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 1yyn_1_A DATA FIRST_RESID 875 DATA SEQUENCE EDIDVILKKS TILNLDINND IISDISGFNS SVITYPDAQL VPGINGKAIH DATA SEQUENCE LVNNESSEVI 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 0.000 176.591 176.600 -0.015 0.000 1.382 875 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 875 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 876 D N 1.200 121.592 120.400 -0.012 0.000 2.316 876 D HA 0.224 4.862 4.640 -0.003 0.000 0.245 876 D C 1.138 177.426 176.300 -0.020 0.000 1.171 876 D CA 0.033 54.023 54.000 -0.016 0.000 0.856 876 D CB 0.581 41.374 40.800 -0.013 0.000 1.090 876 D HN 0.451 nan 8.370 nan 0.000 0.476 877 I N 2.821 123.372 120.570 -0.030 0.000 2.194 877 I HA -0.306 3.862 4.170 -0.003 0.000 0.246 877 I C 1.693 177.791 176.117 -0.032 0.000 1.093 877 I CA 1.036 62.312 61.300 -0.041 0.000 1.355 877 I CB -0.001 37.967 38.000 -0.054 0.000 1.046 877 I HN 0.437 nan 8.210 nan 0.000 0.413 878 D N 0.380 120.763 120.400 -0.028 0.000 2.144 878 D HA -0.126 4.512 4.640 -0.003 0.000 0.199 878 D C 2.329 178.631 176.300 0.002 0.000 0.984 878 D CA 1.233 55.221 54.000 -0.019 0.000 0.834 878 D CB -0.029 40.754 40.800 -0.028 0.000 0.955 878 D HN 0.208 nan 8.370 nan 0.000 0.465 879 V N 1.399 121.314 119.914 0.002 0.000 2.379 879 V HA -0.179 3.939 4.120 -0.003 0.000 0.245 879 V C 2.563 178.677 176.094 0.033 0.000 1.044 879 V CA 0.888 63.197 62.300 0.015 0.000 1.036 879 V CB -0.250 31.578 31.823 0.009 0.000 0.664 879 V HN 0.149 nan 8.190 nan 0.000 0.453 880 I N -0.368 120.215 120.570 0.023 0.000 2.127 880 I HA -0.285 3.883 4.170 -0.003 0.000 0.241 880 I C 2.415 178.577 176.117 0.075 0.000 1.075 880 I CA 1.723 63.042 61.300 0.033 0.000 1.334 880 I CB -0.357 37.641 38.000 -0.004 0.000 1.040 880 I HN 0.251 nan 8.210 nan 0.000 0.405 881 L N 0.464 121.724 121.223 0.063 0.000 2.043 881 L HA -0.263 4.075 4.340 -0.003 0.000 0.212 881 L C 2.719 179.755 176.870 0.278 0.000 1.075 881 L CA 1.361 56.302 54.840 0.167 0.000 0.752 881 L CB -0.617 41.497 42.059 0.092 0.000 0.891 881 L HN 0.268 nan 8.230 nan 0.000 0.432 882 K N 0.974 121.458 120.400 0.139 0.000 2.007 882 K HA -0.154 4.164 4.320 -0.003 0.000 0.206 882 K C 1.987 178.648 176.600 0.101 0.000 1.047 882 K CA 1.541 57.888 56.287 0.099 0.000 0.937 882 K CB -0.039 32.491 32.500 0.050 0.000 0.718 882 K HN 0.233 nan 8.250 nan 0.000 0.438 883 K N 0.283 120.743 120.400 0.099 0.000 2.283 883 K HA -0.002 4.316 4.320 -0.003 0.000 0.202 883 K C 1.861 178.546 176.600 0.142 0.000 1.048 883 K CA 1.112 57.461 56.287 0.103 0.000 0.948 883 K CB 0.068 32.615 32.500 0.079 0.000 0.742 883 K HN 0.022 nan 8.250 nan 0.000 0.458 884 S N 0.490 116.300 115.700 0.184 0.000 2.558 884 S HA 0.010 4.478 4.470 -0.003 0.000 0.217 884 S C 0.347 175.052 174.600 0.174 0.000 0.975 884 S CA 0.258 58.593 58.200 0.225 0.000 0.912 884 S CB 0.298 63.672 63.200 0.291 0.000 0.776 884 S HN 0.211 nan 8.310 nan 0.000 0.526 885 T N 3.154 117.735 114.554 0.045 0.000 2.779 885 T HA 0.276 4.624 4.350 -0.003 0.000 0.296 885 T C 1.175 175.835 174.700 -0.065 0.000 0.938 885 T CA -0.039 61.899 62.100 -0.270 0.000 1.119 885 T CB 0.339 69.039 68.868 -0.279 0.000 0.891 885 T HN 0.414 nan 8.240 nan 0.000 0.526 886 I N 0.910 121.360 120.570 -0.199 0.000 4.082 886 I HA 0.576 4.744 4.170 -0.003 0.000 0.337 886 I C -0.401 175.623 176.117 -0.156 0.000 1.352 886 I CA -0.326 60.829 61.300 -0.241 0.000 1.097 886 I CB 0.464 38.170 38.000 -0.491 0.000 1.048 886 I HN 0.311 nan 8.210 nan 0.000 0.393 887 L N 1.833 122.975 121.223 -0.136 0.000 2.666 887 L HA 0.562 4.900 4.340 -0.003 0.000 0.259 887 L C -2.127 174.687 176.870 -0.093 0.000 0.919 887 L CA -0.286 54.527 54.840 -0.046 0.000 0.927 887 L CB 1.947 43.989 42.059 -0.027 0.000 1.423 887 L HN 0.187 nan 8.230 nan 0.000 0.426 888 N N 5.135 123.843 118.700 0.013 0.000 2.701 888 N HA 0.340 5.078 4.740 -0.003 0.000 0.258 888 N C -1.819 173.757 175.510 0.109 0.000 1.262 888 N CA -0.361 52.703 53.050 0.023 0.000 0.780 888 N CB 0.889 39.375 38.487 -0.002 0.000 1.380 888 N HN 0.672 nan 8.380 nan 0.000 0.548 889 L N 1.439 122.767 121.223 0.176 0.000 2.410 889 L HA 0.311 4.649 4.340 -0.003 0.000 0.273 889 L C 0.419 177.387 176.870 0.162 0.000 1.152 889 L CA 0.081 55.035 54.840 0.190 0.000 0.855 889 L CB 0.515 42.728 42.059 0.258 0.000 1.129 889 L HN 0.450 nan 8.230 nan 0.000 0.463 890 D N 3.163 123.638 120.400 0.125 0.000 2.493 890 D HA 0.531 5.169 4.640 -0.003 0.000 0.239 890 D C -1.006 175.346 176.300 0.086 0.000 1.049 890 D CA -0.418 53.644 54.000 0.103 0.000 1.008 890 D CB 2.184 43.035 40.800 0.085 0.000 1.398 890 D HN 0.085 nan 8.370 nan 0.000 0.513 891 I N 2.661 123.272 120.570 0.068 0.000 2.448 891 I HA 0.333 4.501 4.170 -0.003 0.000 0.281 891 I C -0.720 175.424 176.117 0.045 0.000 1.027 891 I CA -0.681 60.654 61.300 0.058 0.000 1.111 891 I CB 0.663 38.696 38.000 0.056 0.000 1.236 891 I HN 0.181 nan 8.210 nan 0.000 0.452 892 N N 6.793 125.519 118.700 0.043 0.000 2.314 892 N HA 0.315 5.053 4.740 -0.003 0.000 0.294 892 N C -0.124 175.406 175.510 0.033 0.000 1.029 892 N CA -0.475 52.597 53.050 0.036 0.000 0.845 892 N CB 2.005 40.514 38.487 0.036 0.000 1.321 892 N HN 0.393 nan 8.380 nan 0.000 0.481 893 N N 1.761 120.479 118.700 0.030 0.000 2.725 893 N HA -0.188 4.550 4.740 -0.003 0.000 0.249 893 N C -0.913 174.613 175.510 0.026 0.000 1.103 893 N CA 0.873 53.939 53.050 0.026 0.000 0.707 893 N CB -0.708 37.793 38.487 0.023 0.000 1.043 893 N HN 0.744 nan 8.380 nan 0.000 0.553 894 D N -1.884 118.535 120.400 0.031 0.000 3.068 894 D HA -0.173 4.465 4.640 -0.003 0.000 0.218 894 D C -0.240 176.080 176.300 0.033 0.000 1.145 894 D CA 0.878 54.898 54.000 0.033 0.000 0.896 894 D CB -0.858 39.959 40.800 0.028 0.000 1.105 894 D HN 0.418 nan 8.370 nan 0.000 0.423 895 I N 1.217 121.807 120.570 0.034 0.000 2.474 895 I HA 0.402 4.570 4.170 -0.003 0.000 0.294 895 I C 0.751 176.895 176.117 0.045 0.000 1.005 895 I CA -0.724 60.596 61.300 0.033 0.000 1.113 895 I CB 1.756 39.772 38.000 0.027 0.000 1.289 895 I HN -0.130 nan 8.210 nan 0.000 0.436 896 I N 5.433 126.032 120.570 0.048 0.000 2.321 896 I HA 0.393 4.561 4.170 -0.003 0.000 0.291 896 I C 0.269 176.425 176.117 0.066 0.000 0.998 896 I CA -0.068 61.272 61.300 0.066 0.000 1.227 896 I CB 1.398 39.442 38.000 0.074 0.000 1.368 896 I HN 0.668 nan 8.210 nan 0.000 0.466 897 S N 2.851 118.597 115.700 0.078 0.000 2.638 897 S HA 0.473 4.941 4.470 -0.003 0.000 0.274 897 S C -1.282 173.377 174.600 0.098 0.000 1.157 897 S CA -1.025 57.223 58.200 0.079 0.000 0.826 897 S CB 2.204 65.441 63.200 0.062 0.000 1.139 897 S HN 0.556 nan 8.310 nan 0.000 0.474 898 D N 0.294 120.754 120.400 0.101 0.000 2.249 898 D HA 0.426 5.064 4.640 -0.003 0.000 0.246 898 D C 0.710 177.064 176.300 0.089 0.000 1.114 898 D CA -0.764 53.303 54.000 0.111 0.000 0.854 898 D CB 0.622 41.498 40.800 0.128 0.000 1.132 898 D HN 0.669 nan 8.370 nan 0.000 0.461 899 I N 0.831 121.450 120.570 0.081 0.000 4.009 899 I HA 0.164 4.332 4.170 -0.003 0.000 0.331 899 I C 1.193 177.341 176.117 0.052 0.000 1.462 899 I CA -0.369 60.967 61.300 0.059 0.000 1.117 899 I CB 0.170 38.202 38.000 0.053 0.000 1.091 899 I HN 0.230 nan 8.210 nan 0.000 0.410 900 S N 1.443 117.190 115.700 0.079 0.000 2.368 900 S HA 0.129 4.597 4.470 -0.003 0.000 0.224 900 S C 1.735 176.368 174.600 0.054 0.000 1.029 900 S CA 1.419 59.678 58.200 0.098 0.000 0.988 900 S CB -0.309 63.006 63.200 0.193 0.000 0.838 900 S HN 0.757 nan 8.310 nan 0.000 0.462 901 G N -0.196 108.619 108.800 0.025 0.000 2.901 901 G HA2 -0.106 3.852 3.960 -0.003 0.000 0.194 901 G HA3 -0.106 3.852 3.960 -0.003 0.000 0.194 901 G C 0.500 175.259 174.900 -0.235 0.000 1.020 901 G CA -0.024 44.985 45.100 -0.152 0.000 0.787 901 G HN 0.463 nan 8.290 nan 0.000 0.477 902 F N 2.350 122.309 119.950 0.015 0.000 2.802 902 F HA 0.259 4.784 4.527 -0.004 0.000 0.300 902 F C 1.306 177.123 175.800 0.028 0.000 1.168 902 F CA 0.462 58.475 58.000 0.022 0.000 1.433 902 F CB -0.090 38.924 39.000 0.024 0.000 1.115 902 F HN 0.062 nan 8.300 nan 0.000 0.582 903 N N 0.850 119.640 118.700 0.151 0.000 2.705 903 N HA -0.201 4.537 4.740 -0.003 0.000 0.255 903 N C -0.342 175.246 175.510 0.129 0.000 1.008 903 N CA 0.710 53.827 53.050 0.112 0.000 0.742 903 N CB -1.401 37.128 38.487 0.070 0.000 0.906 903 N HN 0.094 nan 8.380 nan 0.000 0.541 904 S N 0.166 115.956 115.700 0.149 0.000 2.533 904 S HA 0.093 4.561 4.470 -0.003 0.000 0.282 904 S C 0.800 175.474 174.600 0.124 0.000 1.304 904 S CA -0.301 57.975 58.200 0.126 0.000 1.063 904 S CB 1.288 64.561 63.200 0.122 0.000 0.881 904 S HN 0.391 nan 8.310 nan 0.000 0.493 905 S N 2.552 118.334 115.700 0.137 0.000 2.549 905 S HA 0.249 4.717 4.470 -0.003 0.000 0.283 905 S C -0.382 174.293 174.600 0.125 0.000 1.320 905 S CA -0.561 57.718 58.200 0.132 0.000 1.058 905 S CB 0.089 63.385 63.200 0.160 0.000 0.882 905 S HN 0.471 nan 8.310 nan 0.000 0.498 906 V N 6.948 126.914 119.914 0.086 0.000 2.407 906 V HA 0.426 4.544 4.120 -0.003 0.000 0.291 906 V C -0.452 175.654 176.094 0.020 0.000 1.018 906 V CA -0.781 61.562 62.300 0.071 0.000 0.842 906 V CB 1.374 33.241 31.823 0.073 0.000 0.996 906 V HN 0.724 nan 8.190 nan 0.000 0.426 907 I N 3.967 124.537 120.570 -0.000 0.000 2.307 907 I HA 0.333 4.501 4.170 -0.003 0.000 0.289 907 I C 0.462 176.468 176.117 -0.185 0.000 1.021 907 I CA 0.038 61.259 61.300 -0.130 0.000 1.224 907 I CB 1.381 39.283 38.000 -0.164 0.000 1.376 907 I HN 0.494 nan 8.210 nan 0.000 0.470 908 T N 6.905 121.334 114.554 -0.208 0.000 2.781 908 T HA 0.400 4.748 4.350 -0.003 0.000 0.305 908 T C 0.003 174.564 174.700 -0.232 0.000 1.001 908 T CA -0.267 61.758 62.100 -0.125 0.000 0.950 908 T CB -0.048 68.797 68.868 -0.038 0.000 0.955 908 T HN 0.136 nan 8.240 nan 0.000 0.471 909 Y N 3.214 123.518 120.300 0.006 0.000 2.385 909 Y HA 0.155 4.703 4.550 -0.003 0.000 0.346 909 Y C -1.005 174.897 175.900 0.003 0.000 1.270 909 Y CA -1.756 56.344 58.100 0.000 0.000 1.472 909 Y CB -0.141 38.314 38.460 -0.009 0.000 1.354 909 Y HN 0.468 nan 8.280 nan 0.000 0.611 910 P HA -0.238 nan 4.420 nan 0.000 0.217 910 P C 0.717 178.057 177.300 0.067 0.000 1.162 910 P CA 2.020 65.167 63.100 0.078 0.000 0.901 910 P CB 0.216 31.962 31.700 0.076 0.000 0.793 911 D N -1.546 118.898 120.400 0.074 0.000 2.336 911 D HA 0.178 4.816 4.640 -0.003 0.000 0.228 911 D C -0.014 176.313 176.300 0.045 0.000 1.120 911 D CA -0.079 53.948 54.000 0.044 0.000 0.839 911 D CB -0.533 40.278 40.800 0.018 0.000 0.932 911 D HN 0.007 nan 8.370 nan 0.000 0.509 912 A N 1.120 123.983 122.820 0.072 0.000 2.376 912 A HA 0.279 4.597 4.320 -0.003 0.000 0.298 912 A C 0.439 178.072 177.584 0.080 0.000 1.271 912 A CA -0.367 51.715 52.037 0.075 0.000 0.926 912 A CB 0.109 19.166 19.000 0.095 0.000 1.141 912 A HN 0.128 nan 8.150 nan 0.000 0.539 913 Q N 1.692 121.550 119.800 0.097 0.000 2.212 913 Q HA 0.654 4.992 4.340 -0.003 0.000 0.238 913 Q C -0.914 175.178 176.000 0.154 0.000 0.955 913 Q CA -0.518 55.360 55.803 0.125 0.000 0.906 913 Q CB 1.362 30.199 28.738 0.165 0.000 1.215 913 Q HN 0.680 nan 8.270 nan 0.000 0.478 914 L N 1.657 122.952 121.223 0.119 0.000 2.322 914 L HA 0.692 5.030 4.340 -0.003 0.000 0.281 914 L C -0.370 176.554 176.870 0.089 0.000 1.014 914 L CA -1.015 53.892 54.840 0.111 0.000 0.815 914 L CB 1.621 43.728 42.059 0.080 0.000 1.247 914 L HN 0.509 nan 8.230 nan 0.000 0.421 915 V N 0.993 120.969 119.914 0.103 0.000 3.159 915 V HA 0.644 4.762 4.120 -0.003 0.000 0.308 915 V C -2.771 173.389 176.094 0.111 0.000 1.190 915 V CA -2.735 59.607 62.300 0.070 0.000 1.037 915 V CB 1.914 33.722 31.823 -0.024 0.000 1.060 915 V HN 0.470 nan 8.190 nan 0.000 0.437 916 P HA 0.307 nan 4.420 nan 0.000 0.262 916 P C 0.210 177.549 177.300 0.065 0.000 1.182 916 P CA 1.143 64.277 63.100 0.057 0.000 0.761 916 P CB 0.369 32.110 31.700 0.068 0.000 0.795 917 G N 1.788 110.487 108.800 -0.167 0.000 2.938 917 G HA2 0.264 4.222 3.960 -0.003 0.000 0.258 917 G HA3 0.264 4.222 3.960 -0.003 0.000 0.258 917 G C 0.567 175.014 174.900 -0.754 0.000 1.356 917 G CA -0.565 44.227 45.100 -0.514 0.000 1.052 917 G HN 0.406 nan 8.290 nan 0.000 0.550 918 I N -0.614 119.319 120.570 -1.062 0.000 2.493 918 I HA 0.068 4.236 4.170 -0.003 0.000 0.254 918 I C 0.560 176.324 176.117 -0.589 0.000 1.160 918 I CA 0.768 61.464 61.300 -1.007 0.000 1.445 918 I CB -0.036 37.001 38.000 -1.606 0.000 1.086 918 I HN 0.425 nan 8.210 nan 0.000 0.433 919 N N 0.163 118.602 118.700 -0.435 0.000 2.946 919 N HA 0.435 5.173 4.740 -0.003 0.000 0.213 919 N C -0.316 175.094 175.510 -0.167 0.000 1.440 919 N CA 0.506 53.417 53.050 -0.232 0.000 0.745 919 N CB 0.239 38.647 38.487 -0.131 0.000 1.471 919 N HN 0.353 nan 8.380 nan 0.000 0.569 920 G N 1.627 110.311 108.800 -0.194 0.000 2.348 920 G HA2 -0.071 3.887 3.960 -0.003 0.000 0.199 920 G HA3 -0.071 3.887 3.960 -0.003 0.000 0.199 920 G C -1.406 173.424 174.900 -0.117 0.000 1.235 920 G CA -0.692 44.337 45.100 -0.118 0.000 1.264 920 G HN 0.403 nan 8.290 nan 0.000 0.543 921 K N 0.269 120.636 120.400 -0.056 0.000 2.258 921 K HA 0.820 5.138 4.320 -0.003 0.000 0.236 921 K C -0.092 176.504 176.600 -0.006 0.000 1.008 921 K CA -0.084 56.193 56.287 -0.016 0.000 0.869 921 K CB 2.119 34.637 32.500 0.031 0.000 1.171 921 K HN 1.163 nan 8.250 nan 0.000 0.447 922 A N 0.963 123.825 122.820 0.069 0.000 2.532 922 A HA 0.610 4.928 4.320 -0.003 0.000 0.290 922 A C -0.920 176.796 177.584 0.221 0.000 1.143 922 A CA -0.847 51.277 52.037 0.144 0.000 0.728 922 A CB 0.699 19.823 19.000 0.207 0.000 1.317 922 A HN 0.632 nan 8.150 nan 0.000 0.414 923 I N 1.614 122.341 120.570 0.262 0.000 2.441 923 I HA 0.216 4.384 4.170 -0.003 0.000 0.287 923 I C 0.138 176.451 176.117 0.327 0.000 1.049 923 I CA 0.119 61.565 61.300 0.243 0.000 1.381 923 I CB 0.624 38.740 38.000 0.194 0.000 1.409 923 I HN 0.668 nan 8.210 nan 0.000 0.523 924 H N 7.376 126.530 119.070 0.141 0.000 2.589 924 H HA 0.505 5.058 4.556 -0.005 0.000 0.335 924 H C -1.402 173.979 175.328 0.087 0.000 1.019 924 H CA -0.821 55.298 56.048 0.119 0.000 1.213 924 H CB 1.342 31.148 29.762 0.074 0.000 1.472 924 H HN 0.462 nan 8.280 nan 0.000 0.508 925 L N 6.141 127.271 121.223 -0.155 0.000 2.307 925 L HA 0.419 4.757 4.340 -0.003 0.000 0.284 925 L C 0.134 176.854 176.870 -0.250 0.000 1.023 925 L CA -1.046 53.703 54.840 -0.150 0.000 0.810 925 L CB 1.648 43.687 42.059 -0.034 0.000 1.231 925 L HN 0.340 nan 8.230 nan 0.000 0.423 926 V N -0.651 119.152 119.914 -0.184 0.000 3.103 926 V HA 0.499 4.617 4.120 -0.003 0.000 0.318 926 V C -0.100 175.935 176.094 -0.098 0.000 1.114 926 V CA -0.928 61.292 62.300 -0.134 0.000 1.020 926 V CB 1.958 33.705 31.823 -0.127 0.000 1.085 926 V HN 0.707 nan 8.190 nan 0.000 0.446 927 N N 3.254 121.893 118.700 -0.101 0.000 2.895 927 N HA 0.278 5.016 4.740 -0.003 0.000 0.277 927 N C -0.801 174.648 175.510 -0.102 0.000 1.185 927 N CA 0.120 53.095 53.050 -0.124 0.000 1.106 927 N CB -0.993 37.384 38.487 -0.183 0.000 1.422 927 N HN 1.063 nan 8.380 nan 0.000 0.521 928 N N -1.404 117.244 118.700 -0.087 0.000 2.555 928 N HA 0.121 4.859 4.740 -0.003 0.000 0.265 928 N C 0.241 175.704 175.510 -0.078 0.000 1.135 928 N CA -0.659 52.347 53.050 -0.074 0.000 0.925 928 N CB 0.856 39.310 38.487 -0.055 0.000 1.662 928 N HN -0.085 nan 8.380 nan 0.000 0.489 929 E N 0.309 120.459 120.200 -0.083 0.000 2.197 929 E HA -0.249 4.099 4.350 -0.003 0.000 0.205 929 E C 0.584 177.112 176.600 -0.121 0.000 1.029 929 E CA 2.069 58.404 56.400 -0.109 0.000 0.828 929 E CB -0.150 29.491 29.700 -0.097 0.000 0.737 929 E HN 0.649 nan 8.360 nan 0.000 0.464 930 S N -0.004 115.658 115.700 -0.064 0.000 2.561 930 S HA -0.012 4.456 4.470 -0.003 0.000 0.225 930 S C 0.962 175.575 174.600 0.021 0.000 0.977 930 S CA -0.007 58.185 58.200 -0.013 0.000 0.926 930 S CB 0.337 63.550 63.200 0.022 0.000 0.769 930 S HN 0.017 nan 8.310 nan 