400 -0.032 0.000 2.812 1247 D HA -0.134 4.516 4.640 0.017 0.000 0.237 1247 D C 0.258 176.544 176.300 -0.023 0.000 1.162 1247 D CA 0.535 54.517 54.000 -0.030 0.000 0.740 1247 D CB -0.095 40.682 40.800 -0.037 0.000 1.000 1247 D HN 0.550 nan 8.370 nan 0.000 0.416 1248 L N 1.543 122.747 121.223 -0.031 0.000 2.131 1248 L HA -0.094 4.256 4.340 0.017 0.000 0.210 1248 L C 2.292 179.143 176.870 -0.032 0.000 1.092 1248 L CA 1.848 56.672 54.840 -0.028 0.000 0.759 1248 L CB -0.096 41.930 42.059 -0.054 0.000 0.903 1248 L HN 0.220 nan 8.230 nan 0.000 0.435 1249 K N -1.537 118.824 120.400 -0.066 0.000 2.155 1249 K HA -0.003 4.327 4.320 0.017 0.000 0.203 1249 K C 0.493 177.020 176.600 -0.121 0.000 1.052 1249 K CA 0.714 56.954 56.287 -0.078 0.000 0.948 1249 K CB -0.228 32.255 32.500 -0.028 0.000 0.728 1249 K HN 0.263 nan 8.250 nan 0.000 0.448 1250 T N 1.449 115.958 114.554 -0.076 0.000 2.832 1250 T HA 0.105 4.465 4.350 0.017 0.000 0.296 1250 T C -0.453 174.245 174.700 -0.004 0.000 0.968 1250 T CA -0.281 61.767 62.100 -0.086 0.000 1.107 1250 T CB 0.274 69.142 68.868 -0.001 0.000 0.916 1250 T HN 0.006 nan 8.240 nan 0.000 0.517 1251 Y N 3.102 123.495 120.300 0.154 0.000 2.568 1251 Y HA 0.377 4.936 4.550 0.016 0.000 0.338 1251 Y C 1.201 177.234 175.900 0.220 0.000 1.245 1251 Y CA -1.075 57.106 58.100 0.135 0.000 1.667 1251 Y CB -0.918 37.592 38.460 0.084 0.000 1.568 1251 Y HN 0.585 nan 8.280 nan 0.000 0.471 1252 S N -0.063 115.791 115.700 0.258 0.000 2.595 1252 S HA 0.918 5.398 4.470 0.017 0.000 0.281 1252 S C -1.087 173.599 174.600 0.142 0.000 1.117 1252 S CA -0.843 57.470 58.200 0.188 0.000 0.873 1252 S CB 2.089 65.288 63.200 -0.002 0.000 1.108 1252 S HN 0.077 nan 8.310 nan 0.000 0.477 1253 V N 1.208 121.238 119.914 0.193 0.000 2.914 1253 V HA 0.622 4.752 4.120 0.017 0.000 0.314 1253 V C -1.022 175.181 176.094 0.181 0.000 1.084 1253 V CA -0.688 61.700 62.300 0.147 0.000 0.963 1253 V CB 2.137 34.019 31.823 0.098 0.000 1.025 1253 V HN 0.957 nan 8.190 nan 0.000 0.432 1254 Q N 2.058 121.918 119.800 0.100 0.000 2.348 1254 Q HA 0.793 5.143 4.340 0.017 0.000 0.271 1254 Q C -1.457 174.604 176.000 0.103 0.000 1.067 1254 Q CA -0.278 55.583 55.803 0.096 0.000 0.839 1254 Q CB 2.376 31.106 28.738 -0.014 0.000 1.354 1254 Q HN 0.589 nan 8.270 nan 0.000 0.447 1255 L N 1.181 122.477 121.223 0.122 0.000 2.381 1255 L HA 0.560 4.909 4.340 0.017 0.000 0.274 1255 L C -0.632 176.310 176.870 0.120 0.000 0.988 1255 L CA -0.663 