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 3hmy_1_A DATA FIRST_RESID 866 DATA SEQUENCE NLDcWXXXXE DIDVILKKST ILNLDINNDI ISDISGFNSS VITYPDAQLV DATA SEQUENCE PGINGKAIHL VNNESSEVIV HKAMDIEYND MFNNFTVSFW LRVPKVSASH DATA SEQUENCE LEQYGTNEYS IISSMKXXXX SIGSGWSVSL KGNNLIWTLK DSAGEVRQIT DATA SEQUENCE FRDLPDKFNA YLANKWVFIT ITNDRLSSAN LYINGVLMGS AEITGLGAIR DATA SEQUENCE EDNNITLKLD RCNNNNQYVS IDKFRIFcKA LNPKEIEKLY TSYLSITFLR DATA SEQUENCE DFWGNPLRYD TEYYLIPVAS SSKDVQLKNI TDYMYLTNAP SYTNGKLNIY DATA SEQUENCE YRRLYNGLKF IIKRYTPNNE IDSFVKSGDF IKLYVSYNNN EHIVGYPKDG DATA SEQUENCE NAFNNLDRIL RVGYNAPGIP LYKKMEAVKL RDLKTYSVQL KLYDDKNASL DATA SEQUENCE GLVGTHNGQI GNDPNRDILI ASNWYFNHLK DKILGCDWYF VPTDEGWTND 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 866 N HA 0.000 nan 4.740 nan 0.000 0.220 866 N C 0.000 175.541 175.510 0.051 0.000 1.280 866 N CA 0.000 53.072 53.050 0.037 0.000 0.885 866 N CB 0.000 38.507 38.487 0.033 0.000 1.341 867 L N 1.252 122.516 121.223 0.068 0.000 2.700 867 L HA 0.284 4.624 4.340 0.000 0.000 0.234 867 L C 0.245 177.181 176.870 0.111 0.000 1.156 867 L CA -0.245 54.651 54.840 0.093 0.000 0.946 867 L CB -0.118 42.008 42.059 0.112 0.000 1.216 867 L HN 0.401 nan 8.230 nan 0.000 0.493 868 D N 0.086 120.546 120.400 0.101 0.000 2.414 868 D HA 0.207 4.847 4.640 0.000 0.000 0.251 868 D C 0.154 176.540 176.300 0.143 0.000 1.252 868 D CA -0.181 53.893 54.000 0.123 0.000 0.999 868 D CB 1.407 42.276 40.800 0.115 0.000 1.093 868 D HN 0.144 nan 8.370 nan 0.000 0.515 869 c N -1.869 116.841 118.600 0.184 0.000 2.354 869 c HA 0.766 5.336 4.570 0.000 0.000 0.381 869 c C 0.106 174.392 174.090 0.327 0.000 1.240 869 c CA -0.946 55.513 56.329 0.216 0.000 2.089 869 c CB 0.015 42.658 42.510 0.221 0.000 2.234 869 c HN 0.863 nan 8.230 nan 0.000 0.544 876 D N 2.060 122.441 120.400 -0.031 0.000 2.350 876 D HA 0.191 4.831 4.640 0.000 0.000 0.249 876 D C 1.166 177.412 176.300 -0.091 0.000 1.119 876 D CA -0.065 53.903 54.000 -0.053 0.000 0.886 876 D CB 0.662 41.430 40.800 -0.053 0.000 1.195 876 D HN 0.444 nan 8.370 nan 0.000 0.437 877 I N 2.842 123.366 120.570 -0.077 0.000 2.163 877 I HA -0.257 3.914 4.170 0.000 0.000 0.243 877 I C 1.856 177.909 176.117 -0.106 0.000 1.085 877 I CA 1.348 62.592 61.300 -0.094 0.000 1.347 877 I CB -0.455 37.495 38.000 -0.083 0.000 1.044 877 I HN 0.556 nan 8.210 nan 0.000 0.408 878 D N 0.234 120.579 120.400 -0.092 0.000 2.123 878 D HA -0.143 4.498 4.640 0.000 0.000 0.196 878 D C 2.420 178.660 176.300 -0.100 0.000 0.992 878 D CA 1.479 55.426 54.000 -0.088 0.000 0.833 878 D CB -0.204 40.549 40.800 -0.078 0.000 0.954 878 D HN 0.224 nan 8.370 nan 0.000 0.455 879 V N 1.549 121.387 119.914 -0.127 0.000 2.358 879 V HA -0.203 3.917 4.120 0.000 0.000 0.246 879 V C 2.585 178.521 176.094 -0.262 0.000 1.047 879 V CA 1.007 63.202 62.300 -0.176 0.000 1.035 879 V CB -0.348 31.363 31.823 -0.188 0.000 0.658 879 V HN 0.165 nan 8.190 nan 0.000 0.452 880 I N -0.329 120.067 120.570 -0.289 0.000 2.163 880 I HA -0.279 3.892 4.170 0.000 0.000 0.243 880 I C 2.400 178.426 176.117 -0.152 0.000 1.085 880 I CA 1.682 62.783 61.300 -0.332 0.000 1.347 880 I CB -0.406 37.452 38.000 -0.237 0.000 1.044 880 I HN 0.256 nan 8.210 nan 0.000 0.408 881 L N 0.628 121.805 121.223 -0.075 0.000 2.042 881 L HA -0.260 4.080 4.340 0.000 0.000 0.210 881 L C 2.689 179.657 176.870 0.163 0.000 1.076 881 L CA 1.598 56.489 54.840 0.085 0.000 0.749 881 L CB -0.591 41.498 42.059 0.051 0.000 0.893 881 L HN 0.268 nan 8.230 nan 0.000 0.432 882 K N 0.608 121.020 120.400 0.019 0.000 2.025 882 K HA -0.184 4.136 4.320 0.000 0.000 0.207 882 K C 2.148 178.739 176.600 -0.015 0.000 1.049 882 K CA 1.343 57.629 56.287 -0.002 0.000 0.933 882 K CB 0.055 32.526 32.500 -0.047 0.000 0.714 882 K HN 0.165 nan 8.250 nan 0.000 0.438 883 K N 0.432 120.778 120.400 -0.090 0.000 2.097 883 K HA -0.082 4.238 4.320 0.000 0.000 0.206 883 K C 1.994 178.606 176.600 0.020 0.000 1.049 883 K CA 1.673 57.898 56.287 -0.104 0.000 0.933 883 K CB -0.034 32.253 32.500 -0.356 0.000 0.717 883 K HN 0.272 nan 8.250 nan 0.000 0.442 884 S N 0.021 115.762 115.700 0.067 0.000 2.603 884 S HA 0.007 4.477 4.470 0.000 0.000 0.220 884 S C 0.640 175.360 174.600 0.201 0.000 0.967 884 S CA -0.135 58.178 58.200 0.188 0.000 0.920 884 S CB -0.029 63.310 63.200 0.231 0.000 0.773 884 S HN -0.038 nan 8.310 nan 0.000 0.529 885 T N 3.717 118.324 114.554 0.089 0.000 2.779 885 T HA 0.384 4.734 4.350 0.000 0.000 0.296 885 T C 1.110 175.840 174.700 0.050 0.000 0.938 885 T CA -0.286 61.724 62.100 -0.149 0.000 1.119 885 T CB 0.501 69.248 68.868 -0.203 0.000 0.891 885 T HN 0.534 nan 8.240 nan 0.000 0.526 886 I N 1.101 121.654 120.570 -0.029 0.000 4.082 886 I HA 0.545 4.715 4.170 0.000 0.000 0.337 886 I C -0.331 175.792 176.117 0.010 0.000 1.352 886 I CA -0.235 61.059 61.300 -0.010 0.000 1.097 886 I CB 0.438 38.281 38.000 -0.263 0.000 1.048 886 I HN 0.300 nan 8.210 nan 0.000 0.393 887 L N 1.739 122.944 121.223 -0.029 0.000 2.641 887 L HA 0.581 4.921 4.340 0.000 0.000 0.261 887 L C -2.097 174.744 176.870 -0.049 0.000 0.926 887 L CA -0.311 54.536 54.840 0.012 0.000 0.917 887 L CB 1.959 44.039 42.059 0.035 0.000 1.361 887 L HN 0.134 nan 8.230 nan 0.000 0.417 888 N N 5.085 123.806 118.700 0.034 0.000 2.621 888 N HA 0.371 5.111 4.740 0.000 0.000 0.271 888 N C -1.757 173.819 175.510 0.110 0.000 1.181 888 N CA -0.327 52.746 53.050 0.037 0.000 0.805 888 N CB 1.220 39.717 38.487 0.016 0.000 1.351 888 N HN 0.695 nan 8.380 nan 0.000 0.539 889 L N 1.911 123.238 121.223 0.173 0.000 2.361 889 L HA 0.295 4.635 4.340 0.000 0.000 0.278 889 L C 0.221 177.181 176.870 0.151 0.000 1.113 889 L CA -0.059 54.893 54.840 0.187 0.000 0.849 889 L CB 0.530 42.749 42.059 0.266 0.000 1.155 889 L HN 0.473 nan 8.230 nan 0.000 0.452 890 D N 3.704 124.169 120.400 0.109 0.000 2.490 890 D HA 0.595 5.235 4.640 0.000 0.000 0.232 890 D C -0.918 175.418 176.300 0.059 0.000 1.053 890 D CA -0.405 53.643 54.000 0.080 0.000 0.914 890 D CB 1.953 42.791 40.800 0.064 0.000 1.431 890 D HN 0.253 nan 8.370 nan 0.000 0.483 891 I N 2.673 123.264 120.570 0.034 0.000 2.439 891 I HA 0.400 4.570 4.170 0.000 0.000 0.285 891 I C -0.684 175.433 176.117 -0.001 0.000 1.021 891 I CA -0.779 60.534 61.300 0.021 0.000 1.091 891 I CB 1.277 39.288 38.000 0.018 0.000 1.242 891 I HN 0.154 nan 8.210 nan 0.000 0.439 892 N N 5.783 124.485 118.700 0.003 0.000 2.264 892 N HA 0.310 5.050 4.740 0.000 0.000 0.288 892 N C -0.581 174.929 175.510 -0.001 0.000 1.094 892 N CA -0.662 52.384 53.050 -0.006 0.000 0.817 892 N CB 1.951 40.437 38.487 -0.002 0.000 1.604 892 N HN 0.503 nan 8.380 nan 0.000 0.473 893 N N 1.429 120.126 118.700 -0.005 0.000 2.721 893 N HA -0.180 4.560 4.740 0.000 0.000 0.249 893 N C -1.011 174.501 175.510 0.002 0.000 1.072 893 N CA 0.922 53.971 53.050 -0.001 0.000 0.710 893 N CB -0.822 37.666 38.487 0.002 0.000 0.993 893 N HN 0.692 nan 8.380 nan 0.000 0.547 894 D N -1.458 118.943 120.400 0.001 0.000 2.811 894 D HA -0.198 4.442 4.640 0.000 0.000 0.231 894 D C -0.145 176.163 176.300 0.012 0.000 1.157 894 D CA 0.962 54.965 54.000 0.006 0.000 0.716 894 D CB -0.690 40.114 40.800 0.006 0.000 1.077 894 D HN 0.468 nan 8.370 nan 0.000 0.428 895 I N 0.789 121.367 120.570 0.014 0.000 2.582 895 I HA 0.365 4.535 4.170 0.000 0.000 0.292 895 I C 0.710 176.844 176.117 0.029 0.000 1.066 895 I CA -0.778 60.534 61.300 0.019 0.000 1.053 895 I CB 1.885 39.894 38.000 0.014 0.000 1.241 895 I HN -0.155 nan 8.210 nan 0.000 0.421 896 I N 5.242 125.835 120.570 0.039 0.000 2.342 896 I HA 0.381 4.551 4.170 0.000 0.000 0.291 896 I C 0.374 176.525 176.117 0.057 0.000 1.010 896 I CA 0.031 61.364 61.300 0.055 0.000 1.308 896 I CB 1.368 39.409 38.000 0.067 0.000 1.400 896 I HN 0.692 nan 8.210 nan 0.000 0.488 897 S N 2.969 118.708 115.700 0.065 0.000 2.625 897 S HA 0.398 4.868 4.470 0.000 0.000 0.271 897 S C -1.312 173.338 174.600 0.082 0.000 1.161 897 S CA -1.062 57.178 58.200 0.067 0.000 0.820 897 S CB 2.110 65.340 63.200 0.049 0.000 1.137 897 S HN 0.569 nan 8.310 nan 0.000 0.470 898 D N 0.699 121.151 120.400 0.086 0.000 2.313 898 D HA 0.397 5.037 4.640 0.000 0.000 0.239 898 D C 0.727 177.072 176.300 0.074 0.000 1.142 898 D CA -0.741 53.317 54.000 0.096 0.000 0.847 898 D CB 0.482 41.350 40.800 0.114 0.000 1.082 898 D HN 0.654 nan 8.370 nan 0.000 0.480 899 I N 1.166 121.775 120.570 0.065 0.000 3.889 899 I HA 0.182 4.352 4.170 0.000 0.000 0.332 899 I C 1.082 177.216 176.117 0.030 0.000 1.493 899 I CA -0.381 60.943 61.300 0.040 0.000 1.158 899 I CB 0.102 38.123 38.000 0.034 0.000 1.117 899 I HN 0.217 nan 8.210 nan 0.000 0.411 900 S N 0.772 116.506 115.700 0.056 0.000 2.428 900 S HA 0.173 4.643 4.470 0.000 0.000 0.230 900 S C 1.758 176.343 174.600 -0.025 0.000 1.014 900 S CA 0.969 59.207 58.200 0.064 0.000 0.957 900 S CB -0.167 63.146 63.200 0.189 0.000 0.784 900 S HN 0.840 nan 8.310 nan 0.000 0.499 901 G N -0.026 108.745 108.800 -0.048 0.000 2.253 901 G HA2 -0.200 3.760 3.960 0.000 0.000 0.209 901 G HA3 -0.200 3.760 3.960 0.000 0.000 0.209 901 G C 0.430 175.183 174.900 -0.245 0.000 0.997 901 G CA 0.096 45.088 45.100 -0.180 0.000 0.640 901 G HN 0.493 nan 8.290 nan 0.000 0.496 902 F N 1.596 121.550 119.950 0.007 0.000 2.743 902 F HA 0.279 4.806 4.527 0.000 0.000 0.297 902 F C 1.456 177.263 175.800 0.012 0.000 1.131 902 F CA 0.524 58.529 58.000 0.008 0.000 1.426 902 F CB 0.053 39.054 39.000 0.002 0.000 1.116 902 F HN 0.133 nan 8.300 nan 0.000 0.583 903 N N 0.816 119.607 118.700 0.152 0.000 2.725 903 N HA -0.192 4.548 4.740 0.000 0.000 0.251 903 N C -0.334 175.246 175.510 0.116 0.000 1.031 903 N CA 0.695 53.809 53.050 0.107 0.000 0.720 903 N CB -1.522 37.007 38.487 0.070 0.000 0.930 903 N HN 0.053 nan 8.380 nan 0.000 0.543 904 S N 0.324 116.100 115.700 0.127 0.000 2.549 904 S HA 0.215 4.686 4.470 0.000 0.000 0.283 904 S C 0.918 175.583 174.600 0.109 0.000 1.320 904 S CA -0.524 57.739 58.200 0.104 0.000 1.058 904 S CB 0.909 64.161 63.200 0.086 0.000 0.882 904 S HN 0.446 nan 8.310 nan 0.000 0.498 905 S N 2.400 118.174 115.700 0.125 0.000 2.564 905 S HA 0.435 4.905 4.470 0.000 0.000 0.278 905 S C -0.331 174.334 174.600 0.109 0.000 1.333 905 S CA -0.757 57.507 58.200 0.106 0.000 1.048 905 S CB 0.482 63.739 63.200 0.096 0.000 0.900 905 S HN 0.392 nan 8.310 nan 0.000 0.505 906 V N 4.249 124.213 119.914 0.082 0.000 2.409 906 V HA 0.387 4.507 4.120 0.000 0.000 0.291 906 V C -0.458 175.672 176.094 0.060 0.000 1.020 906 V CA -0.840 61.510 62.300 0.082 0.000 0.848 906 V CB 1.235 33.107 31.823 0.082 0.000 0.990 906 V HN 0.822 nan 8.190 nan 0.000 0.430 907 I N 3.938 124.554 120.570 0.076 0.000 2.307 907 I HA 0.333 4.503 4.170 0.000 0.000 0.289 907 I C 0.468 176.640 176.117 0.091 0.000 1.021 907 I CA 0.077 61.401 61.300 0.040 0.000 1.224 907 I CB 1.290 39.327 38.000 0.062 0.000 1.376 907 I HN 0.514 nan 8.210 nan 0.000 0.470 908 T N 6.771 121.334 114.554 0.015 0.000 2.743 908 T HA 0.425 4.775 4.350 0.000 0.000 0.292 908 T C -0.119 174.580 174.700 -0.002 0.000 0.972 908 T CA -0.220 61.922 62.100 0.069 0.000 0.967 908 T CB 0.363 69.255 68.868 0.041 0.000 0.926 908 T HN 0.130 nan 8.240 nan 0.000 0.459 909 Y N 4.264 124.561 120.300 -0.005 0.000 2.298 909 Y HA 0.218 4.768 4.550 0.000 0.000 0.329 909 Y C -0.804 175.094 175.900 -0.004 0.000 1.293 909 Y CA -1.937 56.158 58.100 -0.008 0.000 1.388 909 Y CB 0.211 38.662 38.460 -0.015 0.000 1.309 909 Y HN 0.437 nan 8.280 nan 0.000 0.544 910 P HA -0.262 nan 4.420 nan 0.000 0.217 910 P C 0.535 177.874 177.300 0.065 0.000 1.158 910 P CA 2.063 65.199 63.100 0.060 0.000 0.887 910 P CB 0.345 32.074 31.700 0.049 0.000 0.792 911 D N -0.829 119.619 120.400 0.079 0.000 2.358 911 D HA 0.259 4.899 4.640 0.000 0.000 0.224 911 D C 0.008 176.341 176.300 0.055 0.000 1.123 911 D CA -0.304 53.729 54.000 0.054 0.000 0.833 911 D CB -0.519 40.302 40.800 0.035 0.000 0.946 911 D HN 0.055 nan 8.370 nan 0.000 0.505 912 A N 0.677 123.542 122.820 0.074 0.000 2.354 912 A HA 0.394 4.714 4.320 0.000 0.000 0.281 912 A C 0.278 177.910 177.584 0.080 0.000 1.174 912 A CA -0.236 51.843 52.037 0.071 0.000 0.828 912 A CB 0.311 19.364 19.000 0.088 0.000 1.099 912 A HN 0.186 nan 8.150 nan 0.000 0.516 913 Q N 1.085 120.947 119.800 0.104 0.000 2.215 913 Q HA 0.675 5.015 4.340 0.000 0.000 0.256 913 Q C -0.973 175.109 176.000 0.136 0.000 0.972 913 Q CA -0.499 55.377 55.803 0.121 0.000 0.889 913 Q CB 1.922 30.756 28.738 0.160 0.000 1.281 913 Q HN 0.724 nan 8.270 nan 0.000 0.456 914 L N 1.957 123.235 121.223 0.090 0.000 2.322 914 L HA 0.688 5.028 4.340 0.000 0.000 0.281 914 L C -0.493 176.406 176.870 0.049 0.000 1.014 914 L CA -0.905 53.982 54.840 0.079 0.000 0.815 914 L CB 1.416 43.503 42.059 0.048 0.000 1.247 914 L HN 0.470 nan 8.230 nan 0.000 0.421 915 V N 1.158 121.111 119.914 0.065 0.000 3.167 915 V HA 0.681 4.801 4.120 0.000 0.000 0.310 915 V C -2.755 173.375 176.094 0.061 0.000 1.207 915 V CA -2.732 59.584 62.300 0.027 0.000 1.059 915 V CB 1.769 33.569 31.823 -0.037 0.000 1.079 915 V HN 0.460 nan 8.190 nan 0.000 0.446 916 P HA 0.375 nan 4.420 nan 0.000 0.265 916 P C 0.061 177.389 177.300 0.046 0.000 1.193 916 P CA 1.017 64.132 63.100 0.025 0.000 0.765 916 P CB 0.469 32.203 31.700 0.056 0.000 0.823 917 G N 1.281 109.968 108.800 -0.188 0.000 3.075 917 G HA2 0.298 4.258 3.960 0.000 0.000 0.253 917 G HA3 0.298 4.258 3.960 0.000 0.000 0.253 917 G C 0.398 174.819 174.900 -0.798 0.000 1.353 917 G CA -0.549 44.240 45.100 -0.518 0.000 1.051 917 G HN 0.427 nan 8.290 nan 0.000 0.553 918 I N -0.772 119.114 120.570 -1.139 0.000 2.546 918 I HA 0.122 4.292 4.170 0.000 0.000 0.255 918 I C 0.644 176.351 176.117 -0.683 0.000 1.163 918 I CA 0.702 61.349 61.300 -1.088 0.000 1.457 918 I CB 0.011 37.008 38.000 -1.672 0.000 1.092 918 I HN 0.413 nan 8.210 nan 0.000 0.434 919 N N 0.271 118.639 118.700 -0.553 0.000 2.785 919 N HA 0.442 5.182 4.740 0.000 0.000 0.224 919 N C -0.302 174.999 175.510 -0.348 0.000 1.448 919 N CA 0.493 53.302 53.050 -0.403 0.000 0.748 919 N CB 0.275 38.610 38.487 -0.254 0.000 1.385 919 N HN 0.373 nan 8.380 nan 0.000 0.538 920 G N 1.148 109.716 108.800 -0.386 0.000 2.348 920 G HA2 -0.071 3.889 3.960 0.000 0.000 0.199 920 G HA3 -0.071 3.889 3.960 0.000 0.000 0.199 920 G C -1.435 173.322 174.900 -0.239 0.000 1.235 920 G CA -0.755 44.167 45.100 -0.296 0.000 1.264 920 G HN 0.329 nan 8.290 nan 0.000 0.543 921 K N 0.328 120.636 120.400 -0.154 0.000 2.238 921 K HA 0.808 5.128 4.320 0.000 0.000 0.239 921 K C -0.056 176.509 176.600 -0.057 0.000 0.987 921 K CA -0.061 56.173 56.287 -0.089 0.000 0.857 921 K CB 2.123 34.599 32.500 -0.041 0.000 1.154 921 K HN 1.091 nan 8.250 nan 0.000 0.439 922 A N 1.254 124.091 122.820 0.030 0.000 2.485 922 A HA 0.617 4.937 4.320 0.000 0.000 0.292 922 A C -0.814 176.890 177.584 0.201 0.000 1.147 922 A CA -0.872 51.237 52.037 0.121 0.000 0.750 922 A CB 0.671 19.793 19.000 0.203 0.000 1.331 922 A HN 0.652 nan 8.150 nan 0.000 0.419 923 I N 1.237 121.950 120.570 0.238 0.000 2.441 923 I HA 0.239 4.409 4.170 0.000 0.000 0.287 923 I C -0.189 176.095 176.117 0.279 0.000 1.049 923 I CA -0.007 61.420 61.300 0.212 0.000 1.381 923 I CB 0.745 38.842 38.000 0.161 0.000 1.409 923 I HN 0.723 nan 8.210 nan 0.000 0.523 924 H N 6.875 126.014 119.070 0.114 0.000 2.539 924 H HA 0.581 5.137 4.556 0.000 0.000 0.332 924 H C -1.338 174.028 175.328 0.063 0.000 1.031 924 H CA -0.452 55.649 56.048 0.089 0.000 1.206 924 H CB 1.018 30.803 29.762 0.038 0.000 1.446 924 H HN 0.425 nan 8.280 nan 0.000 0.496 925 L N 6.464 127.512 121.223 -0.292 0.000 2.313 925 L HA 0.494 4.834 4.340 0.000 0.000 0.283 925 L C -0.165 176.542 176.870 -0.272 0.000 1.013 925 L CA -1.222 53.497 54.840 -0.201 0.000 0.816 925 L CB 1.519 