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 1af9_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 0.000 176.593 176.600 -0.012 0.000 1.382 875 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 875 E CB 0.000 29.697 29.700 -0.006 0.000 0.812 876 D N 0.606 120.999 120.400 -0.011 0.000 2.210 876 D HA 0.245 4.885 4.640 0.000 0.000 0.249 876 D C 1.284 177.572 176.300 -0.021 0.000 1.078 876 D CA -0.325 53.665 54.000 -0.017 0.000 0.875 876 D CB 1.076 41.867 40.800 -0.015 0.000 1.175 876 D HN 0.080 nan 8.370 nan 0.000 0.440 877 I N 2.091 122.643 120.570 -0.031 0.000 2.194 877 I HA -0.290 3.880 4.170 0.000 0.000 0.246 877 I C 1.538 177.637 176.117 -0.030 0.000 1.093 877 I CA 1.077 62.352 61.300 -0.041 0.000 1.355 877 I CB -0.075 37.891 38.000 -0.056 0.000 1.046 877 I HN 0.458 nan 8.210 nan 0.000 0.413 878 D N 0.416 120.799 120.400 -0.027 0.000 2.178 878 D HA -0.128 4.512 4.640 0.000 0.000 0.201 878 D C 2.361 178.663 176.300 0.002 0.000 0.980 878 D CA 1.200 55.189 54.000 -0.019 0.000 0.842 878 D CB -0.109 40.675 40.800 -0.027 0.000 0.948 878 D HN 0.227 nan 8.370 nan 0.000 0.472 879 V N 1.490 121.405 119.914 0.002 0.000 2.283 879 V HA -0.200 3.920 4.120 0.000 0.000 0.243 879 V C 2.583 178.696 176.094 0.031 0.000 1.039 879 V CA 1.015 63.324 62.300 0.014 0.000 1.016 879 V CB -0.359 31.469 31.823 0.008 0.000 0.650 879 V HN 0.134 nan 8.190 nan 0.000 0.449 880 I N -0.085 120.497 120.570 0.021 0.000 2.151 880 I HA -0.308 3.862 4.170 0.000 0.000 0.243 880 I C 2.359 178.518 176.117 0.069 0.000 1.080 880 I CA 1.767 63.085 61.300 0.029 0.000 1.339 880 I CB -0.549 37.446 38.000 -0.009 0.000 1.039 880 I HN 0.243 nan 8.210 nan 0.000 0.409 881 L N 0.243 121.504 121.223 0.064 0.000 2.131 881 L HA -0.200 4.140 4.340 0.000 0.000 0.210 881 L C 2.684 179.693 176.870 0.232 0.000 1.092 881 L CA 1.132 56.075 54.840 0.172 0.000 0.759 881 L CB -0.640 41.487 42.059 0.114 0.000 0.903 881 L HN 0.230 nan 8.230 nan 0.000 0.435 882 K N 0.931 121.406 120.400 0.124 0.000 1.991 882 K HA -0.131 4.189 4.320 0.000 0.000 0.207 882 K C 2.087 178.755 176.600 0.114 0.000 1.045 882 K CA 1.467 57.812 56.287 0.097 0.000 0.937 882 K CB -0.023 32.510 32.500 0.055 0.000 0.720 882 K HN 0.259 nan 8.250 nan 0.000 0.438 883 K N 0.185 120.650 120.400 0.109 0.000 2.147 883 K HA -0.028 4.292 4.320 0.000 0.000 0.205 883 K C 1.988 178.687 176.600 0.165 0.000 1.049 883 K CA 1.296 57.656 56.287 0.122 0.000 0.936 883 K CB -0.031 32.525 32.500 0.093 0.000 0.722 883 K HN -0.020 nan 8.250 nan 0.000 0.446 884 S N 0.561 116.376 115.700 0.193 0.000 2.561 884 S HA -0.007 4.463 4.470 0.000 0.000 0.225 884 S C 0.450 175.179 174.600 0.215 0.000 0.977 884 S CA 0.465 58.812 58.200 0.245 0.000 0.926 884 S CB 0.131 63.524 63.200 0.322 0.000 0.769 884 S HN 0.233 nan 8.310 nan 0.000 0.533 885 T N 2.764 117.384 114.554 0.111 0.000 2.761 885 T HA 0.347 4.697 4.350 0.000 0.000 0.296 885 T C 0.944 175.629 174.700 -0.024 0.000 0.934 885 T CA -0.223 61.790 62.100 -0.145 0.000 1.091 885 T CB 0.713 69.497 68.868 -0.140 0.000 0.896 885 T HN 0.332 nan 8.240 nan 0.000 0.515 886 I N 1.410 121.838 120.570 -0.237 0.000 4.240 886 I HA 0.558 4.728 4.170 0.000 0.000 0.331 886 I C -0.154 175.766 176.117 -0.328 0.000 1.381 886 I CA 0.075 61.085 61.300 -0.483 0.000 1.136 886 I CB 0.500 38.035 38.000 -0.775 0.000 1.137 886 I HN 0.363 nan 8.210 nan 0.000 0.411 887 L N 1.576 122.655 121.223 -0.240 0.000 2.588 887 L HA 0.552 4.892 4.340 0.000 0.000 0.263 887 L C -2.062 174.713 176.870 -0.159 0.000 0.935 887 L CA -0.448 54.307 54.840 -0.141 0.000 0.891 887 L CB 1.975 43.938 42.059 -0.161 0.000 1.318 887 L HN 0.212 nan 8.230 nan 0.000 0.409 888 N N 4.735 123.422 118.700 -0.022 0.000 2.655 888 N HA 0.393 5.133 4.740 0.000 0.000 0.277 888 N C -1.808 173.763 175.510 0.103 0.000 1.177 888 N CA -0.369 52.684 53.050 0.005 0.000 0.882 888 N CB 1.373 39.858 38.487 -0.003 0.000 1.481 888 N HN 0.483 nan 8.380 nan 0.000 0.547 889 L N 1.599 122.924 121.223 0.170 0.000 2.292 889 L HA 0.527 4.867 4.340 0.000 0.000 0.284 889 L C -0.198 176.775 176.870 0.172 0.000 1.065 889 L CA -0.580 54.375 54.840 0.192 0.000 0.806 889 L CB 1.112 43.325 42.059 0.256 0.000 1.175 889 L HN 0.457 nan 8.230 nan 0.000 0.431 890 D N 2.758 123.241 120.400 0.138 0.000 2.879 890 D HA 0.415 5.055 4.640 0.000 0.000 0.236 890 D C -0.830 175.532 176.300 0.103 0.000 1.171 890 D CA -0.445 53.627 54.000 0.121 0.000 0.868 890 D CB 2.063 42.925 40.800 0.104 0.000 1.598 890 D HN 0.092 nan 8.370 nan 0.000 0.497 891 I N 2.889 123.515 120.570 0.095 0.000 2.325 891 I HA 0.364 4.534 4.170 0.000 0.000 0.291 891 I C 0.204 176.363 176.117 0.071 0.000 1.019 891 I CA -0.271 61.079 61.300 0.083 0.000 1.302 891 I CB 0.049 38.098 38.000 0.082 0.000 1.401 891 I HN 0.366 nan 8.210 nan 0.000 0.485 892 N N 6.072 124.812 118.700 0.065 0.000 2.478 892 N HA 0.195 4.935 4.740 0.000 0.000 0.291 892 N C -0.493 175.048 175.510 0.051 0.000 1.090 892 N CA -0.323 52.762 53.050 0.057 0.000 0.911 892 N CB 0.894 39.413 38.487 0.054 0.000 1.546 892 N HN 0.488 nan 8.380 nan 0.000 0.500 893 N N 2.598 121.327 118.700 0.048 0.000 2.776 893 N HA -0.160 4.580 4.740 0.000 0.000 0.250 893 N C -0.957 174.578 175.510 0.042 0.000 1.112 893 N CA 1.411 54.485 53.050 0.041 0.000 0.733 893 N CB -0.970 37.538 38.487 0.036 0.000 1.097 893 N HN 0.873 nan 8.380 nan 0.000 0.558 894 D N -2.018 118.412 120.400 0.049 0.000 3.076 894 D HA -0.186 4.454 4.640 0.000 0.000 0.218 894 D C -0.175 176.157 176.300 0.053 0.000 1.156 894 D CA 0.950 54.980 54.000 0.051 0.000 0.921 894 D CB -1.020 39.805 40.800 0.043 0.000 1.113 894 D HN 0.476 nan 8.370 nan 0.000 0.418 895 I N 1.214 121.817 120.570 0.055 0.000 2.404 895 I HA 0.352 4.523 4.170 0.000 0.000 0.293 895 I C 1.011 177.169 176.117 0.069 0.000 0.992 895 I CA -0.718 60.617 61.300 0.057 0.000 1.149 895 I CB 1.602 39.632 38.000 0.049 0.000 1.315 895 I HN -0.166 nan 8.210 nan 0.000 0.446 896 I N 4.489 125.105 120.570 0.077 0.000 2.395 896 I HA 0.264 4.434 4.170 0.000 0.000 0.289 896 I C 0.571 176.742 176.117 0.091 0.000 1.023 896 I CA 0.323 61.678 61.300 0.090 0.000 1.350 896 I CB 1.315 39.374 38.000 0.098 0.000 1.409 896 I HN 0.528 nan 8.210 nan 0.000 0.507 897 S N 3.516 119.275 115.700 0.098 0.000 2.607 897 S HA 0.283 4.753 4.470 0.000 0.000 0.273 897 S C -1.559 173.107 174.600 0.109 0.000 1.148 897 S CA -0.701 57.557 58.200 0.096 0.000 0.833 897 S CB 1.898 65.145 63.200 0.079 0.000 1.130 897 S HN 0.669 nan 8.310 nan 0.000 0.470 898 D N 1.665 122.130 120.400 0.109 0.000 2.373 898 D HA 0.338 4.978 4.640 0.000 0.000 0.227 898 D C 0.876 177.235 176.300 0.099 0.000 1.091 898 D CA -0.547 53.522 54.000 0.116 0.000 0.840 898 D CB 0.314 41.191 40.800 0.129 0.000 1.060 898 D HN 0.524 nan 8.370 nan 0.000 0.502 899 I N 1.170 121.795 120.570 0.090 0.000 3.855 899 I HA 0.133 4.303 4.170 0.000 0.000 0.327 899 I C 1.285 177.446 176.117 0.073 0.000 1.359 899 I CA -0.292 61.051 61.300 0.073 0.000 1.142 899 I CB -0.027 38.012 38.000 0.065 0.000 1.041 899 I HN 0.208 nan 8.210 nan 0.000 0.403 900 S N 1.235 116.998 115.700 0.105 0.000 2.399 900 S HA 0.047 4.517 4.470 0.000 0.000 0.231 900 S C 1.804 176.485 174.600 0.135 0.000 1.022 900 S CA 1.225 59.516 58.200 0.151 0.000 0.983 900 S CB -0.407 62.939 63.200 0.243 0.000 0.803 900 S HN 0.825 nan 8.310 nan 0.000 0.480 901 G N -0.027 108.814 108.800 0.069 0.000 2.316 901 G HA2 -0.202 3.758 3.960 0.000 0.000 0.203 901 G HA3 -0.202 3.758 3.960 0.000 0.000 0.203 901 G C 0.547 175.344 174.900 -0.171 0.000 0.999 901 G CA 0.081 45.125 45.100 -0.094 0.000 0.649 901 G HN 0.506 nan 8.290 nan 0.000 0.489 902 F N 1.572 121.535 119.950 0.022 0.000 2.456 902 F HA 0.259 4.786 4.527 0.000 0.000 0.298 902 F C 1.437 177.262 175.800 0.042 0.000 1.104 902 F CA 0.928 58.947 58.000 0.032 0.000 1.435 902 F CB 0.064 39.082 39.000 0.030 0.000 1.078 902 F HN 0.138 nan 8.300 nan 0.000 0.546 903 N N 1.028 119.839 118.700 0.185 0.000 2.699 903 N HA -0.180 4.560 4.740 0.000 0.000 0.257 903 N C -0.500 175.098 175.510 0.147 0.000 1.077 903 N CA 0.478 53.607 53.050 0.131 0.000 0.702 903 N CB -1.257 37.282 38.487 0.086 0.000 0.886 903 N HN 0.052 nan 8.380 nan 0.000 0.549 904 S N 0.282 116.076 115.700 0.158 0.000 2.565 904 S HA 0.219 4.689 4.470 0.000 0.000 0.274 904 S C 0.650 175.335 174.600 0.141 0.000 1.309 904 S CA -0.391 57.904 58.200 0.158 0.000 1.043 904 S CB 1.576 64.869 63.200 0.155 0.000 0.939 904 S HN 0.392 nan 8.310 nan 0.000 0.504 905 S N 2.552 118.343 115.700 0.151 0.000 2.510 905 S HA 0.272 4.742 4.470 0.000 0.000 0.279 905 S C -0.514 174.166 174.600 0.134 0.000 1.284 905 S CA -0.544 57.728 58.200 0.120 0.000 1.059 905 S CB -0.100 63.154 63.200 0.090 0.000 0.901 905 S HN 0.454 nan 8.310 nan 0.000 0.491 906 V N 7.327 127.306 119.914 0.109 0.000 2.409 906 V HA 0.459 4.579 4.120 0.000 0.000 0.291 906 V C -0.306 175.851 176.094 0.104 0.000 1.020 906 V CA -0.841 61.526 62.300 0.111 0.000 0.848 906 V CB 1.379 33.267 31.823 0.109 0.000 0.990 906 V HN 0.743 nan 8.190 nan 0.000 0.430 907 I N 3.732 124.377 120.570 0.126 0.000 2.460 907 I HA 0.568 4.738 4.170 0.000 0.000 0.298 907 I C 0.267 176.501 176.117 0.195 0.000 0.989 907 I CA -0.256 61.134 61.300 0.151 0.000 1.173 907 I CB 1.642 39.772 38.000 0.217 0.000 1.338 907 I HN 0.487 nan 8.210 nan 0.000 0.456 908 T N 5.438 120.102 114.554 0.184 0.000 2.840 908 T HA 0.497 4.847 4.350 0.000 0.000 0.287 908 T C -0.507 174.343 174.700 0.250 0.000 0.991 908 T CA -0.388 61.839 62.100 0.212 0.000 0.964 908 T CB 0.886 69.826 68.868 0.120 0.000 0.954 908 T HN 0.134 nan 8.240 nan 0.000 0.438 909 Y N 2.792 123.102 120.300 0.017 0.000 2.316 909 Y HA 0.291 4.841 4.550 -0.000 0.000 0.324 909 Y C -1.337 174.573 175.900 0.016 0.000 1.267 909 Y CA -2.174 55.934 58.100 0.013 0.000 1.311 909 Y CB 0.104 38.568 38.460 0.008 0.000 1.267 909 Y HN 0.451 nan 8.280 nan 0.000 0.516 910 P HA -0.224 nan 4.420 nan 0.000 0.218 910 P C 0.754 178.100 177.300 0.077 0.000 1.154 910 P CA 2.019 65.156 63.100 0.061 0.000 0.872 910 P CB 0.313 32.032 31.700 0.031 0.000 0.790 911 D N -1.611 118.847 120.400 0.096 0.000 2.325 911 D HA 0.167 4.807 4.640 0.000 0.000 0.225 911 D C 0.064 176.413 176.300 0.081 0.000 1.096 911 D CA -0.088 53.958 54.000 0.076 0.000 0.844 911 D CB -0.438 40.398 40.800 0.060 0.000 0.925 911 D HN 0.001 nan 8.370 nan 0.000 0.513 912 A N 0.914 123.793 122.820 0.098 0.000 2.350 912 A HA 0.334 4.654 4.320 0.000 0.000 0.293 912 A C 0.249 177.896 177.584 0.104 0.000 1.231 912 A CA -0.203 51.891 52.037 0.094 0.000 0.883 912 A CB 0.193 19.255 19.000 0.103 0.000 1.133 912 A HN 0.120 nan 8.150 nan 0.000 0.533 913 Q N 1.391 121.270 119.800 0.131 0.000 2.215 913 Q HA 0.680 5.020 4.340 0.000 0.000 0.256 913 Q C -0.998 175.091 176.000 0.149 0.000 0.972 913 Q CA -0.553 55.330 55.803 0.133 0.000 0.889 913 Q CB 2.002 30.829 28.738 0.149 0.000 1.281 913 Q HN 0.716 nan 8.270 nan 0.000 0.456 914 L N 1.980 123.266 121.223 0.104 0.000 2.307 914 L HA 0.658 4.998 4.340 0.000 0.000 0.284 914 L C -0.357 176.555 176.870 0.071 0.000 1.023 914 L CA -0.962 53.941 54.840 0.105 0.000 0.810 914 L CB 1.271 43.383 42.059 0.087 0.000 1.231 914 L HN 0.464 nan 8.230 nan 0.000 0.423 915 V N 1.066 121.036 119.914 0.093 0.000 3.126 915 V HA 0.726 4.846 4.120 0.000 0.000 0.314 915 V C -2.639 173.524 176.094 0.114 0.000 1.138 915 V CA -2.292 60.042 62.300 0.058 0.000 1.034 915 V CB 1.794 33.609 31.823 -0.012 0.000 1.075 915 V HN 0.516 nan 8.190 nan 0.000 0.442 916 P HA 0.534 nan 4.420 nan 0.000 0.274 916 P C -0.178 177.181 177.300 0.099 0.000 1.231 916 P CA 0.448 63.595 63.100 0.079 0.000 0.790 916 P CB 1.495 33.236 31.700 0.068 0.000 0.951 917 G N 0.807 109.535 108.800 -0.119 0.000 2.947 917 G HA2 0.307 4.267 3.960 0.000 0.000 0.293 917 G HA3 0.307 4.267 3.960 0.000 0.000 0.293 917 G C 0.657 175.112 174.900 -0.743 0.000 1.243 917 G CA -0.507 44.306 45.100 -0.477 0.000 0.802 917 G HN 0.269 nan 8.290 nan 0.000 0.560 918 I N 0.354 120.221 120.570 -1.171 0.000 2.208 918 I HA -0.057 4.113 4.170 0.000 0.000 0.245 918 I C 0.706 176.475 176.117 -0.579 0.000 1.097 918 I CA 1.466 62.133 61.300 -1.055 0.000 1.363 918 I CB -0.338 36.642 38.000 -1.700 0.000 1.051 918 I HN 0.425 nan 8.210 nan 0.000 0.413 919 N N 0.085 118.547 118.700 -0.397 0.000 2.732 919 N HA 0.367 5.107 4.740 0.000 0.000 0.235 919 N C -0.073 175.379 175.510 -0.095 0.000 1.466 919 N CA 0.723 53.667 53.050 -0.176 0.000 0.751 919 N CB 0.559 38.994 38.487 -0.087 0.000 1.317 919 N HN 0.417 nan 8.380 nan 0.000 0.525 920 G N 1.310 110.056 108.800 -0.090 0.000 2.436 920 G HA2 -0.093 3.867 3.960 0.000 0.000 0.205 920 G HA3 -0.093 3.867 3.960 0.000 0.000 0.205 920 G C -1.346 173.533 174.900 -0.034 0.000 1.188 920 G CA -0.684 44.408 45.100 -0.014 0.000 1.267 920 G HN 0.328 nan 8.290 nan 0.000 0.536 921 K N 0.460 120.859 120.400 -0.002 0.000 2.328 921 K HA 0.785 5.105 4.320 0.000 0.000 0.246 921 K C -0.031 176.590 176.600 0.036 0.000 0.955 921 K CA -0.062 56.241 56.287 0.028 0.000 0.817 921 K CB 2.236 34.775 32.500 0.065 0.000 1.208 921 K HN 0.996 nan 8.250 nan 0.000 0.432 922 A N 1.989 124.868 122.820 0.098 0.000 2.387 922 A HA 0.688 5.008 4.320 0.000 0.000 0.298 922 A C -0.740 176.982 177.584 0.231 0.000 1.165 922 A CA -0.866 51.279 52.037 0.179 0.000 0.814 922 A CB 0.574 19.759 19.000 0.308 0.000 1.357 922 A HN 0.667 nan 8.150 nan 0.000 0.443 923 I N 1.296 122.023 120.570 0.263 0.000 2.365 923 I HA 0.242 4.412 4.170 0.000 0.000 0.291 923 I C 0.066 176.359 176.117 0.293 0.000 1.004 923 I CA -0.042 61.395 61.300 0.228 0.000 1.311 923 I CB 0.879 38.979 38.000 0.168 0.000 1.401 923 I HN 0.654 nan 8.210 nan 0.000 0.491 924 H N 7.527 126.676 119.070 0.131 0.000 2.587 924 H HA 0.494 5.050 4.556 -0.000 0.000 0.325 924 H C -1.499 173.879 175.328 0.083 0.000 1.012 924 H CA -0.732 55.385 56.048 0.114 0.000 1.213 924 H CB 1.211 31.018 29.762 0.076 0.000 1.431 924 H HN 0.474 nan 8.280 nan 0.000 0.492 925 L N 6.237 127.367 121.223 -0.156 0.000 2.296 925 L HA 0.349 4.689 4.340 0.000 0.000 0.286 925 L C 0.335 177.081 176.870 -0.206 0.000 1.023 925 L CA -1.015 53.752 54.840 -0.121 0.000 0.812 925 L CB 1.641 43.664 42.059 -0.059 0.000 1.223 925 L HN 0.331 nan 8.230 nan 0.000 0.421 926 V N -0.477 119.362 119.914 -0.124 0.000 3.211 926 V HA 0.468 4.588 4.120 0.000 0.000 0.319 926 V C 0.108 176.163 176.094 -0.065 0.000 1.096 926 V CA -0.919 61.332 62.300 -0.082 0.000 1.029 926 V CB 1.656 33.457 31.823 -0.035 0.000 1.137 926 V HN 0.731 nan 8.190 nan 0.000 0.453 927 N N 3.087 121.745 118.700 -0.070 0.000 2.895 927 N HA 0.247 4.987 4.740 0.000 0.000 0.277 927 N C -0.720 174.747 175.510 -0.071 0.000 1.185 927 N CA 0.096 53.086 53.050 -0.099 0.000 1.106 927 N CB -1.188 37.203 38.487 -0.162 0.000 1.422 927 N HN 1.079 nan 8.380 nan 0.000 0.521 928 N N -1.164 117.504 118.700 -0.052 0.000 2.745 928 N HA 0.143 4.883 4.740 0.000 0.000 0.256 928 N C 0.067 175.560 175.510 -0.028 0.000 1.268 928 N CA -0.679 52.351 53.050 -0.034 0.000 0.887 928 N CB 0.788 39.266 38.487 -0.016 0.000 1.575 928 N HN -0.020 nan 8.380 nan 0.000 0.496 929 E N -0.181 120.009 120.200 -0.017 0.000 2.209 929 E HA -0.183 4.168 4.350 0.000 0.000 0.196 929 E C 0.667 177.276 176.600 0.015 0.000 0.993 929 E CA 1.339 57.731 56.400 -0.013 0.000 0.819 929 E CB -0.041 29.661 29.700 0.004 0.000 0.745 929 E HN 0.586 nan 8.360 nan 0.000 0.477 930 S N 0.113 115.845 115.700 0.053 0.000 2.489 930 S HA -0.022 4.448 4.470 0.000 0.000 0.228 930 S C 1.040 175.709 174.600 0.116 0.000 0.995 930 S CA 0.042 58.316 58.200 0.124 0.000 0.934 930 S CB 0.132 63.387 63.200 0.090 0.000 0.771 930 S HN 0.009 nan 8.310 nan 0.000 0.522 931 S N 1.700 117.421 115.700 0.034 0.000 2.592 931 S HA 0.400 4.870 4.470 