54.244 54.840 0.112 0.000 0.824 1255 L CB 1.803 43.920 42.059 0.097 0.000 1.263 1255 L HN 0.311 nan 8.230 nan 0.000 0.410 1256 K N 3.294 123.787 120.400 0.156 0.000 2.274 1256 K HA 0.519 4.849 4.320 0.017 0.000 0.262 1256 K C -1.420 175.279 176.600 0.165 0.000 0.961 1256 K CA -0.803 55.579 56.287 0.158 0.000 0.833 1256 K CB 1.871 34.480 32.500 0.183 0.000 1.102 1256 K HN 0.361 nan 8.250 nan 0.000 0.436 1257 L N 4.618 125.891 121.223 0.084 0.000 2.325 1257 L HA 0.424 4.774 4.340 0.017 0.000 0.279 1257 L C -1.490 175.363 176.870 -0.028 0.000 1.054 1257 L CA -0.165 54.751 54.840 0.126 0.000 0.804 1257 L CB 0.655 42.785 42.059 0.119 0.000 1.200 1257 L HN 0.514 nan 8.230 nan 0.000 0.436 1258 Y N 1.335 121.664 120.300 0.049 0.000 2.562 1258 Y HA 0.470 5.032 4.550 0.021 0.000 0.343 1258 Y C -0.159 175.670 175.900 -0.118 0.000 1.025 1258 Y CA -1.088 56.990 58.100 -0.037 0.000 1.082 1258 Y CB 1.384 39.803 38.460 -0.069 0.000 1.264 1258 Y HN 0.724 nan 8.280 nan 0.000 0.478 1259 D N -1.140 119.183 120.400 -0.129 0.000 2.529 1259 D HA 0.098 4.748 4.640 0.017 0.000 0.273 1259 D C 0.170 176.290 176.300 -0.299 0.000 1.197 1259 D CA -0.606 53.008 54.000 -0.643 0.000 1.070 1259 D CB 0.418 40.629 40.800 -0.982 0.000 1.134 1259 D HN 0.559 nan 8.370 nan 0.000 0.590 1260 D N -1.840 118.402 120.400 -0.263 0.000 2.346 1260 D HA -0.037 4.613 4.640 0.017 0.000 0.248 1260 D C 0.621 176.922 176.300 0.002 0.000 1.173 1260 D CA 0.126 54.166 54.000 0.068 0.000 0.878 1260 D CB -0.046 40.941 40.800 0.312 0.000 0.919 1260 D HN 0.336 nan 8.370 nan 0.000 0.513 1261 K N 1.114 121.479 120.400 -0.059 0.000 2.477 1261 K HA 0.059 4.389 4.320 0.017 0.000 0.208 1261 K C 0.222 176.801 176.600 -0.035 0.000 1.117 1261 K CA 0.313 56.578 56.287 -0.037 0.000 1.039 1261 K CB -0.305 32.176 32.500 -0.030 0.000 0.937 1261 K HN 0.129 nan 8.250 nan 0.000 0.570 1262 N N -0.936 117.751 118.700 -0.022 0.000 2.937 1262 N HA -0.183 4.567 4.740 0.017 0.000 0.248 1262 N C -0.855 174.743 175.510 0.148 0.000 1.069 1262 N CA 0.610 53.695 53.050 0.057 0.000 0.822 1262 N CB -1.788 36.673 38.487 -0.043 0.000 1.122 1262 N HN 0.131 nan 8.380 nan 0.000 0.554 1263 A N 0.670 123.520 122.820 0.050 0.000 2.316 1263 A HA 0.598 4.928 4.320 0.017 0.000 0.284 1263 A C 0.421 177.952 177.584 -0.089 0.000 1.115 1263 A CA 0.276 52.299 52.037 -0.023 0.000 0.812 1263 A CB 1.428 20.388 19.000 -0.067 0.000 1.064 1263 A HN 0.633 nan 8.150 nan 0.000 0.489 1264 S N 1.214 116.799 