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 1diw_1_A DATA FIRST_RESID 875 DATA SEQUENCE EDIDVILKKS TILNLDINND IISDISGFNS SVITYPDAQL VPGINGKAIH DATA SEQUENCE LVNNEESEVI VHKAMDIEYN DMFNNFTVSF WLRVPKVSAS HLEQYGTNEY DATA SEQUENCE SIISSMKKHS LSIGSGWSVS LKGNNLIWTL KDSAGEVRQI TFRDLPDKFN DATA SEQUENCE AYLANKWVFI TITNDRLSSA NLYINGVLMG SAEITGLGAI REDNNITLKL DATA SEQUENCE DRCNNNNQYV SIDKFRIFCK ALNPKEIEKL YTSYLSITFL RDFWGNPLRY DATA SEQUENCE DTEYYLIPVA SSSKDVQLKN ITDYMYLTNA PSYTNGKLNI YYRRLYNGLK DATA SEQUENCE FIIKRYTPNN EIDSFVKSGD FIKLYVSYNN NEHIVGYPKD GNAFNNLDRI DATA SEQUENCE LRVGYNAPGI PLYKKMEAVK LRDLKTYSVQ LKLYDDKNAS LGLVGTHNGQ DATA SEQUENCE IGNDPNRDIL IASNWYFNHL KDKILGCDWY FVPTDEGWTN 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 875 E HA 0.000 nan 4.350 nan 0.000 0.291 875 E C 0.000 176.592 176.600 -0.013 0.000 1.382 875 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 875 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 876 D N 0.787 121.180 120.400 -0.011 0.000 2.312 876 D HA 0.211 4.851 4.640 -0.000 0.000 0.248 876 D C 1.134 177.422 176.300 -0.021 0.000 1.086 876 D CA -0.204 53.786 54.000 -0.016 0.000 0.948 876 D CB 0.958 41.751 40.800 -0.012 0.000 1.162 876 D HN 0.244 nan 8.370 nan 0.000 0.446 877 I N 1.163 121.715 120.570 -0.030 0.000 2.716 877 I HA -0.143 4.027 4.170 -0.000 0.000 0.259 877 I C 1.517 177.615 176.117 -0.031 0.000 1.172 877 I CA 0.762 62.037 61.300 -0.042 0.000 1.478 877 I CB -0.736 37.230 38.000 -0.055 0.000 1.104 877 I HN 0.273 nan 8.210 nan 0.000 0.439 878 D N 1.129 121.515 120.400 -0.023 0.000 2.144 878 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 878 D C 2.427 178.734 176.300 0.011 0.000 0.978 878 D CA 0.950 54.943 54.000 -0.012 0.000 0.833 878 D CB -0.093 40.696 40.800 -0.018 0.000 0.961 878 D HN 0.142 nan 8.370 nan 0.000 0.470 879 V N 1.144 121.063 119.914 0.010 0.000 2.407 879 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 879 V C 2.314 178.432 176.094 0.040 0.000 1.041 879 V CA 1.218 63.532 62.300 0.022 0.000 1.040 879 V CB -0.481 31.350 31.823 0.013 0.000 0.671 879 V HN 0.191 nan 8.190 nan 0.000 0.455 880 I N -1.898 118.689 120.570 0.029 0.000 2.761 880 I HA -0.015 4.154 4.170 -0.000 0.000 0.261 880 I C 2.055 178.217 176.117 0.075 0.000 1.198 880 I CA 1.343 62.668 61.300 0.041 0.000 1.482 880 I CB -0.756 37.250 38.000 0.011 0.000 1.100 880 I HN 0.099 nan 8.210 nan 0.000 0.445 881 L N 0.744 122.010 121.223 0.073 0.000 2.044 881 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 881 L C 2.751 179.799 176.870 0.295 0.000 1.075 881 L CA 1.556 56.498 54.840 0.171 0.000 0.747 881 L CB -0.496 41.624 42.059 0.102 0.000 0.903 881 L HN 0.300 nan 8.230 nan 0.000 0.435 882 K N 0.466 120.963 120.400 0.161 0.000 2.025 882 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 882 K C 2.076 178.756 176.600 0.133 0.000 1.049 882 K CA 1.331 57.694 56.287 0.126 0.000 0.933 882 K CB 0.075 32.618 32.500 0.072 0.000 0.714 882 K HN 0.147 nan 8.250 nan 0.000 0.438 883 K N 0.431 120.905 120.400 0.123 0.000 2.283 883 K HA -0.050 4.270 4.320 -0.000 0.000 0.202 883 K C 1.926 178.625 176.600 0.165 0.000 1.048 883 K CA 1.399 57.761 56.287 0.125 0.000 0.948 883 K CB 0.112 32.667 32.500 0.092 0.000 0.742 883 K HN 0.284 nan 8.250 nan 0.000 0.458 884 S N -0.103 115.716 115.700 0.200 0.000 2.575 884 S HA 0.023 4.493 4.470 -0.000 0.000 0.215 884 S C 0.703 175.434 174.600 0.217 0.000 0.966 884 S CA -0.322 58.015 58.200 0.228 0.000 0.911 884 S CB -0.010 63.340 63.200 0.250 0.000 0.780 884 S HN -0.051 nan 8.310 nan 0.000 0.514 885 T N 2.715 117.358 114.554 0.149 0.000 2.817 885 T HA 0.328 4.678 4.350 -0.000 0.000 0.295 885 T C 0.501 175.206 174.700 0.008 0.000 0.958 885 T CA -0.014 62.035 62.100 -0.085 0.000 1.157 885 T CB 0.765 69.564 68.868 -0.115 0.000 0.898 885 T HN 0.144 nan 8.240 nan 0.000 0.536 886 I N 3.221 123.707 120.570 -0.140 0.000 4.187 886 I HA 0.402 4.572 4.170 -0.000 0.000 0.326 886 I C -0.501 175.506 176.117 -0.183 0.000 1.302 886 I CA 0.282 61.412 61.300 -0.282 0.000 1.196 886 I CB 0.585 38.411 38.000 -0.288 0.000 1.095 886 I HN 0.406 nan 8.210 nan 0.000 0.411 887 L N 0.464 121.629 121.223 -0.097 0.000 2.641 887 L HA 0.545 4.885 4.340 -0.000 0.000 0.261 887 L C -1.722 175.131 176.870 -0.029 0.000 0.926 887 L CA -0.277 54.563 54.840 -0.001 0.000 0.917 887 L CB 1.545 43.637 42.059 0.056 0.000 1.361 887 L HN -0.088 nan 8.230 nan 0.000 0.417 888 N N 4.888 123.620 118.700 0.053 0.000 2.594 888 N HA 0.416 5.156 4.740 -0.000 0.000 0.280 888 N C -1.781 173.802 175.510 0.121 0.000 1.156 888 N CA -0.312 52.772 53.050 0.057 0.000 0.831 888 N CB 1.184 39.694 38.487 0.038 0.000 1.379 888 N HN 0.687 nan 8.380 nan 0.000 0.536 889 L N 1.770 123.099 121.223 0.177 0.000 2.313 889 L HA 0.372 4.712 4.340 -0.000 0.000 0.282 889 L C 0.121 177.078 176.870 0.144 0.000 1.092 889 L CA -0.263 54.683 54.840 0.176 0.000 0.831 889 L CB 0.633 42.831 42.059 0.232 0.000 1.159 889 L HN 0.441 nan 8.230 nan 0.000 0.442 890 D N 3.424 123.888 120.400 0.106 0.000 2.527 890 D HA 0.535 5.175 4.640 -0.000 0.000 0.233 890 D C -0.869 175.467 176.300 0.059 0.000 1.063 890 D CA -0.412 53.636 54.000 0.079 0.000 0.880 890 D CB 1.976 42.817 40.800 0.069 0.000 1.457 890 D HN 0.259 nan 8.370 nan 0.000 0.475 891 I N 2.954 123.547 120.570 0.038 0.000 2.354 891 I HA 0.358 4.527 4.170 -0.000 0.000 0.286 891 I C -0.205 175.919 176.117 0.012 0.000 1.007 891 I CA -0.602 60.714 61.300 0.027 0.000 1.167 891 I CB 0.918 38.932 38.000 0.022 0.000 1.320 891 I HN 0.160 nan 8.210 nan 0.000 0.458 892 N N 5.868 124.577 118.700 0.016 0.000 2.249 892 N HA 0.268 5.008 4.740 -0.000 0.000 0.296 892 N C -0.604 174.913 175.510 0.012 0.000 1.051 892 N CA -0.459 52.597 53.050 0.010 0.000 0.815 892 N CB 1.940 40.434 38.487 0.011 0.000 1.487 892 N HN 0.519 nan 8.380 nan 0.000 0.475 893 N N 2.013 120.718 118.700 0.009 0.000 2.721 893 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 893 N C -0.970 174.548 175.510 0.013 0.000 1.072 893 N CA 0.979 54.036 53.050 0.011 0.000 0.710 893 N CB -0.838 37.654 38.487 0.010 0.000 0.993 893 N HN 0.738 nan 8.380 nan 0.000 0.547 894 D N -1.687 118.721 120.400 0.015 0.000 2.837 894 D HA -0.192 4.448 4.640 -0.000 0.000 0.230 894 D C -0.145 176.167 176.300 0.020 0.000 1.152 894 D CA 0.958 54.969 54.000 0.019 0.000 0.736 894 D CB -0.756 40.056 40.800 0.019 0.000 1.084 894 D HN 0.460 nan 8.370 nan 0.000 0.429 895 I N 0.694 121.276 120.570 0.020 0.000 2.608 895 I HA 0.395 4.565 4.170 -0.000 0.000 0.295 895 I C 0.706 176.840 176.117 0.029 0.000 1.049 895 I CA -0.788 60.525 61.300 0.021 0.000 1.063 895 I CB 1.967 39.975 38.000 0.014 0.000 1.248 895 I HN -0.165 nan 8.210 nan 0.000 0.424 896 I N 4.610 125.201 120.570 0.034 0.000 2.315 896 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 896 I C 0.287 176.431 176.117 0.045 0.000 1.006 896 I CA -0.037 61.291 61.300 0.047 0.000 1.265 896 I CB 1.404 39.438 38.000 0.056 0.000 1.387 896 I HN 0.668 nan 8.210 nan 0.000 0.475 897 S N 3.061 118.793 115.700 0.053 0.000 2.607 897 S HA 0.402 4.872 4.470 -0.000 0.000 0.273 897 S C -1.226 173.418 174.600 0.074 0.000 1.148 897 S CA -1.031 57.202 58.200 0.054 0.000 0.833 897 S CB 2.150 65.374 63.200 0.040 0.000 1.130 897 S HN 0.556 nan 8.310 nan 0.000 0.470 898 D N 0.892 121.340 120.400 0.079 0.000 2.316 898 D HA 0.312 4.952 4.640 -0.000 0.000 0.245 898 D C 0.811 177.162 176.300 0.085 0.000 1.171 898 D CA -0.664 53.395 54.000 0.098 0.000 0.856 898 D CB 0.339 41.206 40.800 0.112 0.000 1.090 898 D HN 0.640 nan 8.370 nan 0.000 0.476 899 I N 1.155 121.774 120.570 0.082 0.000 3.884 899 I HA 0.162 4.332 4.170 -0.000 0.000 0.330 899 I C 1.252 177.412 176.117 0.072 0.000 1.451 899 I CA -0.360 60.979 61.300 0.065 0.000 1.165 899 I CB 0.039 38.072 38.000 0.055 0.000 1.097 899 I HN 0.220 nan 8.210 nan 0.000 0.404 900 S N 0.932 116.697 115.700 0.107 0.000 2.402 900 S HA 0.153 4.623 4.470 -0.000 0.000 0.229 900 S C 1.746 176.421 174.600 0.125 0.000 1.021 900 S CA 1.110 59.400 58.200 0.149 0.000 0.974 900 S CB -0.212 63.136 63.200 0.245 0.000 0.800 900 S HN 0.821 nan 8.310 nan 0.000 0.484 901 G N -0.152 108.687 108.800 0.064 0.000 2.380 901 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.197 901 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.197 901 G C 0.460 175.244 174.900 -0.192 0.000 1.001 901 G CA 0.041 45.080 45.100 -0.102 0.000 0.668 901 G HN 0.492 nan 8.290 nan 0.000 0.483 902 F N 1.896 121.858 119.950 0.019 0.000 2.789 902 F HA 0.264 4.791 4.527 0.000 0.000 0.300 902 F C 1.296 177.109 175.800 0.023 0.000 1.132 902 F CA 0.478 58.490 58.000 0.021 0.000 1.404 902 F CB 0.091 39.104 39.000 0.022 0.000 1.114 902 F HN 0.087 nan 8.300 nan 0.000 0.584 903 N N 0.760 119.553 118.700 0.155 0.000 2.705 903 N HA -0.199 4.541 4.740 -0.000 0.000 0.255 903 N C -0.408 175.168 175.510 0.111 0.000 1.008 903 N CA 0.688 53.800 53.050 0.103 0.000 0.742 903 N CB -1.618 36.906 38.487 0.061 0.000 0.906 903 N HN 0.041 nan 8.380 nan 0.000 0.541 904 S N 0.182 115.958 115.700 0.127 0.000 2.531 904 S HA 0.241 4.711 4.470 -0.000 0.000 0.279 904 S C 0.882 175.531 174.600 0.081 0.000 1.305 904 S CA -0.594 57.669 58.200 0.106 0.000 1.058 904 S CB 1.003 64.267 63.200 0.106 0.000 0.899 904 S HN 0.466 nan 8.310 nan 0.000 0.493 905 S N 3.021 118.761 115.700 0.067 0.000 2.549 905 S HA 0.386 4.856 4.470 -0.000 0.000 0.279 905 S C -0.274 174.317 174.600 -0.015 0.000 1.321 905 S CA -0.673 57.534 58.200 0.012 0.000 1.054 905 S CB 0.269 63.453 63.200 -0.027 0.000 0.899 905 S HN 0.396 nan 8.310 nan 0.000 0.497 906 V N 4.913 124.812 119.914 -0.025 0.000 2.495 906 V HA 0.494 4.614 4.120 -0.000 0.000 0.298 906 V C -0.116 175.945 176.094 -0.054 0.000 1.031 906 V CA -0.745 61.545 62.300 -0.017 0.000 0.871 906 V CB 1.354 33.193 31.823 0.026 0.000 0.988 906 V HN 0.915 nan 8.190 nan 0.000 0.432 907 I N 3.488 124.032 120.570 -0.044 0.000 2.382 907 I HA 0.341 4.511 4.170 -0.000 0.000 0.286 907 I C -0.037 176.137 176.117 0.096 0.000 1.002 907 I CA -0.150 61.134 61.300 -0.027 0.000 1.135 907 I CB 1.994 39.959 38.000 -0.058 0.000 1.288 907 I HN 0.546 nan 8.210 nan 0.000 0.448 908 T N 5.467 120.051 114.554 0.050 0.000 2.744 908 T HA 0.387 4.737 4.350 -0.000 0.000 0.291 908 T C -0.302 174.461 174.700 0.105 0.000 0.957 908 T CA -0.237 61.928 62.100 0.107 0.000 1.002 908 T CB 0.328 69.227 68.868 0.051 0.000 0.919 908 T HN 0.124 nan 8.240 nan 0.000 0.468 909 Y N 3.499 123.787 120.300 -0.020 0.000 2.298 909 Y HA 0.241 4.791 4.550 -0.000 0.000 0.329 909 Y C -1.174 174.720 175.900 -0.011 0.000 1.293 909 Y CA -1.882 56.206 58.100 -0.018 0.000 1.388 909 Y CB 0.067 38.515 38.460 -0.021 0.000 1.309 909 Y HN 0.466 nan 8.280 nan 0.000 0.544 910 P HA -0.165 nan 4.420 nan 0.000 0.216 910 P C 0.506 177.842 177.300 0.059 0.000 1.150 910 P CA 1.836 64.962 63.100 0.042 0.000 0.843 910 P CB 0.298 32.012 31.700 0.024 0.000 0.787 911 D N -1.438 119.010 120.400 0.081 0.000 2.427 911 D HA 0.231 4.871 4.640 -0.000 0.000 0.224 911 D C -0.142 176.195 176.300 0.062 0.000 1.157 911 D CA -0.325 53.711 54.000 0.061 0.000 0.828 911 D CB -0.531 40.296 40.800 0.045 0.000 0.974 911 D HN -0.045 nan 8.370 nan 0.000 0.498 912 A N 0.688 123.554 122.820 0.077 0.000 2.354 912 A HA 0.400 4.720 4.320 -0.000 0.000 0.281 912 A C 0.299 177.933 177.584 0.085 0.000 1.174 912 A CA -0.216 51.865 52.037 0.073 0.000 0.828 912 A CB 0.316 19.363 19.000 0.080 0.000 1.099 912 A HN 0.208 nan 8.150 nan 0.000 0.516 913 Q N 1.067 120.936 119.800 0.115 0.000 2.204 913 Q HA 0.680 5.020 4.340 -0.000 0.000 0.254 913 Q C -1.005 175.076 176.000 0.135 0.000 0.981 913 Q CA -0.483 55.395 55.803 0.126 0.000 0.897 913 Q CB 1.876 30.712 28.738 0.163 0.000 1.273 913 Q HN 0.721 nan 8.270 nan 0.000 0.464 914 L N 1.862 123.140 121.223 0.092 0.000 2.341 914 L HA 0.683 5.023 4.340 -0.000 0.000 0.278 914 L C -0.560 176.349 176.870 0.065 0.000 1.005 914 L CA -0.920 53.973 54.840 0.088 0.000 0.818 914 L CB 1.526 43.622 42.059 0.063 0.000 1.259 914 L HN 0.466 nan 8.230 nan 0.000 0.418 915 V N 1.117 121.081 119.914 0.084 0.000 3.167 915 V HA 0.691 4.811 4.120 -0.000 0.000 0.310 915 V C -2.762 173.387 176.094 0.090 0.000 1.207 915 V CA -2.741 59.596 62.300 0.060 0.000 1.059 915 V CB 1.771 33.600 31.823 0.009 0.000 1.079 915 V HN 0.463 nan 8.190 nan 0.000 0.446 916 P HA 0.413 nan 4.420 nan 0.000 0.265 916 P C 0.056 177.391 177.300 0.058 0.000 1.193 916 P CA 0.883 64.013 63.100 0.049 0.000 0.765 916 P CB 0.552 32.306 31.700 0.089 0.000 0.823 917 G N 1.104 109.782 108.800 -0.204 0.000 3.175 917 G HA2 0.380 4.340 3.960 -0.000 0.000 0.255 917 G HA3 0.380 4.340 3.960 -0.000 0.000 0.255 917 G C 0.577 174.998 174.900 -0.797 0.000 1.352 917 G CA -0.697 44.045 45.100 -0.596 0.000 1.037 917 G HN 0.269 nan 8.290 nan 0.000 0.556 918 I N -0.109 119.783 120.570 -1.130 0.000 2.202 918 I HA 0.030 4.200 4.170 -0.000 0.000 0.242 918 I C 0.995 176.695 176.117 -0.694 0.000 1.091 918 I CA 1.154 61.807 61.300 -1.079 0.000 1.368 918 I CB -0.125 36.894 38.000 -1.634 0.000 1.058 918 I HN 0.368 nan 8.210 nan 0.000 0.410 919 N N 0.199 118.552 118.700 -0.579 0.000 2.732 919 N HA 0.449 5.189 4.740 -0.000 0.000 0.235 919 N C -0.328 174.971 175.510 -0.351 0.000 1.466 919 N CA 0.589 53.388 53.050 -0.418 0.000 0.751 919 N CB 0.370 38.691 38.487 -0.277 0.000 1.317 919 N HN 0.408 nan 8.380 nan 0.000 0.525 920 G N 1.209 109.785 108.800 -0.374 0.000 2.301 920 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.194 920 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.194 920 G C -1.407 173.359 174.900 -0.223 0.000 1.266 920 G CA -0.832 44.110 45.100 -0.263 0.000 1.210 920 G HN 0.345 nan 8.290 nan 0.000 0.524 921 K N 0.230 120.551 120.400 -0.133 0.000 2.168 921 K HA 0.794 5.114 4.320 -0.000 0.000 0.239 921 K C 0.162 176.721 176.600 -0.067 0.000 0.999 921 K CA 0.016 56.259 56.287 -0.074 0.000 0.900 921 K CB 1.912 34.405 32.500 -0.011 0.000 1.111 921 K HN 1.078 nan 8.250 nan 0.000 0.452 922 A N 1.156 123.987 122.820 0.017 0.000 2.485 922 A HA 0.633 4.953 4.320 -0.000 0.000 0.292 922 A C -0.773 176.925 177.584 0.189 0.000 1.147 922 A CA -0.886 51.209 52.037 0.097 0.000 0.750 922 A CB 0.680 19.774 19.000 0.157 0.000 1.331 922 A HN 0.632 nan 8.150 nan 0.000 0.419 923 I N 1.369 122.079 120.570 0.233 0.000 2.472 923 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 923 I C -0.053 176.235 176.117 0.286 0.000 1.016 923 I CA -0.157 61.270 61.300 0.212 0.000 1.348 923 I CB 0.910 39.005 38.000 0.158 0.000 1.417 923 I HN 0.666 nan 8.210 nan 0.000 0.521 924 H N 7.146 126.286 119.070 0.118 0.000 2.823 924 H HA 0.476 5.032 4.556 -0.000 0.000 0.332 924 H C -1.666 173.704 175.328 0.071 0.000 0.980 924 H CA -0.648 55.459 56.048 0.099 0.000 1.286 924 H CB 1.470 31.268 29.762 0.061 0.000 1.541 924 H HN 0.468 nan 8.280 nan 0.000 0.521 925 L N 6.065 127.129 121.223 -0.265 0.000 2.307 925 L HA 0.406 4.746 4.340 -0.000 0.000 0.284 925 L C 0.401 177.140 176.870 -0.217 0.000 1.023 925 L CA -1.029 53.708 54.840 -0.171 0.000 0.810 925 L CB 1.681 43.692 42.059 -0.080 0.000 1.231 925 L HN 0.344 nan 8.230 nan 0.000 0.423 926 V N -0.291 119.554 119.914 -0.116 0.000 3.177 926 V HA 0.511 4.631 4.120 -0.000 0.000 0.319 926 V C -0.127 175.933 176.094 -0.057 0.000 1.125 926 V CA -0.923 61.344 62.300 -0.054 0.000 1.029 926 V CB 1.863 33.681 31.823 -0.008 0.000 1.119 926 V HN 0.716 nan 8.190 nan 0.000 0.452 927 N N 2.738 121.400 118.700 -0.064 0.000 3.124 927 N HA 0.295 5.035 4.740 -0.000 0.000 0.284 927 N C -0.724 174.741 175.510 -0.075 0.000 1.209 927 N CA -0.052 52.938 53.050 -0.099 0.000 1.149 927 N CB -1.166 37.223 38.487 -0.163 0.000 1.434 927 N HN 1.051 nan 8.380 nan 0.000 0.529 928 N N -1.747 116.918 118.700 -0.058 0.000 2.708 928 N HA 0.167 4.907 4.740 -0.000 0.000 0.257 928 N C 0.330 175.810 175.510 -0.050 0.000 1.373 928 N CA -0.800 52.223 53.050 -0.045 0.000 0.843 928 N CB 0.678 39.150 38.487 -0.025 0.000 1.503 928 N HN 0.108 nan 8.380 nan 