0.000 0.000 0.305 931 S C -0.665 173.905 174.600 -0.050 0.000 1.118 931 S CA -0.522 57.689 58.200 0.017 0.000 1.075 931 S CB -0.040 63.157 63.200 -0.004 0.000 1.107 931 S HN 0.584 nan 8.310 nan 0.000 0.503 932 E N 3.116 123.272 120.200 -0.073 0.000 2.372 932 E HA 0.539 4.889 4.350 0.000 0.000 0.279 932 E C -1.878 174.637 176.600 -0.141 0.000 0.946 932 E CA -0.734 55.531 56.400 -0.224 0.000 0.769 932 E CB 1.734 31.110 29.700 -0.540 0.000 1.230 932 E HN 0.352 nan 8.360 nan 0.000 0.442 933 V N 4.821 124.665 119.914 -0.118 0.000 2.531 933 V HA 0.496 4.616 4.120 0.000 0.000 0.301 933 V C -0.410 175.648 176.094 -0.060 0.000 1.034 933 V CA -0.593 61.696 62.300 -0.020 0.000 0.865 933 V CB 1.609 33.433 31.823 0.000 0.000 0.995 933 V HN 0.598 nan 8.190 nan 0.000 0.424 934 I N 4.705 125.285 120.570 0.016 0.000 2.389 934 I HA 0.480 4.650 4.170 0.000 0.000 0.288 934 I C -0.655 175.501 176.117 0.066 0.000 0.999 934 I CA -0.868 60.439 61.300 0.012 0.000 1.129 934 I CB 2.144 40.173 38.000 0.049 0.000 1.288 934 I HN 0.267 nan 8.210 nan 0.000 0.444 935 V N 5.606 125.546 119.914 0.044 0.000 2.370 935 V HA 0.233 4.353 4.120 0.000 0.000 0.279 935 V C -0.023 176.136 176.094 0.110 0.000 1.029 935 V CA -0.547 61.812 62.300 0.098 0.000 0.870 935 V CB 1.121 33.011 31.823 0.111 0.000 0.984 935 V HN 0.591 nan 8.190 nan 0.000 0.451 936 H N 5.373 124.481 119.070 0.062 0.000 2.641 936 H HA 0.376 4.933 4.556 0.000 0.000 0.295 936 H C -0.009 175.363 175.328 0.072 0.000 1.070 936 H CA -0.707 55.375 56.048 0.056 0.000 1.257 936 H CB 0.812 30.605 29.762 0.051 0.000 1.393 936 H HN 0.605 nan 8.280 nan 0.000 0.464 937 K N 2.468 122.877 120.400 0.015 0.000 2.485 937 K HA 0.218 4.538 4.320 0.000 0.000 0.277 937 K C 0.256 176.955 176.600 0.165 0.000 0.990 937 K CA -0.049 56.290 56.287 0.086 0.000 0.994 937 K CB 0.584 33.110 32.500 0.043 0.000 0.906 937 K HN 0.598 nan 8.250 nan 0.000 0.488 938 A N 3.216 126.132 122.820 0.161 0.000 2.425 938 A HA 0.032 4.352 4.320 0.000 0.000 0.242 938 A C 1.119 178.790 177.584 0.146 0.000 1.077 938 A CA -0.158 51.984 52.037 0.176 0.000 0.781 938 A CB 0.098 19.223 19.000 0.209 0.000 1.020 938 A HN 0.910 nan 8.150 nan 0.000 0.494 939 M N 0.492 120.176 119.600 0.139 0.000 2.260 939 M HA -0.163 4.317 4.480 0.000 0.000 0.261 939 M C 0.561 176.923 176.300 0.103 0.000 1.066 939 M CA 1.715 57.081 55.300 0.110 0.000 1.082 939 M CB -0.372 32.286 32.600 0.096 0.000 1.388 939 M HN 0.758 nan 8.290 nan 0.000 0.419 940 D N 0.061 120.542 120.400 0.135 0.000 2.346 940 D HA 0.069 4.709 4.640 0.000 0.000 0.206 940 D C 1.184 177.550 176.300 0.111 0.000 1.001 940 D CA 0.409 54.496 54.000 0.146 0.000 0.871 940 D CB -0.017 40.916 40.800 0.222 0.000 0.943 940 D HN 0.380 nan 8.370 nan 0.000 0.518 941 I N 2.509 123.121 120.570 0.070 0.000 2.848 941 I HA -0.074 4.096 4.170 0.000 0.000 0.274 941 I C -0.393 175.759 176.117 0.058 0.000 1.049 941 I CA 0.295 61.554 61.300 -0.067 0.000 2.038 941 I CB -0.618 37.317 38.000 -0.108 0.000 1.403 941 I HN -0.242 nan 8.210 nan 0.000 0.847 942 E N 3.400 123.637 120.200 0.061 0.000 2.001 942 E HA 0.019 4.370 4.350 0.000 0.000 0.279 942 E C -0.331 176.321 176.600 0.087 0.000 1.045 942 E CA -0.232 56.204 56.400 0.061 0.000 0.833 942 E CB 0.530 30.244 29.700 0.023 0.000 1.077 942 E HN 0.569 nan 8.360 nan 0.000 0.397 943 Y N 1.129 121.381 120.300 -0.079 0.000 2.445 943 Y HA 0.319 4.869 4.550 0.000 0.000 0.247 943 Y C 0.275 176.103 175.900 -0.119 0.000 1.129 943 Y CA -0.581 57.473 58.100 -0.076 0.000 1.251 943 Y CB 0.398 38.815 38.460 -0.073 0.000 1.176 943 Y HN 0.171 nan 8.280 nan 0.000 0.522 944 N N 2.214 120.485 118.700 -0.715 0.000 2.610 944 N HA 0.126 4.866 4.740 0.000 0.000 0.309 944 N C -1.182 174.174 175.510 -0.256 0.000 1.536 944 N CA -0.041 52.654 53.050 -0.592 0.000 0.954 944 N CB 0.511 38.496 38.487 -0.836 0.000 1.310 944 N HN 0.361 nan 8.380 nan 0.000 0.502 945 D N 0.577 120.903 120.400 -0.123 0.000 2.376 945 D HA 0.178 4.818 4.640 0.000 0.000 0.268 945 D C 1.250 177.573 176.300 0.037 0.000 1.252 945 D CA -0.072 53.904 54.000 -0.040 0.000 1.041 945 D CB 0.538 41.335 40.800 -0.006 0.000 1.109 945 D HN -0.002 nan 8.370 nan 0.000 0.552 946 M N 0.828 120.467 119.600 0.064 0.000 2.474 946 M HA 0.027 4.507 4.480 0.000 0.000 0.352 946 M C -0.312 176.160 176.300 0.286 0.000 1.690 946 M CA 0.374 55.756 55.300 0.137 0.000 1.112 946 M CB -1.260 31.353 32.600 0.021 0.000 2.062 946 M HN 0.392 nan 8.290 nan 0.000 0.461 947 F N 0.679 120.637 119.950 0.013 0.000 3.093 947 F HA -0.273 4.254 4.527 0.000 0.000 0.287 947 F C 0.193 176.024 175.800 0.052 0.000 0.882 947 F CA 0.144 58.166 58.000 0.037 0.000 1.063 947 F CB -2.246 36.774 39.000 0.033 0.000 1.097 947 F HN 0.565 nan 8.300 nan 0.000 0.604 948 N N 1.738 120.532 118.700 0.158 0.000 2.419 948 N HA 0.170 4.910 4.740 0.000 0.000 0.264 948 N C 0.242 175.852 175.510 0.168 0.000 1.031 948 N CA -0.246 52.879 53.050 0.125 0.000 0.951 948 N CB 0.468 38.997 38.487 0.070 0.000 1.101 948 N HN 0.073 nan 8.380 nan 0.000 0.488 949 N N 1.673 120.480 118.700 0.177 0.000 2.479 949 N HA 0.227 4.967 4.740 0.000 0.000 0.257 949 N C -0.500 175.233 175.510 0.372 0.000 1.232 949 N CA 0.301 53.479 53.050 0.215 0.000 0.920 949 N CB 0.219 38.772 38.487 0.111 0.000 1.105 949 N HN 0.443 nan 8.380 nan 0.000 0.444 950 F N -2.135 117.861 119.950 0.077 0.000 2.693 950 F HA 0.621 5.148 4.527 0.000 0.000 0.309 950 F C -1.060 174.763 175.800 0.039 0.000 1.129 950 F CA -0.880 57.195 58.000 0.125 0.000 0.948 950 F CB 0.908 40.090 39.000 0.303 0.000 1.315 950 F HN 0.153 nan 8.300 nan 0.000 0.447 951 T N 2.193 116.749 114.554 0.004 0.000 2.893 951 T HA 0.717 5.067 4.350 0.000 0.000 0.293 951 T C -1.473 173.184 174.700 -0.071 0.000 1.027 951 T CA -0.702 61.277 62.100 -0.201 0.000 0.988 951 T CB 2.022 70.787 68.868 -0.173 0.000 1.043 951 T HN 0.637 nan 8.240 nan 0.000 0.461 952 V N 3.021 122.750 119.914 -0.308 0.000 2.531 952 V HA 0.756 4.876 4.120 0.000 0.000 0.301 952 V C -0.288 175.650 176.094 -0.260 0.000 1.034 952 V CA -0.721 61.414 62.300 -0.275 0.000 0.865 952 V CB 1.868 33.439 31.823 -0.421 0.000 0.995 952 V HN 1.100 nan 8.190 nan 0.000 0.424 953 S N 4.283 119.897 115.700 -0.142 0.000 2.599 953 S HA 1.019 5.489 4.470 0.000 0.000 0.287 953 S C -0.953 173.662 174.600 0.025 0.000 1.105 953 S CA -0.743 57.292 58.200 -0.275 0.000 0.899 953 S CB 2.562 65.627 63.200 -0.225 0.000 1.100 953 S HN 1.240 nan 8.310 nan 0.000 0.482 954 F N -3.551 116.253 119.950 -0.244 0.000 2.765 954 F HA 0.628 5.155 4.527 0.000 0.000 0.313 954 F C -2.296 173.505 175.800 0.002 0.000 1.136 954 F CA -1.786 56.249 58.000 0.059 0.000 0.952 954 F CB 0.030 39.195 39.000 0.275 0.000 1.268 954 F HN 0.661 nan 8.300 nan 0.000 0.441 955 W N 3.092 124.630 121.300 0.397 0.000 2.315 955 W HA 0.703 5.363 4.660 0.000 0.000 0.316 955 W C -0.705 176.228 176.519 0.691 0.000 1.211 955 W CA -0.460 57.152 57.345 0.446 0.000 1.201 955 W CB 1.627 31.270 29.460 0.305 0.000 1.184 955 W HN 0.636 nan 8.180 nan 0.000 0.544 956 L N 3.410 125.089 121.223 0.760 0.000 2.323 956 L HA 0.702 5.042 4.340 0.000 0.000 0.265 956 L C -0.866 176.164 176.870 0.267 0.000 1.012 956 L CA -1.392 53.778 54.840 0.551 0.000 0.820 956 L CB 1.892 44.191 42.059 0.401 0.000 1.334 956 L HN 0.492 nan 8.230 nan 0.000 0.427 957 R N 3.091 123.553 120.500 -0.063 0.000 2.659 957 R HA 0.620 4.960 4.340 0.000 0.000 0.290 957 R C -2.112 174.087 176.300 -0.168 0.000 1.253 957 R CA -0.488 55.404 56.100 -0.346 0.000 1.010 957 R CB 1.255 30.852 30.300 -1.171 0.000 1.236 957 R HN 0.609 nan 8.270 nan 0.000 0.413 958 V N 2.153 122.021 119.914 -0.076 0.000 2.495 958 V HA 0.755 4.875 4.120 0.000 0.000 0.298 958 V C -2.390 173.633 176.094 -0.118 0.000 1.031 958 V CA -2.363 59.888 62.300 -0.083 0.000 0.871 958 V CB 1.496 33.313 31.823 -0.010 0.000 0.988 958 V HN 0.598 nan 8.190 nan 0.000 0.432 959 P HA 0.056 nan 4.420 nan 0.000 0.270 959 P C -0.664 176.539 177.300 -0.162 0.000 1.227 959 P CA -0.190 62.785 63.100 -0.209 0.000 0.788 959 P CB 0.722 32.190 31.700 -0.387 0.000 0.926 960 K N 1.121 121.417 120.400 -0.173 0.000 2.349 960 K HA 0.199 4.519 4.320 0.000 0.000 0.288 960 K C -0.568 175.903 176.600 -0.216 0.000 1.058 960 K CA -0.476 55.650 56.287 -0.269 0.000 0.953 960 K CB 0.237 32.381 32.500 -0.594 0.000 0.997 960 K HN 0.165 nan 8.250 nan 0.000 0.477 961 V N 4.364 124.193 119.914 -0.142 0.000 2.555 961 V HA -0.020 4.100 4.120 0.000 0.000 0.286 961 V C 0.557 176.611 176.094 -0.067 0.000 1.044 961 V CA -0.288 61.987 62.300 -0.042 0.000 1.026 961 V CB 1.001 32.839 31.823 0.026 0.000 0.981 961 V HN 0.943 nan 8.190 nan 0.000 0.480 962 S N 4.563 120.256 115.700 -0.011 0.000 2.592 962 S HA 0.428 4.898 4.470 0.000 0.000 0.271 962 S C 1.384 175.953 174.600 -0.052 0.000 1.326 962 S CA -0.038 58.108 58.200 -0.091 0.000 1.024 962 S CB 1.501 64.613 63.200 -0.148 0.000 0.921 962 S HN 1.059 nan 8.310 nan 0.000 0.527 963 A N 2.895 125.680 122.820 -0.059 0.000 1.917 963 A HA -0.084 4.236 4.320 0.000 0.000 0.219 963 A C 2.416 179.987 177.584 -0.021 0.000 1.182 963 A CA 2.248 54.291 52.037 0.010 0.000 0.633 963 A CB -1.693 17.348 19.000 0.069 0.000 0.819 963 A HN 0.902 nan 8.150 nan 0.000 0.448 964 S N -0.957 114.683 115.700 -0.100 0.000 2.359 964 S HA -0.204 4.266 4.470 0.000 0.000 0.224 964 S C 1.723 176.257 174.600 -0.110 0.000 1.035 964 S CA 1.688 59.801 58.200 -0.145 0.000 1.018 964 S CB -0.591 62.462 63.200 -0.246 0.000 0.876 964 S HN 0.836 nan 8.310 nan 0.000 0.448 965 H N 0.242 119.317 119.070 0.007 0.000 2.462 965 H HA 0.186 4.742 4.556 -0.000 0.000 0.292 965 H C 1.901 177.267 175.328 0.064 0.000 1.049 965 H CA 0.516 56.620 56.048 0.092 0.000 1.334 965 H CB -0.024 29.877 29.762 0.232 0.000 1.404 965 H HN 0.199 nan 8.280 nan 0.000 0.544 966 L N 0.549 121.855 121.223 0.138 0.000 2.376 966 L HA -0.122 4.218 4.340 0.000 0.000 0.219 966 L C 1.747 178.642 176.870 0.042 0.000 1.133 966 L CA 1.033 55.928 54.840 0.093 0.000 0.816 966 L CB -0.014 42.087 42.059 0.069 0.000 0.933 966 L HN 0.450 nan 8.230 nan 0.000 0.449 967 E N -0.761 119.434 120.200 -0.007 0.000 2.045 967 E HA -0.147 4.203 4.350 0.000 0.000 0.190 967 E C 2.030 178.564 176.600 -0.110 0.000 0.968 967 E CA 0.517 56.891 56.400 -0.043 0.000 0.813 967 E CB 0.030 29.700 29.700 -0.051 0.000 0.780 967 E HN 0.509 nan 8.360 nan 0.000 0.455 968 Q N -0.111 119.540 119.800 -0.248 0.000 2.084 968 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 968 Q C 0.718 176.434 176.000 -0.474 0.000 0.978 968 Q CA 1.408 56.913 55.803 -0.498 0.000 0.844 968 Q CB 0.041 28.211 28.738 -0.947 0.000 0.898 968 Q HN 0.351 nan 8.270 nan 0.000 0.426 969 Y N -1.775 118.559 120.300 0.056 0.000 2.696 969 Y HA 0.363 4.913 4.550 -0.000 0.000 0.260 969 Y C 1.577 177.508 175.900 0.052 0.000 1.165 969 Y CA -0.293 57.829 58.100 0.037 0.000 1.189 969 Y CB 0.014 38.470 38.460 -0.007 0.000 1.180 969 Y HN 0.031 nan 8.280 nan 0.000 0.538 970 G N 0.223 109.103 108.800 0.134 0.000 2.443 970 G HA2 -0.200 3.760 3.960 0.000 0.000 0.219 970 G HA3 -0.200 3.760 3.960 0.000 0.000 0.219 970 G C 1.543 176.501 174.900 0.096 0.000 1.131 970 G CA 1.562 46.727 45.100 0.108 0.000 0.775 970 G HN 0.436 nan 8.290 nan 0.000 0.547 971 T N -2.519 112.090 114.554 0.092 0.000 3.086 971 T HA 0.153 4.503 4.350 0.000 0.000 0.250 971 T C 0.751 175.511 174.700 0.100 0.000 1.074 971 T CA -0.369 61.776 62.100 0.077 0.000 0.988 971 T CB -0.097 68.804 68.868 0.054 0.000 0.988 971 T HN 0.253 nan 8.240 nan 0.000 0.530 972 N N 2.134 120.922 118.700 0.147 0.000 2.415 972 N HA 0.036 4.776 4.740 0.000 0.000 0.246 972 N C -0.716 174.916 175.510 0.204 0.000 1.078 972 N CA -0.132 53.018 53.050 0.166 0.000 0.942 972 N CB 0.619 39.222 38.487 0.193 0.000 1.140 972 N HN 0.445 nan 8.380 nan 0.000 0.501 973 E N 4.488 124.771 120.200 0.137 0.000 2.130 973 E HA 0.051 4.402 4.350 0.000 0.000 0.284 973 E C -1.330 175.345 176.600 0.124 0.000 1.018 973 E CA -0.564 55.886 56.400 0.084 0.000 0.817 973 E CB 0.431 30.145 29.700 0.023 0.000 1.078 973 E HN 0.543 nan 8.360 nan 0.000 0.396 974 Y N 1.260 121.556 120.300 -0.007 0.000 2.409 974 Y HA 0.516 5.066 4.550 0.000 0.000 0.343 974 Y C -0.231 175.660 175.900 -0.014 0.000 0.973 974 Y CA -1.326 56.760 58.100 -0.024 0.000 1.064 974 Y CB 1.190 39.619 38.460 -0.051 0.000 1.207 974 Y HN 0.184 nan 8.280 nan 0.000 0.452 975 S N 2.452 118.161 115.700 0.015 0.000 2.601 975 S HA 0.486 4.956 4.470 0.000 0.000 0.271 975 S C 0.668 175.271 174.600 0.004 0.000 1.305 975 S CA -0.259 57.916 58.200 -0.041 0.000 1.022 975 S CB 0.218 63.398 63.200 -0.032 0.000 0.940 975 S HN 0.873 nan 8.310 nan 0.000 0.525 976 I N 0.599 121.153 120.570 -0.027 0.000 4.607 976 I HA 0.540 4.711 4.170 0.000 0.000 0.324 976 I C -0.445 175.625 176.117 -0.077 0.000 1.279 976 I CA -0.110 61.179 61.300 -0.018 0.000 1.286 976 I CB 0.340 38.339 38.000 -0.003 0.000 1.265 976 I HN 0.339 nan 8.210 nan 0.000 0.446 977 I N 1.143 121.677 120.570 -0.061 0.000 2.607 977 I HA 0.551 4.721 4.170 0.000 0.000 0.290 977 I C -0.863 175.227 176.117 -0.045 0.000 1.129 977 I CA -0.636 60.609 61.300 -0.092 0.000 1.042 977 I CB 2.184 40.142 38.000 -0.068 0.000 1.242 977 I HN 0.132 nan 8.210 nan 0.000 0.421 978 S N 2.637 118.195 115.700 -0.237 0.000 2.542 978 S HA 0.388 4.858 4.470 0.000 0.000 0.276 978 S C -0.235 174.003 174.600 -0.603 0.000 1.148 978 S CA -0.314 57.651 58.200 -0.391 0.000 0.886 978 S CB 1.734 64.791 63.200 -0.238 0.000 1.109 978 S HN 0.706 nan 8.310 nan 0.000 0.458 979 S N 3.395 118.570 115.700 -0.874 0.000 2.588 979 S HA 0.464 4.934 4.470 0.000 0.000 0.245 979 S C -0.033 174.289 174.600 -0.463 0.000 1.021 979 S CA -0.573 57.190 58.200 -0.728 0.000 1.006 979 S CB -0.531 62.051 63.200 -1.029 0.000 0.830 979 S HN 0.636 nan 8.310 nan 0.000 0.468 980 M N 2.121 121.504 119.600 -0.362 0.000 2.268 980 M HA 0.461 4.941 4.480 0.000 0.000 0.344 980 M C -0.231 175.942 176.300 -0.212 0.000 1.106 980 M CA -0.626 54.520 55.300 -0.256 0.000 1.010 980 M CB 1.538 34.003 32.600 -0.225 0.000 1.649 980 M HN -0.101 nan 8.290 nan 0.000 0.443 981 K N 3.707 124.001 120.400 -0.177 0.000 2.284 981 K HA 0.260 4.580 4.320 0.000 0.000 0.287 981 K C 0.044 176.542 176.600 -0.169 0.000 1.081 981 K CA 0.166 56.365 56.287 -0.147 0.000 0.910 981 K CB 0.811 33.244 32.500 -0.110 0.000 1.088 981 K HN 0.695 nan 8.250 nan 0.000 0.478 982 K N 1.997 122.260 120.400 -0.229 0.000 2.025 982 K HA -0.016 4.304 4.320 0.000 0.000 0.211 982 K C 0.141 176.522 176.600 -0.364 0.000 1.029 982 K CA 0.943 57.010 56.287 -0.366 0.000 0.948 982 K CB -0.124 32.041 32.500 -0.557 0.000 0.768 982 K HN 0.578 nan 8.250 nan 0.000 0.446 983 H N 0.306 119.353 119.070 -0.038 0.000 2.970 983 H HA 0.208 4.764 4.556 0.000 0.000 0.226 983 H C -0.221 175.091 175.328 -0.026 0.000 1.909 983 H CA -0.351 55.679 56.048 -0.029 0.000 1.388 983 H CB 0.341 30.089 29.762 -0.024 0.000 1.773 983 H HN -0.016 nan 8.280 nan 0.000 0.559 984 S N -0.181 115.528 115.700 0.015 0.000 2.998 984 S HA 0.254 4.724 4.470 0.000 0.000 0.321 984 S C 0.897 175.493 174.600 -0.006 0.000 1.171 984 S CA -0.616 57.588 58.200 0.007 0.000 0.882 984 S CB 0.579 63.771 63.200 -0.012 0.000 1.301 984 S HN 0.280 nan 8.310 nan 0.000 0.629 985 L N 2.038 123.255 121.223 -0.010 0.000 2.093 985 L HA 0.088 4.428 4.340 0.000 0.000 0.208 985 L C 1.504 178.361 176.870 -0.022 0.000 1.085 985 L CA 1.375 56.208 54.840 -0.012 0.000 0.755 985 L CB -0.783 41.269 42.059 -0.011 0.000 0.904 985 L HN 0.649 nan 8.230 nan 0.000 0.435 986 S N -0.887 114.793 115.700 -0.034 0.000 2.671 986 S HA 0.610 5.080 4.470 0.000 0.000 0.272 986 S C 0.198 174.767 174.600 -0.052 0.000 1.174 986 S CA -0.804 57.370 58.200 -0.044 0.000 1.004 986 S CB 0.891 64.058 63.200 -0.055 0.000 1.077 986 S HN 