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 1yxw_1_A DATA FIRST_RESID 875 DATA SEQUENCE EDIDVILKKS TILNLDINND IISDISGFNS SVITYPDAQL VPGINGKAIH DATA SEQUENCE LVNNESSEVI VHKAMDIEYN DMFNNFTVSF WLRVPKVSAS HLEQYGTNEY DATA SEQUENCE SIISSMKKHS LSIGSGWSVS LKGNNLIWTL KDSAGEVRQI TFRDLPDKFN DATA SEQUENCE AYLANKWVFI TITNDRLSSA NLYINGVLMG SAEITGLGAI REDNNITLKL DATA SEQUENCE DRCNNNNQYV SIDKFRIFCK ALNPKEIEKL YTSYLSITFL RDFWGNPLRY DATA SEQUENCE DTEYYLIPVA SSSKDVQLKN ITDYMYLTNA PSYTNGKLNI YYRRLYNGLK DATA SEQUENCE FIIKRYTPNN EIDSFVKSGD FIKLYVSYNN NEHIVGYPKD GNAFNNLDRI DATA SEQUENCE LRVGYNAPGI PLYKKMEAVK LRDLKTYSVQ LKLYDDKNAS LGLVGTHNGQ DATA SEQUENCE IGNDPNRDIL IASNWYFNHL KDKILGCDWY FVPTDEGWTN D VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 875 E HA 0.000 nan 4.350 nan 0.000 0.291 875 E C 0.000 176.593 176.600 -0.011 0.000 1.382 875 E CA 0.000 56.396 56.400 -0.007 0.000 0.976 875 E CB 0.000 29.699 29.700 -0.001 0.000 0.812 876 D N 1.026 121.421 120.400 -0.009 0.000 2.277 876 D HA 0.213 4.853 4.640 0.000 0.000 0.249 876 D C 1.025 177.315 176.300 -0.016 0.000 1.134 876 D CA 0.002 53.994 54.000 -0.013 0.000 0.863 876 D CB 0.759 41.553 40.800 -0.010 0.000 1.143 876 D HN 0.485 nan 8.370 nan 0.000 0.458 877 I N 2.765 123.320 120.570 -0.026 0.000 2.163 877 I HA -0.294 3.876 4.170 0.000 0.000 0.243 877 I C 1.620 177.721 176.117 -0.026 0.000 1.085 877 I CA 0.955 62.234 61.300 -0.035 0.000 1.347 877 I CB -0.066 37.906 38.000 -0.047 0.000 1.044 877 I HN 0.421 nan 8.210 nan 0.000 0.408 878 D N 0.549 120.935 120.400 -0.024 0.000 2.149 878 D HA -0.132 4.508 4.640 0.000 0.000 0.198 878 D C 2.337 178.640 176.300 0.004 0.000 0.990 878 D CA 1.125 55.115 54.000 -0.016 0.000 0.839 878 D CB -0.251 40.534 40.800 -0.025 0.000 0.948 878 D HN 0.187 nan 8.370 nan 0.000 0.460 879 V N 1.183 121.100 119.914 0.004 0.000 2.358 879 V HA -0.182 3.938 4.120 0.000 0.000 0.246 879 V C 2.523 178.637 176.094 0.034 0.000 1.047 879 V CA 0.920 63.230 62.300 0.016 0.000 1.035 879 V CB -0.265 31.564 31.823 0.010 0.000 0.658 879 V HN 0.173 nan 8.190 nan 0.000 0.452 880 I N -0.386 120.198 120.570 0.024 0.000 2.179 880 I HA -0.264 3.906 4.170 0.000 0.000 0.242 880 I C 2.368 178.532 176.117 0.078 0.000 1.088 880 I CA 1.639 62.959 61.300 0.034 0.000 1.357 880 I CB -0.370 37.628 38.000 -0.004 0.000 1.051 880 I HN 0.249 nan 8.210 nan 0.000 0.409 881 L N 0.353 121.618 121.223 0.071 0.000 2.042 881 L HA -0.238 4.102 4.340 0.000 0.000 0.210 881 L C 2.703 179.735 176.870 0.269 0.000 1.076 881 L CA 1.278 56.229 54.840 0.185 0.000 0.749 881 L CB -0.640 41.490 42.059 0.118 0.000 0.893 881 L HN 0.241 nan 8.230 nan 0.000 0.432 882 K N 0.862 121.344 120.400 0.138 0.000 2.007 882 K HA -0.141 4.179 4.320 0.000 0.000 0.206 882 K C 2.057 178.721 176.600 0.107 0.000 1.047 882 K CA 1.475 57.822 56.287 0.099 0.000 0.937 882 K CB -0.008 32.524 32.500 0.054 0.000 0.718 882 K HN 0.241 nan 8.250 nan 0.000 0.438 883 K N 0.150 120.613 120.400 0.104 0.000 2.211 883 K HA -0.005 4.315 4.320 0.000 0.000 0.203 883 K C 1.891 178.580 176.600 0.149 0.000 1.050 883 K CA 1.057 57.410 56.287 0.110 0.000 0.945 883 K CB 0.060 32.610 32.500 0.084 0.000 0.732 883 K HN -0.010 nan 8.250 nan 0.000 0.451 884 S N 0.484 116.295 115.700 0.186 0.000 2.562 884 S HA 0.003 4.473 4.470 0.000 0.000 0.221 884 S C 0.405 175.121 174.600 0.192 0.000 0.975 884 S CA 0.374 58.713 58.200 0.231 0.000 0.918 884 S CB 0.258 63.640 63.200 0.304 0.000 0.772 884 S HN 0.205 nan 8.310 nan 0.000 0.531 885 T N 3.812 118.416 114.554 0.082 0.000 2.761 885 T HA 0.221 4.571 4.350 0.000 0.000 0.296 885 T C 1.057 175.734 174.700 -0.038 0.000 0.934 885 T CA -0.202 61.788 62.100 -0.184 0.000 1.091 885 T CB 0.564 69.293 68.868 -0.231 0.000 0.896 885 T HN 0.283 nan 8.240 nan 0.000 0.515 886 I N 1.790 122.235 120.570 -0.209 0.000 4.154 886 I HA 0.471 4.641 4.170 0.000 0.000 0.334 886 I C -0.552 175.419 176.117 -0.243 0.000 1.371 886 I CA -0.026 61.064 61.300 -0.349 0.000 1.110 886 I CB -0.018 37.596 38.000 -0.644 0.000 1.085 886 I HN 0.365 nan 8.210 nan 0.000 0.398 887 L N 2.189 123.290 121.223 -0.202 0.000 2.614 887 L HA 0.610 4.950 4.340 0.000 0.000 0.264 887 L C -1.987 174.803 176.870 -0.133 0.000 0.940 887 L CA -0.193 54.580 54.840 -0.113 0.000 0.903 887 L CB 1.699 43.681 42.059 -0.130 0.000 1.306 887 L HN 0.160 nan 8.230 nan 0.000 0.410 888 N N 5.237 123.932 118.700 -0.009 0.000 2.594 888 N HA 0.388 5.128 4.740 0.000 0.000 0.280 888 N C -1.746 173.828 175.510 0.107 0.000 1.156 888 N CA -0.327 52.732 53.050 0.015 0.000 0.831 888 N CB 1.321 39.809 38.487 0.001 0.000 1.379 888 N HN 0.673 nan 8.380 nan 0.000 0.536 889 L N 1.674 123.001 121.223 0.173 0.000 2.367 889 L HA 0.380 4.720 4.340 0.000 0.000 0.275 889 L C 0.092 177.061 176.870 0.165 0.000 1.129 889 L CA -0.174 54.781 54.840 0.191 0.000 0.839 889 L CB 0.753 42.966 42.059 0.258 0.000 1.133 889 L HN 0.456 nan 8.230 nan 0.000 0.453 890 D N 2.976 123.455 120.400 0.131 0.000 2.732 890 D HA 0.462 5.102 4.640 0.000 0.000 0.229 890 D C -1.007 175.350 176.300 0.096 0.000 1.152 890 D CA -0.455 53.613 54.000 0.113 0.000 0.854 890 D CB 1.968 42.828 40.800 0.099 0.000 1.590 890 D HN 0.093 nan 8.370 nan 0.000 0.468 891 I N 2.932 123.552 120.570 0.084 0.000 2.339 891 I HA 0.436 4.606 4.170 0.000 0.000 0.290 891 I C -0.381 175.774 176.117 0.063 0.000 0.994 891 I CA -0.624 60.720 61.300 0.074 0.000 1.191 