43.528 42.059 -0.084 0.000 1.236 925 L HN 0.443 nan 8.230 nan 0.000 0.419 926 V N -0.308 119.504 119.914 -0.170 0.000 3.193 926 V HA 0.492 4.612 4.120 0.000 0.000 0.320 926 V C 0.013 176.060 176.094 -0.079 0.000 1.112 926 V CA -0.902 61.341 62.300 -0.095 0.000 1.026 926 V CB 1.807 33.602 31.823 -0.046 0.000 1.128 926 V HN 0.715 nan 8.190 nan 0.000 0.452 927 N N 2.914 121.566 118.700 -0.079 0.000 3.124 927 N HA 0.271 5.011 4.740 0.000 0.000 0.284 927 N C -0.736 174.719 175.510 -0.092 0.000 1.209 927 N CA -0.041 52.940 53.050 -0.115 0.000 1.149 927 N CB -1.164 37.216 38.487 -0.178 0.000 1.434 927 N HN 1.054 nan 8.380 nan 0.000 0.529 928 N N -1.324 117.331 118.700 -0.076 0.000 2.591 928 N HA 0.229 4.969 4.740 0.000 0.000 0.263 928 N C 0.224 175.694 175.510 -0.065 0.000 1.308 928 N CA -0.629 52.384 53.050 -0.061 0.000 0.837 928 N CB 0.838 39.301 38.487 -0.039 0.000 1.548 928 N HN -0.234 nan 8.380 nan 0.000 0.493 929 E N -0.003 120.160 120.200 -0.062 0.000 2.267 929 E HA -0.079 4.272 4.350 0.000 0.000 0.197 929 E C 0.497 177.051 176.600 -0.077 0.000 0.998 929 E CA 1.084 57.438 56.400 -0.078 0.000 0.830 929 E CB -0.312 29.351 29.700 -0.061 0.000 0.751 929 E HN 0.634 nan 8.360 nan 0.000 0.491 930 S N 0.194 115.879 115.700 -0.025 0.000 2.558 930 S HA 0.022 4.492 4.470 0.000 0.000 0.217 930 S C 1.000 175.623 174.600 0.039 0.000 0.975 930 S CA -0.064 58.157 58.200 0.035 0.000 0.912 930 S CB 0.241 63.474 63.200 0.055 0.000 0.776 930 S HN -0.011 nan 8.310 nan 0.000 0.526 931 S N 2.662 118.351 115.700 -0.018 0.000 2.592 931 S HA 0.330 4.800 4.470 0.000 0.000 0.305 931 S C -0.490 174.077 174.600 -0.055 0.000 1.118 931 S CA -0.632 57.559 58.200 -0.015 0.000 1.075 931 S CB -0.333 62.847 63.200 -0.034 0.000 1.107 931 S HN 0.587 nan 8.310 nan 0.000 0.503 932 E N 1.578 121.759 120.200 -0.032 0.000 2.388 932 E HA 0.522 4.872 4.350 0.000 0.000 0.281 932 E C -1.929 174.687 176.600 0.027 0.000 1.046 932 E CA -1.070 55.277 56.400 -0.089 0.000 0.825 932 E CB 1.052 30.588 29.700 -0.273 0.000 1.243 932 E HN 0.212 nan 8.360 nan 0.000 0.438 933 V N 2.632 122.549 119.914 0.004 0.000 2.483 933 V HA 0.468 4.588 4.120 0.000 0.000 0.297 933 V C -0.422 175.688 176.094 0.027 0.000 1.027 933 V CA -0.560 61.784 62.300 0.073 0.000 0.855 933 V CB 1.357 33.204 31.823 0.039 0.000 0.995 933 V HN 0.625 nan 8.190 nan 0.000 0.424 934 I N 4.688 125.322 120.570 0.106 0.000 2.404 934 I HA 0.499 4.669 4.170 0.000 0.000 0.293 934 I C -0.600 175.567 176.117 0.084 0.000 0.992 934 I CA -0.902 60.438 61.300 0.067 0.000 1.149 934 I CB 2.157 40.227 38.000 0.116 0.000 1.315 934 I HN 0.270 nan 8.210 nan 0.000 0.446 935 V N 5.323 125.271 119.914 0.056 0.000 2.347 935 V HA 0.170 4.290 4.120 0.000 0.000 0.280 935 V C -0.352 175.802 176.094 0.100 0.000 1.021 935 V CA -0.632 61.722 62.300 0.090 0.000 0.847 935 V CB 1.071 32.955 31.823 0.101 0.000 0.990 935 V HN 0.580 nan 8.190 nan 0.000 0.444 936 H N 4.852 123.937 119.070 0.026 0.000 2.820 936 H HA 0.384 4.940 4.556 0.000 0.000 0.278 936 H C 0.243 175.573 175.328 0.003 0.000 1.142 936 H CA -0.488 55.564 56.048 0.006 0.000 1.346 936 H CB 0.341 30.107 29.762 0.008 0.000 1.438 936 H HN 0.551 nan 8.280 nan 0.000 0.473 937 K N 3.339 123.560 120.400 -0.298 0.000 2.484 937 K HA 0.215 4.535 4.320 0.000 0.000 0.280 937 K C 0.158 176.581 176.600 -0.295 0.000 1.013 937 K CA 0.329 56.471 56.287 -0.241 0.000 1.029 937 K CB 0.546 32.903 32.500 -0.238 0.000 0.902 937 K HN 0.694 nan 8.250 nan 0.000 0.481 938 A N 3.645 126.383 122.820 -0.137 0.000 2.386 938 A HA 0.059 4.379 4.320 0.000 0.000 0.248 938 A C 1.182 178.674 177.584 -0.153 0.000 1.082 938 A CA -0.240 51.752 52.037 -0.075 0.000 0.789 938 A CB 0.148 19.172 19.000 0.041 0.000 1.025 938 A HN 0.915 nan 8.150 nan 0.000 0.490 939 M N 0.397 119.931 119.600 -0.109 0.000 2.195 939 M HA -0.172 4.308 4.480 0.000 0.000 0.260 939 M C 0.793 177.004 176.300 -0.148 0.000 1.066 939 M CA 1.682 56.891 55.300 -0.151 0.000 1.089 939 M CB -0.510 32.059 32.600 -0.052 0.000 1.377 939 M HN 0.740 nan 8.290 nan 0.000 0.411 940 D N 0.548 120.909 120.400 -0.065 0.000 2.264 940 D HA -0.064 4.576 4.640 0.000 0.000 0.208 940 D C 1.657 177.829 176.300 -0.212 0.000 0.966 940 D CA 1.281 55.254 54.000 -0.044 0.000 0.864 940 D CB 0.010 40.900 40.800 0.150 0.000 0.933 940 D HN 0.614 nan 8.370 nan 0.000 0.499 941 I N -2.981 117.407 120.570 -0.304 0.000 4.240 941 I HA 0.221 4.391 4.170 0.000 0.000 0.331 941 I C 1.755 177.701 176.117 -0.285 0.000 1.381 941 I CA -0.276 60.813 61.300 -0.351 0.000 1.136 941 I CB 0.380 38.100 38.000 -0.466 0.000 1.137 941 I HN -0.303 nan 8.210 nan 0.000 0.411 942 E N 2.036 122.008 120.200 -0.380 0.000 2.114 942 E HA -0.232 4.118 4.350 0.000 0.000 0.199 942 E C 0.466 176.791 176.600 -0.458 0.000 1.008 942 E CA 1.904 57.983 56.400 -0.534 0.000 0.810 942 E CB -0.125 29.044 29.700 -0.884 0.000 0.739 942 E HN 0.802 nan 8.360 nan 0.000 0.456 943 Y N -0.291 119.961 120.300 -0.081 0.000 2.774 943 Y HA 0.195 4.745 4.550 0.000 0.000 0.305 943 Y C 1.351 177.213 175.900 -0.063 0.000 1.067 943 Y CA -0.773 57.284 58.100 -0.072 0.000 1.304 943 Y CB 0.135 38.576 38.460 -0.032 0.000 1.209 943 Y HN 0.034 nan 8.280 nan 0.000 0.543 944 N N 1.527 120.227 118.700 -0.001 0.000 2.354 944 N HA -0.138 4.602 4.740 0.000 0.000 0.179 944 N C 0.895 176.391 175.510 -0.024 0.000 1.021 944 N CA 1.502 54.546 53.050 -0.010 0.000 0.887 944 N CB 0.190 38.633 38.487 -0.073 0.000 0.974 944 N HN 0.543 nan 8.380 nan 0.000 0.437 945 D N -0.303 120.016 120.400 -0.135 0.000 2.424 945 D HA -0.017 4.624 4.640 0.000 0.000 0.220 945 D C 1.676 177.880 176.300 -0.161 0.000 1.150 945 D CA -0.248 53.586 54.000 -0.278 0.000 0.831 945 D CB -0.315 39.947 40.800 -0.897 0.000 0.981 945 D HN 0.248 nan 8.370 nan 0.000 0.500 946 M N -0.739 118.780 119.600 -0.136 0.000 2.099 946 M HA -0.020 4.460 4.480 0.000 0.000 0.262 946 M C 0.397 176.366 176.300 -0.553 0.000 1.067 946 M CA 1.744 56.821 55.300 -0.372 0.000 1.124 946 M CB 0.074 32.410 32.600 -0.440 0.000 1.353 946 M HN 0.011 nan 8.290 nan 0.000 0.410 947 F N -1.240 118.753 119.950 0.071 0.000 2.834 947 F HA 0.284 4.811 4.527 0.000 0.000 0.332 947 F C 0.531 176.398 175.800 0.110 0.000 1.056 947 F CA -0.729 57.320 58.000 0.081 0.000 1.178 947 F CB -0.051 38.982 39.000 0.054 0.000 1.037 947 F HN 0.000 nan 8.300 nan 0.000 0.580 948 N N 0.953 119.818 118.700 0.274 0.000 2.458 948 N HA 0.179 4.919 4.740 0.000 0.000 0.271 948 N C -0.507 175.181 175.510 0.297 0.000 1.210 948 N CA -0.385 52.810 53.050 0.243 0.000 0.978 948 N CB 0.432 39.039 38.487 0.201 0.000 1.206 948 N HN 0.137 nan 8.380 nan 0.000 0.536 949 N N -0.306 118.549 118.700 0.259 0.000 2.444 949 N HA 0.341 5.081 4.740 0.000 0.000 0.255 949 N C -0.852 174.889 175.510 0.384 0.000 1.255 949 N CA 0.056 53.266 53.050 0.267 0.000 0.933 949 N CB 0.458 39.025 38.487 0.133 0.000 1.143 949 N HN 0.411 nan 8.380 nan 0.000 0.453 950 F N -2.334 117.646 119.950 0.051 0.000 2.741 950 F HA 0.521 5.048 4.527 0.000 0.000 0.311 950 F C -1.393 174.393 175.800 -0.023 0.000 1.149 950 F CA -0.908 57.113 58.000 0.036 0.000 0.930 950 F CB 1.107 40.129 39.000 0.037 0.000 1.312 950 F HN 0.133 nan 8.300 nan 0.000 0.450 951 T N 1.823 116.376 114.554 -0.002 0.000 2.893 951 T HA 0.688 5.038 4.350 0.000 0.000 0.293 951 T C -1.486 173.198 174.700 -0.027 0.000 1.027 951 T CA -0.676 61.319 62.100 -0.176 0.000 0.988 951 T CB 2.075 70.853 68.868 -0.152 0.000 1.043 951 T HN 0.636 nan 8.240 nan 0.000 0.461 952 V N 3.259 123.017 119.914 -0.260 0.000 2.495 952 V HA 0.799 4.919 4.120 0.000 0.000 0.298 952 V C -0.184 175.804 176.094 -0.177 0.000 1.031 952 V CA -0.696 61.474 62.300 -0.217 0.000 0.871 952 V CB 1.722 33.355 31.823 -0.317 0.000 0.988 952 V HN 1.073 nan 8.190 nan 0.000 0.432 953 S N 4.396 120.058 115.700 -0.062 0.000 2.569 953 S HA 0.994 5.464 4.470 0.000 0.000 0.280 953 S C -1.026 173.644 174.600 0.117 0.000 1.111 953 S CA -0.712 57.383 58.200 -0.176 0.000 0.887 953 S CB 2.431 65.611 63.200 -0.034 0.000 1.095 953 S HN 1.241 nan 8.310 nan 0.000 0.476 954 F N -2.997 116.813 119.950 -0.232 0.000 2.765 954 F HA 0.654 5.181 4.527 0.000 0.000 0.313 954 F C -2.131 173.710 175.800 0.069 0.000 1.136 954 F CA -1.821 56.241 58.000 0.103 0.000 0.952 954 F CB -0.053 39.139 39.000 0.320 0.000 1.268 954 F HN 0.662 nan 8.300 nan 0.000 0.441 955 W N 3.090 124.635 121.300 0.409 0.000 2.261 955 W HA 0.690 5.350 4.660 0.000 0.000 0.323 955 W C -0.746 176.179 176.519 0.677 0.000 1.243 955 W CA -0.397 57.220 57.345 0.455 0.000 1.210 955 W CB 1.579 31.212 29.460 0.288 0.000 1.149 955 W HN 0.663 nan 8.180 nan 0.000 0.562 956 L N 3.569 125.262 121.223 0.783 0.000 2.401 956 L HA 0.634 4.974 4.340 0.000 0.000 0.266 956 L C -1.025 176.031 176.870 0.310 0.000 0.991 956 L CA -1.187 54.007 54.840 0.589 0.000 0.818 956 L CB 1.879 44.195 42.059 0.427 0.000 1.321 956 L HN 0.472 nan 8.230 nan 0.000 0.413 957 R N 3.853 124.326 120.500 -0.045 0.000 2.510 957 R HA 0.760 5.100 4.340 0.000 0.000 0.294 957 R C -2.167 174.068 176.300 -0.110 0.000 1.056 957 R CA -0.509 55.399 56.100 -0.321 0.000 0.918 957 R CB 1.827 31.424 30.300 -1.172 0.000 1.187 957 R HN 0.564 nan 8.270 nan 0.000 0.437 958 V N 6.319 126.215 119.914 -0.029 0.000 2.540 958 V HA 0.491 4.611 4.120 0.000 0.000 0.302 958 V C -2.031 174.030 176.094 -0.055 0.000 1.035 958 V CA -1.972 60.322 62.300 -0.011 0.000 0.873 958 V CB 1.982 33.830 31.823 0.042 0.000 0.992 958 V HN 0.749 nan 8.190 nan 0.000 0.428 959 P HA 0.072 nan 4.420 nan 0.000 0.269 959 P C -0.702 176.517 177.300 -0.134 0.000 1.215 959 P CA -0.405 62.597 63.100 -0.164 0.000 0.780 959 P CB 0.908 32.392 31.700 -0.360 0.000 0.898 960 K N 1.987 122.300 120.400 -0.144 0.000 2.416 960 K HA 0.156 4.476 4.320 0.000 0.000 0.283 960 K C -0.544 175.931 176.600 -0.208 0.000 1.037 960 K CA -0.407 55.743 56.287 -0.229 0.000 0.995 960 K CB 0.094 32.271 32.500 -0.538 0.000 0.938 960 K HN 0.180 nan 8.250 nan 0.000 0.475 961 V N 5.003 124.840 119.914 -0.128 0.000 2.470 961 V HA -0.017 4.103 4.120 0.000 0.000 0.276 961 V C 0.540 176.585 176.094 -0.081 0.000 1.040 961 V CA -0.368 61.903 62.300 -0.048 0.000 1.008 961 V CB 0.659 32.499 31.823 0.029 0.000 0.990 961 V HN 0.979 nan 8.190 nan 0.000 0.477 962 S N 4.637 120.278 115.700 -0.099 0.000 2.576 962 S HA 0.328 4.798 4.470 0.000 0.000 0.272 962 S C 1.435 175.998 174.600 -0.062 0.000 1.352 962 S CA 0.011 58.116 58.200 -0.158 0.000 1.021 962 S CB 1.212 64.233 63.200 -0.298 0.000 0.887 962 S HN 1.057 nan 8.310 nan 0.000 0.542 963 A N 2.216 125.006 122.820 -0.051 0.000 1.908 963 A HA -0.042 4.278 4.320 0.000 0.000 0.218 963 A C 2.412 180.006 177.584 0.016 0.000 1.181 963 A CA 1.946 54.002 52.037 0.031 0.000 0.627 963 A CB -1.590 17.463 19.000 0.087 0.000 0.818 963 A HN 0.863 nan 8.150 nan 0.000 0.445 964 S N -0.843 114.834 115.700 -0.039 0.000 2.356 964 S HA -0.194 4.277 4.470 0.000 0.000 0.223 964 S C 1.731 176.372 174.600 0.068 0.000 1.032 964 S CA 1.524 59.710 58.200 -0.023 0.000 1.005 964 S CB -0.633 62.517 63.200 -0.082 0.000 0.867 964 S HN 0.815 nan 8.310 nan 0.000 0.449 965 H N 0.394 119.475 119.070 0.018 0.000 2.457 965 H HA 0.122 4.678 4.556 0.000 0.000 0.294 965 H C 1.920 177.297 175.328 0.082 0.000 1.064 965 H CA 0.620 56.723 56.048 0.091 0.000 1.330 965 H CB -0.070 29.787 29.762 0.159 0.000 1.395 965 H HN 0.235 nan 8.280 nan 0.000 0.541 966 L N 0.457 121.776 121.223 0.160 0.000 2.109 966 L HA -0.142 4.198 4.340 0.000 0.000 0.207 966 L C 2.113 179.019 176.870 0.061 0.000 1.086 966 L CA 1.205 56.110 54.840 0.107 0.000 0.760 966 L CB -0.137 41.969 42.059 0.078 0.000 0.910 966 L HN 0.365 nan 8.230 nan 0.000 0.437 967 E N -0.478 119.741 120.200 0.031 0.000 2.072 967 E HA -0.262 4.088 4.350 0.000 0.000 0.190 967 E C 2.086 178.647 176.600 -0.064 0.000 0.982 967 E CA 0.933 57.329 56.400 -0.007 0.000 0.803 967 E CB -0.000 29.694 29.700 -0.010 0.000 0.755 967 E HN 0.446 nan 8.360 nan 0.000 0.453 968 Q N -0.277 119.438 119.800 -0.140 0.000 2.096 968 Q HA -0.116 4.225 4.340 0.000 0.000 0.197 968 Q C 0.709 176.416 176.000 -0.488 0.000 0.964 968 Q CA 1.198 56.767 55.803 -0.390 0.000 0.838 968 Q CB 0.257 28.619 28.738 -0.625 0.000 0.906 968 Q HN 0.312 nan 8.270 nan 0.000 0.444 969 Y N -1.740 118.567 120.300 0.013 0.000 2.557 969 Y HA 0.366 4.916 4.550 0.000 0.000 0.247 969 Y C 1.657 177.575 175.900 0.030 0.000 1.164 969 Y CA -0.049 58.048 58.100 -0.004 0.000 1.218 969 Y CB 0.228 38.652 38.460 -0.061 0.000 1.210 969 Y HN 0.160 nan 8.280 nan 0.000 0.529 970 G N 0.374 109.254 108.800 0.133 0.000 2.485 970 G HA2 -0.308 3.652 3.960 0.000 0.000 0.221 970 G HA3 -0.308 3.652 3.960 0.000 0.000 0.221 970 G C 1.624 176.578 174.900 0.090 0.000 1.115 970 G CA 1.949 47.111 45.100 0.104 0.000 0.751 970 G HN 0.441 nan 8.290 nan 0.000 0.567 971 T N -2.455 112.149 114.554 0.083 0.000 3.086 971 T HA 0.162 4.512 4.350 0.000 0.000 0.250 971 T C 0.713 175.465 174.700 0.087 0.000 1.074 971 T CA -0.154 61.987 62.100 0.067 0.000 0.988 971 T CB 0.022 68.916 68.868 0.044 0.000 0.988 971 T HN 0.150 nan 8.240 nan 0.000 0.530 972 N N 2.661 121.441 118.700 0.134 0.000 2.415 972 N HA 0.126 4.866 4.740 0.000 0.000 0.246 972 N C -0.683 174.941 175.510 0.190 0.000 1.078 972 N CA -0.340 52.800 53.050 0.151 0.000 0.942 972 N CB 0.728 39.321 38.487 0.176 0.000 1.140 972 N HN 0.508 nan 8.380 nan 0.000 0.501 973 E N 3.623 123.897 120.200 0.124 0.000 2.200 973 E HA 0.169 4.519 4.350 0.000 0.000 0.283 973 E C -1.225 175.449 176.600 0.124 0.000 1.015 973 E CA -0.628 55.816 56.400 0.073 0.000 0.819 973 E CB 0.399 30.108 29.700 0.015 0.000 1.081 973 E HN 0.629 nan 8.360 nan 0.000 0.397 974 Y N 0.883 121.173 120.300 -0.016 0.000 2.442 974 Y HA 0.546 5.096 4.550 0.000 0.000 0.344 974 Y C -0.660 175.227 175.900 -0.021 0.000 0.976 974 Y CA -1.279 56.801 58.100 -0.034 0.000 1.040 974 Y CB 1.051 39.475 38.460 -0.060 0.000 1.228 974 Y HN 0.158 nan 8.280 nan 0.000 0.451 975 S N 2.943 118.659 115.700 0.025 0.000 2.617 975 S HA 0.434 4.904 4.470 0.000 0.000 0.269 975 S C 0.923 175.541 174.600 0.029 0.000 1.292 975 S CA -0.259 57.924 58.200 -0.028 0.000 1.010 975 S CB 0.721 63.899 63.200 -0.036 0.000 0.944 975 S HN 0.853 nan 8.310 nan 0.000 0.536 976 I N -1.907 118.663 120.570 -0.001 0.000 4.607 976 I HA 0.506 4.676 4.170 0.000 0.000 0.324 976 I C -0.448 175.631 176.117 -0.063 0.000 1.279 976 I CA 0.058 61.364 61.300 0.009 0.000 1.286 976 I CB 0.295 38.318 38.000 0.039 0.000 1.265 976 I HN 0.327 nan 8.210 nan 0.000 0.446 977 I N 1.150 121.689 120.570 -0.051 0.000 2.571 977 I HA 0.547 4.717 4.170 0.000 0.000 0.289 977 I C -0.758 175.338 176.117 -0.035 0.000 1.115 977 I CA -0.559 60.690 61.300 -0.086 0.000 1.045 977 I CB 2.112 40.061 38.000 -0.086 0.000 1.238 977 I HN 0.103 nan 8.210 nan 0.000 0.424 978 S N 2.463 118.010 115.700 -0.255 0.000 2.565 978 S HA 0.481 4.951 4.470 0.000 0.000 0.269 978 S C -0.007 174.140 174.600 -0.754 0.000 1.153 978 S CA -0.075 57.827 58.200 -0.495 0.000 0.835 978 S CB 1.882 64.906 63.200 -0.295 0.000 1.122 978 S HN 0.728 nan 8.310 nan 0.000 0.462 979 S N 2.297 117.362 115.700 -1.058 0.000 2.629 979 S HA 0.415 4.885 4.470 0.000 0.000 0.236 979 S C 0.126 174.416 174.600 -0.516 0.000 1.010 979 S CA -0.467 57.225 58.200 -0.847 0.000 0.981 979 S CB -0.375 62.099 63.200 -1.210 0.000 0.919 979 S HN 0.630 nan 8.310 nan 0.000 0.514 980 M N 2.302 121.646 119.600 -0.426 0.000 2.180 980 M HA 0.477 4.957 4.480 0.000 0.000 0.358 980 M C 0.006 176.188 176.300 -0.197 0.000 1.233 980 M CA -0.506 54.633 55.300 -0.268 0.000 1.114 980 M CB 1.127 33.593 32.600 -0.223 0.000 1.594 980 M HN -0.004 nan 8.290 nan 0.000 0.467 987 I N 2.253 122.800 120.570 -0.038 0.000 3.059 987 I HA 0.238 4.409 4.170 