0.100 nan 8.310 nan 0.000 0.553 987 I N -0.890 119.645 120.570 -0.058 0.000 3.449 987 I HA 0.546 4.716 4.170 0.000 0.000 0.294 987 I C 0.967 177.033 176.117 -0.087 0.000 1.163 987 I CA -1.498 59.763 61.300 -0.064 0.000 1.010 987 I CB 0.152 38.122 38.000 -0.050 0.000 1.307 987 I HN 0.786 nan 8.210 nan 0.000 0.518 988 G N 1.279 110.023 108.800 -0.093 0.000 2.178 988 G HA2 0.054 4.014 3.960 0.000 0.000 0.276 988 G HA3 0.054 4.014 3.960 0.000 0.000 0.276 988 G C 0.740 175.572 174.900 -0.112 0.000 1.038 988 G CA -0.037 44.995 45.100 -0.113 0.000 1.177 988 G HN 0.677 nan 8.290 nan 0.000 0.396 989 S N 2.582 118.201 115.700 -0.136 0.000 2.398 989 S HA -0.075 4.395 4.470 0.000 0.000 0.220 989 S C 2.036 176.557 174.600 -0.132 0.000 1.038 989 S CA 1.459 59.577 58.200 -0.137 0.000 1.080 989 S CB -0.275 62.824 63.200 -0.168 0.000 1.039 989 S HN 0.893 nan 8.310 nan 0.000 0.419 990 G N 0.042 108.736 108.800 -0.177 0.000 2.524 990 G HA2 0.390 4.350 3.960 0.000 0.000 0.172 990 G HA3 0.390 4.350 3.960 0.000 0.000 0.172 990 G C -0.587 174.275 174.900 -0.065 0.000 1.636 990 G CA -0.012 45.016 45.100 -0.119 0.000 0.732 990 G HN 0.552 nan 8.290 nan 0.000 0.753 991 W N 1.139 122.350 121.300 -0.148 0.000 2.799 991 W HA 0.768 5.428 4.660 0.000 0.000 0.349 991 W C -0.569 175.796 176.519 -0.256 0.000 1.100 991 W CA -0.648 56.511 57.345 -0.310 0.000 1.174 991 W CB 1.034 30.279 29.460 -0.357 0.000 1.427 991 W HN 0.720 nan 8.180 nan 0.000 0.547 992 S N 0.274 115.967 115.700 -0.013 0.000 2.550 992 S HA 0.696 5.166 4.470 0.000 0.000 0.270 992 S C -1.924 172.821 174.600 0.241 0.000 1.145 992 S CA -0.735 57.519 58.200 0.091 0.000 0.852 992 S CB 1.929 65.093 63.200 -0.059 0.000 1.119 992 S HN 0.490 nan 8.310 nan 0.000 0.465 993 V N 2.577 122.694 119.914 0.338 0.000 2.540 993 V HA 0.887 5.007 4.120 0.000 0.000 0.302 993 V C -0.168 176.003 176.094 0.129 0.000 1.035 993 V CA -0.132 62.392 62.300 0.374 0.000 0.873 993 V CB 1.318 33.411 31.823 0.452 0.000 0.992 993 V HN 1.263 nan 8.190 nan 0.000 0.428 994 S N 4.823 120.560 115.700 0.063 0.000 2.671 994 S HA 0.901 5.371 4.470 0.000 0.000 0.277 994 S C -1.313 173.179 174.600 -0.181 0.000 1.165 994 S CA -0.941 57.188 58.200 -0.118 0.000 0.822 994 S CB 1.954 65.085 63.200 -0.115 0.000 1.150 994 S HN 0.386 nan 8.310 nan 0.000 0.479 995 L N 0.688 121.629 121.223 -0.470 0.000 2.370 995 L HA 0.699 5.039 4.340 0.000 0.000 0.266 995 L C -0.600 176.084 176.870 -0.310 0.000 1.002 995 L CA -0.496 54.115 54.840 -0.382 0.000 0.818 995 L CB 2.199 43.979 42.059 -0.466 0.000 1.325 995 L HN 0.830 nan 8.230 nan 0.000 0.418 996 K N 1.885 122.240 120.400 -0.075 0.000 2.705 996 K HA 0.550 4.870 4.320 0.000 0.000 0.238 996 K C 0.143 176.780 176.600 0.062 0.000 0.996 996 K CA 0.341 56.645 56.287 0.028 0.000 1.007 996 K CB 1.129 33.643 32.500 0.023 0.000 1.206 996 K HN 0.783 nan 8.250 nan 0.000 0.488 997 G N 3.789 112.659 108.800 0.118 0.000 2.531 997 G HA2 -0.347 3.613 3.960 0.000 0.000 0.274 997 G HA3 -0.347 3.613 3.960 0.000 0.000 0.274 997 G C -0.186 174.758 174.900 0.073 0.000 1.159 997 G CA 0.162 45.322 45.100 0.099 0.000 0.969 997 G HN 0.710 nan 8.290 nan 0.000 0.554 998 N N 2.351 121.076 118.700 0.041 0.000 2.920 998 N HA 0.350 5.090 4.740 0.000 0.000 0.310 998 N C -0.792 174.724 175.510 0.010 0.000 1.384 998 N CA -0.224 52.844 53.050 0.030 0.000 1.083 998 N CB 0.194 38.686 38.487 0.008 0.000 1.389 998 N HN 0.371 nan 8.380 nan 0.000 0.521 999 N N 1.180 119.900 118.700 0.033 0.000 2.352 999 N HA 0.257 4.997 4.740 0.000 0.000 0.291 999 N C -1.413 174.157 175.510 0.100 0.000 1.040 999 N CA -0.555 52.517 53.050 0.037 0.000 0.864 999 N CB 2.429 40.922 38.487 0.010 0.000 1.440 999 N HN 0.129 nan 8.380 nan 0.000 0.483 1000 L N 2.787 124.147 121.223 0.229 0.000 2.307 1000 L HA 0.644 4.984 4.340 0.000 0.000 0.282 1000 L C -0.884 176.093 176.870 0.177 0.000 1.051 1000 L CA -0.261 54.697 54.840 0.197 0.000 0.804 1000 L CB 0.678 42.870 42.059 0.223 0.000 1.197 1000 L HN 0.463 nan 8.230 nan 0.000 0.431 1001 I N 4.517 125.172 120.570 0.143 0.000 2.582 1001 I HA 0.285 4.455 4.170 0.000 0.000 0.292 1001 I C -1.359 174.925 176.117 0.279 0.000 1.066 1001 I CA -0.468 60.931 61.300 0.165 0.000 1.053 1001 I CB 1.878 39.931 38.000 0.088 0.000 1.241 1001 I HN 0.678 nan 8.210 nan 0.000 0.421 1002 W N 6.382 127.703 121.300 0.035 0.000 2.475 1002 W HA 0.557 5.217 4.660 -0.000 0.000 0.317 1002 W C -1.418 175.136 176.519 0.058 0.000 1.046 1002 W CA -0.403 56.972 57.345 0.049 0.000 1.215 1002 W CB 1.979 31.436 29.460 -0.006 0.000 1.335 1002 W HN 0.395 nan 8.180 nan 0.000 0.471 1003 T N 6.760 121.095 114.554 -0.364 0.000 2.861 1003 T HA 0.538 4.888 4.350 0.000 0.000 0.287 1003 T C -0.592 173.779 174.700 -0.548 0.000 1.003 1003 T CA -0.528 61.363 62.100 -0.349 0.000 0.977 1003 T CB 1.696 70.463 68.868 -0.169 0.000 0.996 1003 T HN 0.294 nan 8.240 nan 0.000 0.448 1004 L N 2.783 123.806 121.223 -0.333 0.000 2.362 1004 L HA 0.627 4.968 4.340 0.000 0.000 0.275 1004 L C -0.211 176.603 176.870 -0.093 0.000 0.998 1004 L CA -0.798 53.924 54.840 -0.196 0.000 0.820 1004 L CB 2.077 44.075 42.059 -0.102 0.000 1.270 1004 L HN 0.382 nan 8.230 nan 0.000 0.415 1005 K N 2.353 122.715 120.400 -0.063 0.000 2.507 1005 K HA 0.283 4.603 4.320 0.000 0.000 0.252 1005 K C -1.142 175.442 176.600 -0.027 0.000 0.943 1005 K CA -0.699 55.559 56.287 -0.049 0.000 0.808 1005 K CB 1.734 34.192 32.500 -0.069 0.000 1.142 1005 K HN 0.638 nan 8.250 nan 0.000 0.426 1006 D N 1.387 121.782 120.400 -0.009 0.000 2.447 1006 D HA -0.018 4.622 4.640 0.000 0.000 0.265 1006 D C 0.997 177.292 176.300 -0.009 0.000 1.250 1006 D CA -0.284 53.719 54.000 0.005 0.000 1.046 1006 D CB 0.665 41.487 40.800 0.036 0.000 1.095 1006 D HN 0.360 nan 8.370 nan 0.000 0.555 1007 S N -1.384 114.315 115.700 -0.002 0.000 2.442 1007 S HA -0.103 4.367 4.470 0.000 0.000 0.236 1007 S C 1.733 176.326 174.600 -0.012 0.000 1.007 1007 S CA 0.606 58.798 58.200 -0.013 0.000 0.965 1007 S CB -0.693 62.501 63.200 -0.009 0.000 0.773 1007 S HN 0.662 nan 8.310 nan 0.000 0.504 1008 A N 0.511 123.330 122.820 -0.003 0.000 2.275 1008 A HA 0.613 4.933 4.320 0.000 0.000 0.212 1008 A C 1.665 179.244 177.584 -0.008 0.000 1.201 1008 A CA 0.406 52.441 52.037 -0.003 0.000 0.843 1008 A CB -0.751 18.252 19.000 0.005 0.000 0.873 1008 A HN 1.470 nan 8.150 nan 0.000 0.492 1009 G N -0.743 108.049 108.800 -0.014 0.000 2.141 1009 G HA2 -0.173 3.787 3.960 0.000 0.000 0.231 1009 G HA3 -0.173 3.787 3.960 0.000 0.000 0.231 1009 G C -0.149 174.742 174.900 -0.015 0.000 0.984 1009 G CA 0.140 45.228 45.100 -0.020 0.000 0.660 1009 G HN 0.425 nan 8.290 nan 0.000 0.525 1010 E N -0.267 119.929 120.200 -0.006 0.000 2.373 1010 E HA 0.535 4.885 4.350 0.000 0.000 0.263 1010 E C 0.096 176.689 176.600 -0.012 0.000 1.073 1010 E CA 0.068 56.467 56.400 -0.002 0.000 0.894 1010 E CB 2.210 31.917 29.700 0.011 0.000 1.008 1010 E HN 0.843 nan 8.360 nan 0.000 0.420 1011 V N 2.674 122.580 119.914 -0.013 0.000 2.888 1011 V HA 0.559 4.679 4.120 0.000 0.000 0.309 1011 V C -1.435 174.648 176.094 -0.018 0.000 1.114 1011 V CA -0.807 61.478 62.300 -0.025 0.000 0.940 1011 V CB 2.124 33.925 31.823 -0.036 0.000 1.021 1011 V HN 0.502 nan 8.190 nan 0.000 0.426 1012 R N 4.046 124.531 120.500 -0.025 0.000 2.803 1012 R HA 0.706 5.046 4.340 0.000 0.000 0.276 1012 R C -1.133 175.157 176.300 -0.016 0.000 0.978 1012 R CA -0.588 55.507 56.100 -0.009 0.000 0.939 1012 R CB 2.140 32.443 30.300 0.006 0.000 1.179 1012 R HN 0.914 nan 8.270 nan 0.000 0.472 1013 Q N 1.269 121.078 119.800 0.016 0.000 2.416 1013 Q HA 0.571 4.911 4.340 0.000 0.000 0.281 1013 Q C -0.789 175.261 176.000 0.083 0.000 1.067 1013 Q CA -0.814 55.013 55.803 0.040 0.000 0.809 1013 Q CB 3.224 31.977 28.738 0.024 0.000 1.418 1013 Q HN 0.445 nan 8.270 nan 0.000 0.411 1014 I N 0.803 121.456 120.570 0.139 0.000 2.465 1014 I HA 0.400 4.570 4.170 0.000 0.000 0.291 1014 I C -0.667 175.524 176.117 0.123 0.000 1.014 1014 I CA -0.504 60.869 61.300 0.121 0.000 1.093 1014 I CB 2.376 40.457 38.000 0.135 0.000 1.267 1014 I HN 0.422 nan 8.210 nan 0.000 0.431 1015 T N 6.195 120.805 114.554 0.093 0.000 2.833 1015 T HA 0.343 4.693 4.350 0.000 0.000 0.297 1015 T C -0.831 173.938 174.700 0.113 0.000 1.015 1015 T CA -0.304 61.850 62.100 0.091 0.000 0.963 1015 T CB 0.487 69.381 68.868 0.043 0.000 0.955 1015 T HN 0.295 nan 8.240 nan 0.000 0.449 1016 F N 4.720 124.664 119.950 -0.010 0.000 2.385 1016 F HA 0.524 5.051 4.527 0.000 0.000 0.360 1016 F C 0.216 176.016 175.800 -0.000 0.000 1.122 1016 F CA -1.054 56.931 58.000 -0.026 0.000 1.090 1016 F CB 0.615 39.580 39.000 -0.060 0.000 1.150 1016 F HN 0.289 nan 8.300 nan 0.000 0.472 1017 R N 4.749 124.826 120.500 -0.705 0.000 2.221 1017 R HA 0.132 4.472 4.340 0.000 0.000 0.327 1017 R C -0.627 175.113 176.300 -0.933 0.000 1.033 1017 R CA -0.735 55.009 56.100 -0.594 0.000 0.887 1017 R CB 0.762 30.886 30.300 -0.294 0.000 1.057 1017 R HN 0.676 nan 8.270 nan 0.000 0.455 1018 D N 2.200 122.219 120.400 -0.635 0.000 2.361 1018 D HA 0.081 4.721 4.640 0.000 0.000 0.239 1018 D C 0.229 176.443 176.300 -0.143 0.000 1.200 1018 D CA -0.206 53.601 54.000 -0.321 0.000 0.915 1018 D CB 0.833 41.634 40.800 0.003 0.000 1.170 1018 D HN 0.249 nan 8.370 nan 0.000 0.444 1019 L N 2.791 124.005 121.223 -0.014 0.000 2.461 1019 L HA 0.158 4.498 4.340 0.000 0.000 0.272 1019 L C -1.391 175.447 176.870 -0.053 0.000 1.197 1019 L CA -1.339 53.491 54.840 -0.016 0.000 0.836 1019 L CB 0.114 42.174 42.059 0.003 0.000 1.105 1019 L HN 0.397 nan 8.230 nan 0.000 0.477 1020 P HA -0.102 nan 4.420 nan 0.000 0.217 1020 P C 0.097 177.164 177.300 -0.389 0.000 1.151 1020 P CA 0.840 63.879 63.100 -0.102 0.000 0.828 1020 P CB 0.110 31.850 31.700 0.067 0.000 0.788 1021 D N 0.375 120.462 120.400 -0.521 0.000 2.383 1021 D HA -0.020 4.620 4.640 0.000 0.000 0.245 1021 D C 0.939 177.168 176.300 -0.117 0.000 1.263 1021 D CA 0.067 53.720 54.000 -0.578 0.000 0.936 1021 D CB 0.260 40.892 40.800 -0.279 0.000 1.053 1021 D HN -0.181 nan 8.370 nan 0.000 0.507 1022 K N 3.023 123.421 120.400 -0.003 0.000 2.360 1022 K HA -0.149 4.171 4.320 0.000 0.000 0.201 1022 K C 1.533 178.310 176.600 0.296 0.000 1.046 1022 K CA 0.345 56.655 56.287 0.037 0.000 0.945 1022 K CB -0.335 32.019 32.500 -0.243 0.000 0.750 1022 K HN 0.479 nan 8.250 nan 0.000 0.464 1023 F N 1.892 122.024 119.950 0.303 0.000 2.407 1023 F HA -0.051 4.475 4.527 -0.000 0.000 0.299 1023 F C 0.934 176.847 175.800 0.188 0.000 1.097 1023 F CA 0.958 59.175 58.000 0.360 0.000 1.422 1023 F CB 0.246 39.407 39.000 0.268 0.000 1.067 1023 F HN 0.013 nan 8.300 nan 0.000 0.539 1024 N N 0.088 118.859 118.700 0.119 0.000 2.197 1024 N HA 0.271 5.011 4.740 0.000 0.000 0.228 1024 N C 0.142 175.496 175.510 -0.259 0.000 1.212 1024 N CA 0.403 53.416 53.050 -0.062 0.000 0.883 1024 N CB 0.496 39.016 38.487 0.056 0.000 1.107 1024 N HN 0.161 nan 8.380 nan 0.000 0.519 1025 A N -0.317 122.375 122.820 -0.213 0.000 2.249 1025 A HA 0.426 4.746 4.320 0.000 0.000 0.281 1025 A C 0.311 177.612 177.584 -0.471 0.000 1.127 1025 A CA 0.037 51.886 52.037 -0.312 0.000 0.833 1025 A CB 0.305 19.249 19.000 -0.093 0.000 1.140 1025 A HN 0.173 nan 8.150 nan 0.000 0.502 1026 Y N -1.389 118.992 120.300 0.135 0.000 2.535 1026 Y HA 0.265 4.815 4.550 0.000 0.000 0.266 1026 Y C 0.872 176.840 175.900 0.114 0.000 1.088 1026 Y CA 0.313 58.486 58.100 0.120 0.000 1.285 1026 Y CB 0.212 38.742 38.460 0.116 0.000 1.166 1026 Y HN 0.315 nan 8.280 nan 0.000 0.525 1027 L N 0.080 121.436 121.223 0.221 0.000 3.108 1027 L HA 0.565 4.905 4.340 0.000 0.000 0.251 1027 L C 0.335 177.240 176.870 0.057 0.000 1.315 1027 L CA -0.239 54.685 54.840 0.141 0.000 1.048 1027 L CB 0.132 42.281 42.059 0.151 0.000 1.432 1027 L HN 0.030 nan 8.230 nan 0.000 0.543 1028 A N 0.412 123.272 122.820 0.066 0.000 3.253 1028 A HA 0.273 4.593 4.320 0.000 0.000 0.290 1028 A C 0.780 178.493 177.584 0.216 0.000 0.950 1028 A CA -0.332 51.734 52.037 0.048 0.000 0.986 1028 A CB -0.138 18.872 19.000 0.017 0.000 1.104 1028 A HN 0.581 nan 8.150 nan 0.000 0.481 1029 N N -0.583 118.189 118.700 0.120 0.000 2.850 1029 N HA -0.141 4.599 4.740 0.000 0.000 0.249 1029 N C -0.319 175.335 175.510 0.240 0.000 1.060 1029 N CA 1.191 54.301 53.050 0.100 0.000 0.825 1029 N CB -0.496 37.990 38.487 -0.000 0.000 1.132 1029 N HN 0.707 nan 8.380 nan 0.000 0.564 1030 K N -0.448 120.090 120.400 0.229 0.000 2.340 1030 K HA 0.272 4.593 4.320 0.000 0.000 0.244 1030 K C -0.895 175.856 176.600 0.252 0.000 0.973 1030 K CA -0.569 55.888 56.287 0.284 0.000 0.828 1030 K CB 0.947 33.584 32.500 0.229 0.000 1.226 1030 K HN 0.066 nan 8.250 nan 0.000 0.437 1031 W N 2.717 124.256 121.300 0.397 0.000 2.446 1031 W HA 0.187 4.847 4.660 0.000 0.000 0.316 1031 W C 0.011 176.933 176.519 0.671 0.000 1.376 1031 W CA -0.419 57.206 57.345 0.468 0.000 1.300 1031 W CB 0.671 30.302 29.460 0.285 0.000 1.351 1031 W HN 0.163 nan 8.180 nan 0.000 0.530 1032 V N 2.600 123.012 119.914 0.831 0.000 2.735 1032 V HA 0.520 4.640 4.120 0.000 0.000 0.310 1032 V C -1.036 175.170 176.094 0.187 0.000 1.061 1032 V CA -1.474 61.128 62.300 0.503 0.000 0.913 1032 V CB 1.614 33.617 31.823 0.300 0.000 1.005 1032 V HN 0.283 nan 8.190 nan 0.000 0.428 1033 F N 5.795 125.392 119.950 -0.589 0.000 2.421 1033 F HA 0.676 5.203 4.527 0.000 0.000 0.358 1033 F C -0.116 175.209 175.800 -0.793 0.000 1.115 1033 F CA -1.404 55.925 58.000 -1.119 0.000 1.160 1033 F CB 0.591 38.716 39.000 -1.459 0.000 1.123 1033 F HN 0.406 nan 8.300 nan 0.000 0.508 1034 I N 5.297 125.115 120.570 -1.253 0.000 2.392 1034 I HA 0.334 4.504 4.170 0.000 0.000 0.295 1034 I C -0.284 174.981 176.117 -1.420 0.000 0.985 1034 I CA -0.392 60.166 61.300 -1.237 0.000 1.221 1034 I CB 1.446 38.638 38.000 -1.346 0.000 1.366 1034 I HN 0.487 nan 8.210 nan 0.000 0.467 1035 T N 6.806 120.762 114.554 -0.996 0.000 3.050 1035 T HA 0.533 4.883 4.350 0.000 0.000 0.310 1035 T C -0.160 174.199 174.700 -0.569 0.000 0.978 1035 T CA -0.316 61.307 62.100 -0.795 0.000 1.013 1035 T CB 1.146 69.583 68.868 -0.718 0.000 1.000 1035 T HN 0.284 nan 8.240 nan 0.000 0.447 1036 I N 3.874 124.033 120.570 -0.685 0.000 2.371 1036 I HA 0.317 4.487 4.170 0.000 0.000 0.282 1036 I C 0.903 176.583 176.117 -0.728 0.000 1.031 1036 I CA -0.789 60.015 61.300 -0.826 0.000 1.180 1036 I CB 1.065 38.191 38.000 -1.457 0.000 1.336 1036 I HN 0.598 nan 8.210 nan 0.000 0.467 1037 T N 2.497 116.777 114.554 -0.456 0.000 2.909 1037 T HA 0.403 4.753 4.350 0.000 0.000 0.286 1037 T C -0.166 174.318 174.700 -0.359 0.000 1.002 1037 T CA -0.767 61.108 62.100 -0.374 0.000 1.074 1037 T CB 1.446 70.189 68.868 -0.209 0.000 0.984 1037 T HN 0.516 nan 8.240 nan 0.000 0.495 1038 N N 2.621 121.109 118.700 -0.353 0.000 2.504 1038 N HA 0.224 4.964 4.740 0.000 0.000 0.280 1038 N C -1.889 173.562 175.510 -0.099 0.000 1.052 1038 N CA -0.566 52.346 53.050 -0.231 0.000 0.887 1038 N CB 2.032 40.302 38.487 -0.362 0.000 1.323 1038 N HN 0.739 nan 8.380 nan 0.000 0.509 1039 D N 1.908 122.265 120.400 -0.072 0.000 2.414 1039 D HA 0.224 4.864 4.640 0.000 0.000 0.232 1039 D C 1.130 177.379 176.300 -0.084 0.000 1.070 1039 D CA -0.444 53.525 54.000 -0.052 0.000 0.839 1039 D CB 0.928 41.701 40.800 -0.045 0.000 1.079 1039 D HN 0.196 nan 8.370 nan 0.000 0.521 1040 R N 3.164 123.585 120.500 -0.131 0.000 2.200 1040 R HA -0.052 4.288 4.340 0.000 0.000 0.234 1040 R C 1.413 177.535 176.300 -0.296 0.000 1.127 1040 R CA 0.631 56.530 56.100 -0.334 0.000 0.989 1040 R CB -0.368 29.572 30.300 -0.601 0.000 0.869 1040 R HN 0.571 nan 8.270 nan 0.000 0.459 1041 L N 0.531 121.680 121.223 -0.123 0.000 2.558 1041 L HA 0.006 4.346 4.340 0.000 0.000 0.225 1041 L C 1.490 178.343 176.870 -0.029 0.000 1.128 1041 L CA 0.601 55.420 54.840 -0.036 0.000 