0.000 0.533 931 S N 2.485 118.172 115.700 -0.021 0.000 2.835 931 S HA 0.306 4.774 4.470 -0.003 0.000 0.286 931 S C -0.390 174.203 174.600 -0.012 0.000 1.194 931 S CA -0.669 57.529 58.200 -0.004 0.000 1.031 931 S CB -0.415 62.761 63.200 -0.039 0.000 1.216 931 S HN 0.587 nan 8.310 nan 0.000 0.502 932 E N 1.170 121.401 120.200 0.051 0.000 2.416 932 E HA 0.621 4.969 4.350 -0.003 0.000 0.280 932 E C -1.801 174.930 176.600 0.218 0.000 1.055 932 E CA -1.153 55.278 56.400 0.052 0.000 0.825 932 E CB 1.228 30.870 29.700 -0.096 0.000 1.312 932 E HN 0.171 nan 8.360 nan 0.000 0.452 933 V N 1.719 121.725 119.914 0.154 0.000 2.569 933 V HA 0.444 4.562 4.120 -0.003 0.000 0.301 933 V C -0.685 175.489 176.094 0.133 0.000 1.044 933 V CA -0.546 61.852 62.300 0.163 0.000 0.874 933 V CB 1.463 33.332 31.823 0.076 0.000 1.002 933 V HN 0.620 nan 8.190 nan 0.000 0.424 934 I N 4.572 125.259 120.570 0.195 0.000 2.404 934 I HA 0.501 4.669 4.170 -0.003 0.000 0.293 934 I C -0.618 175.572 176.117 0.122 0.000 0.992 934 I CA -0.948 60.442 61.300 0.150 0.000 1.149 934 I CB 2.193 40.328 38.000 0.223 0.000 1.315 934 I HN 0.264 nan 8.210 nan 0.000 0.446 935 V N 5.416 125.395 119.914 0.108 0.000 2.328 935 V HA 0.152 4.270 4.120 -0.003 0.000 0.278 935 V C -0.248 175.946 176.094 0.168 0.000 1.021 935 V CA -0.608 61.774 62.300 0.137 0.000 0.838 935 V CB 0.895 32.807 31.823 0.149 0.000 0.999 935 V HN 0.555 nan 8.190 nan 0.000 0.447 936 H N 5.169 124.284 119.070 0.075 0.000 2.846 936 H HA 0.340 4.893 4.556 -0.004 0.000 0.278 936 H C 0.306 175.685 175.328 0.084 0.000 1.117 936 H CA -0.475 55.613 56.048 0.067 0.000 1.406 936 H CB 0.318 30.112 29.762 0.054 0.000 1.445 936 H HN 0.536 nan 8.280 nan 0.000 0.469 937 K N 3.583 123.846 120.400 -0.227 0.000 2.484 937 K HA 0.211 4.529 4.320 -0.003 0.000 0.280 937 K C 0.315 176.763 176.600 -0.252 0.000 1.013 937 K CA 0.309 56.507 56.287 -0.148 0.000 1.029 937 K CB 0.493 32.954 32.500 -0.064 0.000 0.902 937 K HN 0.717 nan 8.250 nan 0.000 0.481 938 A N 3.302 126.083 122.820 -0.066 0.000 2.448 938 A HA -0.025 4.293 4.320 -0.003 0.000 0.239 938 A C 1.140 178.712 177.584 -0.020 0.000 1.080 938 A CA -0.096 51.939 52.037 -0.003 0.000 0.779 938 A CB 0.144 19.222 19.000 0.130 0.000 1.026 938 A HN 1.009 nan 8.150 nan 0.000 0.499 939 M N -0.268 119.344 119.600 0.020 0.000 2.460 939 M HA -0.100 4.378 4.480 -0.003 0.000 0.263 939 M C 0.270 176.597 176.300 0.045 0.000 1.071 939 M CA 1.381 56.695 55.300 0.023 0.000 1.096 939 M CB -0.106 32.521 32.600 0.046 0.000 1.408 939 M HN 0.764 nan 8.290 nan 0.000 0.463 940 D N 0.277 120.732 120.400 0.091 0.000 2.348 940 D HA 0.127 4.765 4.640 -0.003 0.000 0.211 940 D C 0.421 176.719 176.300 -0.004 0.000 0.998 940 D CA 0.442 54.510 54.000 0.114 0.000 0.873 940 D CB 0.358 41.343 40.800 0.308 0.000 0.925 940 D HN 0.396 nan 8.370 nan 0.000 0.524 941 I N 0.699 121.237 120.570 -0.052 0.000 2.337 941 I HA 0.187 4.355 4.170 -0.003 0.000 0.285 941 I C -0.408 175.729 176.117 0.033 0.000 1.041 941 I CA -0.122 61.134 61.300 -0.073 0.000 1.199 941 I CB 0.701 38.605 38.000 -0.160 0.000 1.370 941 I HN -0.252 nan 8.210 nan 0.000 0.470 942 E N 6.172 126.384 120.200 0.021 0.000 3.625 942 E HA -0.006 4.342 4.350 -0.003 0.000 0.166 942 E C 0.199 176.671 176.600 -0.213 0.000 0.978 942 E CA -0.175 56.147 56.400 -0.129 0.000 1.429 942 E CB 0.201 29.844 29.700 -0.094 0.000 1.100 942 E HN 0.818 nan 8.360 nan 0.000 0.428 943 Y N -0.304 119.946 120.300 -0.085 0.000 2.173 943 Y HA -0.221 4.327 4.550 -0.003 0.000 0.282 943 Y C 1.260 177.111 175.900 -0.082 0.000 1.192 943 Y CA 1.312 59.373 58.100 -0.065 0.000 1.176 943 Y CB -1.067 37.360 38.460 -0.055 0.000 0.969 943 Y HN 0.077 nan 8.280 nan 0.000 0.519 944 N N 1.944 120.093 118.700 -0.919 0.000 2.668 944 N HA -0.077 4.661 4.740 -0.003 0.000 0.201 944 N C -0.349 175.020 175.510 -0.236 0.000 1.408 944 N CA 0.790 53.492 53.050 -0.581 0.000 0.905 944 N CB -0.860 37.207 38.487 -0.699 0.000 1.093 944 N HN 0.571 nan 8.380 nan 0.000 0.453 945 D N 0.127 120.445 120.400 -0.136 0.000 2.319 945 D HA -0.055 4.583 4.640 -0.003 0.000 0.235 945 D C 0.934 177.260 176.300 0.045 0.000 1.304 945 D CA 0.193 54.172 54.000 -0.034 0.000 0.894 945 D CB 0.501 41.307 40.800 0.010 0.000 1.183 945 D HN -0.065 nan 8.370 nan 0.000 0.472 946 M N 1.853 121.502 119.600 0.082 0.000 2.751 946 M HA -0.083 4.395 4.480 -0.003 0.000 0.374 946 M C -0.094 176.402 176.300 0.326 0.000 1.801 946 M CA 0.861 56.268 55.300 0.178 0.000 1.188 946 M CB -1.504 31.172 32.600 0.128 0.000 2.134 946 M HN 0.535 nan 8.290 nan 0.000 0.470 947 F N 0.747 120.726 119.950 0.048 0.000 2.953 947 F HA -0.326 4.199 4.527 -0.003 0.000 0.292 947 F C 0.180 176.042 175.800 0.104 0.000 0.747 947 F CA 0.311 58.358 58.000 0.078 0.000 1.222 947 F CB -1.696 37.341 39.000 0.061 0.000 1.457 947 F HN 0.506 nan 8.300 nan 0.000 0.383 948 N N 1.513 120.352 118.700 0.232 0.000 2.444 948 N HA 0.226 4.964 4.740 -0.003 0.000 0.271 948 N C 0.032 175.729 175.510 0.311 0.000 1.069 948 N CA -0.368 52.818 53.050 0.226 0.000 0.965 948 N CB 0.408 38.996 38.487 0.169 0.000 1.092 948 N HN 0.062 nan 8.380 nan 0.000 0.476 949 N N 1.577 120.454 118.700 0.296 0.000 2.441 949 N HA 0.238 4.976 4.740 -0.003 0.000 0.251 949 N C -0.575 175.223 175.510 0.481 0.000 1.242 949 N CA 0.322 53.571 53.050 0.332 0.000 0.898 949 N CB 0.097 38.688 38.487 0.172 0.000 1.100 949 N HN 0.473 nan 8.380 nan 0.000 0.443 950 F N -2.685 117.337 119.950 0.120 0.000 2.703 950 F HA 0.590 5.115 4.527 -0.004 0.000 0.308 950 F C -1.045 174.740 175.800 -0.025 0.000 1.126 950 F CA -0.946 57.103 58.000 0.082 0.000 0.959 950 F CB 0.864 40.001 39.000 0.228 0.000 1.297 950 F HN 0.150 nan 8.300 nan 0.000 0.441 951 T N 2.085 116.576 114.554 -0.105 0.000 2.893 951 T HA 0.702 5.050 4.350 -0.003 0.000 0.293 951 T C -1.385 173.207 174.700 -0.181 0.000 1.027 951 T CA -0.688 61.239 62.100 -0.289 0.000 0.988 951 T CB 2.084 70.809 68.868 -0.238 0.000 1.043 951 T HN 0.633 nan 8.240 nan 0.000 0.461 952 V N 3.145 122.825 119.914 -0.391 0.000 2.495 952 V HA 0.818 4.936 4.120 -0.003 0.000 0.298 952 V C -0.193 175.711 176.094 -0.316 0.000 1.031 952 V CA -0.656 61.452 62.300 -0.320 0.000 0.871 952 V CB 1.790 33.403 31.823 -0.350 0.000 0.988 952 V HN 1.085 nan 8.190 nan 0.000 0.432 953 S N 4.314 119.895 115.700 -0.199 0.000 2.564 953 S HA 0.995 5.463 4.470 -0.003 0.000 0.274 953 S C -1.025 173.533 174.600 -0.070 0.000 1.124 953 S CA -0.709 57.267 58.200 -0.374 0.000 0.869 953 S CB 2.470 65.555 63.200 -0.193 0.000 1.105 953 S HN 1.313 nan 8.310 nan 0.000 0.472 954 F N -3.166 116.601 119.950 -0.305 0.000 2.843 954 F HA 0.637 5.161 4.527 -0.003 0.000 0.323 954 F C -2.380 173.410 175.800 -0.018 0.000 1.142 954 F CA -1.744 56.273 58.000 0.029 0.000 0.925 954 F CB 0.029 39.183 39.000 0.255 0.000 1.277 954 F HN 0.659 nan 8.300 nan 0.000 0.446 955 W N 3.101 124.667 121.300 0.443 0.000 2.351 955 W HA 0.706 5.365 4.660 -0.002 0.000 0.311 955 W C -0.848 176.147 176.519 0.793 0.000 1.168 955 W CA -0.512 57.118 57.345 0.474 0.000 1.200 955 W CB 1.661 31.224 29.460 0.173 0.000 1.221 955 W HN 0.631 nan 8.180 nan 0.000 0.519 956 L N 4.171 125.914 121.223 0.867 0.000 2.381 956 L HA 0.651 4.989 4.340 -0.003 0.000 0.268 956 L C -0.845 176.247 176.870 0.370 0.000 0.997 956 L CA -1.173 54.064 54.840 0.663 0.000 0.818 956 L CB 1.741 44.108 42.059 0.513 0.000 1.310 956 L HN 0.472 nan 8.230 nan 0.000 0.416 957 R N 4.136 124.613 120.500 -0.037 0.000 2.510 957 R HA 0.720 5.058 4.340 -0.003 0.000 0.294 957 R C -1.976 174.243 176.300 -0.135 0.000 1.056 957 R CA -0.562 55.343 56.100 -0.325 0.000 0.918 957 R CB 1.647 31.225 30.300 -1.204 0.000 1.187 957 R HN 0.609 nan 8.270 nan 0.000 0.437 958 V N 1.979 121.865 119.914 -0.047 0.000 2.735 958 V HA 0.740 4.858 4.120 -0.003 0.000 0.310 958 V C -2.569 173.465 176.094 -0.100 0.000 1.061 958 V CA -2.411 59.858 62.300 -0.052 0.000 0.913 958 V CB 1.745 33.580 31.823 0.020 0.000 1.005 958 V HN 0.647 nan 8.190 nan 0.000 0.428 959 P HA 0.162 nan 4.420 nan 0.000 0.272 959 P C -0.767 176.447 177.300 -0.143 0.000 1.240 959 P CA -0.406 62.571 63.100 -0.205 0.000 0.791 959 P CB 0.869 32.343 31.700 -0.377 0.000 0.978 960 K N 1.502 121.817 120.400 -0.141 0.000 2.383 960 K HA 0.166 4.484 4.320 -0.003 0.000 0.286 960 K C -0.464 176.010 176.600 -0.210 0.000 1.051 960 K CA -0.413 55.733 56.287 -0.235 0.000 0.974 960 K CB -0.011 32.138 32.500 -0.586 0.000 0.968 960 K HN 0.166 nan 8.250 nan 0.000 0.475 961 V N 4.751 124.591 119.914 -0.122 0.000 2.529 961 V HA -0.060 4.058 4.120 -0.003 0.000 0.292 961 V C 0.627 176.681 176.094 -0.067 0.000 1.028 961 V CA -0.153 62.124 62.300 -0.037 0.000 1.074 961 V CB 0.699 32.541 31.823 0.032 0.000 0.958 961 V HN 0.970 nan 8.190 nan 0.000 0.481 962 S N 4.587 120.262 115.700 -0.042 0.000 2.584 962 S HA 0.382 4.850 4.470 -0.003 0.000 0.270 962 S C 1.402 175.982 174.600 -0.034 0.000 1.346 962 S CA -0.058 58.077 58.200 -0.109 0.000 1.018 962 S CB 1.345 64.425 63.200 -0.199 0.000 0.899 962 S HN 1.079 nan 8.310 nan 0.000 0.542 963 A N 2.522 125.324 122.820 -0.030 0.000 1.892 963 A HA -0.076 4.242 4.320 -0.003 0.000 0.218 963 A C 2.427 180.027 177.584 0.027 0.000 1.188 963 A CA 2.169 54.237 52.037 0.052 0.000 0.631 963 A CB -1.671 17.401 19.000 0.119 0.000 0.822 963 A HN 0.886 nan 8.150 nan 0.000 0.447 964 S N -1.159 114.519 115.700 -0.037 0.000 2.368 964 S HA -0.178 4.290 4.470 -0.003 0.000 0.225 964 S C 1.728 176.344 174.600 0.027 0.000 1.030 964 S CA 1.490 59.662 58.200 -0.046 0.000 0.999 964 S CB -0.561 62.564 63.200 -0.125 0.000 0.844 964 S HN 0.813 nan 8.310 nan 0.000 0.459 965 H N 0.111 119.197 119.070 0.027 0.000 2.462 965 H HA 0.180 4.733 4.556 -0.004 0.000 0.292 965 H C 2.079 177.459 175.328 0.086 0.000 1.049 965 H CA 0.493 56.597 56.048 0.094 0.000 1.334 965 H CB 0.020 29.876 29.762 0.156 0.000 1.404 965 H HN 0.202 nan 8.280 nan 0.000 0.544 966 L N 0.545 121.870 121.223 0.170 0.000 2.056 966 L HA -0.163 4.175 4.340 -0.003 0.000 0.207 966 L C 2.382 179.297 176.870 0.075 0.000 1.078 966 L CA 1.306 56.216 54.840 0.117 0.000 0.749 966 L CB -0.069 42.042 42.059 0.087 0.000 0.901 966 L HN 0.366 nan 8.230 nan 0.000 0.433 967 E N -1.111 119.116 120.200 0.045 0.000 2.076 967 E HA -0.212 4.136 4.350 -0.003 0.000 0.190 967 E C 2.183 178.756 176.600 -0.046 0.000 0.979 967 E CA 0.560 56.965 56.400 0.007 0.000 0.807 967 E CB 0.212 29.912 29.700 0.001 0.000 0.761 967 E HN 0.366 nan 8.360 nan 0.000 0.454 968 Q N -0.327 119.414 119.800 -0.098 0.000 1.967 968 Q HA -0.158 4.180 4.340 -0.003 0.000 0.202 968 Q C 1.013 176.739 176.000 -0.457 0.000 0.985 968 Q CA 1.577 57.170 55.803 -0.349 0.000 0.839 968 Q CB -0.020 28.428 28.738 -0.483 0.000 0.906 968 Q HN 0.411 nan 8.270 nan 0.000 0.423 969 Y N -1.329 118.988 120.300 0.029 0.000 2.636 969 Y HA 0.294 4.842 4.550 -0.003 0.000 0.260 969 Y C 1.726 177.647 175.900 0.035 0.000 1.177 969 Y CA 0.100 58.202 58.100 0.004 0.000 1.209 969 Y CB -0.023 38.401 38.460 -0.060 0.000 1.166 969 Y HN 0.130 nan 8.280 nan 0.000 0.531 970 G N 0.398 109.280 108.800 0.136 0.000 2.475 970 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.220 970 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.220 970 G C 1.614 176.574 174.900 0.100 0.000 1.125 970 G CA 1.888 47.054 45.100 0.111 0.000 0.755 970 G HN 0.446 nan 8.290 nan 0.000 0.565 971 T N -2.666 111.942 114.554 0.091 0.000 3.105 971 T HA 0.171 4.519 4.350 -0.003 0.000 0.253 971 T C 0.688 175.447 174.700 0.098 0.000 1.047 971 T CA -0.265 61.881 62.100 0.076 0.000 0.944 971 T CB -0.176 68.722 68.868 0.051 0.000 1.016 971 T HN 0.303 nan 8.240 nan 0.000 0.544 972 N N 2.039 120.826 118.700 0.145 0.000 2.448 972 N HA 0.044 4.782 4.740 -0.003 0.000 0.250 972 N C -0.603 175.028 175.510 0.202 0.000 1.136 972 N CA -0.179 52.970 53.050 0.164 0.000 0.953 972 N CB 0.485 39.089 38.487 0.196 0.000 1.251 972 N HN 0.464 nan 8.380 nan 0.000 0.502 973 E N 3.819 124.100 120.200 0.134 0.000 2.223 973 E HA 0.041 4.389 4.350 -0.003 0.000 0.282 973 E C -1.306 175.374 176.600 0.134 0.000 1.046 973 E CA -0.491 55.964 56.400 0.092 0.000 0.857 973 E CB 0.465 30.183 29.700 0.030 0.000 1.055 973 E HN 0.540 nan 8.360 nan 0.000 0.409 974 Y N 1.245 121.539 120.300 -0.010 0.000 2.425 974 Y HA 0.481 5.029 4.550 -0.004 0.000 0.344 974 Y C -0.429 175.462 175.900 -0.016 0.000 0.969 974 Y CA -1.426 56.655 58.100 -0.031 0.000 1.052 974 Y CB 0.818 39.243 38.460 -0.059 0.000 1.215 974 Y HN 0.287 nan 8.280 nan 0.000 0.451 975 S N 3.317 119.004 115.700 -0.020 0.000 2.632 975 S HA 0.532 5.000 4.470 -0.003 0.000 0.271 975 S C 0.406 174.997 174.600 -0.014 0.000 1.260 975 S CA -0.185 57.974 58.200 -0.069 0.000 1.010 975 S CB 0.924 64.099 63.200 -0.041 0.000 0.965 975 S HN 1.030 nan 8.310 nan 0.000 0.534 976 I N -1.973 118.580 120.570 -0.029 0.000 4.471 976 I HA 0.536 4.704 4.170 -0.003 0.000 0.326 976 I C -0.391 175.701 176.117 -0.041 0.000 1.300 976 I CA -0.301 60.999 61.300 0.000 0.000 1.237 976 I CB 0.190 38.196 38.000 0.010 0.000 1.195 976 I HN 0.436 nan 8.210 nan 0.000 0.427 977 I N 1.093 121.654 120.570 -0.015 0.000 2.586 977 I HA 0.438 4.606 4.170 -0.003 0.000 0.288 977 I C -0.890 175.261 176.117 0.057 0.000 1.147 977 I CA -0.424 60.867 61.300 -0.014 0.000 1.047 977 I CB 2.138 40.136 38.000 -0.003 0.000 1.244 977 I HN 0.055 nan 8.210 nan 0.000 0.429 978 S N 2.427 118.041 115.700 -0.142 0.000 2.546 978 S HA 0.497 4.965 4.470 -0.003 0.000 0.274 978 S C 0.208 174.432 174.600 -0.627 0.000 1.121 978 S CA -0.249 57.734 58.200 -0.361 0.000 0.887 978 S CB 1.854 64.917 63.200 -0.229 0.000 1.094 978 S HN 0.696 nan 8.310 nan 0.000 0.474 979 S N 3.063 118.157 115.700 -1.010 0.000 2.578 979 S HA 0.415 4.883 4.470 -0.003 0.000 0.231 979 S C 0.255 174.543 174.600 -0.520 0.000 0.994 979 S CA -0.465 57.222 58.200 -0.856 0.000 0.956 979 S CB -0.345 62.050 63.200 -1.342 0.000 0.870 979 S HN 0.641 nan 8.310 nan 0.000 0.494 980 M N 1.969 121.317 119.600 -0.419 0.000 2.314 980 M HA 0.442 4.920 4.480 -0.003 0.000 0.342 980 M C 0.115 176.303 176.300 -0.187 0.000 1.171 980 M CA -0.375 54.769 55.300 -0.260 0.000 1.098 980 M CB 0.980 33.453 32.600 -0.212 0.000 1.559 980 M HN -0.106 nan 8.290 nan 0.000 0.459 981 K N 3.218 123.539 120.400 -0.131 0.000 2.484 981 K HA 0.242 4.560 4.320 -0.003 0.000 0.226 981 K C -1.066 175.504 176.600 -0.051 0.000 1.031 981 K CA -0.278 55.955 56.287 -0.089 0.000 1.026 981 K CB 0.399 32.858 32.500 -0.068 0.000 1.412 981 K HN 0.504 nan 8.250 nan 0.000 0.492 982 K N 1.784 122.150 120.400 -0.057 0.000 2.326 982 K HA 0.086 4.404 4.320 -0.003 0.000 0.275 982 K C -0.443 176.223 176.600 0.109 0.000 1.018 982 K CA -0.090 56.200 56.287 0.005 0.000 0.962 982 K CB 0.232 32.694 32.500 -0.063 0.000 0.953 982 K HN 0.512 nan 8.250 nan 0.000 0.475 983 H N -0.611 118.431 119.070 -0.048 0.000 3.286 983 H HA -0.138 4.417 4.556 -0.003 0.000 0.372 983 H C 0.359 175.663 175.328 -0.040 0.000 1.304 983 H CA 0.757 56.780 56.048 -0.042 0.000 1.285 983 H CB -1.479 28.257 29.762 -0.044 0.000 1.529 983 H HN 0.751 nan 8.280 nan 0.000 0.449 984 S N -1.159 114.558 115.700 0.028 0.000 7.248 984 S HA 0.231 4.699 4.470 -0.003 0.000 0.048 984 S C -0.796 173.795 174.600 -0.014 0.000 1.475 984 S CA 0.955 59.154 58.200 -0.002 0.000 1.051 984 S CB -0.681 62.521 63.200 0.004 0.000 1.151 984 S HN 0.694 nan 8.310 nan 0.000 0.540 985 L N 0.397 121.613 121.223 -0.011 0.000 2.951 985 L HA 0.632 4.970 4.340 -0.003 0.000 0.230 985 L C 0.120 176.977 176.870 -0.022 0.000 0.840 985 L CA 0.554 55.384 54.840 -0.018 0.000 1.377 985 L CB -0.961 41.086 42.059 -0.020 0.000 1.599 985 L HN 1.121 nan 8.230 nan 0.000 0.447 986 S N 3.189 118.873 115.700 -0.027 0.000 3.245 986 S HA -0.123 4.345 4.470 -0.003 0.000 0.306 986 S C 0.447 175.023 174.600 -0.040 0.000 0.878 986 S CA 0.304 58.482 58.200 -0.036 0.000 1.354 986 