115.700 -0.190 0.000 2.513 1264 S HA 0.415 4.895 4.470 0.017 0.000 0.276 1264 S C 0.449 174.934 174.600 -0.190 0.000 1.254 1264 S CA -0.604 57.396 58.200 -0.334 0.000 1.053 1264 S CB -0.015 62.958 63.200 -0.377 0.000 0.958 1264 S HN 0.554 nan 8.310 nan 0.000 0.491 1265 L N 4.554 125.681 121.223 -0.161 0.000 2.607 1265 L HA 0.412 4.762 4.340 0.017 0.000 0.228 1265 L C 1.178 178.043 176.870 -0.009 0.000 1.123 1265 L CA 0.246 55.036 54.840 -0.083 0.000 0.890 1265 L CB -0.593 41.430 42.059 -0.060 0.000 1.103 1265 L HN 1.004 nan 8.230 nan 0.000 0.468 1266 G N 0.316 109.154 108.800 0.063 0.000 2.570 1266 G HA2 -0.113 3.857 3.960 0.017 0.000 0.686 1266 G HA3 -0.113 3.857 3.960 0.017 0.000 0.686 1266 G C -0.826 174.239 174.900 0.275 0.000 1.257 1266 G CA -1.068 44.184 45.100 0.253 0.000 0.846 1266 G HN -0.058 nan 8.290 nan 0.000 0.627 1267 L N 0.138 121.558 121.223 0.329 0.000 2.439 1267 L HA 0.391 4.741 4.340 0.017 0.000 0.269 1267 L C 1.244 178.249 176.870 0.225 0.000 1.179 1267 L CA -0.896 54.043 54.840 0.166 0.000 0.828 1267 L CB 0.967 42.985 42.059 -0.069 0.000 1.106 1267 L HN 0.463 nan 8.230 nan 0.000 0.467 1268 V N 2.370 122.385 119.914 0.167 0.000 2.572 1268 V HA 0.514 4.644 4.120 0.017 0.000 0.291 1268 V C 0.776 177.078 176.094 0.347 0.000 1.039 1268 V CA 0.540 62.967 62.300 0.212 0.000 1.055 1268 V CB 0.585 32.456 31.823 0.080 0.000 0.969 1268 V HN 1.030 nan 8.190 nan 0.000 0.482 1269 G N 3.723 112.774 108.800 0.418 0.000 2.578 1269 G HA2 0.701 4.671 3.960 0.017 0.000 0.302 1269 G HA3 0.701 4.671 3.960 0.017 0.000 0.302 1269 G C -0.623 174.549 174.900 0.454 0.000 1.243 1269 G CA 0.187 45.538 45.100 0.419 0.000 0.843 1269 G HN 0.790 nan 8.290 nan 0.000 0.486 1270 T N -2.963 111.794 114.554 0.338 0.000 2.916 1270 T HA 0.738 5.098 4.350 0.017 0.000 0.292 1270 T C -1.204 173.601 174.700 0.176 0.000 1.064 1270 T CA -0.601 61.658 62.100 0.265 0.000 1.011 1270 T CB 2.305 71.288 68.868 0.192 0.000 1.152 1270 T HN 0.872 nan 8.240 nan 0.000 0.510 1271 H N 0.481 119.545 119.070 -0.011 0.000 3.017 1271 H HA 0.392 4.913 4.556 -0.057 0.000 0.340 1271 H C -0.565 174.567 175.328 -0.327 0.000 1.014 1271 H CA -0.536 55.372 56.048 -0.234 0.000 1.341 1271 H CB 1.217 30.794 29.762 -0.308 0.000 1.739 1271 H HN 0.750 nan 8.280 nan 0.000 0.506 1272 N N 3.199 121.648 118.700 -0.419 0.000 2.492 1272 N HA 0.329 5.079 4.740 0.017 0.000 0.262 1272 N C -0.251 175.038 175.510 -0.367 0.000 1.202 1272 N CA 1.134 54.015 