0.868 1041 L CB -0.021 42.051 42.059 0.021 0.000 1.006 1041 L HN 0.258 nan 8.230 nan 0.000 0.454 1042 S N -2.198 113.472 115.700 -0.049 0.000 4.567 1042 S HA 0.309 4.779 4.470 0.000 0.000 0.167 1042 S C 0.351 174.927 174.600 -0.040 0.000 1.007 1042 S CA 0.275 58.454 58.200 -0.035 0.000 1.212 1042 S CB 0.846 64.029 63.200 -0.028 0.000 1.741 1042 S HN 0.214 nan 8.310 nan 0.000 0.689 1043 S N 0.148 115.821 115.700 -0.046 0.000 2.615 1043 S HA 0.789 5.259 4.470 0.000 0.000 0.268 1043 S C -1.248 173.322 174.600 -0.049 0.000 1.146 1043 S CA -0.554 57.622 58.200 -0.040 0.000 0.818 1043 S CB 0.983 64.159 63.200 -0.041 0.000 1.111 1043 S HN 1.418 nan 8.310 nan 0.000 0.465 1044 A N 1.401 124.203 122.820 -0.030 0.000 2.292 1044 A HA 0.775 5.095 4.320 0.000 0.000 0.319 1044 A C -0.590 176.922 177.584 -0.120 0.000 1.206 1044 A CA -0.701 51.306 52.037 -0.050 0.000 0.835 1044 A CB 0.130 19.195 19.000 0.109 0.000 1.164 1044 A HN 0.655 nan 8.150 nan 0.000 0.505 1045 N N 1.160 119.737 118.700 -0.204 0.000 2.362 1045 N HA 0.493 5.233 4.740 0.000 0.000 0.298 1045 N C -1.366 173.885 175.510 -0.431 0.000 1.048 1045 N CA -0.447 52.414 53.050 -0.315 0.000 0.858 1045 N CB 2.063 40.362 38.487 -0.314 0.000 1.218 1045 N HN 0.559 nan 8.380 nan 0.000 0.488 1046 L N 2.746 123.661 121.223 -0.513 0.000 2.296 1046 L HA 0.499 4.839 4.340 0.000 0.000 0.286 1046 L C -1.556 174.908 176.870 -0.677 0.000 1.023 1046 L CA -0.438 54.090 54.840 -0.519 0.000 0.812 1046 L CB 0.308 42.129 42.059 -0.398 0.000 1.223 1046 L HN 0.401 nan 8.230 nan 0.000 0.421 1047 Y N 5.251 125.237 120.300 -0.523 0.000 2.409 1047 Y HA 0.658 5.208 4.550 0.000 0.000 0.343 1047 Y C -0.246 175.257 175.900 -0.662 0.000 0.973 1047 Y CA -0.607 57.180 58.100 -0.523 0.000 1.064 1047 Y CB 1.914 40.093 38.460 -0.469 0.000 1.207 1047 Y HN 0.396 nan 8.280 nan 0.000 0.452 1048 I N 3.104 123.359 120.570 -0.525 0.000 2.466 1048 I HA 0.225 4.395 4.170 0.000 0.000 0.289 1048 I C -0.617 175.154 176.117 -0.578 0.000 1.026 1048 I CA -0.950 59.943 61.300 -0.678 0.000 1.078 1048 I CB 1.648 39.050 38.000 -0.996 0.000 1.249 1048 I HN 0.713 nan 8.210 nan 0.000 0.429 1049 N N 4.701 123.025 118.700 -0.627 0.000 2.710 1049 N HA -0.207 4.533 4.740 0.000 0.000 0.249 1049 N C 0.910 175.872 175.510 -0.913 0.000 1.059 1049 N CA 1.466 53.962 53.050 -0.923 0.000 0.720 1049 N CB -0.965 37.289 38.487 -0.388 0.000 0.983 1049 N HN 1.164 nan 8.380 nan 0.000 0.544 1050 G N -3.216 105.211 108.800 -0.621 0.000 2.184 1050 G HA2 -0.302 3.658 3.960 0.000 0.000 0.264 1050 G HA3 -0.302 3.658 3.960 0.000 0.000 0.264 1050 G C -0.041 174.820 174.900 -0.065 0.000 0.975 1050 G CA 0.423 45.366 45.100 -0.261 0.000 0.642 1050 G HN 0.549 nan 8.290 nan 0.000 0.536 1051 V N 1.283 121.153 119.914 -0.074 0.000 2.495 1051 V HA 0.636 4.756 4.120 0.000 0.000 0.298 1051 V C 0.505 176.545 176.094 -0.090 0.000 1.031 1051 V CA -0.880 61.413 62.300 -0.011 0.000 0.871 1051 V CB 1.726 33.508 31.823 -0.068 0.000 0.988 1051 V HN 0.521 nan 8.190 nan 0.000 0.432 1052 L N 6.368 127.496 121.223 -0.159 0.000 2.513 1052 L HA 0.190 4.530 4.340 0.000 0.000 0.272 1052 L C 0.715 177.357 176.870 -0.380 0.000 1.187 1052 L CA 1.181 55.654 54.840 -0.612 0.000 0.895 1052 L CB 0.348 42.060 42.059 -0.578 0.000 1.147 1052 L HN 0.651 nan 8.230 nan 0.000 0.483 1053 M N 4.364 123.713 119.600 -0.418 0.000 2.300 1053 M HA 0.465 4.945 4.480 0.000 0.000 0.313 1053 M C 0.559 176.796 176.300 -0.106 0.000 0.988 1053 M CA 0.214 55.387 55.300 -0.211 0.000 1.012 1053 M CB 0.238 32.665 32.600 -0.289 0.000 1.586 1053 M HN 0.693 nan 8.290 nan 0.000 0.562 1054 G N 0.023 108.691 108.800 -0.219 0.000 2.655 1054 G HA2 0.537 4.497 3.960 0.000 0.000 0.296 1054 G HA3 0.537 4.497 3.960 0.000 0.000 0.296 1054 G C -1.542 173.252 174.900 -0.178 0.000 1.485 1054 G CA -0.250 44.775 45.100 -0.124 0.000 0.869 1054 G HN 0.034 nan 8.290 nan 0.000 0.540 1055 S N -1.202 114.432 115.700 -0.110 0.000 2.661 1055 S HA 0.967 5.437 4.470 0.000 0.000 0.285 1055 S C -0.535 174.039 174.600 -0.043 0.000 1.138 1055 S CA -0.084 58.055 58.200 -0.102 0.000 0.855 1055 S CB 2.044 65.180 63.200 -0.107 0.000 1.136 1055 S HN 2.021 nan 8.310 nan 0.000 0.484 1056 A N 1.326 124.130 122.820 -0.026 0.000 2.480 1056 A HA 0.530 4.850 4.320 0.000 0.000 0.289 1056 A C -1.007 176.575 177.584 -0.003 0.000 1.044 1056 A CA -0.596 51.441 52.037 0.001 0.000 0.761 1056 A CB 0.848 19.870 19.000 0.036 0.000 1.289 1056 A HN 0.665 nan 8.150 nan 0.000 0.401 1057 E N 2.197 122.392 120.200 -0.007 0.000 2.351 1057 E HA 0.171 4.521 4.350 0.000 0.000 0.266 1057 E C 0.641 177.238 176.600 -0.005 0.000 1.031 1057 E CA 0.122 56.516 56.400 -0.010 0.000 0.911 1057 E CB 0.426 30.121 29.700 -0.008 0.000 0.986 1057 E HN 0.652 nan 8.360 nan 0.000 0.446 1058 I N 0.200 120.761 120.570 -0.015 0.000 3.956 1058 I HA 0.069 4.239 4.170 0.000 0.000 0.333 1058 I C 0.814 176.904 176.117 -0.045 0.000 1.302 1058 I CA -0.495 60.793 61.300 -0.019 0.000 1.122 1058 I CB 0.105 38.098 38.000 -0.011 0.000 1.013 1058 I HN 0.171 nan 8.210 nan 0.000 0.405 1059 T N -0.638 113.893 114.554 -0.039 0.000 2.903 1059 T HA 0.435 4.785 4.350 0.000 0.000 0.314 1059 T C 1.283 175.996 174.700 0.021 0.000 1.078 1059 T CA 0.393 62.477 62.100 -0.026 0.000 1.114 1059 T CB 1.239 70.108 68.868 0.001 0.000 0.987 1059 T HN 0.706 nan 8.240 nan 0.000 0.548 1060 G N 1.067 109.912 108.800 0.075 0.000 2.217 1060 G HA2 -0.198 3.762 3.960 0.000 0.000 0.246 1060 G HA3 -0.198 3.762 3.960 0.000 0.000 0.246 1060 G C 0.023 174.985 174.900 0.104 0.000 0.990 1060 G CA -0.089 45.068 45.100 0.094 0.000 0.627 1060 G HN 0.815 nan 8.290 nan 0.000 0.522 1061 L N 1.682 122.952 121.223 0.079 0.000 2.349 1061 L HA 0.529 4.869 4.340 0.000 0.000 0.275 1061 L C 1.650 178.635 176.870 0.192 0.000 1.115 1061 L CA 0.391 55.279 54.840 0.079 0.000 0.820 1061 L CB 0.908 42.976 42.059 0.016 0.000 1.135 1061 L HN 0.286 nan 8.230 nan 0.000 0.445 1062 G N 2.284 111.186 108.800 0.170 0.000 2.489 1062 G HA2 0.416 4.376 3.960 0.000 0.000 0.271 1062 G HA3 0.416 4.376 3.960 0.000 0.000 0.271 1062 G C -0.142 174.909 174.900 0.250 0.000 1.427 1062 G CA -0.078 45.155 45.100 0.222 0.000 1.057 1062 G HN 0.778 nan 8.290 nan 0.000 0.532 1063 A N -1.215 121.710 122.820 0.175 0.000 2.386 1063 A HA 0.541 4.862 4.320 0.000 0.000 0.248 1063 A C -0.087 177.537 177.584 0.067 0.000 1.082 1063 A CA -0.229 51.894 52.037 0.143 0.000 0.789 1063 A CB 0.141 19.183 19.000 0.071 0.000 1.025 1063 A HN 0.460 nan 8.150 nan 0.000 0.490 1064 I N 2.262 122.849 120.570 0.028 0.000 2.307 1064 I HA 0.244 4.414 4.170 0.000 0.000 0.289 1064 I C 0.483 176.559 176.117 -0.067 0.000 1.021 1064 I CA -0.261 61.025 61.300 -0.023 0.000 1.224 1064 I CB 0.894 38.875 38.000 -0.032 0.000 1.376 1064 I HN 0.496 nan 8.210 nan 0.000 0.470 1065 R N 6.311 126.774 120.500 -0.062 0.000 2.565 1065 R HA 0.281 4.621 4.340 0.000 0.000 0.286 1065 R C -0.038 176.200 176.300 -0.102 0.000 1.256 1065 R CA -0.190 55.865 56.100 -0.075 0.000 1.238 1065 R CB 0.323 30.591 30.300 -0.053 0.000 1.153 1065 R HN 0.651 nan 8.270 nan 0.000 0.553 1066 E N 0.628 120.747 120.200 -0.136 0.000 2.405 1066 E HA -0.030 4.320 4.350 0.000 0.000 0.253 1066 E C -0.629 175.881 176.600 -0.151 0.000 1.257 1066 E CA -0.276 56.023 56.400 -0.169 0.000 0.960 1066 E CB 0.727 30.302 29.700 -0.209 0.000 1.077 1066 E HN 0.326 nan 8.360 nan 0.000 0.512 1067 D N -0.632 119.660 120.400 -0.179 0.000 2.193 1067 D HA 0.086 4.726 4.640 0.000 0.000 0.249 1067 D C 0.370 176.569 176.300 -0.168 0.000 1.034 1067 D CA -0.403 53.500 54.000 -0.160 0.000 0.902 1067 D CB 0.794 41.488 40.800 -0.176 0.000 1.182 1067 D HN 0.257 nan 8.370 nan 0.000 0.436 1068 N N 1.854 120.446 118.700 -0.179 0.000 2.364 1068 N HA -0.091 4.649 4.740 0.000 0.000 0.183 1068 N C -0.368 174.930 175.510 -0.353 0.000 1.022 1068 N CA 0.764 53.645 53.050 -0.281 0.000 0.883 1068 N CB -0.321 37.943 38.487 -0.372 0.000 0.965 1068 N HN 0.383 nan 8.380 nan 0.000 0.438 1069 N N 0.588 119.141 118.700 -0.245 0.000 2.399 1069 N HA 0.323 5.063 4.740 0.000 0.000 0.295 1069 N C -0.560 174.854 175.510 -0.160 0.000 1.048 1069 N CA -0.325 52.621 53.050 -0.173 0.000 0.886 1069 N CB 1.963 40.389 38.487 -0.102 0.000 1.185 1069 N HN -0.009 nan 8.380 nan 0.000 0.487 1070 I N 1.597 122.099 120.570 -0.114 0.000 2.359 1070 I HA 0.124 4.294 4.170 0.000 0.000 0.284 1070 I C 0.176 176.187 176.117 -0.177 0.000 1.018 1070 I CA -0.490 60.715 61.300 -0.159 0.000 1.173 1070 I CB 1.059 39.067 38.000 0.013 0.000 1.326 1070 I HN 0.433 nan 8.210 nan 0.000 0.462 1071 T N 5.355 119.774 114.554 -0.226 0.000 2.771 1071 T HA 0.607 4.957 4.350 0.000 0.000 0.281 1071 T C -0.459 174.104 174.700 -0.228 0.000 0.982 1071 T CA -0.735 61.243 62.100 -0.204 0.000 0.978 1071 T CB 1.039 69.798 68.868 -0.181 0.000 0.930 1071 T HN 0.289 nan 8.240 nan 0.000 0.447 1072 L N 3.701 124.789 121.223 -0.226 0.000 2.257 1072 L HA 0.679 5.019 4.340 0.000 0.000 0.290 1072 L C 0.168 176.945 176.870 -0.156 0.000 1.044 1072 L CA -0.512 54.198 54.840 -0.217 0.000 0.810 1072 L CB 0.772 42.692 42.059 -0.232 0.000 1.193 1072 L HN 0.774 nan 8.230 nan 0.000 0.425 1073 K N 3.716 124.042 120.400 -0.124 0.000 2.653 1073 K HA 0.306 4.626 4.320 0.000 0.000 0.274 1073 K C -1.651 174.920 176.600 -0.048 0.000 0.974 1073 K CA -0.764 55.464 56.287 -0.098 0.000 0.868 1073 K CB 1.531 33.952 32.500 -0.132 0.000 1.408 1073 K HN 0.474 nan 8.250 nan 0.000 0.397 1074 L N 3.512 124.720 121.223 -0.025 0.000 2.401 1074 L HA 0.197 4.537 4.340 0.000 0.000 0.283 1074 L C -0.298 176.583 176.870 0.019 0.000 1.151 1074 L CA -0.182 54.680 54.840 0.036 0.000 0.942 1074 L CB 0.024 42.071 42.059 -0.020 0.000 1.283 1074 L HN 0.547 nan 8.230 nan 0.000 0.442 1075 D N 3.757 124.185 120.400 0.047 0.000 2.193 1075 D HA 0.329 4.969 4.640 0.000 0.000 0.244 1075 D C 0.462 176.804 176.300 0.071 0.000 1.064 1075 D CA -0.276 53.740 54.000 0.027 0.000 0.845 1075 D CB 0.694 41.491 40.800 -0.005 0.000 1.148 1075 D HN 0.310 nan 8.370 nan 0.000 0.464 1076 R N 1.347 121.873 120.500 0.044 0.000 3.919 1076 R HA -0.172 4.168 4.340 0.000 0.000 0.412 1076 R C -0.627 175.702 176.300 0.047 0.000 1.102 1076 R CA 0.240 56.373 56.100 0.054 0.000 1.082 1076 R CB -2.855 27.490 30.300 0.074 0.000 1.671 1076 R HN 0.480 nan 8.270 nan 0.000 0.540 1077 C N 2.482 121.764 119.300 -0.029 0.000 2.464 1077 C HA 0.254 4.714 4.460 0.000 0.000 0.370 1077 C C 1.416 176.244 174.990 -0.269 0.000 1.267 1077 C CA -0.472 58.395 59.018 -0.251 0.000 1.781 1077 C CB -0.213 27.200 27.740 -0.544 0.000 2.431 1077 C HN 0.294 nan 8.230 nan 0.000 0.556 1078 N N 3.631 122.162 118.700 -0.282 0.000 2.314 1078 N HA 0.038 4.778 4.740 0.000 0.000 0.200 1078 N C -0.295 174.902 175.510 -0.521 0.000 1.135 1078 N CA 0.289 53.185 53.050 -0.258 0.000 0.835 1078 N CB -0.082 38.367 38.487 -0.063 0.000 0.989 1078 N HN 0.706 nan 8.380 nan 0.000 0.478 1079 N N 1.185 119.434 118.700 -0.752 0.000 2.569 1079 N HA 0.161 4.901 4.740 0.000 0.000 0.254 1079 N C 0.228 175.420 175.510 -0.529 0.000 1.004 1079 N CA -0.303 52.181 53.050 -0.943 0.000 0.904 1079 N CB 0.407 38.130 38.487 -1.274 0.000 1.165 1079 N HN -0.109 nan 8.380 nan 0.000 0.513 1080 N N 2.556 121.057 118.700 -0.331 0.000 2.519 1080 N HA -0.096 4.644 4.740 0.000 0.000 0.186 1080 N C -0.049 175.371 175.510 -0.151 0.000 1.062 1080 N CA 0.845 53.778 53.050 -0.195 0.000 0.910 1080 N CB 0.085 38.507 38.487 -0.109 0.000 0.958 1080 N HN 0.626 nan 8.380 nan 0.000 0.445 1081 N N -0.083 118.502 118.700 -0.192 0.000 2.230 1081 N HA 0.034 4.774 4.740 0.000 0.000 0.202 1081 N C -0.262 175.181 175.510 -0.113 0.000 1.119 1081 N CA -0.116 52.888 53.050 -0.077 0.000 0.851 1081 N CB 0.406 38.874 38.487 -0.032 0.000 0.990 1081 N HN -0.000 nan 8.380 nan 0.000 0.497 1082 Q N 1.243 120.873 119.800 -0.284 0.000 2.304 1082 Q HA 0.120 4.460 4.340 0.000 0.000 0.260 1082 Q C -0.955 174.917 176.000 -0.214 0.000 0.965 1082 Q CA 0.214 55.787 55.803 -0.383 0.000 0.898 1082 Q CB 0.492 28.891 28.738 -0.566 0.000 1.196 1082 Q HN 0.351 nan 8.270 nan 0.000 0.402 1083 Y N -0.516 119.675 120.300 -0.183 0.000 2.615 1083 Y HA 0.844 5.394 4.550 0.000 0.000 0.341 1083 Y C -1.169 174.625 175.900 -0.177 0.000 1.089 1083 Y CA -1.312 56.648 58.100 -0.233 0.000 1.049 1083 Y CB 1.182 39.468 38.460 -0.291 0.000 1.296 1083 Y HN 0.242 nan 8.280 nan 0.000 0.470 1084 V N 0.750 120.649 119.914 -0.024 0.000 3.120 1084 V HA 0.710 4.830 4.120 0.000 0.000 0.303 1084 V C -1.359 174.770 176.094 0.058 0.000 1.238 1084 V CA -0.550 61.760 62.300 0.016 0.000 1.008 1084 V CB 2.659 34.501 31.823 0.033 0.000 1.064 1084 V HN 0.990 nan 8.190 nan 0.000 0.434 1085 S N 5.333 121.107 115.700 0.124 0.000 2.500 1085 S HA 0.786 5.256 4.470 0.000 0.000 0.301 1085 S C -0.851 173.939 174.600 0.316 0.000 1.092 1085 S CA -0.443 57.904 58.200 0.246 0.000 1.030 1085 S CB 1.518 64.876 63.200 0.264 0.000 1.031 1085 S HN 0.559 nan 8.310 nan 0.000 0.483 1086 I N 2.080 122.901 120.570 0.418 0.000 2.647 1086 I HA 0.537 4.707 4.170 0.000 0.000 0.295 1086 I C -1.185 175.234 176.117 0.505 0.000 1.078 1086 I CA -0.538 61.045 61.300 0.472 0.000 1.048 1086 I CB 2.324 40.447 38.000 0.205 0.000 1.239 1086 I HN 0.468 nan 8.210 nan 0.000 0.421 1087 D N 4.916 125.657 120.400 0.567 0.000 2.753 1087 D HA 0.336 4.976 4.640 0.000 0.000 0.224 1087 D C -0.861 175.695 176.300 0.427 0.000 1.213 1087 D CA -0.338 53.883 54.000 0.367 0.000 0.833 1087 D CB 1.550 42.392 40.800 0.069 0.000 1.607 1087 D HN 0.332 nan 8.370 nan 0.000 0.463 1088 K N 1.704 122.297 120.400 0.322 0.000 3.096 1088 K HA -0.235 4.086 4.320 0.000 0.000 0.266 1088 K C -0.219 176.617 176.600 0.394 0.000 1.043 1088 K CA 0.201 56.689 56.287 0.336 0.000 0.758 1088 K CB -2.217 30.465 32.500 0.303 0.000 1.260 1088 K HN 0.438 nan 8.250 nan 0.000 0.481 1089 F N 1.790 121.892 119.950 0.254 0.000 2.557 1089 F HA 0.104 4.631 4.527 0.000 0.000 0.384 1089 F C 0.758 176.655 175.800 0.162 0.000 1.057 1089 F CA 0.294 58.436 58.000 0.236 0.000 1.169 1089 F CB 0.335 39.428 39.000 0.156 0.000 1.070 1089 F HN 0.126 nan 8.300 nan 0.000 0.554 1090 R N 7.036 127.272 120.500 -0.441 0.000 2.744 1090 R HA 0.665 5.005 4.340 0.000 0.000 0.279 1090 R C -1.572 174.308 176.300 -0.701 0.000 0.977 1090 R CA -0.865 54.939 56.100 -0.493 0.000 0.906 1090 R CB 1.701 31.838 30.300 -0.272 0.000 1.197 1090 R HN 0.763 nan 8.270 nan 0.000 0.463 1091 I N 3.309 123.447 120.570 -0.719 0.000 2.545 1091 I HA 0.422 4.592 4.170 0.000 0.000 0.292 1091 I C -1.087 174.662 176.117 -0.614 0.000 1.040 1091 I CA -0.752 60.207 61.300 -0.567 0.000 1.068 1091 I CB 1.844 39.513 38.000 -0.552 0.000 1.251 1091 I HN 0.428 nan 8.210 nan 0.000 0.424 1092 F N 3.098 122.960 119.950 -0.146 0.000 2.538 1092 F HA 0.298 4.825 4.527 0.000 0.000 0.325 1092 F C 1.003 176.815 175.800 0.020 0.000 1.066 1092 F CA -0.874 57.085 58.000 -0.069 0.000 0.946 1092 F CB 1.346 40.312 39.000 -0.056 0.000 1.199 1092 F HN 0.534 nan 8.300 nan 0.000 0.473 1093 C N -0.409 119.032 119.300 0.234 0.000 2.559 1093 C HA 0.511 4.971 4.460 0.000 0.000 0.300 1093 C C 0.005 175.117 174.990 0.205 0.000 1.288 1093 C CA -0.528 58.623 59.018 0.221 0.000 1.699 1093 C CB -2.303 25.525 27.740 0.146 0.000 1.819 1093 C HN 0.807 nan 8.230 nan 0.000 0.600 1094 K N -0.601 119.910 120.400 0.185 0.000 2.533 1094 K HA 0.751 5.071 4.320 0.000 0.000 0.272 1094 K C -1.116 175.494 176.600 0.016 0.000 0.985 1094 K CA -0.455 55.888 56.287 0.093 0.000 0.876 1094 K CB 1.356 33.884 32.500 0.047 0.000 1.452 1094 K HN -0.010 nan 8.250 nan 0.000 0.439 1095 A N 2.669 125.469 122.820 -0.033 0.000 2.269 1095 A HA 0.427 4.747 4.320 0.000 0.000 0.302 1095 A C -0.075 177.411 177.584 -0.163 0.000 1.266 1095 A CA -0.879 51.093 52.037 -0.108 0.000 0.894 1095 A