0.000 0.504 929 E N -0.579 119.593 120.200 -0.047 0.000 2.265 929 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 929 E C 0.389 176.965 176.600 -0.040 0.000 0.996 929 E CA 1.047 57.410 56.400 -0.062 0.000 0.832 929 E CB -0.212 29.458 29.700 -0.051 0.000 0.756 929 E HN 0.702 nan 8.360 nan 0.000 0.491 930 E N 0.777 120.984 120.200 0.012 0.000 2.435 930 E HA 0.019 4.369 4.350 -0.000 0.000 0.195 930 E C 0.265 176.909 176.600 0.072 0.000 1.029 930 E CA 0.067 56.518 56.400 0.085 0.000 0.865 930 E CB 0.340 30.087 29.700 0.079 0.000 0.833 930 E HN 0.012 nan 8.360 nan 0.000 0.510 931 S N 1.360 117.061 115.700 0.002 0.000 2.592 931 S HA 0.126 4.596 4.470 -0.000 0.000 0.305 931 S C -0.675 173.892 174.600 -0.054 0.000 1.118 931 S CA -0.349 57.849 58.200 -0.004 0.000 1.075 931 S CB -0.053 63.137 63.200 -0.016 0.000 1.107 931 S HN 0.266 nan 8.310 nan 0.000 0.503 932 E N 2.882 123.054 120.200 -0.046 0.000 2.396 932 E HA 0.470 4.820 4.350 -0.000 0.000 0.280 932 E C -2.056 174.515 176.600 -0.048 0.000 1.065 932 E CA -0.845 55.476 56.400 -0.131 0.000 0.831 932 E CB 1.332 30.835 29.700 -0.328 0.000 1.272 932 E HN 0.311 nan 8.360 nan 0.000 0.443 933 V N 3.690 123.573 119.914 -0.053 0.000 2.525 933 V HA 0.462 4.582 4.120 -0.000 0.000 0.299 933 V C -0.342 175.737 176.094 -0.025 0.000 1.034 933 V CA -0.534 61.775 62.300 0.014 0.000 0.863 933 V CB 1.345 33.176 31.823 0.012 0.000 0.999 933 V HN 0.563 nan 8.190 nan 0.000 0.423 934 I N 4.753 125.346 120.570 0.039 0.000 2.441 934 I HA 0.540 4.710 4.170 -0.000 0.000 0.295 934 I C -0.602 175.552 176.117 0.061 0.000 0.994 934 I CA -0.998 60.324 61.300 0.037 0.000 1.144 934 I CB 2.187 40.250 38.000 0.104 0.000 1.314 934 I HN 0.251 nan 8.210 nan 0.000 0.445 935 V N 5.298 125.252 119.914 0.067 0.000 2.334 935 V HA 0.241 4.361 4.120 -0.000 0.000 0.281 935 V C -0.074 176.122 176.094 0.169 0.000 1.016 935 V CA -0.568 61.789 62.300 0.095 0.000 0.832 935 V CB 0.632 32.506 31.823 0.085 0.000 0.999 935 V HN 0.624 nan 8.190 nan 0.000 0.439 936 H N 4.377 123.450 119.070 0.005 0.000 2.934 936 H HA 0.239 4.795 4.556 -0.000 0.000 0.273 936 H C 0.163 175.486 175.328 -0.009 0.000 1.121 936 H CA -0.570 55.472 56.048 -0.010 0.000 1.451 936 H CB 0.858 30.620 29.762 -0.001 0.000 1.469 936 H HN 0.530 nan 8.280 nan 0.000 0.476 937 K N 2.245 122.674 120.400 0.048 0.000 2.451 937 K HA 0.139 4.459 4.320 -0.000 0.000 0.280 937 K C 0.213 176.812 176.600 -0.003 0.000 1.020 937 K CA -0.446 55.843 56.287 0.002 0.000 1.008 937 K CB 0.705 33.161 32.500 -0.073 0.000 0.917 937 K HN 0.577 nan 8.250 nan 0.000 0.478 938 A N 4.077 126.911 122.820 0.023 0.000 2.445 938 A HA -0.007 4.313 4.320 -0.000 0.000 0.242 938 A C 1.476 179.053 177.584 -0.012 0.000 1.075 938 A CA -0.101 51.961 52.037 0.041 0.000 0.777 938 A CB 0.255 19.321 19.000 0.110 0.000 1.013 938 A HN 0.905 nan 8.150 nan 0.000 0.493 939 M N 0.497 120.096 119.600 -0.001 0.000 2.226 939 M HA -0.226 4.254 4.480 -0.000 0.000 0.257 939 M C 1.225 177.516 176.300 -0.015 0.000 1.070 939 M CA 2.334 57.619 55.300 -0.026 0.000 1.087 939 M CB -0.757 31.855 32.600 0.020 0.000 1.278 939 M HN 0.828 nan 8.290 nan 0.000 0.426 940 D N 0.358 120.793 120.400 0.058 0.000 2.280 940 D HA -0.161 4.479 4.640 -0.000 0.000 0.206 940 D C 1.440 177.742 176.300 0.004 0.000 0.988 940 D CA 1.379 55.438 54.000 0.098 0.000 0.886 940 D CB -0.346 40.604 40.800 0.251 0.000 0.914 940 D HN 0.675 nan 8.370 nan 0.000 0.473 941 I N -3.852 116.665 120.570 -0.089 0.000 4.147 941 I HA 0.252 4.422 4.170 -0.000 0.000 0.329 941 I C 1.395 177.412 176.117 -0.167 0.000 1.424 941 I CA -0.355 60.839 61.300 -0.177 0.000 1.127 941 I CB 0.353 38.169 38.000 -0.306 0.000 1.128 941 I HN -0.318 nan 8.210 nan 0.000 0.417 942 E N 1.697 121.763 120.200 -0.223 0.000 2.082 942 E HA -0.257 4.093 4.350 -0.000 0.000 0.215 942 E C 0.516 176.807 176.600 -0.514 0.000 1.048 942 E CA 2.512 58.636 56.400 -0.459 0.000 0.869 942 E CB -0.262 28.963 29.700 -0.792 0.000 0.773 942 E HN 0.749 nan 8.360 nan 0.000 0.466 943 Y N -0.312 119.956 120.300 -0.052 0.000 2.708 943 Y HA 0.239 4.789 4.550 -0.000 0.000 0.287 943 Y C 1.218 177.073 175.900 -0.075 0.000 1.145 943 Y CA -0.579 57.478 58.100 -0.073 0.000 1.249 943 Y CB 0.126 38.555 38.460 -0.051 0.000 1.152 943 Y HN 0.076 nan 8.280 nan 0.000 0.532 944 N N 0.872 119.577 118.700 0.008 0.000 2.309 944 N HA -0.146 4.594 4.740 -0.000 0.000 0.182 944 N C 0.720 176.211 175.510 -0.031 0.000 1.018 944 N CA 1.375 54.425 53.050 0.000 0.000 0.876 944 N CB -0.011 38.451 38.487 -0.042 0.000 0.972 944 N HN 0.514 nan 8.380 nan 0.000 0.434 945 D N 0.276 120.595 120.400 -0.136 0.000 2.427 945 D HA 0.002 4.642 4.640 -0.000 0.000 0.224 945 D C 1.407 177.619 176.300 -0.146 0.000 1.157 945 D CA -0.191 53.655 54.000 -0.256 0.000 0.828 945 D CB -0.195 40.087 40.800 -0.863 0.000 0.974 945 D HN 0.188 nan 8.370 nan 0.000 0.498 946 M N -0.738 118.769 119.600 -0.155 0.000 2.077 946 M HA -0.021 4.459 4.480 -0.000 0.000 0.261 946 M C 0.322 176.264 176.300 -0.597 0.000 1.070 946 M CA 1.730 56.782 55.300 -0.412 0.000 1.125 946 M CB 0.071 32.352 32.600 -0.533 0.000 1.339 946 M HN 0.035 nan 8.290 nan 0.000 0.409 947 F N -1.117 118.885 119.950 0.087 0.000 2.834 947 F HA 0.290 4.817 4.527 0.000 0.000 0.332 947 F C 0.288 176.162 175.800 0.123 0.000 1.056 947 F CA -0.865 57.192 58.000 0.095 0.000 1.178 947 F CB -0.209 38.830 39.000 0.064 0.000 1.037 947 F HN 0.014 nan 8.300 nan 0.000 0.580 948 N N 1.146 120.008 118.700 0.271 0.000 2.463 948 N HA 0.127 4.867 4.740 -0.000 0.000 0.270 948 N C -0.440 175.254 175.510 0.306 0.000 1.205 948 N CA -0.357 52.839 53.050 0.245 0.000 0.974 948 N CB 0.296 38.899 38.487 0.192 0.000 1.197 948 N HN 0.160 nan 8.380 nan 0.000 0.504 949 N N -0.073 118.775 118.700 0.247 0.000 2.492 949 N HA 0.249 4.989 4.740 -0.000 0.000 0.260 949 N C -0.762 174.941 175.510 0.321 0.000 1.215 949 N CA 0.071 53.257 53.050 0.226 0.000 0.923 949 N CB 0.370 38.921 38.487 0.106 0.000 1.092 949 N HN 0.424 nan 8.380 nan 0.000 0.448 950 F N -1.623 118.356 119.950 0.048 0.000 2.685 950 F HA 0.632 5.159 4.527 -0.000 0.000 0.315 950 F C -1.038 174.746 175.800 -0.027 0.000 1.126 950 F CA -0.928 57.092 58.000 0.032 0.000 0.950 950 F CB 1.300 40.329 39.000 0.049 0.000 1.360 950 F HN 0.092 nan 8.300 nan 0.000 0.469 951 T N 1.656 116.204 114.554 -0.010 0.000 2.921 951 T HA 0.629 4.979 4.350 -0.000 0.000 0.297 951 T C -1.449 173.234 174.700 -0.027 0.000 1.013 951 T CA -0.610 61.391 62.100 -0.165 0.000 0.990 951 T CB 1.922 70.717 68.868 -0.123 0.000 1.023 951 T HN 0.628 nan 8.240 nan 0.000 0.447 952 V N 3.469 123.228 119.914 -0.258 0.000 2.459 952 V HA 0.798 4.918 4.120 -0.000 0.000 0.295 952 V C -0.073 175.880 176.094 -0.234 0.000 1.029 952 V CA -0.610 61.544 62.300 -0.242 0.000 0.874 952 V CB 1.776 33.400 31.823 -0.332 0.000 0.985 952 V HN 1.081 nan 8.190 nan 0.000 0.438 953 S N 4.414 120.011 115.700 -0.171 0.000 2.569 953 S HA 0.981 5.451 4.470 -0.000 0.000 0.280 953 S C -1.009 173.569 174.600 -0.037 0.000 1.111 953 S CA -0.710 57.340 58.200 -0.250 0.000 0.887 953 S CB 2.292 65.454 63.200 -0.063 0.000 1.095 953 S HN 1.040 nan 8.310 nan 0.000 0.476 954 F N -2.990 116.801 119.950 -0.265 0.000 2.746 954 F HA 0.674 5.201 4.527 -0.000 0.000 0.311 954 F C -2.074 173.755 175.800 0.049 0.000 1.135 954 F CA -1.823 56.217 58.000 0.067 0.000 0.954 954 F CB 0.097 39.258 39.000 0.268 0.000 1.276 954 F HN 0.653 nan 8.300 nan 0.000 0.440 955 W N 3.085 124.633 121.300 0.412 0.000 2.272 955 W HA 0.672 5.332 4.660 -0.000 0.000 0.318 955 W C -0.782 176.148 176.519 0.686 0.000 1.255 955 W CA -0.416 57.208 57.345 0.465 0.000 1.200 955 W CB 1.573 31.196 29.460 0.272 0.000 1.170 955 W HN 0.619 nan 8.180 nan 0.000 0.549 956 L N 3.910 125.620 121.223 0.812 0.000 2.381 956 L HA 0.607 4.947 4.340 -0.000 0.000 0.268 956 L C -0.937 176.134 176.870 0.334 0.000 0.997 956 L CA -1.274 53.933 54.840 0.612 0.000 0.818 956 L CB 1.799 44.133 42.059 0.460 0.000 1.310 956 L HN 0.462 nan 8.230 nan 0.000 0.416 957 R N 3.858 124.339 120.500 -0.030 0.000 2.483 957 R HA 0.759 5.099 4.340 -0.000 0.000 0.303 957 R C -2.015 174.224 176.300 -0.102 0.000 0.987 957 R CA -0.514 55.392 56.100 -0.324 0.000 0.881 957 R CB 1.663 31.259 30.300 -1.173 0.000 1.177 957 R HN 0.564 nan 8.270 nan 0.000 0.451 958 V N 6.300 126.200 119.914 -0.023 0.000 2.555 958 V HA 0.486 4.606 4.120 -0.000 0.000 0.302 958 V C -2.041 174.024 176.094 -0.049 0.000 1.038 958 V CA -2.080 60.214 62.300 -0.011 0.000 0.887 958 V CB 1.873 33.720 31.823 0.039 0.000 0.991 958 V HN 0.754 nan 8.190 nan 0.000 0.434 959 P HA 0.089 nan 4.420 nan 0.000 0.269 959 P C -0.603 176.628 177.300 -0.115 0.000 1.215 959 P CA -0.404 62.613 63.100 -0.138 0.000 0.780 959 P CB 0.807 32.333 31.700 -0.290 0.000 0.898 960 K N 1.705 122.027 120.400 -0.131 0.000 2.451 960 K HA 0.136 4.456 4.320 -0.000 0.000 0.280 960 K C -0.514 175.973 176.600 -0.187 0.000 1.020 960 K CA -0.328 55.831 56.287 -0.214 0.000 1.008 960 K CB 0.154 32.336 32.500 -0.530 0.000 0.917 960 K HN 0.166 nan 8.250 nan 0.000 0.478 961 V N 4.514 124.358 119.914 -0.117 0.000 2.555 961 V HA 0.003 4.123 4.120 -0.000 0.000 0.286 961 V C 0.476 176.525 176.094 -0.075 0.000 1.044 961 V CA -0.381 61.896 62.300 -0.039 0.000 1.026 961 V CB 1.004 32.849 31.823 0.035 0.000 0.981 961 V HN 0.989 nan 8.190 nan 0.000 0.480 962 S N 4.411 120.067 115.700 -0.073 0.000 2.584 962 S HA 0.364 4.834 4.470 -0.000 0.000 0.270 962 S C 1.346 175.909 174.600 -0.061 0.000 1.346 962 S CA 0.022 58.135 58.200 -0.145 0.000 1.018 962 S CB 1.350 64.378 63.200 -0.287 0.000 0.899 962 S HN 1.058 nan 8.310 nan 0.000 0.542 963 A N 2.400 125.183 122.820 -0.062 0.000 1.933 963 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 963 A C 2.355 179.951 177.584 0.020 0.000 1.175 963 A CA 1.801 53.852 52.037 0.024 0.000 0.628 963 A CB -1.489 17.561 19.000 0.083 0.000 0.814 963 A HN 0.887 nan 8.150 nan 0.000 0.444 964 S N -0.801 114.879 115.700 -0.034 0.000 2.382 964 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 964 S C 1.665 176.314 174.600 0.080 0.000 1.027 964 S CA 1.407 59.597 58.200 -0.016 0.000 0.991 964 S CB -0.591 62.562 63.200 -0.078 0.000 0.823 964 S HN 0.826 nan 8.310 nan 0.000 0.469 965 H N 0.450 119.552 119.070 0.054 0.000 2.462 965 H HA 0.168 4.724 4.556 -0.000 0.000 0.292 965 H C 1.870 177.273 175.328 0.125 0.000 1.049 965 H CA 0.577 56.714 56.048 0.147 0.000 1.334 965 H CB -0.035 29.831 29.762 0.174 0.000 1.404 965 H HN 0.235 nan 8.280 nan 0.000 0.544 966 L N 0.506 121.837 121.223 0.179 0.000 2.109 966 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 966 L C 2.130 179.046 176.870 0.078 0.000 1.086 966 L CA 1.127 56.040 54.840 0.122 0.000 0.760 966 L CB -0.158 41.956 42.059 0.091 0.000 0.910 966 L HN 0.370 nan 8.230 nan 0.000 0.437 967 E N -0.336 119.895 120.200 0.051 0.000 2.106 967 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 967 E C 2.123 178.694 176.600 -0.048 0.000 0.984 967 E CA 0.987 57.392 56.400 0.008 0.000 0.806 967 E CB -0.021 29.681 29.700 0.003 0.000 0.750 967 E HN 0.574 nan 8.360 nan 0.000 0.458 968 Q N -0.263 119.472 119.800 -0.109 0.000 2.008 968 Q HA -0.073 4.267 4.340 -0.000 0.000 0.196 968 Q C 0.963 176.714 176.000 -0.415 0.000 0.973 968 Q CA 1.152 56.736 55.803 -0.365 0.000 0.826 968 Q CB 0.132 28.434 28.738 -0.727 0.000 0.894 968 Q HN 0.337 nan 8.270 nan 0.000 0.439 969 Y N -1.017 119.296 120.300 0.021 0.000 2.555 969 Y HA 0.293 4.843 4.550 0.000 0.000 0.259 969 Y C 1.684 177.604 175.900 0.034 0.000 1.179 969 Y CA -0.063 58.039 58.100 0.003 0.000 1.230 969 Y CB 0.073 38.502 38.460 -0.052 0.000 1.146 969 Y HN 0.147 nan 8.280 nan 0.000 0.526 970 G N 0.207 109.089 108.800 0.137 0.000 2.479 970 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 970 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 970 G C 1.512 176.467 174.900 0.092 0.000 1.115 970 G CA 1.719 46.885 45.100 0.110 0.000 0.757 970 G HN 0.443 nan 8.290 nan 0.000 0.560 971 T N -2.622 111.982 114.554 0.082 0.000 3.134 971 T HA 0.204 4.554 4.350 -0.000 0.000 0.260 971 T C 0.472 175.224 174.700 0.087 0.000 1.027 971 T CA -0.454 61.686 62.100 0.067 0.000 0.913 971 T CB 0.085 68.978 68.868 0.042 0.000 1.046 971 T HN 0.106 nan 8.240 nan 0.000 0.553 972 N N 2.534 121.314 118.700 0.133 0.000 2.437 972 N HA 0.165 4.905 4.740 -0.000 0.000 0.243 972 N C -0.733 174.888 175.510 0.185 0.000 1.041 972 N CA -0.382 52.761 53.050 0.155 0.000 0.940 972 N CB 0.948 39.551 38.487 0.195 0.000 1.133 972 N HN 0.484 nan 8.380 nan 0.000 0.506 973 E N 3.456 123.735 120.200 0.131 0.000 2.229 973 E HA 0.165 4.515 4.350 -0.000 0.000 0.283 973 E C -1.232 175.461 176.600 0.155 0.000 1.030 973 E CA -0.576 55.882 56.400 0.097 0.000 0.836 973 E CB 0.396 30.119 29.700 0.038 0.000 1.068 973 E HN 0.624 nan 8.360 nan 0.000 0.401 974 Y N 1.021 121.319 120.300 -0.003 0.000 2.421 974 Y HA 0.511 5.061 4.550 0.000 0.000 0.339 974 Y C -0.541 175.354 175.900 -0.009 0.000 0.996 974 Y CA -1.230 56.858 58.100 -0.019 0.000 1.046 974 Y CB 0.905 39.339 38.460 -0.045 0.000 1.226 974 Y HN 0.179 nan 8.280 nan 0.000 0.445 975 S N 2.892 118.605 115.700 0.021 0.000 2.600 975 S HA 0.374 4.844 4.470 -0.000 0.000 0.265 975 S C 0.955 175.565 174.600 0.016 0.000 1.325 975 S CA 0.130 58.312 58.200 -0.029 0.000 1.002 975 S CB 0.461 63.651 63.200 -0.016 0.000 0.921 975 S HN 0.870 nan 8.310 nan 0.000 0.554 976 I N -2.322 118.241 120.570 -0.013 0.000 4.922 976 I HA 0.486 4.656 4.170 -0.000 0.000 0.331 976 I C -0.539 175.545 176.117 -0.055 0.000 1.260 976 I CA -0.021 61.280 61.300 0.001 0.000 1.366 976 I CB 0.342 38.346 38.000 0.008 0.000 1.386 976 I HN 0.303 nan 8.210 nan 0.000 0.483 977 I N 1.288 121.835 120.570 -0.037 0.000 2.571 977 I HA 0.568 4.738 4.170 -0.000 0.000 0.289 977 I C -0.865 175.260 176.117 0.013 0.000 1.115 977 I CA -0.591 60.677 61.300 -0.052 0.000 1.045 977 I CB 2.047 40.028 38.000 -0.031 0.000 1.238 977 I HN 0.105 nan 8.210 nan 0.000 0.424 978 S N 2.473 118.062 115.700 -0.185 0.000 2.547 978 S HA 0.445 4.915 4.470 -0.000 0.000 0.270 978 S C 0.056 174.250 174.600 -0.676 0.000 1.150 978 S CA -0.121 57.853 58.200 -0.378 0.000 0.850 978 S CB 1.976 65.036 63.200 -0.233 0.000 1.118 978 S HN 0.750 nan 8.310 nan 0.000 0.461 979 S N 2.744 117.849 115.700 -0.992 0.000 2.578 979 S HA 0.427 4.897 4.470 -0.000 0.000 0.231 979 S C 0.244 174.543 174.600 -0.502 0.000 0.994 979 S CA -0.454 57.243 58.200 -0.837 0.000 0.956 979 S CB -0.358 62.102 63.200 -1.232 0.000 0.870 979 S HN 0.628 nan 8.310 nan 0.000 0.494 980 M N 1.939 121.307 119.600 -0.387 0.000 2.274 980 M HA 0.420 4.900 4.480 -0.000 0.000 0.344 980 M C 0.170 176.365 176.300 -0.174 0.000 1.161 980 M CA -0.273 54.880 55.300 -0.245 0.000 1.126 980 M CB 1.124 33.607 32.600 -0.196 0.000 1.522 980 M HN 0.013 nan 8.290 nan 0.000 0.461 981 K N 1.050 121.371 120.400 -0.131 0.000 2.107 981 K HA 0.293 4.613 4.320 -0.000 0.000 0.251 981 K C 0.455 177.010 176.600 -0.075 0.000 1.012 981 K CA -0.424 55.808 56.287 -0.091 0.000 0.920 981 K CB 0.906 33.361 32.500 -0.075 0.000 1.033 981 K HN 0.462 nan 8.250 nan 0.000 0.478 982 K N -0.195 120.178 120.400 -0.044 0.000 2.726 982 K HA 0.061 4.381 4.320 -0.000 0.000 0.189 982 K C 0.176 176.680 176.600 -0.160 0.000 1.691 982 K CA 0.394 56.623 56.287 -0.096 0.000 1.250 982 K CB 0.597 33.040 32.500 -0.095 0.000 1.705 982 K HN 0.556 nan 8.250 nan 0.000 0.606 983 H N 0.404 119.444 119.070 -0.050 0.000 2.524 983 H HA 0.277 4.833 4.556 -0.000 0.000 0.297 983 H C 0.167 175.474 175.328 -0.035 0.000 1.115 983 H CA 0.073 56.097 56.048 -0.039 0.000 1.027 983 H CB 0.794 30.534 29.762 -0.037 0.000 1.591 983 H HN 0.065 nan 8.280 nan 0.000 0.543 984 S N 0.502 116.218 115.700 0.027 0.000 2.911 984 S HA 0.439 4.909 4.470 -0.000 0.000 0.319 984 S C -1.583 173.004 174.600 -0.022 0.000 1.154 984 S CA -0.758 57.445 58.200 0.005 0.000 0.857 984 S CB 1.546 64.744 63.200 -0.004 0.000 1.279 984 S HN 0.109 nan 8.310 nan 0.000 0.593 985 L N 2.105 