53.050 -0.282 0.000 0.926 1272 N CB 0.805 39.140 38.487 -0.254 0.000 1.078 1272 N HN 0.841 nan 8.380 nan 0.000 0.454 1273 G N 1.527 110.173 108.800 -0.257 0.000 2.488 1273 G HA2 0.180 4.150 3.960 0.017 0.000 0.301 1273 G HA3 0.180 4.150 3.960 0.017 0.000 0.301 1273 G C -2.076 172.817 174.900 -0.011 0.000 1.339 1273 G CA -0.439 44.514 45.100 -0.245 0.000 0.803 1273 G HN 0.518 nan 8.290 nan 0.000 0.482 1274 Q N -0.303 119.547 119.800 0.082 0.000 2.375 1274 Q HA 0.615 4.965 4.340 0.017 0.000 0.271 1274 Q C -1.349 174.676 176.000 0.042 0.000 1.074 1274 Q CA -0.680 55.150 55.803 0.044 0.000 0.808 1274 Q CB 2.252 31.006 28.738 0.027 0.000 1.327 1274 Q HN 0.492 nan 8.270 nan 0.000 0.441 1275 I N 3.197 123.746 120.570 -0.035 0.000 2.448 1275 I HA 0.351 4.531 4.170 0.017 0.000 0.281 1275 I C 0.775 176.894 176.117 0.003 0.000 1.027 1275 I CA -0.153 61.104 61.300 -0.072 0.000 1.111 1275 I CB 1.171 38.998 38.000 -0.288 0.000 1.236 1275 I HN 0.979 nan 8.210 nan 0.000 0.452 1276 G N 6.153 114.957 108.800 0.008 0.000 2.543 1276 G HA2 -0.384 3.586 3.960 0.017 0.000 0.286 1276 G HA3 -0.384 3.586 3.960 0.017 0.000 0.286 1276 G C 0.466 175.380 174.900 0.023 0.000 1.153 1276 G CA 0.869 45.981 45.100 0.021 0.000 0.968 1276 G HN 0.650 nan 8.290 nan 0.000 0.544 1277 N N 1.772 120.489 118.700 0.029 0.000 2.214 1277 N HA 0.231 4.980 4.740 0.017 0.000 0.214 1277 N C -0.085 175.439 175.510 0.024 0.000 1.132 1277 N CA 0.607 53.671 53.050 0.023 0.000 0.856 1277 N CB 0.149 38.647 38.487 0.018 0.000 1.020 1277 N HN 0.463 nan 8.380 nan 0.000 0.509 1278 D N 1.085 121.507 120.400 0.037 0.000 2.368 1278 D HA 0.114 4.764 4.640 0.017 0.000 0.240 1278 D C -2.053 174.256 176.300 0.015 0.000 1.169 1278 D CA -0.979 53.039 54.000 0.029 0.000 0.906 1278 D CB 0.397 41.242 40.800 0.075 0.000 1.187 1278 D HN 0.235 nan 8.370 nan 0.000 0.435 1279 P HA 0.007 nan 4.420 nan 0.000 0.277 1279 P C -0.010 177.290 177.300 0.001 0.000 1.271 1279 P CA -0.639 62.461 63.100 0.001 0.000 0.795 1279 P CB 0.667 32.367 31.700 0.001 0.000 1.101 1280 N N 1.141 119.842 118.700 0.002 0.000 2.359 1280 N HA -0.054 4.696 4.740 0.017 0.000 0.261 1280 N C -0.271 175.248 175.510 0.014 0.000 1.267 1280 N CA 0.626 53.676 53.050 -0.000 0.000 0.864 1280 N CB 0.137 38.618 38.487 -0.009 0.000 1.063 1280 N HN 0.327 nan 8.380 nan 0.000 0.474 1281 R N 1.301 121.815 120.500 0.024 0.000 2.764 1281 R HA 0.259 4.609 4.340 0.017 0.000 0.270 1281 R C -1.545 174.808 176.300 