0.000 0.000 0.270 987 I C 1.117 177.203 176.117 -0.051 0.000 1.238 987 I CA 1.430 62.706 61.300 -0.039 0.000 1.478 987 I CB -0.172 37.808 38.000 -0.034 0.000 1.097 987 I HN 0.561 nan 8.210 nan 0.000 0.455 988 G N 2.213 110.975 108.800 -0.063 0.000 2.324 988 G HA2 -0.270 3.690 3.960 0.000 0.000 0.292 988 G HA3 -0.270 3.690 3.960 0.000 0.000 0.292 988 G C 0.204 175.047 174.900 -0.094 0.000 1.079 988 G CA 0.646 45.695 45.100 -0.084 0.000 1.026 988 G HN 0.493 nan 8.290 nan 0.000 0.506 989 S N -0.384 115.263 115.700 -0.089 0.000 2.592 989 S HA 0.848 5.318 4.470 0.000 0.000 0.271 989 S C 1.078 175.604 174.600 -0.124 0.000 1.326 989 S CA 1.390 59.538 58.200 -0.088 0.000 1.024 989 S CB 1.339 64.495 63.200 -0.074 0.000 0.921 989 S HN 2.380 nan 8.310 nan 0.000 0.527 990 G N 2.582 111.317 108.800 -0.110 0.000 2.250 990 G HA2 0.078 4.038 3.960 0.000 0.000 0.252 990 G HA3 0.078 4.038 3.960 0.000 0.000 0.252 990 G C -1.197 173.647 174.900 -0.093 0.000 1.325 990 G CA -0.248 44.760 45.100 -0.154 0.000 1.091 990 G HN 1.119 nan 8.290 nan 0.000 0.476 991 W N 0.087 121.293 121.300 -0.156 0.000 2.975 991 W HA 0.831 5.491 4.660 -0.000 0.000 0.342 991 W C -0.147 176.189 176.519 -0.305 0.000 1.168 991 W CA -0.593 56.553 57.345 -0.332 0.000 1.141 991 W CB 1.366 30.623 29.460 -0.338 0.000 1.445 991 W HN 1.597 nan 8.180 nan 0.000 0.560 992 S N 0.037 115.692 115.700 -0.074 0.000 2.550 992 S HA 0.643 5.113 4.470 0.000 0.000 0.270 992 S C -1.824 172.872 174.600 0.161 0.000 1.145 992 S CA -0.791 57.439 58.200 0.050 0.000 0.852 992 S CB 1.895 65.039 63.200 -0.093 0.000 1.119 992 S HN 0.473 nan 8.310 nan 0.000 0.465 993 V N 2.820 122.923 119.914 0.314 0.000 2.384 993 V HA 0.826 4.946 4.120 0.000 0.000 0.287 993 V C 0.105 176.282 176.094 0.138 0.000 1.020 993 V CA -0.092 62.425 62.300 0.361 0.000 0.850 993 V CB 0.972 33.062 31.823 0.444 0.000 0.987 993 V HN 1.189 nan 8.190 nan 0.000 0.436 994 S N 5.604 121.347 115.700 0.072 0.000 2.661 994 S HA 0.904 5.374 4.470 0.000 0.000 0.285 994 S C -1.182 173.317 174.600 -0.167 0.000 1.138 994 S CA -0.911 57.233 58.200 -0.093 0.000 0.855 994 S CB 2.086 65.229 63.200 -0.095 0.000 1.136 994 S HN 0.407 nan 8.310 nan 0.000 0.484 995 L N 0.634 121.580 121.223 -0.462 0.000 2.401 995 L HA 0.673 5.013 4.340 0.000 0.000 0.266 995 L C -0.670 175.962 176.870 -0.398 0.000 0.991 995 L CA -0.546 54.032 54.840 -0.437 0.000 0.818 995 L CB 2.312 44.033 42.059 -0.563 0.000 1.321 995 L HN 0.843 nan 8.230 nan 0.000 0.413 996 K N 2.078 122.403 120.400 -0.125 0.000 2.690 996 K HA 0.546 4.866 4.320 0.000 0.000 0.243 996 K C 0.252 176.875 176.600 0.040 0.000 0.982 996 K CA 0.294 56.577 56.287 -0.006 0.000 0.955 996 K CB 1.300 33.802 32.500 0.002 0.000 1.185 996 K HN 0.772 nan 8.250 nan 0.000 0.467 997 G N 3.786 112.646 108.800 0.099 0.000 2.591 997 G HA2 -0.377 3.583 3.960 0.000 0.000 0.298 997 G HA3 -0.377 3.583 3.960 0.000 0.000 0.298 997 G C 0.111 175.046 174.900 0.059 0.000 1.195 997 G CA 0.405 45.559 45.100 0.090 0.000 0.989 997 G HN 0.745 nan 8.290 nan 0.000 0.551 998 N N 2.098 120.816 118.700 0.030 0.000 2.376 998 N HA 0.230 4.971 4.740 0.000 0.000 0.249 998 N C -0.545 174.958 175.510 -0.012 0.000 1.140 998 N CA -0.265 52.794 53.050 0.015 0.000 0.870 998 N CB 0.084 38.570 38.487 -0.002 0.000 1.124 998 N HN 0.325 nan 8.380 nan 0.000 0.505 999 N N 1.262 119.962 118.700 0.000 0.000 2.372 999 N HA 0.252 4.992 4.740 0.000 0.000 0.291 999 N C -1.330 174.212 175.510 0.054 0.000 1.024 999 N CA -0.520 52.531 53.050 0.001 0.000 0.873 999 N CB 2.466 40.948 38.487 -0.007 0.000 1.206 999 N HN 0.051 nan 8.380 nan 0.000 0.486 1000 L N 3.173 124.485 121.223 0.149 0.000 2.296 1000 L HA 0.609 4.949 4.340 0.000 0.000 0.286 1000 L C -0.983 175.991 176.870 0.174 0.000 1.023 1000 L CA -0.339 54.604 54.840 0.173 0.000 0.812 1000 L CB 0.583 42.795 42.059 0.254 0.000 1.223 1000 L HN 0.446 nan 8.230 nan 0.000 0.421 1001 I N 5.125 125.779 120.570 0.140 0.000 2.465 1001 I HA 0.306 4.476 4.170 0.000 0.000 0.291 1001 I C -1.216 175.051 176.117 0.250 0.000 1.014 1001 I CA -0.480 60.915 61.300 0.158 0.000 1.093 1001 I CB 1.759 39.803 38.000 0.074 0.000 1.267 1001 I HN 0.673 nan 8.210 nan 0.000 0.431 1002 W N 6.768 128.106 121.300 0.064 0.000 2.429 1002 W HA 0.563 5.223 4.660 0.000 0.000 0.314 1002 W C -1.467 175.107 176.519 0.092 0.000 1.062 1002 W CA -0.371 57.026 57.345 0.088 0.000 1.211 1002 W CB 1.943 31.428 29.460 0.042 0.000 1.305 1002 W HN 0.404 nan 8.180 nan 0.000 0.476 1003 T N 6.830 121.053 114.554 -0.551 0.000 2.861 1003 T HA 0.554 4.904 4.350 0.000 0.000 0.287 1003 T C -0.568 173.790 174.700 -0.570 0.000 1.003 1003 T CA -0.571 61.272 62.100 -0.429 0.000 0.977 1003 T CB 1.834 70.583 68.868 -0.199 0.000 0.996 1003 T HN 0.309 nan 8.240 nan 0.000 0.448 1004 L N 2.698 123.743 121.223 -0.296 0.000 2.362 1004 L HA 0.657 4.997 4.340 0.000 0.000 0.275 1004 L C -0.273 176.569 176.870 -0.047 0.000 0.998 1004 L CA -0.850 53.919 54.840 -0.118 0.000 0.820 1004 L CB 2.100 44.182 42.059 0.039 0.000 1.270 1004 L HN 0.442 nan 8.230 nan 0.000 0.415 1005 K N 2.432 122.814 120.400 -0.030 0.000 2.507 1005 K HA 0.323 4.643 4.320 0.000 0.000 0.252 1005 K C -1.280 175.309 176.600 -0.018 0.000 0.943 1005 K CA -0.639 55.631 56.287 -0.029 0.000 0.808 1005 K CB 1.848 34.316 32.500 -0.054 0.000 1.142 1005 K HN 0.642 nan 8.250 nan 0.000 0.426 1006 D N 1.806 122.202 120.400 -0.005 0.000 2.451 1006 D HA 0.014 4.654 4.640 0.000 0.000 0.259 1006 D C 0.932 177.218 176.300 -0.025 0.000 1.201 1006 D CA -0.311 53.682 54.000 -0.012 0.000 1.028 1006 D CB 0.958 41.764 40.800 0.011 0.000 1.095 1006 D HN 0.415 nan 8.370 nan 0.000 0.539 1007 S N -1.328 114.354 115.700 -0.031 0.000 2.469 1007 S HA -0.090 4.380 4.470 0.000 0.000 0.238 1007 S C 1.673 176.265 174.600 -0.013 0.000 0.998 1007 S CA 0.602 58.785 58.200 -0.029 0.000 0.957 1007 S CB -0.678 62.504 63.200 -0.030 0.000 0.764 1007 S HN 0.660 nan 8.310 nan 0.000 0.514 1008 A N 0.407 123.225 122.820 -0.003 0.000 2.275 1008 A HA 0.619 4.939 4.320 0.000 0.000 0.212 1008 A C 1.709 179.291 177.584 -0.003 0.000 1.201 1008 A CA 0.406 52.444 52.037 0.002 0.000 0.843 1008 A CB -0.814 18.193 19.000 0.012 0.000 0.873 1008 A HN 1.452 nan 8.150 nan 0.000 0.492 1009 G N -0.479 108.316 108.800 -0.009 0.000 2.176 1009 G HA2 -0.244 3.716 3.960 0.000 0.000 0.253 1009 G HA3 -0.244 3.716 3.960 0.000 0.000 0.253 1009 G C 0.067 174.962 174.900 -0.008 0.000 0.979 1009 G CA 0.392 45.484 45.100 -0.013 0.000 0.641 1009 G HN 0.652 nan 8.290 nan 0.000 0.530 1010 E N 0.349 120.549 120.200 0.000 0.000 2.384 1010 E HA 0.519 4.869 4.350 0.000 0.000 0.266 1010 E C 0.232 176.834 176.600 0.005 0.000 1.012 1010 E CA -0.044 56.360 56.400 0.007 0.000 0.901 1010 E CB 1.049 30.760 29.700 0.018 0.000 0.967 1010 E HN 0.385 nan 8.360 nan 0.000 0.435 1011 V N 5.684 125.601 119.914 0.005 0.000 2.823 1011 V HA 0.626 4.746 4.120 0.000 0.000 0.312 1011 V C -0.387 175.714 176.094 0.011 0.000 1.072 1011 V CA -0.943 61.357 62.300 -0.001 0.000 0.937 1011 V CB 2.040 33.855 31.823 -0.013 0.000 1.013 1011 V HN 0.588 nan 8.190 nan 0.000 0.430 1012 R N 2.807 123.315 120.500 0.012 0.000 2.621 1012 R HA 0.666 5.006 4.340 0.000 0.000 0.284 1012 R C -1.224 175.093 176.300 0.029 0.000 0.998 1012 R CA -0.623 55.498 56.100 0.035 0.000 0.895 1012 R CB 2.390 32.728 30.300 0.063 0.000 1.195 1012 R HN 0.794 nan 8.270 nan 0.000 0.450 1013 Q N 1.831 121.663 119.800 0.052 0.000 2.456 1013 Q HA 0.602 4.942 4.340 0.000 0.000 0.284 1013 Q C -0.695 175.375 176.000 0.116 0.000 1.061 1013 Q CA -0.873 54.973 55.803 0.071 0.000 0.799 1013 Q CB 3.300 32.062 28.738 0.040 0.000 1.445 1013 Q HN 0.449 nan 8.270 nan 0.000 0.411 1014 I N 1.295 121.968 120.570 0.171 0.000 2.439 1014 I HA 0.326 4.497 4.170 0.000 0.000 0.285 1014 I C -0.801 175.405 176.117 0.148 0.000 1.021 1014 I CA -0.441 60.949 61.300 0.149 0.000 1.091 1014 I CB 2.163 40.258 38.000 0.159 0.000 1.242 1014 I HN 0.446 nan 8.210 nan 0.000 0.439 1015 T N 6.391 121.013 114.554 0.113 0.000 2.772 1015 T HA 0.348 4.698 4.350 0.000 0.000 0.288 1015 T C -0.685 174.098 174.700 0.139 0.000 0.994 1015 T CA -0.277 61.888 62.100 0.109 0.000 0.951 1015 T CB 0.593 69.495 68.868 0.057 0.000 0.933 1015 T HN 0.242 nan 8.240 nan 0.000 0.447 1016 F N 4.257 124.213 119.950 0.010 0.000 2.385 1016 F HA 0.626 5.153 4.527 0.000 0.000 0.360 1016 F C 0.018 175.830 175.800 0.019 0.000 1.122 1016 F CA -1.421 56.577 58.000 -0.002 0.000 1.090 1016 F CB 0.607 39.590 39.000 -0.028 0.000 1.150 1016 F HN 0.276 nan 8.300 nan 0.000 0.472 1017 R N 4.248 124.347 120.500 -0.668 0.000 2.202 1017 R HA 0.209 4.549 4.340 0.000 0.000 0.334 1017 R C -0.598 175.116 176.300 -0.976 0.000 1.036 1017 R CA -0.530 55.228 56.100 -0.570 0.000 0.878 1017 R CB 0.193 30.320 30.300 -0.287 0.000 1.067 1017 R HN 0.578 nan 8.270 nan 0.000 0.457 1018 D N 1.790 121.798 120.400 -0.654 0.000 2.368 1018 D HA 0.039 4.679 4.640 0.000 0.000 0.240 1018 D C -0.002 176.191 176.300 -0.179 0.000 1.169 1018 D CA -0.145 53.632 54.000 -0.372 0.000 0.906 1018 D CB 0.771 41.556 40.800 -0.026 0.000 1.187 1018 D HN 0.286 nan 8.370 nan 0.000 0.435 1019 L N 3.621 124.826 121.223 -0.029 0.000 2.506 1019 L HA 0.064 4.404 4.340 0.000 0.000 0.281 1019 L C -1.292 175.544 176.870 -0.057 0.000 1.228 1019 L CA -1.121 53.708 54.840 -0.018 0.000 0.850 1019 L CB 0.152 42.212 42.059 0.000 0.000 1.110 1019 L HN 0.455 nan 8.230 nan 0.000 0.496 1020 P HA -0.109 nan 4.420 nan 0.000 0.217 1020 P C 0.055 177.121 177.300 -0.389 0.000 1.151 1020 P CA 0.896 63.935 63.100 -0.102 0.000 0.828 1020 P CB 0.119 31.861 31.700 0.070 0.000 0.788 1021 D N 0.268 120.356 120.400 -0.519 0.000 2.383 1021 D HA -0.018 4.622 4.640 0.000 0.000 0.245 1021 D C 0.896 177.130 176.300 -0.111 0.000 1.263 1021 D CA 0.050 53.675 54.000 -0.625 0.000 0.936 1021 D CB 0.307 40.931 40.800 -0.294 0.000 1.053 1021 D HN -0.190 nan 8.370 nan 0.000 0.507 1022 K N 3.047 123.471 120.400 0.039 0.000 2.360 1022 K HA -0.140 4.181 4.320 0.000 0.000 0.201 1022 K C 1.522 178.353 176.600 0.385 0.000 1.046 1022 K CA 0.291 56.663 56.287 0.142 0.000 0.945 1022 K CB -0.371 32.103 32.500 -0.042 0.000 0.750 1022 K HN 0.475 nan 8.250 nan 0.000 0.464 1023 F N 2.094 122.247 119.950 0.337 0.000 2.234 1023 F HA -0.083 4.444 4.527 0.000 0.000 0.299 1023 F C 1.142 177.046 175.800 0.174 0.000 1.087 1023 F CA 1.136 59.334 58.000 0.330 0.000 1.340 1023 F CB 0.202 39.342 39.000 0.234 0.000 1.031 1023 F HN 0.045 nan 8.300 nan 0.000 0.500 1024 N N 0.154 118.937 118.700 0.138 0.000 2.184 1024 N HA 0.237 4.977 4.740 0.000 0.000 0.206 1024 N C 0.308 175.658 175.510 -0.267 0.000 1.151 1024 N CA 0.508 53.526 53.050 -0.053 0.000 0.878 1024 N CB 0.207 38.729 38.487 0.058 0.000 1.014 1024 N HN 0.153 nan 8.380 nan 0.000 0.512 1025 A N 0.025 122.739 122.820 -0.176 0.000 2.346 1025 A HA 0.240 4.560 4.320 0.000 0.000 0.252 1025 A C 0.387 177.788 177.584 -0.304 0.000 1.089 1025 A CA -0.003 51.888 52.037 -0.245 0.000 0.797 1025 A CB 0.203 19.175 19.000 -0.047 0.000 1.047 1025 A HN 0.181 nan 8.150 nan 0.000 0.494 1026 Y N -0.159 120.232 120.300 0.152 0.000 2.503 1026 Y HA 0.189 4.739 4.550 0.000 0.000 0.278 1026 Y C 0.909 176.889 175.900 0.134 0.000 1.111 1026 Y CA 0.497 58.680 58.100 0.139 0.000 1.270 1026 Y CB 0.064 38.609 38.460 0.142 0.000 1.063 1026 Y HN 0.384 nan 8.280 nan 0.000 0.548 1027 L N 0.141 121.507 121.223 0.238 0.000 3.096 1027 L HA 0.537 4.877 4.340 0.000 0.000 0.247 1027 L C 0.351 177.274 176.870 0.088 0.000 1.321 1027 L CA -0.260 54.675 54.840 0.160 0.000 1.044 1027 L CB 0.076 42.227 42.059 0.152 0.000 1.434 1027 L HN 0.023 nan 8.230 nan 0.000 0.533 1028 A N 0.437 123.323 122.820 0.109 0.000 3.176 1028 A HA 0.275 4.595 4.320 0.000 0.000 0.265 1028 A C 0.816 178.549 177.584 0.248 0.000 0.936 1028 A CA -0.305 51.802 52.037 0.116 0.000 1.033 1028 A CB -0.112 18.968 19.000 0.133 0.000 1.158 1028 A HN 0.618 nan 8.150 nan 0.000 0.485 1029 N N -0.641 118.126 118.700 0.111 0.000 2.965 1029 N HA -0.139 4.601 4.740 0.000 0.000 0.232 1029 N C -0.252 175.343 175.510 0.141 0.000 0.913 1029 N CA 1.141 54.198 53.050 0.011 0.000 0.981 1029 N CB -0.574 37.785 38.487 -0.214 0.000 1.077 1029 N HN 0.673 nan 8.380 nan 0.000 0.589 1030 K N -0.016 120.529 120.400 0.242 0.000 2.118 1030 K HA 0.216 4.536 4.320 0.000 0.000 0.254 1030 K C -0.666 176.108 176.600 0.290 0.000 0.961 1030 K CA -0.512 55.962 56.287 0.311 0.000 0.876 1030 K CB 0.796 33.453 32.500 0.262 0.000 1.077 1030 K HN 0.065 nan 8.250 nan 0.000 0.440 1031 W N 2.576 124.121 121.300 0.408 0.000 2.303 1031 W HA 0.161 4.822 4.660 0.000 0.000 0.318 1031 W C 0.198 177.131 176.519 0.690 0.000 1.362 1031 W CA -0.316 57.323 57.345 0.489 0.000 1.234 1031 W CB 0.678 30.348 29.460 0.349 0.000 1.248 1031 W HN 0.219 nan 8.180 nan 0.000 0.546 1032 V N 2.145 122.569 119.914 0.851 0.000 2.962 1032 V HA 0.568 4.688 4.120 0.000 0.000 0.313 1032 V C -1.339 174.849 176.094 0.156 0.000 1.099 1032 V CA -1.476 61.128 62.300 0.506 0.000 0.971 1032 V CB 1.926 33.924 31.823 0.291 0.000 1.028 1032 V HN 0.286 nan 8.190 nan 0.000 0.430 1033 F N 4.640 124.212 119.950 -0.630 0.000 2.385 1033 F HA 0.736 5.263 4.527 0.000 0.000 0.360 1033 F C -0.309 175.007 175.800 -0.807 0.000 1.122 1033 F CA -1.537 55.781 58.000 -1.137 0.000 1.090 1033 F CB 0.872 38.957 39.000 -1.526 0.000 1.150 1033 F HN 0.398 nan 8.300 nan 0.000 0.472 1034 I N 5.033 124.808 120.570 -1.326 0.000 2.385 1034 I HA 0.373 4.543 4.170 0.000 0.000 0.294 1034 I C -0.157 175.106 176.117 -1.423 0.000 0.988 1034 I CA -0.361 60.178 61.300 -1.268 0.000 1.265 1034 I CB 1.368 38.517 38.000 -1.419 0.000 1.388 1034 I HN 0.504 nan 8.210 nan 0.000 0.480 1035 T N 6.952 120.935 114.554 -0.953 0.000 3.109 1035 T HA 0.596 4.946 4.350 0.000 0.000 0.311 1035 T C -0.299 174.101 174.700 -0.500 0.000 1.011 1035 T CA -0.302 61.355 62.100 -0.737 0.000 1.026 1035 T CB 1.486 69.945 68.868 -0.681 0.000 1.047 1035 T HN 0.272 nan 8.240 nan 0.000 0.448 1036 I N 3.559 123.784 120.570 -0.575 0.000 2.420 1036 I HA 0.350 4.520 4.170 0.000 0.000 0.282 1036 I C 0.654 176.359 176.117 -0.686 0.000 1.019 1036 I CA -0.735 60.134 61.300 -0.719 0.000 1.130 1036 I CB 1.751 38.984 38.000 -1.279 0.000 1.262 1036 I HN 0.649 nan 8.210 nan 0.000 0.454 1037 T N 1.993 116.274 114.554 -0.456 0.000 2.909 1037 T HA 0.464 4.814 4.350 0.000 0.000 0.286 1037 T C -0.227 174.221 174.700 -0.419 0.000 1.002 1037 T CA -0.818 61.043 62.100 -0.398 0.000 1.074 1037 T CB 1.330 70.066 68.868 -0.221 0.000 0.984 1037 T HN 0.447 nan 8.240 nan 0.000 0.495 1038 N N 2.444 120.877 118.700 -0.444 0.000 2.540 1038 N HA 0.196 4.936 4.740 0.000 0.000 0.275 1038 N C -1.828 173.595 175.510 -0.146 0.000 1.053 1038 N CA -0.504 52.344 53.050 -0.337 0.000 0.876 1038 N CB 1.987 40.091 38.487 -0.639 0.000 1.284 1038 N HN 0.736 nan 8.380 nan 0.000 0.518 1039 D N 2.148 122.515 120.400 -0.056 0.000 2.427 1039 D HA 0.203 4.843 4.640 0.000 0.000 0.226 1039 D C 1.070 177.400 176.300 0.048 0.000 1.076 1039 D CA -0.349 53.653 54.000 0.005 0.000 0.849 1039 D CB 0.825 41.623 40.800 -0.003 0.000 1.052 1039 D HN 0.181 nan 8.370 nan 0.000 0.515 1040 R N 2.926 123.482 120.500 0.093 0.000 2.200 1040 R HA -0.035 4.305 4.340 0.000 0.000 0.234 1040 R C 1.431 177.785 176.300 0.090 0.000 1.127 1040 R CA 0.606 56.777 56.100 0.119 0.000 0.989 1040 R CB -0.228 30.171 30.300 0.164 0.000 0.869 1040 R HN 0.568 nan 8.270 nan 0.000 0.459 1041 L N 0.164 121.428 121.223 0.069 0.000 2.567 1041 L HA 0.034 4.374 4.340 0.000 0.000 0.225 1041 L C 1.444 178.338 176.870 0.039 0.000 1.119 1041 L CA 0.423 55.294 54.840 0.053 0.000 0.871 1041 L CB -0.029 42.057 42.059 0.045 0.000 1.036 1041 L HN 0.212 nan 8.230 nan 0.000 0.459 1042 S N -1.754 113.968 115.700 0.036 0.000 4.167 1042 S HA 0.358 4.828 4.470 0.000 0.000 0.168 1042 S C 0.315 174.929 174.600 0.023 0.000 1.032 1042 S CA 0.263 58.477 58.200 0.024 0.000 1.146 1042 S CB 0.674 63.882 63.200 0.012 0.000 1.888 1042 S HN 0.179 nan 8.310 nan 0.000 0.844 1043 S N 0.305 116.010 115.700 0.009 0.000 2.720 1043 S HA 0.876 5.346 4.470 0.000 0.000 0.287 1043 S C -0.915 173.676 174.600 -0.015 0.000 1.168 1043 S CA -0.508 57.696 58.200 0.006 0.000 0.832 1043 S CB 1.131 64.327 63.200 -0.007 0.000 1.166 1043 S HN 1.455 nan 8.310 nan 0.000 0.493 1044 A N 1.083 123.896 122.820 -0.011 0.000 2.317 1044 A HA 0.766 5.087 4.320 0.000 0.000 0.327 1044 A C -0.611 176.898 177.584 -0.124 0.000 1.178 1044 A CA -0.810 51.191 52.037 -0.059 0.000 0.817 1044 A CB 0.328 19.370 19.000 0.069 0.000 1.189 1044 A HN 0.727 nan 8.150 nan 0.000 0.489 1045 N N 1.583 120.159 118.700 -0.208 0.000 2.296 1045 N HA 0.370 5.110 4.740 0.000 0.000 0.294 1045 N C -1.592 173.674 175.510 -0.407 0.000 1.033 1045 N CA -0.361 52.507 53.050 -0.304 0.000 0.839 1045 N CB 2.383 40.707 38.487 -0.271 0.000 1.395 1045 N HN 0.674 nan 8.380 nan 0.000 0.479 1046 L N 2.952 123.874 121.223 -0.502 0.000 2.282 1046 L HA 0.497 4.837 4.340 0.000 0.000 0.288 1046 L C -1.411 175.075 176.870 -0.641 0.000 1.033 1046 L CA -0.599 53.951 54.840 -0.484 0.000 0.807 1046 L CB 0.343 42.184 42.059 -0.363 0.000 1.209 1046 L HN 0.447 nan 8.230 nan 0.000 0.423 1047 Y N 4.875 124.865 120.300 -0.516 0.000 2.485 1047 Y HA 0.602 5.152 4.550 0.000 0.000 0.345 1047 Y C -0.151 175.347 175.900 -0.670 0.000 0.998 1047 Y CA -0.803 56.976 58.100 -0.536 0.000 1.059 1047 Y CB 1.967 40.150 38.460 -0.461 0.000 1.234 1047 Y HN 0.338 nan 8.280 nan 0.000 0.461 1048 I N 2.666 122.901 120.570 -0.559 0.000 2.478 1048 I HA 0.239 4.409 4.170 0.000 0.000 0.287 1048 I C -0.707 175.026 176.117 -0.640 0.000 1.042 1048 I CA -0.952 59.923 61.300 -0.707 0.000 1.067 1048 I CB 1.602 39.002 38.000 -1.000 0.000 1.233 1048 I HN 0.692 nan 8.210 nan 0.000 0.431 1049 N N 4.769 123.041 118.700 -0.714 0.000 2.727 1049 N HA -0.198 4.542 4.740 0.000 0.000 0.249 1049 N C 0.953 175.940 175.510 -0.872 0.000 1.048 1049 N CA 1.409 53.804 53.050 -1.092 0.000 0.714 1049 N CB -1.007 37.174 38.487 -0.509 0.000 0.959 1049 N HN 1.176 nan 8.380 nan 0.000 0.544 1050 G N -3.033 105.411 108.800 -0.593 0.000 2.189 1050 G HA2 -0.334 3.626 3.960 0.000 0.000 0.267 1050 G HA3 -0.334 3.626 3.960 0.000 0.000 0.267 1050 G C 0.065 174.920 174.900 -0.076 0.000 0.975 1050 G CA 0.533 45.485 45.100 -0.248 0.000 0.644 1050 G HN 0.547 nan 8.290 nan 0.000 0.537 1051 V N 1.342 121.181 119.914 -0.126 0.000 2.435 1051 V HA 0.609 4.729 4.120 0.000 0.000 0.290 1051 V C 0.631 176.634 176.094 -0.151 0.000 1.030 1051 V CA -0.871 61.382 62.300 -0.078 0.000 0.881 1051 V CB 1.690 33.438 31.823 -0.125 0.000 0.983 1051 V HN 0.425 nan 8.190 nan 0.000 0.445 1052 L N 6.258 127.374 121.223 -0.179 0.000 2.477 1052 L HA 0.176 4.516 4.340 0.000 0.000 0.272 1052 L C 0.827 177.457 176.870 -0.399 0.000 1.157 1052 L CA 1.030 55.547 54.840 -0.538 0.000 0.889 1052 L CB 0.486 42.267 42.059 -0.463 0.000 1.158 1052 L HN 0.608 nan 8.230 nan 0.000 0.473 1053 M N 3.704 123.006 119.600 -0.496 0.000 2.449 1053 M HA 0.443 4.924 4.480 0.000 0.000 0.262 1053 M C 0.691 176.885 176.300 -0.176 0.000 1.152 1053 M CA 0.375 55.455 55.300 -0.367 0.000 1.104 1053 M CB 0.052 32.148 32.600 -0.841 0.000 1.416 1053 M HN 0.651 nan 8.290 nan 0.000 0.519 1054 G N -0.513 108.126 108.800 -0.268 0.000 2.646 1054 G HA2 0.532 4.492 3.960 0.000 0.000 0.291 1054 G HA3 0.532 4.492 3.960 0.000 0.000 0.291 1054 G C -1.703 173.080 174.900 -0.195 0.000 1.445 1054 G CA -0.288 44.730 45.100 -0.136 0.000 0.814 1054 G HN 0.032 nan 8.290 nan 0.000 0.495 1055 S N -1.469 114.168 115.700 -0.105 0.000 2.565 1055 S HA 0.905 5.376 4.470 0.000 0.000 0.269 1055 S C -1.277 173.306 174.600 -0.027 0.000 1.153 1055 S CA 0.333 58.474 58.200 -0.098 0.000 0.835 1055 S CB 1.572 64.700 63.200 -0.121 0.000 1.122 1055 S HN 2.366 nan 8.310 nan 0.000 0.462 1056 A N 2.261 125.077 122.820 -0.006 0.000 2.491 1056 A HA 0.616 4.936 4.320 0.000 0.000 0.293 1056 A C -0.864 176.737 177.584 0.029 0.000 1.047 1056 A CA -0.565 51.487 52.037 0.025 0.000 0.735 1056 A CB 1.248 20.284 19.000 0.061 0.000 1.281 1056 A HN 0.817 nan 8.150 nan 0.000 0.398 1057 E N 1.679 121.894 120.200 0.025 0.000 2.384 1057 E HA 0.301 4.651 4.350 0.000 0.000 0.266 1057 E C 0.491 177.118 176.600 0.046 0.000 1.012 1057 E CA 0.154 56.571 56.400 0.028 0.000 0.901 1057 E CB 0.327 30.041 29.700 0.023 0.000 0.967 1057 E HN 0.641 nan 8.360 nan 0.000 0.435 1058 I N 0.748 121.350 120.570 0.054 0.000 4.050 1058 I HA 0.182 4.352 4.170 0.000 0.000 0.327 1058 I C 0.334 176.495 176.117 0.073 0.000 1.473 1058 I CA -0.691 60.653 61.300 0.073 0.000 1.124 1058 I CB 0.367 38.428 38.000 0.101 0.000 1.129 1058 I HN 0.245 nan 8.210 nan 0.000 0.428 1059 T N -1.001 113.588 114.554 0.059 0.000 2.918 1059 T HA 0.512 4.862 4.350 0.000 0.000 0.302 1059 T C 1.198 175.932 174.700 0.056 0.000 1.045 1059 T CA 0.469 62.605 62.100 0.059 0.000 1.114 1059 T CB 1.311 70.206 68.868 0.045 0.000 0.965 1059 T HN 0.780 nan 8.240 nan 0.000 0.540 1060 G N 1.394 110.230 108.800 0.060 0.000 2.179 1060 G HA2 -0.170 3.790 3.960 0.000 0.000 0.220 1060 G HA3 -0.170 3.790 3.960 0.000 0.000 0.220 1060 G C -0.098 174.839 174.900 0.061 0.000 0.990 1060 G CA -0.203 44.930 45.100 0.054 0.000 0.646 1060 G HN 0.828 nan 8.290 nan 0.000 0.517 1061 L N 1.091 122.360 121.223 0.076 0.000 2.312 1061 L HA 0.647 4.988 4.340 0.000 0.000 0.281 1061 L C 1.522 178.452 176.870 0.100 0.000 1.070 1061 L CA -0.177 54.711 54.840 0.079 0.000 0.805 1061 L CB 1.280 43.393 42.059 0.090 0.000 1.174 1061 L HN 0.212 nan 8.230 nan 0.000 0.434 1062 G N 1.432 110.284 108.800 0.086 0.000 2.666 1062 G HA2 0.512 4.473 3.960 0.000 0.000 0.207 1062 G HA3 0.512 4.473 3.960 0.000 0.000 0.207 1062 G C -0.246 174.706 174.900 0.088 0.000 1.481 1062 G CA -0.175 44.998 45.100 0.122 0.000 1.071 1062 G HN 0.737 nan 8.290 nan 0.000 0.572 1063 A N -0.850 121.991 122.820 0.036 0.000 2.462 1063 A HA 0.498 4.818 4.320 0.000 0.000 0.243 1063 A C -0.021 177.418 177.584 -0.242 0.000 1.076 1063 A CA -0.087 51.744 52.037 -0.342 0.000 0.773 1063 A CB -0.066 18.695 19.000 -0.398 0.000 1.010 1063 A HN 0.420 nan 8.150 nan 0.000 0.493 1064 I N 2.884 123.273 120.570 -0.303 0.000 2.307 1064 I HA 0.213 4.383 4.170 0.000 0.000 0.287 1064 I C 0.222 176.234 176.117 -0.175 0.000 1.054 1064 I CA 0.007 61.216 61.300 -0.152 0.000 1.218 1064 I CB 0.736 38.699 38.000 -0.061 0.000 1.398 1064 I HN 0.638 nan 8.210 nan 0.000 0.475 1065 R N 6.684 127.104 120.500 -0.134 0.000 2.522 1065 R HA 0.188 4.529 4.340 0.000 0.000 0.290 1065 R C 0.058 176.305 176.300 -0.089 0.000 1.216 1065 R CA -0.389 55.647 56.100 -0.107 0.000 1.250 1065 R CB 0.662 30.903 30.300 -0.097 0.000 1.143 1065 R HN 0.633 nan 8.270 nan 0.000 0.553 1066 E N 0.748 120.891 120.200 -0.094 0.000 2.322 1066 E HA 0.124 4.474 4.350 0.000 0.000 0.257 1066 E C -0.630 175.903 176.600 -0.113 0.000 1.155 1066 E CA -0.865 55.451 56.400 -0.140 0.000 0.936 1066 E CB 0.730 30.305 29.700 -0.208 0.000 1.130 1066 E HN 0.125 nan 8.360 nan 0.000 0.465 1067 D N -0.447 119.861 120.400 -0.153 0.000 2.357 1067 D HA -0.056 4.585 4.640 0.000 0.000 0.242 1067 D C 0.718 176.952 176.300 -0.112 0.000 1.153 1067 D CA -0.178 53.753 54.000 -0.115 0.000 0.918 1067 D CB 0.676 41.395 40.800 -0.135 0.000 1.181 1067 D HN 0.496 nan 8.370 nan 0.000 0.435 1068 N N 1.435 120.087 118.700 -0.079 0.000 2.512 1068 N HA -0.089 4.651 4.740 0.000 0.000 0.183 1068 N C -0.722 174.696 175.510 -0.154 0.000 1.073 1068 N CA 0.470 53.441 53.050 -0.132 0.000 0.911 1068 N CB -0.074 38.367 38.487 -0.076 0.000 0.964 1068 N HN 0.359 nan 8.380 nan 0.000 0.447 1069 N N 0.141 118.791 118.700 -0.084 0.000 2.319 1069 N HA 0.340 5.080 4.740 0.000 0.000 0.305 1069 N C -0.749 174.690 175.510 -0.118 0.000 1.103 1069 N CA -0.410 52.608 53.050 -0.054 0.000 0.815 1069 N CB 2.140 40.635 38.487 0.013 0.000 1.288 1069 N HN -0.033 nan 8.380 nan 0.000 0.493 1070 I N 1.357 121.874 120.570 -0.088 0.000 2.330 1070 I HA 0.190 4.360 4.170 0.000 0.000 0.289 1070 I C -0.092 175.932 176.117 -0.155 0.000 1.001 1070 I CA -0.282 60.933 61.300 -0.142 0.000 1.193 1070 I CB 1.229 39.246 38.000 0.030 0.000 1.345 1070 I HN 0.198 nan 8.210 nan 0.000 0.461 1071 T N 7.425 121.850 114.554 -0.215 0.000 2.758 1071 T HA 0.474 4.824 4.350 0.000 0.000 0.285 1071 T C -0.264 174.310 174.700 -0.210 0.000 0.981 1071 T CA -0.446 61.541 62.100 -0.188 0.000 0.965 1071 T CB 0.966 69.728 68.868 -0.177 0.000 0.927 1071 T HN 0.140 nan 8.240 nan 0.000 0.448 1072 L N 4.521 125.627 121.223 -0.196 0.000 2.264 1072 L HA 0.609 4.950 4.340 0.000 0.000 0.287 1072 L C 0.125 176.917 176.870 -0.130 0.000 1.039 1072 L CA 0.193 54.918 54.840 -0.191 0.000 0.829 1072 L CB 0.358 42.295 42.059 -0.204 0.000 1.211 1072 L HN 0.554 nan 8.230 nan 0.000 0.427 1073 K N 3.107 123.441 120.400 -0.110 0.000 2.639 1073 K HA 0.386 4.706 4.320 0.000 0.000 0.279 1073 K C -1.682 174.890 176.600 -0.048 0.000 0.976 1073 K CA -0.740 55.492 56.287 -0.091 0.000 0.861 1073 K CB 1.294 33.716 32.500 -0.131 0.000 1.436 1073 K HN 0.337 nan 8.250 nan 0.000 0.400 1074 L N 3.144 124.347 121.223 -0.034 0.000 2.385 1074 L HA 0.220 4.560 4.340 0.000 0.000 0.281 1074 L C -0.319 176.541 176.870 -0.016 0.000 1.106 1074 L CA -0.192 54.659 54.840 0.017 0.000 0.856 1074 L CB 0.361 42.383 42.059 -0.061 0.000 1.186 1074 L HN 0.589 nan 8.230 nan 0.000 0.453 1075 D N 4.187 124.606 120.400 0.032 0.000 2.381 1075 D HA 0.339 4.979 4.640 0.000 0.000 0.235 1075 D C 0.200 176.517 176.300 0.029 0.000 1.068 1075 D CA -0.379 53.618 54.000 -0.006 0.000 0.832 1075 D CB 0.654 41.435 40.800 -0.031 0.000 1.101 1075 D HN 0.432 nan 8.370 nan 0.000 0.515 1076 R N 1.601 122.091 120.500 -0.016 0.000 3.774 1076 R HA -0.166 4.174 4.340 0.000 0.000 0.320 1076 R C -0.692 175.595 176.300 -0.022 0.000 1.175 1076 R CA 0.404 56.497 56.100 -0.011 0.000 0.849 1076 R CB -2.559 27.751 30.300 0.017 0.000 1.365 1076 R HN 0.486 nan 8.270 nan 0.000 0.502 1077 C N 1.246 120.466 119.300 -0.132 0.000 2.325 1077 C HA 0.281 4.741 4.460 0.000 0.000 0.347 1077 C C 1.548 176.332 174.990 -0.344 0.000 1.263 1077 C CA -0.756 58.039 59.018 -0.371 0.000 1.806 1077 C CB 0.173 27.443 27.740 -0.784 0.000 2.405 1077 C HN 0.398 nan 8.230 nan 0.000 0.537 1078 N N 3.293 121.799 118.700 -0.323 0.000 2.494 1078 N HA -0.035 4.705 4.740 0.000 0.000 0.182 1078 N C 0.110 175.278 175.510 -0.570 0.000 1.076 1078 N CA 0.520 53.404 53.050 -0.276 0.000 0.908 1078 N CB -0.212 38.260 38.487 -0.026 0.000 0.967 1078 N HN 0.726 nan 8.380 nan 0.000 0.449 1079 N N 1.831 119.939 118.700 -0.986 0.000 2.437 1079 N HA 0.090 4.830 4.740 0.000 0.000 0.243 1079 N C 0.452 175.613 175.510 -0.581 0.000 1.041 1079 N CA -0.120 52.225 53.050 -1.176 0.000 0.940 1079 N CB 0.190 37.829 38.487 -1.412 0.000 1.133 1079 N HN -0.066 nan 8.380 nan 0.000 0.506 1080 N N 2.668 121.155 118.700 -0.355 0.000 2.364 1080 N HA -0.090 4.650 4.740 0.000 0.000 0.183 1080 N C 0.043 175.462 175.510 -0.152 0.000 1.022 1080 N CA 0.740 53.668 53.050 -0.204 0.000 0.883 1080 N CB 0.155 38.576 38.487 -0.110 0.000 0.965 1080 N HN 0.561 nan 8.380 nan 0.000 0.438 1081 N N 0.706 119.308 118.700 -0.164 0.000 2.270 1081 N HA -0.027 4.713 4.740 0.000 0.000 0.198 1081 N C 0.297 175.761 175.510 -0.077 0.000 1.117 1081 N CA 0.024 53.047 53.050 -0.046 0.000 0.845 1081 N CB 0.337 38.845 38.487 0.035 0.000 0.980 1081 N HN 0.294 nan 8.380 nan 0.000 0.486 1082 Q N 1.267 120.921 119.800 -0.243 0.000 2.373 1082 Q HA 0.159 4.499 4.340 0.000 0.000 0.255 1082 Q C -1.053 174.850 176.000 -0.161 0.000 0.980 1082 Q CA -0.011 55.598 55.803 -0.322 0.000 0.882 1082 Q CB 0.263 28.708 28.738 -0.489 0.000 1.249 1082 Q HN 0.303 nan 8.270 nan 0.000 0.438 1083 Y N 0.422 120.650 120.300 -0.120 0.000 2.656 1083 Y HA 0.707 5.257 4.550 0.000 0.000 0.334 1083 Y C -1.501 174.346 175.900 -0.088 0.000 1.179 1083 Y CA -1.156 56.853 58.100 -0.152 0.000 1.050 1083 Y CB 0.505 38.863 38.460 -0.170 0.000 1.308 1083 Y HN 0.494 nan 8.280 nan 0.000 0.456 1084 V N -1.501 118.488 119.914 0.125 0.000 3.188 1084 V HA 0.921 5.041 4.120 0.000 0.000 0.305 1084 V C -1.045 175.129 176.094 0.133 0.000 1.232 1084 V CA -0.888 61.495 62.300 0.138 0.000 1.043 1084 V CB 1.772 33.665 31.823 0.117 0.000 1.068 1084 V HN 0.949 nan 8.190 nan 0.000 0.439 1085 S N 1.971 117.771 115.700 0.167 0.000 2.521 1085 S HA 0.856 5.326 4.470 0.000 0.000 0.295 1085 S C -0.727 174.093 174.600 0.367 0.000 1.098 1085 S CA -0.458 57.897 58.200 0.258 0.000 0.999 1085 S CB 1.261 64.531 63.200 0.116 0.000 1.034 1085 S HN 0.729 nan 8.310 nan 0.000 0.483 1086 I N 2.259 123.117 120.570 0.480 0.000 2.582 1086 I HA 0.523 4.693 4.170 0.000 0.000 0.292 1086 I C -1.129 175.308 176.117 0.533 0.000 1.066 1086 I CA -0.541 61.081 61.300 0.536 0.000 1.053 1086 I CB 2.262 40.430 38.000 0.279 0.000 1.241 1086 I HN 0.447 nan 8.210 nan 0.000 0.421 1087 D N 5.059 125.807 120.400 0.580 0.000 2.645 1087 D HA 0.361 5.001 4.640 0.000 0.000 0.228 1087 D C -0.647 175.882 176.300 0.382 0.000 1.148 1087 D CA -0.343 53.854 54.000 0.328 0.000 0.860 1087 D CB 1.495 42.277 40.800 -0.031 0.000 1.548 1087 D HN 0.304 nan 8.370 nan 0.000 0.460 1088 K N 1.479 122.029 120.400 0.250 0.000 3.035 1088 K HA -0.242 4.078 4.320 0.000 0.000 0.262 1088 K C -0.070 176.748 176.600 0.364 0.000 1.024 1088 K CA 0.233 56.677 56.287 0.262 0.000 0.748 1088 K CB -2.415 30.165 32.500 0.133 0.000 1.247 1088 K HN 0.442 nan 8.250 nan 0.000 0.482 1089 F N 1.514 121.615 119.950 0.253 0.000 2.623 1089 F HA 0.050 4.577 4.527 0.000 0.000 0.383 1089 F C 0.881 176.798 175.800 0.194 0.000 1.077 1089 F CA 0.639 58.784 58.000 0.243 0.000 1.268 1089 F CB 0.356 39.443 39.000 0.145 0.000 1.053 1089 F HN 0.223 nan 8.300 nan 0.000 0.571 1090 R N 6.403 126.560 120.500 -0.571 0.000 2.668 1090 R HA 0.649 4.989 4.340 0.000 0.000 0.272 1090 R C -1.888 174.056 176.300 -0.594 0.000 1.019 1090 R CA -0.745 55.080 56.100 -0.457 0.000 0.894 1090 R CB 1.397 31.593 30.300 -0.173 0.000 1.228 1090 R HN 0.746 nan 8.270 nan 0.000 0.460 1091 I N 3.553 123.814 120.570 -0.515 0.000 2.545 1091 I HA 0.449 4.619 4.170 0.000 0.000 0.292 1091 I C -1.084 174.809 176.117 -0.372 0.000 1.040 1091 I CA -0.764 60.355 61.300 -0.301 0.000 1.068 1091 I CB 1.811 39.741 38.000 -0.116 0.000 1.251 1091 I HN 0.426 nan 8.210 nan 0.000 0.424 1092 F N 3.178 123.124 119.950 -0.007 0.000 2.538 1092 F HA 0.306 4.833 4.527 0.000 0.000 0.325 1092 F C 0.903 176.747 175.800 0.073 0.000 1.066 1092 F CA -0.911 57.102 58.000 0.021 0.000 0.946 1092 F CB 1.370 40.361 39.000 -0.015 0.000 1.199 1092 F HN 0.505 nan 8.300 nan 0.000 0.473 1093 c N -0.056 118.699 118.600 0.257 0.000 2.319 1093 c HA 0.552 5.122 4.570 0.000 0.000 0.350 1093 c C -0.111 174.104 174.090 0.209 0.000 1.326 1093 c CA -0.649 55.806 56.329 0.211 0.000 1.737 1093 c CB -2.338 40.262 42.510 0.150 0.000 1.988 1093 c HN 0.806 nan 8.230 nan 0.000 0.582 1094 K N -0.968 119.550 120.400 0.196 0.000 2.555 1094 K HA 0.718 5.038 4.320 0.000 0.000 0.279 1094 K C -1.185 175.430 176.600 0.024 0.000 0.986 1094 K CA -0.471 55.885 56.287 0.116 0.000 0.880 1094 K CB 1.295 33.856 32.500 0.103 0.000 1.474 1094 K HN -0.010 nan 8.250 nan 0.000 0.433 1095 A N 2.873 125.681 122.820 -0.021 0.000 2.415 1095 A HA 0.377 4.697 4.320 0.000 0.000 0.309 1095 A C -0.046 177.455 177.584 -0.138 0.000 1.356 1095 A CA -0.801 51.173 52.037 -0.104 0.000 0.998 1095 A CB -0.502 18.451 19.000 -0.077 0.000 1.145 1095 A HN 0.595 nan 8.150 nan 0.000 0.545 1096 L N 3.342 