CB -0.280 18.670 19.000 -0.083 0.000 1.147 1095 A HN 0.599 nan 8.150 nan 0.000 0.537 1096 L N 3.149 124.209 121.223 -0.271 0.000 2.464 1096 L HA 0.219 4.559 4.340 0.000 0.000 0.264 1096 L C 0.938 177.645 176.870 -0.273 0.000 1.199 1096 L CA -0.460 54.184 54.840 -0.325 0.000 0.818 1096 L CB 0.302 42.061 42.059 -0.501 0.000 1.102 1096 L HN 0.926 nan 8.230 nan 0.000 0.473 1097 N N 0.784 119.340 118.700 -0.240 0.000 2.518 1097 N HA 0.342 5.082 4.740 0.000 0.000 0.284 1097 N C -2.454 172.900 175.510 -0.259 0.000 1.230 1097 N CA -1.755 51.180 53.050 -0.192 0.000 0.941 1097 N CB 1.438 39.855 38.487 -0.117 0.000 1.219 1097 N HN 0.146 nan 8.380 nan 0.000 0.560 1098 P HA -0.215 nan 4.420 nan 0.000 0.216 1098 P C 1.342 178.542 177.300 -0.166 0.000 1.157 1098 P CA 1.956 64.939 63.100 -0.196 0.000 0.880 1098 P CB 0.097 31.760 31.700 -0.062 0.000 0.791 1099 K N -0.073 120.255 120.400 -0.120 0.000 2.097 1099 K HA -0.198 4.122 4.320 0.000 0.000 0.206 1099 K C 1.825 178.355 176.600 -0.116 0.000 1.049 1099 K CA 1.563 57.793 56.287 -0.096 0.000 0.933 1099 K CB -0.154 32.302 32.500 -0.074 0.000 0.717 1099 K HN 0.159 nan 8.250 nan 0.000 0.442 1100 E N 0.040 120.144 120.200 -0.160 0.000 2.158 1100 E HA -0.079 4.271 4.350 0.000 0.000 0.191 1100 E C 1.921 178.401 176.600 -0.199 0.000 0.982 1100 E CA 0.774 57.066 56.400 -0.180 0.000 0.823 1100 E CB 0.078 29.644 29.700 -0.224 0.000 0.766 1100 E HN 0.308 nan 8.360 nan 0.000 0.468 1101 I N 1.005 121.421 120.570 -0.256 0.000 2.353 1101 I HA -0.207 3.963 4.170 0.000 0.000 0.248 1101 I C 2.467 178.552 176.117 -0.053 0.000 1.119 1101 I CA 0.900 62.057 61.300 -0.239 0.000 1.417 1101 I CB 0.055 37.735 38.000 -0.534 0.000 1.078 1101 I HN 0.037 nan 8.210 nan 0.000 0.421 1102 E N 1.548 121.712 120.200 -0.060 0.000 2.028 1102 E HA -0.276 4.074 4.350 0.000 0.000 0.191 1102 E C 2.061 178.672 176.600 0.019 0.000 0.988 1102 E CA 1.546 57.972 56.400 0.043 0.000 0.799 1102 E CB -0.048 29.655 29.700 0.006 0.000 0.755 1102 E HN 0.078 nan 8.360 nan 0.000 0.447 1103 K N 0.027 120.402 120.400 -0.043 0.000 2.063 1103 K HA -0.131 4.189 4.320 0.000 0.000 0.208 1103 K C 2.063 178.607 176.600 -0.093 0.000 1.048 1103 K CA 1.377 57.621 56.287 -0.072 0.000 0.928 1103 K CB -0.721 31.733 32.500 -0.078 0.000 0.713 1103 K HN 0.273 nan 8.250 nan 0.000 0.442 1104 L N -0.012 121.172 121.223 -0.064 0.000 2.017 1104 L HA -0.128 4.212 4.340 0.000 0.000 0.208 1104 L C 2.146 178.933 176.870 -0.137 0.000 1.073 1104 L CA 1.791 56.589 54.840 -0.071 0.000 0.745 1104 L CB -1.006 41.102 42.059 0.082 0.000 0.894 1104 L HN 0.364 nan 8.230 nan 0.000 0.432 1105 Y N 0.896 121.062 120.300 -0.223 0.000 2.081 1105 Y HA -0.292 4.258 4.550 0.000 0.000 0.280 1105 Y C 2.688 178.495 175.900 -0.155 0.000 1.163 1105 Y CA 2.456 60.295 58.100 -0.436 0.000 1.135 1105 Y CB -1.312 37.062 38.460 -0.145 0.000 0.970 1105 Y HN 0.463 nan 8.280 nan 0.000 0.498 1106 T N -1.993 112.354 114.554 -0.345 0.000 3.035 1106 T HA -0.085 4.266 4.350 0.000 0.000 0.268 1106 T C 1.996 176.567 174.700 -0.215 0.000 1.109 1106 T CA 0.980 62.855 62.100 -0.374 0.000 1.119 1106 T CB -0.977 67.714 68.868 -0.295 0.000 0.900 1106 T HN 0.470 nan 8.240 nan 0.000 0.503 1107 S N 0.227 115.780 115.700 -0.245 0.000 2.507 1107 S HA -0.047 4.423 4.470 0.000 0.000 0.235 1107 S C 1.403 175.835 174.600 -0.280 0.000 0.988 1107 S CA 0.101 58.130 58.200 -0.286 0.000 0.944 1107 S CB -0.832 62.150 63.200 -0.364 0.000 0.762 1107 S HN 0.621 nan 8.310 nan 0.000 0.526 1108 Y N 1.233 121.495 120.300 -0.063 0.000 2.500 1108 Y HA 0.438 4.989 4.550 0.000 0.000 0.270 1108 Y C 0.865 176.704 175.900 -0.102 0.000 1.134 1108 Y CA -0.313 57.772 58.100 -0.025 0.000 1.293 1108 Y CB -0.065 38.508 38.460 0.189 0.000 1.063 1108 Y HN 0.211 nan 8.280 nan 0.000 0.534 1109 L N 1.870 123.117 121.223 0.039 0.000 2.423 1109 L HA 0.196 4.536 4.340 0.000 0.000 0.249 1109 L C 0.306 177.144 176.870 -0.054 0.000 1.276 1109 L CA -0.485 54.340 54.840 -0.026 0.000 1.199 1109 L CB -0.512 41.509 42.059 -0.064 0.000 1.407 1109 L HN 0.046 nan 8.230 nan 0.000 0.410 1110 S N 1.374 117.039 115.700 -0.059 0.000 2.452 1110 S HA 0.403 4.873 4.470 0.000 0.000 0.284 1110 S C 0.156 174.712 174.600 -0.073 0.000 1.171 1110 S CA -0.833 57.325 58.200 -0.069 0.000 1.064 1110 S CB 1.223 64.380 63.200 -0.071 0.000 0.967 1110 S HN 0.255 nan 8.310 nan 0.000 0.484 1111 I N 5.118 125.644 120.570 -0.072 0.000 2.270 1111 I HA 0.150 4.320 4.170 0.000 0.000 0.300 1111 I C 0.903 176.954 176.117 -0.110 0.000 1.186 1111 I CA 0.139 61.396 61.300 -0.073 0.000 1.431 1111 I CB -1.381 36.585 38.000 -0.058 0.000 1.485 1111 I HN 0.826 nan 8.210 nan 0.000 0.650 1112 T N 3.490 117.955 114.554 -0.147 0.000 3.311 1112 T HA 0.272 4.622 4.350 0.000 0.000 0.239 1112 T C 0.344 174.838 174.700 -0.342 0.000 0.976 1112 T CA 0.190 62.117 62.100 -0.287 0.000 1.283 1112 T CB 0.095 68.749 68.868 -0.357 0.000 1.113 1112 T HN 0.025 nan 8.240 nan 0.000 0.392 1113 F N 1.405 121.305 119.950 -0.084 0.000 2.425 1113 F HA 0.604 5.132 4.527 0.000 0.000 0.331 1113 F C 0.066 175.778 175.800 -0.146 0.000 1.085 1113 F CA -1.669 56.265 58.000 -0.109 0.000 1.028 1113 F CB 0.587 39.490 39.000 -0.161 0.000 1.177 1113 F HN 0.013 nan 8.300 nan 0.000 0.487 1114 L N 2.899 124.156 121.223 0.056 0.000 2.399 1114 L HA 0.540 4.880 4.340 0.000 0.000 0.266 1114 L C 0.050 176.851 176.870 -0.114 0.000 1.114 1114 L CA -0.700 54.103 54.840 -0.061 0.000 0.804 1114 L CB 0.885 42.859 42.059 -0.142 0.000 1.146 1114 L HN 0.546 nan 8.230 nan 0.000 0.451 1115 R N 0.227 120.664 120.500 -0.105 0.000 2.732 1115 R HA 0.345 4.685 4.340 0.000 0.000 0.278 1115 R C -1.079 175.171 176.300 -0.082 0.000 0.976 1115 R CA -0.956 55.052 56.100 -0.155 0.000 0.963 1115 R CB 1.639 31.784 30.300 -0.258 0.000 1.150 1115 R HN 0.655 nan 8.270 nan 0.000 0.478 1116 D N 0.418 120.779 120.400 -0.064 0.000 2.478 1116 D HA -0.059 4.581 4.640 0.000 0.000 0.269 1116 D C 0.693 177.045 176.300 0.087 0.000 1.232 1116 D CA -0.586 53.446 54.000 0.053 0.000 1.059 1116 D CB 0.234 41.130 40.800 0.160 0.000 1.104 1116 D HN 0.429 nan 8.370 nan 0.000 0.566 1117 F N -0.728 119.149 119.950 -0.122 0.000 2.287 1117 F HA -0.055 4.472 4.527 0.000 0.000 0.301 1117 F C 1.002 176.593 175.800 -0.349 0.000 1.069 1117 F CA 0.965 58.758 58.000 -0.345 0.000 1.372 1117 F CB -0.092 38.465 39.000 -0.738 0.000 1.056 1117 F HN 0.371 nan 8.300 nan 0.000 0.523 1118 W N -0.586 120.758 121.300 0.073 0.000 3.211 1118 W HA 0.393 5.053 4.660 0.000 0.000 0.292 1118 W C 1.800 178.284 176.519 -0.058 0.000 1.268 1118 W CA 0.517 57.861 57.345 -0.001 0.000 1.702 1118 W CB -0.100 29.419 29.460 0.098 0.000 1.092 1118 W HN 0.122 nan 8.180 nan 0.000 0.643 1119 G N 0.353 108.921 108.800 -0.386 0.000 2.176 1119 G HA2 -0.285 3.675 3.960 0.000 0.000 0.232 1119 G HA3 -0.285 3.675 3.960 0.000 0.000 0.232 1119 G C 0.064 174.763 174.900 -0.334 0.000 0.986 1119 G CA -0.206 44.279 45.100 -1.025 0.000 0.643 1119 G HN 0.320 nan 8.290 nan 0.000 0.522 1120 N N 1.456 120.156 118.700 -0.000 0.000 2.445 1120 N HA 0.536 5.276 4.740 0.000 0.000 0.264 1120 N C -2.648 172.756 175.510 -0.177 0.000 1.227 1120 N CA -1.337 51.711 53.050 -0.003 0.000 0.963 1120 N CB 0.998 39.600 38.487 0.191 0.000 1.188 1120 N HN 0.052 nan 8.380 nan 0.000 0.491 1121 P HA 0.022 nan 4.420 nan 0.000 0.271 1121 P C -0.832 176.271 177.300 -0.329 0.000 1.216 1121 P CA -0.295 62.440 63.100 -0.610 0.000 0.776 1121 P CB 0.525 31.269 31.700 -1.593 0.000 0.881 1122 L N 4.861 125.937 121.223 -0.244 0.000 2.418 1122 L HA 0.156 4.496 4.340 0.000 0.000 0.274 1122 L C 0.547 177.449 176.870 0.053 0.000 1.135 1122 L CA 0.565 55.321 54.840 -0.141 0.000 0.870 1122 L CB -0.358 41.508 42.059 -0.320 0.000 1.154 1122 L HN 0.296 nan 8.230 nan 0.000 0.462 1123 R N 3.667 124.331 120.500 0.273 0.000 2.604 1123 R HA 0.229 4.569 4.340 0.000 0.000 0.287 1123 R C 0.103 176.560 176.300 0.262 0.000 0.970 1123 R CA -0.637 55.664 56.100 0.335 0.000 0.946 1123 R CB 0.985 31.500 30.300 0.359 0.000 1.127 1123 R HN 0.498 nan 8.270 nan 0.000 0.473 1124 Y N 1.108 121.531 120.300 0.204 0.000 2.118 1124 Y HA -0.208 4.342 4.550 -0.000 0.000 0.260 1124 Y C 1.099 177.105 175.900 0.177 0.000 1.087 1124 Y CA 1.686 59.892 58.100 0.177 0.000 1.075 1124 Y CB 0.168 38.697 38.460 0.115 0.000 0.995 1124 Y HN 0.514 nan 8.280 nan 0.000 0.475 1125 D N 0.476 121.055 120.400 0.298 0.000 3.032 1125 D HA 0.103 4.743 4.640 0.000 0.000 0.241 1125 D C -0.629 175.725 176.300 0.090 0.000 1.196 1125 D CA 0.403 54.501 54.000 0.162 0.000 0.927 1125 D CB -0.535 40.318 40.800 0.088 0.000 1.129 1125 D HN 0.116 nan 8.370 nan 0.000 0.458 1126 T N 0.083 114.691 114.554 0.091 0.000 2.887 1126 T HA 0.263 4.613 4.350 0.000 0.000 0.288 1126 T C 0.189 174.743 174.700 -0.244 0.000 1.021 1126 T CA -0.834 61.210 62.100 -0.094 0.000 1.000 1126 T CB 2.286 71.072 68.868 -0.137 0.000 1.034 1126 T HN 0.008 nan 8.240 nan 0.000 0.467 1127 E N 1.361 121.378 120.200 -0.305 0.000 2.343 1127 E HA 0.414 4.764 4.350 0.000 0.000 0.269 1127 E C -1.263 175.051 176.600 -0.477 0.000 1.047 1127 E CA -0.371 55.881 56.400 -0.247 0.000 0.874 1127 E CB 0.857 30.461 29.700 -0.160 0.000 1.033 1127 E HN 0.494 nan 8.360 nan 0.000 0.409 1128 Y N 0.311 120.689 120.300 0.131 0.000 2.534 1128 Y HA 0.277 4.828 4.550 0.000 0.000 0.345 1128 Y C -1.048 174.891 175.900 0.066 0.000 1.031 1128 Y CA -0.913 57.312 58.100 0.208 0.000 1.022 1128 Y CB 1.241 39.929 38.460 0.380 0.000 1.292 1128 Y HN 0.422 nan 8.280 nan 0.000 0.459 1129 Y N 2.174 122.690 120.300 0.360 0.000 2.330 1129 Y HA 0.525 5.075 4.550 -0.000 0.000 0.336 1129 Y C -0.532 175.417 175.900 0.083 0.000 1.036 1129 Y CA -0.690 57.559 58.100 0.249 0.000 1.125 1129 Y CB 1.083 39.659 38.460 0.193 0.000 1.194 1129 Y HN 0.391 nan 8.280 nan 0.000 0.469 1130 L N 4.600 125.879 121.223 0.093 0.000 2.334 1130 L HA 0.505 4.845 4.340 0.000 0.000 0.277 1130 L C -0.679 176.261 176.870 0.117 0.000 1.075 1130 L CA -0.032 54.713 54.840 -0.157 0.000 0.804 1130 L CB 0.731 42.437 42.059 -0.588 0.000 1.174 1130 L HN 0.496 nan 8.230 nan 0.000 0.438 1131 I N 4.972 125.674 120.570 0.220 0.000 2.560 1131 I HA 0.251 4.421 4.170 0.000 0.000 0.283 1131 I C -2.370 173.871 176.117 0.207 0.000 1.115 1131 I CA -1.621 59.819 61.300 0.234 0.000 1.066 1131 I CB 2.219 40.328 38.000 0.182 0.000 1.221 1131 I HN 0.424 nan 8.210 nan 0.000 0.450 1132 P HA -0.052 nan 4.420 nan 0.000 0.262 1132 P C 1.115 178.191 177.300 -0.372 0.000 1.199 1132 P CA 0.133 62.877 63.100 -0.592 0.000 0.763 1132 P CB 1.345 32.593 31.700 -0.755 0.000 0.790 1133 V N 2.552 122.116 119.914 -0.582 0.000 2.568 1133 V HA -0.238 3.882 4.120 0.000 0.000 0.253 1133 V C 2.122 178.075 176.094 -0.234 0.000 1.072 1133 V CA 2.134 64.119 62.300 -0.525 0.000 1.084 1133 V CB -1.683 29.668 31.823 -0.788 0.000 0.676 1133 V HN 0.481 nan 8.190 nan 0.000 0.469 1134 A N 1.100 123.740 122.820 -0.300 0.000 2.015 1134 A HA 0.077 4.397 4.320 0.000 0.000 0.219 1134 A C 1.710 179.223 177.584 -0.119 0.000 1.163 1134 A CA 1.447 53.367 52.037 -0.195 0.000 0.646 1134 A CB -0.539 18.321 19.000 -0.233 0.000 0.806 1134 A HN 1.412 nan 8.150 nan 0.000 0.448 1135 S N -0.848 114.779 115.700 -0.122 0.000 2.317 1135 S HA 0.283 4.753 4.470 0.000 0.000 0.144 1135 S C 0.257 174.826 174.600 -0.051 0.000 1.660 1135 S CA 0.222 58.381 58.200 -0.069 0.000 1.273 1135 S CB 0.145 63.303 63.200 -0.071 0.000 1.330 1135 S HN 0.658 nan 8.310 nan 0.000 0.395 1136 S N 0.974 116.670 115.700 -0.006 0.000 2.795 1136 S HA -0.026 4.444 4.470 0.000 0.000 0.236 1136 S C 1.148 175.587 174.600 -0.269 0.000 0.973 1136 S CA 0.374 58.552 58.200 -0.038 0.000 0.982 1136 S CB -0.880 62.417 63.200 0.162 0.000 0.786 1136 S HN 0.942 nan 8.310 nan 0.000 0.538 1137 S N -0.968 114.639 115.700 -0.155 0.000 2.603 1137 S HA 0.342 4.812 4.470 0.000 0.000 0.232 1137 S C 0.181 174.727 174.600 -0.090 0.000 1.016 1137 S CA -0.726 57.382 58.200 -0.154 0.000 0.976 1137 S CB 0.287 63.434 63.200 -0.088 0.000 0.921 1137 S HN 0.219 nan 8.310 nan 0.000 0.516 1138 K N 2.032 122.396 120.400 -0.059 0.000 2.156 1138 K HA 0.594 4.915 4.320 0.000 0.000 0.250 1138 K C -1.154 175.453 176.600 0.011 0.000 0.955 1138 K CA -0.409 55.872 56.287 -0.010 0.000 0.855 1138 K CB 0.946 33.455 32.500 0.015 0.000 1.101 1138 K HN 0.094 nan 8.250 nan 0.000 0.434 1139 D N 0.405 120.823 120.400 0.029 0.000 2.350 1139 D HA 0.337 4.977 4.640 0.000 0.000 0.238 1139 D C -0.597 175.739 176.300 0.060 0.000 0.989 1139 D CA -0.640 53.395 54.000 0.059 0.000 0.921 1139 D CB 2.168 42.997 40.800 0.049 0.000 1.297 1139 D HN -0.024 nan 8.370 nan 0.000 0.490 1140 V N 2.183 122.156 119.914 0.100 0.000 2.439 1140 V HA 0.275 4.395 4.120 0.000 0.000 0.282 1140 V C 0.102 176.179 176.094 -0.029 0.000 1.039 1140 V CA -0.430 61.910 62.300 0.068 0.000 0.913 1140 V CB 1.363 33.282 31.823 0.161 0.000 0.983 1140 V HN 0.333 nan 8.190 nan 0.000 0.460 1141 Q N 2.581 122.234 119.800 -0.246 0.000 2.413 1141 Q HA 0.551 4.891 4.340 0.000 0.000 0.276 1141 Q C -1.189 174.598 176.000 -0.354 0.000 1.099 1141 Q CA -0.966 54.621 55.803 -0.360 0.000 0.814 1141 Q CB 2.880 31.279 28.738 -0.565 0.000 1.379 1141 Q HN 0.590 nan 8.270 nan 0.000 0.436 1142 L N 2.323 123.391 121.223 -0.259 0.000 2.264 1142 L HA 0.266 4.606 4.340 0.000 0.000 0.289 1142 L C 1.225 178.032 176.870 -0.105 0.000 1.044 1142 L CA 0.383 55.076 54.840 -0.244 0.000 0.807 1142 L CB 0.760 42.503 42.059 -0.526 0.000 1.192 1142 L HN 0.624 nan 8.230 nan 0.000 0.425 1143 K N 3.792 124.145 120.400 -0.079 0.000 1.985 1143 K HA -0.053 4.267 4.320 0.000 0.000 0.210 1143 K C 0.167 176.682 176.600 -0.143 0.000 1.047 1143 K CA 1.039 57.253 56.287 -0.122 0.000 0.932 1143 K CB 0.176 32.282 32.500 -0.656 0.000 0.716 1143 K HN 0.737 nan 8.250 nan 0.000 0.439 1144 N N -0.749 117.827 118.700 -0.206 0.000 2.636 1144 N HA 0.021 4.761 4.740 0.000 0.000 0.261 1144 N C 0.397 175.803 175.510 -0.174 0.000 1.195 1144 N CA -0.123 52.845 53.050 -0.137 0.000 0.902 1144 N CB 1.216 39.649 38.487 -0.091 0.000 1.627 1144 N HN 0.129 nan 8.380 nan 0.000 0.491 1145 I N 1.677 122.151 120.570 -0.160 0.000 2.720 1145 I HA -0.422 3.748 4.170 0.000 0.000 0.208 1145 I C 1.592 177.616 176.117 -0.156 0.000 0.908 1145 I CA 2.802 63.965 61.300 -0.228 0.000 1.222 1145 I CB -0.282 37.615 38.000 -0.172 0.000 0.933 1145 I HN 0.772 nan 8.210 nan 0.000 0.360 1146 T N -0.701 113.810 114.554 -0.071 0.000 3.139 1146 T HA -0.023 4.327 4.350 0.000 0.000 0.267 1146 T C 0.637 175.398 174.700 0.102 0.000 1.164 1146 T CA 0.417 62.531 62.100 0.023 0.000 1.075 1146 T CB -0.589 68.276 68.868 -0.006 0.000 0.904 1146 T HN 0.435 nan 8.240 nan 0.000 0.540 1147 D N 0.778 121.179 120.400 0.002 0.000 2.539 1147 D HA 0.357 4.997 4.640 0.000 0.000 0.280 1147 D C 0.105 176.415 176.300 0.017 0.000 1.208 1147 D CA -0.686 53.311 54.000 -0.004 0.000 1.088 1147 D CB 0.659 41.364 40.800 -0.158 0.000 1.149 1147 D HN 0.392 nan 8.370 nan 0.000 0.596 1148 Y N -0.812 119.526 120.300 0.063 0.000 2.289 1148 Y HA 0.554 5.104 4.550 0.000 0.000 0.332 1148 Y C -0.045 175.935 175.900 0.133 0.000 1.324 1148 Y CA -0.825 57.330 58.100 0.093 0.000 1.478 1148 Y CB 0.324 38.846 38.460 0.103 0.000 1.378 1148 Y HN 0.061 nan 8.280 nan 0.000 0.558 1149 M N 2.154 122.011 119.600 0.430 0.000 2.528 1149 M HA 0.478 4.958 4.480 0.000 0.000 0.321 1149 M C -1.594 175.014 176.300 0.514 0.000 1.153 1149 M CA -0.853 54.634 55.300 0.312 0.000 0.951 1149 M CB 2.211 34.916 32.600 0.176 0.000 1.705 1149 M HN 0.813 nan 8.290 nan 0.000 0.451 1150 Y N -0.624 119.835 120.300 0.265 0.000 2.625 1150 Y HA 0.762 5.312 4.550 0.000 0.000 0.338 1150 Y C -1.740 174.271 175.900 0.185 0.000 1.123 1150 Y CA -1.629 56.621 58.100 0.250 0.000 1.046 1150 Y CB 0.852 39.497 38.460 