0.088 0.000 1.014 1281 R CA -0.773 55.375 56.100 0.080 0.000 0.904 1281 R CB 1.311 31.674 30.300 0.106 0.000 1.236 1281 R HN 0.467 nan 8.270 nan 0.000 0.466 1282 D N 1.967 122.459 120.400 0.153 0.000 2.428 1282 D HA 0.260 4.910 4.640 0.017 0.000 0.221 1282 D C -0.424 176.035 176.300 0.266 0.000 1.123 1282 D CA 0.003 54.086 54.000 0.139 0.000 0.869 1282 D CB 0.809 41.677 40.800 0.113 0.000 1.032 1282 D HN 0.233 nan 8.370 nan 0.000 0.506 1283 I N 2.312 123.042 120.570 0.266 0.000 2.440 1283 I HA 0.123 4.303 4.170 0.017 0.000 0.294 1283 I C 0.607 176.939 176.117 0.358 0.000 0.995 1283 I CA -0.628 60.895 61.300 0.372 0.000 1.306 1283 I CB 1.361 39.550 38.000 0.315 0.000 1.407 1283 I HN 0.075 nan 8.210 nan 0.000 0.501 1284 L N 6.673 128.113 121.223 0.362 0.000 2.416 1284 L HA 0.326 4.676 4.340 0.017 0.000 0.272 1284 L C -0.202 176.833 176.870 0.275 0.000 1.161 1284 L CA -0.061 54.966 54.840 0.311 0.000 0.845 1284 L CB 0.555 42.753 42.059 0.232 0.000 1.119 1284 L HN 0.526 nan 8.230 nan 0.000 0.464 1285 I N 0.573 121.305 120.570 0.271 0.000 3.264 1285 I HA 0.857 5.036 4.170 0.017 0.000 0.315 1285 I C -0.586 175.645 176.117 0.191 0.000 1.154 1285 I CA -0.885 60.539 61.300 0.206 0.000 0.962 1285 I CB 1.994 40.123 38.000 0.214 0.000 1.265 1285 I HN 0.445 nan 8.210 nan 0.000 0.463 1286 A N 1.428 124.311 122.820 0.105 0.000 2.318 1286 A HA 0.881 5.211 4.320 0.017 0.000 0.317 1286 A C -0.512 177.127 177.584 0.093 0.000 1.159 1286 A CA -0.321 51.786 52.037 0.118 0.000 0.799 1286 A CB 0.900 19.934 19.000 0.057 0.000 1.194 1286 A HN 1.000 nan 8.150 nan 0.000 0.479 1287 S N 1.383 117.211 115.700 0.213 0.000 2.541 1287 S HA 0.370 4.850 4.470 0.017 0.000 0.271 1287 S C -0.118 174.652 174.600 0.283 0.000 1.133 1287 S CA -0.672 57.623 58.200 0.158 0.000 0.876 1287 S CB 1.227 64.455 63.200 0.047 0.000 1.105 1287 S HN 0.608 nan 8.310 nan 0.000 0.470 1288 N N 1.534 120.379 118.700 0.241 0.000 2.467 1288 N HA 0.021 4.771 4.740 0.017 0.000 0.184 1288 N C 1.080 176.824 175.510 0.390 0.000 1.106 1288 N CA 0.276 53.539 53.050 0.356 0.000 0.892 1288 N CB -0.158 38.419 38.487 0.150 0.000 0.969 1288 N HN 0.814 nan 8.380 nan 0.000 0.454 1289 W N 1.169 122.485 121.300 0.027 0.000 2.338 1289 W HA -0.216 4.487 4.660 0.071 0.000 0.304 1289 W C 1.318 177.829 176.519 -0.014 0.000 1.212 1289 W CA 1.318 58.626 57.345 -0.063 0.000 1.264 1289 W CB -0.421 28.861 29.460 -0.296 0.000 1.142 1289 W HN 0.032 nan 8.180 nan 0.000 0.512 