S CB -2.355 60.816 63.200 -0.047 0.000 0.969 986 S HN 1.616 nan 8.310 nan 0.000 0.493 987 I N -0.954 119.597 120.570 -0.032 0.000 3.298 987 I HA 0.247 4.415 4.170 -0.003 0.000 0.327 987 I C 1.490 177.580 176.117 -0.044 0.000 1.247 987 I CA 1.187 62.469 61.300 -0.031 0.000 1.416 987 I CB -2.014 35.972 38.000 -0.024 0.000 1.360 987 I HN 1.543 nan 8.210 nan 0.000 0.507 988 G N 4.348 113.118 108.800 -0.051 0.000 2.212 988 G HA2 -0.375 3.583 3.960 -0.003 0.000 0.267 988 G HA3 -0.375 3.583 3.960 -0.003 0.000 0.267 988 G C 0.980 175.819 174.900 -0.102 0.000 1.002 988 G CA 0.965 46.022 45.100 -0.072 0.000 0.729 988 G HN 1.124 nan 8.290 nan 0.000 0.517 989 S N -1.414 114.225 115.700 -0.102 0.000 3.420 989 S HA -0.355 4.113 4.470 -0.003 0.000 0.537 989 S C 2.311 176.831 174.600 -0.133 0.000 0.928 989 S CA 2.945 61.071 58.200 -0.123 0.000 3.390 989 S CB -1.181 61.925 63.200 -0.157 0.000 2.342 989 S HN 2.013 nan 8.310 nan 0.000 0.516 990 G N 0.281 108.961 108.800 -0.200 0.000 2.508 990 G HA2 0.502 4.460 3.960 -0.003 0.000 0.217 990 G HA3 0.502 4.460 3.960 -0.003 0.000 0.217 990 G C -0.062 174.764 174.900 -0.124 0.000 2.004 990 G CA 0.319 45.307 45.100 -0.187 0.000 0.750 990 G HN 0.753 nan 8.290 nan 0.000 0.730 991 W N 0.122 121.343 121.300 -0.131 0.000 3.032 991 W HA 0.720 5.378 4.660 -0.004 0.000 0.341 991 W C -0.761 175.605 176.519 -0.255 0.000 1.202 991 W CA -0.550 56.620 57.345 -0.290 0.000 1.132 991 W CB 0.936 30.189 29.460 -0.344 0.000 1.465 991 W HN 0.777 nan 8.180 nan 0.000 0.576 992 S N -0.249 115.505 115.700 0.090 0.000 2.587 992 S HA 0.619 5.087 4.470 -0.003 0.000 0.269 992 S C -2.000 172.764 174.600 0.274 0.000 1.154 992 S CA -0.820 57.509 58.200 0.214 0.000 0.824 992 S CB 1.878 65.064 63.200 -0.022 0.000 1.118 992 S HN 0.542 nan 8.310 nan 0.000 0.462 993 V N 2.691 122.824 119.914 0.364 0.000 2.350 993 V HA 0.772 4.890 4.120 -0.003 0.000 0.285 993 V C 0.021 176.194 176.094 0.133 0.000 1.014 993 V CA -0.100 62.416 62.300 0.359 0.000 0.831 993 V CB 0.899 32.983 31.823 0.434 0.000 1.000 993 V HN 1.152 nan 8.190 nan 0.000 0.433 994 S N 5.758 121.495 115.700 0.062 0.000 2.638 994 S HA 0.898 5.366 4.470 -0.003 0.000 0.302 994 S C -1.008 173.490 174.600 -0.170 0.000 1.096 994 S CA -0.906 57.228 58.200 -0.109 0.000 0.953 994 S CB 2.148 65.290 63.200 -0.098 0.000 1.107 994 S HN 0.410 nan 8.310 nan 0.000 0.503 995 L N 0.781 121.727 121.223 -0.462 0.000 2.362 995 L HA 0.654 4.992 4.340 -0.003 0.000 0.271 995 L C -0.454 176.238 176.870 -0.298 0.000 1.002 995 L CA -0.544 54.057 54.840 -0.399 0.000 0.818 995 L CB 2.170 43.904 42.059 -0.542 0.000 1.298 995 L HN 0.791 nan 8.230 nan 0.000 0.420 996 K N 2.087 122.451 120.400 -0.059 0.000 2.690 996 K HA 0.504 4.822 4.320 -0.003 0.000 0.243 996 K C 0.305 176.948 176.600 0.072 0.000 0.982 996 K CA 0.281 56.591 56.287 0.039 0.000 0.955 996 K CB 1.333 33.849 32.500 0.028 0.000 1.185 996 K HN 0.772 nan 8.250 nan 0.000 0.467 997 G N 3.851 112.725 108.800 0.124 0.000 2.596 997 G HA2 -0.386 3.572 3.960 -0.003 0.000 0.304 997 G HA3 -0.386 3.572 3.960 -0.003 0.000 0.304 997 G C 0.141 175.090 174.900 0.082 0.000 1.189 997 G CA 0.491 45.655 45.100 0.106 0.000 0.986 997 G HN 0.751 nan 8.290 nan 0.000 0.548 998 N N 2.099 120.830 118.700 0.052 0.000 2.451 998 N HA 0.232 4.970 4.740 -0.003 0.000 0.264 998 N C -0.583 174.943 175.510 0.027 0.000 1.167 998 N CA -0.311 52.765 53.050 0.043 0.000 0.898 998 N CB 0.090 38.590 38.487 0.021 0.000 1.176 998 N HN 0.309 nan 8.380 nan 0.000 0.507 999 N N 1.261 119.985 118.700 0.039 0.000 2.362 999 N HA 0.277 5.015 4.740 -0.003 0.000 0.298 999 N C -1.329 174.240 175.510 0.099 0.000 1.048 999 N CA -0.506 52.569 53.050 0.041 0.000 0.858 999 N CB 2.477 40.975 38.487 0.019 0.000 1.218 999 N HN 0.045 nan 8.380 nan 0.000 0.488 1000 L N 3.128 124.470 121.223 0.198 0.000 2.298 1000 L HA 0.597 4.935 4.340 -0.003 0.000 0.284 1000 L C -1.057 175.927 176.870 0.190 0.000 1.013 1000 L CA -0.372 54.589 54.840 0.202 0.000 0.824 1000 L CB 0.472 42.692 42.059 0.267 0.000 1.221 1000 L HN 0.444 nan 8.230 nan 0.000 0.418 1001 I N 5.072 125.729 120.570 0.147 0.000 2.433 1001 I HA 0.331 4.499 4.170 -0.003 0.000 0.292 1001 I C -1.103 175.169 176.117 0.259 0.000 1.001 1001 I CA -0.441 60.957 61.300 0.164 0.000 1.119 1001 I CB 1.705 39.756 38.000 0.084 0.000 1.289 1001 I HN 0.666 nan 8.210 nan 0.000 0.438 1002 W N 6.658 127.993 121.300 0.057 0.000 2.475 1002 W HA 0.534 5.191 4.660 -0.004 0.000 0.317 1002 W C -1.466 175.104 176.519 0.086 0.000 1.046 1002 W CA -0.437 56.954 57.345 0.076 0.000 1.215 1002 W CB 1.952 31.425 29.460 0.022 0.000 1.335 1002 W HN 0.390 nan 8.180 nan 0.000 0.471 1003 T N 6.782 121.061 114.554 -0.458 0.000 2.861 1003 T HA 0.511 4.859 4.350 -0.003 0.000 0.287 1003 T C -0.699 173.669 174.700 -0.554 0.000 1.003 1003 T CA -0.553 61.316 62.100 -0.385 0.000 0.977 1003 T CB 1.847 70.612 68.868 -0.172 0.000 0.996 1003 T HN 0.328 nan 8.240 nan 0.000 0.448 1004 L N 2.969 124.006 121.223 -0.310 0.000 2.356 1004 L HA 0.617 4.955 4.340 -0.003 0.000 0.277 1004 L C -0.380 176.453 176.870 -0.062 0.000 0.996 1004 L CA -0.723 54.036 54.840 -0.135 0.000 0.822 1004 L CB 1.774 43.831 42.059 -0.003 0.000 1.256 1004 L HN 0.462 nan 8.230 nan 0.000 0.413 1005 K N 2.800 123.174 120.400 -0.043 0.000 2.507 1005 K HA 0.314 4.632 4.320 -0.003 0.000 0.252 1005 K C -1.218 175.362 176.600 -0.033 0.000 0.943 1005 K CA -0.700 55.562 56.287 -0.042 0.000 0.808 1005 K CB 1.744 34.209 32.500 -0.059 0.000 1.142 1005 K HN 0.584 nan 8.250 nan 0.000 0.426 1006 D N 1.665 122.050 120.400 -0.025 0.000 2.387 1006 D HA 0.015 4.653 4.640 -0.003 0.000 0.251 1006 D C 0.825 177.112 176.300 -0.022 0.000 1.141 1006 D CA -0.485 53.502 54.000 -0.021 0.000 0.987 1006 D CB 1.367 42.160 40.800 -0.012 0.000 1.116 1006 D HN 0.399 nan 8.370 nan 0.000 0.491 1007 S N -0.825 114.864 115.700 -0.019 0.000 2.537 1007 S HA -0.039 4.429 4.470 -0.003 0.000 0.240 1007 S C 1.343 175.938 174.600 -0.009 0.000 0.981 1007 S CA 0.330 58.519 58.200 -0.018 0.000 0.948 1007 S CB -0.529 62.661 63.200 -0.016 0.000 0.759 1007 S HN 0.677 nan 8.310 nan 0.000 0.531 1008 A N 0.146 122.965 122.820 -0.002 0.000 2.708 1008 A HA 0.699 5.017 4.320 -0.003 0.000 0.293 1008 A C 1.430 179.014 177.584 0.000 0.000 1.303 1008 A CA 0.106 52.145 52.037 0.003 0.000 0.949 1008 A CB -0.967 18.041 19.000 0.015 0.000 1.121 1008 A HN 1.188 nan 8.150 nan 0.000 0.542 1009 G N -0.076 108.720 108.800 -0.007 0.000 5.219 1009 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.267 1009 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.267 1009 G C 0.041 174.935 174.900 -0.010 0.000 1.495 1009 G CA -0.080 45.015 45.100 -0.009 0.000 0.988 1009 G HN 0.558 nan 8.290 nan 0.000 0.707 1010 E N 1.185 121.383 120.200 -0.004 0.000 3.254 1010 E HA 0.091 4.439 4.350 -0.003 0.000 0.321 1010 E C 0.719 177.311 176.600 -0.013 0.000 0.718 1010 E CA 1.360 57.757 56.400 -0.005 0.000 1.140 1010 E CB -0.354 29.346 29.700 -0.000 0.000 0.764 1010 E HN 1.670 nan 8.360 nan 0.000 0.501 1011 V N 1.645 121.551 119.914 -0.012 0.000 2.823 1011 V HA 0.788 4.906 4.120 -0.003 0.000 0.312 1011 V C -0.016 176.071 176.094 -0.011 0.000 1.072 1011 V CA -1.117 61.171 62.300 -0.020 0.000 0.937 1011 V CB 2.789 34.598 31.823 -0.024 0.000 1.013 1011 V HN 0.417 nan 8.190 nan 0.000 0.430 1012 R N 2.276 122.768 120.500 -0.014 0.000 2.744 1012 R HA 0.710 5.048 4.340 -0.003 0.000 0.279 1012 R C -1.141 175.164 176.300 0.008 0.000 0.977 1012 R CA -0.573 55.531 56.100 0.008 0.000 0.906 1012 R CB 2.359 32.674 30.300 0.025 0.000 1.197 1012 R HN 0.973 nan 8.270 nan 0.000 0.463 1013 Q N 1.229 121.054 119.800 0.042 0.000 2.462 1013 Q HA 0.589 4.927 4.340 -0.003 0.000 0.285 1013 Q C -0.942 175.125 176.000 0.111 0.000 1.035 1013 Q CA -0.784 55.059 55.803 0.067 0.000 0.799 1013 Q CB 3.267 32.028 28.738 0.039 0.000 1.452 1013 Q HN 0.462 nan 8.270 nan 0.000 0.404 1014 I N 1.306 121.977 120.570 0.167 0.000 2.468 1014 I HA 0.325 4.493 4.170 -0.003 0.000 0.285 1014 I C -0.845 175.362 176.117 0.149 0.000 1.039 1014 I CA -0.424 60.965 61.300 0.148 0.000 1.074 1014 I CB 2.225 40.324 38.000 0.164 0.000 1.228 1014 I HN 0.414 nan 8.210 nan 0.000 0.436 1015 T N 6.293 120.913 114.554 0.109 0.000 2.772 1015 T HA 0.376 4.724 4.350 -0.003 0.000 0.288 1015 T C -0.722 174.054 174.700 0.127 0.000 0.994 1015 T CA -0.276 61.887 62.100 0.105 0.000 0.951 1015 T CB 0.726 69.627 68.868 0.055 0.000 0.933 1015 T HN 0.252 nan 8.240 nan 0.000 0.447 1016 F N 4.416 124.371 119.950 0.008 0.000 2.404 1016 F HA 0.512 5.037 4.527 -0.004 0.000 0.354 1016 F C 0.183 175.992 175.800 0.015 0.000 1.122 1016 F CA -1.229 56.767 58.000 -0.007 0.000 1.080 1016 F CB 0.674 39.654 39.000 -0.033 0.000 1.131 1016 F HN 0.349 nan 8.300 nan 0.000 0.471 1017 R N 4.687 124.748 120.500 -0.733 0.000 2.229 1017 R HA 0.174 4.512 4.340 -0.003 0.000 0.332 1017 R C -0.676 175.064 176.300 -0.934 0.000 0.989 1017 R CA -0.908 54.847 56.100 -0.576 0.000 0.842 1017 R CB 0.863 30.989 30.300 -0.290 0.000 1.119 1017 R HN 0.627 nan 8.270 nan 0.000 0.456 1018 D N 2.152 122.193 120.400 -0.598 0.000 2.362 1018 D HA 0.058 4.696 4.640 -0.003 0.000 0.238 1018 D C 0.106 176.312 176.300 -0.157 0.000 1.212 1018 D CA -0.086 53.732 54.000 -0.304 0.000 0.902 1018 D CB 0.824 41.647 40.800 0.039 0.000 1.180 1018 D HN 0.250 nan 8.370 nan 0.000 0.445 1019 L N 2.720 123.935 121.223 -0.013 0.000 2.439 1019 L HA 0.147 4.485 4.340 -0.003 0.000 0.269 1019 L C -1.284 175.556 176.870 -0.050 0.000 1.179 1019 L CA -1.267 53.565 54.840 -0.013 0.000 0.828 1019 L CB 0.413 42.481 42.059 0.016 0.000 1.106 1019 L HN 0.415 nan 8.230 nan 0.000 0.467 1020 P HA -0.144 nan 4.420 nan 0.000 0.215 1020 P C 0.049 177.110 177.300 -0.398 0.000 1.157 1020 P CA 1.004 64.035 63.100 -0.116 0.000 0.863 1020 P CB 0.104 31.837 31.700 0.055 0.000 0.787 1021 D N 0.201 120.263 120.400 -0.563 0.000 2.367 1021 D HA -0.042 4.596 4.640 -0.003 0.000 0.255 1021 D C 0.919 177.163 176.300 -0.094 0.000 1.300 1021 D CA 0.149 53.799 54.000 -0.584 0.000 0.959 1021 D CB 0.231 40.854 40.800 -0.295 0.000 1.064 1021 D HN -0.177 nan 8.370 nan 0.000 0.509 1022 K N 3.058 123.480 120.400 0.036 0.000 2.280 1022 K HA -0.161 4.157 4.320 -0.003 0.000 0.202 1022 K C 1.594 178.430 176.600 0.394 0.000 1.047 1022 K CA 0.348 56.706 56.287 0.119 0.000 0.942 1022 K CB -0.444 31.957 32.500 -0.165 0.000 0.739 1022 K HN 0.488 nan 8.250 nan 0.000 0.457 1023 F N 2.118 122.275 119.950 0.346 0.000 2.216 1023 F HA -0.116 4.409 4.527 -0.003 0.000 0.300 1023 F C 0.981 176.869 175.800 0.146 0.000 1.085 1023 F CA 1.184 59.380 58.000 0.327 0.000 1.326 1023 F CB 0.202 39.338 39.000 0.226 0.000 1.027 1023 F HN 0.050 nan 8.300 nan 0.000 0.497 1024 N N 0.223 119.030 118.700 0.179 0.000 2.204 1024 N HA 0.253 4.991 4.740 -0.003 0.000 0.219 1024 N C 0.124 175.492 175.510 -0.238 0.000 1.151 1024 N CA 0.454 53.484 53.050 -0.032 0.000 0.867 1024 N CB 0.311 38.839 38.487 0.068 0.000 1.043 1024 N HN 0.158 nan 8.380 nan 0.000 0.516 1025 A N -0.198 122.538 122.820 -0.140 0.000 2.296 1025 A HA 0.355 4.673 4.320 -0.003 0.000 0.264 1025 A C 0.319 177.751 177.584 -0.254 0.000 1.097 1025 A CA -0.064 51.870 52.037 -0.171 0.000 0.811 1025 A CB 0.339 19.337 19.000 -0.002 0.000 1.072 1025 A HN 0.179 nan 8.150 nan 0.000 0.495 1026 Y N -0.634 119.763 120.300 0.162 0.000 2.509 1026 Y HA 0.234 4.781 4.550 -0.004 0.000 0.270 1026 Y C 0.701 176.684 175.900 0.139 0.000 1.103 1026 Y CA 0.456 58.639 58.100 0.139 0.000 1.278 1026 Y CB 0.199 38.731 38.460 0.120 0.000 1.087 1026 Y HN 0.355 nan 8.280 nan 0.000 0.542 1027 L N 0.327 121.711 121.223 0.268 0.000 2.959 1027 L HA 0.593 4.931 4.340 -0.003 0.000 0.236 1027 L C 0.166 177.102 176.870 0.110 0.000 1.296 1027 L CA -0.324 54.625 54.840 0.182 0.000 1.047 1027 L CB 0.173 42.341 42.059 0.181 0.000 1.395 1027 L HN 0.009 nan 8.230 nan 0.000 0.492 1028 A N 0.863 123.763 122.820 0.133 0.000 3.415 1028 A HA 0.273 4.591 4.320 -0.003 0.000 0.244 1028 A C 0.711 178.477 177.584 0.303 0.000 0.988 1028 A CA -0.323 51.804 52.037 0.151 0.000 0.991 1028 A CB -0.065 19.038 19.000 0.172 0.000 1.240 1028 A HN 0.655 nan 8.150 nan 0.000 0.541 1029 N N -0.619 118.166 118.700 0.142 0.000 2.965 1029 N HA -0.139 4.599 4.740 -0.003 0.000 0.232 1029 N C -0.268 175.360 175.510 0.196 0.000 0.913 1029 N CA 1.143 54.219 53.050 0.043 0.000 0.981 1029 N CB -0.534 37.839 38.487 -0.189 0.000 1.077 1029 N HN 0.659 nan 8.380 nan 0.000 0.589 1030 K N 0.222 120.781 120.400 0.266 0.000 2.159 1030 K HA 0.172 4.490 4.320 -0.003 0.000 0.266 1030 K C -0.659 176.134 176.600 0.321 0.000 0.975 1030 K CA -0.492 55.984 56.287 0.315 0.000 0.865 1030 K CB 0.764 33.410 32.500 0.244 0.000 1.087 1030 K HN 0.076 nan 8.250 nan 0.000 0.446 1031 W N 3.190 124.719 121.300 0.382 0.000 2.322 1031 W HA 0.082 4.738 4.660 -0.006 0.000 0.328 1031 W C 0.364 177.270 176.519 0.644 0.000 1.395 1031 W CA -0.307 57.312 57.345 0.457 0.000 1.267 1031 W CB 0.544 30.201 29.460 0.328 0.000 1.259 1031 W HN 0.220 nan 8.180 nan 0.000 0.560 1032 V N 2.624 123.038 119.914 0.834 0.000 2.876 1032 V HA 0.544 4.662 4.120 -0.003 0.000 0.312 1032 V C -1.255 174.918 176.094 0.133 0.000 1.085 1032 V CA -1.488 61.112 62.300 0.499 0.000 0.945 1032 V CB 1.828 33.833 31.823 0.303 0.000 1.017 1032 V HN 0.284 nan 8.190 nan 0.000 0.428 1033 F N 5.395 124.966 119.950 -0.630 0.000 2.390 1033 F HA 0.704 5.229 4.527 -0.004 0.000 0.361 1033 F C -0.235 175.036 175.800 -0.881 0.000 1.124 1033 F CA -1.607 55.674 58.000 -1.198 0.000 1.149 1033 F CB 0.697 38.757 39.000 -1.565 0.000 1.160 1033 F HN 0.399 nan 8.300 nan 0.000 0.501 1034 I N 5.345 125.102 120.570 -1.355 0.000 2.353 1034 I HA 0.317 4.485 4.170 -0.003 0.000 0.293 1034 I C -0.096 175.078 176.117 -1.573 0.000 0.992 1034 I CA -0.342 60.144 61.300 -1.357 0.000 1.268 1034 I CB 1.163 38.286 38.000 -1.462 0.000 1.387 1034 I HN 0.480 nan 8.210 nan 0.000 0.478 1035 T N 7.258 121.145 114.554 -1.111 0.000 2.949 1035 T HA 0.607 4.955 4.350 -0.003 0.000 0.300 1035 T C -0.195 174.135 174.700 -0.618 0.000 0.988 1035 T CA -0.296 61.266 62.100 -0.896 0.000 0.993 1035 T CB 1.416 69.780 68.868 -0.840 0.000 0.984 1035 T HN 0.262 nan 8.240 nan 0.000 0.442 1036 I N 3.648 123.807 120.570 -0.686 0.000 2.411 1036 I HA 0.374 4.542 4.170 -0.003 0.000 0.284 1036 I C 0.635 176.309 176.117 -0.739 0.000 1.012 1036 I CA -0.730 60.102 61.300 -0.781 0.000 1.119 1036 I CB 1.783 38.997 38.000 -1.311 0.000 1.261 1036 I HN 0.629 nan 8.210 nan 0.000 0.448 1037 T N 2.061 116.315 114.554 -0.499 0.000 2.902 1037 T HA 0.466 4.814 4.350 -0.003 0.000 0.283 1037 T C -0.274 174.183 174.700 -0.404 0.000 1.009 1037 T CA -0.865 60.982 62.100 -0.422 0.000 1.051 1037 T CB 1.345 70.062 68.868 -0.251 0.000 0.999 1037 T HN 0.428 nan 8.240 nan 0.000 0.474 1038 N N 2.726 121.181 118.700 -0.408 0.000 2.573 1038 N HA 0.184 4.922 4.740 -0.003 0.000 0.262 1038 N C -1.688 173.764 175.510 -0.097 0.000 1.029 1038 N CA -0.469 52.413 53.050 -0.281 0.000 0.882 1038 N CB 1.793 39.966 38.487 -0.524 0.000 1.204 1038 N HN 0.738 nan 8.380 nan 0.000 0.519 1039 D N 2.116 122.491 120.400 -0.042 0.000 2.467 1039 D HA 0.157 4.795 4.640 -0.003 0.000 0.220 1039 D C 0.991 177.315 176.300 0.040 0.000 1.103 1039 D CA -0.328 53.681 54.000 0.014 0.000 0.886 1039 D CB 0.648 41.450 40.800 0.004 0.000 1.025 1039 D HN 0.156 nan 8.370 nan 0.000 0.514 1040 R N 2.751 123.295 120.500 0.073 0.000 2.355 1040 R HA -0.018 4.320 4.340 -0.003 0.000 0.219 1040 R C 1.132 177.489 176.300 0.096 0.000 1.107 1040 R CA 0.389 56.496 56.100 0.011 0.000 1.021 1040 R CB 0.017 30.316 30.300 -0.003 0.000 0.852 1040 R HN 0.572 nan 8.270 nan 0.000 0.475 1041 L N -0.347 120.962 121.223 0.143 0.000 2.640 1041 L HA 0.069 4.407 4.340 -0.003 0.000 0.230 1041 L C 1.067 177.998 176.870 0.101 0.000 1.123 1041 L CA 0.148 55.090 