0.308 0.000 1.299 1150 Y HN 0.551 nan 8.280 nan 0.000 0.464 1151 L N 2.260 123.612 121.223 0.215 0.000 2.417 1151 L HA 0.593 4.933 4.340 0.000 0.000 0.268 1151 L C -0.086 176.851 176.870 0.112 0.000 1.158 1151 L CA -0.104 54.805 54.840 0.116 0.000 0.819 1151 L CB 1.281 43.424 42.059 0.140 0.000 1.112 1151 L HN 0.892 nan 8.230 nan 0.000 0.458 1152 T N 0.789 115.366 114.554 0.038 0.000 2.864 1152 T HA 0.282 4.632 4.350 0.000 0.000 0.289 1152 T C -0.707 174.021 174.700 0.047 0.000 1.082 1152 T CA -0.805 61.332 62.100 0.062 0.000 1.009 1152 T CB 1.570 70.440 68.868 0.003 0.000 1.234 1152 T HN 0.444 nan 8.240 nan 0.000 0.526 1153 N N 0.874 119.602 118.700 0.047 0.000 2.419 1153 N HA 0.573 5.313 4.740 0.000 0.000 0.264 1153 N C -0.404 175.113 175.510 0.011 0.000 1.031 1153 N CA -0.341 52.723 53.050 0.023 0.000 0.951 1153 N CB 0.969 39.471 38.487 0.025 0.000 1.101 1153 N HN 0.784 nan 8.380 nan 0.000 0.488 1154 A N 3.518 126.331 122.820 -0.011 0.000 2.425 1154 A HA 0.338 4.658 4.320 0.000 0.000 0.249 1154 A C -1.909 175.669 177.584 -0.010 0.000 1.084 1154 A CA -0.914 51.111 52.037 -0.020 0.000 0.781 1154 A CB -0.138 18.823 19.000 -0.064 0.000 1.019 1154 A HN 0.507 nan 8.150 nan 0.000 0.490 1155 P HA 0.313 nan 4.420 nan 0.000 0.276 1155 P C -0.427 176.879 177.300 0.009 0.000 1.252 1155 P CA -0.239 62.869 63.100 0.012 0.000 0.802 1155 P CB 1.152 32.869 31.700 0.028 0.000 1.035 1156 S N 0.190 115.889 115.700 -0.002 0.000 2.532 1156 S HA 0.430 4.900 4.470 0.000 0.000 0.301 1156 S C -1.103 173.474 174.600 -0.038 0.000 1.083 1156 S CA -0.313 57.876 58.200 -0.017 0.000 1.025 1156 S CB 0.643 63.827 63.200 -0.026 0.000 1.056 1156 S HN 0.450 nan 8.310 nan 0.000 0.494 1157 Y N 2.354 122.491 120.300 -0.271 0.000 2.360 1157 Y HA 0.624 5.175 4.550 0.000 0.000 0.337 1157 Y C -0.002 175.759 175.900 -0.232 0.000 1.039 1157 Y CA -0.404 57.494 58.100 -0.337 0.000 1.109 1157 Y CB 1.197 39.251 38.460 -0.676 0.000 1.201 1157 Y HN 0.691 nan 8.280 nan 0.000 0.458 1158 T N 2.839 116.810 114.554 -0.972 0.000 2.916 1158 T HA 0.429 4.779 4.350 0.000 0.000 0.305 1158 T C -1.593 172.630 174.700 -0.794 0.000 1.119 1158 T CA -0.996 60.741 62.100 -0.605 0.000 1.008 1158 T CB 1.644 70.322 68.868 -0.316 0.000 1.129 1158 T HN 0.616 nan 8.240 nan 0.000 0.480 1159 N N 0.344 118.823 118.700 -0.370 0.000 2.621 1159 N HA 0.344 5.084 4.740 0.000 0.000 0.271 1159 N C 1.145 176.624 175.510 -0.052 0.000 1.181 1159 N CA 0.018 52.950 53.050 -0.198 0.000 0.805 1159 N CB 1.372 39.832 38.487 -0.044 0.000 1.351 1159 N HN 0.947 nan 8.380 nan 0.000 0.539 1160 G N 2.462 111.222 108.800 -0.066 0.000 2.440 1160 G HA2 -0.310 3.650 3.960 0.000 0.000 0.218 1160 G HA3 -0.310 3.650 3.960 0.000 0.000 0.218 1160 G C 1.362 176.260 174.900 -0.004 0.000 1.154 1160 G CA 1.449 46.529 45.100 -0.032 0.000 0.767 1160 G HN 0.682 nan 8.290 nan 0.000 0.552 1161 K N 0.263 120.661 120.400 -0.003 0.000 2.057 1161 K HA 0.045 4.365 4.320 0.000 0.000 0.207 1161 K C 2.033 178.646 176.600 0.023 0.000 1.049 1161 K CA 1.295 57.587 56.287 0.009 0.000 0.931 1161 K CB -0.470 32.035 32.500 0.008 0.000 0.714 1161 K HN 0.366 nan 8.250 nan 0.000 0.440 1162 L N 0.792 122.039 121.223 0.039 0.000 2.592 1162 L HA 0.132 4.472 4.340 0.000 0.000 0.227 1162 L C -0.039 176.868 176.870 0.062 0.000 1.127 1162 L CA -0.308 54.564 54.840 0.053 0.000 0.884 1162 L CB -0.908 41.196 42.059 0.075 0.000 1.065 1162 L HN 0.325 nan 8.230 nan 0.000 0.457 1163 N N 1.801 120.540 118.700 0.064 0.000 2.667 1163 N HA -0.246 4.494 4.740 0.000 0.000 0.263 1163 N C -0.673 174.914 175.510 0.129 0.000 1.038 1163 N CA 0.485 53.590 53.050 0.091 0.000 0.749 1163 N CB -0.731 37.795 38.487 0.065 0.000 0.892 1163 N HN 0.542 nan 8.380 nan 0.000 0.546 1164 I N 0.965 121.638 120.570 0.172 0.000 2.802 1164 I HA 0.710 4.880 4.170 0.000 0.000 0.298 1164 I C -1.381 174.919 176.117 0.306 0.000 1.176 1164 I CA -0.949 60.471 61.300 0.200 0.000 1.025 1164 I CB 1.592 39.726 38.000 0.224 0.000 1.243 1164 I HN 0.249 nan 8.210 nan 0.000 0.424 1165 Y N 4.979 125.401 120.300 0.203 0.000 2.732 1165 Y HA 0.704 5.254 4.550 -0.000 0.000 0.342 1165 Y C -2.056 174.042 175.900 0.330 0.000 1.203 1165 Y CA -1.143 57.022 58.100 0.108 0.000 1.092 1165 Y CB 0.632 39.076 38.460 -0.026 0.000 1.345 1165 Y HN 0.746 nan 8.280 nan 0.000 0.458 1166 Y N -0.740 119.772 120.300 0.352 0.000 2.717 1166 Y HA 0.577 5.127 4.550 -0.000 0.000 0.345 1166 Y C -1.497 174.589 175.900 0.310 0.000 1.187 1166 Y CA -1.999 56.279 58.100 0.297 0.000 1.128 1166 Y CB 0.747 39.410 38.460 0.338 0.000 1.360 1166 Y HN 0.919 nan 8.280 nan 0.000 0.467 1167 R N 1.774 122.476 120.500 0.335 0.000 2.389 1167 R HA 0.547 4.887 4.340 0.000 0.000 0.295 1167 R C -0.762 175.708 176.300 0.283 0.000 1.075 1167 R CA -0.714 55.463 56.100 0.129 0.000 1.005 1167 R CB 0.852 31.080 30.300 -0.119 0.000 0.987 1167 R HN 0.730 nan 8.270 nan 0.000 0.452 1168 R N 2.679 123.279 120.500 0.166 0.000 2.590 1168 R HA 0.147 4.487 4.340 0.000 0.000 0.274 1168 R C -0.049 176.246 176.300 -0.009 0.000 1.061 1168 R CA -0.066 56.155 56.100 0.201 0.000 1.081 1168 R CB 0.396 30.767 30.300 0.119 0.000 0.984 1168 R HN 0.497 nan 8.270 nan 0.000 0.448 1169 L N 2.434 123.548 121.223 -0.181 0.000 2.376 1169 L HA 0.308 4.648 4.340 0.000 0.000 0.267 1169 L C -0.152 176.361 176.870 -0.596 0.000 1.035 1169 L CA -0.897 53.572 54.840 -0.618 0.000 0.800 1169 L CB 0.537 41.832 42.059 -1.274 0.000 1.290 1169 L HN 0.700 nan 8.230 nan 0.000 0.462 1170 Y N -1.003 118.974 120.300 -0.538 0.000 4.786 1170 Y HA -0.232 4.318 4.550 0.000 0.000 0.243 1170 Y C -0.038 175.503 175.900 -0.599 0.000 1.027 1170 Y CA -0.365 57.186 58.100 -0.914 0.000 2.052 1170 Y CB -2.783 35.443 38.460 -0.390 0.000 1.578 1170 Y HN 0.687 nan 8.280 nan 0.000 0.655 1171 N N 0.771 119.359 118.700 -0.188 0.000 2.314 1171 N HA 0.715 5.455 4.740 0.000 0.000 0.304 1171 N C 0.578 176.216 175.510 0.214 0.000 1.073 1171 N CA -0.013 53.082 53.050 0.076 0.000 0.822 1171 N CB 2.921 41.446 38.487 0.063 0.000 1.280 1171 N HN 0.545 nan 8.380 nan 0.000 0.489 1172 G N 0.012 108.988 108.800 0.293 0.000 2.408 1172 G HA2 -0.046 3.914 3.960 0.000 0.000 0.682 1172 G HA3 -0.046 3.914 3.960 0.000 0.000 0.682 1172 G C -1.198 173.866 174.900 0.273 0.000 1.303 1172 G CA -1.014 44.244 45.100 0.264 0.000 0.966 1172 G HN 0.420 nan 8.290 nan 0.000 0.560 1173 L N 0.361 121.661 121.223 0.127 0.000 2.499 1173 L HA 0.414 4.754 4.340 0.000 0.000 0.281 1173 L C 0.956 177.698 176.870 -0.213 0.000 1.234 1173 L CA 0.792 55.582 54.840 -0.085 0.000 0.839 1173 L CB 0.400 42.316 42.059 -0.238 0.000 1.104 1173 L HN 0.570 nan 8.230 nan 0.000 0.500 1174 K N 3.274 123.430 120.400 -0.406 0.000 2.274 1174 K HA 0.497 4.817 4.320 0.000 0.000 0.262 1174 K C -1.177 175.192 176.600 -0.384 0.000 0.961 1174 K CA -0.351 55.683 56.287 -0.422 0.000 0.833 1174 K CB 1.220 33.497 32.500 -0.371 0.000 1.102 1174 K HN 0.154 nan 8.250 nan 0.000 0.436 1175 F N 2.210 122.132 119.950 -0.047 0.000 2.497 1175 F HA 0.596 5.123 4.527 0.000 0.000 0.331 1175 F C 0.272 176.185 175.800 0.189 0.000 1.060 1175 F CA -0.964 57.094 58.000 0.097 0.000 0.989 1175 F CB 1.120 40.180 39.000 0.101 0.000 1.245 1175 F HN 0.178 nan 8.300 nan 0.000 0.486 1176 I N 2.441 123.273 120.570 0.436 0.000 2.607 1176 I HA 0.349 4.519 4.170 0.000 0.000 0.290 1176 I C -1.177 175.199 176.117 0.431 0.000 1.129 1176 I CA -0.545 60.974 61.300 0.364 0.000 1.042 1176 I CB 2.381 40.502 38.000 0.201 0.000 1.242 1176 I HN 0.350 nan 8.210 nan 0.000 0.421 1177 I N 6.194 127.005 120.570 0.402 0.000 2.315 1177 I HA 0.324 4.494 4.170 0.000 0.000 0.291 1177 I C -0.205 176.197 176.117 0.475 0.000 1.006 1177 I CA -0.581 60.940 61.300 0.368 0.000 1.265 1177 I CB 0.775 38.865 38.000 0.149 0.000 1.387 1177 I HN 0.321 nan 8.210 nan 0.000 0.475 1178 K N 6.807 127.509 120.400 0.504 0.000 2.259 1178 K HA 0.458 4.778 4.320 0.000 0.000 0.252 1178 K C -0.401 176.473 176.600 0.456 0.000 0.936 1178 K CA -0.819 55.726 56.287 0.431 0.000 0.810 1178 K CB 2.251 34.950 32.500 0.332 0.000 1.143 1178 K HN 0.638 nan 8.250 nan 0.000 0.427 1179 R N 1.048 121.668 120.500 0.200 0.000 2.594 1179 R HA 0.053 4.393 4.340 0.000 0.000 0.272 1179 R C 0.524 176.967 176.300 0.240 0.000 1.074 1179 R CA -0.178 56.019 56.100 0.161 0.000 1.105 1179 R CB 0.150 30.308 30.300 -0.237 0.000 1.008 1179 R HN 0.587 nan 8.270 nan 0.000 0.472 1180 Y N 2.016 122.438 120.300 0.203 0.000 2.109 1180 Y HA -0.121 4.429 4.550 0.000 0.000 0.285 1180 Y C 0.857 176.823 175.900 0.110 0.000 1.131 1180 Y CA 2.048 60.257 58.100 0.182 0.000 1.121 1180 Y CB 0.285 38.877 38.460 0.220 0.000 0.987 1180 Y HN 0.838 nan 8.280 nan 0.000 0.495 1181 T N -1.304 113.336 114.554 0.142 0.000 2.896 1181 T HA 0.449 4.799 4.350 0.000 0.000 0.297 1181 T C -2.908 171.812 174.700 0.034 0.000 1.108 1181 T CA -2.099 60.018 62.100 0.029 0.000 1.004 1181 T CB 1.979 70.881 68.868 0.056 0.000 1.159 1181 T HN -0.019 nan 8.240 nan 0.000 0.499 1182 P HA 0.266 nan 4.420 nan 0.000 0.284 1182 P C -0.886 176.420 177.300 0.010 0.000 1.343 1182 P CA -0.297 62.796 63.100 -0.012 0.000 0.826 1182 P CB 0.306 31.990 31.700 -0.025 0.000 0.956 1183 N N 2.968 121.682 118.700 0.023 0.000 2.563 1183 N HA 0.068 4.808 4.740 0.000 0.000 0.288 1183 N C 0.902 176.426 175.510 0.024 0.000 1.246 1183 N CA -0.535 52.537 53.050 0.036 0.000 0.946 1183 N CB -0.147 38.380 38.487 0.066 0.000 1.213 1183 N HN -0.013 nan 8.380 nan 0.000 0.578 1184 N N -0.439 118.277 118.700 0.028 0.000 1.524 1184 N HA -0.332 4.408 4.740 0.000 0.000 0.117 1184 N C -0.803 174.717 175.510 0.016 0.000 0.436 1184 N CA 2.704 55.767 53.050 0.022 0.000 0.787 1184 N CB -0.349 38.155 38.487 0.029 0.000 0.665 1184 N HN 0.768 nan 8.380 nan 0.000 1.384 1185 E N -0.733 119.480 120.200 0.022 0.000 2.234 1185 E HA 0.371 4.721 4.350 0.000 0.000 0.266 1185 E C -0.886 175.719 176.600 0.008 0.000 0.877 1185 E CA -0.560 55.849 56.400 0.016 0.000 0.758 1185 E CB 1.798 31.515 29.700 0.028 0.000 1.170 1185 E HN 0.095 nan 8.360 nan 0.000 0.415 1186 I N 2.983 123.544 120.570 -0.015 0.000 2.372 1186 I HA 0.092 4.262 4.170 0.000 0.000 0.298 1186 I C 0.002 176.101 176.117 -0.030 0.000 1.137 1186 I CA -0.077 61.197 61.300 -0.044 0.000 1.314 1186 I CB -0.746 37.218 38.000 -0.061 0.000 1.444 1186 I HN 0.549 nan 8.210 nan 0.000 0.541 1187 D N 3.548 123.954 120.400 0.010 0.000 2.225 1187 D HA 0.183 4.823 4.640 0.000 0.000 0.249 1187 D C 1.094 177.410 176.300 0.026 0.000 1.052 1187 D CA -0.208 53.815 54.000 0.038 0.000 0.909 1187 D CB 1.656 42.567 40.800 0.186 0.000 1.186 1187 D HN 0.452 nan 8.370 nan 0.000 0.431 1188 S N 1.711 117.329 115.700 -0.136 0.000 2.496 1188 S HA 0.037 4.507 4.470 0.000 0.000 0.224 1188 S C 0.660 175.279 174.600 0.033 0.000 0.996 1188 S CA 0.028 58.150 58.200 -0.130 0.000 0.927 1188 S CB -0.106 62.868 63.200 -0.377 0.000 0.774 1188 S HN 0.272 nan 8.310 nan 0.000 0.524 1189 F N 2.240 122.210 119.950 0.033 0.000 2.408 1189 F HA 0.515 5.042 4.527 0.000 0.000 0.344 1189 F C 0.147 176.016 175.800 0.115 0.000 1.112 1189 F CA -2.416 55.488 58.000 -0.160 0.000 1.096 1189 F CB 0.977 39.407 39.000 -0.950 0.000 1.129 1189 F HN -0.191 nan 8.300 nan 0.000 0.486 1190 V N 4.554 124.533 119.914 0.109 0.000 2.521 1190 V HA 0.120 4.240 4.120 0.000 0.000 0.286 1190 V C 0.237 176.485 176.094 0.257 0.000 1.034 1190 V CA -0.582 61.681 62.300 -0.061 0.000 1.045 1190 V CB 0.258 31.815 31.823 -0.444 0.000 0.974 1190 V HN 0.605 nan 8.190 nan 0.000 0.480 1191 K N 2.695 123.257 120.400 0.269 0.000 2.123 1191 K HA 0.420 4.740 4.320 0.000 0.000 0.259 1191 K C 0.139 176.734 176.600 -0.009 0.000 0.960 1191 K CA -0.468 55.898 56.287 0.132 0.000 0.872 1191 K CB 1.527 34.030 32.500 0.004 0.000 1.079 1191 K HN 0.590 nan 8.250 nan 0.000 0.440 1192 S N 0.609 116.271 115.700 -0.064 0.000 2.515 1192 S HA 0.234 4.704 4.470 0.000 0.000 0.285 1192 S C 1.033 175.571 174.600 -0.103 0.000 1.265 1192 S CA 1.279 59.431 58.200 -0.081 0.000 1.079 1192 S CB -0.458 62.696 63.200 -0.077 0.000 0.877 1192 S HN 0.860 nan 8.310 nan 0.000 0.493 1193 G N 4.321 113.039 108.800 -0.137 0.000 2.231 1193 G HA2 -0.166 3.794 3.960 0.000 0.000 0.206 1193 G HA3 -0.166 3.794 3.960 0.000 0.000 0.206 1193 G C -0.349 174.325 174.900 -0.377 0.000 0.996 1193 G CA -0.127 44.837 45.100 -0.226 0.000 0.645 1193 G HN 0.665 nan 8.290 nan 0.000 0.498 1194 D N 0.531 120.806 120.400 -0.208 0.000 2.414 1194 D HA 0.493 5.133 4.640 0.000 0.000 0.242 1194 D C 0.239 176.401 176.300 -0.229 0.000 1.129 1194 D CA 0.217 54.143 54.000 -0.123 0.000 0.885 1194 D CB 0.334 41.221 40.800 0.144 0.000 1.198 1194 D HN 0.062 nan 8.370 nan 0.000 0.437 1195 F N 1.656 121.707 119.950 0.168 0.000 2.404 1195 F HA 0.374 4.901 4.527 -0.000 0.000 0.345 1195 F C 0.932 176.894 175.800 0.271 0.000 1.110 1195 F CA -0.647 57.441 58.000 0.146 0.000 1.130 1195 F CB 0.373 39.399 39.000 0.043 0.000 1.129 1195 F HN 0.174 nan 8.300 nan 0.000 0.500 1196 I N -0.676 120.153 120.570 0.433 0.000 3.466 1196 I HA 0.712 4.882 4.170 0.000 0.000 0.311 1196 I C -1.593 174.803 176.117 0.466 0.000 1.155 1196 I CA -1.351 60.228 61.300 0.465 0.000 0.959 1196 I CB 2.713 40.929 38.000 0.362 0.000 1.332 1196 I HN 0.306 nan 8.210 nan 0.000 0.483 1197 K N 1.578 122.247 120.400 0.449 0.000 2.507 1197 K HA 0.586 4.906 4.320 0.000 0.000 0.251 1197 K C -1.707 175.107 176.600 0.355 0.000 0.943 1197 K CA -0.576 55.938 56.287 0.379 0.000 0.794 1197 K CB 2.638 35.392 32.500 0.423 0.000 1.188 1197 K HN 0.442 nan 8.250 nan 0.000 0.428 1198 L N 3.430 124.785 121.223 0.220 0.000 2.309 1198 L HA 0.505 4.845 4.340 0.000 0.000 0.282 1198 L C -1.456 175.502 176.870 0.146 0.000 1.036 1198 L CA -0.096 54.911 54.840 0.279 0.000 0.806 1198 L CB 0.504 42.703 42.059 0.235 0.000 1.220 1198 L HN 0.511 nan 8.230 nan 0.000 0.429 1199 Y N 2.667 123.119 120.300 0.252 0.000 2.634 1199 Y HA 0.703 5.254 4.550 0.000 0.000 0.340 1199 Y C -0.520 175.434 175.900 0.090 0.000 1.058 1199 Y CA -0.769 57.432 58.100 0.167 0.000 1.081 1199 Y CB 2.166 40.696 38.460 0.116 0.000 1.295 1199 Y HN 0.376 nan 8.280 nan 0.000 0.487 1200 V N -0.080 119.926 119.914 0.153 0.000 2.525 1200 V HA 0.611 4.731 4.120 0.000 0.000 0.299 1200 V C -0.914 175.205 176.094 0.042 0.000 1.034 1200 V CA -0.568 61.638 62.300 -0.156 0.000 0.863 1200 V CB 1.360 32.884 31.823 -0.499 0.000 0.999 1200 V HN 0.716 nan 8.190 nan 0.000 0.423 1201 S N 6.137 121.830 115.700 -0.012 0.000 2.510 1201 S HA 0.598 5.068 4.470 0.000 0.000 0.279 1201 S C -0.877 173.824 174.600 0.169 0.000 1.284 1201 S CA 0.112 58.345 58.200 0.055 0.000 1.059 1201 S CB 0.102 63.297 63.200 -0.007 0.000 0.901 1201 S HN 0.993 nan 8.310 nan 0.000 0.491 1202 Y N 2.755 123.099 120.300 0.073 0.000 2.390 1202 Y HA 0.275 4.825 4.550 0.000 0.000 0.324 1202 Y C 0.126 176.106 175.900 0.133 0.000 1.151 1202 Y CA -0.940 57.213 58.100 0.088 0.000 1.053 1202 Y CB 0.874 39.383 38.460 0.082 0.000 1.277 1202 Y HN 0.745 nan 8.280 nan 0.000 0.432 1203 N N 3.848 122.342 118.700 -0.342 0.000 2.693 1203 N HA -0.276 4.464 4.740 0.000 0.000 0.249 1203 N C -0.375 175.095 175.510 -0.066 0.000 1.119 1203 N CA 1.602 54.500 53.050 -0.253 0.000 0.717 1203 N CB -0.812 37.519 38.487 -0.260 0.000 1.071 1203 N HN 0.794 nan 8.380 nan 0.000 0.555 1204 N N -2.069 116.608 118.700 -0.039 0.000 2.882 1204 N HA -0.179 4.561 4.740 0.000 0.000 0.249 1204 N C -1.367 174.125 175.510 -0.031 0.000 1.079 1204 N CA 1.405 54.438 53.050 -0.028 0.000 0.800 1204 N CB -1.606 36.860 38.487 -0.035 0.000 1.124 1204 N HN 0.752 nan 8.380 nan 0.000 0.557 1205 N N 0.407 119.090 118.700 -0.028 0.000 2.509 1205 N HA 0.374 5.114 4.740 0.000 0.000 0.280 1205 N C -1.134 174.239 175.510 -0.229 0.000 1.306 1205 N CA -0.672 52.287 53.050 -0.152 0.000 0.782 1205 