123.315 121.223 -0.023 0.000 2.353 985 L HA 0.687 5.027 4.340 -0.000 0.000 0.270 985 L C 0.209 177.060 176.870 -0.032 0.000 1.003 985 L CA 0.345 55.166 54.840 -0.032 0.000 0.862 985 L CB 0.938 42.977 42.059 -0.033 0.000 1.221 985 L HN 0.793 nan 8.230 nan 0.000 0.430 986 S N 2.795 118.470 115.700 -0.041 0.000 3.627 986 S HA 0.464 4.934 4.470 -0.000 0.000 0.190 986 S C 0.676 175.245 174.600 -0.051 0.000 0.880 986 S CA 0.348 58.521 58.200 -0.045 0.000 0.894 986 S CB 0.343 63.512 63.200 -0.052 0.000 1.095 986 S HN 0.527 nan 8.310 nan 0.000 0.655 987 I N 0.801 121.333 120.570 -0.063 0.000 5.459 987 I HA -0.123 4.047 4.170 -0.000 0.000 0.237 987 I C 0.152 176.226 176.117 -0.071 0.000 1.813 987 I CA 0.289 61.548 61.300 -0.067 0.000 2.037 987 I CB -1.329 36.637 38.000 -0.056 0.000 3.345 987 I HN 0.719 nan 8.210 nan 0.000 0.169 988 G N 1.887 110.637 108.800 -0.082 0.000 2.289 988 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.280 988 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.280 988 G C 0.093 174.934 174.900 -0.098 0.000 1.089 988 G CA 0.732 45.773 45.100 -0.099 0.000 0.939 988 G HN 1.030 nan 8.290 nan 0.000 0.499 989 S N -0.163 115.484 115.700 -0.088 0.000 2.549 989 S HA 0.753 5.223 4.470 -0.000 0.000 0.279 989 S C 1.087 175.618 174.600 -0.115 0.000 1.321 989 S CA 1.477 59.629 58.200 -0.079 0.000 1.054 989 S CB 1.069 64.232 63.200 -0.062 0.000 0.899 989 S HN 2.318 nan 8.310 nan 0.000 0.497 990 G N 3.988 112.725 108.800 -0.105 0.000 2.291 990 G HA2 0.125 4.085 3.960 -0.000 0.000 0.249 990 G HA3 0.125 4.085 3.960 -0.000 0.000 0.249 990 G C -1.188 173.654 174.900 -0.096 0.000 1.340 990 G CA -0.246 44.755 45.100 -0.164 0.000 1.017 990 G HN 1.009 nan 8.290 nan 0.000 0.470 991 W N -0.147 121.063 121.300 -0.151 0.000 2.992 991 W HA 0.834 5.494 4.660 -0.000 0.000 0.342 991 W C -0.171 176.178 176.519 -0.282 0.000 1.176 991 W CA -0.611 56.542 57.345 -0.320 0.000 1.118 991 W CB 1.345 30.587 29.460 -0.365 0.000 1.457 991 W HN 1.609 nan 8.180 nan 0.000 0.573 992 S N -0.330 115.391 115.700 0.035 0.000 2.542 992 S HA 0.491 4.961 4.470 -0.000 0.000 0.276 992 S C -1.791 172.937 174.600 0.213 0.000 1.148 992 S CA -0.805 57.484 58.200 0.147 0.000 0.886 992 S CB 1.627 64.807 63.200 -0.034 0.000 1.109 992 S HN 0.468 nan 8.310 nan 0.000 0.458 993 V N 3.268 123.399 119.914 0.361 0.000 2.350 993 V HA 0.766 4.885 4.120 -0.000 0.000 0.276 993 V C 0.307 176.486 176.094 0.141 0.000 1.028 993 V CA 0.061 62.580 62.300 0.365 0.000 0.860 993 V CB 0.654 32.725 31.823 0.412 0.000 0.990 993 V HN 1.137 nan 8.190 nan 0.000 0.453 994 S N 5.817 121.564 115.700 0.078 0.000 2.632 994 S HA 0.867 5.337 4.470 -0.000 0.000 0.289 994 S C -1.065 173.446 174.600 -0.150 0.000 1.115 994 S CA -0.924 57.224 58.200 -0.087 0.000 0.889 994 S CB 1.990 65.141 63.200 -0.081 0.000 1.116 994 S HN 0.390 nan 8.310 nan 0.000 0.486 995 L N 0.899 121.869 121.223 -0.422 0.000 2.342 995 L HA 0.685 5.025 4.340 -0.000 0.000 0.271 995 L C -0.331 176.369 176.870 -0.283 0.000 1.008 995 L CA -0.595 54.018 54.840 -0.379 0.000 0.818 995 L CB 2.053 43.765 42.059 -0.579 0.000 1.296 995 L HN 0.829 nan 8.230 nan 0.000 0.427 996 K N 2.065 122.424 120.400 -0.067 0.000 2.761 996 K HA 0.440 4.760 4.320 -0.000 0.000 0.257 996 K C 0.114 176.753 176.600 0.065 0.000 1.053 996 K CA 0.347 56.651 56.287 0.028 0.000 1.035 996 K CB 1.106 33.620 32.500 0.023 0.000 1.267 996 K HN 0.802 nan 8.250 nan 0.000 0.505 997 G N 3.795 112.663 108.800 0.112 0.000 2.596 997 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.304 997 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.304 997 G C 0.131 175.079 174.900 0.079 0.000 1.189 997 G CA 0.423 45.584 45.100 0.103 0.000 0.986 997 G HN 0.717 nan 8.290 nan 0.000 0.548 998 N N 2.171 120.906 118.700 0.058 0.000 2.376 998 N HA 0.226 4.966 4.740 -0.000 0.000 0.249 998 N C -0.516 175.018 175.510 0.039 0.000 1.140 998 N CA -0.258 52.823 53.050 0.051 0.000 0.870 998 N CB 0.051 38.560 38.487 0.036 0.000 1.124 998 N HN 0.343 nan 8.380 nan 0.000 0.505 999 N N 1.195 119.922 118.700 0.046 0.000 2.362 999 N HA 0.240 4.980 4.740 -0.000 0.000 0.298 999 N C -1.294 174.279 175.510 0.105 0.000 1.048 999 N CA -0.531 52.551 53.050 0.052 0.000 0.858 999 N CB 2.468 40.973 38.487 0.031 0.000 1.218 999 N HN 0.041 nan 8.380 nan 0.000 0.488 1000 L N 3.045 124.393 121.223 0.208 0.000 2.272 1000 L HA 0.585 4.925 4.340 -0.000 0.000 0.289 1000 L C -0.961 176.027 176.870 0.196 0.000 1.032 1000 L CA -0.314 54.650 54.840 0.205 0.000 0.810 1000 L CB 0.482 42.692 42.059 0.252 0.000 1.205 1000 L HN 0.454 nan 8.230 nan 0.000 0.422 1001 I N 5.292 125.957 120.570 0.157 0.000 2.436 1001 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 1001 I C -1.175 175.096 176.117 0.256 0.000 1.010 1001 I CA -0.460 60.942 61.300 0.169 0.000 1.098 1001 I CB 1.645 39.698 38.000 0.088 0.000 1.266 1001 I HN 0.670 nan 8.210 nan 0.000 0.434 1002 W N 7.220 128.557 121.300 0.062 0.000 2.391 1002 W HA 0.562 5.222 4.660 0.000 0.000 0.311 1002 W C -0.959 175.612 176.519 0.086 0.000 1.087 1002 W CA -0.513 56.878 57.345 0.077 0.000 1.209 1002 W CB 1.830 31.307 29.460 0.028 0.000 1.273 1002 W HN 0.510 nan 8.180 nan 0.000 0.482 1003 T N 6.129 120.403 114.554 -0.466 0.000 2.916 1003 T HA 0.622 4.972 4.350 -0.000 0.000 0.298 1003 T C -1.534 172.857 174.700 -0.515 0.000 1.031 1003 T CA -0.614 61.263 62.100 -0.372 0.000 0.993 1003 T CB 1.340 70.120 68.868 -0.146 0.000 1.045 1003 T HN 0.445 nan 8.240 nan 0.000 0.454 1004 L N 3.355 124.400 121.223 -0.297 0.000 2.365 1004 L HA 0.699 5.039 4.340 -0.000 0.000 0.273 1004 L C -0.341 176.498 176.870 -0.051 0.000 1.000 1004 L CA -0.942 53.814 54.840 -0.138 0.000 0.819 1004 L CB 2.212 44.271 42.059 0.001 0.000 1.284 1004 L HN 0.666 nan 8.230 nan 0.000 0.418 1005 K N 2.155 122.539 120.400 -0.026 0.000 2.482 1005 K HA 0.336 4.656 4.320 -0.000 0.000 0.251 1005 K C -1.513 175.083 176.600 -0.007 0.000 0.936 1005 K CA -0.645 55.629 56.287 -0.022 0.000 0.791 1005 K CB 2.006 34.478 32.500 -0.047 0.000 1.213 1005 K HN 0.652 nan 8.250 nan 0.000 0.428 1006 D N 1.463 121.866 120.400 0.005 0.000 2.529 1006 D HA 0.152 4.792 4.640 -0.000 0.000 0.273 1006 D C 0.587 176.884 176.300 -0.005 0.000 1.197 1006 D CA -0.454 53.551 54.000 0.008 0.000 1.070 1006 D CB 0.741 41.562 40.800 0.035 0.000 1.134 1006 D HN 0.310 nan 8.370 nan 0.000 0.590 1007 S N -1.032 114.666 115.700 -0.004 0.000 2.387 1007 S HA -0.150 4.320 4.470 -0.000 0.000 0.230 1007 S C 1.704 176.303 174.600 -0.002 0.000 1.035 1007 S CA 1.572 59.769 58.200 -0.006 0.000 1.014 1007 S CB -0.547 62.658 63.200 0.008 0.000 0.836 1007 S HN 0.655 nan 8.310 nan 0.000 0.466 1008 A N -0.382 122.442 122.820 0.007 0.000 2.275 1008 A HA 0.511 4.831 4.320 -0.000 0.000 0.212 1008 A C 1.560 179.144 177.584 0.000 0.000 1.201 1008 A CA 0.834 52.875 52.037 0.006 0.000 0.843 1008 A CB -0.504 18.506 19.000 0.015 0.000 0.873 1008 A HN 0.901 nan 8.150 nan 0.000 0.492 1009 G N -0.545 108.252 108.800 -0.005 0.000 2.141 1009 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.242 1009 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.242 1009 G C 0.007 174.905 174.900 -0.004 0.000 0.982 1009 G CA 0.406 45.500 45.100 -0.010 0.000 0.662 1009 G HN 0.646 nan 8.290 nan 0.000 0.527 1010 E N -0.100 120.103 120.200 0.005 0.000 2.366 1010 E HA 0.623 4.973 4.350 -0.000 0.000 0.266 1010 E C 0.057 176.661 176.600 0.007 0.000 1.051 1010 E CA -0.273 56.133 56.400 0.010 0.000 0.884 1010 E CB 1.347 31.060 29.700 0.021 0.000 1.006 1010 E HN 0.389 nan 8.360 nan 0.000 0.417 1011 V N 4.951 124.869 119.914 0.006 0.000 2.925 1011 V HA 0.579 4.699 4.120 -0.000 0.000 0.311 1011 V C -0.722 175.377 176.094 0.009 0.000 1.104 1011 V CA -0.943 61.356 62.300 -0.001 0.000 0.954 1011 V CB 2.116 33.931 31.823 -0.013 0.000 1.022 1011 V HN 0.589 nan 8.190 nan 0.000 0.427 1012 R N 3.122 123.627 120.500 0.009 0.000 2.621 1012 R HA 0.669 5.009 4.340 -0.000 0.000 0.292 1012 R C -1.116 175.196 176.300 0.020 0.000 0.969 1012 R CA -0.620 55.497 56.100 0.028 0.000 0.887 1012 R CB 2.281 32.614 30.300 0.055 0.000 1.180 1012 R HN 0.739 nan 8.270 nan 0.000 0.450 1013 Q N 2.027 121.854 119.800 0.044 0.000 2.389 1013 Q HA 0.556 4.896 4.340 -0.000 0.000 0.277 1013 Q C -0.633 175.433 176.000 0.110 0.000 1.082 1013 Q CA -0.810 55.031 55.803 0.062 0.000 0.810 1013 Q CB 3.154 31.915 28.738 0.039 0.000 1.374 1013 Q HN 0.473 nan 8.270 nan 0.000 0.422 1014 I N 1.491 122.166 120.570 0.176 0.000 2.362 1014 I HA 0.297 4.467 4.170 -0.000 0.000 0.289 1014 I C -0.421 175.787 176.117 0.151 0.000 0.994 1014 I CA -0.393 61.002 61.300 0.158 0.000 1.158 1014 I CB 1.849 39.952 38.000 0.172 0.000 1.315 1014 I HN 0.408 nan 8.210 nan 0.000 0.451 1015 T N 6.714 121.334 114.554 0.110 0.000 2.801 1015 T HA 0.289 4.639 4.350 -0.000 0.000 0.306 1015 T C -0.519 174.250 174.700 0.115 0.000 1.020 1015 T CA -0.261 61.899 62.100 0.100 0.000 0.948 1015 T CB 0.140 69.040 68.868 0.052 0.000 0.962 1015 T HN 0.242 nan 8.240 nan 0.000 0.465 1016 F N 4.880 124.839 119.950 0.016 0.000 2.411 1016 F HA 0.432 4.959 4.527 0.000 0.000 0.355 1016 F C 0.387 176.200 175.800 0.023 0.000 1.117 1016 F CA -1.153 56.848 58.000 0.001 0.000 1.139 1016 F CB 0.481 39.467 39.000 -0.024 0.000 1.120 1016 F HN 0.319 nan 8.300 nan 0.000 0.493 1017 R N 4.761 124.812 120.500 -0.749 0.000 2.229 1017 R HA 0.164 4.504 4.340 -0.000 0.000 0.332 1017 R C -0.713 175.062 176.300 -0.876 0.000 0.989 1017 R CA -0.938 54.826 56.100 -0.559 0.000 0.842 1017 R CB 0.809 30.941 30.300 -0.279 0.000 1.119 1017 R HN 0.605 nan 8.270 nan 0.000 0.456 1018 D N 2.353 122.446 120.400 -0.513 0.000 2.378 1018 D HA 0.031 4.671 4.640 -0.000 0.000 0.238 1018 D C 0.246 176.483 176.300 -0.105 0.000 1.180 1018 D CA -0.062 53.820 54.000 -0.196 0.000 0.895 1018 D CB 0.844 41.708 40.800 0.106 0.000 1.192 1018 D HN 0.276 nan 8.370 nan 0.000 0.438 1019 L N 3.666 124.906 121.223 0.028 0.000 2.483 1019 L HA 0.088 4.428 4.340 -0.000 0.000 0.276 1019 L C -1.034 175.822 176.870 -0.024 0.000 1.213 1019 L CA -1.131 53.716 54.840 0.012 0.000 0.843 1019 L CB 0.272 42.342 42.059 0.018 0.000 1.107 1019 L HN 0.479 nan 8.230 nan 0.000 0.487 1020 P HA -0.086 nan 4.420 nan 0.000 0.222 1020 P C 0.134 177.242 177.300 -0.321 0.000 1.153 1020 P CA 0.584 63.652 63.100 -0.052 0.000 0.798 1020 P CB 0.038 31.797 31.700 0.098 0.000 0.796 1021 D N 0.943 121.044 120.400 -0.498 0.000 2.359 1021 D HA -0.001 4.639 4.640 -0.000 0.000 0.250 1021 D C 1.095 177.319 176.300 -0.127 0.000 1.264 1021 D CA -0.018 53.573 54.000 -0.681 0.000 0.911 1021 D CB 0.531 41.085 40.800 -0.410 0.000 1.056 1021 D HN -0.211 nan 8.370 nan 0.000 0.499 1022 K N 3.379 123.816 120.400 0.062 0.000 2.283 1022 K HA -0.130 4.190 4.320 -0.000 0.000 0.202 1022 K C 1.601 178.451 176.600 0.417 0.000 1.048 1022 K CA 0.317 56.716 56.287 0.187 0.000 0.948 1022 K CB -0.352 32.152 32.500 0.006 0.000 0.742 1022 K HN 0.492 nan 8.250 nan 0.000 0.458 1023 F N 2.532 122.684 119.950 0.338 0.000 2.216 1023 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 1023 F C 1.164 177.048 175.800 0.140 0.000 1.085 1023 F CA 1.272 59.442 58.000 0.283 0.000 1.326 1023 F CB 0.162 39.277 39.000 0.191 0.000 1.027 1023 F HN 0.055 nan 8.300 nan 0.000 0.497 1024 N N 0.089 118.887 118.700 0.164 0.000 2.187 1024 N HA 0.244 4.984 4.740 -0.000 0.000 0.212 1024 N C 0.158 175.515 175.510 -0.253 0.000 1.152 1024 N CA 0.469 53.498 53.050 -0.036 0.000 0.872 1024 N CB 0.304 38.831 38.487 0.066 0.000 1.025 1024 N HN 0.150 nan 8.380 nan 0.000 0.514 1025 A N -0.121 122.591 122.820 -0.179 0.000 2.272 1025 A HA 0.360 4.680 4.320 -0.000 0.000 0.275 1025 A C 0.332 177.711 177.584 -0.342 0.000 1.096 1025 A CA -0.160 51.701 52.037 -0.293 0.000 0.822 1025 A CB 0.293 19.263 19.000 -0.049 0.000 1.088 1025 A HN 0.159 nan 8.150 nan 0.000 0.495 1026 Y N -0.516 119.873 120.300 0.148 0.000 2.503 1026 Y HA 0.210 4.760 4.550 -0.000 0.000 0.278 1026 Y C 0.831 176.809 175.900 0.129 0.000 1.111 1026 Y CA 0.472 58.647 58.100 0.123 0.000 1.270 1026 Y CB 0.025 38.537 38.460 0.087 0.000 1.063 1026 Y HN 0.351 nan 8.280 nan 0.000 0.548 1027 L N 0.091 121.462 121.223 0.247 0.000 3.096 1027 L HA 0.560 4.900 4.340 -0.000 0.000 0.247 1027 L C 0.346 177.278 176.870 0.104 0.000 1.321 1027 L CA -0.249 54.694 54.840 0.171 0.000 1.044 1027 L CB 0.188 42.350 42.059 0.173 0.000 1.434 1027 L HN 0.024 nan 8.230 nan 0.000 0.533 1028 A N 0.268 123.162 122.820 0.123 0.000 3.176 1028 A HA 0.377 4.697 4.320 -0.000 0.000 0.265 1028 A C 0.687 178.434 177.584 0.272 0.000 0.936 1028 A CA -0.240 51.878 52.037 0.135 0.000 1.033 1028 A CB -0.023 19.066 19.000 0.148 0.000 1.158 1028 A HN 0.449 nan 8.150 nan 0.000 0.485 1029 N N -0.420 118.361 118.700 0.136 0.000 2.984 1029 N HA -0.153 4.587 4.740 -0.000 0.000 0.227 1029 N C -0.210 175.378 175.510 0.129 0.000 0.903 1029 N CA 1.918 54.978 53.050 0.017 0.000 0.995 1029 N CB -1.279 37.099 38.487 -0.182 0.000 1.065 1029 N HN 0.730 nan 8.380 nan 0.000 0.585 1030 K N -0.627 119.936 120.400 0.273 0.000 2.123 1030 K HA 0.302 4.622 4.320 -0.000 0.000 0.248 1030 K C -0.408 176.351 176.600 0.265 0.000 0.969 1030 K CA -0.617 55.873 56.287 0.337 0.000 0.882 1030 K CB 0.651 33.344 32.500 0.323 0.000 1.080 1030 K HN 0.071 nan 8.250 nan 0.000 0.441 1031 W N 2.322 123.863 121.300 0.402 0.000 2.308 1031 W HA 0.174 4.834 4.660 0.000 0.000 0.324 1031 W C 0.150 177.077 176.519 0.680 0.000 1.387 1031 W CA -0.328 57.302 57.345 0.475 0.000 1.250 1031 W CB 0.571 30.211 29.460 0.300 0.000 1.257 1031 W HN 0.209 nan 8.180 nan 0.000 0.554 1032 V N 2.252 122.682 119.914 0.860 0.000 2.925 1032 V HA 0.567 4.687 4.120 -0.000 0.000 0.311 1032 V C -1.373 174.843 176.094 0.203 0.000 1.104 1032 V CA -1.474 61.135 62.300 0.514 0.000 0.954 1032 V CB 1.894 33.887 31.823 0.282 0.000 1.022 1032 V HN 0.286 nan 8.190 nan 0.000 0.427 1033 F N 5.277 124.899 119.950 -0.546 0.000 2.391 1033 F HA 0.747 5.274 4.527 0.000 0.000 0.359 1033 F C -0.331 174.999 175.800 -0.784 0.000 1.122 1033 F CA -1.554 55.802 58.000 -1.073 0.000 1.120 1033 F CB 0.884 38.958 39.000 -1.544 0.000 1.142 1033 F HN 0.417 nan 8.300 nan 0.000 0.483 1034 I N 4.454 124.204 120.570 -1.366 0.000 2.437 1034 I HA 0.366 4.536 4.170 -0.000 0.000 0.298 1034 I C 0.160 175.419 176.117 -1.431 0.000 0.984 1034 I CA -0.388 60.147 61.300 -1.274 0.000 1.214 1034 I CB 1.456 38.622 38.000 -1.390 0.000 1.365 1034 I HN 0.580 nan 8.210 nan 0.000 0.469 1035 T N 6.401 120.378 114.554 -0.962 0.000 3.237 1035 T HA 0.664 5.014 4.350 -0.000 0.000 0.319 1035 T C -1.136 173.252 174.700 -0.521 0.000 1.037 1035 T CA -0.409 61.242 62.100 -0.748 0.000 1.048 1035 T CB 0.620 69.062 68.868 -0.711 0.000 1.081 1035 T HN 0.295 nan 8.240 nan 0.000 0.455 1036 I N 5.084 125.287 120.570 -0.611 0.000 2.382 1036 I HA 0.409 4.579 4.170 -0.000 0.000 0.285 1036 I C 0.706 176.419 176.117 -0.675 0.000 1.007 1036 I CA -0.675 60.180 61.300 -0.742 0.000 1.142 1036 I CB 2.078 39.271 38.000 -1.345 0.000 1.289 1036 I HN 0.788 nan 8.210 nan 0.000 0.453 1037 T N 2.027 116.312 114.554 -0.449 0.000 2.929 1037 T HA 0.496 4.846 4.350 -0.000 0.000 0.284 1037 T C -0.306 174.160 174.700 -0.390 0.000 1.014 1037 T CA -0.873 60.996 62.100 -0.384 0.000 1.051 1037 T CB 1.381 70.119 68.868 -0.217 0.000 1.028 1037 T HN 0.459 nan 8.240 nan 0.000 0.485 1038 N N 2.460 120.921 118.700 -0.400 0.000 2.540 1038 N HA 0.207 4.947 4.740 -0.000 0.000 0.275 1038 N C -1.820 173.615 175.510 -0.125 0.000 1.053 1038 N CA -0.512 52.365 53.050 -0.288 0.000 0.876 1038 N CB 1.976 40.146 38.487 -0.527 0.000 1.284 1038 N HN 0.764 nan 8.380 nan 0.000 0.518 1039 D N 1.958 122.327 120.400 -0.051 0.000 2.373 1039 D HA 0.206 4.846 4.640 -0.000 0.000 0.227 1039 D C 1.069 177.394 176.300 0.042 0.000 1.091 1039 D CA -0.334 53.666 54.000 -0.000 0.000 0.840 1039 D CB 0.908 41.703 40.800 -0.008 0.000 1.060 1039 D HN 0.150 nan 8.370 nan 0.000 0.502 1040 R N 3.107 123.657 120.500 0.082 0.000 2.193 1040 R HA 0.001 4.341 