891 I CB 0.669 38.711 38.000 0.070 0.000 1.343 891 I HN 0.273 nan 8.210 nan 0.000 0.458 892 N N 6.271 125.006 118.700 0.059 0.000 2.324 892 N HA 0.233 4.974 4.740 0.000 0.000 0.285 892 N C -0.549 174.990 175.510 0.047 0.000 1.076 892 N CA -0.536 52.546 53.050 0.053 0.000 0.864 892 N CB 2.030 40.547 38.487 0.050 0.000 1.632 892 N HN 0.436 nan 8.380 nan 0.000 0.478 893 N N 1.604 120.331 118.700 0.044 0.000 2.721 893 N HA -0.180 4.560 4.740 0.000 0.000 0.249 893 N C -0.904 174.629 175.510 0.038 0.000 1.072 893 N CA 0.954 54.027 53.050 0.038 0.000 0.710 893 N CB -0.806 37.701 38.487 0.033 0.000 0.993 893 N HN 0.718 nan 8.380 nan 0.000 0.547 894 D N -1.699 118.727 120.400 0.044 0.000 2.882 894 D HA -0.201 4.439 4.640 0.000 0.000 0.229 894 D C 0.001 176.329 176.300 0.046 0.000 1.167 894 D CA 1.001 55.028 54.000 0.045 0.000 0.759 894 D CB -0.657 40.166 40.800 0.038 0.000 1.088 894 D HN 0.489 nan 8.370 nan 0.000 0.425 895 I N 0.716 121.315 120.570 0.049 0.000 2.569 895 I HA 0.415 4.585 4.170 0.000 0.000 0.296 895 I C 0.829 176.983 176.117 0.062 0.000 1.028 895 I CA -0.781 60.549 61.300 0.050 0.000 1.082 895 I CB 1.910 39.936 38.000 0.043 0.000 1.264 895 I HN -0.174 nan 8.210 nan 0.000 0.429 896 I N 4.440 125.051 120.570 0.068 0.000 2.377 896 I HA 0.473 4.643 4.170 0.000 0.000 0.293 896 I C 0.146 176.313 176.117 0.083 0.000 0.987 896 I CA -0.116 61.233 61.300 0.082 0.000 1.185 896 I CB 1.748 39.802 38.000 0.091 0.000 1.341 896 I HN 0.714 nan 8.210 nan 0.000 0.455 897 S N 2.627 118.381 115.700 0.090 0.000 2.615 897 S HA 0.350 4.820 4.470 0.000 0.000 0.269 897 S C -1.414 173.248 174.600 0.102 0.000 1.161 897 S CA -1.069 57.185 58.200 0.090 0.000 0.817 897 S CB 1.956 65.200 63.200 0.074 0.000 1.131 897 S HN 0.581 nan 8.310 nan 0.000 0.467 898 D N 0.587 121.050 120.400 0.104 0.000 2.295 898 D HA 0.421 5.061 4.640 0.000 0.000 0.248 898 D C 0.797 177.152 176.300 0.092 0.000 1.154 898 D CA -0.590 53.476 54.000 0.110 0.000 0.857 898 D CB 0.491 41.365 40.800 0.123 0.000 1.117 898 D HN 0.662 nan 8.370 nan 0.000 0.468 899 I N 0.963 121.584 120.570 0.085 0.000 3.974 899 I HA 0.169 4.339 4.170 0.000 0.000 0.334 899 I C 1.236 177.390 176.117 0.062 0.000 1.437 899 I CA -0.352 60.988 61.300 0.066 0.000 1.113 899 I CB 0.185 38.221 38.000 0.061 0.000 1.063 899 I HN 0.235 nan 8.210 nan 0.000 0.400 900 S N 1.179 116.933 115.700 0.089 0.000 2.399 900 S HA 0.098 4.568 4.470 0.000 0.000 0.231 900 S C 1.786 176.441 174.600 0.091 0.000 1.022 900 S CA 1.247 59.518 58.200 0.118 0.000 0.983 900 S CB -0.336 62.984 63.200 0.200 0.000 0.803 900 S HN 0.865 nan 8.310 nan 0.000 0.480 901 G N -0.156 108.669 108.800 0.042 0.000 2.284 901 G HA2 -0.179 3.781 3.960 0.000 0.000 0.201 901 G HA3 -0.179 3.781 3.960 0.000 0.000 0.201 901 G C 0.443 175.209 174.900 -0.223 0.000 0.998 901 G CA 0.048 45.077 45.100 -0.118 0.000 0.651 901 G HN 0.510 nan 8.290 nan 0.000 0.489 902 F N 1.797 121.756 119.950 0.015 0.000 2.789 902 F HA 0.291 4.818 4.527 0.000 0.000 0.300 902 F C 1.360 177.179 175.800 0.031 0.000 1.132 902 F CA 0.433 58.447 58.000 0.022 0.000 1.404 902 F CB 0.109 39.120 39.000 0.019 0.000 1.114 902 F HN 0.090 nan 8.300 nan 0.000 0.584 903 N N 1.035 119.832 118.700 0.162 0.000 2.714 903 N HA -0.193 4.547 4.740 0.000 0.000 0.253 903 N C -0.289 175.303 175.510 0.138 0.000 1.024 903 N CA 0.614 53.736 53.050 0.121 0.000 0.726 903 N CB -1.311 37.224 38.487 0.080 0.000 0.908 903 N HN 0.079 nan 8.380 nan 0.000 0.542 904 S N 0.098 115.888 115.700 0.151 0.000 2.564 904 S HA 0.183 4.653 4.470 0.000 0.000 0.278 904 S C 0.717 175.398 174.600 0.135 0.000 1.333 904 S CA -0.400 57.882 58.200 0.137 0.000 1.048 904 S CB 1.510 64.782 63.200 0.121 0.000 0.900 904 S HN 0.396 nan 8.310 nan 0.000 0.505 905 S N 2.286 118.079 115.700 0.155 0.000 2.549 905 S HA 0.347 4.817 4.470 0.000 0.000 0.279 905 S C -0.543 174.141 174.600 0.139 0.000 1.321 905 S CA -0.604 57.681 58.200 0.141 0.000 1.054 905 S CB 0.087 63.380 63.200 0.155 0.000 0.899 905 S HN 0.445 nan 8.310 nan 0.000 0.497 906 V N 6.621 126.601 119.914 0.110 0.000 2.409 906 V HA 0.478 4.599 4.120 0.000 0.000 0.291 906 V C -0.565 175.586 176.094 0.094 0.000 1.020 906 V CA -0.841 61.525 62.300 0.109 0.000 0.848 906 V CB 1.536 33.421 31.823 0.105 0.000 0.990 906 V HN 0.746 nan 8.190 nan 0.000 0.430 907 I N 3.694 124.333 120.570 0.115 0.000 2.355 907 I HA 0.401 4.571 4.170 0.000 0.000 0.288 907 I C 0.344 176.565 176.117 0.173 0.000 0.999 907 I CA -0.183 61.182 61.300 0.109 0.000 1.163 907 I CB 1.336 39.417 38.000 0.135 0.000 1.316 907 I HN 0.500 nan 8.210 nan 0.000 0.454 908 T N 6.480 121.097 114.554 0.104 0.000 2.749 908 T HA 0.467 4.817 4.350 0.000 0.000 0.287 908 T C -0.179 174.592 174.700 0.117 0.000 0.970 908 T CA -0.253 61.935 62.100 0.148 0.000 0.980 908 T CB 0.487 69.409 68.868 0.090 0.000 0.924 908 T HN 0.126 nan 8.240 nan 0.000 0.456 909 Y N 3.309 123.612 120.300 0.005 0.000 2.300 909 Y HA 0.248 4.798 4.550 0.000 0.000 0.328 909 Y C -1.208 174.695 175.900 0.005 0.000 1.270 909 Y CA -1.952 56.148 58.100 0.001 0.000 1.352 909 Y CB 0.042 38.497 38.460 -0.007 0.000 1.286 909 Y HN 0.478 nan 8.280 nan 0.000 0.536 910 P HA -0.225 nan 4.420 nan 0.000 0.217 910 P C 0.804 178.148 177.300 0.073 0.000 1.158 910 P CA 1.983 65.120 63.100 0.062 0.000 0.887 910 P CB 0.292 32.017 31.700 0.042 0.000 0.792 911 D N -1.388 119.066 120.400 0.089 