54.840 0.171 0.000 0.900 1041 L CB 0.150 42.298 42.059 0.148 0.000 1.146 1041 L HN 0.163 nan 8.230 nan 0.000 0.484 1042 S N -1.831 113.906 115.700 0.062 0.000 4.055 1042 S HA 0.339 4.807 4.470 -0.003 0.000 0.180 1042 S C 0.178 174.790 174.600 0.019 0.000 1.191 1042 S CA 0.189 58.411 58.200 0.037 0.000 1.195 1042 S CB 0.704 63.919 63.200 0.025 0.000 1.932 1042 S HN 0.126 nan 8.310 nan 0.000 0.781 1043 S N 0.527 116.229 115.700 0.003 0.000 2.745 1043 S HA 0.907 5.375 4.470 -0.003 0.000 0.306 1043 S C -0.643 173.943 174.600 -0.022 0.000 1.137 1043 S CA -0.484 57.712 58.200 -0.006 0.000 0.900 1043 S CB 1.263 64.453 63.200 -0.017 0.000 1.176 1043 S HN 1.490 nan 8.310 nan 0.000 0.520 1044 A N 1.012 123.819 122.820 -0.021 0.000 2.330 1044 A HA 0.771 5.089 4.320 -0.003 0.000 0.327 1044 A C -0.689 176.825 177.584 -0.117 0.000 1.155 1044 A CA -0.850 51.153 52.037 -0.057 0.000 0.803 1044 A CB 0.448 19.488 19.000 0.066 0.000 1.208 1044 A HN 0.752 nan 8.150 nan 0.000 0.477 1045 N N 1.495 120.080 118.700 -0.193 0.000 2.295 1045 N HA 0.375 5.113 4.740 -0.003 0.000 0.293 1045 N C -1.651 173.657 175.510 -0.337 0.000 1.040 1045 N CA -0.363 52.530 53.050 -0.260 0.000 0.840 1045 N CB 2.408 40.759 38.487 -0.226 0.000 1.468 1045 N HN 0.669 nan 8.380 nan 0.000 0.478 1046 L N 2.744 123.705 121.223 -0.438 0.000 2.296 1046 L HA 0.524 4.862 4.340 -0.003 0.000 0.286 1046 L C -1.405 175.132 176.870 -0.555 0.000 1.023 1046 L CA -0.571 54.008 54.840 -0.436 0.000 0.812 1046 L CB 0.436 42.275 42.059 -0.367 0.000 1.223 1046 L HN 0.440 nan 8.230 nan 0.000 0.421 1047 Y N 4.671 124.647 120.300 -0.539 0.000 2.524 1047 Y HA 0.621 5.169 4.550 -0.003 0.000 0.344 1047 Y C -0.201 175.279 175.900 -0.699 0.000 1.012 1047 Y CA -0.903 56.870 58.100 -0.546 0.000 1.068 1047 Y CB 1.922 40.097 38.460 -0.475 0.000 1.249 1047 Y HN 0.319 nan 8.280 nan 0.000 0.468 1048 I N 2.226 122.460 120.570 -0.560 0.000 2.499 1048 I HA 0.246 4.414 4.170 -0.003 0.000 0.288 1048 I C -0.675 175.045 176.117 -0.661 0.000 1.048 1048 I CA -0.990 59.866 61.300 -0.740 0.000 1.062 1048 I CB 1.629 38.993 38.000 -1.060 0.000 1.238 1048 I HN 0.668 nan 8.210 nan 0.000 0.426 1049 N N 4.676 122.924 118.700 -0.754 0.000 2.727 1049 N HA -0.203 4.535 4.740 -0.003 0.000 0.249 1049 N C 0.946 175.881 175.510 -0.959 0.000 1.048 1049 N CA 1.466 53.809 53.050 -1.179 0.000 0.714 1049 N CB -0.935 37.245 38.487 -0.512 0.000 0.959 1049 N HN 1.192 nan 8.380 nan 0.000 0.544 1050 G N -3.072 105.363 108.800 -0.609 0.000 2.162 1050 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.260 1050 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.260 1050 G C -0.017 174.857 174.900 -0.044 0.000 0.976 1050 G CA 0.445 45.416 45.100 -0.215 0.000 0.655 1050 G HN 0.539 nan 8.290 nan 0.000 0.533 1051 V N 1.276 121.131 119.914 -0.098 0.000 2.459 1051 V HA 0.636 4.754 4.120 -0.003 0.000 0.295 1051 V C 0.535 176.539 176.094 -0.150 0.000 1.029 1051 V CA -0.953 61.317 62.300 -0.050 0.000 0.874 1051 V CB 1.722 33.486 31.823 -0.098 0.000 0.985 1051 V HN 0.461 nan 8.190 nan 0.000 0.438 1052 L N 6.065 127.153 121.223 -0.226 0.000 2.534 1052 L HA 0.261 4.599 4.340 -0.003 0.000 0.271 1052 L C 0.516 177.149 176.870 -0.395 0.000 1.178 1052 L CA 1.233 55.682 54.840 -0.651 0.000 0.907 1052 L CB 0.150 41.862 42.059 -0.578 0.000 1.164 1052 L HN 0.732 nan 8.230 nan 0.000 0.482 1053 M N 4.531 123.876 119.600 -0.426 0.000 2.410 1053 M HA 0.423 4.901 4.480 -0.003 0.000 0.376 1053 M C 0.328 176.582 176.300 -0.078 0.000 1.051 1053 M CA -0.044 55.131 55.300 -0.208 0.000 0.949 1053 M CB 0.908 33.319 32.600 -0.315 0.000 1.577 1053 M HN 0.738 nan 8.290 nan 0.000 0.560 1054 G N -0.113 108.570 108.800 -0.194 0.000 2.596 1054 G HA2 0.464 4.422 3.960 -0.003 0.000 0.296 1054 G HA3 0.464 4.422 3.960 -0.003 0.000 0.296 1054 G C -1.880 172.918 174.900 -0.171 0.000 1.513 1054 G CA -0.305 44.734 45.100 -0.101 0.000 0.851 1054 G HN -0.028 nan 8.290 nan 0.000 0.548 1055 S N -1.095 114.547 115.700 -0.097 0.000 2.565 1055 S HA 0.975 5.443 4.470 -0.003 0.000 0.269 1055 S C -0.976 173.605 174.600 -0.030 0.000 1.153 1055 S CA 0.384 58.527 58.200 -0.095 0.000 0.835 1055 S CB 1.652 64.781 63.200 -0.117 0.000 1.122 1055 S HN 2.390 nan 8.310 nan 0.000 0.462 1056 A N 2.290 125.103 122.820 -0.012 0.000 2.566 1056 A HA 0.705 5.023 4.320 -0.003 0.000 0.297 1056 A C -1.494 176.100 177.584 0.017 0.000 1.059 1056 A CA -0.734 51.313 52.037 0.017 0.000 0.691 1056 A CB 1.165 20.197 19.000 0.053 0.000 1.282 1056 A HN 0.705 nan 8.150 nan 0.000 0.401 1057 E N 0.720 120.929 120.200 0.014 0.000 2.392 1057 E HA 0.405 4.753 4.350 -0.003 0.000 0.264 1057 E C 0.572 177.183 176.600 0.018 0.000 1.024 1057 E CA 0.470 56.879 56.400 0.014 0.000 0.903 1057 E CB 0.541 30.250 29.700 0.015 0.000 0.963 1057 E HN 0.602 nan 8.360 nan 0.000 0.432 1058 I N -1.713 118.862 120.570 0.009 0.000 4.026 1058 I HA 0.181 4.349 4.170 -0.003 0.000 0.324 1058 I C -0.020 176.061 176.117 -0.060 0.000 1.474 1058 I CA -0.676 60.618 61.300 -0.010 0.000 1.107 1058 I CB 0.462 38.470 38.000 0.012 0.000 1.345 1058 I HN 0.272 nan 8.210 nan 0.000 0.531 1059 T N -0.814 113.731 114.554 -0.015 0.000 2.919 1059 T HA 0.522 4.870 4.350 -0.003 0.000 0.302 1059 T C 1.183 175.901 174.700 0.030 0.000 1.031 1059 T CA 0.435 62.545 62.100 0.018 0.000 1.127 1059 T CB 1.242 70.160 68.868 0.084 0.000 0.952 1059 T HN 0.878 nan 8.240 nan 0.000 0.540 1060 G N 1.842 110.705 108.800 0.104 0.000 2.132 1060 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.234 1060 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.234 1060 G C -0.119 174.820 174.900 0.065 0.000 0.989 1060 G CA -0.158 45.050 45.100 0.180 0.000 0.676 1060 G HN 0.833 nan 8.290 nan 0.000 0.522 1061 L N 0.434 121.556 121.223 -0.168 0.000 2.357 1061 L HA 0.658 4.996 4.340 -0.003 0.000 0.273 1061 L C 1.587 178.439 176.870 -0.030 0.000 1.080 1061 L CA -0.272 54.490 54.840 -0.131 0.000 0.803 1061 L CB 1.038 42.978 42.059 -0.199 0.000 1.174 1061 L HN 0.214 nan 8.230 nan 0.000 0.443 1062 G N 0.774 109.606 108.800 0.053 0.000 2.504 1062 G HA2 0.478 4.436 3.960 -0.003 0.000 0.257 1062 G HA3 0.478 4.436 3.960 -0.003 0.000 0.257 1062 G C -0.322 174.637 174.900 0.099 0.000 1.451 1062 G CA -0.236 44.942 45.100 0.130 0.000 1.059 1062 G HN 0.762 nan 8.290 nan 0.000 0.550 1063 A N -0.897 121.978 122.820 0.091 0.000 2.440 1063 A HA 0.494 4.812 4.320 -0.003 0.000 0.251 1063 A C 0.063 177.650 177.584 0.005 0.000 1.089 1063 A CA -0.152 51.920 52.037 0.058 0.000 0.779 1063 A CB -0.067 18.958 19.000 0.042 0.000 1.022 1063 A HN 0.442 nan 8.150 nan 0.000 0.492 1064 I N 3.355 123.911 120.570 -0.023 0.000 2.291 1064 I HA 0.236 4.404 4.170 -0.003 0.000 0.290 1064 I C 0.551 176.614 176.117 -0.090 0.000 1.050 1064 I CA -0.307 60.960 61.300 -0.055 0.000 1.245 1064 I CB 0.697 38.661 38.000 -0.059 0.000 1.405 1064 I HN 0.512 nan 8.210 nan 0.000 0.478 1065 R N 7.955 128.407 120.500 -0.080 0.000 2.423 1065 R HA 0.221 4.559 4.340 -0.003 0.000 0.293 1065 R C 0.003 176.238 176.300 -0.109 0.000 1.196 1065 R CA -0.294 55.753 56.100 -0.089 0.000 1.262 1065 R CB 0.315 30.581 30.300 -0.057 0.000 1.116 1065 R HN 0.746 nan 8.270 nan 0.000 0.566 1066 E N 0.546 120.654 120.200 -0.153 0.000 2.849 1066 E HA 0.135 4.483 4.350 -0.003 0.000 0.257 1066 E C -0.789 175.723 176.600 -0.147 0.000 1.306 1066 E CA -0.706 55.585 56.400 -0.181 0.000 1.058 1066 E CB 0.742 30.278 29.700 -0.273 0.000 1.249 1066 E HN 0.227 nan 8.360 nan 0.000 0.638 1067 D N -0.767 119.539 120.400 -0.156 0.000 2.313 1067 D HA 0.001 4.639 4.640 -0.003 0.000 0.247 1067 D C 0.787 177.039 176.300 -0.079 0.000 1.094 1067 D CA -0.414 53.525 54.000 -0.101 0.000 0.925 1067 D CB 0.682 41.420 40.800 -0.102 0.000 1.188 1067 D HN 0.476 nan 8.370 nan 0.000 0.430 1068 N N 1.793 120.484 118.700 -0.015 0.000 2.571 1068 N HA -0.085 4.653 4.740 -0.003 0.000 0.189 1068 N C -0.569 174.972 175.510 0.052 0.000 1.154 1068 N CA 0.196 53.252 53.050 0.010 0.000 0.907 1068 N CB -0.223 38.326 38.487 0.103 0.000 0.977 1068 N HN 0.233 nan 8.380 nan 0.000 0.449 1069 N N 0.843 119.570 118.700 0.046 0.000 2.269 1069 N HA 0.337 5.075 4.740 -0.003 0.000 0.304 1069 N C -0.890 174.607 175.510 -0.022 0.000 1.072 1069 N CA -0.506 52.584 53.050 0.066 0.000 0.802 1069 N CB 1.993 40.529 38.487 0.082 0.000 1.348 1069 N HN -0.066 nan 8.380 nan 0.000 0.484 1070 I N 1.871 122.447 120.570 0.011 0.000 2.330 1070 I HA 0.219 4.387 4.170 -0.003 0.000 0.289 1070 I C 0.269 176.345 176.117 -0.069 0.000 1.001 1070 I CA -0.284 60.992 61.300 -0.040 0.000 1.193 1070 I CB 0.522 38.599 38.000 0.129 0.000 1.345 1070 I HN 0.231 nan 8.210 nan 0.000 0.461 1071 T N 7.062 121.538 114.554 -0.129 0.000 2.767 1071 T HA 0.462 4.810 4.350 -0.003 0.000 0.288 1071 T C 0.145 174.762 174.700 -0.139 0.000 0.963 1071 T CA -0.519 61.515 62.100 -0.110 0.000 1.019 1071 T CB 1.272 70.072 68.868 -0.114 0.000 0.923 1071 T HN 0.144 nan 8.240 nan 0.000 0.468 1072 L N 4.685 125.834 121.223 -0.124 0.000 2.272 1072 L HA 0.590 4.928 4.340 -0.003 0.000 0.284 1072 L C 0.138 176.964 176.870 -0.073 0.000 1.045 1072 L CA -0.073 54.684 54.840 -0.137 0.000 0.842 1072 L CB 0.025 41.997 42.059 -0.146 0.000 1.224 1072 L HN 0.723 nan 8.230 nan 0.000 0.430 1073 K N 3.360 123.720 120.400 -0.066 0.000 2.610 1073 K HA 0.368 4.686 4.320 -0.003 0.000 0.267 1073 K C -1.593 174.995 176.600 -0.020 0.000 0.943 1073 K CA -0.745 55.511 56.287 -0.051 0.000 0.862 1073 K CB 1.733 34.182 32.500 -0.086 0.000 1.376 1073 K HN 0.360 nan 8.250 nan 0.000 0.412 1074 L N 3.418 124.640 121.223 -0.001 0.000 2.385 1074 L HA 0.208 4.546 4.340 -0.003 0.000 0.281 1074 L C -0.332 176.545 176.870 0.011 0.000 1.106 1074 L CA -0.090 54.788 54.840 0.064 0.000 0.856 1074 L CB 0.333 42.388 42.059 -0.008 0.000 1.186 1074 L HN 0.565 nan 8.230 nan 0.000 0.453 1075 D N 4.367 124.797 120.400 0.050 0.000 2.391 1075 D HA 0.334 4.972 4.640 -0.003 0.000 0.245 1075 D C 0.126 176.442 176.300 0.026 0.000 1.069 1075 D CA -0.389 53.602 54.000 -0.015 0.000 0.831 1075 D CB 0.757 41.521 40.800 -0.060 0.000 1.204 1075 D HN 0.305 nan 8.370 nan 0.000 0.503 1076 R N 1.545 122.031 120.500 -0.022 0.000 3.774 1076 R HA -0.161 4.177 4.340 -0.003 0.000 0.320 1076 R C -0.738 175.569 176.300 0.011 0.000 1.175 1076 R CA 0.396 56.494 56.100 -0.004 0.000 0.849 1076 R CB -2.932 27.379 30.300 0.018 0.000 1.365 1076 R HN 0.486 nan 8.270 nan 0.000 0.502 1077 C N 1.430 120.681 119.300 -0.083 0.000 2.285 1077 C HA 0.388 4.846 4.460 -0.003 0.000 0.335 1077 C C 1.556 176.355 174.990 -0.319 0.000 1.267 1077 C CA -0.700 58.137 59.018 -0.302 0.000 1.762 1077 C CB 0.243 27.550 27.740 -0.721 0.000 2.365 1077 C HN 0.351 nan 8.230 nan 0.000 0.527 1078 N N 3.225 121.737 118.700 -0.314 0.000 2.463 1078 N HA -0.025 4.713 4.740 -0.003 0.000 0.181 1078 N C 0.127 175.253 175.510 -0.640 0.000 1.078 1078 N CA 0.423 53.305 53.050 -0.281 0.000 0.902 1078 N CB -0.170 38.323 38.487 0.010 0.000 0.970 1078 N HN 0.731 nan 8.380 nan 0.000 0.451 1079 N N 2.132 120.175 118.700 -1.094 0.000 2.439 1079 N HA 0.079 4.816 4.740 -0.003 0.000 0.243 1079 N C 0.488 175.621 175.510 -0.629 0.000 1.088 1079 N CA -0.070 52.202 53.050 -1.296 0.000 0.940 1079 N CB 0.136 37.779 38.487 -1.406 0.000 1.180 1079 N HN 0.017 nan 8.380 nan 0.000 0.505 1080 N N 3.143 121.609 118.700 -0.389 0.000 2.272 1080 N HA -0.147 4.591 4.740 -0.003 0.000 0.185 1080 N C 0.460 175.870 175.510 -0.168 0.000 1.014 1080 N CA 1.056 53.975 53.050 -0.219 0.000 0.870 1080 N CB 0.022 38.439 38.487 -0.116 0.000 0.975 1080 N HN 0.663 nan 8.380 nan 0.000 0.433 1081 N N 0.342 118.936 118.700 -0.177 0.000 2.463 1081 N HA -0.069 4.669 4.740 -0.003 0.000 0.181 1081 N C 0.410 175.886 175.510 -0.056 0.000 1.078 1081 N CA -0.173 52.845 53.050 -0.054 0.000 0.902 1081 N CB 0.165 38.669 38.487 0.029 0.000 0.970 1081 N HN 0.165 nan 8.380 nan 0.000 0.451 1082 Q N 1.312 120.966 119.800 -0.244 0.000 2.361 1082 Q HA 0.021 4.359 4.340 -0.003 0.000 0.276 1082 Q C -1.212 174.708 176.000 -0.134 0.000 1.022 1082 Q CA 0.382 56.004 55.803 -0.302 0.000 0.898 1082 Q CB 0.223 28.659 28.738 -0.504 0.000 1.246 1082 Q HN 0.276 nan 8.270 nan 0.000 0.410 1083 Y N 0.610 120.834 120.300 -0.128 0.000 2.624 1083 Y HA 0.681 5.232 4.550 0.001 0.000 0.334 1083 Y C -1.519 174.359 175.900 -0.037 0.000 1.155 1083 Y CA -1.123 56.896 58.100 -0.135 0.000 1.046 1083 Y CB 0.481 38.835 38.460 -0.177 0.000 1.316 1083 Y HN 0.474 nan 8.280 nan 0.000 0.457 1084 V N -1.233 118.784 119.914 0.172 0.000 3.181 1084 V HA 0.941 5.059 4.120 -0.003 0.000 0.308 1084 V C -0.997 175.263 176.094 0.276 0.000 1.214 1084 V CA -0.913 61.494 62.300 0.179 0.000 1.053 1084 V CB 1.808 33.713 31.823 0.136 0.000 1.069 1084 V HN 0.948 nan 8.190 nan 0.000 0.441 1085 S N 1.510 117.340 115.700 0.216 0.000 2.557 1085 S HA 0.816 5.284 4.470 -0.003 0.000 0.291 1085 S C -0.795 174.049 174.600 0.407 0.000 1.116 1085 S CA -0.422 57.950 58.200 0.288 0.000 0.992 1085 S CB 1.249 64.474 63.200 0.043 0.000 1.028 1085 S HN 0.728 nan 8.310 nan 0.000 0.484 1086 I N 2.386 123.274 120.570 0.529 0.000 2.498 1086 I HA 0.514 4.682 4.170 -0.003 0.000 0.290 1086 I C -1.095 175.354 176.117 0.554 0.000 1.032 1086 I CA -0.550 61.081 61.300 0.552 0.000 1.073 1086 I CB 2.120 40.271 38.000 0.252 0.000 1.251 1086 I HN 0.448 nan 8.210 nan 0.000 0.426 1087 D N 5.636 126.378 120.400 0.570 0.000 2.732 1087 D HA 0.344 4.982 4.640 -0.003 0.000 0.229 1087 D C -0.576 175.951 176.300 0.378 0.000 1.152 1087 D CA -0.330 53.849 54.000 0.298 0.000 0.854 1087 D CB 1.435 42.147 40.800 -0.146 0.000 1.590 1087 D HN 0.289 nan 8.370 nan 0.000 0.468 1088 K N 1.735 122.294 120.400 0.265 0.000 3.035 1088 K HA -0.243 4.075 4.320 -0.003 0.000 0.262 1088 K C -0.115 176.702 176.600 0.362 0.000 1.024 1088 K CA 0.221 56.678 56.287 0.283 0.000 0.748 1088 K CB -2.443 30.175 32.500 0.197 0.000 1.247 1088 K HN 0.454 nan 8.250 nan 0.000 0.482 1089 F N 1.601 121.705 119.950 0.256 0.000 2.602 1089 F HA 0.070 4.594 4.527 -0.004 0.000 0.385 1089 F C 0.896 176.812 175.800 0.193 0.000 1.063 1089 F CA 0.537 58.687 58.000 0.251 0.000 1.233 1089 F CB 0.361 39.456 39.000 0.159 0.000 1.067 1089 F HN 0.185 nan 8.300 nan 0.000 0.564 1090 R N 6.525 126.711 120.500 -0.523 0.000 2.774 1090 R HA 0.704 5.042 4.340 -0.003 0.000 0.272 1090 R C -1.799 174.123 176.300 -0.630 0.000 1.000 1090 R CA -0.856 54.969 56.100 -0.457 0.000 0.906 1090 R CB 1.711 31.885 30.300 -0.211 0.000 1.227 1090 R HN 0.770 nan 8.270 nan 0.000 0.468 1091 I N 2.651 122.881 120.570 -0.566 0.000 2.619 1091 I HA 0.392 4.560 4.170 -0.003 0.000 0.292 1091 I C -1.202 174.614 176.117 -0.501 0.000 1.100 1091 I CA -0.697 60.344 61.300 -0.431 0.000 1.043 1091 I CB 1.935 39.708 38.000 -0.380 0.000 1.239 1091 I HN 0.422 nan 8.210 nan 0.000 0.420 1092 F N 3.365 123.198 119.950 -0.195 0.000 2.523 1092 F HA 0.302 4.827 4.527 -0.003 0.000 0.329 1092 F C 1.109 176.848 175.800 -0.102 0.000 1.061 1092 F CA -0.897 57.027 58.000 -0.126 0.000 0.967 1092 F CB 1.283 40.224 39.000 -0.099 0.000 1.218 1092 F HN 0.549 nan 8.300 nan 0.000 0.480 1093 C N -0.335 119.043 119.300 0.130 0.000 2.559 1093 C HA 0.496 4.954 4.460 -0.003 0.000 0.300 1093 C C -0.010 175.076 174.990 0.159 0.000 1.288 1093 C CA -0.514 58.578 59.018 0.123 0.000 1.699 1093 C CB -2.281 25.507 27.740 0.081 0.000 1.819 1093 C HN 0.779 nan 8.230 nan 0.000 0.600 1094 K N -0.554 119.934 120.400 0.146 0.000 2.536 1094 K HA 0.719 5.037 4.320 -0.003 0.000 0.269 1094 K C -0.928 175.668 176.600 -0.007 0.000 0.965 1094 K CA -0.416 55.917 56.287 0.077 0.000 0.860 1094 K CB 1.442 33.970 32.500 0.045 0.000 1.423 1094 K HN -0.013 nan 8.250 nan 0.000 0.438 1095 A N 3.528 126.325 122.820 -0.038 0.000 2.457 1095 A HA 0.301 4.619 4.320 -0.003 0.000 0.298 1095 A C 0.056 177.537 177.584 -0.172 0.000 1.288 1095 A CA -0.677 51.289 52.037 -0.119 0.000 0.956 