4.340 -0.000 0.000 0.229 1040 R C 1.425 177.775 176.300 0.083 0.000 1.110 1040 R CA 0.587 56.754 56.100 0.112 0.000 0.988 1040 R CB -0.364 30.033 30.300 0.161 0.000 0.871 1040 R HN 0.581 nan 8.270 nan 0.000 0.458 1041 L N 0.192 121.450 121.223 0.060 0.000 2.558 1041 L HA 0.018 4.358 4.340 -0.000 0.000 0.225 1041 L C 1.386 178.275 176.870 0.032 0.000 1.128 1041 L CA 0.518 55.384 54.840 0.043 0.000 0.868 1041 L CB -0.006 42.073 42.059 0.034 0.000 1.006 1041 L HN 0.223 nan 8.230 nan 0.000 0.454 1042 S N -3.376 112.342 115.700 0.029 0.000 4.569 1042 S HA 0.318 4.788 4.470 -0.000 0.000 0.161 1042 S C 0.311 174.923 174.600 0.019 0.000 1.104 1042 S CA -0.410 57.801 58.200 0.019 0.000 1.153 1042 S CB 1.076 64.280 63.200 0.008 0.000 2.018 1042 S HN 0.014 nan 8.310 nan 0.000 0.800 1043 S N 0.262 115.966 115.700 0.006 0.000 2.704 1043 S HA 0.888 5.358 4.470 -0.000 0.000 0.296 1043 S C -1.021 173.570 174.600 -0.016 0.000 1.138 1043 S CA -0.276 57.925 58.200 0.002 0.000 0.875 1043 S CB 1.687 64.877 63.200 -0.016 0.000 1.151 1043 S HN 1.022 nan 8.310 nan 0.000 0.500 1044 A N 1.958 124.773 122.820 -0.008 0.000 2.304 1044 A HA 0.748 5.068 4.320 -0.000 0.000 0.323 1044 A C -0.725 176.790 177.584 -0.115 0.000 1.195 1044 A CA -0.672 51.337 52.037 -0.047 0.000 0.826 1044 A CB 0.232 19.292 19.000 0.101 0.000 1.184 1044 A HN 0.659 nan 8.150 nan 0.000 0.496 1045 N N 1.603 120.182 118.700 -0.202 0.000 2.296 1045 N HA 0.393 5.133 4.740 -0.000 0.000 0.294 1045 N C -1.666 173.618 175.510 -0.377 0.000 1.033 1045 N CA -0.530 52.356 53.050 -0.273 0.000 0.839 1045 N CB 2.249 40.597 38.487 -0.232 0.000 1.395 1045 N HN 0.506 nan 8.380 nan 0.000 0.479 1046 L N 3.513 124.459 121.223 -0.461 0.000 2.287 1046 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 1046 L C -1.482 175.026 176.870 -0.604 0.000 1.022 1046 L CA -0.640 53.921 54.840 -0.465 0.000 0.814 1046 L CB -0.366 41.481 42.059 -0.353 0.000 1.217 1046 L HN 0.408 nan 8.230 nan 0.000 0.420 1047 Y N 5.314 125.309 120.300 -0.508 0.000 2.429 1047 Y HA 0.623 5.173 4.550 -0.000 0.000 0.342 1047 Y C 0.129 175.635 175.900 -0.657 0.000 1.004 1047 Y CA -0.882 56.910 58.100 -0.514 0.000 1.075 1047 Y CB 1.849 40.040 38.460 -0.448 0.000 1.214 1047 Y HN 0.384 nan 8.280 nan 0.000 0.455 1048 I N 2.920 123.161 120.570 -0.548 0.000 2.447 1048 I HA 0.227 4.397 4.170 -0.000 0.000 0.287 1048 I C -0.607 175.138 176.117 -0.620 0.000 1.023 1048 I CA -0.989 59.887 61.300 -0.707 0.000 1.083 1048 I CB 1.511 38.899 38.000 -1.020 0.000 1.245 1048 I HN 0.676 nan 8.210 nan 0.000 0.434 1049 N N 4.913 123.204 118.700 -0.681 0.000 2.714 1049 N HA -0.209 4.531 4.740 -0.000 0.000 0.252 1049 N C 0.976 175.983 175.510 -0.838 0.000 1.014 1049 N CA 1.436 53.886 53.050 -1.001 0.000 0.735 1049 N CB -0.947 37.264 38.487 -0.461 0.000 0.924 1049 N HN 1.170 nan 8.380 nan 0.000 0.540 1050 G N -3.182 105.277 108.800 -0.568 0.000 2.184 1050 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.264 1050 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.264 1050 G C 0.011 174.891 174.900 -0.034 0.000 0.975 1050 G CA 0.440 45.413 45.100 -0.211 0.000 0.642 1050 G HN 0.536 nan 8.290 nan 0.000 0.536 1051 V N 1.345 121.213 119.914 -0.076 0.000 2.417 1051 V HA 0.613 4.733 4.120 -0.000 0.000 0.291 1051 V C 0.567 176.576 176.094 -0.143 0.000 1.024 1051 V CA -0.882 61.392 62.300 -0.043 0.000 0.861 1051 V CB 1.678 33.442 31.823 -0.098 0.000 0.985 1051 V HN 0.445 nan 8.190 nan 0.000 0.436 1052 L N 6.323 127.420 121.223 -0.210 0.000 2.534 1052 L HA 0.206 4.546 4.340 -0.000 0.000 0.271 1052 L C 0.721 177.357 176.870 -0.390 0.000 1.178 1052 L CA 1.255 55.723 54.840 -0.620 0.000 0.907 1052 L CB 0.229 41.965 42.059 -0.538 0.000 1.164 1052 L HN 0.680 nan 8.230 nan 0.000 0.482 1053 M N 4.060 123.402 119.600 -0.430 0.000 2.289 1053 M HA 0.415 4.895 4.480 -0.000 0.000 0.335 1053 M C 0.520 176.772 176.300 -0.081 0.000 0.961 1053 M CA 0.135 55.305 55.300 -0.218 0.000 1.018 1053 M CB 0.833 33.217 32.600 -0.360 0.000 1.678 1053 M HN 0.709 nan 8.290 nan 0.000 0.589 1054 G N 0.626 109.313 108.800 -0.190 0.000 2.579 1054 G HA2 0.521 4.481 3.960 -0.000 0.000 0.292 1054 G HA3 0.521 4.481 3.960 -0.000 0.000 0.292 1054 G C -1.399 173.420 174.900 -0.135 0.000 1.484 1054 G CA -0.251 44.808 45.100 -0.069 0.000 0.813 1054 G HN 0.149 nan 8.290 nan 0.000 0.515 1055 S N -1.182 114.477 115.700 -0.068 0.000 2.587 1055 S HA 0.967 5.437 4.470 -0.000 0.000 0.269 1055 S C -0.858 173.737 174.600 -0.009 0.000 1.154 1055 S CA 0.098 58.257 58.200 -0.068 0.000 0.824 1055 S CB 1.503 64.639 63.200 -0.107 0.000 1.118 1055 S HN 2.575 nan 8.310 nan 0.000 0.462 1056 A N 0.842 123.669 122.820 0.012 0.000 2.520 1056 A HA 0.738 5.058 4.320 -0.000 0.000 0.298 1056 A C -0.922 176.681 177.584 0.032 0.000 1.051 1056 A CA -0.762 51.295 52.037 0.033 0.000 0.690 1056 A CB 1.192 20.230 19.000 0.064 0.000 1.281 1056 A HN 0.843 nan 8.150 nan 0.000 0.402 1057 E N 1.148 121.364 120.200 0.027 0.000 2.376 1057 E HA 0.260 4.610 4.350 -0.000 0.000 0.266 1057 E C 0.390 177.016 176.600 0.044 0.000 1.009 1057 E CA 0.217 56.633 56.400 0.028 0.000 0.902 1057 E CB 0.570 30.283 29.700 0.021 0.000 0.972 1057 E HN 0.589 nan 8.360 nan 0.000 0.439 1058 I N -0.854 119.747 120.570 0.051 0.000 4.009 1058 I HA 0.114 4.284 4.170 -0.000 0.000 0.331 1058 I C 0.523 176.681 176.117 0.069 0.000 1.462 1058 I CA -0.618 60.724 61.300 0.070 0.000 1.117 1058 I CB 0.329 38.386 38.000 0.095 0.000 1.091 1058 I HN 0.223 nan 8.210 nan 0.000 0.410 1059 T N -1.065 113.521 114.554 0.054 0.000 2.926 1059 T HA 0.520 4.870 4.350 -0.000 0.000 0.307 1059 T C 1.223 175.953 174.700 0.050 0.000 1.059 1059 T CA 0.445 62.576 62.100 0.052 0.000 1.122 1059 T CB 1.378 70.270 68.868 0.039 0.000 0.972 1059 T HN 0.731 nan 8.240 nan 0.000 0.545 1060 G N 1.370 110.201 108.800 0.053 0.000 2.232 1060 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.226 1060 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.226 1060 G C -0.004 174.930 174.900 0.058 0.000 0.996 1060 G CA -0.174 44.955 45.100 0.047 0.000 0.626 1060 G HN 0.839 nan 8.290 nan 0.000 0.509 1061 L N 1.356 122.623 121.223 0.074 0.000 2.371 1061 L HA 0.596 4.936 4.340 -0.000 0.000 0.272 1061 L C 1.587 178.523 176.870 0.110 0.000 1.124 1061 L CA 0.084 54.975 54.840 0.085 0.000 0.816 1061 L CB 1.049 43.167 42.059 0.097 0.000 1.129 1061 L HN 0.266 nan 8.230 nan 0.000 0.448 1062 G N 1.309 110.175 108.800 0.110 0.000 3.022 1062 G HA2 0.548 4.508 3.960 -0.000 0.000 0.157 1062 G HA3 0.548 4.508 3.960 -0.000 0.000 0.157 1062 G C -0.383 174.628 174.900 0.185 0.000 1.468 1062 G CA -0.120 45.075 45.100 0.158 0.000 1.058 1062 G HN 0.734 nan 8.290 nan 0.000 0.581 1063 A N -0.700 122.224 122.820 0.174 0.000 2.425 1063 A HA 0.556 4.876 4.320 -0.000 0.000 0.249 1063 A C -0.101 177.419 177.584 -0.107 0.000 1.084 1063 A CA -0.216 51.779 52.037 -0.070 0.000 0.781 1063 A CB -0.058 18.879 19.000 -0.105 0.000 1.019 1063 A HN 0.423 nan 8.150 nan 0.000 0.490 1064 I N 2.458 122.914 120.570 -0.189 0.000 2.304 1064 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 1064 I C 0.371 176.408 176.117 -0.133 0.000 1.018 1064 I CA 0.033 61.274 61.300 -0.099 0.000 1.260 1064 I CB 0.938 38.922 38.000 -0.027 0.000 1.390 1064 I HN 0.620 nan 8.210 nan 0.000 0.475 1065 R N 6.757 127.202 120.500 -0.092 0.000 2.505 1065 R HA 0.211 4.551 4.340 -0.000 0.000 0.284 1065 R C -0.273 175.988 176.300 -0.065 0.000 1.324 1065 R CA -0.420 55.638 56.100 -0.069 0.000 1.432 1065 R CB 0.941 31.204 30.300 -0.062 0.000 1.107 1065 R HN 0.674 nan 8.270 nan 0.000 0.587 1066 E N 0.576 120.729 120.200 -0.079 0.000 2.267 1066 E HA 0.163 4.513 4.350 -0.000 0.000 0.258 1066 E C -0.550 175.975 176.600 -0.126 0.000 1.074 1066 E CA -0.932 55.387 56.400 -0.136 0.000 0.915 1066 E CB 0.838 30.407 29.700 -0.219 0.000 1.186 1066 E HN 0.027 nan 8.360 nan 0.000 0.439 1067 D N 0.264 120.563 120.400 -0.168 0.000 2.419 1067 D HA -0.088 4.552 4.640 -0.000 0.000 0.236 1067 D C 0.644 176.841 176.300 -0.172 0.000 1.165 1067 D CA 0.036 53.941 54.000 -0.159 0.000 0.882 1067 D CB 0.586 41.277 40.800 -0.181 0.000 1.201 1067 D HN 0.555 nan 8.370 nan 0.000 0.443 1068 N N 1.410 120.011 118.700 -0.164 0.000 2.515 1068 N HA -0.084 4.656 4.740 -0.000 0.000 0.185 1068 N C -0.491 174.912 175.510 -0.178 0.000 1.109 1068 N CA 0.212 53.151 53.050 -0.186 0.000 0.903 1068 N CB -0.125 38.247 38.487 -0.192 0.000 0.969 1068 N HN 0.143 nan 8.380 nan 0.000 0.450 1069 N N 0.405 119.001 118.700 -0.172 0.000 2.361 1069 N HA 0.387 5.127 4.740 -0.000 0.000 0.302 1069 N C -0.950 174.474 175.510 -0.143 0.000 1.074 1069 N CA -0.478 52.501 53.050 -0.120 0.000 0.850 1069 N CB 2.000 40.428 38.487 -0.098 0.000 1.228 1069 N HN 0.027 nan 8.380 nan 0.000 0.491 1070 I N 1.284 121.798 120.570 -0.092 0.000 2.328 1070 I HA 0.174 4.344 4.170 -0.000 0.000 0.287 1070 I C -0.054 175.967 176.117 -0.160 0.000 1.012 1070 I CA -0.202 61.007 61.300 -0.152 0.000 1.195 1070 I CB 1.011 39.000 38.000 -0.019 0.000 1.350 1070 I HN 0.213 nan 8.210 nan 0.000 0.464 1071 T N 7.407 121.834 114.554 -0.212 0.000 2.767 1071 T HA 0.486 4.836 4.350 -0.000 0.000 0.284 1071 T C -0.267 174.311 174.700 -0.204 0.000 0.973 1071 T CA -0.433 61.558 62.100 -0.182 0.000 0.996 1071 T CB 0.910 69.676 68.868 -0.170 0.000 0.927 1071 T HN 0.118 nan 8.240 nan 0.000 0.456 1072 L N 4.507 125.614 121.223 -0.194 0.000 2.264 1072 L HA 0.622 4.962 4.340 -0.000 0.000 0.287 1072 L C 0.091 176.879 176.870 -0.137 0.000 1.039 1072 L CA 0.147 54.873 54.840 -0.190 0.000 0.829 1072 L CB 0.482 42.419 42.059 -0.202 0.000 1.211 1072 L HN 0.577 nan 8.230 nan 0.000 0.427 1073 K N 3.052 123.386 120.400 -0.110 0.000 2.639 1073 K HA 0.438 4.758 4.320 -0.000 0.000 0.279 1073 K C -1.719 174.858 176.600 -0.038 0.000 0.976 1073 K CA -0.761 55.471 56.287 -0.090 0.000 0.861 1073 K CB 1.318 33.740 32.500 -0.130 0.000 1.436 1073 K HN 0.342 nan 8.250 nan 0.000 0.400 1074 L N 2.812 124.022 121.223 -0.022 0.000 2.361 1074 L HA 0.274 4.614 4.340 -0.000 0.000 0.278 1074 L C -0.387 176.489 176.870 0.010 0.000 1.113 1074 L CA -0.208 54.654 54.840 0.036 0.000 0.849 1074 L CB 0.564 42.602 42.059 -0.034 0.000 1.155 1074 L HN 0.600 nan 8.230 nan 0.000 0.452 1075 D N 4.536 124.976 120.400 0.068 0.000 2.481 1075 D HA 0.309 4.949 4.640 -0.000 0.000 0.246 1075 D C 0.232 176.571 176.300 0.064 0.000 1.109 1075 D CA -0.430 53.590 54.000 0.033 0.000 0.845 1075 D CB 0.864 41.669 40.800 0.009 0.000 1.160 1075 D HN 0.457 nan 8.370 nan 0.000 0.534 1076 R N 1.099 121.614 120.500 0.025 0.000 3.774 1076 R HA -0.163 4.177 4.340 -0.000 0.000 0.320 1076 R C -0.357 175.948 176.300 0.009 0.000 1.175 1076 R CA 0.454 56.568 56.100 0.024 0.000 0.849 1076 R CB -2.406 27.918 30.300 0.041 0.000 1.365 1076 R HN 0.477 nan 8.270 nan 0.000 0.502 1077 C N 0.999 120.243 119.300 -0.094 0.000 2.415 1077 C HA 0.292 4.752 4.460 -0.000 0.000 0.369 1077 C C 1.576 176.392 174.990 -0.289 0.000 1.279 1077 C CA -0.717 58.104 59.018 -0.329 0.000 1.886 1077 C CB 0.318 27.592 27.740 -0.777 0.000 2.468 1077 C HN 0.397 nan 8.230 nan 0.000 0.553 1078 N N 3.130 121.671 118.700 -0.266 0.000 2.446 1078 N HA -0.021 4.719 4.740 -0.000 0.000 0.179 1078 N C 0.129 175.397 175.510 -0.403 0.000 1.054 1078 N CA 0.526 53.470 53.050 -0.177 0.000 0.905 1078 N CB -0.251 38.284 38.487 0.079 0.000 0.973 1078 N HN 0.747 nan 8.380 nan 0.000 0.448 1079 N N 2.019 120.186 118.700 -0.888 0.000 2.402 1079 N HA 0.065 4.805 4.740 -0.000 0.000 0.252 1079 N C 0.495 175.683 175.510 -0.536 0.000 1.118 1079 N CA -0.051 52.354 53.050 -1.076 0.000 0.945 1079 N CB 0.236 37.824 38.487 -1.498 0.000 1.147 1079 N HN -0.061 nan 8.380 nan 0.000 0.495 1080 N N 2.932 121.448 118.700 -0.307 0.000 2.364 1080 N HA -0.097 4.642 4.740 -0.000 0.000 0.183 1080 N C 0.190 175.613 175.510 -0.145 0.000 1.022 1080 N CA 0.777 53.721 53.050 -0.177 0.000 0.883 1080 N CB 0.102 38.537 38.487 -0.086 0.000 0.965 1080 N HN 0.590 nan 8.380 nan 0.000 0.438 1081 N N 0.642 119.245 118.700 -0.161 0.000 2.299 1081 N HA -0.042 4.698 4.740 -0.000 0.000 0.187 1081 N C 0.496 175.954 175.510 -0.087 0.000 1.099 1081 N CA 0.009 53.023 53.050 -0.061 0.000 0.867 1081 N CB 0.237 38.729 38.487 0.010 0.000 0.974 1081 N HN 0.301 nan 8.380 nan 0.000 0.477 1082 Q N 1.258 120.903 119.800 -0.258 0.000 2.428 1082 Q HA 0.024 4.364 4.340 -0.000 0.000 0.276 1082 Q C -0.983 174.916 176.000 -0.169 0.000 1.059 1082 Q CA 0.374 55.979 55.803 -0.329 0.000 0.923 1082 Q CB 0.189 28.631 28.738 -0.493 0.000 1.283 1082 Q HN 0.321 nan 8.270 nan 0.000 0.447 1083 Y N 0.143 120.373 120.300 -0.117 0.000 2.656 1083 Y HA 0.710 5.260 4.550 -0.000 0.000 0.334 1083 Y C -1.490 174.344 175.900 -0.109 0.000 1.179 1083 Y CA -1.045 56.961 58.100 -0.157 0.000 1.050 1083 Y CB 0.568 38.922 38.460 -0.178 0.000 1.308 1083 Y HN 0.517 nan 8.280 nan 0.000 0.456 1084 V N -1.597 118.368 119.914 0.084 0.000 3.216 1084 V HA 0.929 5.049 4.120 -0.000 0.000 0.302 1084 V C -1.066 175.085 176.094 0.096 0.000 1.286 1084 V CA -0.916 61.445 62.300 0.101 0.000 1.048 1084 V CB 1.660 33.535 31.823 0.088 0.000 1.081 1084 V HN 1.003 nan 8.190 nan 0.000 0.442 1085 S N 1.916 117.708 115.700 0.154 0.000 2.526 1085 S HA 0.898 5.368 4.470 -0.000 0.000 0.293 1085 S C -0.737 174.083 174.600 0.366 0.000 1.092 1085 S CA -0.537 57.820 58.200 0.261 0.000 0.980 1085 S CB 1.527 64.885 63.200 0.262 0.000 1.048 1085 S HN 0.778 nan 8.310 nan 0.000 0.483 1086 I N 1.810 122.666 120.570 0.477 0.000 2.769 1086 I HA 0.570 4.740 4.170 -0.000 0.000 0.298 1086 I C -1.337 175.081 176.117 0.503 0.000 1.128 1086 I CA -0.504 61.109 61.300 0.522 0.000 1.031 1086 I CB 2.492 40.648 38.000 0.259 0.000 1.235 1086 I HN 0.527 nan 8.210 nan 0.000 0.423 1087 D N 3.989 124.703 120.400 0.523 0.000 2.609 1087 D HA 0.364 5.004 4.640 -0.000 0.000 0.239 1087 D C -0.745 175.758 176.300 0.338 0.000 1.229 1087 D CA -0.359 53.816 54.000 0.291 0.000 0.808 1087 D CB 1.423 42.217 40.800 -0.010 0.000 1.448 1087 D HN 0.331 nan 8.370 nan 0.000 0.433 1088 K N 0.981 121.518 120.400 0.228 0.000 3.088 1088 K HA -0.235 4.085 4.320 -0.000 0.000 0.273 1088 K C -0.058 176.740 176.600 0.329 0.000 1.111 1088 K CA 0.306 56.739 56.287 0.243 0.000 0.803 1088 K CB -2.701 29.871 32.500 0.119 0.000 1.226 1088 K HN 0.480 nan 8.250 nan 0.000 0.485 1089 F N 1.765 121.863 119.950 0.247 0.000 2.549 1089 F HA -0.031 4.496 4.527 0.000 0.000 0.400 1089 F C 0.868 176.777 175.800 0.181 0.000 1.011 1089 F CA 0.808 58.951 58.000 0.239 0.000 1.148 1089 F CB 0.264 39.352 39.000 0.146 0.000 0.993 1089 F HN 0.139 nan 8.300 nan 0.000 0.540 1090 R N 6.686 126.872 120.500 -0.524 0.000 2.673 1090 R HA 0.642 4.982 4.340 -0.000 0.000 0.281 1090 R C -1.613 174.337 176.300 -0.584 0.000 0.991 1090 R CA -0.800 55.042 56.100 -0.429 0.000 0.896 1090 R CB 1.387 31.562 30.300 -0.209 0.000 1.201 1090 R HN 0.723 nan 8.270 nan 0.000 0.457 1091 I N 4.102 124.387 120.570 -0.474 0.000 2.465 1091 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 1091 I C -1.000 174.915 176.117 -0.335 0.000 1.014 1091 I CA -0.710 60.426 61.300 -0.273 0.000 1.093 1091 I CB 1.582 39.542 38.000 -0.068 0.000 1.267 1091 I HN 0.442 nan 8.210 nan 0.000 0.431 1092 F N 3.653 123.593 119.950 -0.016 0.000 2.507 1092 F HA 0.288 4.815 4.527 -0.000 0.000 0.327 1092 F C 0.930 176.756 175.800 0.044 0.000 1.068 1092 F CA -0.905 57.097 58.000 0.003 0.000 0.965 1092 F CB 1.312 40.300 39.000 -0.021 0.000 1.192 1092 F HN 0.503 nan 8.300 nan 0.000 0.476 1093 C N 0.478 119.912 119.300 0.223 0.000 2.271 1093 C HA 0.567 5.027 4.460 -0.000 0.000 0.364 1093 C C -0.147 174.938 174.990 0.157 0.000 1.337 1093 C CA -0.596 58.520 59.018 0.163 0.000 1.753 1093 C CB -2.308 25.488 27.740 0.093 0.000 2.123 1093 C HN 0.831 nan 8.230 nan 0.000 0.577 1094 K N -0.918 119.575 120.400 0.154 0.000 2.578 1094 K HA 0.687 5.007 4.320 -0.000 0.000 0.287 1094 K C -1.306 175.299 176.600 0.008 0.000 1.010 1094 K CA -0.411 55.922 56.287 0.077 0.000 0.889 1094 K CB 1.126 