0.000 2.325 911 D HA 0.148 4.788 4.640 0.000 0.000 0.225 911 D C 0.088 176.429 176.300 0.068 0.000 1.096 911 D CA -0.013 54.026 54.000 0.065 0.000 0.844 911 D CB -0.286 40.541 40.800 0.046 0.000 0.925 911 D HN 0.019 nan 8.370 nan 0.000 0.513 912 A N 1.043 123.917 122.820 0.089 0.000 2.350 912 A HA 0.285 4.605 4.320 0.000 0.000 0.293 912 A C 0.369 178.010 177.584 0.095 0.000 1.231 912 A CA -0.239 51.849 52.037 0.085 0.000 0.883 912 A CB 0.248 19.310 19.000 0.103 0.000 1.133 912 A HN 0.100 nan 8.150 nan 0.000 0.533 913 Q N 1.125 120.995 119.800 0.116 0.000 2.212 913 Q HA 0.663 5.003 4.340 0.000 0.000 0.238 913 Q C -0.876 175.211 176.000 0.145 0.000 0.955 913 Q CA -0.374 55.507 55.803 0.130 0.000 0.906 913 Q CB 1.670 30.508 28.738 0.166 0.000 1.215 913 Q HN 0.722 nan 8.270 nan 0.000 0.478 914 L N 1.908 123.194 121.223 0.105 0.000 2.341 914 L HA 0.680 5.020 4.340 0.000 0.000 0.278 914 L C -0.501 176.413 176.870 0.075 0.000 1.005 914 L CA -0.901 54.002 54.840 0.103 0.000 0.818 914 L CB 1.470 43.578 42.059 0.081 0.000 1.259 914 L HN 0.486 nan 8.230 nan 0.000 0.418 915 V N 1.189 121.161 119.914 0.097 0.000 3.156 915 V HA 0.699 4.819 4.120 0.000 0.000 0.310 915 V C -2.764 173.396 176.094 0.111 0.000 1.234 915 V CA -2.665 59.673 62.300 0.064 0.000 1.065 915 V CB 1.782 33.596 31.823 -0.015 0.000 1.088 915 V HN 0.457 nan 8.190 nan 0.000 0.451 916 P HA 0.435 nan 4.420 nan 0.000 0.267 916 P C -0.042 177.316 177.300 0.096 0.000 1.200 916 P CA 0.901 64.047 63.100 0.076 0.000 0.772 916 P CB 0.506 32.248 31.700 0.071 0.000 0.855 917 G N 0.884 109.609 108.800 -0.125 0.000 3.015 917 G HA2 0.313 4.273 3.960 0.000 0.000 0.281 917 G HA3 0.313 4.273 3.960 0.000 0.000 0.281 917 G C 0.329 174.813 174.900 -0.693 0.000 1.386 917 G CA -0.551 44.284 45.100 -0.442 0.000 0.959 917 G HN 0.400 nan 8.290 nan 0.000 0.522 918 I N -0.477 119.435 120.570 -1.097 0.000 2.454 918 I HA 0.033 4.203 4.170 0.000 0.000 0.254 918 I C 0.715 176.481 176.117 -0.584 0.000 1.156 918 I CA 0.863 61.559 61.300 -1.008 0.000 1.433 918 I CB -0.057 36.983 38.000 -1.600 0.000 1.082 918 I HN 0.448 nan 8.210 nan 0.000 0.432 919 N N 0.180 118.621 118.700 -0.432 0.000 2.785 919 N HA 0.433 5.173 4.740 0.000 0.000 0.224 919 N C -0.260 175.184 175.510 -0.110 0.000 1.448 919 N CA 0.494 53.426 53.050 -0.197 0.000 0.748 919 N CB 0.248 38.666 38.487 -0.116 0.000 1.385 919 N HN 0.350 nan 8.380 nan 0.000 0.538 920 G N 1.459 110.198 108.800 -0.101 0.000 2.456 920 G HA2 -0.100 3.860 3.960 0.000 0.000 0.204 920 G HA3 -0.100 3.860 3.960 0.000 0.000 0.204 920 G C -1.386 173.482 174.900 -0.053 0.000 1.193 920 G CA -0.714 44.370 45.100 -0.027 0.000 1.220 920 G HN 0.400 nan 8.290 nan 0.000 0.565 921 K N 0.463 120.856 120.400 -0.011 0.000 2.221 921 K HA 0.784 5.104 4.320 0.000 0.000 0.243 921 K C 0.027 176.635 176.600 0.014 0.000 0.968 921 K CA -0.044 56.252 56.287 0.014 0.000 0.846 921 K CB 2.119 34.652 32.500 0.056 0.000 1.141 921 K HN 1.047 nan 8.250 nan 0.000 0.434 922 A N 1.779 124.644 122.820 0.074 0.000 2.435 922 A HA 0.638 4.958 4.320 0.000 0.000 0.296 922 A C -0.671 177.045 177.584 0.220 0.000 1.147 922 A CA -0.882 51.240 52.037 0.141 0.000 0.775 922 A CB 0.644 19.762 19.000 0.196 0.000 1.340 922 A HN 0.666 nan 8.150 nan 0.000 0.427 923 I N 1.670 122.391 120.570 0.252 0.000 2.395 923 I HA 0.212 4.382 4.170 0.000 0.000 0.289 923 I C 0.027 176.321 176.117 0.294 0.000 1.023 923 I CA 0.018 61.454 61.300 0.227 0.000 1.350 923 I CB 0.659 38.761 38.000 0.171 0.000 1.409 923 I HN 0.651 nan 8.210 nan 0.000 0.507 924 H N 7.596 126.742 119.070 0.127 0.000 2.646 924 H HA 0.490 5.046 4.556 0.000 0.000 0.328 924 H C -1.524 173.845 175.328 0.068 0.000 0.998 924 H CA -0.721 55.385 56.048 0.097 0.000 1.225 924 H CB 1.403 31.192 29.762 0.045 0.000 1.457 924 H HN 0.474 nan 8.280 nan 0.000 0.505 925 L N 6.233 127.297 121.223 -0.265 0.000 2.296 925 L HA 0.361 4.701 4.340 0.000 0.000 0.286 925 L C 0.340 177.071 176.870 -0.232 0.000 1.023 925 L CA -1.041 53.692 54.840 -0.179 0.000 0.812 925 L CB 1.684 43.698 42.059 -0.076 0.000 1.223 925 L HN 0.336 nan 8.230 nan 0.000 0.421 926 V N -0.414 119.420 119.914 -0.134 0.000 3.211 926 V HA 0.470 4.590 4.120 0.000 0.000 0.319 926 V C 0.145 176.200 176.094 -0.065 0.000 1.096 926 V CA -0.883 61.377 62.300 -0.068 0.000 1.029 926 V CB 1.717 33.528 31.823 -0.021 0.000 1.137 926 V HN 0.715 nan 8.190 nan 0.000 0.453 927 N N 2.840 121.497 118.700 -0.071 0.000 3.303 927 N HA 0.226 4.966 4.740 0.000 0.000 0.304 927 N C -0.663 174.793 175.510 -0.091 0.000 1.302 927 N CA -0.031 52.952 53.050 -0.112 0.000 1.213 927 N CB -1.224 37.156 38.487 -0.179 0.000 1.481 927 N HN 1.042 nan 8.380 nan 0.000 0.546 928 N N -2.191 116.467 118.700 -0.071 0.000 2.494 928 N HA 0.210 4.951 4.740 0.000 0.000 0.270 928 N C 0.116 175.589 175.510 -0.061 0.000 1.285 928 N CA -0.690 52.326 53.050 -0.057 0.000 0.812 928 N CB 0.827 39.294 38.487 -0.033 0.000 1.557 928 N HN -0.092 nan 8.380 nan 0.000 0.487 929 E N -0.387 119.779 120.200 -0.056 0.000 2.409 929 E HA -0.044 4.306 4.350 0.000 0.000 0.198 929 E C 0.374 176.944 176.600 -0.050 0.000 1.024 929 E CA 0.721 57.079 56.400 -0.070 0.000 0.861 929 E CB -0.046 29.619 29.700 -0.059 0.000 0.788 929 E HN 0.564 nan 8.360 nan 0.000 0.521 930 S N 0.341 116.044 115.700 0.004 0.000 2.527 930 S HA -0.011 4.459 4.470 0.000 0.000 0.222 930 S C 1.040 175.684 174.600 0.073 