124.421 121.223 -0.239 0.000 2.485 1096 L HA 0.077 4.417 4.340 0.000 0.000 0.275 1096 L C 1.071 177.786 176.870 -0.257 0.000 1.207 1096 L CA -0.116 54.546 54.840 -0.297 0.000 0.855 1096 L CB 0.184 41.953 42.059 -0.483 0.000 1.114 1096 L HN 0.902 nan 8.230 nan 0.000 0.485 1097 N N 2.147 120.722 118.700 -0.209 0.000 2.476 1097 N HA 0.272 5.012 4.740 0.000 0.000 0.275 1097 N C -2.322 173.049 175.510 -0.231 0.000 1.190 1097 N CA -1.714 51.237 53.050 -0.166 0.000 0.977 1097 N CB 1.238 39.667 38.487 -0.096 0.000 1.200 1097 N HN 0.212 nan 8.380 nan 0.000 0.515 1098 P HA -0.210 nan 4.420 nan 0.000 0.218 1098 P C 0.928 178.128 177.300 -0.167 0.000 1.154 1098 P CA 1.917 64.898 63.100 -0.198 0.000 0.872 1098 P CB 0.124 31.790 31.700 -0.058 0.000 0.790 1099 K N -0.362 119.969 120.400 -0.116 0.000 2.057 1099 K HA -0.176 4.145 4.320 0.000 0.000 0.207 1099 K C 2.083 178.613 176.600 -0.117 0.000 1.049 1099 K CA 1.518 57.750 56.287 -0.092 0.000 0.931 1099 K CB -0.374 32.086 32.500 -0.067 0.000 0.714 1099 K HN 0.303 nan 8.250 nan 0.000 0.440 1100 E N 0.721 120.828 120.200 -0.154 0.000 2.072 1100 E HA -0.147 4.203 4.350 0.000 0.000 0.191 1100 E C 2.047 178.523 176.600 -0.207 0.000 0.985 1100 E CA 0.952 57.242 56.400 -0.183 0.000 0.801 1100 E CB -0.119 29.447 29.700 -0.223 0.000 0.750 1100 E HN 0.288 nan 8.360 nan 0.000 0.452 1101 I N 1.066 121.476 120.570 -0.268 0.000 2.286 1101 I HA -0.237 3.933 4.170 0.000 0.000 0.248 1101 I C 2.546 178.613 176.117 -0.085 0.000 1.115 1101 I CA 0.983 62.124 61.300 -0.265 0.000 1.392 1101 I CB -0.133 37.542 38.000 -0.541 0.000 1.065 1101 I HN 0.065 nan 8.210 nan 0.000 0.418 1102 E N 1.647 121.800 120.200 -0.077 0.000 2.051 1102 E HA -0.268 4.082 4.350 0.000 0.000 0.192 1102 E C 2.020 178.632 176.600 0.020 0.000 0.991 1102 E CA 1.580 57.996 56.400 0.028 0.000 0.799 1102 E CB -0.045 29.653 29.700 -0.002 0.000 0.748 1102 E HN 0.124 nan 8.360 nan 0.000 0.449 1103 K N 0.138 120.510 120.400 -0.046 0.000 2.057 1103 K HA -0.020 4.300 4.320 0.000 0.000 0.206 1103 K C 2.149 178.692 176.600 -0.095 0.000 1.050 1103 K CA 1.069 57.311 56.287 -0.075 0.000 0.935 1103 K CB -0.531 31.916 32.500 -0.089 0.000 0.715 1103 K HN 0.255 nan 8.250 nan 0.000 0.439 1104 L N -0.144 121.038 121.223 -0.069 0.000 1.970 1104 L HA -0.230 4.111 4.340 0.000 0.000 0.212 1104 L C 2.189 178.995 176.870 -0.106 0.000 1.071 1104 L CA 1.962 56.768 54.840 -0.057 0.000 0.751 1104 L CB -0.588 41.514 42.059 0.071 0.000 0.889 1104 L HN 0.318 nan 8.230 nan 0.000 0.432 1105 Y N 1.425 121.612 120.300 -0.188 0.000 2.053 1105 Y HA -0.340 4.210 4.550 0.000 0.000 0.277 1105 Y C 2.882 178.718 175.900 -0.107 0.000 1.159 1105 Y CA 2.520 60.403 58.100 -0.361 0.000 1.125 1105 Y CB -1.127 37.278 38.460 -0.091 0.000 0.969 1105 Y HN 0.419 nan 8.280 nan 0.000 0.492 1106 T N -1.844 112.526 114.554 -0.307 0.000 3.007 1106 T HA -0.131 4.219 4.350 0.000 0.000 0.270 1106 T C 2.014 176.587 174.700 -0.212 0.000 1.107 1106 T CA 1.194 63.084 62.100 -0.351 0.000 1.118 1106 T CB -1.044 67.682 68.868 -0.236 0.000 0.889 1106 T HN 0.501 nan 8.240 nan 0.000 0.506 1107 S N 0.141 115.701 115.700 -0.234 0.000 2.474 1107 S HA -0.048 4.422 4.470 0.000 0.000 0.235 1107 S C 1.516 175.938 174.600 -0.297 0.000 0.997 1107 S CA 0.124 58.154 58.200 -0.284 0.000 0.949 1107 S CB -0.801 62.171 63.200 -0.379 0.000 0.766 1107 S HN 0.614 nan 8.310 nan 0.000 0.517 1108 Y N 1.376 121.627 120.300 -0.081 0.000 2.517 1108 Y HA 0.427 4.977 4.550 0.000 0.000 0.281 1108 Y C 1.018 176.832 175.900 -0.143 0.000 1.125 1108 Y CA -0.276 57.778 58.100 -0.076 0.000 1.283 1108 Y CB -0.181 38.318 38.460 0.066 0.000 1.042 1108 Y HN 0.205 nan 8.280 nan 0.000 0.547 1109 L N 1.920 123.149 121.223 0.010 0.000 2.511 1109 L HA 0.087 4.427 4.340 0.000 0.000 0.239 1109 L C 0.528 177.386 176.870 -0.020 0.000 1.400 1109 L CA -0.401 54.422 54.840 -0.027 0.000 1.226 1109 L CB -0.975 41.052 42.059 -0.054 0.000 1.475 1109 L HN 0.098 nan 8.230 nan 0.000 0.428 1110 S N -0.201 115.497 115.700 -0.004 0.000 2.589 1110 S HA 0.088 4.558 4.470 0.000 0.000 0.306 1110 S C 1.083 175.725 174.600 0.070 0.000 1.221 1110 S CA -0.478 57.751 58.200 0.049 0.000 1.159 1110 S CB -0.007 63.266 63.200 0.122 0.000 0.990 1110 S HN 0.486 nan 8.310 nan 0.000 0.514 1111 I N 2.460 123.038 120.570 0.014 0.000 3.241 1111 I HA -0.109 4.061 4.170 0.000 0.000 0.280 1111 I C 2.295 178.373 176.117 -0.064 0.000 1.320 1111 I CA 0.828 62.120 61.300 -0.013 0.000 1.413 1111 I CB -1.272 36.709 38.000 -0.031 0.000 1.060 1111 I HN 0.821 nan 8.210 nan 0.000 0.500 1112 T N -1.829 112.651 114.554 -0.123 0.000 3.054 1112 T HA 0.095 4.445 4.350 0.000 0.000 0.259 1112 T C 0.415 174.787 174.700 -0.546 0.000 1.092 1112 T CA 0.148 62.018 62.100 -0.384 0.000 1.121 1112 T CB -0.220 68.292 68.868 -0.594 0.000 0.912 1112 T HN 0.075 nan 8.240 nan 0.000 0.489 1113 F N 1.749 121.693 119.950 -0.011 0.000 2.444 1113 F HA 0.601 5.128 4.527 0.000 0.000 0.342 1113 F C 0.147 175.927 175.800 -0.033 0.000 1.121 1113 F CA -1.693 56.312 58.000 0.009 0.000 0.997 1113 F CB 1.027 40.002 39.000 -0.043 0.000 1.130 1113 F HN -0.079 nan 8.300 nan 0.000 0.454 1114 L N 3.949 125.224 121.223 0.087 0.000 2.453 1114 L HA 0.517 4.857 4.340 0.000 0.000 0.261 1114 L C 0.201 177.068 176.870 -0.006 0.000 1.179 1114 L CA -0.505 54.330 54.840 -0.010 0.000 0.813 1114 L CB 0.631 42.614 42.059 -0.126 0.000 1.110 1114 L HN 0.638 nan 8.230 nan 0.000 0.466 1115 R N 0.027 120.511 120.500 -0.026 0.000 2.854 1115 R HA 0.367 4.707 4.340 0.000 0.000 0.271 1115 R C -1.232 175.052 176.300 -0.026 0.000 0.994 1115 R CA -0.984 55.089 56.100 -0.044 0.000 0.945 1115 R CB 1.724 31.953 30.300 -0.118 0.000 1.194 1115 R HN 0.667 nan 8.270 nan 0.000 0.476 1116 D N 0.240 120.646 120.400 0.010 0.000 2.478 1116 D HA -0.027 4.613 4.640 0.000 0.000 0.269 1116 D C 0.702 177.078 176.300 0.128 0.000 1.232 1116 D CA -0.625 53.427 54.000 0.087 0.000 1.059 1116 D CB 0.249 41.196 40.800 0.245 0.000 1.104 1116 D HN 0.388 nan 8.370 nan 0.000 0.566 1117 F N -0.539 119.352 119.950 -0.099 0.000 2.192 1117 F HA -0.079 4.448 4.527 0.000 0.000 0.301 1117 F C 1.373 177.018 175.800 -0.258 0.000 1.079 1117 F CA 1.162 58.976 58.000 -0.311 0.000 1.303 1117 F CB -0.204 38.325 39.000 -0.786 0.000 1.024 1117 F HN 0.410 nan 8.300 nan 0.000 0.494 1118 W N -0.511 120.845 121.300 0.093 0.000 2.905 1118 W HA 0.298 4.958 4.660 0.000 0.000 0.251 1118 W C 1.887 178.361 176.519 -0.075 0.000 1.305 1118 W CA 0.527 57.870 57.345 -0.004 0.000 1.465 1118 W CB -0.239 29.286 29.460 0.108 0.000 1.122 1118 W HN 0.189 nan 8.180 nan 0.000 0.659 1119 G N -0.176 108.478 108.800 -0.243 0.000 2.179 1119 G HA2 -0.258 3.702 3.960 0.000 0.000 0.220 1119 G HA3 -0.258 3.702 3.960 0.000 0.000 0.220 1119 G C 0.135 174.908 174.900 -0.212 0.000 0.990 1119 G CA -0.446 44.135 45.100 -0.864 0.000 0.646 1119 G HN 0.130 nan 8.290 nan 0.000 0.517 1120 N N 1.186 119.944 118.700 0.097 0.000 2.434 1120 N HA 0.502 5.242 4.740 0.000 0.000 0.266 1120 N C -2.708 172.821 175.510 0.031 0.000 1.223 1120 N CA -1.438 51.683 53.050 0.119 0.000 0.972 1120 N CB 0.675 39.323 38.487 0.268 0.000 1.207 1120 N HN 0.012 nan 8.380 nan 0.000 0.525 1121 P HA 0.043 nan 4.420 nan 0.000 0.265 1121 P C 0.022 177.389 177.300 0.111 0.000 1.193 1121 P CA 0.093 63.215 63.100 0.036 0.000 0.765 1121 P CB 0.616 32.322 31.700 0.011 0.000 0.823 1122 L N 4.567 125.825 121.223 0.057 0.000 2.426 1122 L HA 0.169 4.509 4.340 0.000 0.000 0.271 1122 L C 0.791 177.713 176.870 0.087 0.000 1.169 1122 L CA 0.182 55.020 54.840 -0.004 0.000 0.836 1122 L CB 0.260 42.174 42.059 -0.241 0.000 1.112 1122 L HN 0.378 nan 8.230 nan 0.000 0.465 1123 R N 3.230 123.862 120.500 0.221 0.000 2.803 1123 R HA 0.372 4.712 4.340 0.000 0.000 0.276 1123 R C -1.094 175.294 176.300 0.146 0.000 0.978 1123 R CA -0.846 55.366 56.100 0.187 0.000 0.939 1123 R CB 1.371 31.817 30.300 0.243 0.000 1.179 1123 R HN 0.332 nan 8.270 nan 0.000 0.472 1124 Y N 0.919 121.321 120.300 0.170 0.000 2.299 1124 Y HA 0.006 4.556 4.550 0.000 0.000 0.335 1124 Y C 0.780 176.754 175.900 0.123 0.000 1.287 1124 Y CA 0.524 58.709 58.100 0.143 0.000 1.424 1124 Y CB 0.564 39.071 38.460 0.078 0.000 1.326 1124 Y HN 0.651 nan 8.280 nan 0.000 0.567 1125 D N 0.024 120.604 120.400 0.301 0.000 2.737 1125 D HA -0.182 4.458 4.640 0.000 0.000 0.233 1125 D C -0.751 175.599 176.300 0.084 0.000 1.155 1125 D CA 1.156 55.249 54.000 0.155 0.000 0.667 1125 D CB -1.608 39.257 40.800 0.108 0.000 1.060 1125 D HN 0.425 nan 8.370 nan 0.000 0.427 1126 T N 0.353 114.949 114.554 0.071 0.000 2.861 1126 T HA 0.334 4.685 4.350 0.000 0.000 0.287 1126 T C 0.159 174.705 174.700 -0.256 0.000 1.003 1126 T CA -0.779 61.246 62.100 -0.125 0.000 0.977 1126 T CB 2.267 71.001 68.868 -0.223 0.000 0.996 1126 T HN -0.061 nan 8.240 nan 0.000 0.448 1127 E N 1.832 121.868 120.200 -0.273 0.000 2.316 1127 E HA 0.317 4.667 4.350 0.000 0.000 0.275 1127 E C -1.191 175.183 176.600 -0.377 0.000 1.029 1127 E CA -0.131 56.133 56.400 -0.228 0.000 0.871 1127 E CB 0.656 30.243 29.700 -0.189 0.000 1.022 1127 E HN 0.498 nan 8.360 nan 0.000 0.418 1128 Y N 1.135 121.453 120.300 0.030 0.000 2.492 1128 Y HA 0.271 4.822 4.550 0.000 0.000 0.346 1128 Y C -0.862 175.003 175.900 -0.059 0.000 0.997 1128 Y CA -0.926 57.219 58.100 0.075 0.000 1.025 1128 Y CB 1.160 39.774 38.460 0.256 0.000 1.263 1128 Y HN 0.424 nan 8.280 nan 0.000 0.454 1129 Y N 2.762 123.244 120.300 0.303 0.000 2.323 1129 Y HA 0.504 5.054 4.550 0.000 0.000 0.331 1129 Y C -0.211 175.716 175.900 0.046 0.000 1.092 1129 Y CA -0.601 57.622 58.100 0.206 0.000 1.150 1129 Y CB 0.914 39.471 38.460 0.163 0.000 1.200 1129 Y HN 0.345 nan 8.280 nan 0.000 0.472 1130 L N 5.166 126.450 121.223 0.102 0.000 2.307 1130 L HA 0.537 4.877 4.340 0.000 0.000 0.282 1130 L C -0.642 176.326 176.870 0.163 0.000 1.051 1130 L CA -0.439 54.322 54.840 -0.133 0.000 0.804 1130 L CB 1.034 42.680 42.059 -0.687 0.000 1.197 1130 L HN 0.545 nan 8.230 nan 0.000 0.431 1131 I N 4.875 125.605 120.570 0.266 0.000 2.499 1131 I HA 0.324 4.494 4.170 0.000 0.000 0.288 1131 I C -2.373 173.869 176.117 0.209 0.000 1.048 1131 I CA -1.964 59.493 61.300 0.262 0.000 1.062 1131 I CB 2.769 40.895 38.000 0.210 0.000 1.238 1131 I HN 0.331 nan 8.210 nan 0.000 0.426 1132 P HA 0.084 nan 4.420 nan 0.000 0.276 1132 P C 0.890 177.975 177.300 -0.359 0.000 1.253 1132 P CA -0.104 62.606 63.100 -0.650 0.000 0.766 1132 P CB 1.747 32.974 31.700 -0.790 0.000 0.845 1133 V N 4.164 123.764 119.914 -0.523 0.000 2.380 1133 V HA -0.283 3.837 4.120 0.000 0.000 0.251 1133 V C 2.565 178.554 176.094 -0.175 0.000 1.063 1133 V CA 2.814 64.854 62.300 -0.434 0.000 1.055 1133 V CB -1.557 29.913 31.823 -0.588 0.000 0.657 1133 V HN 0.632 nan 8.190 nan 0.000 0.455 1134 A N -1.203 121.472 122.820 -0.242 0.000 2.168 1134 A HA 0.035 4.355 4.320 0.000 0.000 0.215 1134 A C 1.472 178.995 177.584 -0.102 0.000 1.152 1134 A CA 1.290 53.239 52.037 -0.147 0.000 0.716 1134 A CB -0.080 18.820 19.000 -0.167 0.000 0.794 1134 A HN 0.500 nan 8.150 nan 0.000 0.465 1135 S N -0.661 114.968 115.700 -0.117 0.000 2.486 1135 S HA 0.144 4.614 4.470 0.000 0.000 0.144 1135 S C 0.806 175.362 174.600 -0.074 0.000 1.542 1135 S CA 0.090 58.241 58.200 -0.081 0.000 1.262 1135 S CB 0.609 63.754 63.200 -0.091 0.000 1.462 1135 S HN 0.650 nan 8.310 nan 0.000 0.381 1136 S N 0.921 116.597 115.700 -0.041 0.000 2.493 1136 S HA -0.118 4.352 4.470 0.000 0.000 0.243 1136 S C 1.673 176.086 174.600 -0.312 0.000 0.991 1136 S CA 1.094 59.233 58.200 -0.101 0.000 0.957 1136 S CB -0.419 62.778 63.200 -0.005 0.000 0.756 1136 S HN 0.681 nan 8.310 nan 0.000 0.521 1137 S N 0.183 115.768 115.700 -0.192 0.000 2.605 1137 S HA 0.285 4.755 4.470 0.000 0.000 0.217 1137 S C 0.280 174.820 174.600 -0.100 0.000 0.958 1137 S CA -0.621 57.478 58.200 -0.169 0.000 0.919 1137 S CB -0.097 63.048 63.200 -0.092 0.000 0.780 1137 S HN 0.273 nan 8.310 nan 0.000 0.507 1138 K N 1.874 122.227 120.400 -0.077 0.000 2.207 1138 K HA 0.532 4.852 4.320 0.000 0.000 0.255 1138 K C -1.113 175.491 176.600 0.007 0.000 0.941 1138 K CA -0.494 55.782 56.287 -0.020 0.000 0.825 1138 K CB 1.261 33.763 32.500 0.003 0.000 1.119 1138 K HN 0.155 nan 8.250 nan 0.000 0.430 1139 D N 0.520 120.939 120.400 0.030 0.000 2.384 1139 D HA 0.378 5.018 4.640 0.000 0.000 0.250 1139 D C -0.451 175.902 176.300 0.088 0.000 1.029 1139 D CA -0.640 53.398 54.000 0.063 0.000 0.990 1139 D CB 1.817 42.643 40.800 0.043 0.000 1.175 1139 D HN -0.008 nan 8.370 nan 0.000 0.532 1140 V N 1.161 121.154 119.914 0.131 0.000 2.427 1140 V HA 0.374 4.494 4.120 0.000 0.000 0.286 1140 V C 0.016 176.102 176.094 -0.013 0.000 1.034 1140 V CA -0.456 61.908 62.300 0.108 0.000 0.893 1140 V CB 1.473 33.443 31.823 0.245 0.000 0.982 1140 V HN 0.394 nan 8.190 nan 0.000 0.452 1141 Q N 3.126 122.776 119.800 -0.250 0.000 2.458 1141 Q HA 0.730 5.070 4.340 0.000 0.000 0.282 1141 Q C -1.638 174.090 176.000 -0.454 0.000 1.106 1141 Q CA -0.631 54.930 55.803 -0.402 0.000 0.814 1141 Q CB 2.040 30.373 28.738 -0.674 0.000 1.425 1141 Q HN 0.629 nan 8.270 nan 0.000 0.437 1142 L N 1.986 123.020 121.223 -0.315 0.000 2.322 1142 L HA 0.529 4.869 4.340 0.000 0.000 0.281 1142 L C 0.352 177.121 176.870 -0.168 0.000 1.014 1142 L CA -0.185 54.496 54.840 -0.265 0.000 0.815 1142 L CB 1.472 43.306 42.059 -0.375 0.000 1.247 1142 L HN 0.795 nan 8.230 nan 0.000 0.421 1143 K N 3.057 123.349 120.400 -0.180 0.000 1.991 1143 K HA 0.148 4.468 4.320 0.000 0.000 0.207 1143 K C -0.064 176.427 176.600 -0.183 0.000 1.045 1143 K CA 1.398 57.562 56.287 -0.206 0.000 0.937 1143 K CB 0.163 32.239 32.500 -0.706 0.000 0.720 1143 K HN 0.724 nan 8.250 nan 0.000 0.438 1144 N N -0.928 117.635 118.700 -0.229 0.000 3.127 1144 N HA 0.129 4.869 4.740 0.000 0.000 0.239 1144 N C -1.383 173.980 175.510 -0.245 0.000 1.407 1144 N CA -0.616 52.311 53.050 -0.205 0.000 0.891 1144 N CB 0.881 39.300 38.487 -0.114 0.000 1.447 1144 N HN -0.136 nan 8.380 nan 0.000 0.507 1145 I N 1.848 122.254 120.570 -0.273 0.000 2.752 1145 I HA -0.071 4.099 4.170 0.000 0.000 0.287 1145 I C 1.698 177.730 176.117 -0.142 0.000 1.188 1145 I CA 1.531 62.655 61.300 -0.294 0.000 1.427 1145 I CB -0.426 37.406 38.000 -0.280 0.000 1.365 1145 I HN 0.937 nan 8.210 nan 0.000 0.585 1146 T N 1.073 115.576 114.554 -0.085 0.000 7.776 1146 T HA -0.215 4.135 4.350 0.000 0.000 0.302 1146 T C 0.354 175.119 174.700 0.108 0.000 2.093 1146 T CA 1.181 63.294 62.100 0.022 0.000 3.360 1146 T CB -1.314 67.522 68.868 -0.054 0.000 1.793 1146 T HN 0.569 nan 8.240 nan 0.000 1.076 1147 D N 0.744 121.162 120.400 0.031 0.000 2.560 1147 D HA 0.605 5.245 4.640 0.000 0.000 0.277 1147 D C 0.514 176.885 176.300 0.118 0.000 1.194 1147 D CA -0.376 53.678 54.000 0.091 0.000 1.092 1147 D CB 0.527 41.333 40.800 0.010 0.000 1.169 1147 D HN 0.607 nan 8.370 nan 0.000 0.607 1148 Y N -0.732 119.620 120.300 0.087 0.000 2.334 1148 Y HA 0.590 5.140 4.550 0.000 0.000 0.325 1148 Y C -0.109 175.890 175.900 0.165 0.000 1.308 1148 Y CA -0.853 57.322 58.100 0.126 0.000 1.389 1148 Y CB 0.373 38.922 38.460 0.148 0.000 1.328 1148 Y HN 0.087 nan 8.280 nan 0.000 0.532 1149 M N 2.157 121.967 119.600 0.349 0.000 2.598 1149 M HA 0.490 4.970 4.480 0.000 0.000 0.317 1149 M C -1.562 175.023 176.300 0.475 0.000 1.179 1149 M CA -0.863 54.575 55.300 0.231 0.000 0.936 1149 M CB 2.285 34.986 32.600 0.167 0.000 1.713 1149 M HN 0.856 nan 8.290 nan 0.000 0.460 1150 Y N -0.868 119.562 120.300 0.217 0.000 2.670 1150 Y HA 0.764 5.314 4.550 0.000 0.000 0.334 1150 Y C -1.933 174.078 175.900 0.185 0.000 1.185 1150 Y CA -1.589 56.659 58.100 0.248 0.000 1.053 1150 Y CB 0.878 39.516 38.460 0.297 0.000 1.298 1150 Y HN 0.532 nan 8.280 nan 0.000 0.459 1151 L N 2.368 123.768 121.223 