33.653 32.500 0.043 0.000 1.514 1094 K HN 0.065 nan 8.250 nan 0.000 0.424 1095 A N 2.577 125.375 122.820 -0.037 0.000 2.310 1095 A HA 0.413 4.733 4.320 -0.000 0.000 0.300 1095 A C -0.061 177.431 177.584 -0.152 0.000 1.269 1095 A CA -0.810 51.161 52.037 -0.109 0.000 0.909 1095 A CB -0.374 18.574 19.000 -0.087 0.000 1.144 1095 A HN 0.567 nan 8.150 nan 0.000 0.540 1096 L N 3.483 124.557 121.223 -0.250 0.000 2.461 1096 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 1096 L C 1.135 177.841 176.870 -0.273 0.000 1.197 1096 L CA -0.346 54.307 54.840 -0.312 0.000 0.836 1096 L CB 0.295 42.058 42.059 -0.493 0.000 1.105 1096 L HN 0.913 nan 8.230 nan 0.000 0.477 1097 N N 2.120 120.685 118.700 -0.226 0.000 2.434 1097 N HA 0.231 4.971 4.740 -0.000 0.000 0.266 1097 N C -2.303 173.056 175.510 -0.251 0.000 1.223 1097 N CA -1.600 51.341 53.050 -0.181 0.000 0.972 1097 N CB 1.008 39.426 38.487 -0.115 0.000 1.207 1097 N HN 0.222 nan 8.380 nan 0.000 0.525 1098 P HA -0.160 nan 4.420 nan 0.000 0.216 1098 P C 1.079 178.282 177.300 -0.161 0.000 1.150 1098 P CA 1.597 64.585 63.100 -0.188 0.000 0.843 1098 P CB 0.152 31.830 31.700 -0.037 0.000 0.787 1099 K N -0.004 120.326 120.400 -0.117 0.000 2.057 1099 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 1099 K C 1.986 178.518 176.600 -0.114 0.000 1.050 1099 K CA 1.390 57.622 56.287 -0.092 0.000 0.935 1099 K CB -0.717 31.742 32.500 -0.069 0.000 0.715 1099 K HN 0.334 nan 8.250 nan 0.000 0.439 1100 E N 0.785 120.893 120.200 -0.154 0.000 2.077 1100 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 1100 E C 2.157 178.634 176.600 -0.206 0.000 0.989 1100 E CA 0.795 57.087 56.400 -0.180 0.000 0.800 1100 E CB -0.166 29.398 29.700 -0.227 0.000 0.746 1100 E HN 0.233 nan 8.360 nan 0.000 0.452 1101 I N 0.926 121.333 120.570 -0.271 0.000 2.226 1101 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 1101 I C 2.576 178.643 176.117 -0.083 0.000 1.100 1101 I CA 1.123 62.258 61.300 -0.276 0.000 1.374 1101 I CB -0.126 37.532 38.000 -0.570 0.000 1.057 1101 I HN 0.089 nan 8.210 nan 0.000 0.413 1102 E N 1.597 121.758 120.200 -0.066 0.000 2.047 1102 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 1102 E C 2.163 178.783 176.600 0.033 0.000 0.987 1102 E CA 1.532 57.960 56.400 0.047 0.000 0.799 1102 E CB -0.106 29.604 29.700 0.017 0.000 0.752 1102 E HN 0.192 nan 8.360 nan 0.000 0.449 1103 K N 0.131 120.511 120.400 -0.033 0.000 2.057 1103 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 1103 K C 2.230 178.783 176.600 -0.078 0.000 1.050 1103 K CA 1.047 57.298 56.287 -0.060 0.000 0.935 1103 K CB -0.278 32.180 32.500 -0.070 0.000 0.715 1103 K HN 0.271 nan 8.250 nan 0.000 0.439 1104 L N 0.736 121.925 121.223 -0.057 0.000 2.012 1104 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 1104 L C 2.484 179.304 176.870 -0.084 0.000 1.073 1104 L CA 1.852 56.661 54.840 -0.052 0.000 0.748 1104 L CB -0.615 41.480 42.059 0.061 0.000 0.891 1104 L HN 0.306 nan 8.230 nan 0.000 0.431 1105 Y N 1.410 121.617 120.300 -0.156 0.000 2.128 1105 Y HA -0.282 4.268 4.550 0.000 0.000 0.284 1105 Y C 2.820 178.661 175.900 -0.098 0.000 1.154 1105 Y CA 2.250 60.164 58.100 -0.309 0.000 1.149 1105 Y CB -1.013 37.406 38.460 -0.068 0.000 0.976 1105 Y HN 0.394 nan 8.280 nan 0.000 0.505 1106 T N -2.148 112.250 114.554 -0.260 0.000 3.085 1106 T HA -0.073 4.277 4.350 -0.000 0.000 0.263 1106 T C 1.998 176.580 174.700 -0.196 0.000 1.127 1106 T CA 0.930 62.845 62.100 -0.309 0.000 1.103 1106 T CB -0.914 67.818 68.868 -0.225 0.000 0.921 1106 T HN 0.464 nan 8.240 nan 0.000 0.510 1107 S N 0.322 115.883 115.700 -0.230 0.000 2.453 1107 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 1107 S C 1.500 175.914 174.600 -0.310 0.000 1.005 1107 S CA 0.141 58.167 58.200 -0.289 0.000 0.949 1107 S CB -0.813 62.149 63.200 -0.396 0.000 0.774 1107 S HN 0.610 nan 8.310 nan 0.000 0.510 1108 Y N 1.248 121.514 120.300 -0.057 0.000 2.517 1108 Y HA 0.441 4.991 4.550 0.000 0.000 0.281 1108 Y C 0.961 176.784 175.900 -0.128 0.000 1.125 1108 Y CA -0.315 57.748 58.100 -0.063 0.000 1.283 1108 Y CB -0.176 38.318 38.460 0.055 0.000 1.042 1108 Y HN 0.191 nan 8.280 nan 0.000 0.547 1109 L N 0.622 121.857 121.223 0.020 0.000 2.437 1109 L HA 0.112 4.452 4.340 -0.000 0.000 0.243 1109 L C 0.718 177.572 176.870 -0.027 0.000 1.346 1109 L CA -0.239 54.588 54.840 -0.021 0.000 1.233 1109 L CB -0.400 41.637 42.059 -0.037 0.000 1.436 1109 L HN -0.021 nan 8.230 nan 0.000 0.416 1110 S N 2.044 117.729 115.700 -0.024 0.000 2.596 1110 S HA 0.024 4.494 4.470 -0.000 0.000 0.298 1110 S C 1.501 176.138 174.600 0.061 0.000 1.255 1110 S CA -0.512 57.705 58.200 0.027 0.000 1.083 1110 S CB 0.282 63.507 63.200 0.041 0.000 0.837 1110 S HN 0.487 nan 8.310 nan 0.000 0.499 1111 I N 3.672 124.267 120.570 0.041 0.000 3.793 1111 I HA 0.128 4.298 4.170 -0.000 0.000 0.315 1111 I C 1.116 177.218 176.117 -0.024 0.000 1.275 1111 I CA 0.407 61.712 61.300 0.009 0.000 1.214 1111 I CB -1.541 36.450 38.000 -0.015 0.000 1.018 1111 I HN 0.455 nan 8.210 nan 0.000 0.439 1112 T N 1.151 115.689 114.554 -0.026 0.000 3.009 1112 T HA 0.184 4.534 4.350 -0.000 0.000 0.258 1112 T C 0.309 174.735 174.700 -0.457 0.000 1.063 1112 T CA 0.789 62.718 62.100 -0.285 0.000 1.139 1112 T CB -0.225 68.364 68.868 -0.465 0.000 0.890 1112 T HN 0.208 nan 8.240 nan 0.000 0.471 1113 F N 1.829 121.731 119.950 -0.079 0.000 2.404 1113 F HA 0.485 5.012 4.527 0.000 0.000 0.354 1113 F C 0.254 175.983 175.800 -0.119 0.000 1.122 1113 F CA -1.439 56.502 58.000 -0.097 0.000 1.080 1113 F CB 0.297 39.215 39.000 -0.138 0.000 1.131 1113 F HN -0.102 nan 8.300 nan 0.000 0.471 1114 L N 3.826 125.040 121.223 -0.015 0.000 2.464 1114 L HA 0.448 4.788 4.340 -0.000 0.000 0.264 1114 L C 0.358 177.184 176.870 -0.073 0.000 1.199 1114 L CA -0.422 54.373 54.840 -0.075 0.000 0.818 1114 L CB 0.527 42.483 42.059 -0.171 0.000 1.102 1114 L HN 0.610 nan 8.230 nan 0.000 0.473 1115 R N 0.008 120.465 120.500 -0.071 0.000 2.803 1115 R HA 0.293 4.633 4.340 -0.000 0.000 0.276 1115 R C -1.080 175.203 176.300 -0.028 0.000 0.978 1115 R CA -0.878 55.181 56.100 -0.069 0.000 0.939 1115 R CB 1.875 32.113 30.300 -0.103 0.000 1.179 1115 R HN 0.699 nan 8.270 nan 0.000 0.472 1116 D N 0.485 120.899 120.400 0.023 0.000 2.447 1116 D HA -0.054 4.586 4.640 -0.000 0.000 0.265 1116 D C 0.750 177.154 176.300 0.175 0.000 1.250 1116 D CA -0.489 53.585 54.000 0.125 0.000 1.046 1116 D CB 0.272 41.250 40.800 0.297 0.000 1.095 1116 D HN 0.396 nan 8.370 nan 0.000 0.555 1117 F N -0.579 119.346 119.950 -0.041 0.000 2.192 1117 F HA -0.057 4.470 4.527 -0.000 0.000 0.301 1117 F C 1.404 177.093 175.800 -0.185 0.000 1.079 1117 F CA 1.154 59.013 58.000 -0.234 0.000 1.303 1117 F CB -0.138 38.442 39.000 -0.700 0.000 1.024 1117 F HN 0.388 nan 8.300 nan 0.000 0.494 1118 W N -0.395 121.023 121.300 0.197 0.000 2.905 1118 W HA 0.281 4.941 4.660 0.000 0.000 0.251 1118 W C 1.918 178.437 176.519 -0.000 0.000 1.305 1118 W CA 0.568 57.965 57.345 0.087 0.000 1.465 1118 W CB -0.260 29.292 29.460 0.153 0.000 1.122 1118 W HN 0.204 nan 8.180 nan 0.000 0.659 1119 G N -0.391 108.310 108.800 -0.164 0.000 2.195 1119 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.224 1119 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.224 1119 G C 0.232 175.009 174.900 -0.206 0.000 0.990 1119 G CA -0.410 44.199 45.100 -0.817 0.000 0.639 1119 G HN 0.133 nan 8.290 nan 0.000 0.514 1120 N N 1.582 120.355 118.700 0.123 0.000 2.445 1120 N HA 0.453 5.193 4.740 -0.000 0.000 0.264 1120 N C -2.704 172.798 175.510 -0.014 0.000 1.227 1120 N CA -1.261 51.844 53.050 0.091 0.000 0.963 1120 N CB 0.550 39.195 38.487 0.264 0.000 1.188 1120 N HN 0.041 nan 8.380 nan 0.000 0.491 1121 P HA 0.014 nan 4.420 nan 0.000 0.264 1121 P C 0.133 177.493 177.300 0.100 0.000 1.193 1121 P CA 0.151 63.139 63.100 -0.186 0.000 0.763 1121 P CB 0.541 31.751 31.700 -0.817 0.000 0.810 1122 L N 4.870 126.128 121.223 0.057 0.000 2.456 1122 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 1122 L C 0.892 177.885 176.870 0.205 0.000 1.189 1122 L CA 0.254 55.119 54.840 0.041 0.000 0.846 1122 L CB 0.227 42.137 42.059 -0.248 0.000 1.111 1122 L HN 0.423 nan 8.230 nan 0.000 0.475 1123 R N 3.227 123.903 120.500 0.294 0.000 2.795 1123 R HA 0.356 4.696 4.340 -0.000 0.000 0.275 1123 R C -1.129 175.239 176.300 0.113 0.000 0.981 1123 R CA -0.943 55.281 56.100 0.208 0.000 0.917 1123 R CB 0.917 31.358 30.300 0.235 0.000 1.202 1123 R HN 0.299 nan 8.270 nan 0.000 0.469 1124 Y N 1.141 121.529 120.300 0.147 0.000 2.385 1124 Y HA -0.071 4.479 4.550 -0.000 0.000 0.346 1124 Y C 0.850 176.818 175.900 0.113 0.000 1.270 1124 Y CA 0.955 59.133 58.100 0.130 0.000 1.472 1124 Y CB 0.348 38.851 38.460 0.072 0.000 1.354 1124 Y HN 0.693 nan 8.280 nan 0.000 0.611 1125 D N -0.607 119.968 120.400 0.292 0.000 2.792 1125 D HA -0.202 4.438 4.640 -0.000 0.000 0.231 1125 D C -0.135 176.217 176.300 0.086 0.000 1.160 1125 D CA 1.447 55.537 54.000 0.149 0.000 0.697 1125 D CB -1.448 39.407 40.800 0.091 0.000 1.070 1125 D HN 0.507 nan 8.370 nan 0.000 0.426 1126 T N -2.196 112.408 114.554 0.084 0.000 2.893 1126 T HA 0.432 4.782 4.350 -0.000 0.000 0.293 1126 T C -0.269 174.299 174.700 -0.221 0.000 1.027 1126 T CA -0.820 61.226 62.100 -0.090 0.000 0.988 1126 T CB 2.253 71.019 68.868 -0.170 0.000 1.043 1126 T HN -0.016 nan 8.240 nan 0.000 0.461 1127 E N 2.320 122.366 120.200 -0.256 0.000 2.344 1127 E HA 0.302 4.652 4.350 -0.000 0.000 0.270 1127 E C -1.247 175.094 176.600 -0.432 0.000 1.021 1127 E CA -0.072 56.187 56.400 -0.235 0.000 0.887 1127 E CB 0.520 30.098 29.700 -0.203 0.000 0.997 1127 E HN 0.570 nan 8.360 nan 0.000 0.429 1128 Y N 1.165 121.485 120.300 0.033 0.000 2.470 1128 Y HA 0.227 4.777 4.550 -0.000 0.000 0.341 1128 Y C -0.839 175.030 175.900 -0.052 0.000 1.021 1128 Y CA -0.943 57.209 58.100 0.087 0.000 1.025 1128 Y CB 1.027 39.672 38.460 0.308 0.000 1.266 1128 Y HN 0.419 nan 8.280 nan 0.000 0.448 1129 Y N 2.991 123.475 120.300 0.307 0.000 2.319 1129 Y HA 0.404 4.954 4.550 0.000 0.000 0.328 1129 Y C -0.006 175.957 175.900 0.104 0.000 1.133 1129 Y CA -0.343 57.889 58.100 0.221 0.000 1.265 1129 Y CB 0.665 39.223 38.460 0.163 0.000 1.218 1129 Y HN 0.381 nan 8.280 nan 0.000 0.508 1130 L N 5.181 126.516 121.223 0.187 0.000 2.275 1130 L HA 0.506 4.846 4.340 -0.000 0.000 0.288 1130 L C -0.732 176.282 176.870 0.240 0.000 1.046 1130 L CA -0.368 54.442 54.840 -0.050 0.000 0.805 1130 L CB 0.819 42.578 42.059 -0.501 0.000 1.193 1130 L HN 0.567 nan 8.230 nan 0.000 0.426 1131 I N 5.497 126.267 120.570 0.333 0.000 2.499 1131 I HA 0.329 4.499 4.170 -0.000 0.000 0.288 1131 I C -2.314 173.962 176.117 0.266 0.000 1.048 1131 I CA -2.091 59.403 61.300 0.323 0.000 1.062 1131 I CB 2.469 40.630 38.000 0.268 0.000 1.238 1131 I HN 0.340 nan 8.210 nan 0.000 0.426 1132 P HA 0.062 nan 4.420 nan 0.000 0.271 1132 P C 0.902 177.997 177.300 -0.341 0.000 1.233 1132 P CA -0.038 62.664 63.100 -0.663 0.000 0.764 1132 P CB 1.444 32.686 31.700 -0.763 0.000 0.825 1133 V N 3.875 123.498 119.914 -0.484 0.000 2.392 1133 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 1133 V C 2.442 178.444 176.094 -0.153 0.000 1.059 1133 V CA 2.742 64.797 62.300 -0.408 0.000 1.051 1133 V CB -1.438 30.024 31.823 -0.602 0.000 0.658 1133 V HN 0.632 nan 8.190 nan 0.000 0.455 1134 A N -1.104 121.586 122.820 -0.216 0.000 2.206 1134 A HA 0.097 4.417 4.320 -0.000 0.000 0.211 1134 A C 1.402 178.936 177.584 -0.084 0.000 1.158 1134 A CA 0.962 52.925 52.037 -0.123 0.000 0.761 1134 A CB -0.019 18.899 19.000 -0.138 0.000 0.801 1134 A HN 0.481 nan 8.150 nan 0.000 0.473 1135 S N -0.326 115.316 115.700 -0.096 0.000 2.359 1135 S HA 0.154 4.624 4.470 -0.000 0.000 0.148 1135 S C 0.863 175.433 174.600 -0.051 0.000 1.610 1135 S CA 0.109 58.272 58.200 -0.062 0.000 1.274 1135 S CB 0.672 63.830 63.200 -0.070 0.000 1.380 1135 S HN 0.636 nan 8.310 nan 0.000 0.380 1136 S N 1.086 116.771 115.700 -0.025 0.000 2.500 1136 S HA -0.112 4.358 4.470 -0.000 0.000 0.239 1136 S C 1.664 176.080 174.600 -0.306 0.000 0.989 1136 S CA 1.093 59.240 58.200 -0.087 0.000 0.951 1136 S CB -0.383 62.811 63.200 -0.011 0.000 0.759 1136 S HN 0.651 nan 8.310 nan 0.000 0.523 1137 S N 0.182 115.766 115.700 -0.193 0.000 2.605 1137 S HA 0.304 4.774 4.470 -0.000 0.000 0.217 1137 S C 0.268 174.816 174.600 -0.087 0.000 0.958 1137 S CA -0.642 57.459 58.200 -0.165 0.000 0.919 1137 S CB -0.109 63.039 63.200 -0.087 0.000 0.780 1137 S HN 0.262 nan 8.310 nan 0.000 0.507 1138 K N 1.919 122.286 120.400 -0.056 0.000 2.164 1138 K HA 0.514 4.834 4.320 -0.000 0.000 0.258 1138 K C -0.996 175.620 176.600 0.028 0.000 0.951 1138 K CA -0.504 55.783 56.287 -0.000 0.000 0.844 1138 K CB 1.145 33.660 32.500 0.026 0.000 1.099 1138 K HN 0.159 nan 8.250 nan 0.000 0.435 1139 D N 0.529 120.957 120.400 0.046 0.000 2.385 1139 D HA 0.363 5.003 4.640 -0.000 0.000 0.254 1139 D C -0.395 175.962 176.300 0.096 0.000 1.053 1139 D CA -0.612 53.433 54.000 0.075 0.000 0.992 1139 D CB 1.748 42.579 40.800 0.053 0.000 1.145 1139 D HN -0.013 nan 8.370 nan 0.000 0.523 1140 V N 0.938 120.930 119.914 0.131 0.000 2.532 1140 V HA 0.422 4.542 4.120 -0.000 0.000 0.295 1140 V C -0.050 176.033 176.094 -0.018 0.000 1.041 1140 V CA -0.426 61.938 62.300 0.107 0.000 0.926 1140 V CB 1.572 33.533 31.823 0.230 0.000 0.992 1140 V HN 0.435 nan 8.190 nan 0.000 0.457 1141 Q N 2.631 122.294 119.800 -0.227 0.000 2.456 1141 Q HA 0.693 5.033 4.340 -0.000 0.000 0.283 1141 Q C -1.830 173.912 176.000 -0.431 0.000 1.084 1141 Q CA -0.640 54.937 55.803 -0.377 0.000 0.801 1141 Q CB 2.160 30.507 28.738 -0.652 0.000 1.434 1141 Q HN 0.625 nan 8.270 nan 0.000 0.419 1142 L N 2.509 123.557 121.223 -0.291 0.000 2.307 1142 L HA 0.493 4.833 4.340 -0.000 0.000 0.284 1142 L C 0.392 177.184 176.870 -0.129 0.000 1.023 1142 L CA -0.113 54.586 54.840 -0.236 0.000 0.810 1142 L CB 1.385 43.240 42.059 -0.339 0.000 1.231 1142 L HN 0.823 nan 8.230 nan 0.000 0.423 1143 K N 3.316 123.636 120.400 -0.133 0.000 1.984 1143 K HA 0.125 4.445 4.320 -0.000 0.000 0.209 1143 K C 0.037 176.555 176.600 -0.137 0.000 1.046 1143 K CA 1.408 57.603 56.287 -0.153 0.000 0.934 1143 K CB 0.166 32.263 32.500 -0.671 0.000 0.717 1143 K HN 0.736 nan 8.250 nan 0.000 0.438 1144 N N -1.272 117.323 118.700 -0.176 0.000 3.185 1144 N HA 0.201 4.941 4.740 -0.000 0.000 0.238 1144 N C -1.273 174.139 175.510 -0.163 0.000 1.451 1144 N CA -0.544 52.425 53.050 -0.136 0.000 0.888 1144 N CB 0.973 39.413 38.487 -0.077 0.000 1.413 1144 N HN -0.019 nan 8.380 nan 0.000 0.511 1145 I N 1.297 121.765 120.570 -0.170 0.000 2.588 1145 I HA 0.022 4.192 4.170 -0.000 0.000 0.283 1145 I C 1.229 177.298 176.117 -0.080 0.000 1.119 1145 I CA 0.372 61.562 61.300 -0.183 0.000 1.419 1145 I CB 0.122 38.002 38.000 -0.200 0.000 1.394 1145 I HN 0.902 nan 8.210 nan 0.000 0.562 1146 T N -0.061 114.463 114.554 -0.050 0.000 6.974 1146 T HA -0.221 4.129 4.350 -0.000 0.000 0.287 1146 T C 0.208 174.971 174.700 0.105 0.000 2.146 1146 T CA 1.106 63.225 62.100 0.032 0.000 3.451 1146 T CB -1.782 67.085 68.868 -0.002 0.000 1.630 1146 T HN 0.738 nan 8.240 nan 0.000 1.173 1147 D N 0.690 121.114 120.400 0.040 0.000 2.496 1147 D HA 0.582 5.222 4.640 -0.000 0.000 0.283 1147 D C 0.643 177.005 176.300 0.104 0.000 1.214 1147 D CA -0.169 53.877 54.000 0.077 0.000 1.089 1147 D CB 0.510 41.292 40.800 -0.029 0.000 1.141 1147 D HN 0.608 nan 8.370 nan 0.000 0.580 1148 Y N -1.033 119.327 120.300 0.101 0.000 2.480 1148 Y HA 0.616 5.166 4.550 0.000 0.000 0.323 1148 Y C -0.205 175.797 175.900 0.170 0.000 1.267 1148 Y CA -0.989 57.191 58.100 0.132 0.000 1.336 1148 Y CB 0.587 39.136 38.460 0.149 0.000 1.361 1148 Y HN 0.066 nan 8.280 nan 0.000 0.518 1149 M N 2.259 122.104 119.600 0.408 0.000 2.528 1149 M HA 0.465 4.945 4.480 -0.000 0.000 0.321 1149 M C -1.581 175.015 176.300 0.494 0.000 1.153 1149 M CA -0.837 54.626 55.300 0.271 0.000 0.951 1149 M CB 2.164 34.875 32.600 0.184 0.000 1.705 1149 M HN 0.860 nan 8.290 nan 0.000 0.451 1150 