N CB 1.559 39.904 38.487 -0.236 0.000 1.493 1205 N HN -0.009 nan 8.380 nan 0.000 0.498 1206 E N 0.655 120.684 120.200 -0.284 0.000 2.145 1206 E HA 0.266 4.616 4.350 0.000 0.000 0.270 1206 E C -1.286 175.249 176.600 -0.107 0.000 0.906 1206 E CA -0.440 55.882 56.400 -0.129 0.000 0.761 1206 E CB 1.142 30.759 29.700 -0.138 0.000 1.116 1206 E HN 0.444 nan 8.360 nan 0.000 0.408 1207 H N 1.576 120.809 119.070 0.273 0.000 2.476 1207 H HA 0.234 4.790 4.556 0.000 0.000 0.328 1207 H C -0.034 175.349 175.328 0.092 0.000 1.073 1207 H CA -0.783 55.382 56.048 0.195 0.000 1.229 1207 H CB 1.062 30.876 29.762 0.087 0.000 1.432 1207 H HN 0.335 nan 8.280 nan 0.000 0.477 1208 I N 3.921 124.485 120.570 -0.011 0.000 2.648 1208 I HA -0.009 4.161 4.170 0.000 0.000 0.284 1208 I C -0.279 175.775 176.117 -0.104 0.000 1.153 1208 I CA 0.088 61.135 61.300 -0.422 0.000 1.426 1208 I CB 0.512 38.297 38.000 -0.358 0.000 1.381 1208 I HN 0.355 nan 8.210 nan 0.000 0.571 1209 V N 7.267 127.128 119.914 -0.088 0.000 2.394 1209 V HA 0.838 4.958 4.120 0.000 0.000 0.282 1209 V C 0.530 176.664 176.094 0.067 0.000 1.031 1209 V CA -0.181 62.147 62.300 0.046 0.000 0.881 1209 V CB 1.004 32.894 31.823 0.112 0.000 0.982 1209 V HN 1.010 nan 8.190 nan 0.000 0.451 1210 G N 3.068 111.929 108.800 0.101 0.000 2.554 1210 G HA2 0.503 4.463 3.960 0.000 0.000 0.306 1210 G HA3 0.503 4.463 3.960 0.000 0.000 0.306 1210 G C -2.350 172.648 174.900 0.164 0.000 1.320 1210 G CA -0.523 44.662 45.100 0.143 0.000 0.800 1210 G HN 0.534 nan 8.290 nan 0.000 0.481 1211 Y N 1.009 121.333 120.300 0.040 0.000 2.338 1211 Y HA 0.665 5.215 4.550 0.000 0.000 0.333 1211 Y C -2.622 173.170 175.900 -0.181 0.000 0.968 1211 Y CA -2.571 55.510 58.100 -0.032 0.000 1.123 1211 Y CB 2.436 40.944 38.460 0.081 0.000 1.165 1211 Y HN 0.369 nan 8.280 nan 0.000 0.452 1212 P HA 0.081 nan 4.420 nan 0.000 0.269 1212 P C 0.487 177.159 177.300 -1.046 0.000 1.215 1212 P CA -0.006 62.548 63.100 -0.909 0.000 0.780 1212 P CB 0.937 32.040 31.700 -0.995 0.000 0.898 1213 K N 1.159 121.121 120.400 -0.731 0.000 2.089 1213 K HA -0.205 4.115 4.320 0.000 0.000 0.210 1213 K C 0.070 176.527 176.600 -0.238 0.000 1.048 1213 K CA 1.777 57.800 56.287 -0.440 0.000 0.926 1213 K CB -0.097 32.278 32.500 -0.210 0.000 0.714 1213 K HN 0.467 nan 8.250 nan 0.000 0.448 1214 D N -0.145 120.095 120.400 -0.267 0.000 2.945 1214 D HA 0.158 4.798 4.640 0.000 0.000 0.366 1214 D C -0.246 175.961 176.300 -0.156 0.000 1.352 1214 D CA -0.061 53.871 54.000 -0.114 0.000 0.810 1214 D CB 0.712 41.490 40.800 -0.036 0.000 1.170 1214 D HN 0.276 nan 8.370 nan 0.000 0.461 1215 G N 0.497 109.064 108.800 -0.388 0.000 2.684 1215 G HA2 -0.006 3.955 3.960 0.000 0.000 0.255 1215 G HA3 -0.006 3.955 3.960 0.000 0.000 0.255 1215 G C 0.591 175.518 174.900 0.046 0.000 1.219 1215 G CA -0.285 44.651 45.100 -0.272 0.000 0.901 1215 G HN 0.080 nan 8.290 nan 0.000 0.548 1216 N N -0.322 118.369 118.700 -0.014 0.000 2.353 1216 N HA 0.372 5.112 4.740 0.000 0.000 0.248 1216 N C -0.107 175.366 175.510 -0.061 0.000 1.240 1216 N CA 1.079 54.088 53.050 -0.069 0.000 0.862 1216 N CB 0.689 39.095 38.487 -0.135 0.000 1.086 1216 N HN 0.836 nan 8.380 nan 0.000 0.453 1217 A N 2.452 125.153 122.820 -0.198 0.000 2.555 1217 A HA 0.476 4.796 4.320 0.000 0.000 0.297 1217 A C -1.289 176.124 177.584 -0.285 0.000 1.060 1217 A CA -0.720 51.177 52.037 -0.233 0.000 0.710 1217 A CB 0.261 19.202 19.000 -0.098 0.000 1.282 1217 A HN 0.450 nan 8.150 nan 0.000 0.399 1218 F N 1.792 121.600 119.950 -0.237 0.000 2.399 1218 F HA 0.372 4.899 4.527 0.000 0.000 0.342 1218 F C 1.568 177.254 175.800 -0.190 0.000 1.106 1218 F CA 0.720 58.550 58.000 -0.283 0.000 1.196 1218 F CB 0.732 39.365 39.000 -0.611 0.000 1.163 1218 F HN 0.807 nan 8.300 nan 0.000 0.547 1219 N N 2.542 121.281 118.700 0.066 0.000 2.666 1219 N HA -0.343 4.397 4.740 0.000 0.000 0.248 1219 N C 0.167 175.679 175.510 0.003 0.000 1.118 1219 N CA 1.264 54.324 53.050 0.018 0.000 0.722 1219 N CB -1.060 37.423 38.487 -0.006 0.000 1.050 1219 N HN 0.761 nan 8.380 nan 0.000 0.550 1220 N N -2.746 115.954 118.700 -0.000 0.000 2.900 1220 N HA -0.242 4.498 4.740 0.000 0.000 0.240 1220 N C 0.375 175.887 175.510 0.004 0.000 0.953 1220 N CA 1.687 54.741 53.050 0.006 0.000 0.950 1220 N CB -1.099 37.398 38.487 0.017 0.000 1.102 1220 N HN 0.551 nan 8.380 nan 0.000 0.593 1221 L N -0.631 120.587 121.223 -0.009 0.000 2.775 1221 L HA 0.184 4.524 4.340 0.000 0.000 0.175 1221 L C -0.280 176.563 176.870 -0.044 0.000 1.110 1221 L CA -0.215 54.618 54.840 -0.012 0.000 0.862 1221 L CB -0.198 41.866 42.059 0.008 0.000 1.381 1221 L HN -0.208 nan 8.230 nan 0.000 0.499 1222 D N 2.927 123.313 120.400 -0.023 0.000 2.380 1222 D HA 0.079 4.719 4.640 0.000 0.000 0.270 1222 D C -0.172 176.105 176.300 -0.039 0.000 1.363 1222 D CA 0.403 54.404 54.000 0.001 0.000 1.057 1222 D CB 0.069 40.902 40.800 0.055 0.000 1.096 1222 D HN 0.046 nan 8.370 nan 0.000 0.524 1223 R N 2.546 122.933 120.500 -0.187 0.000 2.316 1223 R HA 0.288 4.628 4.340 0.000 0.000 0.314 1223 R C 0.240 176.405 176.300 -0.225 0.000 1.069 1223 R CA -0.452 55.382 56.100 -0.444 0.000 0.959 1223 R CB 0.762 30.415 30.300 -1.079 0.000 0.987 1223 R HN 0.376 nan 8.270 nan 0.000 0.446 1224 I N 4.764 125.277 120.570 -0.095 0.000 2.533 1224 I HA -0.005 4.165 4.170 0.000 0.000 0.284 1224 I C 0.424 176.634 176.117 0.155 0.000 1.109 1224 I CA -0.001 61.319 61.300 0.033 0.000 1.412 1224 I CB 0.420 38.385 38.000 -0.058 0.000 1.396 1224 I HN 0.352 nan 8.210 nan 0.000 0.543 1225 L N 7.459 128.775 121.223 0.154 0.000 2.380 1225 L HA 0.341 4.681 4.340 0.000 0.000 0.273 1225 L C 0.252 177.220 176.870 0.163 0.000 1.138 1225 L CA -0.443 54.498 54.840 0.169 0.000 0.832 1225 L CB 0.207 42.349 42.059 0.138 0.000 1.124 1225 L HN 0.520 nan 8.230 nan 0.000 0.454 1226 R N 2.495 123.070 120.500 0.124 0.000 2.664 1226 R HA 0.587 4.927 4.340 0.000 0.000 0.286 1226 R C -1.002 175.363 176.300 0.108 0.000 0.967 1226 R CA -0.882 55.283 56.100 0.109 0.000 0.933 1226 R CB 2.087 32.418 30.300 0.052 0.000 1.146 1226 R HN 0.263 nan 8.270 nan 0.000 0.468 1227 V N 1.145 121.106 119.914 0.078 0.000 2.398 1227 V HA 0.321 4.441 4.120 0.000 0.000 0.286 1227 V C 1.157 177.282 176.094 0.051 0.000 1.026 1227 V CA 0.059 62.380 62.300 0.036 0.000 0.868 1227 V CB 1.313 33.089 31.823 -0.078 0.000 0.982 1227 V HN 1.032 nan 8.190 nan 0.000 0.443 1228 G N 4.008 112.887 108.800 0.130 0.000 2.269 1228 G HA2 -0.346 3.614 3.960 0.000 0.000 0.277 1228 G HA3 -0.346 3.614 3.960 0.000 0.000 0.277 1228 G C 0.083 175.060 174.900 0.129 0.000 1.008 1228 G CA 0.618 45.828 45.100 0.184 0.000 0.774 1228 G HN 1.014 nan 8.290 nan 0.000 0.511 1229 Y N 1.661 121.971 120.300 0.015 0.000 2.770 1229 Y HA 0.301 4.851 4.550 0.000 0.000 0.342 1229 Y C 0.682 176.579 175.900 -0.004 0.000 1.221 1229 Y CA 0.057 58.153 58.100 -0.007 0.000 1.560 1229 Y CB -0.106 38.338 38.460 -0.026 0.000 1.213 1229 Y HN 0.505 nan 8.280 nan 0.000 0.525 1230 N N 4.301 122.748 118.700 -0.422 0.000 2.443 1230 N HA 0.736 5.477 4.740 0.000 0.000 0.269 1230 N C -1.732 173.479 175.510 -0.498 0.000 0.985 1230 N CA -0.744 52.122 53.050 -0.307 0.000 0.921 1230 N CB 1.994 40.401 38.487 -0.134 0.000 1.195 1230 N HN 0.582 nan 8.380 nan 0.000 0.492 1231 A N 2.289 124.882 122.820 -0.377 0.000 2.456 1231 A HA 0.510 4.830 4.320 0.000 0.000 0.288 1231 A C -2.759 174.764 177.584 -0.101 0.000 1.042 1231 A CA -1.219 50.652 52.037 -0.277 0.000 0.738 1231 A CB 1.122 19.931 19.000 -0.317 0.000 1.266 1231 A HN 0.654 nan 8.150 nan 0.000 0.407 1232 P HA 0.307 nan 4.420 nan 0.000 0.264 1232 P C 0.923 178.211 177.300 -0.019 0.000 1.229 1232 P CA 1.558 64.635 63.100 -0.037 0.000 0.780 1232 P CB 0.630 32.308 31.700 -0.035 0.000 0.808 1233 G N 3.255 112.049 108.800 -0.010 0.000 2.175 1233 G HA2 -0.177 3.783 3.960 0.000 0.000 0.244 1233 G HA3 -0.177 3.783 3.960 0.000 0.000 0.244 1233 G C -0.020 174.878 174.900 -0.003 0.000 0.982 1233 G CA -0.455 44.643 45.100 -0.003 0.000 0.641 1233 G HN 0.506 nan 8.290 nan 0.000 0.527 1234 I N 1.776 122.347 120.570 0.001 0.000 2.355 1234 I HA 0.368 4.538 4.170 0.000 0.000 0.288 1234 I C -2.082 174.008 176.117 -0.045 0.000 0.999 1234 I CA -3.167 58.127 61.300 -0.009 0.000 1.163 1234 I CB 0.848 38.880 38.000 0.053 0.000 1.316 1234 I HN -0.160 nan 8.210 nan 0.000 0.454 1235 P HA 0.227 nan 4.420 nan 0.000 0.268 1235 P C -0.613 176.447 177.300 -0.401 0.000 1.204 1235 P CA -0.257 62.738 63.100 -0.176 0.000 0.768 1235 P CB 0.746 32.366 31.700 -0.134 0.000 0.842 1236 L N 4.559 125.626 121.223 -0.260 0.000 2.329 1236 L HA 0.441 4.781 4.340 0.000 0.000 0.279 1236 L C -1.222 175.578 176.870 -0.116 0.000 1.014 1236 L CA -0.630 54.054 54.840 -0.259 0.000 0.814 1236 L CB 0.722 42.768 42.059 -0.022 0.000 1.257 1236 L HN 0.230 nan 8.230 nan 0.000 0.424 1237 Y N 4.219 124.561 120.300 0.070 0.000 2.353 1237 Y HA 0.424 4.974 4.550 0.000 0.000 0.340 1237 Y C 0.466 176.451 175.900 0.142 0.000 0.972 1237 Y CA -0.842 57.333 58.100 0.126 0.000 1.157 1237 Y CB 1.120 39.679 38.460 0.165 0.000 1.157 1237 Y HN 0.553 nan 8.280 nan 0.000 0.495 1238 K N 0.554 121.147 120.400 0.320 0.000 2.502 1238 K HA 0.106 4.426 4.320 0.000 0.000 0.211 1238 K C 0.191 176.945 176.600 0.257 0.000 1.259 1238 K CA -0.349 56.092 56.287 0.257 0.000 0.983 1238 K CB 0.697 33.340 32.500 0.238 0.000 1.054 1238 K HN 0.269 nan 8.250 nan 0.000 0.572 1239 K N 2.212 122.724 120.400 0.186 0.000 2.366 1239 K HA 0.059 4.379 4.320 0.000 0.000 0.279 1239 K C -0.623 176.086 176.600 0.180 0.000 1.098 1239 K CA 0.448 56.687 56.287 -0.081 0.000 1.087 1239 K CB 0.103 32.396 32.500 -0.345 0.000 0.901 1239 K HN 0.039 nan 8.250 nan 0.000 0.463 1240 M N 3.041 122.776 119.600 0.226 0.000 2.644 1240 M HA 0.236 4.716 4.480 0.000 0.000 0.316 1240 M C -0.645 175.868 176.300 0.354 0.000 1.200 1240 M CA -0.681 54.783 55.300 0.273 0.000 0.944 1240 M CB 2.002 34.721 32.600 0.198 0.000 1.691 1240 M HN 0.546 nan 8.290 nan 0.000 0.471 1241 E N 1.152 121.522 120.200 0.283 0.000 2.218 1241 E HA 0.587 4.938 4.350 0.000 0.000 0.263 1241 E C -1.570 175.055 176.600 0.042 0.000 0.879 1241 E CA -0.608 55.875 56.400 0.138 0.000 0.762 1241 E CB 1.627 31.470 29.700 0.239 0.000 1.166 1241 E HN 0.748 nan 8.360 nan 0.000 0.415 1242 A N 4.079 126.880 122.820 -0.031 0.000 2.302 1242 A HA 0.553 4.873 4.320 0.000 0.000 0.295 1242 A C -0.289 177.255 177.584 -0.067 0.000 1.235 1242 A CA -0.396 51.610 52.037 -0.053 0.000 0.876 1242 A CB 0.203 19.132 19.000 -0.119 0.000 1.133 1242 A HN 0.488 nan 8.150 nan 0.000 0.533 1243 V N -0.227 119.671 119.914 -0.026 0.000 3.130 1243 V HA 0.811 4.931 4.120 0.000 0.000 0.310 1243 V C -0.596 175.495 176.094 -0.006 0.000 1.158 1243 V CA -1.206 61.081 62.300 -0.022 0.000 1.029 1243 V CB 2.026 33.853 31.823 0.007 0.000 1.057 1243 V HN 0.697 nan 8.190 nan 0.000 0.436 1244 K N 1.256 121.650 120.400 -0.010 0.000 2.478 1244 K HA 0.642 4.962 4.320 0.000 0.000 0.236 1244 K C -0.234 176.369 176.600 0.005 0.000 1.021 1244 K CA -0.280 56.007 56.287 -0.001 0.000 1.010 1244 K CB 0.460 32.953 32.500 -0.011 0.000 1.331 1244 K HN 0.789 nan 8.250 nan 0.000 0.470 1245 L N 2.614 123.849 121.223 0.019 0.000 2.416 1245 L HA 0.242 4.582 4.340 0.000 0.000 0.216 1245 L C 0.189 177.068 176.870 0.015 0.000 1.098 1245 L CA 0.227 55.085 54.840 0.030 0.000 0.840 1245 L CB 0.024 42.125 42.059 0.069 0.000 0.981 1245 L HN 0.504 nan 8.230 nan 0.000 0.462 1246 R N -2.744 117.756 120.500 0.000 0.000 2.716 1246 R HA 0.406 4.746 4.340 0.000 0.000 0.271 1246 R C -1.261 175.029 176.300 -0.017 0.000 1.028 1246 R CA -0.986 55.107 56.100 -0.011 0.000 0.883 1246 R CB 0.236 30.526 30.300 -0.016 0.000 1.250 1246 R HN -0.199 nan 8.270 nan 0.000 0.465 1247 D N 0.818 121.207 120.400 -0.018 0.000 3.241 1247 D HA -0.108 4.532 4.640 0.000 0.000 0.248 1247 D C 0.215 176.512 176.300 -0.005 0.000 1.093 1247 D CA 0.478 54.468 54.000 -0.017 0.000 0.940 1247 D CB -0.095 40.686 40.800 -0.032 0.000 0.980 1247 D HN 0.682 nan 8.370 nan 0.000 0.421 1248 L N 0.618 121.834 121.223 -0.011 0.000 2.275 1248 L HA -0.113 4.227 4.340 0.000 0.000 0.215 1248 L C 2.271 179.142 176.870 0.001 0.000 1.119 1248 L CA 0.921 55.756 54.840 -0.008 0.000 0.790 1248 L CB -0.231 41.806 42.059 -0.036 0.000 0.919 1248 L HN 0.138 nan 8.230 nan 0.000 0.443 1249 K N -0.753 119.639 120.400 -0.014 0.000 2.426 1249 K HA 0.065 4.385 4.320 0.000 0.000 0.193 1249 K C 0.359 176.914 176.600 -0.075 0.000 1.028 1249 K CA 0.247 56.531 56.287 -0.005 0.000 1.047 1249 K CB 0.211 32.738 32.500 0.046 0.000 0.821 1249 K HN 0.156 nan 8.250 nan 0.000 0.513 1250 T N 0.709 115.230 114.554 -0.054 0.000 2.829 1250 T HA 0.215 4.565 4.350 0.000 0.000 0.282 1250 T C -0.572 174.156 174.700 0.048 0.000 0.990 1250 T CA -0.534 61.516 62.100 -0.083 0.000 1.028 1250 T CB 0.630 69.499 68.868 0.002 0.000 0.951 1250 T HN -0.025 nan 8.240 nan 0.000 0.460 1251 Y N 2.770 123.165 120.300 0.159 0.000 2.735 1251 Y HA 0.350 4.900 4.550 0.000 0.000 0.354 1251 Y C 1.285 177.331 175.900 0.244 0.000 1.288 1251 Y CA -1.252 56.932 58.100 0.141 0.000 1.836 1251 Y CB -1.215 37.287 38.460 0.070 0.000 1.920 1251 Y HN 0.561 nan 8.280 nan 0.000 0.438 1252 S N -0.984 114.879 115.700 0.271 0.000 2.715 1252 S HA 0.932 5.402 4.470 0.000 0.000 0.307 1252 S C -0.674 174.024 174.600 0.164 0.000 1.119 1252 S CA -0.856 57.459 58.200 0.192 0.000 0.937 1252 S CB 2.336 65.503 63.200 -0.055 0.000 1.150 1252 S HN -0.005 nan 8.310 nan 0.000 0.521 1253 V N 0.663 120.710 119.914 0.221 0.000 3.007 1253 V HA 0.578 4.698 4.120 0.000 0.000 0.311 1253 V C -1.355 174.876 176.094 0.228 0.000 1.120 1253 V CA -0.734 61.681 62.300 0.193 0.000 0.980 1253 V CB 2.128 34.070 31.823 0.199 0.000 1.033 1253 V HN 0.924 nan 8.190 nan 0.000 0.429 1254 Q N 2.458 122.344 119.800 0.144 0.000 2.310 1254 Q HA 0.684 5.024 4.340 0.000 0.000 0.270 1254 Q C -1.403 174.671 176.000 0.124 0.000 1.025 1254 Q CA -0.112 55.772 55.803 0.135 0.000 0.772 1254 Q CB 2.203 30.971 28.738 0.049 0.000 1.253 1254 Q HN 0.605 nan 8.270 nan 0.000 0.450 1255 L N 2.264 123.575 121.223 0.146 0.000 2.282 1255 L HA 0.544 4.884 4.340 0.000 0.000 0.288 1255 L C -0.240 176.677 176.870 0.078 0.000 1.033 1255 L CA -0.618 54.278 54.840 0.094 0.000 0.807 1255 L CB 1.303 43.397 42.059 0.058 0.000 1.209 1255 L HN 0.366 nan 8.230 nan 0.000 0.423 1256 K N 3.466 123.912 120.400 0.077 0.000 2.206 1256 K HA 0.555 4.875 4.320 0.000 0.000 0.264 1256 K C -1.320 175.261 176.600 -0.032 0.000 0.967 1256 K CA -0.756 55.550 56.287 0.030 0.000 0.844 1256 K CB 1.666 34.188 32.500 0.036 0.000 1.099 1256 K HN 0.358 nan 8.250 nan 0.000 0.441 1257 L N 4.562 125.736 121.223 -0.083 0.000 2.325 1257 L HA 0.472 4.812 4.340 0.000 0.000 0.278 1257 L C -1.650 175.092 176.870 -0.213 0.000 1.023 1257 L CA -0.217 54.600 54.840 -0.038 0.000 0.811 1257 L CB 0.860 42.954 42.059 0.059 0.000 1.249 1257 L HN 0.607 nan 8.230 nan 0.000 0.431 1258 Y N 1.446 121.785 120.300 0.065 0.000 2.598 1258 Y HA 0.526 5.076 4.550 0.000 0.000 0.340 1258 Y C -0.296 175.537 175.900 -0.112 0.000 1.038 1258 Y CA -0.848 57.241 58.100 -0.018 0.000 1.100 1258 Y CB 1.461 39.887 38.460 -0.056 0.000 1.281 1258 Y HN 0.713 nan 8.280 nan 0.000 0.488 1259 D N -0.941 119.414 120.400 -0.075 0.000 2.442 1259 D HA 0.085 4.725 4.640 0.000 0.000 0.254 1259 D C 0.514 176.643 176.300 -0.285 0.000 1.069 1259 D CA -0.552 53.103 54.000 -0.575 0.000 1.017 1259 D CB 0.656 40.995 40.800 -0.768 0.000 1.172 1259 D HN 0.645 nan 8.370 nan 0.000 0.561 1260 D N 0.242 120.474 120.400 -0.280 0.000 2.203 1260 D HA -0.254 4.386 4.640 0.000 0.000 0.199 1260 D C 0.801 177.077 176.300 -0.040 0.000 0.997 1260 D CA 1.252 55.246 54.000 -0.011 0.000 0.863 1260 D CB -0.200 40.678 40.800 0.131 0.000 0.928 