0.294 0.000 2.375 1151 L HA 0.757 5.097 4.340 0.000 0.000 0.271 1151 L C -0.012 176.974 176.870 0.193 0.000 1.107 1151 L CA -0.542 54.399 54.840 0.168 0.000 0.806 1151 L CB 1.688 43.837 42.059 0.150 0.000 1.146 1151 L HN 0.966 nan 8.230 nan 0.000 0.447 1152 T N -2.083 112.528 114.554 0.095 0.000 2.900 1152 T HA 0.381 4.731 4.350 0.000 0.000 0.303 1152 T C -0.521 174.215 174.700 0.059 0.000 1.142 1152 T CA -1.109 61.054 62.100 0.106 0.000 1.007 1152 T CB 1.511 70.426 68.868 0.079 0.000 1.156 1152 T HN 0.359 nan 8.240 nan 0.000 0.490 1153 N N 1.351 120.083 118.700 0.054 0.000 2.497 1153 N HA 0.446 5.186 4.740 0.000 0.000 0.268 1153 N C 0.156 175.677 175.510 0.019 0.000 1.171 1153 N CA -0.147 52.918 53.050 0.026 0.000 0.948 1153 N CB 1.126 39.627 38.487 0.023 0.000 1.069 1153 N HN 0.972 nan 8.380 nan 0.000 0.460 1154 A N 3.988 126.807 122.820 -0.002 0.000 2.371 1154 A HA 0.380 4.700 4.320 0.000 0.000 0.257 1154 A C -1.719 175.874 177.584 0.015 0.000 1.089 1154 A CA -1.020 51.016 52.037 -0.002 0.000 0.794 1154 A CB -0.134 18.843 19.000 -0.038 0.000 1.029 1154 A HN 0.487 nan 8.150 nan 0.000 0.488 1155 P HA 0.248 nan 4.420 nan 0.000 0.272 1155 P C -0.302 177.038 177.300 0.066 0.000 1.240 1155 P CA -0.012 63.115 63.100 0.046 0.000 0.791 1155 P CB 0.988 32.722 31.700 0.057 0.000 0.978 1156 S N 0.215 115.952 115.700 0.063 0.000 2.634 1156 S HA 0.585 5.055 4.470 0.000 0.000 0.296 1156 S C -1.393 173.247 174.600 0.067 0.000 1.104 1156 S CA -0.702 57.544 58.200 0.078 0.000 0.920 1156 S CB 1.475 64.704 63.200 0.049 0.000 1.111 1156 S HN 0.522 nan 8.310 nan 0.000 0.493 1157 Y N 1.302 121.506 120.300 -0.159 0.000 2.409 1157 Y HA 0.647 5.197 4.550 0.000 0.000 0.343 1157 Y C -0.518 175.226 175.900 -0.259 0.000 0.973 1157 Y CA -0.109 57.822 58.100 -0.282 0.000 1.064 1157 Y CB 1.935 40.052 38.460 -0.572 0.000 1.207 1157 Y HN 1.108 nan 8.280 nan 0.000 0.452 1158 T N 3.229 117.214 114.554 -0.949 0.000 2.933 1158 T HA 0.416 4.766 4.350 0.000 0.000 0.305 1158 T C -1.640 172.589 174.700 -0.785 0.000 1.092 1158 T CA -0.974 60.741 62.100 -0.641 0.000 1.008 1158 T CB 1.611 70.287 68.868 -0.319 0.000 1.102 1158 T HN 0.671 nan 8.240 nan 0.000 0.469 1159 N N 1.047 119.484 118.700 -0.440 0.000 2.609 1159 N HA 0.304 5.044 4.740 0.000 0.000 0.268 1159 N C 1.217 176.669 175.510 -0.096 0.000 1.106 1159 N CA -0.146 52.753 53.050 -0.251 0.000 0.823 1159 N CB 1.610 40.031 38.487 -0.111 0.000 1.263 1159 N HN 0.951 nan 8.380 nan 0.000 0.533 1160 G N 2.556 111.300 108.800 -0.092 0.000 2.418 1160 G HA2 -0.279 3.681 3.960 0.000 0.000 0.217 1160 G HA3 -0.279 3.681 3.960 0.000 0.000 0.217 1160 G C 1.307 176.194 174.900 -0.021 0.000 1.158 1160 G CA 0.776 45.846 45.100 -0.051 0.000 0.771 1160 G HN 0.601 nan 8.290 nan 0.000 0.545 1161 K N 0.059 120.447 120.400 -0.019 0.000 2.020 1161 K HA -0.015 4.305 4.320 0.000 0.000 0.212 1161 K C 2.286 178.892 176.600 0.010 0.000 1.050 1161 K CA 1.213 57.498 56.287 -0.004 0.000 0.929 1161 K CB -0.290 32.210 32.500 -0.000 0.000 0.714 1161 K HN 0.362 nan 8.250 nan 0.000 0.443 1162 L N 0.428 121.663 121.223 0.021 0.000 2.558 1162 L HA 0.034 4.374 4.340 0.000 0.000 0.225 1162 L C 0.369 177.264 176.870 0.042 0.000 1.128 1162 L CA -0.035 54.827 54.840 0.036 0.000 0.868 1162 L CB -0.480 41.614 42.059 0.059 0.000 1.006 1162 L HN 0.384 nan 8.230 nan 0.000 0.454 1163 N N 1.448 120.173 118.700 0.042 0.000 2.727 1163 N HA -0.217 4.523 4.740 0.000 0.000 0.251 1163 N C -0.611 174.964 175.510 0.109 0.000 1.040 1163 N CA 0.678 53.770 53.050 0.069 0.000 0.712 1163 N CB -1.082 37.436 38.487 0.053 0.000 0.912 1163 N HN 0.602 nan 8.380 nan 0.000 0.545 1164 I N -2.037 118.608 120.570 0.125 0.000 2.865 1164 I HA 0.880 5.050 4.170 0.000 0.000 0.302 1164 I C -0.761 175.469 176.117 0.189 0.000 1.140 1164 I CA -1.137 60.241 61.300 0.130 0.000 1.021 1164 I CB 2.146 40.228 38.000 0.138 0.000 1.233 1164 I HN 0.122 nan 8.210 nan 0.000 0.427 1165 Y N 2.546 122.893 120.300 0.078 0.000 2.702 1165 Y HA 0.788 5.338 4.550 0.000 0.000 0.336 1165 Y C -2.014 173.989 175.900 0.172 0.000 1.203 1165 Y CA -1.434 56.637 58.100 -0.048 0.000 1.072 1165 Y CB 0.860 39.268 38.460 -0.087 0.000 1.327 1165 Y HN 0.894 nan 8.280 nan 0.000 0.456 1166 Y N -0.878 119.629 120.300 0.346 0.000 2.638 1166 Y HA 0.638 5.188 4.550 0.000 0.000 0.334 1166 Y C -1.270 174.830 175.900 0.334 0.000 1.182 1166 Y CA -2.109 56.187 58.100 0.328 0.000 1.102 1166 Y CB 0.700 39.398 38.460 0.397 0.000 1.343 1166 Y HN 0.848 nan 8.280 nan 0.000 0.463 1167 R N 1.215 121.979 120.500 0.440 0.000 2.442 1167 R HA 0.488 4.828 4.340 0.000 0.000 0.291 1167 R C -0.748 175.795 176.300 0.405 0.000 1.069 1167 R CA -0.563 55.677 56.100 0.233 0.000 1.022 1167 R CB 0.496 30.776 30.300 -0.033 0.000 0.976 1167 R HN 0.727 nan 8.270 nan 0.000 0.443 1168 R N 2.423 123.110 120.500 0.311 0.000 2.594 1168 R HA 0.229 4.569 4.340 0.000 0.000 0.272 1168 R C -0.054 176.280 176.300 0.057 0.000 1.074 1168 R CA -0.271 56.031 56.100 0.338 0.000 1.105 1168 R CB 0.342 30.783 30.300 0.234 0.000 1.008 1168 R HN 0.480 nan 8.270 nan 0.000 0.472 1169 L N 1.770 122.917 121.223 -0.126 0.000 2.335 1169 L HA 0.334 4.674 4.340 0.000 0.000 0.268 1169 L C -0.284 176.213 176.870 -0.622 0.000 1.016 1169 L CA -0.922 53.545 54.840 -0.622 0.000 0.805 1169 L CB 0.524 41.791 42.059 -1.320 0.000 1.311 1169 L HN 0.676 nan 8.230 nan 0.000 0.456 1170 Y N -1.254 118.704 120.300 -0.570 0.000 4.644 1170 Y HA -0.235 4.315 4.550 0.000 0.000 0.241 1170 Y C -0.019 175.363 175.900 -0.864 0.000 1.077 1170 Y CA -0.215 57.215 58.100 -1.117 0.000 2.080 1170 Y CB -2.673 35.527 38.460 -0.433 0.000 1.613 1170 Y HN 0.580 nan 8.280 nan 0.000 0.686 1171 N N 0.433 118.898 118.700 -0.391 0.000 2.384 1171 N HA 0.703 5.444 4.740 0.000 0.000 0.301 1171 N C 0.677 176.228 175.510 0.069 0.000 1.133 1171 N CA 0.592 53.599 53.050 -0.071 0.000 0.853 1171 N CB 2.235 40.711 38.487 -0.017 0.000 1.241 1171 N HN 0.541 nan 8.380 nan 0.000 0.502 1172 G N -0.131 108.777 108.800 0.180 0.000 2.549 1172 G HA2 -0.147 3.814 3.960 0.000 0.000 0.404 1172 G HA3 -0.147 3.814 3.960 0.000 0.000 0.404 1172 G C -0.932 174.148 174.900 0.300 0.000 1.292 1172 G CA -0.903 44.328 45.100 0.218 0.000 0.935 1172 G HN 0.424 nan 8.290 nan 0.000 0.512 1173 L N 0.181 121.521 121.223 0.196 0.000 2.439 1173 L HA 0.395 4.735 4.340 0.000 0.000 0.269 1173 L C 0.916 177.756 176.870 -0.050 0.000 1.179 1173 L CA -0.117 54.731 54.840 0.014 0.000 0.828 1173 L CB 0.544 42.448 42.059 -0.258 0.000 1.106 1173 L HN 0.457 nan 8.230 nan 0.000 0.467 1174 K N 2.754 123.019 120.400 -0.226 0.000 2.240 1174 K HA 0.485 4.806 4.320 0.000 0.000 0.271 1174 K C -1.177 175.270 176.600 -0.255 0.000 1.018 1174 K CA -0.338 55.769 56.287 -0.301 0.000 0.874 1174 K CB 1.133 33.464 32.500 -0.281 0.000 1.098 1174 K HN 0.174 nan 8.250 nan 0.000 0.458 1175 F N 2.620 122.531 119.950 -0.064 0.000 2.458 1175 F HA 0.520 5.047 4.527 0.000 0.000 0.330 1175 F C 0.322 176.213 175.800 0.151 0.000 1.082 1175 F CA -0.880 57.151 58.000 0.051 0.000 0.995 1175 F CB 1.134 40.132 39.000 -0.003 0.000 1.170 1175 F HN 0.204 nan 8.300 nan 0.000 0.478 1176 I N 3.531 124.338 120.570 0.394 0.000 2.498 1176 I HA 0.385 4.555 4.170 0.000 0.000 0.290 1176 I C -0.894 175.482 176.117 0.432 0.000 1.032 1176 I CA -0.584 60.923 61.300 0.345 0.000 1.073 1176 I CB 2.094 40.212 38.000 0.197 0.000 1.251 1176 I HN 0.367 nan 8.210 nan 0.000 0.426 1177 I N 6.209 127.032 120.570 0.421 0.000 2.331 1177 I HA 0.359 4.529 4.170 0.000 0.000 0.292 1177 I C -0.140 176.259 176.117 0.471 0.000 0.998 1177 I CA -0.481 61.059 61.300 0.400 0.000 1.267 1177 I CB 0.923 39.064 38.000 0.235 0.000 1.386 1177 I HN 0.442 nan 8.210 nan 0.000 0.476 1178 K N 5.849 126.547 120.400 0.498 0.000 2.328 1178 K HA 0.573 4.893 4.320 0.000 0.000 0.246 1178 K C -0.751 176.076 176.600 0.378 0.000 0.955 1178 K CA -1.054 55.482 56.287 0.414 0.000 0.817 1178 K CB 2.185 34.871 32.500 0.311 0.000 1.208 1178 K HN 0.467 nan 8.250 nan 0.000 0.432 1179 R N 1.387 121.909 120.500 0.036 0.000 2.442 1179 R HA -0.012 4.328 4.340 0.000 0.000 0.291 1179 R C 0.645 177.025 176.300 0.133 0.000 1.069 1179 R CA -0.015 56.039 56.100 -0.077 0.000 1.022 1179 R CB 0.078 30.149 30.300 -0.381 0.000 0.976 1179 R HN 0.625 nan 8.270 nan 0.000 0.443 1180 Y N 2.174 122.540 120.300 0.109 0.000 2.263 1180 Y HA -0.127 4.423 4.550 0.000 0.000 0.292 1180 Y C 0.746 176.674 175.900 0.047 0.000 1.130 1180 Y CA 1.394 59.561 58.100 0.111 0.000 1.179 1180 Y CB 0.595 39.151 38.460 0.160 0.000 0.998 1180 Y HN 0.671 nan 8.280 nan 0.000 0.532 1181 T N -1.956 112.658 114.554 0.101 0.000 2.868 1181 T HA 0.389 4.739 4.350 0.000 0.000 0.306 1181 T C -3.026 171.664 174.700 -0.017 0.000 1.224 1181 T CA -2.021 60.077 62.100 -0.003 0.000 1.012 1181 T CB 1.763 70.659 68.868 0.046 0.000 1.221 1181 T HN -0.103 nan 8.240 nan 0.000 0.499 1182 P HA 0.121 nan 4.420 nan 0.000 0.261 1182 P C -0.463 176.803 177.300 -0.056 0.000 1.183 1182 P CA -0.006 63.051 63.100 -0.072 0.000 0.761 1182 P CB 0.108 31.774 31.700 -0.058 0.000 0.785 1183 N N 1.720 120.361 118.700 -0.099 0.000 2.476 1183 N HA 0.071 4.812 4.740 0.000 0.000 0.275 1183 N C 1.068 176.539 175.510 -0.065 0.000 1.190 1183 N CA -0.989 52.015 53.050 -0.076 0.000 0.977 1183 N CB 0.780 39.197 38.487 -0.117 0.000 1.200 1183 N HN 0.428 nan 8.380 nan 0.000 0.515 1184 N N 0.363 119.039 118.700 -0.040 0.000 1.053 1184 N HA -0.372 4.368 4.740 0.000 0.000 0.137 1184 N C -0.459 175.040 175.510 -0.018 0.000 0.249 1184 N CA 2.179 55.219 53.050 -0.017 0.000 0.969 1184 N CB -0.253 38.231 38.487 -0.004 0.000 1.349 1184 N HN 0.777 nan 8.380 nan 0.000 1.065 1185 E N 0.267 120.456 120.200 -0.018 0.000 3.846 1185 E HA 0.285 4.636 4.350 0.000 0.000 0.216 1185 E C -0.482 176.102 176.600 -0.026 0.000 1.092 1185 E CA -0.094 56.300 56.400 -0.010 0.000 1.370 1185 E CB 0.281 29.991 29.700 0.017 0.000 1.227 1185 E HN 0.491 nan 8.360 nan 0.000 0.442 1186 I N 0.380 120.912 120.570 -0.064 0.000 6.379 1186 I HA -0.272 3.899 4.170 0.000 0.000 0.126 1186 I C -0.333 175.738 176.117 -0.077 0.000 1.821 1186 I CA 0.501 61.748 61.300 -0.088 0.000 2.063 1186 I CB -1.240 36.728 38.000 -0.054 0.000 3.472 1186 I HN 0.380 nan 8.210 nan 0.000 0.177 1187 D N 1.645 121.968 120.400 -0.128 0.000 2.525 1187 D HA 0.052 4.693 4.640 0.000 0.000 0.235 1187 D C 1.475 177.706 176.300 -0.115 0.000 1.137 1187 D CA 0.982 54.863 54.000 -0.199 0.000 0.868 1187 D CB 0.959 41.344 40.800 -0.692 0.000 1.180 1187 D HN 0.537 nan 8.370 nan 0.000 0.465 1188 S N 1.996 117.746 115.700 0.083 0.000 2.461 1188 S HA -0.075 4.395 4.470 0.000 0.000 0.228 1188 S C 0.782 175.561 174.600 0.298 0.000 1.005 1188 S CA -0.003 58.328 58.200 0.219 0.000 0.942 1188 S CB -0.283 63.053 63.200 0.226 0.000 0.776 1188 S HN 0.440 nan 8.310 nan 0.000 0.514 1189 F N 1.356 121.436 119.950 0.217 0.000 2.375 1189 F HA 0.760 5.287 4.527 0.000 0.000 0.333 1189 F C -0.422 175.452 175.800 0.124 0.000 1.104 1189 F CA -2.035 56.052 58.000 0.145 0.000 1.149 1189 F CB 0.432 39.517 39.000 0.142 0.000 1.190 1189 F HN -0.218 nan 8.300 nan 0.000 0.533 1190 V N 3.217 123.121 119.914 -0.016 0.000 2.406 1190 V HA 0.291 4.411 4.120 0.000 0.000 0.272 1190 V C -0.023 176.075 176.094 0.005 0.000 1.043 1190 V CA -0.902 61.250 62.300 -0.246 0.000 0.915 1190 V CB 0.739 32.238 31.823 -0.540 0.000 0.988 1190 V HN 0.727 nan 8.190 nan 0.000 0.466 1191 K N 2.451 122.848 120.400 -0.005 0.000 2.110 1191 K HA 0.448 4.768 4.320 0.000 0.000 0.263 1191 K C 0.260 176.786 176.600 -0.124 0.000 0.975 1191 K CA -0.276 55.981 56.287 -0.050 0.000 0.895 1191 K CB 1.400 33.847 32.500 -0.088 0.000 1.060 1191 K HN 0.637 nan 8.250 nan 0.000 0.448 1192 S N 0.880 116.487 115.700 -0.156 0.000 2.537 1192 S HA 0.279 4.750 4.470 0.000 0.000 0.286 1192 S C 1.082 175.580 174.600 -0.169 0.000 1.299 1192 S CA 1.116 59.227 58.200 -0.147 0.000 1.067 1192 S CB -0.259 62.863 63.200 -0.130 0.000 0.864 1192 S HN 0.841 nan 8.310 nan 0.000 0.494 1193 G N 3.958 112.640 108.800 -0.196 0.000 2.194 1193 G HA2 -0.180 3.780 3.960 0.000 0.000 0.236 1193 G HA3 -0.180 3.780 3.960 0.000 0.000 0.236 1193 G C -0.309 174.318 174.900 -0.455 0.000 0.987 1193 G CA 0.015 44.942 45.100 -0.289 0.000 0.635 1193 G HN 0.696 nan 8.290 nan 0.000 0.520 1194 D N 0.419 120.642 120.400 -0.295 0.000 2.389 1194 D HA 0.519 5.159 4.640 0.000 0.000 0.247 1194 D C 0.316 176.454 176.300 -0.271 0.000 1.128 1194 D CA 0.112 53.989 54.000 -0.205 0.000 0.884 1194 D CB 0.294 41.102 40.800 0.014 0.000 1.194 1194 D HN 0.066 nan 8.370 nan 0.000 0.441 1195 F N 2.376 122.360 119.950 0.056 0.000 2.394 1195 F HA 0.406 4.933 4.527 0.000 0.000 0.340 1195 F C 0.906 176.797 175.800 0.152 0.000 1.105 1195 F CA -0.667 57.336 58.000 0.004 0.000 1.124 1195 F CB 0.454 39.374 39.000 -0.134 0.000 1.145 1195 F HN 0.175 nan 8.300 nan 0.000 0.505 1196 I N -0.937 119.829 120.570 0.326 0.000 3.354 1196 I HA 0.653 4.823 4.170 0.000 0.000 0.316 1196 I C -1.617 174.726 176.117 0.376 0.000 1.182 1196 I CA -1.305 60.227 61.300 0.386 0.000 0.942 1196 I CB 2.757 40.956 38.000 0.333 0.000 1.299 1196 I HN 0.320 nan 8.210 nan 0.000 0.473 1197 K N 1.910 122.548 120.400 0.397 0.000 2.426 1197 K HA 0.569 4.889 4.320 0.000 0.000 0.254 1197 K C -1.632 175.143 176.600 0.292 0.000 0.936 1197 K CA -0.694 55.782 56.287 0.315 0.000 0.801 1197 K CB 2.602 35.328 32.500 0.376 0.000 1.139 1197 K HN 0.458 nan 8.250 nan 0.000 0.424 1198 L N 3.959 125.269 121.223 0.145 0.000 2.282 1198 L HA 0.438 4.778 4.340 0.000 0.000 0.288 1198 L C -1.545 175.377 176.870 0.088 0.000 1.033 1198 L CA -0.127 54.845 54.840 0.220 0.000 0.807 1198 L CB 0.345 42.525 42.059 0.200 0.000 1.209 1198 L HN 0.462 nan 8.230 nan 0.000 0.423 1199 Y N 3.105 123.549 120.300 0.240 0.000 2.524 1199 Y HA 0.664 5.214 4.550 0.000 0.000 0.344 1199 Y C -0.321 175.634 175.900 0.091 0.000 1.012 1199 Y CA -0.863 57.335 58.100 0.163 0.000 1.068 1199 Y CB 2.155 40.686 38.460 0.118 0.000 1.249 1199 Y HN 0.243 nan 8.280 nan 0.000 0.468 1200 V N 1.495 121.500 119.914 0.151 0.000 2.459 1200 V HA 0.334 4.454 4.120 0.000 0.000 0.295 1200 V C -0.326 175.815 176.094 0.079 0.000 1.029 1200 V CA -0.747 61.474 62.300 -0.131 0.000 0.874 1200 V CB 1.713 33.377 31.823 -0.265 0.000 0.985 1200 V HN 0.761 nan 8.190 nan 0.000 0.438 1201 S N 5.167 120.874 115.700 0.011 0.000 2.415 1201 S HA 0.474 4.944 4.470 0.000 0.000 0.313 1201 S C -1.064 173.612 174.600 0.125 0.000 1.067 1201 S CA -0.317 57.923 58.200 0.068 0.000 1.099 1201 S CB -0.265 62.933 63.200 -0.002 0.000 0.991 1201 S HN 0.604 nan 8.310 nan 0.000 0.491 1202 Y N 4.977 125.325 120.300 0.080 0.000 2.341 1202 Y HA 0.340 4.890 4.550 0.000 0.000 0.338 1202 Y C 0.483 176.438 175.900 0.092 0.000 0.965 1202 Y CA -0.540 57.598 58.100 0.064 0.000 1.108 1202 Y CB 0.778 39.260 38.460 0.036 0.000 1.180 1202 Y HN 0.757 nan 8.280 nan 0.000 0.458 1203 N N 4.972 123.477 118.700 -0.325 0.000 2.716 1203 N HA -0.385 4.355 4.740 0.000 0.000 0.250 1203 N C 0.297 175.778 175.510 -0.048 0.000 1.033 1203 N CA 1.656 54.581 53.050 -0.208 0.000 0.727 1203 N CB -1.221 37.155 38.487 -0.184 0.000 0.950 1203 N HN 1.052 nan 8.380 nan 0.000 0.541 1204 N N -2.244 116.435 118.700 -0.036 0.000 2.936 1204 N HA -0.243 4.497 4.740 0.000 0.000 0.236 1204 N C -1.071 174.431 175.510 -0.013 0.000 0.930 1204 N CA 0.996 54.032 53.050 -0.023 0.000 0.966 1204 N CB -0.328 38.142 38.487 -0.029 0.000 1.090 1204 N HN 0.372 nan 8.380 nan 0.000 0.592 1205 N N 1.497 120.214 118.700 0.027 0.000 2.443 1205 N HA 0.215 4.956 4.740 0.000 0.000 0.295 1205 N C -0.991 174.428 175.510 -0.151 0.000 1.076 1205 N CA 0.076 53.088 53.050 -0.063 0.000 0.919 1205 N CB 1.231 39.700 38.487 -0.029 0.000 1.176 1205 N HN 