Y N -0.635 119.813 120.300 0.246 0.000 2.655 1150 Y HA 0.754 5.304 4.550 -0.000 0.000 0.336 1150 Y C -1.838 174.179 175.900 0.194 0.000 1.154 1150 Y CA -1.566 56.690 58.100 0.260 0.000 1.055 1150 Y CB 0.950 39.598 38.460 0.314 0.000 1.295 1150 Y HN 0.516 nan 8.280 nan 0.000 0.465 1151 L N 2.489 123.902 121.223 0.316 0.000 2.350 1151 L HA 0.683 5.023 4.340 -0.000 0.000 0.275 1151 L C -0.024 176.964 176.870 0.197 0.000 1.099 1151 L CA -0.448 54.505 54.840 0.189 0.000 0.808 1151 L CB 1.611 43.770 42.059 0.167 0.000 1.149 1151 L HN 0.990 nan 8.230 nan 0.000 0.442 1152 T N -1.735 112.881 114.554 0.104 0.000 2.901 1152 T HA 0.384 4.734 4.350 -0.000 0.000 0.293 1152 T C -0.421 174.320 174.700 0.067 0.000 1.084 1152 T CA -1.075 61.091 62.100 0.110 0.000 1.008 1152 T CB 1.620 70.542 68.868 0.090 0.000 1.170 1152 T HN 0.345 nan 8.240 nan 0.000 0.509 1153 N N 0.951 119.687 118.700 0.060 0.000 2.488 1153 N HA 0.466 5.206 4.740 -0.000 0.000 0.274 1153 N C -0.067 175.457 175.510 0.024 0.000 1.111 1153 N CA -0.219 52.851 53.050 0.033 0.000 0.974 1153 N CB 1.425 39.930 38.487 0.030 0.000 1.089 1153 N HN 0.930 nan 8.380 nan 0.000 0.465 1154 A N 3.821 126.644 122.820 0.004 0.000 2.388 1154 A HA 0.388 4.708 4.320 -0.000 0.000 0.257 1154 A C -1.807 175.789 177.584 0.020 0.000 1.095 1154 A CA -1.019 51.020 52.037 0.003 0.000 0.791 1154 A CB -0.111 18.870 19.000 -0.033 0.000 1.029 1154 A HN 0.463 nan 8.150 nan 0.000 0.489 1155 P HA 0.275 nan 4.420 nan 0.000 0.272 1155 P C -0.248 177.092 177.300 0.068 0.000 1.230 1155 P CA 0.001 63.129 63.100 0.048 0.000 0.788 1155 P CB 1.041 32.775 31.700 0.057 0.000 0.949 1156 S N 0.483 116.221 115.700 0.064 0.000 2.627 1156 S HA 0.577 5.047 4.470 -0.000 0.000 0.283 1156 S C -1.551 173.082 174.600 0.054 0.000 1.127 1156 S CA -0.721 57.529 58.200 0.083 0.000 0.863 1156 S CB 1.474 64.719 63.200 0.077 0.000 1.121 1156 S HN 0.487 nan 8.310 nan 0.000 0.479 1157 Y N 1.508 121.696 120.300 -0.188 0.000 2.393 1157 Y HA 0.652 5.201 4.550 -0.000 0.000 0.341 1157 Y C -0.416 175.332 175.900 -0.253 0.000 0.988 1157 Y CA -0.092 57.829 58.100 -0.298 0.000 1.078 1157 Y CB 1.945 40.059 38.460 -0.576 0.000 1.203 1157 Y HN 1.054 nan 8.280 nan 0.000 0.453 1158 T N 2.999 117.062 114.554 -0.818 0.000 2.912 1158 T HA 0.411 4.761 4.350 -0.000 0.000 0.299 1158 T C -1.432 172.835 174.700 -0.721 0.000 1.052 1158 T CA -1.016 60.759 62.100 -0.542 0.000 0.996 1158 T CB 1.599 70.290 68.868 -0.294 0.000 1.070 1158 T HN 0.640 nan 8.240 nan 0.000 0.465 1159 N N 0.715 119.202 118.700 -0.356 0.000 2.607 1159 N HA 0.318 5.058 4.740 -0.000 0.000 0.271 1159 N C 1.184 176.654 175.510 -0.065 0.000 1.142 1159 N CA -0.200 52.727 53.050 -0.206 0.000 0.810 1159 N CB 1.559 40.015 38.487 -0.052 0.000 1.306 1159 N HN 0.929 nan 8.380 nan 0.000 0.536 1160 G N 2.377 111.130 108.800 -0.079 0.000 2.421 1160 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 1160 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 1160 G C 1.297 176.189 174.900 -0.014 0.000 1.171 1160 G CA 0.670 45.744 45.100 -0.043 0.000 0.775 1160 G HN 0.552 nan 8.290 nan 0.000 0.543 1161 K N 0.103 120.496 120.400 -0.013 0.000 2.009 1161 K HA 0.015 4.335 4.320 -0.000 0.000 0.210 1161 K C 2.325 178.936 176.600 0.018 0.000 1.049 1161 K CA 1.086 57.374 56.287 0.002 0.000 0.929 1161 K CB -0.296 32.205 32.500 0.002 0.000 0.714 1161 K HN 0.363 nan 8.250 nan 0.000 0.440 1162 L N 0.410 121.652 121.223 0.032 0.000 2.591 1162 L HA 0.037 4.376 4.340 -0.000 0.000 0.228 1162 L C 0.364 177.269 176.870 0.058 0.000 1.133 1162 L CA -0.003 54.867 54.840 0.050 0.000 0.880 1162 L CB -0.526 41.578 42.059 0.075 0.000 1.033 1162 L HN 0.360 nan 8.230 nan 0.000 0.450 1163 N N 1.242 119.977 118.700 0.058 0.000 2.758 1163 N HA -0.208 4.532 4.740 -0.000 0.000 0.248 1163 N C -0.529 175.055 175.510 0.123 0.000 1.076 1163 N CA 0.658 53.756 53.050 0.081 0.000 0.696 1163 N CB -1.114 37.407 38.487 0.058 0.000 0.979 1163 N HN 0.617 nan 8.380 nan 0.000 0.550 1164 I N -2.123 118.537 120.570 0.150 0.000 2.730 1164 I HA 0.830 5.000 4.170 -0.000 0.000 0.298 1164 I C -0.659 175.608 176.117 0.251 0.000 1.089 1164 I CA -1.111 60.298 61.300 0.182 0.000 1.041 1164 I CB 1.975 40.088 38.000 0.190 0.000 1.235 1164 I HN 0.105 nan 8.210 nan 0.000 0.423 1165 Y N 3.503 123.877 120.300 0.124 0.000 2.656 1165 Y HA 0.835 5.385 4.550 -0.000 0.000 0.334 1165 Y C -1.928 174.100 175.900 0.213 0.000 1.179 1165 Y CA -1.445 56.668 58.100 0.022 0.000 1.050 1165 Y CB 1.110 39.548 38.460 -0.037 0.000 1.308 1165 Y HN 0.835 nan 8.280 nan 0.000 0.456 1166 Y N -0.979 119.518 120.300 0.328 0.000 2.638 1166 Y HA 0.615 5.164 4.550 -0.000 0.000 0.334 1166 Y C -1.246 174.841 175.900 0.312 0.000 1.182 1166 Y CA -2.074 56.204 58.100 0.297 0.000 1.102 1166 Y CB 0.737 39.434 38.460 0.396 0.000 1.343 1166 Y HN 0.842 nan 8.280 nan 0.000 0.463 1167 R N 1.063 121.819 120.500 0.425 0.000 2.491 1167 R HA 0.530 4.870 4.340 -0.000 0.000 0.283 1167 R C -0.856 175.687 176.300 0.404 0.000 1.072 1167 R CA -0.615 55.626 56.100 0.235 0.000 1.048 1167 R CB 0.575 30.859 30.300 -0.026 0.000 0.983 1167 R HN 0.723 nan 8.270 nan 0.000 0.450 1168 R N 2.388 123.068 120.500 0.300 0.000 2.594 1168 R HA 0.243 4.583 4.340 -0.000 0.000 0.272 1168 R C -0.036 176.288 176.300 0.039 0.000 1.074 1168 R CA -0.397 55.897 56.100 0.323 0.000 1.105 1168 R CB 0.440 30.880 30.300 0.232 0.000 1.008 1168 R HN 0.460 nan 8.270 nan 0.000 0.472 1169 L N 2.097 123.230 121.223 -0.149 0.000 2.416 1169 L HA 0.282 4.622 4.340 -0.000 0.000 0.263 1169 L C -0.226 176.274 176.870 -0.616 0.000 1.065 1169 L CA -0.821 53.630 54.840 -0.647 0.000 0.798 1169 L CB 0.372 41.599 42.059 -1.387 0.000 1.267 1169 L HN 0.688 nan 8.230 nan 0.000 0.467 1170 Y N -1.003 118.957 120.300 -0.565 0.000 4.032 1170 Y HA -0.244 4.306 4.550 -0.000 0.000 0.230 1170 Y C -0.018 175.441 175.900 -0.734 0.000 1.202 1170 Y CA -0.156 57.293 58.100 -1.085 0.000 1.878 1170 Y CB -2.776 35.409 38.460 -0.458 0.000 1.586 1170 Y HN 0.569 nan 8.280 nan 0.000 0.673 1171 N N 0.170 118.672 118.700 -0.330 0.000 2.402 1171 N HA 0.700 5.440 4.740 -0.000 0.000 0.294 1171 N C 0.630 176.198 175.510 0.097 0.000 1.203 1171 N CA 0.360 53.389 53.050 -0.034 0.000 0.838 1171 N CB 2.192 40.679 38.487 0.001 0.000 1.306 1171 N HN 0.553 nan 8.380 nan 0.000 0.510 1172 G N -0.093 108.806 108.800 0.165 0.000 2.795 1172 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.664 1172 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.664 1172 G C -0.455 174.615 174.900 0.283 0.000 1.381 1172 G CA -0.793 44.417 45.100 0.183 0.000 0.853 1172 G HN 0.472 nan 8.290 nan 0.000 0.545 1173 L N 0.167 121.483 121.223 0.155 0.000 2.516 1173 L HA 0.178 4.518 4.340 -0.000 0.000 0.288 1173 L C 1.176 178.011 176.870 -0.058 0.000 1.246 1173 L CA 0.429 55.262 54.840 -0.012 0.000 0.844 1173 L CB 0.133 42.005 42.059 -0.311 0.000 1.106 1173 L HN 0.482 nan 8.230 nan 0.000 0.509 1174 K N 2.761 122.994 120.400 -0.279 0.000 2.206 1174 K HA 0.547 4.867 4.320 -0.000 0.000 0.264 1174 K C -1.194 175.190 176.600 -0.359 0.000 0.967 1174 K CA -0.474 55.600 56.287 -0.355 0.000 0.844 1174 K CB 1.625 33.940 32.500 -0.310 0.000 1.099 1174 K HN 0.174 nan 8.250 nan 0.000 0.441 1175 F N 2.016 121.937 119.950 -0.048 0.000 2.538 1175 F HA 0.539 5.065 4.527 -0.000 0.000 0.325 1175 F C 0.235 176.139 175.800 0.173 0.000 1.066 1175 F CA -0.919 57.121 58.000 0.066 0.000 0.946 1175 F CB 1.390 40.398 39.000 0.014 0.000 1.199 1175 F HN 0.195 nan 8.300 nan 0.000 0.473 1176 I N 3.175 123.988 120.570 0.405 0.000 2.545 1176 I HA 0.417 4.587 4.170 -0.000 0.000 0.292 1176 I C -0.913 175.474 176.117 0.450 0.000 1.040 1176 I CA -0.692 60.830 61.300 0.370 0.000 1.068 1176 I CB 2.214 40.341 38.000 0.212 0.000 1.251 1176 I HN 0.367 nan 8.210 nan 0.000 0.424 1177 I N 5.933 126.760 120.570 0.428 0.000 2.315 1177 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 1177 I C -0.160 176.252 176.117 0.492 0.000 1.006 1177 I CA -0.454 61.089 61.300 0.405 0.000 1.265 1177 I CB 0.783 38.916 38.000 0.221 0.000 1.387 1177 I HN 0.414 nan 8.210 nan 0.000 0.475 1178 K N 5.902 126.610 120.400 0.513 0.000 2.259 1178 K HA 0.487 4.807 4.320 -0.000 0.000 0.249 1178 K C -0.484 176.320 176.600 0.341 0.000 0.942 1178 K CA -0.992 55.537 56.287 0.402 0.000 0.816 1178 K CB 2.137 34.811 32.500 0.290 0.000 1.155 1178 K HN 0.584 nan 8.250 nan 0.000 0.428 1179 R N 2.026 122.502 120.500 -0.041 0.000 2.401 1179 R HA 0.015 4.355 4.340 -0.000 0.000 0.299 1179 R C 0.197 176.530 176.300 0.055 0.000 1.064 1179 R CA 0.005 55.983 56.100 -0.203 0.000 1.000 1179 R CB 0.153 30.093 30.300 -0.600 0.000 0.973 1179 R HN 0.776 nan 8.270 nan 0.000 0.438 1180 Y N 2.369 122.717 120.300 0.079 0.000 2.457 1180 Y HA 0.026 4.576 4.550 -0.000 0.000 0.292 1180 Y C 0.239 176.174 175.900 0.059 0.000 1.125 1180 Y CA 1.129 59.299 58.100 0.117 0.000 1.254 1180 Y CB 0.770 39.345 38.460 0.192 0.000 1.012 1180 Y HN 0.801 nan 8.280 nan 0.000 0.555 1181 T N -1.538 113.087 114.554 0.118 0.000 2.749 1181 T HA 0.270 4.620 4.350 -0.000 0.000 0.310 1181 T C -2.284 172.424 174.700 0.013 0.000 1.496 1181 T CA -0.989 61.136 62.100 0.041 0.000 1.006 1181 T CB 1.237 70.195 68.868 0.150 0.000 1.457 1181 T HN -0.112 nan 8.240 nan 0.000 0.497 1182 P HA 0.235 nan 4.420 nan 0.000 0.207 1182 P C -0.114 177.189 177.300 0.005 0.000 1.169 1182 P CA 0.221 63.309 63.100 -0.020 0.000 0.900 1182 P CB -0.131 31.552 31.700 -0.028 0.000 0.747 1183 N N 1.564 120.271 118.700 0.010 0.000 2.620 1183 N HA -0.216 4.524 4.740 -0.000 0.000 0.293 1183 N C 0.152 175.672 175.510 0.017 0.000 1.178 1183 N CA 1.206 54.266 53.050 0.017 0.000 0.750 1183 N CB -1.075 37.431 38.487 0.032 0.000 0.949 1183 N HN 0.420 nan 8.380 nan 0.000 0.555 1184 N N -0.642 118.063 118.700 0.009 0.000 1.461 1184 N HA -0.292 4.447 4.740 -0.000 0.000 0.168 1184 N C -0.371 175.145 175.510 0.010 0.000 0.819 1184 N CA 1.105 54.162 53.050 0.011 0.000 1.102 1184 N CB -0.786 37.712 38.487 0.017 0.000 1.378 1184 N HN 0.711 nan 8.380 nan 0.000 0.466 1185 E N 2.291 122.503 120.200 0.019 0.000 2.415 1185 E HA 0.125 4.475 4.350 -0.000 0.000 0.263 1185 E C -0.817 175.794 176.600 0.018 0.000 0.995 1185 E CA 0.235 56.649 56.400 0.023 0.000 0.915 1185 E CB 0.267 29.990 29.700 0.038 0.000 0.951 1185 E HN 0.248 nan 8.360 nan 0.000 0.449 1186 I N 5.058 125.632 120.570 0.006 0.000 2.304 1186 I HA 0.139 4.309 4.170 -0.000 0.000 0.291 1186 I C -0.199 175.926 176.117 0.013 0.000 1.018 1186 I CA -0.462 60.830 61.300 -0.012 0.000 1.260 1186 I CB 0.998 38.977 38.000 -0.035 0.000 1.390 1186 I HN 0.433 nan 8.210 nan 0.000 0.475 1187 D N 3.647 124.075 120.400 0.046 0.000 2.198 1187 D HA 0.183 4.823 4.640 -0.000 0.000 0.247 1187 D C 0.844 177.191 176.300 0.078 0.000 1.010 1187 D CA -0.246 53.805 54.000 0.085 0.000 0.880 1187 D CB 2.082 42.992 40.800 0.183 0.000 1.209 1187 D HN 0.510 nan 8.370 nan 0.000 0.451 1188 S N 0.559 116.199 115.700 -0.099 0.000 2.527 1188 S HA 0.065 4.535 4.470 -0.000 0.000 0.222 1188 S C 0.623 175.112 174.600 -0.186 0.000 0.985 1188 S CA 0.005 58.108 58.200 -0.162 0.000 0.921 1188 S CB -0.188 62.787 63.200 -0.375 0.000 0.772 1188 S HN 0.334 nan 8.310 nan 0.000 0.529 1189 F N 1.588 121.661 119.950 0.206 0.000 2.379 1189 F HA 0.521 5.048 4.527 -0.000 0.000 0.332 1189 F C 0.086 175.926 175.800 0.067 0.000 1.096 1189 F CA -1.295 56.779 58.000 0.123 0.000 1.105 1189 F CB 1.235 40.330 39.000 0.157 0.000 1.189 1189 F HN -0.171 nan 8.300 nan 0.000 0.515 1190 V N 3.130 123.064 119.914 0.034 0.000 2.406 1190 V HA 0.214 4.334 4.120 -0.000 0.000 0.272 1190 V C -0.043 176.019 176.094 -0.054 0.000 1.043 1190 V CA -0.980 61.196 62.300 -0.206 0.000 0.915 1190 V CB 0.797 32.330 31.823 -0.483 0.000 0.988 1190 V HN 0.644 nan 8.190 nan 0.000 0.466 1191 K N 2.396 122.773 120.400 -0.038 0.000 2.110 1191 K HA 0.432 4.752 4.320 -0.000 0.000 0.263 1191 K C 0.324 176.821 176.600 -0.172 0.000 0.975 1191 K CA -0.343 55.844 56.287 -0.166 0.000 0.895 1191 K CB 1.497 33.869 32.500 -0.213 0.000 1.060 1191 K HN 0.659 nan 8.250 nan 0.000 0.448 1192 S N 0.649 116.224 115.700 -0.208 0.000 2.537 1192 S HA 0.216 4.686 4.470 -0.000 0.000 0.286 1192 S C 1.116 175.612 174.600 -0.173 0.000 1.299 1192 S CA 1.166 59.264 58.200 -0.169 0.000 1.067 1192 S CB -0.205 62.906 63.200 -0.149 0.000 0.864 1192 S HN 0.850 nan 8.310 nan 0.000 0.494 1193 G N 3.891 112.575 108.800 -0.193 0.000 2.217 1193 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.246 1193 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.246 1193 G C -0.211 174.460 174.900 -0.382 0.000 0.990 1193 G CA 0.097 45.039 45.100 -0.263 0.000 0.627 1193 G HN 0.724 nan 8.290 nan 0.000 0.522 1194 D N 0.294 120.554 120.400 -0.233 0.000 2.443 1194 D HA 0.460 5.100 4.640 -0.000 0.000 0.239 1194 D C 0.412 176.551 176.300 -0.268 0.000 1.136 1194 D CA 0.233 54.161 54.000 -0.120 0.000 0.879 1194 D CB 0.191 41.036 40.800 0.075 0.000 1.195 1194 D HN 0.101 nan 8.370 nan 0.000 0.443 1195 F N 1.831 121.820 119.950 0.066 0.000 2.404 1195 F HA 0.368 4.895 4.527 -0.000 0.000 0.345 1195 F C 0.723 176.623 175.800 0.167 0.000 1.110 1195 F CA -0.720 57.282 58.000 0.003 0.000 1.130 1195 F CB 0.500 39.369 39.000 -0.218 0.000 1.129 1195 F HN 0.158 nan 8.300 nan 0.000 0.500 1196 I N -0.419 120.351 120.570 0.333 0.000 3.174 1196 I HA 0.701 4.871 4.170 -0.000 0.000 0.313 1196 I C -1.605 174.766 176.117 0.423 0.000 1.155 1196 I CA -1.215 60.330 61.300 0.409 0.000 0.977 1196 I CB 2.402 40.597 38.000 0.325 0.000 1.248 1196 I HN 0.324 nan 8.210 nan 0.000 0.453 1197 K N 2.209 122.863 120.400 0.422 0.000 2.426 1197 K HA 0.655 4.975 4.320 -0.000 0.000 0.254 1197 K C -1.637 175.122 176.600 0.265 0.000 0.936 1197 K CA -0.613 55.862 56.287 0.314 0.000 0.801 1197 K CB 2.202 34.891 32.500 0.315 0.000 1.139 1197 K HN 0.575 nan 8.250 nan 0.000 0.424 1198 L N 3.810 125.096 121.223 0.104 0.000 2.295 1198 L HA 0.482 4.822 4.340 -0.000 0.000 0.285 1198 L C -1.614 175.290 176.870 0.055 0.000 1.035 1198 L CA -0.187 54.767 54.840 0.190 0.000 0.806 1198 L CB 0.436 42.591 42.059 0.160 0.000 1.214 1198 L HN 0.492 nan 8.230 nan 0.000 0.426 1199 Y N 3.041 123.495 120.300 0.256 0.000 2.524 1199 Y HA 0.602 5.152 4.550 -0.000 0.000 0.344 1199 Y C -0.246 175.742 175.900 0.147 0.000 1.012 1199 Y CA -0.896 57.316 58.100 0.187 0.000 1.068 1199 Y CB 2.052 40.587 38.460 0.125 0.000 1.249 1199 Y HN 0.233 nan 8.280 nan 0.000 0.468 1200 V N 1.885 121.899 119.914 0.167 0.000 2.432 1200 V HA 0.248 4.368 4.120 -0.000 0.000 0.275 1200 V C -0.099 176.032 176.094 0.062 0.000 1.043 1200 V CA -0.473 61.743 62.300 -0.139 0.000 0.925 1200 V CB 1.396 33.058 31.823 -0.268 0.000 0.985 1200 V HN 0.760 nan 8.190 nan 0.000 0.466 1201 S N 6.270 121.970 115.700 -0.001 0.000 2.466 1201 S HA 0.472 4.942 4.470 -0.000 0.000 0.313 1201 S C -1.005 173.683 174.600 0.146 0.000 1.078 1201 S CA -0.363 57.878 58.200 0.069 0.000 1.115 1201 S CB -0.207 63.000 63.200 0.012 0.000 1.006 1201 S HN 0.632 nan 8.310 nan 0.000 0.487 1202 Y N 4.112 124.443 120.300 0.053 0.000 2.376 1202 Y HA 0.325 4.875 4.550 0.000 0.000 0.340 1202 Y C 0.677 176.621 175.900 0.073 0.000 0.965 1202 Y CA -0.867 57.269 58.100 0.060 0.000 1.078 1202 Y CB 1.015 39.539 38.460 0.105 0.000 1.193 1202 Y HN 0.728 nan 8.280 nan 0.000 0.452 1203 N N 3.814 122.471 118.700 -0.070 0.000 2.696 1203 N HA -0.347 4.393 4.740 -0.000 0.000 0.249 1203 N C -0.004 175.503 175.510 -0.004 0.000 1.090 1203 N CA 1.807 54.815 53.050 -0.070 0.000 0.716 1203 N CB -1.084 37.361 38.487 -0.070 0.000 1.020 1203 N HN 0.965 nan 8.380 nan 0.000 0.548 1204 N N -2.556 116.144 118.700 0.001 0.000 2.984 1204 N HA -0.194 4.546 4.740 -0.000 0.000 0.227 1204 N C -0.491 175.008 175.510 -0.019 0.000 0.903 1204 N CA 1.370 54.413 53.050 -0.011 0.000 0.995 1204 N CB -0.428 38.049 38.487 -0.017 0.000 1.065 1204 N HN 0.494 nan 8.380 nan 0.000 0.585 1205 N N 0.936 119.637 118.700 0.003 0.000 2.459 1205 N HA 0.408 5.148 4.740 -0.000 0.000 0.288 