1290 Y N -0.930 119.592 120.300 0.370 0.000 2.315 1290 Y HA -0.198 4.375 4.550 0.037 0.000 0.288 1290 Y C 1.998 177.836 175.900 -0.103 0.000 1.154 1290 Y CA 1.535 59.686 58.100 0.085 0.000 1.229 1290 Y CB -1.417 37.057 38.460 0.023 0.000 0.980 1290 Y HN -0.103 nan 8.280 nan 0.000 0.540 1291 F N 0.133 120.164 119.950 0.135 0.000 2.546 1291 F HA -0.135 4.399 4.527 0.011 0.000 0.298 1291 F C 1.518 177.291 175.800 -0.044 0.000 1.120 1291 F CA 0.862 58.890 58.000 0.046 0.000 1.456 1291 F CB -0.233 38.788 39.000 0.036 0.000 1.088 1291 F HN 0.158 nan 8.300 nan 0.000 0.572 1292 N N -1.374 117.340 118.700 0.024 0.000 2.280 1292 N HA -0.013 4.737 4.740 0.017 0.000 0.192 1292 N C 0.233 175.530 175.510 -0.354 0.000 1.109 1292 N CA 0.446 53.405 53.050 -0.152 0.000 0.855 1292 N CB -0.093 38.247 38.487 -0.245 0.000 0.974 1292 N HN 0.360 nan 8.380 nan 0.000 0.482 1293 H N -0.071 118.822 119.070 -0.295 0.000 2.512 1293 H HA 0.338 4.908 4.556 0.024 0.000 0.276 1293 H C 1.421 176.674 175.328 -0.125 0.000 1.126 1293 H CA -0.196 55.699 56.048 -0.256 0.000 1.060 1293 H CB 0.197 29.705 29.762 -0.424 0.000 1.646 1293 H HN -0.036 nan 8.280 nan 0.000 0.571 1294 L N 0.259 121.462 121.223 -0.032 0.000 2.549 1294 L HA -0.095 4.255 4.340 0.017 0.000 0.229 1294 L C 1.118 177.969 176.870 -0.032 0.000 1.158 1294 L CA 1.282 56.104 54.840 -0.030 0.000 0.842 1294 L CB -0.017 42.027 42.059 -0.025 0.000 0.952 1294 L HN 0.289 nan 8.230 nan 0.000 0.452 1295 K N -1.190 119.186 120.400 -0.040 0.000 2.358 1295 K HA 0.142 4.471 4.320 0.017 0.000 0.197 1295 K C -0.044 176.542 176.600 -0.022 0.000 1.025 1295 K CA -0.290 55.976 56.287 -0.035 0.000 1.104 1295 K CB 0.200 32.672 32.500 -0.045 0.000 0.855 1295 K HN 0.134 nan 8.250 nan 0.000 0.531 1296 D N 1.847 122.244 120.400 -0.006 0.000 2.419 1296 D HA -0.055 4.595 4.640 0.017 0.000 0.236 1296 D C 1.068 177.372 176.300 0.007 0.000 1.165 1296 D CA 0.458 54.469 54.000 0.018 0.000 0.882 1296 D CB 0.860 41.701 40.800 0.067 0.000 1.201 1296 D HN -0.153 nan 8.370 nan 0.000 0.443 1297 K N 1.352 121.758 120.400 0.010 0.000 2.167 1297 K HA 0.124 4.454 4.320 0.017 0.000 0.203 1297 K C -0.121 176.477 176.600 -0.003 0.000 1.052 1297 K CA 0.985 57.274 56.287 0.003 0.000 0.956 1297 K CB 0.158 32.663 32.500 0.009 0.000 0.735 1297 K HN 0.461 nan 8.250 nan 0.000 0.451 1298 I N 1.504 122.075 120.570 0.003 0.000 2.433 1298 I HA 0.279 4.459 4.170 0.017 0.000 0.292 1298 I C -1.125 174.988 176.117 -0.007 