1260 D HN 0.297 nan 8.370 nan 0.000 0.458 1261 K N 0.055 120.412 120.400 -0.072 0.000 2.437 1261 K HA 0.061 4.381 4.320 0.000 0.000 0.198 1261 K C 0.167 176.730 176.600 -0.062 0.000 1.024 1261 K CA -0.286 55.971 56.287 -0.050 0.000 1.148 1261 K CB -0.112 32.369 32.500 -0.031 0.000 0.860 1261 K HN 0.119 nan 8.250 nan 0.000 0.515 1262 N N 0.482 119.133 118.700 -0.082 0.000 2.747 1262 N HA -0.174 4.566 4.740 0.000 0.000 0.249 1262 N C -0.403 175.165 175.510 0.096 0.000 1.107 1262 N CA 0.947 53.929 53.050 -0.115 0.000 0.707 1262 N CB -1.133 37.179 38.487 -0.292 0.000 1.054 1262 N HN 0.344 nan 8.380 nan 0.000 0.555 1263 A N -0.095 122.805 122.820 0.133 0.000 2.282 1263 A HA 0.612 4.932 4.320 0.000 0.000 0.319 1263 A C 0.514 178.217 177.584 0.199 0.000 1.121 1263 A CA -0.182 51.940 52.037 0.142 0.000 0.836 1263 A CB 1.277 20.301 19.000 0.041 0.000 1.146 1263 A HN 0.177 nan 8.150 nan 0.000 0.494 1264 S N 0.225 115.979 115.700 0.090 0.000 2.489 1264 S HA 0.397 4.867 4.470 0.000 0.000 0.277 1264 S C 0.679 175.273 174.600 -0.010 0.000 1.230 1264 S CA -0.590 57.568 58.200 -0.070 0.000 1.053 1264 S CB -0.093 63.064 63.200 -0.073 0.000 0.955 1264 S HN 0.537 nan 8.310 nan 0.000 0.488 1265 L N 4.558 125.759 121.223 -0.037 0.000 2.567 1265 L HA 0.350 4.690 4.340 0.000 0.000 0.225 1265 L C 1.291 178.177 176.870 0.027 0.000 1.119 1265 L CA 0.355 55.195 54.840 0.000 0.000 0.871 1265 L CB -0.825 41.244 42.059 0.017 0.000 1.036 1265 L HN 0.972 nan 8.230 nan 0.000 0.459 1266 G N 0.162 109.002 108.800 0.066 0.000 2.525 1266 G HA2 -0.125 3.835 3.960 0.000 0.000 0.685 1266 G HA3 -0.125 3.835 3.960 0.000 0.000 0.685 1266 G C -0.864 174.092 174.900 0.093 0.000 1.290 1266 G CA -0.991 44.200 45.100 0.151 0.000 0.915 1266 G HN -0.070 nan 8.290 nan 0.000 0.548 1267 L N -0.172 121.073 121.223 0.037 0.000 2.418 1267 L HA 0.482 4.822 4.340 0.000 0.000 0.265 1267 L C 1.040 177.981 176.870 0.118 0.000 1.143 1267 L CA -0.945 53.908 54.840 0.022 0.000 0.809 1267 L CB 1.230 43.190 42.059 -0.165 0.000 1.124 1267 L HN 0.456 nan 8.230 nan 0.000 0.456 1268 V N 2.046 122.027 119.914 0.111 0.000 2.530 1268 V HA 0.576 4.696 4.120 0.000 0.000 0.282 1268 V C 0.694 176.995 176.094 0.344 0.000 1.048 1268 V CA 0.346 62.747 62.300 0.169 0.000 0.997 1268 V CB 0.714 32.551 31.823 0.022 0.000 0.987 1268 V HN 1.023 nan 8.190 nan 0.000 0.477 1269 G N 3.813 112.843 108.800 0.383 0.000 2.793 1269 G HA2 0.731 4.691 3.960 0.000 0.000 0.248 1269 G HA3 0.731 4.691 3.960 0.000 0.000 0.248 1269 G C -0.521 174.619 174.900 0.401 0.000 1.198 1269 G CA 0.278 45.592 45.100 0.356 0.000 0.865 1269 G HN 0.765 nan 8.290 nan 0.000 0.534 1270 T N -2.880 111.841 114.554 0.278 0.000 2.864 1270 T HA 0.750 5.100 4.350 0.000 0.000 0.289 1270 T C -1.323 173.464 174.700 0.146 0.000 1.082 1270 T CA -0.657 61.572 62.100 0.216 0.000 1.009 1270 T CB 2.433 71.391 68.868 0.151 0.000 1.234 1270 T HN 0.905 nan 8.240 nan 0.000 0.526 1271 H N 0.752 119.790 119.070 -0.053 0.000 3.029 1271 H HA 0.388 4.944 4.556 0.000 0.000 0.358 1271 H C -1.503 173.632 175.328 -0.321 0.000 1.129 1271 H CA -0.541 55.347 56.048 -0.267 0.000 1.230 1271 H CB 2.099 31.600 29.762 -0.435 0.000 1.827 1271 H HN 0.780 nan 8.280 nan 0.000 0.530 1272 N N 2.149 120.728 118.700 -0.203 0.000 2.455 1272 N HA 0.474 5.214 4.740 0.000 0.000 0.280 1272 N C -0.185 175.264 175.510 -0.101 0.000 1.055 1272 N CA 0.632 53.613 53.050 -0.116 0.000 0.961 1272 N CB 1.341 39.735 38.487 -0.155 0.000 1.121 1272 N HN 0.897 nan 8.380 nan 0.000 0.476 1273 G N 1.840 110.616 108.800 -0.041 0.000 2.325 1273 G HA2 0.212 4.173 3.960 0.000 0.000 0.295 1273 G HA3 0.212 4.173 3.960 0.000 0.000 0.295 1273 G C -1.966 173.001 174.900 0.112 0.000 1.274 1273 G CA -0.451 44.675 45.100 0.043 0.000 0.857 1273 G HN 0.507 nan 8.290 nan 0.000 0.499 1274 Q N -1.139 118.754 119.800 0.156 0.000 2.416 1274 Q HA 0.846 5.186 4.340 0.000 0.000 0.279 1274 Q C -0.679 175.323 176.000 0.003 0.000 1.101 1274 Q CA -0.513 55.322 55.803 0.055 0.000 0.830 1274 Q CB 2.774 31.531 28.738 0.033 0.000 1.402 1274 Q HN 0.521 nan 8.270 nan 0.000 0.445 1275 I N 1.526 122.068 120.570 -0.047 0.000 2.560 1275 I HA 0.533 4.703 4.170 0.000 0.000 0.283 1275 I C 0.251 176.371 176.117 0.006 0.000 1.115 1275 I CA -0.260 60.996 61.300 -0.074 0.000 1.066 1275 I CB 1.315 39.222 38.000 -0.155 0.000 1.221 1275 I HN 0.767 nan 8.210 nan 0.000 0.450 1276 G N 5.916 114.713 108.800 -0.006 0.000 2.539 1276 G HA2 -0.291 3.669 3.960 0.000 0.000 0.256 1276 G HA3 -0.291 3.669 3.960 0.000 0.000 0.256 1276 G C 0.349 175.256 174.900 0.011 0.000 1.233 1276 G CA 0.162 45.269 45.100 0.010 0.000 0.936 1276 G HN 0.617 nan 8.290 nan 0.000 0.571 1277 N N 2.063 120.773 118.700 0.015 0.000 2.449 1277 N HA 0.122 4.862 4.740 0.000 0.000 0.191 1277 N C 0.024 175.541 175.510 0.013 0.000 1.161 1277 N CA 0.688 53.745 53.050 0.011 0.000 0.863 1277 N CB -0.084 38.410 38.487 0.010 0.000 0.980 1277 N HN 0.497 nan 8.380 nan 0.000 0.458 1278 D N 2.299 122.712 120.400 0.022 0.000 2.414 1278 D HA 0.096 4.736 4.640 0.000 0.000 0.242 1278 D C -1.758 174.543 176.300 0.003 0.000 1.129 1278 D CA -0.968 53.044 54.000 0.020 0.000 0.885 1278 D CB 0.658 41.498 40.800 0.067 0.000 1.198 1278 D HN 0.166 nan 8.370 nan 0.000 0.437 1279 P HA -0.069 nan 4.420 nan 0.000 0.271 1279 P C 0.160 177.451 177.300 -0.014 0.000 1.233 1279 P CA -0.449 62.644 63.100 -0.011 0.000 0.789 1279 P CB 0.651 32.342 31.700 -0.014 0.000 0.951 1280 N N 1.942 120.641 118.700 -0.003 0.000 2.412 1280 N HA -0.030 4.710 4.740 0.000 0.000 0.258 1280 N C -0.269 175.243 175.510 0.004 0.000 1.236 1280 N CA 0.549 53.600 53.050 0.002 0.000 0.882 1280 N CB 0.238 38.727 38.487 0.002 0.000 1.066 1280 N HN 0.357 nan 8.380 nan 0.000 0.465 1281 R N 1.456 121.963 120.500 0.011 0.000 2.764 1281 R HA 0.266 4.606 4.340 0.000 0.000 0.270 1281 R C -1.436 174.909 176.300 0.075 0.000 1.014 1281 R CA -0.788 55.341 56.100 0.049 0.000 0.904 1281 R CB 1.372 31.675 30.300 0.004 0.000 1.236 1281 R HN 0.514 nan 8.270 nan 0.000 0.466 1282 D N 2.311 122.795 120.400 0.140 0.000 2.485 1282 D HA 0.257 4.897 4.640 0.000 0.000 0.221 1282 D C -0.272 176.156 176.300 0.214 0.000 1.112 1282 D CA -0.061 54.014 54.000 0.125 0.000 0.911 1282 D CB 0.893 41.755 40.800 0.103 0.000 1.019 1282 D HN 0.232 nan 8.370 nan 0.000 0.516 1283 I N 1.986 122.666 120.570 0.183 0.000 2.519 1283 I HA 0.083 4.253 4.170 0.000 0.000 0.287 1283 I C 0.838 177.101 176.117 0.243 0.000 1.047 1283 I CA -0.546 60.886 61.300 0.220 0.000 1.381 1283 I CB 1.127 39.164 38.000 0.063 0.000 1.417 1283 I HN 0.074 nan 8.210 nan 0.000 0.540 1284 L N 6.593 127.974 121.223 0.264 0.000 2.410 1284 L HA 0.313 4.653 4.340 0.000 0.000 0.273 1284 L C -0.129 176.864 176.870 0.205 0.000 1.152 1284 L CA -0.096 54.886 54.840 0.237 0.000 0.855 1284 L CB 0.268 42.424 42.059 0.161 0.000 1.129 1284 L HN 0.537 nan 8.230 nan 0.000 0.463 1285 I N 0.664 121.359 120.570 0.208 0.000 3.343 1285 I HA 0.908 5.078 4.170 0.000 0.000 0.315 1285 I C -0.577 175.628 176.117 0.146 0.000 1.153 1285 I CA -0.959 60.438 61.300 0.161 0.000 0.952 1285 I CB 1.957 40.068 38.000 0.184 0.000 1.287 1285 I HN 0.449 nan 8.210 nan 0.000 0.472 1286 A N 1.126 123.992 122.820 0.076 0.000 2.343 1286 A HA 0.878 5.198 4.320 0.000 0.000 0.308 1286 A C -0.619 176.998 177.584 0.055 0.000 1.092 1286 A CA -0.299 51.780 52.037 0.071 0.000 0.751 1286 A CB 0.956 19.961 19.000 0.007 0.000 1.203 1286 A HN 1.014 nan 8.150 nan 0.000 0.452 1287 S N 1.400 117.173 115.700 0.122 0.000 2.533 1287 S HA 0.389 4.859 4.470 0.000 0.000 0.271 1287 S C -0.170 174.467 174.600 0.062 0.000 1.143 1287 S CA -0.681 57.554 58.200 0.058 0.000 0.891 1287 S CB 1.157 64.328 63.200 -0.047 0.000 1.105 1287 S HN 0.602 nan 8.310 nan 0.000 0.468 1288 N N 2.219 120.978 118.700 0.098 0.000 2.422 1288 N HA 0.005 4.745 4.740 0.000 0.000 0.181 1288 N C 1.348 176.943 175.510 0.142 0.000 1.080 1288 N CA 0.209 53.384 53.050 0.207 0.000 0.893 1288 N CB -0.108 38.557 38.487 0.297 0.000 0.973 1288 N HN 0.793 nan 8.380 nan 0.000 0.456 1289 W N 1.391 122.576 121.300 -0.190 0.000 2.308 1289 W HA -0.257 4.403 4.660 0.000 0.000 0.301 1289 W C 0.722 177.137 176.519 -0.173 0.000 1.220 1289 W CA 1.043 58.257 57.345 -0.218 0.000 1.240 1289 W CB -0.217 28.981 29.460 -0.437 0.000 1.142 1289 W HN 0.103 nan 8.180 nan 0.000 0.521 1290 Y N -0.613 119.662 120.300 -0.042 0.000 2.465 1290 Y HA -0.190 4.360 4.550 0.000 0.000 0.289 1290 Y C 1.817 177.556 175.900 -0.268 0.000 1.150 1290 Y CA 1.147 59.118 58.100 -0.215 0.000 1.293 1290 Y CB -1.365 36.883 38.460 -0.355 0.000 0.977 1290 Y HN -0.142 nan 8.280 nan 0.000 0.556 1291 F N -0.840 119.175 119.950 0.108 0.000 2.797 1291 F HA 0.040 4.567 4.527 0.000 0.000 0.302 1291 F C 1.583 177.340 175.800 -0.072 0.000 1.130 1291 F CA 0.005 58.021 58.000 0.026 0.000 1.387 1291 F CB -0.246 38.766 39.000 0.020 0.000 1.107 1291 F HN 0.106 nan 8.300 nan 0.000 0.577 1292 N N -0.963 117.712 118.700 -0.042 0.000 2.499 1292 N HA -0.013 4.727 4.740 0.000 0.000 0.182 1292 N C -0.135 175.168 175.510 -0.345 0.000 1.034 1292 N CA 0.566 53.455 53.050 -0.268 0.000 0.882 1292 N CB -0.101 38.047 38.487 -0.565 0.000 1.125 1292 N HN 0.236 nan 8.380 nan 0.000 0.436 1293 H N 0.404 119.321 119.070 -0.255 0.000 2.685 1293 H HA 0.296 4.852 4.556 0.000 0.000 0.286 1293 H C 0.300 175.607 175.328 -0.035 0.000 1.102 1293 H CA -0.210 55.759 56.048 -0.133 0.000 1.254 1293 H CB 1.468 31.167 29.762 -0.105 0.000 1.397 1293 H HN 0.011 nan 8.280 nan 0.000 0.473 1294 L N 2.118 123.370 121.223 0.047 0.000 3.406 1294 L HA 0.198 4.538 4.340 0.000 0.000 0.309 1294 L C 1.553 178.436 176.870 0.021 0.000 1.159 1294 L CA 0.532 55.401 54.840 0.048 0.000 1.122 1294 L CB 0.339 42.442 42.059 0.072 0.000 1.633 1294 L HN 0.390 nan 8.230 nan 0.000 0.607 1295 K N 0.013 120.417 120.400 0.006 0.000 2.444 1295 K HA 0.092 4.412 4.320 0.000 0.000 0.193 1295 K C -0.396 176.204 176.600 0.000 0.000 1.024 1295 K CA -0.114 56.171 56.287 -0.003 0.000 1.077 1295 K CB 0.097 32.588 32.500 -0.015 0.000 0.833 1295 K HN 0.294 nan 8.250 nan 0.000 0.517 1296 D N 1.363 121.770 120.400 0.012 0.000 2.368 1296 D HA -0.020 4.620 4.640 0.000 0.000 0.240 1296 D C 0.543 176.842 176.300 -0.001 0.000 1.169 1296 D CA 0.154 54.162 54.000 0.014 0.000 0.906 1296 D CB 1.208 42.031 40.800 0.039 0.000 1.187 1296 D HN 0.054 nan 8.370 nan 0.000 0.435 1297 K N 0.139 120.538 120.400 -0.002 0.000 2.103 1297 K HA 0.058 4.378 4.320 0.000 0.000 0.204 1297 K C 0.585 177.169 176.600 -0.027 0.000 1.052 1297 K CA 0.746 57.028 56.287 -0.010 0.000 0.945 1297 K CB 0.207 32.707 32.500 -0.000 0.000 0.722 1297 K HN 0.378 nan 8.250 nan 0.000 0.443 1298 I N 1.284 121.838 120.570 -0.027 0.000 2.406 1298 I HA 0.094 4.264 4.170 0.000 0.000 0.290 1298 I C 0.528 176.613 176.117 -0.052 0.000 0.999 1298 I CA -0.234 61.034 61.300 -0.053 0.000 1.124 1298 I CB 1.882 39.856 38.000 -0.043 0.000 1.289 1298 I HN 0.051 nan 8.210 nan 0.000 0.441 1299 L N 3.866 125.027 121.223 -0.103 0.000 2.588 1299 L HA 0.379 4.719 4.340 0.000 0.000 0.194 1299 L C 1.423 178.203 176.870 -0.150 0.000 1.070 1299 L CA 1.020 55.804 54.840 -0.092 0.000 0.852 1299 L CB 0.656 42.646 42.059 -0.114 0.000 1.199 1299 L HN 0.907 nan 8.230 nan 0.000 0.486 1300 G N -0.728 107.876 108.800 -0.327 0.000 2.231 1300 G HA2 -0.262 3.698 3.960 0.000 0.000 0.206 1300 G HA3 -0.262 3.698 3.960 0.000 0.000 0.206 1300 G C 0.742 175.227 174.900 -0.692 0.000 0.996 1300 G CA 0.195 45.047 45.100 -0.413 0.000 0.645 1300 G HN 0.454 nan 8.290 nan 0.000 0.498 1301 C N 0.305 119.110 119.300 -0.826 0.000 2.906 1301 C HA 0.556 5.016 4.460 0.000 0.000 0.274 1301 C C 0.099 174.785 174.990 -0.508 0.000 1.257 1301 C CA -0.900 57.666 59.018 -0.753 0.000 1.695 1301 C CB -0.619 26.548 27.740 -0.955 0.000 1.958 1301 C HN 0.257 nan 8.230 nan 0.000 0.619 1302 D N 1.026 121.046 120.400 -0.634 0.000 2.295 1302 D HA 0.379 5.019 4.640 0.000 0.000 0.248 1302 D C -0.899 174.971 176.300 -0.715 0.000 1.154 1302 D CA 0.484 54.192 54.000 -0.486 0.000 0.857 1302 D CB 0.486 41.043 40.800 -0.405 0.000 1.117 1302 D HN 0.601 nan 8.370 nan 0.000 0.468 1303 W N 2.011 123.210 121.300 -0.168 0.000 2.702 1303 W HA 0.329 4.989 4.660 0.000 0.000 0.331 1303 W C -0.493 175.993 176.519 -0.055 0.000 1.049 1303 W CA -1.022 56.214 57.345 -0.182 0.000 1.230 1303 W CB 0.897 30.224 29.460 -0.221 0.000 1.408 1303 W HN 0.209 nan 8.180 nan 0.000 0.492 1304 Y N 2.136 122.555 120.300 0.200 0.000 2.316 1304 Y HA 0.360 4.910 4.550 0.000 0.000 0.331 1304 Y C -0.266 175.666 175.900 0.053 0.000 1.083 1304 Y CA -1.103 57.124 58.100 0.212 0.000 1.206 1304 Y CB 0.394 38.970 38.460 0.193 0.000 1.195 1304 Y HN 0.148 nan 8.280 nan 0.000 0.497 1305 F N 2.634 122.714 119.950 0.217 0.000 2.308 1305 F HA 0.413 4.940 4.527 -0.000 0.000 0.370 1305 F C -0.430 175.467 175.800 0.162 0.000 1.100 1305 F CA -0.969 57.064 58.000 0.055 0.000 1.108 1305 F CB 0.789 39.595 39.000 -0.322 0.000 1.293 1305 F HN 0.041 nan 8.300 nan 0.000 0.478 1306 V N 6.474 126.578 119.914 0.318 0.000 2.333 1306 V HA 0.371 4.491 4.120 0.000 0.000 0.274 1306 V C -2.119 174.344 176.094 0.614 0.000 1.028 1306 V CA -1.688 60.769 62.300 0.261 0.000 0.851 1306 V CB 0.987 32.750 31.823 -0.100 0.000 1.000 1306 V HN 0.437 nan 8.190 nan 0.000 0.456 1307 P HA 0.274 nan 4.420 nan 0.000 0.287 1307 P C -0.170 177.467 177.300 0.562 0.000 1.270 1307 P CA -0.415 63.021 63.100 0.560 0.000 0.844 1307 P CB 1.228 33.224 31.700 0.493 0.000 1.068 1308 T N 2.031 116.727 114.554 0.236 0.000 2.867 1308 T HA 0.108 4.458 4.350 0.000 0.000 0.297 1308 T C -0.169 174.573 174.700 0.070 0.000 0.989 1308 T CA 1.083 63.102 62.100 -0.135 0.000 1.159 1308 T CB -0.508 68.206 68.868 -0.256 0.000 0.928 1308 T HN 0.450 nan 8.240 nan 0.000 0.538 1309 D N 0.902 121.372 120.400 0.115 0.000 2.879 1309 D HA 0.227 4.867 4.640 0.000 0.000 0.236 1309 D C 0.963 177.296 176.300 0.055 0.000 1.171 1309 D CA -0.688 53.329 54.000 0.028 0.000 0.868 1309 D CB 1.300 41.938 40.800 -0.271 0.000 1.598 1309 D HN 0.595 nan 8.370 nan 0.000 0.497 1310 E N 1.709 121.929 120.200 0.033 0.000 2.478 1310 E HA 0.006 4.356 4.350 0.000 0.000 0.198 1310 E C 1.371 178.051 176.600 0.133 0.000 1.046 1310 E CA 0.329 56.785 56.400 0.093 0.000 0.870 1310 E CB 0.095 29.841 29.700 0.076 0.000 0.818 1310 E HN 0.464 nan 8.360 nan 0.000 0.527 1311 G N 0.705 109.543 108.800 0.063 0.000 2.650 1311 G HA2 -0.163 3.797 3.960 0.000 0.000 0.214 1311 G HA3 -0.163 3.797 3.960 0.000 0.000 0.214 1311 G C -0.307 174.618 174.900 0.042 0.000 1.136 1311 G CA -0.196 44.923 45.100 0.033 0.000 0.789 1311 G HN 0.326 nan 8.290 nan 0.000 0.536 1312 W N 2.604 123.852 121.300 -0.086 0.000 2.543 1312 W HA 0.493 5.153 4.660 -0.000 0.000 0.318 1312 W C -0.783 175.838 176.519 0.169 0.000 1.002 1312 W CA -0.893 56.461 57.345 0.014 0.000 1.302 1312 W CB 1.204 30.709 29.460 0.074 0.000 1.299 1312 W HN 0.010 nan 8.180 nan 0.000 0.424 1313 T N 2.348 117.011 114.554 0.181 0.000 2.823 1313 T HA 0.440 4.790 4.350 0.000 0.000 0.279 1313 T C -0.211 174.558 174.700 0.114 0.000 0.998 1313 T CA -0.731 61.512 62.100 0.239 0.000 0.994 1313 T CB 1.798 70.728 68.868 0.103 0.000 0.960 1313 T HN 0.348 nan 8.240 nan 0.000 0.448 1314 N N 3.396 122.257 118.700 0.268 0.000 2.488 1314 N HA 0.204 4.944 4.740 0.000 0.000 0.274 1314 N C -0.330 175.186 175.510 0.010 0.000 1.111 1314 N CA -0.285 52.901 53.050 0.226 0.000 0.974 1314 N CB 0.923 39.582 38.487 0.287 0.000 1.089 1314 N HN 0.664 nan 8.380 nan 0.000 0.465 1315 D N 0.000 120.271 120.400 -0.216 0.000 6.856 1315 D HA 0.000 4.640 4.640 0.000 0.000 0.175 1315 D CA 0.000 53.769 54.000 -0.384 0.000 0.868 1315 D CB 0.000 40.278 40.800 -0.870 0.000 0.688 1315 D HN 0.000 nan 8.370 nan 0.000 0.683