1205 N C -1.317 174.104 175.510 -0.148 0.000 1.186 1205 N CA 0.111 53.107 53.050 -0.091 0.000 0.917 1205 N CB 1.015 39.444 38.487 -0.096 0.000 1.219 1205 N HN 0.137 nan 8.380 nan 0.000 0.525 1206 E N 0.546 120.556 120.200 -0.317 0.000 2.241 1206 E HA 0.256 4.606 4.350 -0.000 0.000 0.263 1206 E C -1.324 175.156 176.600 -0.201 0.000 0.882 1206 E CA -0.523 55.776 56.400 -0.167 0.000 0.769 1206 E CB 1.297 30.894 29.700 -0.171 0.000 1.185 1206 E HN 0.535 nan 8.360 nan 0.000 0.415 1207 H N 1.478 120.697 119.070 0.248 0.000 2.589 1207 H HA 0.296 4.851 4.556 -0.000 0.000 0.335 1207 H C -0.413 175.000 175.328 0.143 0.000 1.019 1207 H CA -0.823 55.338 56.048 0.189 0.000 1.213 1207 H CB 1.155 30.950 29.762 0.056 0.000 1.472 1207 H HN 0.399 nan 8.280 nan 0.000 0.508 1208 I N 3.253 123.886 120.570 0.105 0.000 2.752 1208 I HA -0.000 4.170 4.170 -0.000 0.000 0.287 1208 I C -0.510 175.576 176.117 -0.052 0.000 1.188 1208 I CA 0.259 61.400 61.300 -0.265 0.000 1.427 1208 I CB 0.347 38.188 38.000 -0.266 0.000 1.365 1208 I HN 0.367 nan 8.210 nan 0.000 0.585 1209 V N 7.817 127.689 119.914 -0.070 0.000 2.394 1209 V HA 0.862 4.982 4.120 -0.000 0.000 0.282 1209 V C 0.539 176.664 176.094 0.053 0.000 1.031 1209 V CA 0.298 62.623 62.300 0.042 0.000 0.881 1209 V CB 0.370 32.249 31.823 0.093 0.000 0.982 1209 V HN 1.014 nan 8.190 nan 0.000 0.451 1210 G N 3.176 112.027 108.800 0.086 0.000 2.634 1210 G HA2 0.510 4.470 3.960 -0.000 0.000 0.309 1210 G HA3 0.510 4.470 3.960 -0.000 0.000 0.309 1210 G C -2.312 172.676 174.900 0.148 0.000 1.299 1210 G CA -0.492 44.677 45.100 0.115 0.000 0.798 1210 G HN 0.459 nan 8.290 nan 0.000 0.490 1211 Y N 1.526 121.835 120.300 0.016 0.000 2.326 1211 Y HA 0.631 5.181 4.550 -0.000 0.000 0.329 1211 Y C -2.488 173.334 175.900 -0.130 0.000 0.973 1211 Y CA -2.803 55.282 58.100 -0.025 0.000 1.162 1211 Y CB 2.365 40.876 38.460 0.084 0.000 1.147 1211 Y HN 0.348 nan 8.280 nan 0.000 0.456 1212 P HA 0.088 nan 4.420 nan 0.000 0.271 1212 P C 0.524 177.228 177.300 -0.993 0.000 1.218 1212 P CA -0.049 62.479 63.100 -0.953 0.000 0.780 1212 P CB 1.230 32.230 31.700 -1.167 0.000 0.901 1213 K N 1.714 121.716 120.400 -0.663 0.000 2.005 1213 K HA -0.235 4.085 4.320 -0.000 0.000 0.229 1213 K C 0.446 176.945 176.600 -0.168 0.000 1.050 1213 K CA 2.138 58.266 56.287 -0.265 0.000 0.994 1213 K CB -0.349 32.062 32.500 -0.148 0.000 0.736 1213 K HN 0.478 nan 8.250 nan 0.000 0.448 1214 D N 0.227 120.532 120.400 -0.158 0.000 2.491 1214 D HA 0.131 4.771 4.640 -0.000 0.000 0.228 1214 D C 0.138 176.385 176.300 -0.088 0.000 1.183 1214 D CA 0.091 54.063 54.000 -0.048 0.000 0.827 1214 D CB 0.174 40.970 40.800 -0.007 0.000 0.989 1214 D HN 0.374 nan 8.370 nan 0.000 0.494 1215 G N 0.852 109.458 108.800 -0.324 0.000 2.720 1215 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.237 1215 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.237 1215 G C 0.406 175.346 174.900 0.066 0.000 1.239 1215 G CA -0.372 44.591 45.100 -0.227 0.000 0.847 1215 G HN 0.233 nan 8.290 nan 0.000 0.593 1216 N N -0.124 118.584 118.700 0.014 0.000 2.356 1216 N HA 0.314 5.054 4.740 -0.000 0.000 0.252 1216 N C 0.116 175.599 175.510 -0.044 0.000 1.241 1216 N CA 0.507 53.532 53.050 -0.040 0.000 0.861 1216 N CB 0.153 38.577 38.487 -0.104 0.000 1.075 1216 N HN 0.748 nan 8.380 nan 0.000 0.461 1217 A N 2.775 125.491 122.820 -0.172 0.000 2.609 1217 A HA 0.544 4.864 4.320 -0.000 0.000 0.291 1217 A C -1.631 175.737 177.584 -0.360 0.000 1.096 1217 A CA -0.653 51.239 52.037 -0.242 0.000 0.684 1217 A CB 0.743 19.682 19.000 -0.102 0.000 1.282 1217 A HN 0.576 nan 8.150 nan 0.000 0.412 1218 F N 1.807 121.662 119.950 -0.158 0.000 2.350 1218 F HA 0.411 4.938 4.527 -0.000 0.000 0.365 1218 F C 1.049 176.729 175.800 -0.201 0.000 1.122 1218 F CA 0.132 58.014 58.000 -0.195 0.000 1.139 1218 F CB 0.795 39.579 39.000 -0.360 0.000 1.220 1218 F HN 0.698 nan 8.300 nan 0.000 0.499 1219 N N 3.187 121.903 118.700 0.026 0.000 2.738 1219 N HA -0.287 4.453 4.740 -0.000 0.000 0.249 1219 N C -0.038 175.458 175.510 -0.023 0.000 1.047 1219 N CA 0.842 53.890 53.050 -0.003 0.000 0.707 1219 N CB -1.054 37.426 38.487 -0.011 0.000 0.937 1219 N HN 0.660 nan 8.380 nan 0.000 0.545 1220 N N -1.590 117.095 118.700 -0.025 0.000 2.741 1220 N HA -0.206 4.534 4.740 -0.000 0.000 0.251 1220 N C 0.686 176.179 175.510 -0.029 0.000 1.112 1220 N CA 1.544 54.585 53.050 -0.015 0.000 0.750 1220 N CB -0.987 37.500 38.487 0.000 0.000 1.119 1220 N HN 0.717 nan 8.380 nan 0.000 0.561 1221 L N -4.865 116.323 121.223 -0.059 0.000 3.712 1221 L HA 0.354 4.694 4.340 -0.000 0.000 0.357 1221 L C -0.923 175.884 176.870 -0.105 0.000 1.071 1221 L CA 0.401 55.199 54.840 -0.069 0.000 1.346 1221 L CB -0.052 41.984 42.059 -0.038 0.000 1.923 1221 L HN -0.253 nan 8.230 nan 0.000 0.621 1222 D N 3.765 124.090 120.400 -0.125 0.000 2.456 1222 D HA 0.330 4.970 4.640 -0.000 0.000 0.219 1222 D C -0.094 176.151 176.300 -0.092 0.000 1.126 1222 D CA -0.020 53.918 54.000 -0.102 0.000 0.890 1222 D CB 1.181 41.865 40.800 -0.193 0.000 1.025 1222 D HN 0.193 nan 8.370 nan 0.000 0.511 1223 R N 1.994 122.361 120.500 -0.222 0.000 2.370 1223 R HA 0.253 4.593 4.340 -0.000 0.000 0.309 1223 R C 0.396 176.569 176.300 -0.213 0.000 1.059 1223 R CA -0.251 55.566 56.100 -0.471 0.000 0.981 1223 R CB 0.675 30.322 30.300 -1.088 0.000 0.972 1223 R HN 0.330 nan 8.270 nan 0.000 0.437 1224 I N 4.868 125.396 120.570 -0.071 0.000 2.452 1224 I HA -0.000 4.170 4.170 -0.000 0.000 0.287 1224 I C 0.585 176.801 176.117 0.166 0.000 1.079 1224 I CA 0.069 61.400 61.300 0.052 0.000 1.387 1224 I CB 0.344 38.316 38.000 -0.047 0.000 1.404 1224 I HN 0.328 nan 8.210 nan 0.000 0.522 1225 L N 7.159 128.482 121.223 0.166 0.000 2.452 1225 L HA 0.339 4.679 4.340 -0.000 0.000 0.267 1225 L C 0.337 177.317 176.870 0.184 0.000 1.188 1225 L CA -0.342 54.605 54.840 0.179 0.000 0.821 1225 L CB 0.121 42.268 42.059 0.146 0.000 1.102 1225 L HN 0.544 nan 8.230 nan 0.000 0.470 1226 R N 1.605 122.191 120.500 0.143 0.000 2.750 1226 R HA 0.584 4.924 4.340 -0.000 0.000 0.281 1226 R C -1.258 175.117 176.300 0.124 0.000 0.972 1226 R CA -0.852 55.331 56.100 0.139 0.000 0.912 1226 R CB 2.136 32.489 30.300 0.089 0.000 1.187 1226 R HN 0.270 nan 8.270 nan 0.000 0.464 1227 V N 0.946 120.921 119.914 0.101 0.000 2.370 1227 V HA 0.392 4.512 4.120 -0.000 0.000 0.283 1227 V C 0.969 177.103 176.094 0.066 0.000 1.023 1227 V CA -0.132 62.202 62.300 0.057 0.000 0.857 1227 V CB 1.302 33.099 31.823 -0.044 0.000 0.985 1227 V HN 0.997 nan 8.190 nan 0.000 0.443 1228 G N 3.934 112.811 108.800 0.128 0.000 2.295 1228 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.287 1228 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.287 1228 G C -0.225 174.756 174.900 0.135 0.000 1.055 1228 G CA 0.398 45.596 45.100 0.164 0.000 0.922 1228 G HN 0.946 nan 8.290 nan 0.000 0.503 1229 Y N 1.053 121.366 120.300 0.022 0.000 2.346 1229 Y HA 0.438 4.988 4.550 -0.000 0.000 0.330 1229 Y C 0.971 176.869 175.900 -0.003 0.000 1.178 1229 Y CA 0.149 58.249 58.100 0.001 0.000 1.331 1229 Y CB 0.910 39.361 38.460 -0.015 0.000 1.253 1229 Y HN 0.327 nan 8.280 nan 0.000 0.529 1230 N N 2.934 121.386 118.700 -0.412 0.000 2.286 1230 N HA 0.179 4.919 4.740 -0.000 0.000 0.245 1230 N C -0.980 174.355 175.510 -0.292 0.000 1.363 1230 N CA -0.027 52.899 53.050 -0.208 0.000 0.822 1230 N CB -0.404 38.023 38.487 -0.100 0.000 1.345 1230 N HN 0.587 nan 8.380 nan 0.000 0.494 1231 A N 1.565 124.040 122.820 -0.574 0.000 2.567 1231 A HA 0.368 4.688 4.320 -0.000 0.000 0.240 1231 A C -2.104 175.415 177.584 -0.108 0.000 1.053 1231 A CA -0.350 51.489 52.037 -0.329 0.000 0.755 1231 A CB -0.424 18.391 19.000 -0.308 0.000 0.978 1231 A HN 0.241 nan 8.150 nan 0.000 0.507 1232 P HA 0.314 nan 4.420 nan 0.000 0.268 1232 P C 1.104 178.393 177.300 -0.019 0.000 1.204 1232 P CA 1.317 64.393 63.100 -0.040 0.000 0.768 1232 P CB 0.765 32.443 31.700 -0.037 0.000 0.842 1233 G N 2.387 111.181 108.800 -0.010 0.000 2.212 1233 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.266 1233 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.266 1233 G C 0.121 175.019 174.900 -0.004 0.000 0.978 1233 G CA -0.076 45.022 45.100 -0.005 0.000 0.632 1233 G HN 0.532 nan 8.290 nan 0.000 0.537 1234 I N 2.251 122.823 120.570 0.005 0.000 2.321 1234 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 1234 I C -1.948 174.130 176.117 -0.064 0.000 0.998 1234 I CA -2.231 59.063 61.300 -0.010 0.000 1.227 1234 I CB 1.417 39.451 38.000 0.057 0.000 1.368 1234 I HN -0.147 nan 8.210 nan 0.000 0.466 1235 P HA 0.060 nan 4.420 nan 0.000 0.265 1235 P C -0.812 176.185 177.300 -0.505 0.000 1.193 1235 P CA -0.222 62.709 63.100 -0.282 0.000 0.765 1235 P CB 0.555 32.080 31.700 -0.291 0.000 0.823 1236 L N 5.277 126.277 121.223 -0.372 0.000 2.316 1236 L HA 0.384 4.723 4.340 -0.000 0.000 0.280 1236 L C -1.312 175.422 176.870 -0.227 0.000 1.006 1236 L CA -0.814 53.831 54.840 -0.325 0.000 0.836 1236 L CB 0.147 42.172 42.059 -0.057 0.000 1.221 1236 L HN 0.175 nan 8.230 nan 0.000 0.418 1237 Y N 4.939 125.260 120.300 0.035 0.000 2.393 1237 Y HA 0.426 4.976 4.550 -0.000 0.000 0.338 1237 Y C 0.675 176.648 175.900 0.122 0.000 1.029 1237 Y CA -0.596 57.565 58.100 0.102 0.000 1.239 1237 Y CB 0.730 39.273 38.460 0.139 0.000 1.170 1237 Y HN 0.618 nan 8.280 nan 0.000 0.515 1238 K N -0.012 120.560 120.400 0.286 0.000 2.585 1238 K HA 0.146 4.466 4.320 -0.000 0.000 0.210 1238 K C -0.233 176.519 176.600 0.252 0.000 1.294 1238 K CA -0.462 55.956 56.287 0.218 0.000 1.025 1238 K CB 0.279 32.859 32.500 0.135 0.000 1.076 1238 K HN 0.311 nan 8.250 nan 0.000 0.613 1239 K N 1.948 122.512 120.400 0.273 0.000 2.379 1239 K HA 0.250 4.570 4.320 -0.000 0.000 0.284 1239 K C -0.644 176.112 176.600 0.260 0.000 1.044 1239 K CA 0.053 56.438 56.287 0.164 0.000 0.974 1239 K CB 0.378 32.801 32.500 -0.129 0.000 0.962 1239 K HN 0.157 nan 8.250 nan 0.000 0.474 1240 M N 2.671 122.421 119.600 0.251 0.000 2.716 1240 M HA 0.297 4.777 4.480 -0.000 0.000 0.307 1240 M C -0.888 175.572 176.300 0.267 0.000 1.223 1240 M CA -0.809 54.654 55.300 0.271 0.000 0.871 1240 M CB 2.261 34.963 32.600 0.170 0.000 1.739 1240 M HN 0.628 nan 8.290 nan 0.000 0.475 1241 E N 0.858 121.163 120.200 0.175 0.000 2.218 1241 E HA 0.602 4.952 4.350 -0.000 0.000 0.263 1241 E C -1.646 174.911 176.600 -0.071 0.000 0.879 1241 E CA -0.564 55.784 56.400 -0.087 0.000 0.762 1241 E CB 1.886 31.520 29.700 -0.109 0.000 1.166 1241 E HN 0.767 nan 8.360 nan 0.000 0.415 1242 A N 3.939 126.686 122.820 -0.121 0.000 2.302 1242 A HA 0.543 4.863 4.320 -0.000 0.000 0.295 1242 A C -0.230 177.275 177.584 -0.132 0.000 1.235 1242 A CA -0.391 51.576 52.037 -0.117 0.000 0.876 1242 A CB 0.222 19.128 19.000 -0.157 0.000 1.133 1242 A HN 0.454 nan 8.150 nan 0.000 0.533 1243 V N -0.044 119.813 119.914 -0.094 0.000 3.130 1243 V HA 0.854 4.974 4.120 -0.000 0.000 0.310 1243 V C -0.647 175.409 176.094 -0.062 0.000 1.158 1243 V CA -1.111 61.141 62.300 -0.079 0.000 1.029 1243 V CB 2.043 33.842 31.823 -0.040 0.000 1.057 1243 V HN 0.773 nan 8.190 nan 0.000 0.436 1244 K N 1.578 121.946 120.400 -0.054 0.000 2.592 1244 K HA 0.591 4.911 4.320 -0.000 0.000 0.212 1244 K C -0.514 176.069 176.600 -0.027 0.000 1.013 1244 K CA -0.434 55.829 56.287 -0.040 0.000 1.034 1244 K CB 0.991 33.466 32.500 -0.041 0.000 1.292 1244 K HN 0.623 nan 8.250 nan 0.000 0.521 1245 L N 2.699 123.909 121.223 -0.021 0.000 2.554 1245 L HA 0.319 4.659 4.340 -0.000 0.000 0.225 1245 L C 0.205 177.066 176.870 -0.016 0.000 1.104 1245 L CA 0.712 55.547 54.840 -0.007 0.000 0.866 1245 L CB -0.576 41.485 42.059 0.004 0.000 1.047 1245 L HN 0.671 nan 8.230 nan 0.000 0.468 1246 R N -3.371 117.112 120.500 -0.027 0.000 2.728 1246 R HA 0.296 4.636 4.340 -0.000 0.000 0.274 1246 R C -1.143 175.139 176.300 -0.030 0.000 1.030 1246 R CA -0.872 55.210 56.100 -0.029 0.000 0.876 1246 R CB 0.302 30.579 30.300 -0.039 0.000 1.259 1246 R HN -0.214 nan 8.270 nan 0.000 0.468 1247 D N 0.360 120.743 120.400 -0.027 0.000 2.956 1247 D HA -0.137 4.503 4.640 -0.000 0.000 0.240 1247 D C 0.410 176.702 176.300 -0.012 0.000 1.141 1247 D CA 0.601 54.587 54.000 -0.023 0.000 0.820 1247 D CB -0.076 40.702 40.800 -0.037 0.000 0.988 1247 D HN 0.602 nan 8.370 nan 0.000 0.417 1248 L N 1.935 123.149 121.223 -0.015 0.000 2.043 1248 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 1248 L C 2.146 179.016 176.870 0.001 0.000 1.075 1248 L CA 2.144 56.977 54.840 -0.012 0.000 0.752 1248 L CB -0.142 41.894 42.059 -0.038 0.000 0.891 1248 L HN 0.275 nan 8.230 nan 0.000 0.432 1249 K N -1.521 118.870 120.400 -0.014 0.000 2.432 1249 K HA 0.043 4.363 4.320 -0.000 0.000 0.196 1249 K C 0.345 176.907 176.600 -0.065 0.000 1.038 1249 K CA 0.439 56.724 56.287 -0.003 0.000 0.986 1249 K CB -0.122 32.408 32.500 0.051 0.000 0.782 1249 K HN 0.289 nan 8.250 nan 0.000 0.485 1250 T N 0.955 115.476 114.554 -0.055 0.000 2.845 1250 T HA 0.171 4.521 4.350 -0.000 0.000 0.288 1250 T C -0.532 174.180 174.700 0.019 0.000 0.980 1250 T CA -0.462 61.579 62.100 -0.098 0.000 1.071 1250 T CB 0.463 69.322 68.868 -0.016 0.000 0.941 1250 T HN -0.008 nan 8.240 nan 0.000 0.487 1251 Y N 2.996 123.396 120.300 0.167 0.000 2.623 1251 Y HA 0.374 4.924 4.550 -0.000 0.000 0.341 1251 Y C 1.241 177.276 175.900 0.225 0.000 1.292 1251 Y CA -1.149 57.042 58.100 0.151 0.000 1.840 1251 Y CB -1.111 37.409 38.460 0.100 0.000 1.865 1251 Y HN 0.567 nan 8.280 nan 0.000 0.440 1252 S N -0.795 115.040 115.700 0.226 0.000 2.667 1252 S HA 0.937 5.407 4.470 -0.000 0.000 0.292 1252 S C -0.988 173.662 174.600 0.084 0.000 1.126 1252 S CA -0.867 57.410 58.200 0.129 0.000 0.881 1252 S CB 2.254 65.389 63.200 -0.109 0.000 1.132 1252 S HN 0.008 nan 8.310 nan 0.000 0.492 1253 V N 0.999 120.982 119.914 0.115 0.000 3.007 1253 V HA 0.594 4.714 4.120 -0.000 0.000 0.311 1253 V C -1.244 174.926 176.094 0.126 0.000 1.120 1253 V CA -0.720 61.617 62.300 0.062 0.000 0.980 1253 V CB 2.151 33.951 31.823 -0.038 0.000 1.033 1253 V HN 0.940 nan 8.190 nan 0.000 0.429 1254 Q N 2.300 122.130 119.800 0.051 0.000 2.301 1254 Q HA 0.816 5.156 4.340 -0.000 0.000 0.267 1254 Q C -1.382 174.638 176.000 0.034 0.000 1.035 1254 Q CA -0.329 55.508 55.803 0.056 0.000 0.856 1254 Q CB 2.365 31.082 28.738 -0.036 0.000 1.337 1254 Q HN 0.603 nan 8.270 nan 0.000 0.450 1255 L N 1.103 122.348 121.223 0.037 0.000 2.381 1255 L HA 0.574 4.914 4.340 -0.000 0.000 0.274 1255 L C -0.696 176.177 176.870 0.006 0.000 0.988 1255 L CA -0.733 54.114 54.840 0.012 0.000 0.824 1255 L CB 1.948 44.002 42.059 -0.009 0.000 1.263 1255 L HN 0.379 nan 8.230 nan 0.000 0.410 1256 K N 3.328 123.743 120.400 0.025 0.000 2.307 1256 K HA 0.541 4.861 4.320 -0.000 0.000 0.263 1256 K C -1.304 175.297 176.600 0.001 0.000 0.973 1256 K CA -0.733 55.558 56.287 0.007 0.000 0.846 1256 K CB 1.714 34.233 32.500 0.031 0.000 1.100 1256 K HN 0.395 nan 8.250 nan 0.000 0.438 1257 L N 4.779 125.979 121.223 -0.038 0.000 2.334 1257 L HA 0.418 4.758 4.340 -0.000 0.000 0.277 1257 L C -1.540 175.255 176.870 -0.125 0.000 1.075 1257 L CA -0.007 54.849 54.840 0.027 0.000 0.804 1257 L CB 0.586 42.685 42.059 0.067 0.000 1.174 1257 L HN 0.584 nan 8.230 nan 0.000 0.438 1258 Y N 1.623 121.981 120.300 0.096 0.000 2.570 1258 Y HA 0.448 4.998 4.550 -0.000 0.000 0.345 1258 Y C -0.140 175.745 175.900 -0.024 0.000 1.014 1258 Y CA -0.909 57.211 58.100 0.035 0.000 1.063 1258 Y CB 1.495 39.970 38.460 0.025 0.000 1.272 1258 Y HN 0.738 nan 8.280 nan 0.000 0.477 1259 D N -1.043 119.345 120.400 -0.020 0.000 2.539 1259 D HA 0.092 4.732 4.640 -0.000 0.000 0.276 1259 D C 0.156 176.344 176.300 -0.186 0.000 1.206 1259 D CA -0.535 53.177 54.000 -0.479 0.000 1.081 1259 D CB 0.292 40.559 40.800 -0.889 0.000 1.142 1259 D HN 0.591 nan 8.370 nan 0.000 0.595 1260 D N -2.258 118.060 120.400 -0.137 0.000 2.336 1260 D HA -0.035 4.605 4.640 -0.000 0.000 0.229 1260 D C 0.422 176.724 176.300 0.003 0.000 1.061 1260 D CA 0.206 54.243 54.000 0.061 0.000 0.875 1260 D CB -0.192 40.717 