0.000 0.985 930 S CA 0.017 58.265 58.200 0.080 0.000 0.921 930 S CB 0.301 63.545 63.200 0.074 0.000 0.772 930 S HN -0.004 nan 8.310 nan 0.000 0.529 931 S N 2.570 118.269 115.700 -0.002 0.000 3.170 931 S HA 0.277 4.747 4.470 0.000 0.000 0.257 931 S C -0.450 174.112 174.600 -0.063 0.000 1.284 931 S CA -0.681 57.515 58.200 -0.006 0.000 0.973 931 S CB -0.446 62.742 63.200 -0.020 0.000 1.330 931 S HN 0.569 nan 8.310 nan 0.000 0.493 932 E N 1.022 121.177 120.200 -0.075 0.000 2.412 932 E HA 0.647 4.997 4.350 0.000 0.000 0.279 932 E C -1.704 174.861 176.600 -0.057 0.000 0.984 932 E CA -1.166 55.134 56.400 -0.166 0.000 0.788 932 E CB 1.458 30.918 29.700 -0.400 0.000 1.277 932 E HN 0.163 nan 8.360 nan 0.000 0.455 933 V N 2.199 122.078 119.914 -0.059 0.000 2.525 933 V HA 0.421 4.541 4.120 0.000 0.000 0.299 933 V C -0.594 175.493 176.094 -0.011 0.000 1.034 933 V CA -0.542 61.777 62.300 0.032 0.000 0.863 933 V CB 1.310 33.148 31.823 0.025 0.000 0.999 933 V HN 0.618 nan 8.190 nan 0.000 0.423 934 I N 4.924 125.539 120.570 0.076 0.000 2.378 934 I HA 0.482 4.652 4.170 0.000 0.000 0.291 934 I C -0.573 175.601 176.117 0.095 0.000 0.992 934 I CA -0.890 60.445 61.300 0.058 0.000 1.154 934 I CB 2.129 40.194 38.000 0.109 0.000 1.315 934 I HN 0.255 nan 8.210 nan 0.000 0.448 935 V N 5.566 125.524 119.914 0.073 0.000 2.347 935 V HA 0.168 4.288 4.120 0.000 0.000 0.280 935 V C -0.340 175.837 176.094 0.138 0.000 1.021 935 V CA -0.593 61.776 62.300 0.115 0.000 0.847 935 V CB 0.999 32.895 31.823 0.121 0.000 0.990 935 V HN 0.579 nan 8.190 nan 0.000 0.444 936 H N 4.849 123.959 119.070 0.068 0.000 2.705 936 H HA 0.389 4.945 4.556 0.000 0.000 0.291 936 H C 0.255 175.627 175.328 0.074 0.000 1.085 936 H CA -0.447 55.637 56.048 0.060 0.000 1.357 936 H CB 0.489 30.282 29.762 0.052 0.000 1.419 936 H HN 0.542 nan 8.280 nan 0.000 0.462 937 K N 3.524 123.785 120.400 -0.233 0.000 2.484 937 K HA 0.207 4.527 4.320 0.000 0.000 0.280 937 K C 0.094 176.611 176.600 -0.139 0.000 1.013 937 K CA 0.297 56.508 56.287 -0.128 0.000 1.029 937 K CB 0.508 32.964 32.500 -0.074 0.000 0.902 937 K HN 0.722 nan 8.250 nan 0.000 0.481 938 A N 3.843 126.666 122.820 0.006 0.000 2.406 938 A HA 0.038 4.358 4.320 0.000 0.000 0.243 938 A C 1.287 178.896 177.584 0.041 0.000 1.082 938 A CA -0.146 51.931 52.037 0.065 0.000 0.786 938 A CB 0.197 19.286 19.000 0.148 0.000 1.029 938 A HN 0.911 nan 8.150 nan 0.000 0.495 939 M N 0.386 120.024 119.600 0.064 0.000 2.073 939 M HA -0.192 4.288 4.480 0.000 0.000 0.258 939 M C 0.994 177.331 176.300 0.061 0.000 1.070 939 M CA 2.075 57.407 55.300 0.053 0.000 1.103 939 M CB -0.598 32.041 32.600 0.066 0.000 1.321 939 M HN 0.757 nan 8.290 nan 0.000 0.405 940 D N 0.383 120.851 120.400 0.113 0.000 2.310 940 D HA -0.014 4.626 4.640 0.000 0.000 0.212 940 D C 0.879 177.194 176.300 0.025 0.000 0.965 940 D CA 0.713 54.793 54.000 0.134 0.000 0.879 940 D CB -0.280 40.698 40.800 0.296 0.000 0.921 940 D HN 0.390 nan 8.370 nan 0.000 0.510 941 I N 1.953 122.499 120.570 -0.041 0.000 2.270 941 I HA -0.003 4.167 4.170 0.000 0.000 0.300 941 I C -0.608 175.518 176.117 0.015 0.000 1.186 941 I CA 0.137 61.340 61.300 -0.162 0.000 1.431 941 I CB -0.281 37.602 38.000 -0.195 0.000 1.485 941 I HN -0.274 nan 8.210 nan 0.000 0.650 942 E N 6.694 126.910 120.200 0.028 0.000 2.267 942 E HA 0.114 4.464 4.350 0.000 0.000 0.248 942 E C -0.832 175.806 176.600 0.063 0.000 0.899 942 E CA -0.376 56.045 56.400 0.034 0.000 0.764 942 E CB 1.100 30.789 29.700 -0.019 0.000 1.227 942 E HN 0.667 nan 8.360 nan 0.000 0.421 943 Y N 0.612 120.854 120.300 -0.098 0.000 2.462 943 Y HA 0.341 4.891 4.550 0.000 0.000 0.253 943 Y C 0.742 176.577 175.900 -0.110 0.000 1.095 943 Y CA -0.417 57.639 58.100 -0.074 0.000 1.283 943 Y CB 0.192 38.615 38.460 -0.063 0.000 1.138 943 Y HN 0.170 nan 8.280 nan 0.000 0.522 944 N N 2.040 120.223 118.700 -0.861 0.000 2.376 944 N HA 0.071 4.811 4.740 0.000 0.000 0.249 944 N C -0.768 174.556 175.510 -0.310 0.000 1.140 944 N CA 0.069 52.716 53.050 -0.673 0.000 0.870 944 N CB -0.099 37.843 38.487 -0.909 0.000 1.124 944 N HN 0.444 nan 8.380 nan 0.000 0.505 945 D N 0.485 120.783 120.400 -0.170 0.000 2.111 945 D HA 0.005 4.645 4.640 0.000 0.000 0.247 945 D C 1.089 177.387 176.300 -0.003 0.000 1.266 945 D CA 0.311 54.272 54.000 -0.065 0.000 0.959 945 D CB 0.382 41.180 40.800 -0.004 0.000 1.258 945 D HN -0.036 nan 8.370 nan 0.000 0.534 946 M N 0.763 120.414 119.600 0.085 0.000 2.720 946 M HA 0.053 4.533 4.480 0.000 0.000 0.328 946 M C -0.404 176.151 176.300 0.426 0.000 1.682 946 M CA 0.307 55.757 55.300 0.250 0.000 1.381 946 M CB -1.708 31.044 32.600 0.252 0.000 1.868 946 M HN 0.392 nan 8.290 nan 0.000 0.459 947 F N 0.620 120.588 119.950 0.030 0.000 3.027 947 F HA -0.300 4.227 4.527 0.000 0.000 0.276 947 F C 0.037 175.883 175.800 0.077 0.000 0.967 947 F CA 0.142 58.178 58.000 0.059 0.000 0.929 947 F CB -2.346 36.683 39.000 0.048 0.000 0.873 947 F HN 0.500 nan 8.300 nan 0.000 0.787 948 N N 1.293 120.109 118.700 0.193 0.000 2.426 948 N HA 0.310 5.050 4.740 0.000 0.000 0.275 948 N C 0.020 175.695 175.510 0.275 0.000 1.019 948 N CA -0.654 52.508 53.050 0.186 0.000 0.941 948 N CB 0.519 39.078 38.487 0.119 0.000 1.123 948 N HN 0.086 nan 8.380 nan 0.000 0.486 949 N N 1.669 120.522 118.700 0.255 0.000 2.492 949 N HA 0.273 5.013 4.740 0.000 0.000 0.260 949 N C -0.824 174.924 175.510 0.398 0.000 