0.000 1.001 1298 I CA -1.292 59.999 61.300 -0.016 0.000 1.119 1298 I CB 1.785 39.779 38.000 -0.010 0.000 1.289 1298 I HN -0.107 nan 8.210 nan 0.000 0.438 1299 L N 3.952 125.144 121.223 -0.052 0.000 2.354 1299 L HA 0.633 4.983 4.340 0.017 0.000 0.264 1299 L C 0.824 177.609 176.870 -0.143 0.000 1.008 1299 L CA 0.007 54.826 54.840 -0.034 0.000 0.819 1299 L CB 2.054 44.080 42.059 -0.055 0.000 1.339 1299 L HN 0.633 nan 8.230 nan 0.000 0.420 1300 G N 0.477 109.234 108.800 -0.072 0.000 2.985 1300 G HA2 -0.006 3.964 3.960 0.017 0.000 0.209 1300 G HA3 -0.006 3.964 3.960 0.017 0.000 0.209 1300 G C 0.676 175.271 174.900 -0.509 0.000 1.165 1300 G CA 0.650 45.633 45.100 -0.195 0.000 0.776 1300 G HN 0.791 nan 8.290 nan 0.000 0.541 1301 C N -0.499 118.369 119.300 -0.720 0.000 2.668 1301 C HA 0.436 4.906 4.460 0.017 0.000 0.301 1301 C C -0.516 174.145 174.990 -0.549 0.000 1.351 1301 C CA -1.621 56.941 59.018 -0.759 0.000 1.757 1301 C CB -0.874 26.219 27.740 -1.078 0.000 2.179 1301 C HN 0.040 nan 8.230 nan 0.000 0.586 1302 D N 0.992 120.984 120.400 -0.681 0.000 2.280 1302 D HA 0.459 5.109 4.640 0.017 0.000 0.236 1302 D C -0.878 174.989 176.300 -0.722 0.000 1.082 1302 D CA 0.335 54.030 54.000 -0.509 0.000 0.834 1302 D CB 0.637 41.202 40.800 -0.391 0.000 1.100 1302 D HN 0.595 nan 8.370 nan 0.000 0.486 1303 W N 2.288 123.486 121.300 -0.170 0.000 2.606 1303 W HA 0.388 5.054 4.660 0.009 0.000 0.332 1303 W C -0.432 176.048 176.519 -0.065 0.000 1.052 1303 W CA -0.974 56.266 57.345 -0.176 0.000 1.223 1303 W CB 0.801 30.139 29.460 -0.203 0.000 1.383 1303 W HN 0.233 nan 8.180 nan 0.000 0.524 1304 Y N 1.977 122.394 120.300 0.196 0.000 2.313 1304 Y HA 0.369 4.931 4.550 0.019 0.000 0.332 1304 Y C -0.335 175.581 175.900 0.027 0.000 1.071 1304 Y CA -1.322 56.896 58.100 0.196 0.000 1.169 1304 Y CB 0.355 38.927 38.460 0.187 0.000 1.192 1304 Y HN 0.144 nan 8.280 nan 0.000 0.487 1305 F N 2.577 122.609 119.950 0.138 0.000 2.332 1305 F HA 0.438 4.974 4.527 0.016 0.000 0.368 1305 F C -0.426 175.379 175.800 0.008 0.000 1.110 1305 F CA -0.962 56.997 58.000 -0.068 0.000 1.087 1305 F CB 0.867 39.576 39.000 -0.485 0.000 1.235 1305 F HN 0.054 nan 8.300 nan 0.000 0.470 1306 V N 6.263 126.316 119.914 0.232 0.000 2.311 1306 V HA 0.395 4.525 4.120 0.017 0.000 0.275 1306 V C -2.301 174.131 176.094 0.562 0.000 1.022 1306 V CA -1.846 60.567 62.300 0.188 0.000 0.830 1306 V CB 1.017 32.759 31.823 -0.136 0.000 1.012 1306 V HN 0.426 nan 8.190 