0.217 nan 8.380 nan 0.000 0.487 1206 E N 1.052 121.098 120.200 -0.257 0.000 2.197 1206 E HA 0.299 4.649 4.350 0.000 0.000 0.281 1206 E C -0.916 175.536 176.600 -0.247 0.000 0.995 1206 E CA -0.462 55.857 56.400 -0.135 0.000 0.808 1206 E CB 0.873 30.497 29.700 -0.126 0.000 1.093 1206 E HN 0.470 nan 8.360 nan 0.000 0.394 1207 H N 1.189 120.413 119.070 0.257 0.000 2.609 1207 H HA 0.302 4.858 4.556 0.000 0.000 0.344 1207 H C -0.581 174.832 175.328 0.141 0.000 1.040 1207 H CA -0.738 55.427 56.048 0.194 0.000 1.216 1207 H CB 1.222 31.030 29.762 0.077 0.000 1.529 1207 H HN 0.444 nan 8.280 nan 0.000 0.519 1208 I N 2.986 123.598 120.570 0.070 0.000 2.692 1208 I HA 0.090 4.261 4.170 0.000 0.000 0.284 1208 I C -0.517 175.544 176.117 -0.094 0.000 1.159 1208 I CA -0.131 60.953 61.300 -0.360 0.000 1.423 1208 I CB 0.355 38.108 38.000 -0.412 0.000 1.380 1208 I HN 0.336 nan 8.210 nan 0.000 0.580 1209 V N 7.392 127.249 119.914 -0.094 0.000 2.439 1209 V HA 0.833 4.953 4.120 0.000 0.000 0.282 1209 V C 0.552 176.676 176.094 0.050 0.000 1.039 1209 V CA 0.268 62.591 62.300 0.038 0.000 0.913 1209 V CB 0.522 32.411 31.823 0.111 0.000 0.983 1209 V HN 1.012 nan 8.190 nan 0.000 0.460 1210 G N 3.088 111.939 108.800 0.085 0.000 2.554 1210 G HA2 0.486 4.446 3.960 0.000 0.000 0.306 1210 G HA3 0.486 4.446 3.960 0.000 0.000 0.306 1210 G C -2.351 172.637 174.900 0.147 0.000 1.320 1210 G CA -0.523 44.646 45.100 0.116 0.000 0.800 1210 G HN 0.504 nan 8.290 nan 0.000 0.481 1211 Y N 1.994 122.302 120.300 0.013 0.000 2.338 1211 Y HA 0.665 5.215 4.550 0.000 0.000 0.333 1211 Y C -2.429 173.366 175.900 -0.174 0.000 0.968 1211 Y CA -2.711 55.364 58.100 -0.041 0.000 1.123 1211 Y CB 2.720 41.225 38.460 0.074 0.000 1.165 1211 Y HN 0.415 nan 8.280 nan 0.000 0.452 1212 P HA 0.129 nan 4.420 nan 0.000 0.278 1212 P C -1.017 175.647 177.300 -1.060 0.000 1.238 1212 P CA -0.516 61.972 63.100 -1.021 0.000 0.794 1212 P CB 1.465 32.319 31.700 -1.411 0.000 0.955 1213 K N 2.478 122.445 120.400 -0.722 0.000 2.511 1213 K HA -0.099 4.221 4.320 0.000 0.000 0.280 1213 K C 0.127 176.559 176.600 -0.280 0.000 1.008 1213 K CA 0.556 56.640 56.287 -0.338 0.000 1.050 1213 K CB -0.430 31.965 32.500 -0.176 0.000 0.889 1213 K HN 0.440 nan 8.250 nan 0.000 0.484 1214 D N 1.320 121.646 120.400 -0.123 0.000 3.059 1214 D HA -0.151 4.489 4.640 0.000 0.000 0.220 1214 D C 0.317 176.549 176.300 -0.114 0.000 1.169 1214 D CA 1.403 55.374 54.000 -0.049 0.000 0.902 1214 D CB -1.429 39.354 40.800 -0.029 0.000 1.116 1214 D HN 0.803 nan 8.370 nan 0.000 0.417 1215 G N 0.383 108.961 108.800 -0.370 0.000 2.614 1215 G HA2 0.148 4.108 3.960 0.000 0.000 0.239 1215 G HA3 0.148 4.108 3.960 0.000 0.000 0.239 1215 G C 0.445 175.373 174.900 0.047 0.000 1.240 1215 G CA -0.100 44.821 45.100 -0.298 0.000 0.842 1215 G HN 0.187 nan 8.290 nan 0.000 0.584 1216 N N -0.058 118.642 118.700 0.001 0.000 2.356 1216 N HA 0.359 5.099 4.740 0.000 0.000 0.252 1216 N C -0.087 175.398 175.510 -0.041 0.000 1.241 1216 N CA 0.861 53.882 53.050 -0.048 0.000 0.861 1216 N CB 0.729 39.141 38.487 -0.125 0.000 1.075 1216 N HN 0.813 nan 8.380 nan 0.000 0.461 1217 A N 2.596 125.326 122.820 -0.151 0.000 2.594 1217 A HA 0.547 4.867 4.320 0.000 0.000 0.295 1217 A C -1.316 176.089 177.584 -0.298 0.000 1.071 1217 A CA -0.713 51.201 52.037 -0.205 0.000 0.685 1217 A CB 0.486 19.438 19.000 -0.081 0.000 1.285 1217 A HN 0.484 nan 8.150 nan 0.000 0.405 1218 F N 2.116 121.959 119.950 -0.179 0.000 2.471 1218 F HA 0.293 4.820 4.527 0.000 0.000 0.365 1218 F C 1.348 177.020 175.800 -0.213 0.000 1.095 1218 F CA 0.737 58.594 58.000 -0.238 0.000 1.174 1218 F CB 0.358 39.052 39.000 -0.510 0.000 1.105 1218 F HN 0.757 nan 8.300 nan 0.000 0.535 1219 N N 2.785 121.501 118.700 0.026 0.000 2.721 1219 N HA -0.326 4.414 4.740 0.000 0.000 0.249 1219 N C 0.015 175.515 175.510 -0.016 0.000 1.072 1219 N CA 0.996 54.047 53.050 0.001 0.000 0.710 1219 N CB -1.331 37.154 38.487 -0.002 0.000 0.993 1219 N HN 0.718 nan 8.380 nan 0.000 0.547 1220 N N -2.036 116.650 118.700 -0.024 0.000 2.681 1220 N HA -0.242 4.498 4.740 0.000 0.000 0.250 1220 N C 0.526 176.021 175.510 -0.025 0.000 1.133 1220 N CA 1.603 54.644 53.050 -0.015 0.000 0.732 1220 N CB -1.002 37.487 38.487 0.004 0.000 1.107 1220 N HN 0.635 nan 8.380 nan 0.000 0.559 1221 L N -1.831 119.363 121.223 -0.048 0.000 2.694 1221 L HA 0.189 4.529 4.340 0.000 0.000 0.228 1221 L C -0.197 176.624 176.870 -0.082 0.000 1.048 1221 L CA 0.080 54.890 54.840 -0.050 0.000 0.887 1221 L CB 0.283 42.322 42.059 -0.034 0.000 1.265 1221 L HN -0.010 nan 8.230 nan 0.000 0.492 1222 D N 2.008 122.344 120.400 -0.106 0.000 2.467 1222 D HA 0.225 4.865 4.640 0.000 0.000 0.220 1222 D C -0.242 176.007 176.300 -0.086 0.000 1.103 1222 D CA -0.223 53.722 54.000 -0.091 0.000 0.886 1222 D CB 0.860 41.557 40.800 -0.172 0.000 1.025 1222 D HN -0.078 nan 8.370 nan 0.000 0.514 1223 R N 1.528 121.893 120.500 -0.225 0.000 2.421 1223 R HA 0.230 4.570 4.340 0.000 0.000 0.305 1223 R C 0.387 176.578 176.300 -0.182 0.000 1.039 1223 R CA -0.074 55.737 56.100 -0.483 0.000 1.003 1223 R CB 0.425 30.002 30.300 -1.206 0.000 0.959 1223 R HN 0.365 nan 8.270 nan 0.000 0.427 1224 I N 5.015 125.571 120.570 -0.022 0.000 2.436 1224 I HA -0.002 4.168 4.170 0.000 0.000 0.289 1224 I C 0.450 176.692 176.117 0.208 0.000 1.083 1224 I CA 0.045 61.406 61.300 0.102 0.000 1.372 1224 I CB 0.293 38.296 38.000 0.004 0.000 1.408 1224 I HN 0.340 nan 8.210 nan 0.000 0.516 1225 L N 7.225 128.567 121.223 0.199 0.000 2.467 1225 L HA 0.277 4.617 4.340 0.000 0.000 0.270 1225 L C 0.346 177.335 176.870 0.198 0.000 1.205 1225 L CA -0.203 54.758 54.840 0.202 0.000 0.828 1225 L CB 0.058 42.219 42.059 0.169 0.000 1.101 1225 L HN 0.547 nan 8.230 nan 0.000 0.479 1226 R N 1.666 122.257 120.500 0.151 0.000 2.744 1226 R HA 0.555 4.895 4.340 0.000 0.000 0.279 1226 R C -1.276 175.092 176.300 0.114 0.000 0.977 1226 R CA -0.835 55.348 56.100 0.137 0.000 0.906 1226 R CB 2.100 32.458 30.300 0.097 0.000 1.197 1226 R HN 0.271 nan 8.270 nan 0.000 0.463 1227 V N 1.234 121.196 119.914 0.080 0.000 2.334 1227 V HA 0.387 4.507 4.120 0.000 0.000 0.281 1227 V C 0.992 177.106 176.094 0.033 0.000 1.016 1227 V CA -0.018 62.301 62.300 0.032 0.000 0.832 1227 V CB 1.166 32.944 31.823 -0.076 0.000 0.999 1227 V HN 1.019 nan 8.190 nan 0.000 0.439 1228 G N 4.041 112.916 108.800 0.124 0.000 2.198 1228 G HA2 -0.319 3.641 3.960 0.000 0.000 0.257 1228 G HA3 -0.319 3.641 3.960 0.000 0.000 0.257 1228 G C -0.132 174.848 174.900 0.132 0.000 1.042 1228 G CA 0.267 45.471 45.100 0.174 0.000 0.791 1228 G HN 0.926 nan 8.290 nan 0.000 0.502 1229 Y N 1.281 121.589 120.300 0.013 0.000 2.511 1229 Y HA 0.392 4.942 4.550 0.000 0.000 0.332 1229 Y C 0.936 176.831 175.900 -0.009 0.000 1.177 1229 Y CA 0.454 58.548 58.100 -0.010 0.000 1.422 1229 Y CB 0.736 39.178 38.460 -0.030 0.000 1.271 1229 Y HN 0.355 nan 8.280 nan 0.000 0.550 1230 N N 2.885 121.370 118.700 -0.360 0.000 2.471 1230 N HA 0.254 4.994 4.740 0.000 0.000 0.270 1230 N C -1.185 174.152 175.510 -0.288 0.000 1.490 1230 N CA -0.130 52.803 53.050 -0.195 0.000 0.850 1230 N CB 0.006 38.444 38.487 -0.082 0.000 1.411 1230 N HN 0.572 nan 8.380 nan 0.000 0.488 1231 A N 1.911 124.396 122.820 -0.558 0.000 2.522 1231 A HA 0.357 4.677 4.320 0.000 0.000 0.256 1231 A C -1.815 175.702 177.584 -0.111 0.000 1.086 1231 A CA -0.725 51.115 52.037 -0.328 0.000 0.763 1231 A CB -0.204 18.597 19.000 -0.333 0.000 1.024 1231 A HN 0.340 nan 8.150 nan 0.000 0.502 1232 P HA 0.159 nan 4.420 nan 0.000 0.266 1232 P C 0.945 178.234 177.300 -0.017 0.000 1.195 1232 P CA 1.299 64.376 63.100 -0.037 0.000 0.768 1232 P CB 0.789 32.468 31.700 -0.035 0.000 0.838 1233 G N 2.440 111.236 108.800 -0.008 0.000 2.189 1233 G HA2 -0.251 3.709 3.960 0.000 0.000 0.267 1233 G HA3 -0.251 3.709 3.960 0.000 0.000 0.267 1233 G C 0.137 175.036 174.900 -0.001 0.000 0.975 1233 G CA 0.013 45.111 45.100 -0.003 0.000 0.644 1233 G HN 0.559 nan 8.290 nan 0.000 0.537 1234 I N 3.103 123.679 120.570 0.010 0.000 2.328 1234 I HA 0.277 4.447 4.170 0.000 0.000 0.287 1234 I C -1.681 174.409 176.117 -0.045 0.000 1.012 1234 I CA -2.171 59.132 61.300 0.004 0.000 1.195 1234 I CB 1.542 39.596 38.000 0.090 0.000 1.350 1234 I HN -0.073 nan 8.210 nan 0.000 0.464 1235 P HA 0.050 nan 4.420 nan 0.000 0.268 1235 P C -0.928 176.090 177.300 -0.470 0.000 1.204 1235 P CA -0.291 62.671 63.100 -0.229 0.000 0.768 1235 P CB 1.416 32.999 31.700 -0.195 0.000 0.842 1236 L N 5.100 126.116 121.223 -0.345 0.000 2.319 1236 L HA 0.371 4.711 4.340 0.000 0.000 0.281 1236 L C -1.046 175.679 176.870 -0.241 0.000 1.005 1236 L CA -0.892 53.739 54.840 -0.348 0.000 0.828 1236 L CB 0.479 42.488 42.059 -0.083 0.000 1.227 1236 L HN 0.149 nan 8.230 nan 0.000 0.415 1237 Y N 4.837 125.155 120.300 0.029 0.000 2.436 1237 Y HA 0.316 4.866 4.550 0.000 0.000 0.343 1237 Y C 0.975 176.940 175.900 0.109 0.000 1.008 1237 Y CA -0.566 57.590 58.100 0.093 0.000 1.241 1237 Y CB 0.641 39.182 38.460 0.134 0.000 1.153 1237 Y HN 0.646 nan 8.280 nan 0.000 0.521 1238 K N 0.876 121.433 120.400 0.261 0.000 2.481 1238 K HA 0.162 4.482 4.320 0.000 0.000 0.210 1238 K C 0.195 176.914 176.600 0.198 0.000 1.161 1238 K CA -0.527 55.874 56.287 0.191 0.000 1.023 1238 K CB 0.604 33.183 32.500 0.130 0.000 0.971 1238 K HN 0.313 nan 8.250 nan 0.000 0.577 1239 K N 2.249 122.756 120.400 0.179 0.000 2.412 1239 K HA 0.137 4.457 4.320 0.000 0.000 0.284 1239 K C -0.730 175.931 176.600 0.101 0.000 1.046 1239 K CA 0.132 56.380 56.287 -0.066 0.000 0.999 1239 K CB 0.443 32.708 32.500 -0.391 0.000 0.941 1239 K HN 0.129 nan 8.250 nan 0.000 0.474 1240 M N 2.729 122.405 119.600 0.128 0.000 2.761 1240 M HA 0.297 4.777 4.480 0.000 0.000 0.305 1240 M C -0.841 175.639 176.300 0.299 0.000 1.235 1240 M CA -0.815 54.640 55.300 0.257 0.000 0.850 1240 M CB 2.248 34.959 32.600 0.185 0.000 1.744 1240 M HN 0.586 nan 8.290 nan 0.000 0.480 1241 E N 0.850 121.223 120.200 0.290 0.000 2.218 1241 E HA 0.596 4.946 4.350 0.000 0.000 0.263 1241 E C -1.607 175.007 176.600 0.024 0.000 0.879 1241 E CA -0.554 55.904 56.400 0.096 0.000 0.762 1241 E CB 1.900 31.691 29.700 0.153 0.000 1.166 1241 E HN 0.767 nan 8.360 nan 0.000 0.415 1242 A N 3.931 126.714 122.820 -0.061 0.000 2.302 1242 A HA 0.528 4.848 4.320 0.000 0.000 0.295 1242 A C -0.219 177.301 177.584 -0.107 0.000 1.235 1242 A CA -0.388 51.595 52.037 -0.090 0.000 0.876 1242 A CB 0.159 19.069 19.000 -0.151 0.000 1.133 1242 A HN 0.439 nan 8.150 nan 0.000 0.533 1243 V N -0.221 119.652 119.914 -0.069 0.000 3.130 1243 V HA 0.876 4.996 4.120 0.000 0.000 0.310 1243 V C -0.723 175.344 176.094 -0.044 0.000 1.158 1243 V CA -1.169 61.096 62.300 -0.058 0.000 1.029 1243 V CB 2.081 33.896 31.823 -0.013 0.000 1.057 1243 V HN 0.705 nan 8.190 nan 0.000 0.436 1244 K N 1.716 122.093 120.400 -0.040 0.000 2.527 1244 K HA 0.658 4.978 4.320 0.000 0.000 0.240 1244 K C -0.625 175.966 176.600 -0.016 0.000 0.989 1244 K CA -0.396 55.876 56.287 -0.026 0.000 0.985 1244 K CB 0.859 33.343 32.500 -0.027 0.000 1.221 1244 K HN 0.650 nan 8.250 nan 0.000 0.458 1245 L N 3.040 124.258 121.223 -0.009 0.000 2.590 1245 L HA 0.370 4.710 4.340 0.000 0.000 0.227 1245 L C 0.088 176.954 176.870 -0.006 0.000 1.099 1245 L CA 0.480 55.322 54.840 0.004 0.000 0.872 1245 L CB -0.384 41.690 42.059 0.025 0.000 1.088 1245 L HN 0.673 nan 8.230 nan 0.000 0.479 1246 R N -3.390 117.100 120.500 -0.017 0.000 2.728 1246 R HA 0.349 4.690 4.340 0.000 0.000 0.274 1246 R C -1.153 175.136 176.300 -0.019 0.000 1.030 1246 R CA -0.949 55.139 56.100 -0.019 0.000 0.876 1246 R CB 0.287 30.571 30.300 -0.026 0.000 1.259 1246 R HN -0.214 nan 8.270 nan 0.000 0.468 1247 D N 0.347 120.738 120.400 -0.016 0.000 2.812 1247 D HA -0.139 4.502 4.640 0.000 0.000 0.237 1247 D C 0.424 176.722 176.300 -0.004 0.000 1.162 1247 D CA 0.650 54.643 54.000 -0.011 0.000 0.740 1247 D CB -0.073 40.714 40.800 -0.021 0.000 1.000 1247 D HN 0.611 nan 8.370 nan 0.000 0.416 1248 L N 1.829 123.047 121.223 -0.010 0.000 2.051 1248 L HA -0.179 4.161 4.340 0.000 0.000 0.214 1248 L C 2.122 178.986 176.870 -0.009 0.000 1.076 1248 L CA 2.122 56.954 54.840 -0.013 0.000 0.758 1248 L CB -0.167 41.868 42.059 -0.040 0.000 0.890 1248 L HN 0.277 nan 8.230 nan 0.000 0.433 1249 K N -1.301 119.087 120.400 -0.019 0.000 2.439 1249 K HA 0.035 4.355 4.320 0.000 0.000 0.197 1249 K C 0.304 176.858 176.600 -0.076 0.000 1.041 1249 K CA 0.560 56.841 56.287 -0.010 0.000 0.970 1249 K CB -0.222 32.323 32.500 0.075 0.000 0.773 1249 K HN 0.332 nan 8.250 nan 0.000 0.479 1250 T N 0.778 115.304 114.554 -0.048 0.000 2.837 1250 T HA 0.187 4.537 4.350 0.000 0.000 0.285 1250 T C -0.465 174.262 174.700 0.045 0.000 0.984 1250 T CA -0.516 61.544 62.100 -0.066 0.000 1.049 1250 T CB 0.561 69.442 68.868 0.022 0.000 0.947 1250 T HN -0.016 nan 8.240 nan 0.000 0.472 1251 Y N 2.835 123.255 120.300 0.201 0.000 2.724 1251 Y HA 0.339 4.889 4.550 0.000 0.000 0.354 1251 Y C 1.286 177.346 175.900 0.267 0.000 1.270 1251 Y CA -1.148 57.062 58.100 0.183 0.000 1.902 1251 Y CB -1.185 37.352 38.460 0.129 0.000 1.981 1251 Y HN 0.555 nan 8.280 nan 0.000 0.428 1252 S N -0.902 114.958 115.700 0.267 0.000 2.638 1252 S HA 0.935 5.405 4.470 0.000 0.000 0.302 1252 S C -0.791 173.873 174.600 0.107 0.000 1.096 1252 S CA -0.832 57.462 58.200 0.155 0.000 0.953 1252 S CB 2.348 65.502 63.200 -0.076 0.000 1.107 1252 S HN -0.012 nan 8.310 nan 0.000 0.503 1253 V N 1.014 121.008 119.914 0.134 0.000 2.962 1253 V HA 0.590 4.710 4.120 0.000 0.000 0.313 1253 V C -1.092 175.082 176.094 0.135 0.000 1.099 1253 V CA -0.787 61.552 62.300 0.066 0.000 0.971 1253 V CB 2.065 33.831 31.823 -0.096 0.000 1.028 1253 V HN 0.934 nan 8.190 nan 0.000 0.430 1254 Q N 2.057 121.892 119.800 0.059 0.000 2.301 1254 Q HA 0.813 5.153 4.340 0.000 0.000 0.267 1254 Q C -1.383 174.651 176.000 0.057 0.000 1.035 1254 Q CA -0.355 55.490 55.803 0.069 0.000 0.856 1254 Q CB 2.394 31.119 28.738 -0.020 0.000 1.337 1254 Q HN 0.608 nan 8.270 nan 0.000 0.450 1255 L N 1.142 122.404 121.223 0.065 0.000 2.406 1255 L HA 0.548 4.888 4.340 0.000 0.000 0.272 1255 L C -0.725 176.182 176.870 0.060 0.000 0.980 1255 L CA -0.696 54.175 54.840 0.052 0.000 0.831 1255 L CB 1.878 43.951 42.059 0.024 0.000 1.253 1255 L HN 0.380 nan 8.230 nan 0.000 0.406 1256 K N 3.396 123.856 120.400 0.100 0.000 2.235 1256 K HA 0.550 4.870 4.320 0.000 0.000 0.266 1256 K C -1.274 175.396 176.600 0.117 0.000 0.980 1256 K CA -0.722 55.625 56.287 0.100 0.000 0.849 1256 K CB 1.680 34.262 32.500 0.137 0.000 1.098 1256 K HN 0.385 nan 8.250 nan 0.000 0.445 1257 L N 4.869 126.119 121.223 0.045 0.000 2.325 1257 L HA 0.432 4.773 4.340 0.000 0.000 0.279 1257 L C -1.606 175.246 176.870 -0.030 0.000 1.054 1257 L CA -0.155 54.747 54.840 0.103 0.000 0.804 1257 L CB 0.686 42.810 42.059 0.109 0.000 1.200 1257 L HN 0.562 nan 8.230 nan 0.000 0.436 1258 Y N 1.731 122.065 120.300 0.058 0.000 2.524 1258 Y HA 0.461 5.011 4.550 0.000 0.000 0.344 1258 Y C -0.035 175.819 175.900 -0.078 0.000 1.012 1258 Y CA -0.951 57.142 58.100 -0.011 0.000 1.068 1258 Y CB 1.375 39.809 38.460 -0.045 0.000 1.249 1258 Y HN 0.745 nan 8.280 nan 0.000 0.468 1259 D N -0.957 119.393 120.400 -0.082 0.000 2.507 1259 D HA 0.069 4.710 4.640 0.000 0.000 0.280 1259 D C 0.388 176.517 176.300 -0.285 0.000 1.219 1259 D CA -0.409 53.244 54.000 -0.579 0.000 1.085 1259 D CB 0.221 40.539 40.800 -0.803 0.000 1.134 1259 D HN 0.567 nan 8.370 nan 0.000 0.583 1260 D N -1.404 118.799 120.400 -0.328 0.000 2.348 1260 D HA -0.104 4.536 4.640 0.000 0.000 0.216 1260 D C 0.753 177.043 176.300 -0.017 0.000 0.970 1260 D CA 0.864 54.871 54.000 0.012 0.000 0.889 1260 D CB -0.318 40.593 40.800 0.185 0.000 0.912 1260 D HN 0.344 nan 8.370 nan 0.000 