1.215 949 N CA 0.254 53.465 53.050 0.269 0.000 0.923 949 N CB 0.143 38.711 38.487 0.135 0.000 1.092 949 N HN 0.461 nan 8.380 nan 0.000 0.448 950 F N -2.384 117.633 119.950 0.111 0.000 2.693 950 F HA 0.654 5.181 4.527 0.000 0.000 0.309 950 F C -0.924 174.896 175.800 0.034 0.000 1.129 950 F CA -0.916 57.169 58.000 0.140 0.000 0.948 950 F CB 1.011 40.219 39.000 0.348 0.000 1.315 950 F HN 0.134 nan 8.300 nan 0.000 0.447 951 T N 1.986 116.557 114.554 0.029 0.000 2.893 951 T HA 0.697 5.047 4.350 0.000 0.000 0.293 951 T C -1.398 173.273 174.700 -0.048 0.000 1.027 951 T CA -0.664 61.327 62.100 -0.182 0.000 0.988 951 T CB 2.039 70.781 68.868 -0.210 0.000 1.043 951 T HN 0.633 nan 8.240 nan 0.000 0.461 952 V N 3.052 122.798 119.914 -0.279 0.000 2.604 952 V HA 0.838 4.959 4.120 0.000 0.000 0.305 952 V C -0.266 175.675 176.094 -0.254 0.000 1.043 952 V CA -0.662 61.474 62.300 -0.272 0.000 0.888 952 V CB 1.951 33.546 31.823 -0.380 0.000 0.995 952 V HN 1.101 nan 8.190 nan 0.000 0.429 953 S N 3.855 119.463 115.700 -0.153 0.000 2.588 953 S HA 0.997 5.467 4.470 0.000 0.000 0.275 953 S C -1.046 173.570 174.600 0.027 0.000 1.130 953 S CA -0.745 57.285 58.200 -0.283 0.000 0.855 953 S CB 2.499 65.594 63.200 -0.175 0.000 1.116 953 S HN 1.350 nan 8.310 nan 0.000 0.472 954 F N -3.353 116.430 119.950 -0.277 0.000 2.804 954 F HA 0.648 5.175 4.527 0.000 0.000 0.320 954 F C -2.202 173.626 175.800 0.048 0.000 1.135 954 F CA -1.782 56.263 58.000 0.075 0.000 0.947 954 F CB -0.102 39.077 39.000 0.298 0.000 1.260 954 F HN 0.679 nan 8.300 nan 0.000 0.447 955 W N 2.782 124.300 121.300 0.363 0.000 2.313 955 W HA 0.718 5.378 4.660 0.000 0.000 0.328 955 W C -0.765 176.149 176.519 0.657 0.000 1.197 955 W CA -0.472 57.113 57.345 0.400 0.000 1.235 955 W CB 1.552 31.140 29.460 0.214 0.000 1.158 955 W HN 0.656 nan 8.180 nan 0.000 0.578 956 L N 3.030 124.753 121.223 0.833 0.000 2.388 956 L HA 0.624 4.964 4.340 0.000 0.000 0.264 956 L C -0.986 176.125 176.870 0.402 0.000 0.998 956 L CA -1.258 53.981 54.840 0.666 0.000 0.817 956 L CB 1.957 44.292 42.059 0.460 0.000 1.338 956 L HN 0.470 nan 8.230 nan 0.000 0.414 957 R N 3.915 124.421 120.500 0.011 0.000 2.575 957 R HA 0.634 4.974 4.340 0.000 0.000 0.292 957 R C -1.937 174.292 176.300 -0.118 0.000 1.246 957 R CA -0.496 55.412 56.100 -0.319 0.000 0.973 957 R CB 1.358 30.896 30.300 -1.270 0.000 1.187 957 R HN 0.584 nan 8.270 nan 0.000 0.478 958 V N 2.273 122.174 119.914 -0.020 0.000 2.417 958 V HA 0.676 4.796 4.120 0.000 0.000 0.291 958 V C -2.292 173.773 176.094 -0.049 0.000 1.024 958 V CA -2.411 59.884 62.300 -0.009 0.000 0.861 958 V CB 1.297 33.143 31.823 0.039 0.000 0.985 958 V HN 0.581 nan 8.190 nan 0.000 0.436 959 P HA 0.091 nan 4.420 nan 0.000 0.269 959 P C -0.481 176.742 177.300 -0.129 0.000 1.215 959 P CA -0.270 62.748 63.100 -0.137 0.000 0.780 959 P CB 0.841 32.384 31.700 -0.262 0.000 0.898 960 K N 1.917 122.229 120.400 -0.145 0.000 2.447 960 K HA 0.138 4.458 4.320 0.000 0.000 0.281 960 K C -0.494 175.981 176.600 -0.208 0.000 1.031 960 K CA -0.370 55.772 56.287 -0.242 0.000 1.019 960 K CB 0.072 32.231 32.500 -0.568 0.000 0.918 960 K HN 0.180 nan 8.250 nan 0.000 0.476 961 V N 4.979 124.813 119.914 -0.133 0.000 2.470 961 V HA -0.019 4.101 4.120 0.000 0.000 0.276 961 V C 0.556 176.611 176.094 -0.065 0.000 1.040 961 V CA -0.344 61.931 62.300 -0.042 0.000 1.008 961 V CB 0.664 32.499 31.823 0.021 0.000 0.990 961 V HN 0.968 nan 8.190 nan 0.000 0.477 962 S N 4.668 120.342 115.700 -0.043 0.000 2.584 962 S HA 0.352 4.822 4.470 0.000 0.000 0.270 962 S C 1.432 176.011 174.600 -0.036 0.000 1.346 962 S CA 0.008 58.140 58.200 -0.113 0.000 1.018 962 S CB 1.295 64.352 63.200 -0.238 0.000 0.899 962 S HN 1.067 nan 8.310 nan 0.000 0.542 963 A N 2.579 125.379 122.820 -0.032 0.000 1.883 963 A HA -0.058 4.262 4.320 0.000 0.000 0.217 963 A C 2.448 180.046 177.584 0.023 0.000 1.186 963 A CA 2.099 54.167 52.037 0.051 0.000 0.624 963 A CB -1.669 17.400 19.000 0.116 0.000 0.822 963 A HN 0.877 nan 8.150 nan 0.000 0.444 964 S N -0.962 114.714 115.700 -0.039 0.000 2.353 964 S HA -0.206 4.265 4.470 0.000 0.000 0.222 964 S C 1.781 176.396 174.600 0.026 0.000 1.035 964 S CA 1.586 59.759 58.200 -0.045 0.000 1.025 964 S CB -0.663 62.464 63.200 -0.122 0.000 0.902 964 S HN 0.801 nan 8.310 nan 0.000 0.440 965 H N 0.378 119.459 119.070 0.018 0.000 2.421 965 H HA 0.021 4.577 4.556 0.000 0.000 0.298 965 H C 2.223 177.598 175.328 0.079 0.000 1.087 965 H CA 1.005 57.110 56.048 0.096 0.000 1.330 965 H CB -0.107 29.753 29.762 0.162 0.000 1.388 965 H HN 0.201 nan 8.280 nan 0.000 0.526 966 L N 0.693 122.017 121.223 0.169 0.000 2.083 966 L HA -0.175 4.165 4.340 0.000 0.000 0.209 966 L C 2.241 179.148 176.870 0.063 0.000 1.083 966 L CA 1.386 56.292 54.840 0.110 0.000 0.752 966 L CB -0.061 42.046 42.059 0.080 0.000 0.899 966 L HN 0.319 nan 8.230 nan 0.000 0.433 967 E N -1.113 119.105 120.200 0.031 0.000 2.072 967 E HA -0.220 4.130 4.350 0.000 0.000 0.190 967 E C 2.181 178.738 176.600 -0.071 0.000 0.982 967 E CA 0.719 57.113 56.400 -0.010 0.000 0.803 967 E CB 0.173 29.866 29.700 -0.013 0.000 0.755 967 E HN 0.396 nan 8.360 nan 0.000 0.453 968 Q N -0.689 119.018 119.800 -0.154 0.000 2.137 968 Q HA -0.090 4.250 4.340 0.000 0.000 0.198 968 Q C 0.756 176.433 176.000 -0.538 0.000 0.960 968 Q CA 1.269 56.820 55.803 -0.420 0.000 0.847 968 Q CB 0.284 28.607 28.738 -0.692 