1095 A CB -0.592 18.361 19.000 -0.079 0.000 1.135 1095 A HN 0.630 nan 8.150 nan 0.000 0.535 1096 L N 3.659 124.712 121.223 -0.284 0.000 2.490 1096 L HA 0.038 4.376 4.340 -0.003 0.000 0.274 1096 L C 1.085 177.778 176.870 -0.294 0.000 1.201 1096 L CA -0.058 54.573 54.840 -0.349 0.000 0.869 1096 L CB 0.121 41.855 42.059 -0.541 0.000 1.123 1096 L HN 0.906 nan 8.230 nan 0.000 0.484 1097 N N 2.755 121.311 118.700 -0.238 0.000 2.476 1097 N HA 0.250 4.988 4.740 -0.003 0.000 0.275 1097 N C -2.334 173.034 175.510 -0.237 0.000 1.190 1097 N CA -1.732 51.210 53.050 -0.181 0.000 0.977 1097 N CB 1.330 39.749 38.487 -0.113 0.000 1.200 1097 N HN 0.206 nan 8.380 nan 0.000 0.515 1098 P HA -0.217 nan 4.420 nan 0.000 0.216 1098 P C 1.268 178.479 177.300 -0.149 0.000 1.154 1098 P CA 1.891 64.891 63.100 -0.167 0.000 0.865 1098 P CB 0.145 31.829 31.700 -0.027 0.000 0.789 1099 K N -0.128 120.206 120.400 -0.111 0.000 2.057 1099 K HA -0.147 4.171 4.320 -0.003 0.000 0.206 1099 K C 1.953 178.487 176.600 -0.111 0.000 1.050 1099 K CA 1.383 57.617 56.287 -0.088 0.000 0.935 1099 K CB -0.176 32.283 32.500 -0.067 0.000 0.715 1099 K HN 0.111 nan 8.250 nan 0.000 0.439 1100 E N 0.297 120.407 120.200 -0.149 0.000 2.106 1100 E HA -0.152 4.196 4.350 -0.003 0.000 0.192 1100 E C 2.006 178.485 176.600 -0.201 0.000 0.984 1100 E CA 1.145 57.442 56.400 -0.173 0.000 0.806 1100 E CB -0.048 29.523 29.700 -0.215 0.000 0.750 1100 E HN 0.336 nan 8.360 nan 0.000 0.458 1101 I N 1.125 121.537 120.570 -0.262 0.000 2.202 1101 I HA -0.240 3.928 4.170 -0.003 0.000 0.242 1101 I C 2.612 178.679 176.117 -0.083 0.000 1.091 1101 I CA 1.071 62.206 61.300 -0.275 0.000 1.368 1101 I CB -0.136 37.524 38.000 -0.566 0.000 1.058 1101 I HN 0.046 nan 8.210 nan 0.000 0.410 1102 E N 1.592 121.745 120.200 -0.079 0.000 2.130 1102 E HA -0.290 4.058 4.350 -0.003 0.000 0.196 1102 E C 1.950 178.570 176.600 0.033 0.000 0.998 1102 E CA 1.698 58.118 56.400 0.033 0.000 0.806 1102 E CB -0.092 29.608 29.700 0.000 0.000 0.738 1102 E HN 0.149 nan 8.360 nan 0.000 0.459 1103 K N -0.233 120.147 120.400 -0.033 0.000 2.031 1103 K HA -0.031 4.287 4.320 -0.003 0.000 0.205 1103 K C 2.042 178.597 176.600 -0.075 0.000 1.049 1103 K CA 1.071 57.322 56.287 -0.061 0.000 0.939 1103 K CB -0.735 31.720 32.500 -0.075 0.000 0.717 1103 K HN 0.252 nan 8.250 nan 0.000 0.438 1104 L N 0.397 121.591 121.223 -0.047 0.000 2.012 1104 L HA -0.169 4.169 4.340 -0.003 0.000 0.210 1104 L C 2.088 178.917 176.870 -0.068 0.000 1.073 1104 L CA 1.915 56.734 54.840 -0.036 0.000 0.748 1104 L CB -1.123 40.993 42.059 0.095 0.000 0.891 1104 L HN 0.366 nan 8.230 nan 0.000 0.431 1105 Y N 0.983 121.197 120.300 -0.143 0.000 2.036 1105 Y HA -0.299 4.249 4.550 -0.004 0.000 0.273 1105 Y C 2.876 178.725 175.900 -0.085 0.000 1.135 1105 Y CA 2.718 60.633 58.100 -0.307 0.000 1.106 1105 Y CB -1.387 37.052 38.460 -0.035 0.000 0.976 1105 Y HN 0.478 nan 8.280 nan 0.000 0.483 1106 T N -1.541 112.797 114.554 -0.359 0.000 2.849 1106 T HA -0.199 4.149 4.350 -0.003 0.000 0.270 1106 T C 2.155 176.720 174.700 -0.226 0.000 1.066 1106 T CA 1.826 63.683 62.100 -0.405 0.000 1.130 1106 T CB -1.216 67.491 68.868 -0.269 0.000 0.864 1106 T HN 0.515 nan 8.240 nan 0.000 0.481 1107 S N 0.558 116.129 115.700 -0.215 0.000 2.419 1107 S HA -0.142 4.326 4.470 -0.003 0.000 0.235 1107 S C 1.671 176.115 174.600 -0.259 0.000 1.019 1107 S CA 0.641 58.689 58.200 -0.254 0.000 0.982 1107 S CB -1.007 61.991 63.200 -0.336 0.000 0.789 1107 S HN 0.648 nan 8.310 nan 0.000 0.490 1108 Y N 1.574 121.824 120.300 -0.083 0.000 2.544 1108 Y HA 0.388 4.936 4.550 -0.004 0.000 0.286 1108 Y C 0.822 176.622 175.900 -0.167 0.000 1.141 1108 Y CA -0.175 57.879 58.100 -0.078 0.000 1.299 1108 Y CB -0.247 38.267 38.460 0.089 0.000 1.030 1108 Y HN 0.226 nan 8.280 nan 0.000 0.543 1109 L N 1.862 123.075 121.223 -0.017 0.000 2.404 1109 L HA 0.149 4.487 4.340 -0.003 0.000 0.277 1109 L C 0.410 177.236 176.870 -0.074 0.000 1.184 1109 L CA -0.449 54.352 54.840 -0.065 0.000 1.013 1109 L CB -0.428 41.580 42.059 -0.085 0.000 1.318 1109 L HN 0.054 nan 8.230 nan 0.000 0.435 1110 S N 1.854 117.510 115.700 -0.074 0.000 2.448 1110 S HA 0.170 4.638 4.470 -0.003 0.000 0.279 1110 S C 1.144 175.701 174.600 -0.071 0.000 1.195 1110 S CA -0.732 57.427 58.200 -0.067 0.000 1.051 1110 S CB 1.241 64.416 63.200 -0.041 0.000 0.948 1110 S HN 0.648 nan 8.310 nan 0.000 0.493 1111 I N 3.318 123.836 120.570 -0.086 0.000 2.700 1111 I HA -0.183 3.985 4.170 -0.003 0.000 0.261 1111 I C 1.680 177.714 176.117 -0.138 0.000 1.219 1111 I CA 1.056 62.300 61.300 -0.093 0.000 1.463 1111 I CB -0.635 37.312 38.000 -0.089 0.000 1.092 1111 I HN 0.778 nan 8.210 nan 0.000 0.452 1112 T N 1.671 116.106 114.554 -0.199 0.000 2.341 1112 T HA -0.253 4.095 4.350 -0.003 0.000 0.231 1112 T C 0.502 174.943 174.700 -0.431 0.000 1.443 1112 T CA 1.440 63.299 62.100 -0.401 0.000 1.212 1112 T CB -0.718 67.774 68.868 -0.627 0.000 0.862 1112 T HN 0.170 nan 8.240 nan 0.000 0.398 1113 F N 1.324 121.214 119.950 -0.100 0.000 2.429 1113 F HA 0.396 4.923 4.527 -0.000 0.000 0.348 1113 F C 0.735 176.446 175.800 -0.149 0.000 1.109 1113 F CA -0.830 57.094 58.000 -0.128 0.000 1.232 1113 F CB -0.104 38.775 39.000 -0.200 0.000 1.157 1113 F HN 0.104 nan 8.300 nan 0.000 0.564 1114 L N 2.891 124.120 121.223 0.011 0.000 2.475 1114 L HA 0.526 4.864 4.340 -0.003 0.000 0.253 1114 L C 0.153 176.969 176.870 -0.091 0.000 1.198 1114 L CA -0.723 54.070 54.840 -0.078 0.000 0.814 1114 L CB 0.633 42.590 42.059 -0.169 0.000 1.134 1114 L HN 0.593 nan 8.230 nan 0.000 0.478 1115 R N -0.260 120.184 120.500 -0.093 0.000 2.744 1115 R HA 0.308 4.646 4.340 -0.003 0.000 0.279 1115 R C -1.357 174.902 176.300 -0.067 0.000 0.977 1115 R CA -0.917 55.124 56.100 -0.098 0.000 0.906 1115 R CB 1.979 32.205 30.300 -0.123 0.000 1.197 1115 R HN 0.684 nan 8.270 nan 0.000 0.463 1116 D N 0.514 120.889 120.400 -0.041 0.000 2.423 1116 D HA -0.031 4.607 4.640 -0.003 0.000 0.255 1116 D C 0.777 177.140 176.300 0.106 0.000 1.174 1116 D CA -0.592 53.430 54.000 0.037 0.000 1.008 1116 D CB 0.353 41.250 40.800 0.162 0.000 1.101 1116 D HN 0.389 nan 8.370 nan 0.000 0.516 1117 F N -0.418 119.468 119.950 -0.106 0.000 2.147 1117 F HA -0.138 4.386 4.527 -0.004 0.000 0.301 1117 F C 1.267 176.915 175.800 -0.254 0.000 1.084 1117 F CA 1.350 59.179 58.000 -0.286 0.000 1.268 1117 F CB -0.186 38.341 39.000 -0.787 0.000 1.009 1117 F HN 0.431 nan 8.300 nan 0.000 0.486 1118 W N -0.411 120.962 121.300 0.123 0.000 3.047 1118 W HA 0.323 4.980 4.660 -0.004 0.000 0.250 1118 W C 1.794 178.247 176.519 -0.111 0.000 1.314 1118 W CA 0.499 57.844 57.345 0.000 0.000 1.540 1118 W CB -0.310 29.209 29.460 0.098 0.000 1.127 1118 W HN 0.202 nan 8.180 nan 0.000 0.679 1119 G N 0.455 109.071 108.800 -0.308 0.000 2.157 1119 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.239 1119 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.239 1119 G C -0.094 174.661 174.900 -0.242 0.000 0.982 1119 G CA -0.285 44.236 45.100 -0.964 0.000 0.650 1119 G HN 0.361 nan 8.290 nan 0.000 0.527 1120 N N 1.094 119.815 118.700 0.034 0.000 2.476 1120 N HA 0.545 5.283 4.740 -0.003 0.000 0.275 1120 N C -2.729 172.737 175.510 -0.074 0.000 1.190 1120 N CA -1.741 51.348 53.050 0.065 0.000 0.977 1120 N CB 1.182 39.804 38.487 0.225 0.000 1.200 1120 N HN -0.007 nan 8.380 nan 0.000 0.515 1121 P HA -0.025 nan 4.420 nan 0.000 0.264 1121 P C -0.668 176.572 177.300 -0.100 0.000 1.193 1121 P CA -0.199 62.727 63.100 -0.290 0.000 0.763 1121 P CB 0.465 31.699 31.700 -0.777 0.000 0.810 1122 L N 5.097 126.264 121.223 -0.093 0.000 2.456 1122 L HA 0.174 4.512 4.340 -0.003 0.000 0.272 1122 L C 0.514 177.431 176.870 0.079 0.000 1.189 1122 L CA 0.766 55.565 54.840 -0.068 0.000 0.846 1122 L CB -0.002 41.886 42.059 -0.286 0.000 1.111 1122 L HN 0.361 nan 8.230 nan 0.000 0.475 1123 R N 3.093 123.753 120.500 0.267 0.000 2.888 1123 R HA 0.416 4.754 4.340 -0.003 0.000 0.266 1123 R C -1.319 175.111 176.300 0.217 0.000 1.020 1123 R CA -0.889 55.387 56.100 0.294 0.000 0.963 1123 R CB 1.142 31.659 30.300 0.361 0.000 1.197 1123 R HN 0.436 nan 8.270 nan 0.000 0.481 1124 Y N 0.666 121.112 120.300 0.243 0.000 2.316 1124 Y HA 0.019 4.566 4.550 -0.005 0.000 0.324 1124 Y C 0.646 176.631 175.900 0.143 0.000 1.267 1124 Y CA 0.277 58.495 58.100 0.197 0.000 1.311 1124 Y CB 0.778 39.325 38.460 0.145 0.000 1.267 1124 Y HN 0.663 nan 8.280 nan 0.000 0.516 1125 D N 0.908 121.498 120.400 0.316 0.000 2.701 1125 D HA -0.182 4.456 4.640 -0.003 0.000 0.235 1125 D C -0.868 175.476 176.300 0.073 0.000 1.155 1125 D CA 1.080 55.174 54.000 0.158 0.000 0.649 1125 D CB -1.086 39.779 40.800 0.109 0.000 1.050 1125 D HN 0.440 nan 8.370 nan 0.000 0.425 1126 T N 0.585 115.161 114.554 0.037 0.000 2.848 1126 T HA 0.270 4.618 4.350 -0.003 0.000 0.285 1126 T C 0.117 174.609 174.700 -0.347 0.000 0.995 1126 T CA -0.736 61.258 62.100 -0.176 0.000 0.970 1126 T CB 2.306 71.013 68.868 -0.268 0.000 0.976 1126 T HN -0.039 nan 8.240 nan 0.000 0.441 1127 E N 1.956 121.975 120.200 -0.301 0.000 2.360 1127 E HA 0.261 4.609 4.350 -0.003 0.000 0.269 1127 E C -1.155 175.211 176.600 -0.389 0.000 1.022 1127 E CA 0.043 56.294 56.400 -0.250 0.000 0.887 1127 E CB 0.576 30.159 29.700 -0.196 0.000 0.990 1127 E HN 0.490 nan 8.360 nan 0.000 0.426 1128 Y N 1.149 121.472 120.300 0.039 0.000 2.492 1128 Y HA 0.269 4.817 4.550 -0.003 0.000 0.346 1128 Y C -0.832 175.038 175.900 -0.049 0.000 0.997 1128 Y CA -0.879 57.273 58.100 0.086 0.000 1.025 1128 Y CB 1.121 39.745 38.460 0.272 0.000 1.263 1128 Y HN 0.421 nan 8.280 nan 0.000 0.454 1129 Y N 2.555 123.034 120.300 0.298 0.000 2.334 1129 Y HA 0.544 5.091 4.550 -0.003 0.000 0.328 1129 Y C -0.645 175.272 175.900 0.029 0.000 1.130 1129 Y CA -0.691 57.530 58.100 0.201 0.000 1.163 1129 Y CB 0.980 39.538 38.460 0.163 0.000 1.207 1129 Y HN 0.350 nan 8.280 nan 0.000 0.471 1130 L N 4.374 125.665 121.223 0.112 0.000 2.317 1130 L HA 0.538 4.876 4.340 -0.003 0.000 0.281 1130 L C -0.717 176.244 176.870 0.152 0.000 1.024 1130 L CA -0.392 54.379 54.840 -0.116 0.000 0.810 1130 L CB 1.213 42.889 42.059 -0.637 0.000 1.240 1130 L HN 0.473 nan 8.230 nan 0.000 0.427 1131 I N 4.859 125.577 120.570 0.246 0.000 2.499 1131 I HA 0.354 4.522 4.170 -0.003 0.000 0.288 1131 I C -2.392 173.876 176.117 0.251 0.000 1.048 1131 I CA -1.774 59.684 61.300 0.263 0.000 1.062 1131 I CB 2.615 40.740 38.000 0.210 0.000 1.238 1131 I HN 0.400 nan 8.210 nan 0.000 0.426 1132 P HA 0.083 nan 4.420 nan 0.000 0.276 1132 P C 0.895 178.046 177.300 -0.250 0.000 1.253 1132 P CA -0.103 62.664 63.100 -0.555 0.000 0.766 1132 P CB 1.702 32.988 31.700 -0.691 0.000 0.845 1133 V N 4.337 124.011 119.914 -0.399 0.000 2.324 1133 V HA -0.290 3.828 4.120 -0.003 0.000 0.250 1133 V C 2.624 178.662 176.094 -0.092 0.000 1.060 1133 V CA 2.795 64.943 62.300 -0.253 0.000 1.042 1133 V CB -1.657 29.843 31.823 -0.537 0.000 0.650 1133 V HN 0.616 nan 8.190 nan 0.000 0.450 1134 A N 0.186 122.889 122.820 -0.196 0.000 2.178 1134 A HA -0.016 4.302 4.320 -0.003 0.000 0.218 1134 A C 1.472 179.012 177.584 -0.072 0.000 1.157 1134 A CA 1.419 53.384 52.037 -0.119 0.000 0.689 1134 A CB -0.297 18.614 19.000 -0.147 0.000 0.787 1134 A HN 0.804 nan 8.150 nan 0.000 0.465 1135 S N -1.286 114.367 115.700 -0.078 0.000 2.605 1135 S HA 0.262 4.730 4.470 -0.003 0.000 0.142 1135 S C 0.513 175.087 174.600 -0.042 0.000 1.452 1135 S CA 0.248 58.418 58.200 -0.050 0.000 1.240 1135 S CB 0.083 63.250 63.200 -0.055 0.000 1.538 1135 S HN 0.705 nan 8.310 nan 0.000 0.394 1136 S N 1.423 117.112 115.700 -0.018 0.000 2.469 1136 S HA -0.144 4.324 4.470 -0.003 0.000 0.238 1136 S C 1.763 176.186 174.600 -0.295 0.000 0.998 1136 S CA 1.103 59.254 58.200 -0.082 0.000 0.957 1136 S CB -0.730 62.450 63.200 -0.033 0.000 0.764 1136 S HN 1.091 nan 8.310 nan 0.000 0.514 1137 S N 0.480 116.064 115.700 -0.193 0.000 2.603 1137 S HA 0.219 4.687 4.470 -0.003 0.000 0.220 1137 S C 0.485 175.025 174.600 -0.100 0.000 0.967 1137 S CA -0.395 57.699 58.200 -0.176 0.000 0.920 1137 S CB -0.191 62.950 63.200 -0.097 0.000 0.773 1137 S HN 0.287 nan 8.310 nan 0.000 0.529 1138 K N 1.969 122.331 120.400 -0.064 0.000 2.110 1138 K HA 0.528 4.846 4.320 -0.003 0.000 0.263 1138 K C -0.924 175.688 176.600 0.019 0.000 0.975 1138 K CA -0.453 55.831 56.287 -0.005 0.000 0.895 1138 K CB 0.793 33.308 32.500 0.025 0.000 1.060 1138 K HN 0.165 nan 8.250 nan 0.000 0.448 1139 D N 0.286 120.711 120.400 0.042 0.000 2.374 1139 D HA 0.359 4.997 4.640 -0.003 0.000 0.239 1139 D C -0.637 175.718 176.300 0.091 0.000 0.991 1139 D CA -0.652 53.389 54.000 0.069 0.000 0.960 1139 D CB 2.009 42.835 40.800 0.044 0.000 1.284 1139 D HN -0.020 nan 8.370 nan 0.000 0.512 1140 V N 2.079 122.072 119.914 0.132 0.000 2.427 1140 V HA 0.315 4.433 4.120 -0.003 0.000 0.286 1140 V C 0.075 176.157 176.094 -0.020 0.000 1.034 1140 V CA -0.548 61.817 62.300 0.108 0.000 0.893 1140 V CB 1.358 33.333 31.823 0.253 0.000 0.982 1140 V HN 0.325 nan 8.190 nan 0.000 0.452 1141 Q N 2.775 122.417 119.800 -0.263 0.000 2.399 1141 Q HA 0.637 4.975 4.340 -0.003 0.000 0.276 1141 Q C -1.204 174.486 176.000 -0.516 0.000 1.098 1141 Q CA -0.913 54.627 55.803 -0.439 0.000 0.827 1141 Q CB 3.049 31.360 28.738 -0.711 0.000 1.386 1141 Q HN 0.608 nan 8.270 nan 0.000 0.443 1142 L N 1.561 122.544 121.223 -0.399 0.000 2.322 1142 L HA 0.347 4.685 4.340 -0.003 0.000 0.281 1142 L C 0.901 177.627 176.870 -0.241 0.000 1.014 1142 L CA -0.105 54.523 54.840 -0.354 0.000 0.815 1142 L CB 1.062 42.801 42.059 -0.533 0.000 1.247 1142 L HN 0.437 nan 8.230 nan 0.000 0.421 1143 K N 2.832 123.118 120.400 -0.191 0.000 1.965 1143 K HA 0.049 4.367 4.320 -0.003 0.000 0.214 1143 K C -0.089 176.395 176.600 -0.193 0.000 1.046 1143 K CA 1.344 57.513 56.287 -0.197 0.000 0.944 1143 K CB 0.131 32.212 32.500 -0.698 0.000 0.726 1143 K HN 0.761 nan 8.250 nan 0.000 0.441 1144 N N -0.637 117.922 118.700 -0.234 0.000 2.591 1144 N HA 0.112 4.850 4.740 -0.003 0.000 0.263 1144 N C -1.191 174.192 175.510 -0.212 0.000 1.308 1144 N CA -0.678 52.265 53.050 -0.178 0.000 0.837 1144 N CB 1.325 39.758 38.487 -0.091 0.000 1.548 1144 N HN 0.021 nan 8.380 nan 0.000 0.493 1145 I N 1.875 122.324 120.570 -0.203 0.000 2.710 1145 I HA 0.023 4.191 4.170 -0.003 0.000 0.286 1145 I C 1.311 177.362 176.117 -0.110 0.000 1.181 1145 I CA 1.545 62.708 61.300 -0.229 0.000 1.430 1145 I CB -0.516 37.350 38.000 -0.222 0.000 1.367 1145 I HN 0.861 nan 8.210 nan 0.000 0.577 1146 T N 1.593 116.107 114.554 -0.067 0.000 5.983 1146 T HA -0.191 4.157 4.350 -0.003 0.000 0.274 1146 T C 0.268 175.035 174.700 0.111 0.000 2.195 1146 T CA 0.833 62.950 62.100 0.028 0.000 3.709 1146 T CB -2.141 66.703 68.868 -0.041 0.000 0.873 1146 T HN 0.703 nan 8.240 nan 0.000 1.045 1147 D N 0.629 121.047 120.400 0.031 0.000 2.595 1147 D HA 0.623 5.261 4.640 -0.003 0.000 0.268 1147 D C 0.348 176.706 176.300 0.096 0.000 1.181 1147 D CA -0.546 53.498 54.000 0.073 0.000 1.085 1147 D CB 0.557 41.344 40.800 -0.021 0.000 1.186 1147 D HN 0.594 nan 8.370 nan 0.000 0.621 1148 Y N -0.540 119.813 120.300 0.089 0.000 2.326 1148 Y HA 0.565 5.113 4.550 -0.003 0.000 0.324 1148 Y C -0.056 175.943 175.900 0.165 0.000 1.291 1148 Y CA -0.816 57.359 58.100 0.125 0.000 1.348 1148 Y CB 0.375 38.920 38.460 0.142 0.000 1.294 1148 Y HN 0.095 nan 8.280 nan 0.000 0.525 1149 M N 2.849 122.678 119.600 0.382 0.000 2.598 1149 M HA 0.488 4.966 4.480 -0.003 0.000 0.317 1149 M C -1.428 175.188 176.300 0.527 0.000 1.201 1149 M CA -0.847 54.608 55.300 0.258 0.000 0.971 1149 M CB 1.943 34.645 32.600 0.170 0.000 1.657 1149 M HN 0.865 nan 8.290 nan 0.000 0.470 1150 Y N -1.313 119.136 120.300 0.248 0.000 2.689 1150 Y HA 0.698 5.246 4.550 -0.003 0.000 0.333 1150 Y C -1.904 174.116 175.900 0.200 0.000 1.208 1150 Y CA -1.603 56.660 58.100 0.271 0.000 1.055 1150 Y CB 0.776 39.437 38.460 0.335 0.000 