0.524 1261 K N -0.283 120.080 120.400 -0.062 0.000 2.387 1261 K HA 0.193 4.513 4.320 0.000 0.000 0.198 1261 K C -0.033 176.557 176.600 -0.016 0.000 1.022 1261 K CA -0.199 56.070 56.287 -0.030 0.000 1.128 1261 K CB 0.108 32.589 32.500 -0.031 0.000 0.853 1261 K HN -0.148 nan 8.250 nan 0.000 0.523 1262 N N -0.447 118.253 118.700 -0.000 0.000 2.829 1262 N HA -0.170 4.570 4.740 0.000 0.000 0.250 1262 N C -0.663 174.985 175.510 0.230 0.000 1.090 1262 N CA 1.039 54.138 53.050 0.081 0.000 0.781 1262 N CB -1.484 36.978 38.487 -0.041 0.000 1.124 1262 N HN 0.370 nan 8.380 nan 0.000 0.559 1263 A N 0.169 123.045 122.820 0.093 0.000 2.302 1263 A HA 0.561 4.881 4.320 0.000 0.000 0.285 1263 A C 0.706 178.258 177.584 -0.053 0.000 1.105 1263 A CA 0.052 52.102 52.037 0.022 0.000 0.816 1263 A CB 0.920 19.899 19.000 -0.036 0.000 1.067 1263 A HN 0.221 nan 8.150 nan 0.000 0.489 1264 S N 0.805 116.408 115.700 -0.161 0.000 2.510 1264 S HA 0.272 4.742 4.470 0.000 0.000 0.279 1264 S C 0.662 175.180 174.600 -0.136 0.000 1.284 1264 S CA -0.421 57.606 58.200 -0.289 0.000 1.059 1264 S CB -0.266 62.769 63.200 -0.275 0.000 0.901 1264 S HN 0.551 nan 8.310 nan 0.000 0.491 1265 L N 4.830 125.979 121.223 -0.123 0.000 2.607 1265 L HA 0.375 4.715 4.340 0.000 0.000 0.228 1265 L C 1.222 178.095 176.870 0.006 0.000 1.123 1265 L CA 0.345 55.155 54.840 -0.049 0.000 0.890 1265 L CB -0.577 41.469 42.059 -0.021 0.000 1.103 1265 L HN 0.997 nan 8.230 nan 0.000 0.468 1266 G N 0.121 108.966 108.800 0.074 0.000 2.462 1266 G HA2 -0.099 3.861 3.960 0.000 0.000 0.685 1266 G HA3 -0.099 3.861 3.960 0.000 0.000 0.685 1266 G C -1.089 173.899 174.900 0.146 0.000 1.295 1266 G CA -1.005 44.214 45.100 0.199 0.000 0.941 1266 G HN -0.075 nan 8.290 nan 0.000 0.554 1267 L N -0.028 121.260 121.223 0.108 0.000 2.343 1267 L HA 0.553 4.893 4.340 0.000 0.000 0.275 1267 L C 0.985 177.918 176.870 0.104 0.000 1.056 1267 L CA -1.192 53.653 54.840 0.008 0.000 0.804 1267 L CB 1.612 43.534 42.059 -0.228 0.000 1.203 1267 L HN 0.475 nan 8.230 nan 0.000 0.440 1268 V N 2.385 122.351 119.914 0.086 0.000 2.529 1268 V HA 0.425 4.545 4.120 0.000 0.000 0.292 1268 V C 0.760 177.034 176.094 0.300 0.000 1.028 1268 V CA 0.525 62.921 62.300 0.159 0.000 1.074 1268 V CB 0.452 32.289 31.823 0.023 0.000 0.958 1268 V HN 1.014 nan 8.190 nan 0.000 0.481 1269 G N 3.877 112.890 108.800 0.354 0.000 2.871 1269 G HA2 0.787 4.747 3.960 0.000 0.000 0.282 1269 G HA3 0.787 4.747 3.960 0.000 0.000 0.282 1269 G C -0.559 174.579 174.900 0.397 0.000 1.212 1269 G CA 0.222 45.510 45.100 0.313 0.000 0.812 1269 G HN 0.798 nan 8.290 nan 0.000 0.547 1270 T N -3.049 111.677 114.554 0.288 0.000 2.896 1270 T HA 0.683 5.033 4.350 0.000 0.000 0.297 1270 T C -1.405 173.372 174.700 0.127 0.000 1.108 1270 T CA -0.584 61.647 62.100 0.218 0.000 1.004 1270 T CB 2.258 71.212 68.868 0.144 0.000 1.159 1270 T HN 0.893 nan 8.240 nan 0.000 0.499 1271 H N 0.992 120.029 119.070 -0.055 0.000 2.771 1271 H HA 0.494 5.051 4.556 0.000 0.000 0.361 1271 H C -0.691 174.410 175.328 -0.377 0.000 1.108 1271 H CA -0.577 55.297 56.048 -0.290 0.000 1.201 1271 H CB 1.576 31.079 29.762 -0.431 0.000 1.681 1271 H HN 0.738 nan 8.280 nan 0.000 0.534 1272 N N 3.214 121.390 118.700 -0.874 0.000 2.472 1272 N HA 0.460 5.200 4.740 0.000 0.000 0.277 1272 N C -0.240 174.889 175.510 -0.634 0.000 1.081 1272 N CA 0.921 53.629 53.050 -0.570 0.000 0.973 1272 N CB 1.059 39.289 38.487 -0.429 0.000 1.105 1272 N HN 0.952 nan 8.380 nan 0.000 0.470 1273 G N 1.710 110.316 108.800 -0.323 0.000 2.344 1273 G HA2 0.136 4.096 3.960 0.000 0.000 0.282 1273 G HA3 0.136 4.096 3.960 0.000 0.000 0.282 1273 G C -2.224 172.712 174.900 0.061 0.000 1.281 1273 G CA -0.497 44.512 45.100 -0.152 0.000 0.877 1273 G HN 0.612 nan 8.290 nan 0.000 0.494 1274 Q N -0.662 119.262 119.800 0.206 0.000 2.456 1274 Q HA 0.704 5.044 4.340 0.000 0.000 0.284 1274 Q C -1.462 174.582 176.000 0.073 0.000 1.061 1274 Q CA -0.891 54.980 55.803 0.113 0.000 0.799 1274 Q CB 2.492 31.257 28.738 0.046 0.000 1.445 1274 Q HN 0.669 nan 8.270 nan 0.000 0.411 1275 I N 1.513 122.052 120.570 -0.051 0.000 2.382 1275 I HA 0.501 4.671 4.170 0.000 0.000 0.286 1275 I C 0.912 177.012 176.117 -0.028 0.000 1.002 1275 I CA 0.182 61.410 61.300 -0.121 0.000 1.135 1275 I CB 1.269 39.082 38.000 -0.312 0.000 1.288 1275 I HN 1.041 nan 8.210 nan 0.000 0.448 1276 G N 6.315 115.102 108.800 -0.022 0.000 2.622 1276 G HA2 -0.329 3.632 3.960 0.000 0.000 0.307 1276 G HA3 -0.329 3.632 3.960 0.000 0.000 0.307 1276 G C 0.595 175.502 174.900 0.011 0.000 1.226 1276 G CA 0.306 45.408 45.100 0.002 0.000 0.997 1276 G HN 0.637 nan 8.290 nan 0.000 0.551 1277 N N 2.234 120.945 118.700 0.018 0.000 2.235 1277 N HA 0.152 4.892 4.740 0.000 0.000 0.209 1277 N C -0.175 175.346 175.510 0.018 0.000 1.122 1277 N CA 0.259 53.319 53.050 0.016 0.000 0.845 1277 N CB 0.106 38.601 38.487 0.014 0.000 1.004 1277 N HN 0.457 nan 8.380 nan 0.000 0.499 1278 D N 1.709 122.126 120.400 0.029 0.000 2.368 1278 D HA 0.176 4.816 4.640 0.000 0.000 0.240 1278 D C -1.966 174.338 176.300 0.006 0.000 1.169 1278 D CA -0.926 53.090 54.000 0.028 0.000 0.906 1278 D CB 0.340 41.188 40.800 0.081 0.000 1.187 1278 D HN 0.036 nan 8.370 nan 0.000 0.435 1279 P HA 0.010 nan 4.420 nan 0.000 0.270 1279 P C 0.108 177.396 177.300 -0.020 0.000 1.223 1279 P CA -0.408 62.680 63.100 -0.019 0.000 0.785 1279 P CB 0.429 32.111 31.700 -0.031 0.000 0.923 1280 N N 2.552 121.243 118.700 -0.014 0.000 2.412 1280 N HA -0.004 4.736 4.740 0.000 0.000 0.258 1280 N C -0.409 175.092 175.510 -0.015 0.000 1.236 1280 N CA 0.569 53.609 53.050 -0.017 0.000 0.882 1280 N CB 0.243 38.714 38.487 -0.027 0.000 1.066 1280 N HN 0.321 nan 8.380 nan 0.000 0.465 1281 R N 1.322 121.820 120.500 -0.003 0.000 2.764 1281 R HA 0.257 4.597 4.340 0.000 0.000 0.270 1281 R C -1.458 174.873 176.300 0.051 0.000 1.014 1281 R CA -0.799 55.326 56.100 0.042 0.000 0.904 1281 R CB 1.309 31.638 30.300 0.048 0.000 1.236 1281 R HN 0.504 nan 8.270 nan 0.000 0.466 1282 D N 2.395 122.860 120.400 0.109 0.000 2.441 1282 D HA 0.239 4.879 4.640 0.000 0.000 0.221 1282 D C -0.235 176.195 176.300 0.217 0.000 1.156 1282 D CA 0.097 54.145 54.000 0.079 0.000 0.896 1282 D CB 0.691 41.526 40.800 0.057 0.000 1.028 1282 D HN 0.263 nan 8.370 nan 0.000 0.509 1283 I N 2.415 123.114 120.570 0.216 0.000 2.365 1283 I HA 0.060 4.230 4.170 0.000 0.000 0.291 1283 I C 0.584 176.901 176.117 0.333 0.000 1.004 1283 I CA -0.771 60.734 61.300 0.342 0.000 1.311 1283 I CB 1.341 39.537 38.000 0.327 0.000 1.401 1283 I HN 0.051 nan 8.210 nan 0.000 0.491 1284 L N 7.050 128.489 121.223 0.358 0.000 2.513 1284 L HA 0.180 4.520 4.340 0.000 0.000 0.272 1284 L C -0.012 177.023 176.870 0.274 0.000 1.187 1284 L CA 0.665 55.692 54.840 0.313 0.000 0.895 1284 L CB -0.121 42.092 42.059 0.256 0.000 1.147 1284 L HN 0.524 nan 8.230 nan 0.000 0.483 1285 I N 1.087 121.812 120.570 0.258 0.000 3.354 1285 I HA 0.897 5.067 4.170 0.000 0.000 0.316 1285 I C -0.596 175.626 176.117 0.175 0.000 1.182 1285 I CA -1.071 60.348 61.300 0.197 0.000 0.942 1285 I CB 1.936 40.060 38.000 0.207 0.000 1.299 1285 I HN 0.428 nan 8.210 nan 0.000 0.473 1286 A N 1.060 123.937 122.820 0.095 0.000 2.343 1286 A HA 0.893 5.214 4.320 0.000 0.000 0.308 1286 A C -0.706 176.925 177.584 0.078 0.000 1.092 1286 A CA -0.327 51.768 52.037 0.097 0.000 0.751 1286 A CB 1.138 20.154 19.000 0.027 0.000 1.203 1286 A HN 1.026 nan 8.150 nan 0.000 0.452 1287 S N 1.248 117.058 115.700 0.183 0.000 2.533 1287 S HA 0.369 4.839 4.470 0.000 0.000 0.271 1287 S C -0.118 174.615 174.600 0.222 0.000 1.143 1287 S CA -0.673 57.609 58.200 0.137 0.000 0.891 1287 S CB 1.127 64.355 63.200 0.047 0.000 1.105 1287 S HN 0.616 nan 8.310 nan 0.000 0.468 1288 N N 1.737 120.567 118.700 0.217 0.000 2.467 1288 N HA -0.007 4.733 4.740 0.000 0.000 0.184 1288 N C 1.148 176.848 175.510 0.317 0.000 1.106 1288 N CA 0.317 53.584 53.050 0.360 0.000 0.892 1288 N CB -0.171 38.477 38.487 0.269 0.000 0.969 1288 N HN 0.817 nan 8.380 nan 0.000 0.454 1289 W N 1.469 122.754 121.300 -0.025 0.000 2.321 1289 W HA -0.242 4.418 4.660 0.000 0.000 0.306 1289 W C 1.314 177.815 176.519 -0.031 0.000 1.217 1289 W CA 1.397 58.688 57.345 -0.091 0.000 1.257 1289 W CB -0.440 28.836 29.460 -0.307 0.000 1.145 1289 W HN 0.028 nan 8.180 nan 0.000 0.509 1290 Y N -0.884 119.544 120.300 0.215 0.000 2.256 1290 Y HA -0.205 4.345 4.550 0.000 0.000 0.288 1290 Y C 2.051 177.825 175.900 -0.209 0.000 1.155 1290 Y CA 1.647 59.712 58.100 -0.058 0.000 1.203 1290 Y CB -1.485 36.913 38.460 -0.103 0.000 0.980 1290 Y HN -0.116 nan 8.280 nan 0.000 0.530 1291 F N -0.421 119.583 119.950 0.090 0.000 2.494 1291 F HA -0.153 4.374 4.527 0.000 0.000 0.298 1291 F C 1.808 177.536 175.800 -0.119 0.000 1.106 1291 F CA 1.111 59.108 58.000 -0.005 0.000 1.452 1291 F CB -0.536 38.459 39.000 -0.007 0.000 1.085 1291 F HN 0.076 nan 8.300 nan 0.000 0.569 1292 N N -1.279 117.363 118.700 -0.097 0.000 2.230 1292 N HA -0.002 4.738 4.740 0.000 0.000 0.202 1292 N C -0.029 175.018 175.510 -0.771 0.000 1.119 1292 N CA 0.373 53.197 53.050 -0.377 0.000 0.851 1292 N CB -0.241 37.969 38.487 -0.461 0.000 0.990 1292 N HN 0.171 nan 8.380 nan 0.000 0.497 1293 H N -1.217 117.647 119.070 -0.343 0.000 2.985 1293 H HA 0.300 4.856 4.556 0.000 0.000 0.246 1293 H C 0.874 176.115 175.328 -0.145 0.000 1.181 1293 H CA -0.218 55.648 56.048 -0.303 0.000 0.972 1293 H CB 0.222 29.666 29.762 -0.531 0.000 2.016 1293 H HN 0.032 nan 8.280 nan 0.000 0.672 1294 L N 0.211 121.416 121.223 -0.030 0.000 2.450 1294 L HA -0.123 4.217 4.340 0.000 0.000 0.224 1294 L C 1.484 178.348 176.870 -0.010 0.000 1.149 1294 L CA 1.388 56.223 54.840 -0.009 0.000 0.816 1294 L CB -0.096 41.966 42.059 0.006 0.000 0.932 1294 L HN 0.239 nan 8.230 nan 0.000 0.449 1295 K N -0.869 119.520 120.400 -0.019 0.000 2.393 1295 K HA 0.056 4.376 4.320 0.000 0.000 0.193 1295 K C -0.015 176.587 176.600 0.003 0.000 1.026 1295 K CA -0.259 56.020 56.287 -0.013 0.000 1.064 1295 K CB 0.206 32.690 32.500 -0.027 0.000 0.833 1295 K HN 0.187 nan 8.250 nan 0.000 0.521 1296 D N 2.077 122.490 120.400 0.022 0.000 2.419 1296 D HA -0.075 4.565 4.640 0.000 0.000 0.236 1296 D C 1.149 177.464 176.300 0.025 0.000 1.165 1296 D CA 0.349 54.372 54.000 0.039 0.000 0.882 1296 D CB 0.889 41.734 40.800 0.075 0.000 1.201 1296 D HN 0.125 nan 8.370 nan 0.000 0.443 1297 K N 1.015 121.430 120.400 0.026 0.000 2.026 1297 K HA -0.075 4.245 4.320 0.000 0.000 0.208 1297 K C 0.430 177.037 176.600 0.012 0.000 1.048 1297 K CA 0.793 57.092 56.287 0.020 0.000 0.929 1297 K CB 0.176 32.691 32.500 0.025 0.000 0.713 1297 K HN 0.246 nan 8.250 nan 0.000 0.439 1298 I N 1.549 122.128 120.570 0.015 0.000 2.465 1298 I HA 0.377 4.547 4.170 0.000 0.000 0.291 1298 I C -1.084 175.038 176.117 0.008 0.000 1.014 1298 I CA -1.219 60.079 61.300 -0.003 0.000 1.093 1298 I CB 1.514 39.514 38.000 -0.000 0.000 1.267 1298 I HN 0.122 nan 8.210 nan 0.000 0.431 1299 L N 3.926 125.130 121.223 -0.031 0.000 2.431 1299 L HA 0.639 4.979 4.340 0.000 0.000 0.266 1299 L C 0.987 177.790 176.870 -0.111 0.000 0.978 1299 L CA -0.034 54.811 54.840 0.009 0.000 0.822 1299 L CB 2.196 44.263 42.059 0.013 0.000 1.310 1299 L HN 0.694 nan 8.230 nan 0.000 0.409 1300 G N 1.405 110.197 108.800 -0.014 0.000 2.708 1300 G HA2 -0.148 3.812 3.960 0.000 0.000 0.210 1300 G HA3 -0.148 3.812 3.960 0.000 0.000 0.210 1300 G C 0.923 175.505 174.900 -0.529 0.000 1.141 1300 G CA 0.844 45.833 45.100 -0.184 0.000 0.788 1300 G HN 0.871 nan 8.290 nan 0.000 0.531 1301 C N -0.684 118.172 119.300 -0.740 0.000 2.754 1301 C HA 0.355 4.815 4.460 0.000 0.000 0.276 1301 C C -0.327 174.385 174.990 -0.464 0.000 1.264 1301 C CA -1.553 56.998 59.018 -0.778 0.000 1.700 1301 C CB -0.589 26.478 27.740 -1.122 0.000 1.885 1301 C HN 0.097 nan 8.230 nan 0.000 0.607 1302 D N 0.702 120.776 120.400 -0.543 0.000 2.198 1302 D HA 0.432 5.072 4.640 0.000 0.000 0.245 1302 D C -0.907 175.030 176.300 -0.605 0.000 1.079 1302 D CA 0.439 54.200 54.000 -0.398 0.000 0.854 1302 D CB 0.712 41.317 40.800 -0.325 0.000 1.148 1302 D HN 0.614 nan 8.370 nan 0.000 0.456 1303 W N 1.574 122.779 121.300 -0.159 0.000 2.819 1303 W HA 0.353 5.013 4.660 0.000 0.000 0.337 1303 W C -0.612 175.917 176.519 0.016 0.000 1.077 1303 W CA -0.967 56.306 57.345 -0.119 0.000 1.226 1303 W CB 0.945 30.359 29.460 -0.076 0.000 1.419 1303 W HN 0.198 nan 8.180 nan 0.000 0.502 1304 Y N 1.862 122.357 120.300 0.326 0.000 2.323 1304 Y HA 0.445 4.995 4.550 0.000 0.000 0.331 1304 Y C -0.348 175.678 175.900 0.210 0.000 1.092 1304 Y CA -1.128 57.156 58.100 0.306 0.000 1.150 1304 Y CB 0.575 39.182 38.460 0.245 0.000 1.200 1304 Y HN 0.125 nan 8.280 nan 0.000 0.472 1305 F N 2.338 122.390 119.950 0.169 0.000 2.347 1305 F HA 0.444 4.971 4.527 0.000 0.000 0.366 1305 F C -0.543 175.318 175.800 0.102 0.000 1.107 1305 F CA -1.147 56.837 58.000 -0.027 0.000 1.058 1305 F CB 0.967 39.675 39.000 -0.488 0.000 1.236 1305 F HN 0.054 nan 8.300 nan 0.000 0.456 1306 V N 6.542 126.627 119.914 0.285 0.000 2.333 1306 V HA 0.395 4.515 4.120 0.000 0.000 0.274 1306 V C -2.167 174.267 176.094 0.568 0.000 1.028 1306 V CA -1.649 60.782 62.300 0.219 0.000 0.851 1306 V CB 1.024 32.757 31.823 -0.150 0.000 1.000 1306 V HN 0.440 nan 8.190 nan 0.000 0.456 1307 P HA 0.315 nan 4.420 nan 0.000 0.290 1307 P C -0.133 177.542 177.300 0.625 0.000 1.283 1307 P CA -0.325 63.077 63.100 0.503 0.000 0.869 1307 P CB 1.495 33.423 31.700 0.380 0.000 1.100 1308 T N -0.684 114.061 114.554 0.318 0.000 2.940 1308 T HA 0.202 4.552 4.350 0.000 0.000 0.309 1308 T C -0.173 174.636 174.700 0.182 0.000 1.056 1308 T CA -0.096 62.005 62.100 0.001 0.000 1.137 1308 T CB 0.296 68.994 68.868 -0.283 0.000 0.976 1308 T HN 0.481 nan 8.240 nan 0.000 0.547 1309 D N 1.070 121.591 120.400 0.201 0.000 2.947 1309 D HA 0.088 4.728 4.640 0.000 0.000 0.224 1309 D C 0.900 177.243 176.300 0.073 0.000 1.230 1309 D CA -0.515 53.535 54.000 0.084 0.000 0.871 1309 D CB 1.975 42.689 40.800 -0.144 0.000 1.671 1309 D HN 0.832 nan 8.370 nan 0.000 0.507 1310 E N 1.458 121.683 120.200 0.042 0.000 2.401 1310 E HA -0.050 4.300 4.350 0.000 0.000 0.199 1310 E C 1.253 177.933 176.600 0.134 0.000 1.023 1310 E CA 0.702 57.158 56.400 0.094 0.000 0.859 1310 E CB -0.085 29.670 29.700 0.091 0.000 0.780 1310 E HN 0.407 nan 8.360 nan 0.000 0.523 1311 G N 0.520 109.355 108.800 0.059 0.000 2.920 1311 G HA2 -0.114 3.846 3.960 0.000 0.000 0.208 1311 G HA3 -0.114 3.846 3.960 0.000 0.000 0.208 1311 G C -0.453 174.447 174.900 -0.001 0.000 1.159 1311 G CA -0.266 44.840 45.100 0.010 0.000 0.784 1311 G HN 0.301 nan 8.290 nan 0.000 0.535 1312 W N 1.254 122.484 121.300 -0.118 0.000 2.934 1312 W HA 0.529 5.190 4.660 0.000 0.000 0.333 1312 W C -1.606 175.007 176.519 0.157 0.000 1.035 1312 W CA -0.765 56.567 57.345 -0.023 0.000 1.256 1312 W CB 1.236 30.704 29.460 0.014 0.000 1.306 1312 W HN -0.195 nan 8.180 nan 0.000 0.430 1313 T N 5.576 120.234 114.554 0.173 0.000 2.824 1313 T HA 0.265 4.615 4.350 0.000 0.000 0.282 1313 T C 0.000 174.733 174.700 0.054 0.000 0.993 1313 T CA -0.508 61.735 62.100 0.238 0.000 0.967 1313 T CB 1.193 70.113 68.868 0.087 0.000 0.960 1313 T HN 0.192 nan 8.240 nan 0.000 0.441 1314 N N 3.425 122.267 118.700 0.238 0.000 2.513 1314 N HA 0.112 4.853 4.740 0.000 0.000 0.268 1314 N C 0.067 175.562 175.510 -0.027 0.000 1.180 1314 N CA -0.012 53.145 53.050 0.179 0.000 0.948 1314 N CB 0.659 39.321 38.487 0.291 0.000 1.083 1314 N HN 0.583 nan 8.380 nan 0.000 0.455 1315 D N 0.000 120.248 120.400 -0.254 0.000 6.856 1315 D HA 0.000 4.640 4.640 0.000 0.000 0.175 1315 D CA 0.000 53.744 54.000 -0.427 0.000 0.868 1315 D CB 0.000 40.231 40.800 -0.949 0.000 0.688 1315 D HN 0.000 nan 8.370 nan 0.000 0.683