0.000 0.915 968 Q HN 0.397 nan 8.270 nan 0.000 0.448 969 Y N -1.795 118.519 120.300 0.023 0.000 2.557 969 Y HA 0.310 4.860 4.550 -0.000 0.000 0.247 969 Y C 1.770 177.687 175.900 0.027 0.000 1.164 969 Y CA -0.035 58.064 58.100 -0.000 0.000 1.218 969 Y CB -0.042 38.382 38.460 -0.059 0.000 1.210 969 Y HN 0.042 nan 8.280 nan 0.000 0.529 970 G N 0.552 109.424 108.800 0.120 0.000 2.503 970 G HA2 -0.331 3.629 3.960 0.000 0.000 0.221 970 G HA3 -0.331 3.629 3.960 0.000 0.000 0.221 970 G C 1.622 176.575 174.900 0.088 0.000 1.131 970 G CA 2.015 47.173 45.100 0.096 0.000 0.756 970 G HN 0.436 nan 8.290 nan 0.000 0.572 971 T N -2.573 112.029 114.554 0.079 0.000 3.122 971 T HA 0.169 4.519 4.350 0.000 0.000 0.250 971 T C 0.679 175.433 174.700 0.090 0.000 1.067 971 T CA -0.174 61.967 62.100 0.068 0.000 0.966 971 T CB -0.178 68.717 68.868 0.044 0.000 1.002 971 T HN 0.329 nan 8.240 nan 0.000 0.542 972 N N 2.029 120.809 118.700 0.134 0.000 2.439 972 N HA 0.056 4.796 4.740 0.000 0.000 0.243 972 N C -0.574 175.053 175.510 0.196 0.000 1.088 972 N CA -0.222 52.919 53.050 0.153 0.000 0.940 972 N CB 0.549 39.142 38.487 0.177 0.000 1.180 972 N HN 0.477 nan 8.380 nan 0.000 0.505 973 E N 4.081 124.364 120.200 0.139 0.000 2.194 973 E HA 0.053 4.403 4.350 0.000 0.000 0.284 973 E C -1.339 175.355 176.600 0.156 0.000 1.035 973 E CA -0.559 55.905 56.400 0.108 0.000 0.836 973 E CB 0.486 30.210 29.700 0.041 0.000 1.070 973 E HN 0.550 nan 8.360 nan 0.000 0.401 974 Y N 1.335 121.632 120.300 -0.006 0.000 2.462 974 Y HA 0.501 5.051 4.550 0.000 0.000 0.346 974 Y C -0.387 175.508 175.900 -0.009 0.000 0.976 974 Y CA -1.382 56.705 58.100 -0.022 0.000 1.044 974 Y CB 1.105 39.534 38.460 -0.052 0.000 1.230 974 Y HN 0.270 nan 8.280 nan 0.000 0.455 975 S N 2.613 118.330 115.700 0.028 0.000 2.632 975 S HA 0.519 4.989 4.470 0.000 0.000 0.271 975 S C 0.539 175.147 174.600 0.013 0.000 1.260 975 S CA -0.197 57.983 58.200 -0.033 0.000 1.010 975 S CB 0.281 63.468 63.200 -0.022 0.000 0.965 975 S HN 0.915 nan 8.310 nan 0.000 0.534 976 I N 0.293 120.853 120.570 -0.017 0.000 4.607 976 I HA 0.522 4.692 4.170 0.000 0.000 0.324 976 I C -0.448 175.634 176.117 -0.059 0.000 1.279 976 I CA -0.212 61.087 61.300 -0.002 0.000 1.286 976 I CB 0.272 38.279 38.000 0.012 0.000 1.265 976 I HN 0.365 nan 8.210 nan 0.000 0.446 977 I N 1.168 121.714 120.570 -0.041 0.000 2.569 977 I HA 0.561 4.731 4.170 0.000 0.000 0.290 977 I C -0.773 175.331 176.117 -0.021 0.000 1.088 977 I CA -0.625 60.639 61.300 -0.061 0.000 1.047 977 I CB 2.149 40.126 38.000 -0.037 0.000 1.237 977 I HN 0.119 nan 8.210 nan 0.000 0.421 978 S N 2.440 117.995 115.700 -0.243 0.000 2.543 978 S HA 0.395 4.865 4.470 0.000 0.000 0.274 978 S C -0.104 174.069 174.600 -0.712 0.000 1.149 978 S CA -0.193 57.716 58.200 -0.484 0.000 0.866 978 S CB 1.758 64.795 63.200 -0.272 0.000 1.111 978 S HN 0.721 nan 8.310 nan 0.000 0.457 979 S N 2.701 117.782 115.700 -1.031 0.000 2.593 979 S HA 0.415 4.885 4.470 0.000 0.000 0.236 979 S C 0.095 174.405 174.600 -0.482 0.000 0.991 979 S CA -0.484 57.246 58.200 -0.783 0.000 0.963 979 S CB -0.429 62.131 63.200 -1.067 0.000 0.865 979 S HN 0.640 nan 8.310 nan 0.000 0.488 980 M N 2.686 122.049 119.600 -0.395 0.000 2.084 980 M HA 0.395 4.875 4.480 0.000 0.000 0.351 980 M C -0.046 176.155 176.300 -0.166 0.000 1.240 980 M CA -0.402 54.751 55.300 -0.246 0.000 1.083 980 M CB 0.971 33.448 32.600 -0.205 0.000 1.593 980 M HN -0.092 nan 8.290 nan 0.000 0.463 981 K N 4.590 124.914 120.400 -0.127 0.000 2.316 981 K HA 0.242 4.562 4.320 0.000 0.000 0.289 981 K C -0.562 176.011 176.600 -0.044 0.000 1.070 981 K CA 0.065 56.305 56.287 -0.078 0.000 0.928 981 K CB 0.506 32.968 32.500 -0.063 0.000 1.039 981 K HN 0.529 nan 8.250 nan 0.000 0.480 982 K N 2.099 122.501 120.400 0.004 0.000 2.123 982 K HA 0.187 4.508 4.320 0.000 0.000 0.248 982 K C -0.248 176.468 176.600 0.194 0.000 0.969 982 K CA -0.756 55.589 56.287 0.096 0.000 0.882 982 K CB 0.604 33.233 32.500 0.215 0.000 1.080 982 K HN 0.607 nan 8.250 nan 0.000 0.441 983 H N -1.470 117.573 119.070 -0.046 0.000 2.626 983 H HA -0.155 4.401 4.556 0.000 0.000 0.317 983 H C 0.034 175.342 175.328 -0.033 0.000 1.140 983 H CA 1.007 57.033 56.048 -0.036 0.000 1.134 983 H CB -1.062 28.680 29.762 -0.033 0.000 1.486 983 H HN 0.530 nan 8.280 nan 0.000 0.417 984 S N -1.767 113.950 115.700 0.028 0.000 3.121 984 S HA 0.520 4.990 4.470 0.000 0.000 0.324 984 S C 0.865 175.457 174.600 -0.014 0.000 1.192 984 S CA -0.340 57.867 58.200 0.012 0.000 0.937 984 S CB 0.399 63.605 63.200 0.009 0.000 1.336 984 S HN 0.050 nan 8.310 nan 0.000 0.664 985 L N 2.404 123.619 121.223 -0.014 0.000 2.005 985 L HA 0.130 4.471 4.340 0.000 0.000 0.207 985 L C 1.627 178.479 176.870 -0.030 0.000 1.072 985 L CA 1.719 56.547 54.840 -0.020 0.000 0.744 985 L CB -1.041 41.009 42.059 -0.015 0.000 0.895 985 L HN 0.702 nan 8.230 nan 0.000 0.433 986 S N 1.019 116.699 115.700 -0.034 0.000 2.589 986 S HA 0.275 4.745 4.470 0.000 0.000 0.265 986 S C 0.539 175.107 174.600 -0.054 0.000 1.342 986 S CA -0.845 57.329 58.200 -0.043 0.000 1.005 986 S CB 0.344 63.514 63.200 -0.050 0.000 0.909 986 S HN 0.188 nan 8.310 nan 0.000 0.555 987 I N -0.811 119.725 120.570 -0.058 0.000 3.418 987 I HA 0.481 4.651 4.170 0.000 0.000 0.279 987 I C 0.940 177.011 176.117 -0.077 0.000 1.143 987 I CA -0.594 60.666 61.300 -0.065 0.000 0.983 987 I CB -1.296 