1.304 1150 Y HN 0.497 nan 8.280 nan 0.000 0.455 1151 L N 1.866 123.289 121.223 0.332 0.000 2.395 1151 L HA 0.660 4.998 4.340 -0.003 0.000 0.269 1151 L C -0.254 176.739 176.870 0.206 0.000 1.133 1151 L CA -0.333 54.627 54.840 0.200 0.000 0.812 1151 L CB 1.522 43.688 42.059 0.178 0.000 1.125 1151 L HN 0.843 nan 8.230 nan 0.000 0.452 1152 T N 1.106 115.724 114.554 0.106 0.000 2.912 1152 T HA 0.243 4.591 4.350 -0.003 0.000 0.299 1152 T C -0.508 174.229 174.700 0.062 0.000 1.052 1152 T CA -0.755 61.406 62.100 0.101 0.000 0.996 1152 T CB 1.451 70.353 68.868 0.056 0.000 1.070 1152 T HN 0.502 nan 8.240 nan 0.000 0.465 1153 N N 1.430 120.164 118.700 0.057 0.000 2.475 1153 N HA 0.460 5.198 4.740 -0.003 0.000 0.267 1153 N C -0.028 175.494 175.510 0.021 0.000 1.169 1153 N CA -0.357 52.710 53.050 0.028 0.000 0.947 1153 N CB 0.646 39.148 38.487 0.026 0.000 1.061 1153 N HN 0.720 nan 8.380 nan 0.000 0.466 1154 A N 3.709 126.529 122.820 -0.000 0.000 2.371 1154 A HA 0.346 4.664 4.320 -0.003 0.000 0.257 1154 A C -1.872 175.718 177.584 0.010 0.000 1.089 1154 A CA -1.141 50.895 52.037 -0.002 0.000 0.794 1154 A CB 0.018 18.998 19.000 -0.033 0.000 1.029 1154 A HN 0.507 nan 8.150 nan 0.000 0.488 1155 P HA 0.261 nan 4.420 nan 0.000 0.272 1155 P C -0.354 176.970 177.300 0.040 0.000 1.230 1155 P CA -0.075 63.044 63.100 0.031 0.000 0.788 1155 P CB 0.990 32.715 31.700 0.043 0.000 0.949 1156 S N 0.181 115.898 115.700 0.028 0.000 2.648 1156 S HA 0.505 4.973 4.470 -0.003 0.000 0.305 1156 S C -1.199 173.409 174.600 0.012 0.000 1.094 1156 S CA -0.311 57.904 58.200 0.024 0.000 0.983 1156 S CB 0.924 64.125 63.200 0.002 0.000 1.101 1156 S HN 0.517 nan 8.310 nan 0.000 0.514 1157 Y N 1.832 122.003 120.300 -0.215 0.000 2.361 1157 Y HA 0.562 5.110 4.550 -0.003 0.000 0.337 1157 Y C -0.433 175.320 175.900 -0.245 0.000 0.965 1157 Y CA -0.504 57.414 58.100 -0.304 0.000 1.091 1157 Y CB 1.244 39.344 38.460 -0.600 0.000 1.182 1157 Y HN 0.688 nan 8.280 nan 0.000 0.450 1158 T N 3.247 117.319 114.554 -0.804 0.000 2.893 1158 T HA 0.454 4.802 4.350 -0.003 0.000 0.293 1158 T C -1.471 172.823 174.700 -0.676 0.000 1.027 1158 T CA -0.924 60.855 62.100 -0.535 0.000 0.988 1158 T CB 1.623 70.312 68.868 -0.298 0.000 1.043 1158 T HN 0.660 nan 8.240 nan 0.000 0.461 1159 N N 1.153 119.629 118.700 -0.374 0.000 2.577 1159 N HA 0.310 5.048 4.740 -0.003 0.000 0.275 1159 N C 1.085 176.553 175.510 -0.069 0.000 1.091 1159 N CA -0.270 52.646 53.050 -0.223 0.000 0.843 1159 N CB 1.642 40.067 38.487 -0.104 0.000 1.295 1159 N HN 0.946 nan 8.380 nan 0.000 0.530 1160 G N 2.577 111.333 108.800 -0.074 0.000 2.421 1160 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.217 1160 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.217 1160 G C 1.409 176.303 174.900 -0.010 0.000 1.143 1160 G CA 0.910 45.988 45.100 -0.036 0.000 0.784 1160 G HN 0.670 nan 8.290 nan 0.000 0.541 1161 K N 0.148 120.542 120.400 -0.010 0.000 2.062 1161 K HA 0.138 4.456 4.320 -0.003 0.000 0.205 1161 K C 2.030 178.642 176.600 0.020 0.000 1.051 1161 K CA 0.865 57.155 56.287 0.004 0.000 0.941 1161 K CB -0.431 32.071 32.500 0.003 0.000 0.719 1161 K HN 0.313 nan 8.250 nan 0.000 0.440 1162 L N 0.945 122.188 121.223 0.034 0.000 2.591 1162 L HA 0.070 4.408 4.340 -0.003 0.000 0.228 1162 L C 0.070 176.976 176.870 0.060 0.000 1.133 1162 L CA -0.030 54.841 54.840 0.052 0.000 0.880 1162 L CB -0.806 41.300 42.059 0.078 0.000 1.033 1162 L HN 0.395 nan 8.230 nan 0.000 0.450 1163 N N 1.215 119.950 118.700 0.059 0.000 2.725 1163 N HA -0.253 4.485 4.740 -0.003 0.000 0.251 1163 N C -0.571 175.012 175.510 0.123 0.000 1.031 1163 N CA 0.433 53.534 53.050 0.085 0.000 0.720 1163 N CB -0.870 37.653 38.487 0.061 0.000 0.930 1163 N HN 0.477 nan 8.380 nan 0.000 0.543 1164 I N 1.125 121.786 120.570 0.150 0.000 2.647 1164 I HA 0.674 4.842 4.170 -0.003 0.000 0.295 1164 I C -1.224 175.050 176.117 0.261 0.000 1.078 1164 I CA -1.022 60.386 61.300 0.179 0.000 1.048 1164 I CB 1.327 39.445 38.000 0.197 0.000 1.239 1164 I HN 0.220 nan 8.210 nan 0.000 0.421 1165 Y N 5.553 125.959 120.300 0.176 0.000 2.604 1165 Y HA 0.720 5.268 4.550 -0.003 0.000 0.331 1165 Y C -2.077 174.002 175.900 0.299 0.000 1.158 1165 Y CA -1.179 56.968 58.100 0.079 0.000 1.056 1165 Y CB 0.784 39.222 38.460 -0.036 0.000 1.330 1165 Y HN 0.643 nan 8.280 nan 0.000 0.457 1166 Y N -0.419 120.090 120.300 0.349 0.000 2.638 1166 Y HA 0.596 5.145 4.550 -0.003 0.000 0.334 1166 Y C -1.285 174.814 175.900 0.332 0.000 1.182 1166 Y CA -2.097 56.191 58.100 0.314 0.000 1.102 1166 Y CB 0.874 39.548 38.460 0.356 0.000 1.343 1166 Y HN 0.896 nan 8.280 nan 0.000 0.463 1167 R N 1.905 122.651 120.500 0.409 0.000 2.537 1167 R HA 0.479 4.817 4.340 -0.003 0.000 0.280 1167 R C -0.535 176.012 176.300 0.411 0.000 1.058 1167 R CA -0.661 55.570 56.100 0.217 0.000 1.057 1167 R CB 0.756 31.039 30.300 -0.029 0.000 0.973 1167 R HN 0.746 nan 8.270 nan 0.000 0.438 1168 R N 2.011 122.676 120.500 0.275 0.000 2.774 1168 R HA 0.253 4.591 4.340 -0.003 0.000 0.269 1168 R C 0.040 176.407 176.300 0.113 0.000 1.068 1168 R CA -0.229 56.072 56.100 0.334 0.000 1.180 1168 R CB 0.356 30.774 30.300 0.197 0.000 1.077 1168 R HN 0.490 nan 8.270 nan 0.000 0.513 1169 L N 0.403 121.597 121.223 -0.048 0.000 2.260 1169 L HA 0.341 4.679 4.340 -0.003 0.000 0.265 1169 L C -0.448 176.082 176.870 -0.567 0.000 1.015 1169 L CA -0.974 53.544 54.840 -0.538 0.000 0.826 1169 L CB 0.712 42.063 42.059 -1.180 0.000 1.373 1169 L HN 0.655 nan 8.230 nan 0.000 0.450 1170 Y N -1.304 118.676 120.300 -0.533 0.000 4.490 1170 Y HA -0.244 4.305 4.550 -0.002 0.000 0.233 1170 Y C 0.028 175.396 175.900 -0.888 0.000 1.101 1170 Y CA -0.171 57.251 58.100 -1.130 0.000 2.010 1170 Y CB -2.727 35.473 38.460 -0.433 0.000 1.622 1170 Y HN 0.556 nan 8.280 nan 0.000 0.675 1171 N N 0.276 118.736 118.700 -0.400 0.000 2.432 1171 N HA 0.703 5.441 4.740 -0.003 0.000 0.292 1171 N C 0.794 176.336 175.510 0.053 0.000 1.193 1171 N CA 0.537 53.536 53.050 -0.085 0.000 0.878 1171 N CB 2.070 40.548 38.487 -0.016 0.000 1.252 1171 N HN 0.524 nan 8.380 nan 0.000 0.520 1172 G N -0.260 108.639 108.800 0.166 0.000 2.627 1172 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.214 1172 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.214 1172 G C -1.188 173.900 174.900 0.313 0.000 1.331 1172 G CA -0.799 44.427 45.100 0.209 0.000 0.891 1172 G HN 0.374 nan 8.290 nan 0.000 0.539 1173 L N 0.824 122.173 121.223 0.210 0.000 2.426 1173 L HA 0.434 4.772 4.340 -0.003 0.000 0.271 1173 L C 1.082 177.941 176.870 -0.020 0.000 1.169 1173 L CA 0.423 55.280 54.840 0.028 0.000 0.836 1173 L CB 0.925 42.830 42.059 -0.257 0.000 1.112 1173 L HN 0.538 nan 8.230 nan 0.000 0.465 1174 K N 3.603 123.878 120.400 -0.210 0.000 2.248 1174 K HA 0.414 4.732 4.320 -0.003 0.000 0.281 1174 K C -1.000 175.447 176.600 -0.254 0.000 1.054 1174 K CA -0.222 55.864 56.287 -0.335 0.000 0.903 1174 K CB 0.697 33.018 32.500 -0.299 0.000 1.077 1174 K HN 0.188 nan 8.250 nan 0.000 0.474 1175 F N 2.648 122.551 119.950 -0.078 0.000 2.483 1175 F HA 0.539 5.063 4.527 -0.004 0.000 0.329 1175 F C 0.335 176.221 175.800 0.142 0.000 1.064 1175 F CA -0.859 57.168 58.000 0.044 0.000 0.986 1175 F CB 1.139 40.139 39.000 0.000 0.000 1.218 1175 F HN 0.207 nan 8.300 nan 0.000 0.484 1176 I N 3.200 124.013 120.570 0.405 0.000 2.569 1176 I HA 0.366 4.534 4.170 -0.003 0.000 0.290 1176 I C -0.984 175.405 176.117 0.455 0.000 1.088 1176 I CA -0.542 60.973 61.300 0.359 0.000 1.047 1176 I CB 2.113 40.235 38.000 0.204 0.000 1.237 1176 I HN 0.333 nan 8.210 nan 0.000 0.421 1177 I N 5.747 126.580 120.570 0.438 0.000 2.396 1177 I HA 0.419 4.587 4.170 -0.003 0.000 0.292 1177 I C -0.151 176.263 176.117 0.495 0.000 0.999 1177 I CA -0.473 61.073 61.300 0.408 0.000 1.310 1177 I CB 1.072 39.200 38.000 0.213 0.000 1.404 1177 I HN 0.469 nan 8.210 nan 0.000 0.496 1178 K N 5.276 126.011 120.400 0.559 0.000 2.477 1178 K HA 0.524 4.842 4.320 -0.003 0.000 0.255 1178 K C -0.927 175.957 176.600 0.473 0.000 0.952 1178 K CA -1.061 55.531 56.287 0.508 0.000 0.826 1178 K CB 2.533 35.253 32.500 0.367 0.000 1.331 1178 K HN 0.472 nan 8.250 nan 0.000 0.437 1179 R N 1.328 121.928 120.500 0.167 0.000 2.537 1179 R HA -0.018 4.320 4.340 -0.003 0.000 0.280 1179 R C 0.774 177.211 176.300 0.229 0.000 1.058 1179 R CA 0.128 56.293 56.100 0.108 0.000 1.057 1179 R CB 0.145 30.339 30.300 -0.178 0.000 0.973 1179 R HN 0.629 nan 8.270 nan 0.000 0.438 1180 Y N 2.236 122.656 120.300 0.201 0.000 2.181 1180 Y HA -0.196 4.352 4.550 -0.004 0.000 0.288 1180 Y C 0.956 176.926 175.900 0.116 0.000 1.146 1180 Y CA 1.803 60.011 58.100 0.181 0.000 1.164 1180 Y CB 0.514 39.098 38.460 0.205 0.000 0.982 1180 Y HN 0.580 nan 8.280 nan 0.000 0.515 1181 T N -1.068 113.628 114.554 0.237 0.000 3.187 1181 T HA 0.271 4.619 4.350 -0.003 0.000 0.328 1181 T C -2.829 171.918 174.700 0.078 0.000 0.951 1181 T CA -1.968 60.202 62.100 0.116 0.000 1.049 1181 T CB 1.476 70.447 68.868 0.172 0.000 1.015 1181 T HN -0.001 nan 8.240 nan 0.000 0.461 1182 P HA -0.064 nan 4.420 nan 0.000 0.169 1182 P C -0.016 177.286 177.300 0.003 0.000 0.959 1182 P CA 0.243 63.330 63.100 -0.021 0.000 1.293 1182 P CB -0.408 31.271 31.700 -0.035 0.000 1.566 1183 N N 2.214 120.930 118.700 0.026 0.000 2.467 1183 N HA -0.011 4.727 4.740 -0.003 0.000 0.262 1183 N C 0.980 176.505 175.510 0.026 0.000 1.234 1183 N CA -0.378 52.698 53.050 0.042 0.000 0.952 1183 N CB 0.182 38.716 38.487 0.079 0.000 1.158 1183 N HN 0.023 nan 8.380 nan 0.000 0.463 1184 N N -0.366 118.352 118.700 0.030 0.000 2.315 1184 N HA -0.282 4.456 4.740 -0.003 0.000 0.195 1184 N C -0.697 174.824 175.510 0.017 0.000 0.842 1184 N CA 1.781 54.845 53.050 0.024 0.000 0.977 1184 N CB -0.194 38.312 38.487 0.031 0.000 1.092 1184 N HN 0.737 nan 8.380 nan 0.000 0.900 1185 E N -0.667 119.541 120.200 0.013 0.000 2.331 1185 E HA 0.314 4.662 4.350 -0.003 0.000 0.275 1185 E C -0.357 176.231 176.600 -0.020 0.000 0.895 1185 E CA -0.646 55.758 56.400 0.005 0.000 0.753 1185 E CB 1.841 31.556 29.700 0.026 0.000 1.216 1185 E HN -0.090 nan 8.360 nan 0.000 0.434 1186 I N 2.495 123.048 120.570 -0.029 0.000 2.204 1186 I HA 0.158 4.326 4.170 -0.003 0.000 0.285 1186 I C 0.089 176.171 176.117 -0.059 0.000 1.112 1186 I CA 0.243 61.513 61.300 -0.049 0.000 1.502 1186 I CB -1.064 36.911 38.000 -0.042 0.000 1.499 1186 I HN 0.466 nan 8.210 nan 0.000 0.661 1187 D N 1.778 122.144 120.400 -0.056 0.000 2.384 1187 D HA 0.346 4.984 4.640 -0.003 0.000 0.250 1187 D C 0.793 177.065 176.300 -0.047 0.000 1.029 1187 D CA -0.105 53.854 54.000 -0.068 0.000 0.990 1187 D CB 2.297 43.101 40.800 0.007 0.000 1.175 1187 D HN 0.287 nan 8.370 nan 0.000 0.532 1188 S N -0.232 115.409 115.700 -0.098 0.000 2.603 1188 S HA 0.207 4.675 4.470 -0.003 0.000 0.232 1188 S C 0.231 175.044 174.600 0.354 0.000 1.016 1188 S CA -0.491 57.762 58.200 0.089 0.000 0.976 1188 S CB 0.097 63.269 63.200 -0.047 0.000 0.921 1188 S HN 0.180 nan 8.310 nan 0.000 0.516 1189 F N 2.772 122.879 119.950 0.263 0.000 2.410 1189 F HA 0.511 5.039 4.527 0.001 0.000 0.348 1189 F C 0.202 176.201 175.800 0.331 0.000 1.106 1189 F CA -2.155 55.968 58.000 0.205 0.000 1.163 1189 F CB 1.018 40.042 39.000 0.038 0.000 1.129 1189 F HN -0.128 nan 8.300 nan 0.000 0.516 1190 V N 4.749 124.834 119.914 0.285 0.000 2.406 1190 V HA 0.289 4.407 4.120 -0.003 0.000 0.272 1190 V C 0.089 176.276 176.094 0.155 0.000 1.043 1190 V CA -0.934 61.383 62.300 0.027 0.000 0.915 1190 V CB 0.643 32.205 31.823 -0.436 0.000 0.988 1190 V HN 0.607 nan 8.190 nan 0.000 0.466 1191 K N 2.392 122.886 120.400 0.157 0.000 2.166 1191 K HA 0.527 4.845 4.320 -0.003 0.000 0.245 1191 K C 0.119 176.676 176.600 -0.072 0.000 0.967 1191 K CA -0.530 55.759 56.287 0.003 0.000 0.863 1191 K CB 1.738 34.189 32.500 -0.081 0.000 1.107 1191 K HN 0.606 nan 8.250 nan 0.000 0.436 1192 S N 0.171 115.793 115.700 -0.130 0.000 2.549 1192 S HA 0.249 4.717 4.470 -0.003 0.000 0.286 1192 S C 1.129 175.648 174.600 -0.136 0.000 1.314 1192 S CA 1.270 59.394 58.200 -0.127 0.000 1.062 1192 S CB -0.213 62.912 63.200 -0.124 0.000 0.865 1192 S HN 0.856 nan 8.310 nan 0.000 0.498 1193 G N 3.847 112.547 108.800 -0.166 0.000 2.234 1193 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.235 1193 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.235 1193 G C -0.266 174.410 174.900 -0.374 0.000 0.997 1193 G CA 0.097 45.046 45.100 -0.252 0.000 0.623 1193 G HN 0.728 nan 8.290 nan 0.000 0.514 1194 D N 0.673 120.959 120.400 -0.190 0.000 2.458 1194 D HA 0.446 5.084 4.640 -0.003 0.000 0.243 1194 D C 0.286 176.499 176.300 -0.144 0.000 1.146 1194 D CA 0.246 54.208 54.000 -0.065 0.000 0.877 1194 D CB 0.190 41.083 40.800 0.155 0.000 1.176 1194 D HN 0.088 nan 8.370 nan 0.000 0.461 1195 F N 2.575 122.614 119.950 0.147 0.000 2.420 1195 F HA 0.351 4.876 4.527 -0.004 0.000 0.352 1195 F C 0.930 176.884 175.800 0.257 0.000 1.108 1195 F CA -0.625 57.455 58.000 0.134 0.000 1.162 1195 F CB 0.386 39.388 39.000 0.004 0.000 1.118 1195 F HN 0.169 nan 8.300 nan 0.000 0.510 1196 I N -0.540 120.298 120.570 0.446 0.000 3.322 1196 I HA 0.655 4.823 4.170 -0.003 0.000 0.313 1196 I C -1.478 174.919 176.117 0.468 0.000 1.129 1196 I CA -1.288 60.292 61.300 0.466 0.000 0.963 1196 I CB 2.696 40.926 38.000 0.383 0.000 1.273 1196 I HN 0.306 nan 8.210 nan 0.000 0.473 1197 K N 1.779 122.430 120.400 0.418 0.000 2.345 1197 K HA 0.608 4.926 4.320 -0.003 0.000 0.255 1197 K C -1.632 175.105 176.600 0.228 0.000 0.934 1197 K CA -0.704 55.754 56.287 0.283 0.000 0.801 1197 K CB 2.720 35.384 32.500 0.273 0.000 1.137 1197 K HN 0.435 nan 8.250 nan 0.000 0.424 1198 L N 3.614 124.867 121.223 0.050 0.000 2.307 1198 L HA 0.479 4.817 4.340 -0.003 0.000 0.284 1198 L C -1.613 175.224 176.870 -0.055 0.000 1.023 1198 L CA -0.233 54.696 54.840 0.148 0.000 0.810 1198 L CB 0.617 42.787 42.059 0.186 0.000 1.231 1198 L HN 0.486 nan 8.230 nan 0.000 0.423 1199 Y N 3.238 123.676 120.300 0.230 0.000 2.545 1199 Y HA 0.692 5.241 4.550 -0.002 0.000 0.348 1199 Y C -0.305 175.628 175.900 0.054 0.000 1.002 1199 Y CA -1.035 57.151 58.100 0.143 0.000 1.039 1199 Y CB 2.114 40.636 38.460 0.104 0.000 1.271 1199 Y HN 0.432 nan 8.280 nan 0.000 0.467 1200 V N -1.089 118.891 119.914 0.110 0.000 2.555 1200 V HA 0.724 4.842 4.120 -0.003 0.000 0.302 1200 V C -0.565 175.557 176.094 0.048 0.000 1.038 1200 V CA -0.774 61.415 62.300 -0.185 0.000 0.887 1200 V CB 1.686 33.236 31.823 -0.455 0.000 0.991 1200 V HN 0.721 nan 8.190 nan 0.000 0.434 1201 S N 4.592 120.290 115.700 -0.003 0.000 2.410 1201 S HA 0.590 5.058 4.470 -0.003 0.000 0.304 1201 S C -1.013 173.682 174.600 0.160 0.000 1.095 1201 S CA -0.152 58.092 58.200 0.073 0.000 1.089 1201 S CB 0.040 63.239 63.200 -0.001 0.000 0.968 1201 S HN 0.863 nan 8.310 nan 0.000 0.480 1202 Y N 3.813 124.176 120.300 0.105 0.000 2.322 1202 Y HA 0.385 4.933 4.550 -0.004 0.000 0.324 1202 Y C 0.144 176.127 175.900 0.138 0.000 1.027 1202 Y CA -0.733 57.412 58.100 0.075 0.000 1.179 1202 Y CB 0.745 39.201 38.460 -0.007 0.000 1.136 1202 Y HN 0.752 nan 8.280 nan 0.000 0.449 1203 N N 4.314 122.875 118.700 -0.232 0.000 2.816 1203 N HA -0.248 4.490 4.740 -0.003 0.000 0.247 1203 N C -0.085 175.401 175.510 -0.040 0.000 1.100 1203 N CA 1.287 54.240 53.050 -0.161 0.000 0.687 1203 N CB -1.333 37.084 38.487 -0.116 0.000 1.003 1203 N HN 0.925 nan 8.380 nan 0.000 0.554 1204 N N -2.719 115.960 118.700 -0.036 0.000 2.927 1204 N HA -0.230 4.508 4.740 -0.003 0.000 0.220 1204 N C -0.926 174.560 175.510 -0.039 0.000 0.845 1204 N CA 1.886 54.917 53.050 -0.032 0.000 1.089 1204 N CB -1.303 37.161 38.487 -0.038 0.000 0.994 1204 N HN 0.714 nan 8.380 nan 0.000 0.616 1205 N N 2.137 120.817 118.700 -0.033 0.000 2.524 1205 N HA 0.192 4.930 4.740 -0.003 0.000 0.283 1205 N C -0.098 175.279 175.510 -0.222 0.000 1.142 1205 N CA 0.223 53.182 53.050 -0.151 0.000 