40.800 0.183 0.000 0.904 1260 D HN 0.371 nan 8.370 nan 0.000 0.525 1261 K N -0.900 119.475 120.400 -0.042 0.000 2.358 1261 K HA 0.234 4.554 4.320 -0.000 0.000 0.197 1261 K C 0.139 176.727 176.600 -0.021 0.000 1.025 1261 K CA -0.425 55.847 56.287 -0.024 0.000 1.104 1261 K CB -0.140 32.348 32.500 -0.021 0.000 0.855 1261 K HN -0.213 nan 8.250 nan 0.000 0.531 1262 N N -0.136 118.558 118.700 -0.010 0.000 2.815 1262 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 1262 N C -1.013 174.610 175.510 0.187 0.000 1.114 1262 N CA 0.990 54.055 53.050 0.025 0.000 0.717 1262 N CB -1.564 36.857 38.487 -0.110 0.000 1.074 1262 N HN 0.528 nan 8.380 nan 0.000 0.555 1263 A N -0.156 122.741 122.820 0.127 0.000 2.310 1263 A HA 0.617 4.937 4.320 -0.000 0.000 0.299 1263 A C 0.686 178.307 177.584 0.061 0.000 1.147 1263 A CA -0.013 52.072 52.037 0.080 0.000 0.818 1263 A CB 0.995 19.992 19.000 -0.005 0.000 1.096 1263 A HN 0.266 nan 8.150 nan 0.000 0.495 1264 S N 1.245 116.921 115.700 -0.041 0.000 2.510 1264 S HA 0.256 4.726 4.470 -0.000 0.000 0.279 1264 S C 0.690 175.228 174.600 -0.103 0.000 1.284 1264 S CA -0.402 57.670 58.200 -0.212 0.000 1.059 1264 S CB -0.266 62.818 63.200 -0.195 0.000 0.901 1264 S HN 0.550 nan 8.310 nan 0.000 0.491 1265 L N 4.825 125.980 121.223 -0.113 0.000 2.607 1265 L HA 0.389 4.729 4.340 -0.000 0.000 0.228 1265 L C 1.252 178.118 176.870 -0.006 0.000 1.123 1265 L CA 0.295 55.106 54.840 -0.049 0.000 0.890 1265 L CB -0.667 41.375 42.059 -0.028 0.000 1.103 1265 L HN 0.983 nan 8.230 nan 0.000 0.468 1266 G N 0.145 108.975 108.800 0.050 0.000 2.408 1266 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.682 1266 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.682 1266 G C -1.078 173.868 174.900 0.076 0.000 1.303 1266 G CA -1.015 44.175 45.100 0.150 0.000 0.966 1266 G HN -0.088 nan 8.290 nan 0.000 0.560 1267 L N 0.000 121.238 121.223 0.025 0.000 2.375 1267 L HA 0.511 4.851 4.340 -0.000 0.000 0.271 1267 L C 1.054 177.958 176.870 0.056 0.000 1.107 1267 L CA -1.071 53.734 54.840 -0.058 0.000 0.806 1267 L CB 1.489 43.381 42.059 -0.278 0.000 1.146 1267 L HN 0.467 nan 8.230 nan 0.000 0.447 1268 V N 2.520 122.455 119.914 0.036 0.000 2.529 1268 V HA 0.400 4.520 4.120 -0.000 0.000 0.292 1268 V C 0.755 176.984 176.094 0.225 0.000 1.028 1268 V CA 0.537 62.901 62.300 0.108 0.000 1.074 1268 V CB 0.485 32.301 31.823 -0.013 0.000 0.958 1268 V HN 1.005 nan 8.190 nan 0.000 0.481 1269 G N 3.920 112.906 108.800 0.309 0.000 2.871 1269 G HA2 0.773 4.733 3.960 -0.000 0.000 0.282 1269 G HA3 0.773 4.733 3.960 -0.000 0.000 0.282 1269 G C -0.567 174.573 174.900 0.399 0.000 1.212 1269 G CA 0.186 45.473 45.100 0.311 0.000 0.812 1269 G HN 0.762 nan 8.290 nan 0.000 0.547 1270 T N -2.954 111.799 114.554 0.332 0.000 2.906 1270 T HA 0.673 5.023 4.350 -0.000 0.000 0.295 1270 T C -1.358 173.446 174.700 0.173 0.000 1.061 1270 T CA -0.584 61.665 62.100 0.248 0.000 1.000 1270 T CB 2.222 71.199 68.868 0.181 0.000 1.103 1270 T HN 0.818 nan 8.240 nan 0.000 0.486 1271 H N 1.265 120.320 119.070 -0.025 0.000 2.667 1271 H HA 0.473 5.029 4.556 -0.000 0.000 0.353 1271 H C -0.533 174.574 175.328 -0.368 0.000 1.072 1271 H CA -0.608 55.282 56.048 -0.264 0.000 1.214 1271 H CB 1.484 31.004 29.762 -0.404 0.000 1.600 1271 H HN 0.737 nan 8.280 nan 0.000 0.527 1272 N N 3.304 121.404 118.700 -1.000 0.000 2.458 1272 N HA 0.427 5.167 4.740 -0.000 0.000 0.270 1272 N C -0.351 174.713 175.510 -0.743 0.000 1.102 1272 N CA 0.846 53.509 53.050 -0.645 0.000 0.967 1272 N CB 0.825 39.031 38.487 -0.468 0.000 1.078 1272 N HN 0.922 nan 8.380 nan 0.000 0.471 1273 G N 1.923 110.486 108.800 -0.395 0.000 2.340 1273 G HA2 0.253 4.213 3.960 -0.000 0.000 0.299 1273 G HA3 0.253 4.213 3.960 -0.000 0.000 0.299 1273 G C -2.023 172.891 174.900 0.022 0.000 1.291 1273 G CA -0.495 44.471 45.100 -0.224 0.000 0.841 1273 G HN 0.520 nan 8.290 nan 0.000 0.500 1274 Q N -0.939 118.960 119.800 0.164 0.000 2.397 1274 Q HA 0.753 5.093 4.340 -0.000 0.000 0.275 1274 Q C -0.859 175.198 176.000 0.095 0.000 1.090 1274 Q CA -0.416 55.441 55.803 0.090 0.000 0.809 1274 Q CB 2.745 31.512 28.738 0.048 0.000 1.362 1274 Q HN 0.542 nan 8.270 nan 0.000 0.431 1275 I N 2.016 122.587 120.570 0.003 0.000 2.418 1275 I HA 0.620 4.790 4.170 -0.000 0.000 0.287 1275 I C 0.851 176.980 176.117 0.021 0.000 1.008 1275 I CA -0.344 60.927 61.300 -0.048 0.000 1.104 1275 I CB 1.378 39.267 38.000 -0.184 0.000 1.264 1275 I HN 0.813 nan 8.210 nan 0.000 0.438 1276 G N 6.042 114.850 108.800 0.014 0.000 2.611 1276 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.301 1276 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.301 1276 G C 0.557 175.474 174.900 0.029 0.000 1.233 1276 G CA 0.298 45.414 45.100 0.027 0.000 0.993 1276 G HN 0.655 nan 8.290 nan 0.000 0.553 1277 N N 2.240 120.959 118.700 0.032 0.000 2.268 1277 N HA 0.136 4.876 4.740 -0.000 0.000 0.204 1277 N C -0.108 175.419 175.510 0.027 0.000 1.124 1277 N CA 0.325 53.391 53.050 0.026 0.000 0.838 1277 N CB 0.035 38.535 38.487 0.021 0.000 0.994 1277 N HN 0.460 nan 8.380 nan 0.000 0.489 1278 D N 1.614 122.039 120.400 0.042 0.000 2.361 1278 D HA 0.165 4.805 4.640 -0.000 0.000 0.239 1278 D C -2.002 174.305 176.300 0.012 0.000 1.200 1278 D CA -0.947 53.074 54.000 0.036 0.000 0.915 1278 D CB 0.179 41.033 40.800 0.089 0.000 1.170 1278 D HN 0.041 nan 8.370 nan 0.000 0.444 1279 P HA 0.003 nan 4.420 nan 0.000 0.269 1279 P C 0.110 177.394 177.300 -0.026 0.000 1.215 1279 P CA -0.355 62.731 63.100 -0.023 0.000 0.780 1279 P CB 0.397 32.074 31.700 -0.038 0.000 0.898 1280 N N 2.874 121.560 118.700 -0.023 0.000 2.411 1280 N HA -0.011 4.728 4.740 -0.000 0.000 0.261 1280 N C -0.388 175.103 175.510 -0.032 0.000 1.248 1280 N CA 0.560 53.592 53.050 -0.030 0.000 0.885 1280 N CB 0.198 38.662 38.487 -0.038 0.000 1.062 1280 N HN 0.329 nan 8.380 nan 0.000 0.471 1281 R N 1.488 121.972 120.500 -0.027 0.000 2.764 1281 R HA 0.248 4.588 4.340 -0.000 0.000 0.270 1281 R C -1.436 174.876 176.300 0.019 0.000 1.014 1281 R CA -0.812 55.298 56.100 0.017 0.000 0.904 1281 R CB 1.314 31.632 30.300 0.029 0.000 1.236 1281 R HN 0.510 nan 8.270 nan 0.000 0.466 1282 D N 2.373 122.820 120.400 0.078 0.000 2.411 1282 D HA 0.249 4.889 4.640 -0.000 0.000 0.225 1282 D C -0.200 176.214 176.300 0.189 0.000 1.156 1282 D CA 0.219 54.254 54.000 0.058 0.000 0.874 1282 D CB 0.737 41.568 40.800 0.052 0.000 1.034 1282 D HN 0.252 nan 8.370 nan 0.000 0.502 1283 I N 2.313 122.991 120.570 0.181 0.000 2.437 1283 I HA 0.188 4.358 4.170 -0.000 0.000 0.298 1283 I C 0.610 176.908 176.117 0.302 0.000 0.984 1283 I CA -0.887 60.588 61.300 0.292 0.000 1.214 1283 I CB 1.540 39.670 38.000 0.216 0.000 1.365 1283 I HN 0.039 nan 8.210 nan 0.000 0.469 1284 L N 6.503 127.922 121.223 0.327 0.000 2.416 1284 L HA 0.390 4.730 4.340 -0.000 0.000 0.272 1284 L C -0.282 176.735 176.870 0.245 0.000 1.161 1284 L CA -0.164 54.846 54.840 0.283 0.000 0.845 1284 L CB 0.244 42.431 42.059 0.213 0.000 1.119 1284 L HN 0.518 nan 8.230 nan 0.000 0.464 1285 I N 0.276 120.985 120.570 0.231 0.000 3.279 1285 I HA 0.893 5.063 4.170 -0.000 0.000 0.315 1285 I C -0.756 175.454 176.117 0.155 0.000 1.187 1285 I CA -0.903 60.504 61.300 0.179 0.000 0.953 1285 I CB 2.069 40.193 38.000 0.206 0.000 1.279 1285 I HN 0.468 nan 8.210 nan 0.000 0.465 1286 A N 1.322 124.189 122.820 0.078 0.000 2.330 1286 A HA 0.882 5.202 4.320 -0.000 0.000 0.313 1286 A C -0.645 176.979 177.584 0.068 0.000 1.124 1286 A CA -0.404 51.677 52.037 0.074 0.000 0.774 1286 A CB 1.079 20.080 19.000 0.000 0.000 1.198 1286 A HN 0.903 nan 8.150 nan 0.000 0.465 1287 S N 1.323 117.126 115.700 0.172 0.000 2.548 1287 S HA 0.354 4.824 4.470 -0.000 0.000 0.276 1287 S C 0.087 174.803 174.600 0.193 0.000 1.129 1287 S CA -0.697 57.577 58.200 0.123 0.000 0.931 1287 S CB 1.043 64.267 63.200 0.040 0.000 1.068 1287 S HN 0.638 nan 8.310 nan 0.000 0.480 1288 N N 1.958 120.778 118.700 0.199 0.000 2.515 1288 N HA -0.025 4.715 4.740 -0.000 0.000 0.185 1288 N C 1.104 176.807 175.510 0.321 0.000 1.109 1288 N CA 0.374 53.631 53.050 0.346 0.000 0.903 1288 N CB -0.154 38.492 38.487 0.266 0.000 0.969 1288 N HN 0.836 nan 8.380 nan 0.000 0.450 1289 W N 0.994 122.287 121.300 -0.011 0.000 2.392 1289 W HA -0.157 4.503 4.660 -0.000 0.000 0.279 1289 W C 1.055 177.551 176.519 -0.038 0.000 1.225 1289 W CA 1.009 58.316 57.345 -0.063 0.000 1.233 1289 W CB -0.293 29.038 29.460 -0.215 0.000 1.122 1289 W HN 0.021 nan 8.180 nan 0.000 0.561 1290 Y N -1.065 119.288 120.300 0.088 0.000 2.439 1290 Y HA -0.087 4.463 4.550 -0.000 0.000 0.292 1290 Y C 1.822 177.562 175.900 -0.267 0.000 1.130 1290 Y CA 1.144 59.142 58.100 -0.169 0.000 1.254 1290 Y CB -1.176 37.178 38.460 -0.177 0.000 1.000 1290 Y HN -0.125 nan 8.280 nan 0.000 0.554 1291 F N -0.437 119.545 119.950 0.054 0.000 2.451 1291 F HA -0.128 4.399 4.527 0.000 0.000 0.299 1291 F C 1.935 177.658 175.800 -0.130 0.000 1.101 1291 F CA 0.833 58.820 58.000 -0.022 0.000 1.436 1291 F CB -0.438 38.552 39.000 -0.018 0.000 1.074 1291 F HN 0.049 nan 8.300 nan 0.000 0.553 1292 N N -0.955 117.683 118.700 -0.103 0.000 2.398 1292 N HA -0.063 4.677 4.740 -0.000 0.000 0.188 1292 N C 0.328 175.431 175.510 -0.678 0.000 1.122 1292 N CA 0.702 53.536 53.050 -0.360 0.000 0.866 1292 N CB -0.240 37.972 38.487 -0.459 0.000 0.970 1292 N HN 0.249 nan 8.380 nan 0.000 0.462 1293 H N -1.312 117.565 119.070 -0.320 0.000 2.649 1293 H HA 0.322 4.878 4.556 -0.000 0.000 0.258 1293 H C 1.102 176.344 175.328 -0.144 0.000 1.165 1293 H CA -0.167 55.714 56.048 -0.278 0.000 1.006 1293 H CB 0.355 29.842 29.762 -0.458 0.000 1.743 1293 H HN 0.017 nan 8.280 nan 0.000 0.609 1294 L N 0.103 121.305 121.223 -0.036 0.000 2.349 1294 L HA -0.156 4.184 4.340 -0.000 0.000 0.220 1294 L C 1.700 178.558 176.870 -0.021 0.000 1.130 1294 L CA 1.421 56.250 54.840 -0.020 0.000 0.791 1294 L CB -0.086 41.972 42.059 -0.003 0.000 0.918 1294 L HN 0.225 nan 8.230 nan 0.000 0.444 1295 K N -0.686 119.697 120.400 -0.029 0.000 2.400 1295 K HA 0.011 4.330 4.320 -0.000 0.000 0.194 1295 K C 0.103 176.699 176.600 -0.007 0.000 1.033 1295 K CA -0.133 56.141 56.287 -0.023 0.000 1.021 1295 K CB 0.112 32.591 32.500 -0.034 0.000 0.808 1295 K HN 0.210 nan 8.250 nan 0.000 0.505 1296 D N 1.245 121.651 120.400 0.010 0.000 2.419 1296 D HA -0.056 4.584 4.640 -0.000 0.000 0.236 1296 D C 0.857 177.163 176.300 0.011 0.000 1.165 1296 D CA 0.468 54.484 54.000 0.027 0.000 0.882 1296 D CB 0.783 41.618 40.800 0.059 0.000 1.201 1296 D HN -0.116 nan 8.370 nan 0.000 0.443 1297 K N 0.216 120.625 120.400 0.014 0.000 2.057 1297 K HA -0.000 4.320 4.320 -0.000 0.000 0.206 1297 K C 0.362 176.961 176.600 -0.002 0.000 1.050 1297 K CA 0.769 57.061 56.287 0.008 0.000 0.935 1297 K CB 0.257 32.766 32.500 0.015 0.000 0.715 1297 K HN 0.352 nan 8.250 nan 0.000 0.439 1298 I N 1.649 122.220 120.570 0.001 0.000 2.433 1298 I HA 0.293 4.463 4.170 -0.000 0.000 0.292 1298 I C -0.932 175.177 176.117 -0.013 0.000 1.001 1298 I CA -0.950 60.341 61.300 -0.016 0.000 1.119 1298 I CB 1.487 39.483 38.000 -0.007 0.000 1.289 1298 I HN -0.041 nan 8.210 nan 0.000 0.438 1299 L N 4.115 125.307 121.223 -0.053 0.000 2.455 1299 L HA 0.628 4.968 4.340 -0.000 0.000 0.264 1299 L C 0.943 177.738 176.870 -0.126 0.000 0.968 1299 L CA -0.045 54.777 54.840 -0.030 0.000 0.827 1299 L CB 2.185 44.225 42.059 -0.032 0.000 1.317 1299 L HN 0.679 nan 8.230 nan 0.000 0.407 1300 G N 1.340 110.121 108.800 -0.032 0.000 2.625 1300 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 1300 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 1300 G C 0.918 175.550 174.900 -0.447 0.000 1.132 1300 G CA 0.881 45.898 45.100 -0.139 0.000 0.782 1300 G HN 0.873 nan 8.290 nan 0.000 0.538 1301 C N -0.810 118.089 119.300 -0.668 0.000 2.906 1301 C HA 0.355 4.815 4.460 -0.000 0.000 0.274 1301 C C -0.276 174.434 174.990 -0.465 0.000 1.257 1301 C CA -1.512 57.077 59.018 -0.716 0.000 1.695 1301 C CB -0.487 26.556 27.740 -1.162 0.000 1.958 1301 C HN 0.087 nan 8.230 nan 0.000 0.619 1302 D N 0.753 120.832 120.400 -0.536 0.000 2.225 1302 D HA 0.417 5.057 4.640 -0.000 0.000 0.248 1302 D C -0.894 175.019 176.300 -0.646 0.000 1.096 1302 D CA 0.490 54.242 54.000 -0.413 0.000 0.863 1302 D CB 0.636 41.231 40.800 -0.342 0.000 1.156 1302 D HN 0.616 nan 8.370 nan 0.000 0.450 1303 W N 1.572 122.785 121.300 -0.145 0.000 2.819 1303 W HA 0.362 5.022 4.660 -0.000 0.000 0.337 1303 W C -0.643 175.884 176.519 0.014 0.000 1.077 1303 W CA -0.969 56.317 57.345 -0.100 0.000 1.226 1303 W CB 1.002 30.429 29.460 -0.055 0.000 1.419 1303 W HN 0.205 nan 8.180 nan 0.000 0.502 1304 Y N 1.896 122.400 120.300 0.340 0.000 2.323 1304 Y HA 0.453 5.003 4.550 0.000 0.000 0.331 1304 Y C -0.366 175.697 175.900 0.272 0.000 1.092 1304 Y CA -1.087 57.218 58.100 0.342 0.000 1.150 1304 Y CB 0.602 39.275 38.460 0.356 0.000 1.200 1304 Y HN 0.115 nan 8.280 nan 0.000 0.472 1305 F N 2.526 122.612 119.950 0.228 0.000 2.332 1305 F HA 0.459 4.986 4.527 -0.000 0.000 0.368 1305 F C -0.511 175.403 175.800 0.189 0.000 1.110 1305 F CA -1.184 56.851 58.000 0.057 0.000 1.087 1305 F CB 0.893 39.653 39.000 -0.400 0.000 1.235 1305 F HN 0.064 nan 8.300 nan 0.000 0.470 1306 V N 6.231 126.370 119.914 0.375 0.000 2.328 1306 V HA 0.439 4.559 4.120 -0.000 0.000 0.278 1306 V C -2.218 174.207 176.094 0.552 0.000 1.021 1306 V CA -1.744 60.704 62.300 0.247 0.000 0.838 1306 V CB 1.210 32.940 31.823 -0.155 0.000 0.999 1306 V HN 0.434 nan 8.190 nan 0.000 0.447 1307 P HA 0.356 nan 4.420 nan 0.000 0.287 1307 P C -0.180 177.439 177.300 0.531 0.000 1.279 1307 P CA -0.372 62.977 63.100 0.416 0.000 0.867 1307 P CB 1.394 33.252 31.700 0.262 0.000 1.127 1308 T N -1.130 113.552 114.554 0.213 0.000 2.926 1308 T HA 0.330 4.680 4.350 -0.000 0.000 0.307 1308 T C -0.376 174.398 174.700 0.123 0.000 1.059 1308 T CA -0.020 61.994 62.100 -0.144 0.000 1.122 1308 T CB 0.027 68.661 68.868 -0.391 0.000 0.972 1308 T HN 0.525 nan 8.240 nan 0.000 0.545 1309 D N -0.240 120.258 120.400 0.163 0.000 2.736 1309 D HA 0.202 4.842 4.640 -0.000 0.000 0.223 1309 D C 0.929 177.273 176.300 0.074 0.000 1.231 1309 D CA -0.690 53.363 54.000 0.088 0.000 0.818 1309 D CB 1.527 42.275 40.800 -0.087 0.000 1.587 1309 D HN 0.701 nan 8.370 nan 0.000 0.463 1310 E N 1.261 121.484 120.200 0.038 0.000 2.268 1310 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 1310 E C 1.455 178.140 176.600 0.142 0.000 0.995 1310 E CA 0.753 57.210 56.400 0.095 0.000 0.836 1310 E CB -0.055 29.695 29.700 0.083 0.000 0.763 1310 E HN 0.420 nan 8.360 nan 0.000 0.491 1311 G N 0.437 109.289 108.800 0.086 0.000 2.848 1311 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.208 1311 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.208 1311 G C -0.372 174.530 174.900 0.004 0.000 1.152 1311 G CA -0.193 44.927 45.100 0.033 0.000 0.789 1311 G HN 0.313 nan 8.290 nan 0.000 0.531 1312 W N 1.478 122.711 121.300 -0.111 0.000 2.728 1312 W HA 0.539 5.199 4.660 0.001 0.000 0.324 1312 W C -1.499 175.100 176.519 0.134 0.000 1.012 1312 W CA -0.726 56.601 57.345 -0.029 0.000 1.279 1312 W CB 1.260 30.742 29.460 0.037 0.000 1.289 1312 W HN -0.201 nan 8.180 nan 0.000 0.418 1313 T N 5.426 120.038 114.554 0.096 0.000 2.824 1313 T HA 0.265 4.615 4.350 -0.000 0.000 0.282 1313 T C 0.056 174.751 174.700 -0.008 0.000 0.993 1313 T CA -0.515 61.695 62.100 0.182 0.000 0.967 1313 T CB 1.215 70.130 68.868 0.077 0.000 0.960 1313 T HN 0.190 nan 8.240 nan 0.000 0.441 1314 N N 3.324 122.122 118.700 0.163 0.000 2.513 1314 N HA 0.116 4.856 4.740 -0.000 0.000 0.268 1314 N C 0.059 175.549 175.510 -0.033 0.000 1.180 1314 N CA -0.051 53.080 53.050 0.135 0.000 0.948 1314 N CB 0.623 39.276 38.487 0.276 0.000 1.083 1314 N HN 0.577 nan 8.380 nan 0.000 0.455 1315 D N 0.000 120.260 120.400 -0.233 0.000 6.856 1315 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 1315 D CA 0.000 53.768 54.000 -0.386 0.000 0.868 1315 D CB 0.000 40.225 40.800 -0.958 0.000 0.688 1315 D HN 0.000 nan 8.370 nan 0.000 0.683