nan 0.000 0.452 1307 P HA 0.382 nan 4.420 nan 0.000 0.290 1307 P C -0.084 177.582 177.300 0.610 0.000 1.275 1307 P CA -0.411 63.036 63.100 0.577 0.000 0.841 1307 P CB 0.873 32.898 31.700 0.541 0.000 1.042 1308 T N 0.200 114.924 114.554 0.284 0.000 2.937 1308 T HA 0.178 4.538 4.350 0.017 0.000 0.316 1308 T C -0.112 174.718 174.700 0.217 0.000 1.079 1308 T CA 0.009 62.097 62.100 -0.020 0.000 1.131 1308 T CB 0.214 68.879 68.868 -0.337 0.000 1.000 1308 T HN 0.490 nan 8.240 nan 0.000 0.549 1309 D N 0.213 120.760 120.400 0.245 0.000 2.927 1309 D HA 0.092 4.742 4.640 0.017 0.000 0.219 1309 D C 0.834 177.199 176.300 0.108 0.000 1.248 1309 D CA -0.483 53.593 54.000 0.125 0.000 0.861 1309 D CB 1.741 42.490 40.800 -0.086 0.000 1.677 1309 D HN 0.687 nan 8.370 nan 0.000 0.511 1310 E N 1.678 121.913 120.200 0.058 0.000 2.147 1310 E HA -0.191 4.169 4.350 0.017 0.000 0.199 1310 E C 1.693 178.392 176.600 0.165 0.000 1.005 1310 E CA 1.271 57.739 56.400 0.114 0.000 0.810 1310 E CB -0.034 29.723 29.700 0.094 0.000 0.736 1310 E HN 0.538 nan 8.360 nan 0.000 0.460 1311 G N 0.214 109.078 108.800 0.106 0.000 2.559 1311 G HA2 -0.181 3.788 3.960 0.017 0.000 0.216 1311 G HA3 -0.181 3.788 3.960 0.017 0.000 0.216 1311 G C -0.065 174.844 174.900 0.015 0.000 1.126 1311 G CA -0.086 45.020 45.100 0.010 0.000 0.778 1311 G HN 0.203 nan 8.290 nan 0.000 0.543 1312 W N 1.031 122.285 121.300 -0.076 0.000 2.647 1312 W HA 0.621 5.292 4.660 0.018 0.000 0.328 1312 W C -1.508 175.118 176.519 0.178 0.000 1.018 1312 W CA -0.658 56.706 57.345 0.033 0.000 1.245 1312 W CB 1.663 31.214 29.460 0.152 0.000 1.356 1312 W HN -0.226 nan 8.180 nan 0.000 0.443 1313 T N 5.761 120.394 114.554 0.131 0.000 2.928 1313 T HA 0.162 4.522 4.350 0.017 0.000 0.296 1313 T C -0.175 174.562 174.700 0.061 0.000 1.000 1313 T CA -0.543 61.699 62.100 0.236 0.000 0.989 1313 T CB 1.019 69.963 68.868 0.125 0.000 1.005 1313 T HN 0.205 nan 8.240 nan 0.000 0.442 1314 N N 3.579 122.419 118.700 0.233 0.000 2.454 1314 N HA 0.098 4.848 4.740 0.017 0.000 0.260 1314 N C 0.049 175.527 175.510 -0.053 0.000 1.218 1314 N CA 0.196 53.332 53.050 0.144 0.000 0.904 1314 N CB 0.524 39.127 38.487 0.193 0.000 1.065 1314 N HN 0.559 nan 8.380 nan 0.000 0.462 1315 D N 0.000 120.246 120.400 -0.257 0.000 6.856 1315 D HA 0.000 4.650 4.640 0.017 0.000 0.175 1315 D CA 0.000 53.842 54.000 -0.264 0.000 0.868 1315 D CB 0.000 40.635 40.800 -0.276 0.000 0.688 1315 D HN 0.000 nan 8.370 nan 0.000 0.683