0.984 1205 N CB 0.725 39.081 38.487 -0.219 0.000 1.155 1205 N HN 0.209 nan 8.380 nan 0.000 0.467 1206 E N 0.985 121.027 120.200 -0.262 0.000 2.134 1206 E HA 0.218 4.566 4.350 -0.003 0.000 0.278 1206 E C -0.878 175.639 176.600 -0.138 0.000 0.959 1206 E CA -0.447 55.871 56.400 -0.137 0.000 0.783 1206 E CB 0.609 30.206 29.700 -0.171 0.000 1.095 1206 E HN 0.474 nan 8.360 nan 0.000 0.399 1207 H N 1.373 120.573 119.070 0.218 0.000 2.459 1207 H HA 0.243 4.798 4.556 -0.003 0.000 0.332 1207 H C 0.012 175.480 175.328 0.233 0.000 1.094 1207 H CA -0.816 55.359 56.048 0.212 0.000 1.224 1207 H CB 1.088 30.912 29.762 0.103 0.000 1.449 1207 H HN 0.363 nan 8.280 nan 0.000 0.484 1208 I N 3.115 123.824 120.570 0.230 0.000 2.779 1208 I HA 0.036 4.204 4.170 -0.003 0.000 0.285 1208 I C -0.348 175.743 176.117 -0.043 0.000 1.134 1208 I CA -0.027 61.151 61.300 -0.204 0.000 1.398 1208 I CB 0.716 38.584 38.000 -0.220 0.000 1.404 1208 I HN 0.332 nan 8.210 nan 0.000 0.587 1209 V N 6.594 126.455 119.914 -0.089 0.000 2.459 1209 V HA 0.854 4.972 4.120 -0.003 0.000 0.295 1209 V C 0.465 176.596 176.094 0.063 0.000 1.029 1209 V CA -0.118 62.208 62.300 0.043 0.000 0.874 1209 V CB 1.036 32.925 31.823 0.110 0.000 0.985 1209 V HN 1.032 nan 8.190 nan 0.000 0.438 1210 G N 3.052 111.915 108.800 0.105 0.000 2.494 1210 G HA2 0.489 4.447 3.960 -0.003 0.000 0.308 1210 G HA3 0.489 4.447 3.960 -0.003 0.000 0.308 1210 G C -2.334 172.673 174.900 0.178 0.000 1.263 1210 G CA -0.475 44.711 45.100 0.142 0.000 0.840 1210 G HN 0.550 nan 8.290 nan 0.000 0.479 1211 Y N 1.993 122.315 120.300 0.035 0.000 2.346 1211 Y HA 0.657 5.205 4.550 -0.004 0.000 0.332 1211 Y C -2.506 173.312 175.900 -0.137 0.000 0.985 1211 Y CA -2.644 55.444 58.100 -0.020 0.000 1.112 1211 Y CB 2.698 41.207 38.460 0.082 0.000 1.170 1211 Y HN 0.443 nan 8.280 nan 0.000 0.447 1212 P HA 0.124 nan 4.420 nan 0.000 0.277 1212 P C -1.002 175.648 177.300 -1.084 0.000 1.240 1212 P CA -0.471 62.020 63.100 -1.015 0.000 0.798 1212 P CB 1.434 32.290 31.700 -1.406 0.000 0.979 1213 K N 2.116 122.072 120.400 -0.741 0.000 2.489 1213 K HA -0.078 4.240 4.320 -0.003 0.000 0.278 1213 K C 0.176 176.613 176.600 -0.272 0.000 1.000 1213 K CA 0.412 56.494 56.287 -0.342 0.000 1.012 1213 K CB -0.471 31.925 32.500 -0.173 0.000 0.903 1213 K HN 0.443 nan 8.250 nan 0.000 0.485 1214 D N 1.481 121.827 120.400 -0.091 0.000 2.955 1214 D HA -0.163 4.475 4.640 -0.003 0.000 0.226 1214 D C 0.231 176.474 176.300 -0.094 0.000 1.178 1214 D CA 1.378 55.369 54.000 -0.015 0.000 0.808 1214 D CB -1.399 39.398 40.800 -0.004 0.000 1.099 1214 D HN 0.794 nan 8.370 nan 0.000 0.421 1215 G N 0.446 109.033 108.800 -0.355 0.000 2.544 1215 G HA2 0.156 4.114 3.960 -0.003 0.000 0.242 1215 G HA3 0.156 4.114 3.960 -0.003 0.000 0.242 1215 G C 0.473 175.421 174.900 0.081 0.000 1.247 1215 G CA -0.178 44.739 45.100 -0.306 0.000 0.840 1215 G HN 0.172 nan 8.290 nan 0.000 0.578 1216 N N 0.019 118.734 118.700 0.025 0.000 2.294 1216 N HA 0.318 5.056 4.740 -0.003 0.000 0.248 1216 N C 0.007 175.512 175.510 -0.008 0.000 1.242 1216 N CA 1.061 54.106 53.050 -0.009 0.000 0.848 1216 N CB 0.609 39.051 38.487 -0.076 0.000 1.084 1216 N HN 0.832 nan 8.380 nan 0.000 0.457 1217 A N 2.270 125.024 122.820 -0.109 0.000 2.606 1217 A HA 0.581 4.899 4.320 -0.003 0.000 0.293 1217 A C -1.427 176.023 177.584 -0.223 0.000 1.082 1217 A CA -0.697 51.236 52.037 -0.174 0.000 0.685 1217 A CB 0.567 19.534 19.000 -0.055 0.000 1.284 1217 A HN 0.464 nan 8.150 nan 0.000 0.408 1218 F N 2.040 121.987 119.950 -0.006 0.000 2.413 1218 F HA 0.338 4.863 4.527 -0.004 0.000 0.359 1218 F C 1.247 177.027 175.800 -0.034 0.000 1.122 1218 F CA 0.464 58.478 58.000 0.023 0.000 1.160 1218 F CB 0.437 39.522 39.000 0.142 0.000 1.146 1218 F HN 0.771 nan 8.300 nan 0.000 0.514 1219 N N 3.279 122.069 118.700 0.150 0.000 2.727 1219 N HA -0.313 4.425 4.740 -0.003 0.000 0.249 1219 N C 0.103 175.631 175.510 0.030 0.000 1.048 1219 N CA 0.943 54.034 53.050 0.068 0.000 0.714 1219 N CB -1.081 37.434 38.487 0.046 0.000 0.959 1219 N HN 0.684 nan 8.380 nan 0.000 0.544 1220 N N -2.235 116.480 118.700 0.025 0.000 2.650 1220 N HA -0.265 4.473 4.740 -0.003 0.000 0.249 1220 N C 0.518 176.025 175.510 -0.006 0.000 1.155 1220 N CA 1.670 54.730 53.050 0.016 0.000 0.747 1220 N CB -1.058 37.446 38.487 0.029 0.000 1.132 1220 N HN 0.592 nan 8.380 nan 0.000 0.564 1221 L N -0.169 121.039 121.223 -0.024 0.000 2.630 1221 L HA 0.120 4.458 4.340 -0.003 0.000 0.180 1221 L C 0.040 176.857 176.870 -0.088 0.000 1.221 1221 L CA 0.112 54.922 54.840 -0.049 0.000 0.853 1221 L CB -0.264 41.750 42.059 -0.076 0.000 1.172 1221 L HN -0.153 nan 8.230 nan 0.000 0.508 1222 D N 2.423 122.753 120.400 -0.116 0.000 2.398 1222 D HA 0.100 4.738 4.640 -0.003 0.000 0.250 1222 D C -0.179 176.093 176.300 -0.047 0.000 1.287 1222 D CA 0.267 54.205 54.000 -0.103 0.000 0.992 1222 D CB 0.083 40.717 40.800 -0.277 0.000 1.071 1222 D HN 0.063 nan 8.370 nan 0.000 0.514 1223 R N 2.340 122.727 120.500 -0.187 0.000 2.343 1223 R HA 0.224 4.562 4.340 -0.003 0.000 0.326 1223 R C 0.350 176.529 176.300 -0.201 0.000 1.055 1223 R CA -0.370 55.480 56.100 -0.416 0.000 0.961 1223 R CB 0.380 30.045 30.300 -1.058 0.000 0.978 1223 R HN 0.343 nan 8.270 nan 0.000 0.443 1224 I N 4.881 125.411 120.570 -0.067 0.000 2.662 1224 I HA -0.070 4.098 4.170 -0.003 0.000 0.285 1224 I C 0.706 176.929 176.117 0.177 0.000 1.161 1224 I CA 0.284 61.616 61.300 0.054 0.000 1.415 1224 I CB 0.143 38.105 38.000 -0.063 0.000 1.385 1224 I HN 0.341 nan 8.210 nan 0.000 0.552 1225 L N 7.508 128.841 121.223 0.183 0.000 2.464 1225 L HA 0.424 4.762 4.340 -0.003 0.000 0.264 1225 L C 0.433 177.424 176.870 0.202 0.000 1.199 1225 L CA -0.312 54.649 54.840 0.202 0.000 0.818 1225 L CB 0.319 42.476 42.059 0.164 0.000 1.102 1225 L HN 0.610 nan 8.230 nan 0.000 0.473 1226 R N 0.760 121.359 120.500 0.165 0.000 2.795 1226 R HA 0.662 5.000 4.340 -0.003 0.000 0.275 1226 R C -1.553 174.823 176.300 0.127 0.000 0.981 1226 R CA -0.897 55.294 56.100 0.153 0.000 0.917 1226 R CB 2.504 32.887 30.300 0.137 0.000 1.202 1226 R HN 0.260 nan 8.270 nan 0.000 0.469 1227 V N 1.233 121.201 119.914 0.091 0.000 2.409 1227 V HA 0.415 4.533 4.120 -0.003 0.000 0.291 1227 V C 0.807 176.932 176.094 0.052 0.000 1.020 1227 V CA 0.022 62.350 62.300 0.047 0.000 0.848 1227 V CB 1.349 33.135 31.823 -0.062 0.000 0.990 1227 V HN 1.084 nan 8.190 nan 0.000 0.430 1228 G N 3.937 112.818 108.800 0.134 0.000 2.198 1228 G HA2 -0.323 3.635 3.960 -0.003 0.000 0.260 1228 G HA3 -0.323 3.635 3.960 -0.003 0.000 0.260 1228 G C -0.091 174.883 174.900 0.122 0.000 1.025 1228 G CA 0.388 45.588 45.100 0.166 0.000 0.769 1228 G HN 0.949 nan 8.290 nan 0.000 0.507 1229 Y N 1.423 121.738 120.300 0.026 0.000 2.526 1229 Y HA 0.371 4.918 4.550 -0.004 0.000 0.330 1229 Y C 0.978 176.880 175.900 0.004 0.000 1.156 1229 Y CA 0.444 58.545 58.100 0.002 0.000 1.419 1229 Y CB 0.714 39.163 38.460 -0.018 0.000 1.250 1229 Y HN 0.358 nan 8.280 nan 0.000 0.540 1230 N N 3.311 121.721 118.700 -0.483 0.000 2.471 1230 N HA 0.218 4.956 4.740 -0.003 0.000 0.270 1230 N C -1.189 174.105 175.510 -0.360 0.000 1.490 1230 N CA -0.090 52.799 53.050 -0.269 0.000 0.850 1230 N CB -0.239 38.177 38.487 -0.118 0.000 1.411 1230 N HN 0.556 nan 8.380 nan 0.000 0.488 1231 A N 1.828 124.242 122.820 -0.677 0.000 2.488 1231 A HA 0.430 4.748 4.320 -0.003 0.000 0.249 1231 A C -1.955 175.555 177.584 -0.124 0.000 1.083 1231 A CA -0.782 51.031 52.037 -0.372 0.000 0.768 1231 A CB -0.163 18.635 19.000 -0.337 0.000 1.017 1231 A HN 0.326 nan 8.150 nan 0.000 0.496 1232 P HA 0.228 nan 4.420 nan 0.000 0.271 1232 P C 0.867 178.160 177.300 -0.012 0.000 1.220 1232 P CA 1.225 64.304 63.100 -0.036 0.000 0.768 1232 P CB 0.999 32.678 31.700 -0.035 0.000 0.848 1233 G N 2.895 111.693 108.800 -0.004 0.000 2.205 1233 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.261 1233 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.261 1233 G C 0.145 175.047 174.900 0.004 0.000 0.980 1233 G CA -0.277 44.824 45.100 0.002 0.000 0.632 1233 G HN 0.522 nan 8.290 nan 0.000 0.533 1234 I N 1.911 122.493 120.570 0.019 0.000 2.321 1234 I HA 0.336 4.504 4.170 -0.003 0.000 0.291 1234 I C -2.007 174.086 176.117 -0.040 0.000 0.998 1234 I CA -2.693 58.617 61.300 0.016 0.000 1.227 1234 I CB 0.911 38.993 38.000 0.137 0.000 1.368 1234 I HN -0.143 nan 8.210 nan 0.000 0.466 1235 P HA 0.210 nan 4.420 nan 0.000 0.271 1235 P C -0.640 176.370 177.300 -0.485 0.000 1.216 1235 P CA -0.369 62.564 63.100 -0.278 0.000 0.771 1235 P CB 0.737 32.242 31.700 -0.325 0.000 0.864 1236 L N 5.074 126.098 121.223 -0.332 0.000 2.318 1236 L HA 0.376 4.714 4.340 -0.003 0.000 0.277 1236 L C -1.319 175.440 176.870 -0.185 0.000 1.008 1236 L CA -0.765 53.904 54.840 -0.286 0.000 0.846 1236 L CB -0.064 41.984 42.059 -0.020 0.000 1.220 1236 L HN 0.196 nan 8.230 nan 0.000 0.423 1237 Y N 4.925 125.249 120.300 0.042 0.000 2.531 1237 Y HA 0.351 4.898 4.550 -0.004 0.000 0.347 1237 Y C 0.724 176.711 175.900 0.145 0.000 1.024 1237 Y CA -0.538 57.630 58.100 0.115 0.000 1.306 1237 Y CB 0.409 38.958 38.460 0.149 0.000 1.149 1237 Y HN 0.594 nan 8.280 nan 0.000 0.527 1238 K N 0.286 120.874 120.400 0.313 0.000 2.533 1238 K HA 0.159 4.477 4.320 -0.003 0.000 0.202 1238 K C -0.212 176.588 176.600 0.333 0.000 1.096 1238 K CA -0.420 56.023 56.287 0.261 0.000 1.056 1238 K CB 0.401 32.998 32.500 0.161 0.000 0.890 1238 K HN 0.268 nan 8.250 nan 0.000 0.552 1239 K N 1.760 122.361 120.400 0.335 0.000 2.378 1239 K HA 0.237 4.555 4.320 -0.003 0.000 0.288 1239 K C -0.763 176.006 176.600 0.282 0.000 1.057 1239 K CA 0.102 56.489 56.287 0.167 0.000 0.971 1239 K CB 0.311 32.662 32.500 -0.248 0.000 0.975 1239 K HN 0.202 nan 8.250 nan 0.000 0.475 1240 M N 3.037 122.838 119.600 0.335 0.000 2.602 1240 M HA 0.239 4.717 4.480 -0.003 0.000 0.312 1240 M C -0.904 175.624 176.300 0.380 0.000 1.181 1240 M CA -0.727 54.772 55.300 0.331 0.000 0.910 1240 M CB 2.260 34.992 32.600 0.220 0.000 1.723 1240 M HN 0.587 nan 8.290 nan 0.000 0.459 1241 E N 1.369 121.731 120.200 0.269 0.000 2.176 1241 E HA 0.620 4.968 4.350 -0.003 0.000 0.267 1241 E C -1.468 175.126 176.600 -0.010 0.000 0.893 1241 E CA -0.619 55.814 56.400 0.055 0.000 0.761 1241 E CB 1.713 31.437 29.700 0.040 0.000 1.133 1241 E HN 0.762 nan 8.360 nan 0.000 0.409 1242 A N 4.076 126.857 122.820 -0.065 0.000 2.309 1242 A HA 0.519 4.837 4.320 -0.003 0.000 0.290 1242 A C -0.179 177.340 177.584 -0.109 0.000 1.206 1242 A CA -0.367 51.612 52.037 -0.095 0.000 0.850 1242 A CB 0.229 19.145 19.000 -0.140 0.000 1.118 1242 A HN 0.512 nan 8.150 nan 0.000 0.523 1243 V N -0.176 119.687 119.914 -0.086 0.000 3.160 1243 V HA 0.928 5.046 4.120 -0.003 0.000 0.310 1243 V C -0.762 175.291 176.094 -0.068 0.000 1.181 1243 V CA -1.115 61.141 62.300 -0.073 0.000 1.047 1243 V CB 2.136 33.940 31.823 -0.032 0.000 1.068 1243 V HN 0.718 nan 8.190 nan 0.000 0.441 1244 K N 1.363 121.727 120.400 -0.060 0.000 2.626 1244 K HA 0.626 4.944 4.320 -0.003 0.000 0.223 1244 K C -0.580 175.995 176.600 -0.041 0.000 0.992 1244 K CA -0.223 56.032 56.287 -0.054 0.000 1.024 1244 K CB 0.454 32.918 32.500 -0.060 0.000 1.225 1244 K HN 0.801 nan 8.250 nan 0.000 0.498 1245 L N 2.916 124.119 121.223 -0.034 0.000 2.640 1245 L HA 0.351 4.689 4.340 -0.003 0.000 0.230 1245 L C 0.164 177.018 176.870 -0.026 0.000 1.123 1245 L CA -0.200 54.630 54.840 -0.017 0.000 0.900 1245 L CB -0.107 41.959 42.059 0.012 0.000 1.146 1245 L HN 0.520 nan 8.230 nan 0.000 0.484 1246 R N -3.486 116.990 120.500 -0.041 0.000 2.780 1246 R HA 0.276 4.614 4.340 -0.003 0.000 0.280 1246 R C -1.049 175.222 176.300 -0.049 0.000 1.016 1246 R CA -1.033 55.041 56.100 -0.043 0.000 0.854 1246 R CB -0.151 30.122 30.300 -0.044 0.000 1.293 1246 R HN -0.208 nan 8.270 nan 0.000 0.483 1247 D N 0.037 120.410 120.400 -0.045 0.000 2.735 1247 D HA -0.134 4.504 4.640 -0.003 0.000 0.235 1247 D C 0.487 176.761 176.300 -0.043 0.000 1.175 1247 D CA 0.718 54.691 54.000 -0.044 0.000 0.683 1247 D CB -0.043 40.721 40.800 -0.059 0.000 1.008 1247 D HN 0.575 nan 8.370 nan 0.000 0.416 1248 L N 1.261 122.457 121.223 -0.046 0.000 2.089 1248 L HA -0.187 4.151 4.340 -0.003 0.000 0.213 1248 L C 2.105 178.943 176.870 -0.053 0.000 1.079 1248 L CA 2.135 56.944 54.840 -0.051 0.000 0.758 1248 L CB -0.218 41.798 42.059 -0.072 0.000 0.891 1248 L HN 0.228 nan 8.230 nan 0.000 0.433 1249 K N -0.998 119.366 120.400 -0.059 0.000 2.366 1249 K HA 0.007 4.325 4.320 -0.003 0.000 0.198 1249 K C 0.567 177.100 176.600 -0.112 0.000 1.044 1249 K CA 0.854 57.109 56.287 -0.052 0.000 0.973 1249 K CB -0.318 32.197 32.500 0.025 0.000 0.767 1249 K HN 0.563 nan 8.250 nan 0.000 0.475 1250 T N -1.405 113.093 114.554 -0.093 0.000 2.837 1250 T HA 0.165 4.513 4.350 -0.003 0.000 0.285 1250 T C -0.104 174.575 174.700 -0.036 0.000 0.984 1250 T CA -0.754 61.271 62.100 -0.124 0.000 1.049 1250 T CB 0.580 69.420 68.868 -0.047 0.000 0.947 1250 T HN -0.028 nan 8.240 nan 0.000 0.472 1251 Y N 3.094 123.465 120.300 0.119 0.000 2.758 1251 Y HA 0.338 4.887 4.550 -0.001 0.000 0.351 1251 Y C 1.305 177.291 175.900 0.144 0.000 1.214 1251 Y CA -0.903 57.261 58.100 0.107 0.000 1.983 1251 Y CB -1.443 37.070 38.460 0.088 0.000 2.062 1251 Y HN 0.854 nan 8.280 nan 0.000 0.416 1252 S N -0.933 114.854 115.700 0.146 0.000 2.599 1252 S HA 0.925 5.393 4.470 -0.003 0.000 0.294 1252 S C -0.803 173.812 174.600 0.024 0.000 1.094 1252 S CA -0.817 57.398 58.200 0.026 0.000 0.931 1252 S CB 2.373 65.452 63.200 -0.202 0.000 1.093 1252 S HN -0.004 nan 8.310 nan 0.000 0.488 1253 V N 1.133 121.084 119.914 0.060 0.000 3.040 1253 V HA 0.599 4.717 4.120 -0.003 0.000 0.312 1253 V C -1.070 175.076 176.094 0.086 0.000 1.115 1253 V CA -0.775 61.533 62.300 0.014 0.000 0.998 1253 V CB 2.172 33.920 31.823 -0.125 0.000 1.042 1253 V HN 0.958 nan 8.190 nan 0.000 0.433 1254 Q N 1.919 121.731 119.800 0.021 0.000 2.348 1254 Q HA 0.770 5.108 4.340 -0.003 0.000 0.271 1254 Q C -1.398 174.616 176.000 0.024 0.000 1.067 1254 Q CA -0.353 55.473 55.803 0.039 0.000 0.839 1254 Q CB 2.420 31.121 28.738 -0.061 0.000 1.354 1254 Q HN 0.584 nan 8.270 nan 0.000 0.447 1255 L N 1.335 122.577 121.223 0.032 0.000 2.349 1255 L HA 0.556 4.894 4.340 -0.003 0.000 0.278 1255 L C -0.597 176.265 176.870 -0.014 0.000 0.996 1255 L CA -0.724 54.117 54.840 0.003 0.000 0.825 1255 L CB 1.696 43.741 42.059 -0.023 0.000 1.243 1255 L HN 0.395 nan 8.230 nan 0.000 0.412 1256 K N 3.749 124.145 120.400 -0.006 0.000 2.265 1256 K HA 0.493 4.811 4.320 -0.003 0.000 0.267 1256 K C -1.274 175.263 176.600 -0.105 0.000 0.994 1256 K CA -0.727 55.525 56.287 -0.058 0.000 0.860 1256 K CB 1.543 34.014 32.500 -0.049 0.000 1.099 1256 K HN 0.386 nan 8.250 nan 0.000 0.448 1257 L N 5.377 126.531 121.223 -0.115 0.000 2.289 1257 L HA 0.407 4.745 4.340 -0.003 0.000 0.285 1257 L C -1.605 175.173 176.870 -0.153 0.000 1.049 1257 L CA -0.130 54.688 54.840 -0.036 0.000 0.804 1257 L CB 0.515 42.607 42.059 0.056 0.000 1.195 1257 L HN 0.553 nan 8.230 nan 0.000 0.428 1258 Y N 1.962 122.323 120.300 0.101 0.000 2.567 1258 Y HA 0.474 5.021 4.550 -0.004 0.000 0.333 1258 Y C 0.183 176.059 175.900 -0.041 0.000 1.106 1258 Y CA -0.809 57.304 58.100 0.022 0.000 1.157 1258 Y CB 1.167 39.623 38.460 -0.007 0.000 1.277 1258 Y HN 0.753 nan 8.280 nan 0.000 0.490 1259 D N -1.263 119.118 120.400 -0.032 0.000 2.475 1259 D HA 0.080 4.718 4.640 -0.003 0.000 0.286 1259 D C -0.115 176.085 176.300 -0.165 0.000 1.205 1259 D CA -0.153 53.555 54.000 -0.486 0.000 1.092 1259 D CB 0.327 40.578 40.800 -0.916 0.000 1.147 1259 D HN 0.406 nan 8.370 nan 0.000 0.575 1260 D N -1.567 118.747 120.400 -0.143 0.000 2.339 1260 D HA 0.047 4.685 4.640 -0.003 0.000 0.217 1260 D C 0.115 176.397 176.300 -0.030 0.000 1.050 1260 D CA 0.311 54.334 54.000 0.039 0.000 0.856 1260 D CB 0.256 41.172 40.800 0.194 0.000 0.922 1260 D HN 0.345 nan 8.370 nan 0.000 0.518 1261 K N 1.093 121.447 120.400 -0.076 0.000 3.010 1261 K HA 0.155 4.473 4.320 -0.003 0.000 0.211 1261 K C -0.073 176.484 176.600 -0.072 0.000 1.146 1261 K CA -0.341 55.909 56.287 -0.062 0.000 1.070 1261 K CB 0.453 32.927 32.500 -0.043 0.000 0.908 1261 K HN -0.145 nan 8.250 nan 0.000 0.463 1262 N N 0.351 118.989 118.700 -0.104 0.000 2.681 1262 N HA -0.212 4.526 4.740 -0.003 0.000 0.250 1262 N C -0.477 175.057 175.510 0.040 0.000 1.133 1262 N CA 1.129 54.105 53.050 -0.124 0.000 0.732 1262 N CB -0.938 37.451 38.487 -0.163 0.000 1.107 1262 N HN 0.428 nan 8.380 nan 0.000 0.559 1263 A N 0.380 123.244 122.820 0.073 0.000 2.309 1263 A HA 0.489 4.807 4.320 -0.003 0.000 0.298 1263 A C 0.604 178.292 177.584 0.173 0.000 1.165 1263 A CA -0.191 51.902 52.037 0.093 0.000 0.821 1263 A CB 1.068 20.069 19.000 0.001 0.000 1.102 1263 A HN 0.197 nan 8.150 nan 0.000 0.500 1264 S N 2.281 118.052 115.700 0.118 0.000 2.465 1264 S HA 0.216 4.684 4.470 -0.003 0.000 0.280 1264 S C 0.642 175.230 174.600 -0.020 0.000 1.232 1264 S CA -0.445 57.731 58.200 -0.041 0.000 1.066 1264 S CB -0.494 62.662 63.200 -0.073 0.000 0.929 1264 S HN 0.571 nan 8.310 nan 0.000 0.494 1265 L N 5.179 126.373 121.223 -0.049 0.000 2.612 1265 L HA 0.326 4.664 4.340 -0.003 0.000 0.230 1265 L C 1.323 178.198 176.870 0.007 0.000 1.140 1265 L CA 0.264 55.092 54.840 -0.019 0.000 0.896 1265 L CB -1.162 40.895 42.059 -0.004 0.000 1.065 1265 L HN 1.012 nan 8.230 nan 0.000 0.447 1266 G N 0.160 109.003 108.800 0.073 0.000 2.603 1266 G HA2 -0.148 3.810 3.960 -0.003 0.000 0.686 1266 G HA3 -0.148 3.810 3.960 -0.003 0.000 0.686 1266 G C -0.941 174.018 174.900 0.098 0.000 1.286 1266 G CA -1.004 44.198 45.100 0.170 0.000 0.871 1266 G HN -0.046 nan 8.290 nan 0.000 0.568 1267 L N 0.218 121.483 121.223 0.071 0.000 2.312 1267 L HA 0.480 4.818 4.340 -0.003 0.000 0.281 1267 L C 1.118 178.007 176.870 0.031 0.000 1.070 1267 L CA -1.118 53.687 54.840 -0.058 0.000 0.805 1267 L CB 1.519 43.385 42.059 -0.321 0.000 1.174 1267 L HN 0.509 nan 8.230 nan 0.000 0.434 1268 V N 3.018 122.943 119.914 0.017 0.000 2.599 1268 V HA 0.347 4.465 4.120 -0.003 0.000 0.300 1268 V C 0.824 177.048 176.094 0.217 0.000 1.034 1268 V CA 0.685 63.044 62.300 0.098 0.000 1.115 1268 V CB 0.410 32.216 31.823 -0.029 0.000 0.934 1268 V HN 1.038 nan 8.190 nan 0.000 0.485 1269 G N 3.785 112.775 108.800 0.317 0.000 2.793 1269 G HA2 0.763 4.721 3.960 -0.003 0.000 0.248 1269 G HA3 0.763 4.721 3.960 -0.003 0.000 0.248 1269 G C -0.575 174.586 174.900 0.435 0.000 1.198 1269 G CA 0.233 45.522 45.100 0.315 0.000 0.865 1269 G HN 0.872 nan 8.290 nan 0.000 0.534 1270 T N -3.030 111.735 114.554 0.352 0.000 2.903 1270 T HA 0.716 5.064 4.350 -0.003 0.000 0.299 1270 T C -1.404 173.449 174.700 0.255 0.000 1.093 1270 T CA -0.579 61.698 62.100 0.295 0.000 1.002 1270 T CB 2.161 71.162 68.868 0.221 0.000 1.127 1270 T HN 0.774 nan 8.240 nan 0.000 0.488 1271 H N 1.629 120.730 119.070 0.051 0.000 2.717 1271 H HA 0.405 4.959 4.556 -0.003 0.000 0.366 1271 H C -0.943 174.253 175.328 -0.219 0.000 1.132 1271 H CA -0.780 55.177 56.048 -0.152 0.000 1.180 1271 H CB 1.825 31.427 29.762 -0.266 0.000 1.678 1271 H HN 0.715 nan 8.280 nan 0.000 0.537 1272 N N 3.244 121.651 118.700 -0.489 0.000 2.645 1272 N HA 0.213 4.951 4.740 -0.003 0.000 0.233 1272 N C -0.823 174.313 175.510 -0.624 0.000 1.058 1272 N CA -0.044 52.762 53.050 -0.407 0.000 0.942 1272 N CB 0.764 39.098 38.487 -0.254 0.000 1.210 1272 N HN 0.795 nan 8.380 nan 0.000 0.512 1273 G N 1.455 109.913 108.800 -0.570 0.000 3.022 1273 G HA2 0.489 4.447 3.960 -0.003 0.000 0.284 1273 G HA3 0.489 4.447 3.960 -0.003 0.000 0.284 1273 G C -1.483 173.363 174.900 -0.089 0.000 1.375 1273 G CA -0.371 44.450 45.100 -0.465 0.000 0.902 1273 G HN 0.450 nan 8.290 nan 0.000 0.538 1274 Q N -0.504 119.320 119.800 0.040 0.000 2.340 1274 Q HA 0.596 4.934 4.340 -0.003 0.000 0.268 1274 Q C -0.723 175.312 176.000 0.059 0.000 1.031 1274 Q CA -0.203 55.618 55.803 0.029 0.000 0.804 1274 Q CB 2.823 31.561 28.738 -0.000 0.000 1.286 1274 Q HN 0.415 nan 8.270 nan 0.000 0.448 1275 I N 2.504 123.055 120.570 -0.033 0.000 2.339 1275 I HA 0.535 4.703 4.170 -0.003 0.000 0.290 1275 I C 1.001 177.115 176.117 -0.005 0.000 0.994 1275 I CA -0.162 61.091 61.300 -0.078 0.000 1.191 1275 I CB 0.998 38.842 38.000 -0.260 0.000 1.343 1275 I HN 0.868 nan 8.210 nan 0.000 0.458 1276 G N 6.400 115.201 108.800 0.002 0.000 2.583 1276 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.292 1276 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.292 1276 G C 0.435 175.346 174.900 0.018 0.000 1.203 1276 G CA 0.229 45.340 45.100 0.019 0.000 0.987 1276 G HN 0.659 nan 8.290 nan 0.000 0.554 1277 N N 2.216 120.930 118.700 0.023 0.000 2.275 1277 N HA 0.208 4.946 4.740 -0.003 0.000 0.236 1277 N C -0.391 175.128 175.510 0.015 0.000 1.154 1277 N CA 0.121 53.180 53.050 0.015 0.000 0.866 1277 N CB 0.322 38.817 38.487 0.013 0.000 1.093 1277 N HN 0.479 nan 8.380 nan 0.000 0.515 1278 D N 1.879 122.294 120.400 0.025 0.000 2.360 1278 D HA 0.168 4.806 4.640 -0.003 0.000 0.242 1278 D C -1.754 174.544 176.300 -0.005 0.000 1.184 1278 D CA -0.856 53.156 54.000 0.020 0.000 0.930 1278 D CB 0.533 41.373 40.800 0.067 0.000 1.161 1278 D HN 0.112 nan 8.370 nan 0.000 0.447 1279 P HA -0.029 nan 4.420 nan 0.000 0.272 1279 P C 0.063 177.340 177.300 -0.039 0.000 1.223 1279 P CA -0.464 62.617 63.100 -0.031 0.000 0.784 1279 P CB 0.572 32.251 31.700 -0.035 0.000 0.923 1280 N N 2.656 121.335 118.700 -0.035 0.000 2.411 1280 N HA -0.028 4.710 4.740 -0.003 0.000 0.261 1280 N C -0.314 175.172 175.510 -0.039 0.000 1.248 1280 N CA 0.600 53.622 53.050 -0.045 0.000 0.885 1280 N CB 0.164 38.620 38.487 -0.051 0.000 1.062 1280 N HN 0.372 nan 8.380 nan 0.000 0.471 1281 R N 1.485 121.962 120.500 -0.039 0.000 2.836 1281 R HA 0.300 4.638 4.340 -0.003 0.000 0.269 1281 R C -1.284 175.037 176.300 0.035 0.000 1.010 1281 R CA -0.818 55.291 56.100 0.015 0.000 0.930 1281 R CB 1.242 31.553 30.300 0.017 0.000 1.218 1281 R HN 0.464 nan 8.270 nan 0.000 0.473 1282 D N 2.057 122.531 120.400 0.124 0.000 2.428 1282 D HA 0.264 4.902 4.640 -0.003 0.000 0.221 1282 D C -0.397 176.051 176.300 0.247 0.000 1.123 1282 D CA 0.084 54.158 54.000 0.124 0.000 0.869 1282 D CB 0.707 41.580 40.800 0.122 0.000 1.032 1282 D HN 0.254 nan 8.370 nan 0.000 0.506 1283 I N 2.614 123.323 120.570 0.232 0.000 2.353 1283 I HA 0.139 4.307 4.170 -0.003 0.000 0.293 1283 I C 0.614 176.939 176.117 0.345 0.000 0.992 1283 I CA -0.811 60.688 61.300 0.332 0.000 1.268 1283 I CB 1.588 39.747 38.000 0.264 0.000 1.387 1283 I HN 0.053 nan 8.210 nan 0.000 0.478 1284 L N 6.971 128.408 121.223 0.356 0.000 2.462 1284 L HA 0.200 4.538 4.340 -0.003 0.000 0.272 1284 L C -0.124 176.911 176.870 0.274 0.000 1.166 1284 L CA 0.359 55.387 54.840 0.313 0.000 0.880 1284 L CB -0.143 42.059 42.059 0.239 0.000 1.142 1284 L HN 0.528 nan 8.230 nan 0.000 0.473 1285 I N 0.962 121.690 120.570 0.263 0.000 3.343 1285 I HA 0.878 5.046 4.170 -0.003 0.000 0.315 1285 I C -0.520 175.696 176.117 0.164 0.000 1.153 1285 I CA -1.110 60.308 61.300 0.197 0.000 0.952 1285 I CB 1.897 40.029 38.000 0.221 0.000 1.287 1285 I HN 0.416 nan 8.210 nan 0.000 0.472 1286 A N 1.124 123.990 122.820 0.076 0.000 2.319 1286 A HA 0.863 5.181 4.320 -0.003 0.000 0.310 1286 A C -0.629 176.993 177.584 0.063 0.000 1.152 1286 A CA -0.353 51.728 52.037 0.074 0.000 0.783 1286 A CB 0.883 19.878 19.000 -0.009 0.000 1.184 1286 A HN 0.916 nan 8.150 nan 0.000 0.474 1287 S N 1.381 117.190 115.700 0.182 0.000 2.549 1287 S HA 0.425 4.893 4.470 -0.003 0.000 0.280 1287 S C -0.028 174.682 174.600 0.183 0.000 1.109 1287 S CA -0.678 57.583 58.200 0.103 0.000 0.905 1287 S CB 1.188 64.351 63.200 -0.062 0.000 1.081 1287 S HN 0.621 nan 8.310 nan 0.000 0.477 1288 N N 2.250 121.060 118.700 0.183 0.000 2.336 1288 N HA 0.026 4.764 4.740 -0.003 0.000 0.189 1288 N C 1.166 176.852 175.510 0.292 0.000 1.113 1288 N CA 0.063 53.315 53.050 0.336 0.000 0.858 1288 N CB 0.013 38.669 38.487 0.282 0.000 0.970 1288 N HN 0.800 nan 8.380 nan 0.000 0.471 1289 W N 1.178 122.438 121.300 -0.065 0.000 2.374 1289 W HA -0.200 4.458 4.660 -0.004 0.000 0.288 1289 W C 0.744 177.240 176.519 -0.039 0.000 1.218 1289 W CA 0.867 58.153 57.345 -0.099 0.000 1.245 1289 W CB -0.233 29.068 29.460 -0.266 0.000 1.126 1289 W HN 0.061 nan 8.180 nan 0.000 0.545 1290 Y N -0.002 120.360 120.300 0.103 0.000 2.165 1290 Y HA -0.248 4.301 4.550 -0.003 0.000 0.286 1290 Y C 2.233 178.031 175.900 -0.169 0.000 1.155 1290 Y CA 1.963 60.020 58.100 -0.071 0.000 1.164 1290 Y CB -1.612 36.711 38.460 -0.228 0.000 0.978 1290 Y HN -0.200 nan 8.280 nan 0.000 0.513 1291 F N -0.001 119.998 119.950 0.081 0.000 2.449 1291 F HA -0.199 4.326 4.527 -0.004 0.000 0.299 1291 F C 1.502 177.203 175.800 -0.165 0.000 1.092 1291 F CA 1.089 59.072 58.000 -0.029 0.000 1.446 1291 F CB -0.440 38.541 39.000 -0.032 0.000 1.084 1291 F HN 0.141 nan 8.300 nan 0.000 0.567 1292 N N -1.200 117.381 118.700 -0.198 0.000 2.251 1292 N HA 0.014 4.752 4.740 -0.003 0.000 0.217 1292 N C 0.282 175.242 175.510 -0.917 0.000 1.124 1292 N CA 0.330 53.050 53.050 -0.549 0.000 0.843 1292 N CB 0.007 38.011 38.487 -0.805 0.000 1.024 1292 N HN 0.421 nan 8.380 nan 0.000 0.501 1293 H N -0.494 118.453 119.070 -0.204 0.000 3.109 1293 H HA 0.204 4.758 4.556 -0.004 0.000 0.248 1293 H C 1.348 176.641 175.328 -0.058 0.000 1.177 1293 H CA -0.120 55.846 56.048 -0.136 0.000 0.977 1293 H CB 0.533 30.216 29.762 -0.132 0.000 2.165 1293 H HN 0.033 nan 8.280 nan 0.000 0.693 1294 L N 0.250 121.479 121.223 0.011 0.000 2.450 1294 L HA -0.109 4.229 4.340 -0.003 0.000 0.224 1294 L C 2.014 178.884 176.870 -0.000 0.000 1.149 1294 L CA 0.982 55.827 54.840 0.008 0.000 0.816 1294 L CB -0.137 41.927 42.059 0.008 0.000 0.932 1294 L HN -0.043 nan 8.230 nan 0.000 0.449 1295 K N -0.380 120.019 120.400 -0.002 0.000 2.361 1295 K HA 0.075 4.393 4.320 -0.003 0.000 0.196 1295 K C 0.110 176.716 176.600 0.009 0.000 1.039 1295 K CA 0.158 56.442 56.287 -0.005 0.000 1.001 1295 K CB -0.130 32.361 32.500 -0.016 0.000 0.795 1295 K HN 0.248 nan 8.250 nan 0.000 0.495 1296 D N 1.384 121.803 120.400 0.031 0.000 2.419 1296 D HA -0.008 4.630 4.640 -0.003 0.000 0.236 1296 D C 1.266 177.575 176.300 0.014 0.000 1.165 1296 D CA 0.320 54.342 54.000 0.036 0.000 0.882 1296 D CB 0.848 41.686 40.800 0.063 0.000 1.201 1296 D HN -0.162 nan 8.370 nan 0.000 0.443 1297 K N 0.540 120.947 120.400 0.013 0.000 1.967 1297 K HA 0.033 4.351 4.320 -0.003 0.000 0.212 1297 K C 0.614 177.210 176.600 -0.007 0.000 1.044 1297 K CA 0.777 57.067 56.287 0.005 0.000 0.942 1297 K CB -0.042 32.466 32.500 0.013 0.000 0.726 1297 K HN 0.406 nan 8.250 nan 0.000 0.440 1298 I N 1.735 122.301 120.570 -0.006 0.000 2.359 1298 I HA 0.084 4.252 4.170 -0.003 0.000 0.294 1298 I C 0.712 176.815 176.117 -0.023 0.000 0.987 1298 I CA -0.243 61.042 61.300 -0.025 0.000 1.225 1298 I CB 1.449 39.439 38.000 -0.016 0.000 1.366 1298 I HN 0.154 nan 8.210 nan 0.000 0.466 1299 L N 3.861 125.052 121.223 -0.054 0.000 3.194 1299 L HA 0.555 4.893 4.340 -0.003 0.000 0.183 1299 L C 1.391 178.248 176.870 -0.023 0.000 1.359 1299 L CA 0.562 55.392 54.840 -0.017 0.000 1.759 1299 L CB 0.474 42.514 42.059 -0.032 0.000 1.854 1299 L HN 0.808 nan 8.230 nan 0.000 0.906 1300 G N -2.134 106.584 108.800 -0.137 0.000 3.942 1300 G HA2 -0.167 3.791 3.960 -0.003 0.000 0.219 1300 G HA3 -0.167 3.791 3.960 -0.003 0.000 0.219 1300 G C 0.654 175.265 174.900 -0.483 0.000 0.869 1300 G CA 0.306 45.300 45.100 -0.178 0.000 0.851 1300 G HN 0.502 nan 8.290 nan 0.000 0.560 1301 C N 0.823 119.714 119.300 -0.681 0.000 2.754 1301 C HA 0.507 4.965 4.460 -0.003 0.000 0.276 1301 C C -0.246 174.416 174.990 -0.546 0.000 1.264 1301 C CA -1.198 57.335 59.018 -0.809 0.000 1.700 1301 C CB -0.811 26.208 27.740 -1.201 0.000 1.885 1301 C HN 0.177 nan 8.230 nan 0.000 0.607 1302 D N 0.957 120.993 120.400 -0.608 0.000 2.249 1302 D HA 0.352 4.990 4.640 -0.003 0.000 0.246 1302 D C -0.861 175.016 176.300 -0.706 0.000 1.114 1302 D CA 0.476 54.188 54.000 -0.479 0.000 0.854 1302 D CB 0.680 41.251 40.800 -0.382 0.000 1.132 1302 D HN 0.604 nan 8.370 nan 0.000 0.461 1303 W N 1.648 122.840 121.300 -0.180 0.000 2.736 1303 W HA 0.345 5.003 4.660 -0.003 0.000 0.335 1303 W C -0.472 176.029 176.519 -0.031 0.000 1.059 1303 W CA -0.962 56.306 57.345 -0.128 0.000 1.226 1303 W CB 0.953 30.369 29.460 -0.074 0.000 1.416 1303 W HN 0.210 nan 8.180 nan 0.000 0.505 1304 Y N 2.070 122.537 120.300 0.278 0.000 2.326 1304 Y HA 0.392 4.940 4.550 -0.004 0.000 0.337 1304 Y C -0.431 175.559 175.900 0.151 0.000 1.023 1304 Y CA -1.111 57.140 58.100 0.252 0.000 1.143 1304 Y CB 0.506 39.086 38.460 0.200 0.000 1.183 1304 Y HN 0.134 nan 8.280 nan 0.000 0.485 1305 F N 3.106 123.137 119.950 0.135 0.000 2.313 1305 F HA 0.400 4.925 4.527 -0.004 0.000 0.369 1305 F C -0.383 175.430 175.800 0.021 0.000 1.109 1305 F CA -1.075 56.883 58.000 -0.070 0.000 1.132 1305 F CB 0.712 39.411 39.000 -0.503 0.000 1.291 1305 F HN 0.066 nan 8.300 nan 0.000 0.496 1306 V N 6.554 126.585 119.914 0.195 0.000 2.348 1306 V HA 0.366 4.484 4.120 -0.003 0.000 0.270 1306 V C -2.123 174.295 176.094 0.541 0.000 1.037 1306 V CA -1.620 60.757 62.300 0.130 0.000 0.872 1306 V CB 0.827 32.514 31.823 -0.227 0.000 1.002 1306 V HN 0.435 nan 8.190 nan 0.000 0.464 1307 P HA 0.323 nan 4.420 nan 0.000 0.290 1307 P C -0.289 177.427 177.300 0.692 0.000 1.283 1307 P CA -0.461 62.995 63.100 0.593 0.000 0.869 1307 P CB 1.404 33.423 31.700 0.532 0.000 1.100 1308 T N 1.744 116.523 114.554 0.375 0.000 2.902 1308 T HA 0.171 4.519 4.350 -0.003 0.000 0.301 1308 T C -0.166 174.655 174.700 0.202 0.000 1.012 1308 T CA 0.882 63.013 62.100 0.052 0.000 1.151 1308 T CB -0.288 68.435 68.868 -0.242 0.000 0.946 1308 T HN 0.460 nan 8.240 nan 0.000 0.542 1309 D N 0.330 120.873 120.400 0.238 0.000 2.819 1309 D HA 0.219 4.857 4.640 -0.003 0.000 0.232 1309 D C 1.064 177.408 176.300 0.073 0.000 1.160 1309 D CA -0.701 53.346 54.000 0.079 0.000 0.858 1309 D CB 1.342 41.999 40.800 -0.239 0.000 1.610 1309 D HN 0.593 nan 8.370 nan 0.000 0.481 1310 E N 1.596 121.821 120.200 0.042 0.000 2.338 1310 E HA -0.055 4.293 4.350 -0.003 0.000 0.197 1310 E C 1.397 178.079 176.600 0.137 0.000 1.007 1310 E CA 0.631 57.088 56.400 0.094 0.000 0.849 1310 E CB -0.056 29.695 29.700 0.084 0.000 0.774 1310 E HN 0.449 nan 8.360 nan 0.000 0.506 1311 G N 0.586 109.426 108.800 0.067 0.000 2.848 1311 G HA2 -0.134 3.824 3.960 -0.003 0.000 0.208 1311 G HA3 -0.134 3.824 3.960 -0.003 0.000 0.208 1311 G C -0.455 174.450 174.900 0.009 0.000 1.152 1311 G CA -0.164 44.947 45.100 0.018 0.000 0.789 1311 G HN 0.320 nan 8.290 nan 0.000 0.531 1312 W N 1.651 122.882 121.300 -0.114 0.000 3.097 1312 W HA 0.413 5.071 4.660 -0.004 0.000 0.325 1312 W C -1.102 175.530 176.519 0.187 0.000 1.056 1312 W CA -0.823 56.517 57.345 -0.009 0.000 1.254 1312 W CB 1.035 30.504 29.460 0.015 0.000 1.202 1312 W HN 0.059 nan 8.180 nan 0.000 0.400 1313 T N 2.190 116.873 114.554 0.215 0.000 2.861 1313 T HA 0.446 4.794 4.350 -0.003 0.000 0.287 1313 T C -0.204 174.561 174.700 0.109 0.000 1.003 1313 T CA -0.723 61.556 62.100 0.299 0.000 0.977 1313 T CB 1.770 70.722 68.868 0.140 0.000 0.996 1313 T HN 0.310 nan 8.240 nan 0.000 0.448 1314 N N 3.368 122.229 118.700 0.268 0.000 2.492 1314 N HA 0.128 4.866 4.740 -0.003 0.000 0.262 1314 N C 0.016 175.503 175.510 -0.038 0.000 1.202 1314 N CA -0.073 53.090 53.050 0.189 0.000 0.926 1314 N CB 0.515 39.163 38.487 0.269 0.000 1.078 1314 N HN 0.664 nan 8.380 nan 0.000 0.454 1315 D N 0.000 120.226 120.400 -0.290 0.000 6.856 1315 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 1315 D CA 0.000 53.732 54.000 -0.447 0.000 0.868 1315 D CB 0.000 40.211 40.800 -0.982 0.000 0.688 1315 D HN 0.000 nan 8.370 nan 0.000 0.683