36.668 38.000 -0.059 0.000 1.558 987 I HN 0.832 nan 8.210 nan 0.000 0.766 988 G N 2.137 110.888 108.800 -0.082 0.000 2.305 988 G HA2 0.212 4.173 3.960 0.000 0.000 0.281 988 G HA3 0.212 4.173 3.960 0.000 0.000 0.281 988 G C 0.632 175.470 174.900 -0.104 0.000 1.085 988 G CA -0.095 44.949 45.100 -0.093 0.000 1.211 988 G HN 0.754 nan 8.290 nan 0.000 0.421 989 S N 2.464 118.092 115.700 -0.120 0.000 2.585 989 S HA 0.061 4.531 4.470 0.000 0.000 0.233 989 S C 2.217 176.724 174.600 -0.155 0.000 1.478 989 S CA 0.507 58.624 58.200 -0.140 0.000 1.761 989 S CB -0.555 62.546 63.200 -0.164 0.000 0.471 989 S HN 0.765 nan 8.310 nan 0.000 0.368 990 G N 0.880 109.556 108.800 -0.208 0.000 2.622 990 G HA2 0.123 4.083 3.960 0.000 0.000 0.206 990 G HA3 0.123 4.083 3.960 0.000 0.000 0.206 990 G C 0.188 175.018 174.900 -0.116 0.000 1.458 990 G CA 0.708 45.703 45.100 -0.175 0.000 0.919 990 G HN 0.722 nan 8.290 nan 0.000 0.508 991 W N -0.550 120.658 121.300 -0.152 0.000 2.929 991 W HA 0.711 5.371 4.660 0.000 0.000 0.345 991 W C -0.669 175.686 176.519 -0.273 0.000 1.151 991 W CA -0.560 56.590 57.345 -0.324 0.000 1.111 991 W CB 0.787 30.010 29.460 -0.394 0.000 1.449 991 W HN 0.676 nan 8.180 nan 0.000 0.572 992 S N -0.183 115.491 115.700 -0.043 0.000 2.547 992 S HA 0.637 5.107 4.470 0.000 0.000 0.270 992 S C -1.856 172.882 174.600 0.230 0.000 1.150 992 S CA -0.793 57.456 58.200 0.081 0.000 0.850 992 S CB 1.847 65.002 63.200 -0.075 0.000 1.118 992 S HN 0.480 nan 8.310 nan 0.000 0.461 993 V N 2.714 122.839 119.914 0.351 0.000 2.409 993 V HA 0.840 4.960 4.120 0.000 0.000 0.291 993 V C 0.039 176.218 176.094 0.141 0.000 1.020 993 V CA -0.117 62.409 62.300 0.377 0.000 0.848 993 V CB 1.060 33.148 31.823 0.441 0.000 0.990 993 V HN 1.201 nan 8.190 nan 0.000 0.430 994 S N 5.537 121.281 115.700 0.073 0.000 2.661 994 S HA 0.893 5.364 4.470 0.000 0.000 0.285 994 S C -1.170 173.328 174.600 -0.170 0.000 1.138 994 S CA -0.888 57.252 58.200 -0.100 0.000 0.855 994 S CB 2.058 65.205 63.200 -0.089 0.000 1.136 994 S HN 0.419 nan 8.310 nan 0.000 0.484 995 L N 0.709 121.648 121.223 -0.473 0.000 2.354 995 L HA 0.704 5.044 4.340 0.000 0.000 0.269 995 L C -0.572 176.100 176.870 -0.331 0.000 1.005 995 L CA -0.601 53.988 54.840 -0.418 0.000 0.819 995 L CB 2.237 43.962 42.059 -0.558 0.000 1.311 995 L HN 0.869 nan 8.230 nan 0.000 0.423 996 K N 1.772 122.120 120.400 -0.086 0.000 2.731 996 K HA 0.506 4.826 4.320 0.000 0.000 0.257 996 K C 0.138 176.770 176.600 0.053 0.000 1.032 996 K CA 0.286 56.587 56.287 0.024 0.000 0.983 996 K CB 1.277 33.788 32.500 0.018 0.000 1.248 996 K HN 0.767 nan 8.250 nan 0.000 0.484 997 G N 3.735 112.598 108.800 0.104 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 0.055 174.990 174.900 0.059 0.000 1.195 997 G CA 0.414 45.565 45.100 0.086 0.000 0.989 997 G HN 0.744 nan 8.290 nan 0.000 0.551 998 N N 2.146 120.863 118.700 0.028 0.000 2.451 998 N HA 0.239 4.979 4.740 0.000 0.000 0.264 998 N C -0.666 174.835 175.510 -0.015 0.000 1.167 998 N CA -0.290 52.767 53.050 0.012 0.000 0.898 998 N CB 0.044 38.527 38.487 -0.006 0.000 1.176 998 N HN 0.341 nan 8.380 nan 0.000 0.507 999 N N 1.159 119.860 118.700 0.002 0.000 2.284 999 N HA 0.269 5.010 4.740 0.000 0.000 0.300 999 N C -1.332 174.220 175.510 0.069 0.000 1.047 999 N CA -0.544 52.507 53.050 0.001 0.000 0.821 999 N CB 2.499 40.980 38.487 -0.009 0.000 1.337 999 N HN 0.036 nan 8.380 nan 0.000 0.482 1000 L N 2.585 123.913 121.223 0.175 0.000 2.295 1000 L HA 0.609 4.949 4.340 0.000 0.000 0.285 1000 L C -0.842 176.140 176.870 0.186 0.000 1.035 1000 L CA -0.337 54.620 54.840 0.195 0.000 0.806 1000 L CB 0.583 42.806 42.059 0.274 0.000 1.214 1000 L HN 0.466 nan 8.230 nan 0.000 0.426 1001 I N 4.768 125.431 120.570 0.155 0.000 2.498 1001 I HA 0.296 4.466 4.170 0.000 0.000 0.290 1001 I C -1.294 174.990 176.117 0.278 0.000 1.032 1001 I CA -0.546 60.858 61.300 0.173 0.000 1.073 1001 I CB 1.912 39.965 38.000 0.089 0.000 1.251 1001 I HN 0.670 nan 8.210 nan 0.000 0.426 1002 W N 6.662 128.004 121.300 0.070 0.000 2.475 1002 W HA 0.538 5.199 4.660 0.000 0.000 0.317 1002 W C -1.470 175.107 176.519 0.097 0.000 1.046 1002 W CA -0.398 57.003 57.345 0.094 0.000 1.215 1002 W CB 1.978 31.467 29.460 0.049 0.000 1.335 1002 W HN 0.399 nan 8.180 nan 0.000 0.471 1003 T N 6.799 121.085 114.554 -0.446 0.000 2.841 1003 T HA 0.553 4.903 4.350 0.000 0.000 0.283 1003 T C -0.565 173.790 174.700 -0.575 0.000 1.000 1003 T CA -0.544 61.328 62.100 -0.381 0.000 0.977 1003 T CB 1.801 70.560 68.868 -0.181 0.000 0.979 1003 T HN 0.306 nan 8.240 nan 0.000 0.446 1004 L N 2.837 123.863 121.223 -0.327 0.000 2.381 1004 L HA 0.635 4.975 4.340 0.000 0.000 0.274 1004 L C -0.308 176.507 176.870 -0.092 0.000 0.988 1004 L CA -0.803 53.933 54.840 -0.174 0.000 0.824 1004 L CB 2.068 44.105 42.059 -0.037 0.000 1.263 1004 L HN 0.444 nan 8.230 nan 0.000 0.410 1005 K N 2.318 122.672 120.400 -0.078 0.000 2.471 1005 K HA 0.349 4.669 4.320 0.000 0.000 0.252 1005 K C -1.264 175.292 176.600 -0.074 0.000 0.938 1005 K CA -0.667 55.575 56.287 -0.074 0.000 0.796 1005 K CB 1.984 34.431 32.500 -0.088 0.000 1.161 1005 K HN 0.619 nan 8.250 nan 0.000 0.425 1006 D N 1.494 121.850 120.400 -0.074 0.000 2.466 1006 D HA 0.058 4.698 4.640 0.000 0.000 0.262 1006 D C 0.978 177.231 176.300 -0.080 0.000 1.177 1006 D CA -0.358 53.587 54.000 -0.092 0.000 1.035 1006 D CB 0.906 41.641 40.800 -0.109 0.000 1.105 1006 D HN 0.410 nan 8.370 nan 0.000 0.551 1007 S N -0.929 114.723 115.700 -0.081 0.000 2.400 1007 S HA -0.197 4.274 4.470 0.000 0.000 0.232 1007 S C 1.866 176.439 174.600 -0.046 0.000 1.025 1007 S CA 0.862 59.025 58.200 -0.062 0.000 0.993 1007 S CB -0.890 62.279 63.200 -0.052 0.000 0.808 1007 S HN 0.670 nan 8.310 nan 0.000 0.478 1008 A N 0.710 123.506 122.820 -0.039 0.000 2.169 1008 A HA 0.553 4.873 4.320 0.000 0.000 0.212 1008 A C 1.818 179.382 177.584 -0.032 0.000 1.153 1008 A CA 0.688 52.709 52.037 -0.027 0.000 0.756 1008 A CB -0.903 18.089 19.000 -0.014 0.000 0.813 1008 A HN 1.536 nan 8.150 nan 0.000 0.471 1009 G N -1.143 107.632 108.800 -0.043 0.000 2.179 1009 G HA2 -0.166 3.795 3.960 0.000 0.000 0.220 1009 G HA3 -0.166 3.795 3.960 0.000 0.000 0.220 1009 G C -0.123 174.753 174.900 -0.040 0.000 0.990 1009 G CA 0.119 45.192 45.100 -0.045 0.000 0.646 1009 G HN 0.401 nan 8.290 nan 0.000 0.517 1010 E N 0.348 120.527 120.200 -0.035 0.000 2.373 1010 E HA 0.471 4.822 4.350 0.000 0.000 0.267 1010 E C 0.578 177.158 176.600 -0.034 0.000 1.032 1010 E CA 0.414 56.798 56.400 -0.027 0.000 0.889 1010 E CB 1.936 31.624 29.700 -0.019 0.000 0.984 1010 E HN 1.077 nan 8.360 nan 0.000 0.425 1011 V N 1.099 120.997 119.914 -0.028 0.000 2.876 1011 V HA 0.703 4.823 4.120 0.000 0.000 0.312 1011 V C -0.613 175.470 176.094 -0.017 0.000 1.085 1011 V CA -1.012 61.268 62.300 -0.033 0.000 0.945 1011 V CB 2.366 34.164 31.823 -0.042 0.000 1.017 1011 V HN 0.444 nan 8.190 nan 0.000 0.428 1012 R N 2.751 123.241 120.500 -0.017 0.000 2.750 1012 R HA 0.688 5.028 4.340 0.000 0.000 0.281 1012 R C -1.118 175.186 176.300 0.006 0.000 0.972 1012 R CA -0.536 55.570 56.100 0.010 0.000 0.912 1012 R CB 2.275 32.596 30.300 0.035 0.000 1.187 1012 R HN 0.972 nan 8.270 nan 0.000 0.464 1013 Q N 1.457 121.280 119.800 0.038 0.000 2.416 1013 Q HA 0.563 4.903 4.340 0.000 0.000 0.281 1013 Q C -0.864 175.201 176.000 0.108 0.000 1.067 1013 Q CA -0.757 55.082 55.803 0.060 0.000 0.809 1013 Q CB 3.193 31.951 28.738 0.034 0.000 1.418 1013 Q HN 0.464 nan 8.270 nan 0.000 0.411 1014 I N 1.272 121.943 120.570 0.169 0.000 2.406 1014 I HA 0.380 4.550 4.170 0.000 0.000 0.290 1014 I C -0.681 175.525 176.117 0.149 0.000 0.999 1014 I CA -0.467 60.926 61.300 0.156 0.000 1.124 1014 I CB 2.218 40.327 38.000 0.182 0.000 1.289 1014 I HN 0.442 nan 8.210 nan 0.000 0.441 1015 T N 6.380 121.002 114.554 0.114 0.000 2.833 1015 T HA 0.337 4.687 4.350 0.000 0.000 0.297 1015 T C -0.705 174.073 174.700 0.130 0.000 1.015 1015 T CA -0.316 61.847 62.100 0.107 0.000 0.963 1015 T CB 0.533 69.434 68.868 0.055 0.000 0.955 1015 T HN 0.253 nan 8.240 nan 0.000 0.449 1016 F N 4.480 124.434 119.950 0.006 0.000 2.410 1016 F HA 0.522 5.049 4.527 0.000 0.000 0.349 1016 F C 0.178 175.983 175.800 0.009 0.000 1.117 1016 F CA -1.246 56.747 58.000 -0.012 0.000 1.104 1016 F CB 0.695 39.671 39.000 -0.041 0.000 1.122 1016 F HN 0.280 nan 8.300 nan 0.000 0.483 1017 R N 4.743 124.757 120.500 -0.810 0.000 2.229 1017 R HA 0.158 4.498 4.340 0.000 0.000 0.332 1017 R C -0.683 174.995 176.300 -1.037 0.000 0.989 1017 R CA -0.820 54.889 56.100 -0.652 0.000 0.842 1017 R CB 0.934 31.041 30.300 -0.321 0.000 1.119 1017 R HN 0.677 nan 8.270 nan 0.000 0.456 1018 D N 1.999 121.993 120.400 -0.678 0.000 2.362 1018 D HA 0.051 4.691 4.640 0.000 0.000 0.238 1018 D C 0.172 176.374 176.300 -0.162 0.000 1.212 1018 D CA -0.047 53.749 54.000 -0.341 0.000 0.902 1018 D CB 0.820 41.611 40.800 -0.014 0.000 1.180 1018 D HN 0.254 nan 8.370 nan 0.000 0.445 1019 L N 2.718 123.941 121.223 0.000 0.000 2.439 1019 L HA 0.156 4.496 4.340 0.000 0.000 0.269 1019 L C -1.308 175.528 176.870 -0.057 0.000 1.179 1019 L CA -1.253 53.582 54.840 -0.009 0.000 0.828 1019 L CB 0.456 42.524 42.059 0.015 0.000 1.106 1019 L HN 0.452 nan 8.230 nan 0.000 0.467 1020 P HA -0.120 nan 4.420 nan 0.000 0.216 1020 P C -0.020 177.062 177.300 -0.364 0.000 1.153 1020 P CA 0.921 63.946 63.100 -0.125 0.000 0.844 1020 P CB 0.128 31.822 31.700 -0.011 0.000 0.787 1021 D N 0.249 120.344 120.400 -0.510 0.000 2.383 1021 D HA -0.019 4.622 4.640 0.000 0.000 0.245 1021 D C 0.900 177.138 176.300 -0.104 0.000 1.263 1021 D CA 0.034 53.680 54.000 -0.590 0.000 0.936 1021 D CB 0.297 40.872 40.800 -0.375 0.000 1.053 1021 D HN -0.171 nan 8.370 nan 0.000 0.507 1022 K N 3.084 123.500 120.400 0.026 0.000 2.360 1022 K HA -0.152 4.168 4.320 0.000 0.000 0.201 1022 K C 1.577 178.369 176.600 0.321 0.000 1.046 1022 K CA 0.300 56.638 56.287 0.085 0.000 0.945 1022 K CB -0.349 32.050 32.500 -0.168 0.000 0.750 1022 K HN 0.469 nan 8.250 nan 0.000 0.464 1023 F N 2.298 122.434 119.950 0.310 0.000 2.216 1023 F HA -0.123 4.404 4.527 0.000 0.000 0.300 1023 F C 1.090 176.997 175.800 0.178 0.000 1.085 1023 F CA 1.233 59.434 58.000 0.335 0.000 1.326 1023 F CB 0.178 39.327 39.000 0.248 0.000 1.027 1023 F HN 0.060 nan 8.300 nan 0.000 0.497 1024 N N 0.029 118.811 118.700 0.137 0.000 2.200 1024 N HA 0.252 4.992 4.740 0.000 0.000 0.224 1024 N C 0.078 175.444 175.510 -0.240 0.000 1.179 1024 N CA 0.422 53.440 53.050 -0.053 0.000 0.877 1024 N CB 0.353 38.870 38.487 0.051 0.000 1.072 1024 N HN 0.127 nan 8.380 nan 0.000 0.519 1025 A N -0.060 122.668 122.820 -0.153 0.000 2.332 1025 A HA 0.294 4.614 4.320 0.000 0.000 0.258 1025 A C 0.330 177.773 177.584 -0.236 0.000 1.087 1025 A CA -0.077 51.845 52.037 -0.192 0.000 0.802 1025 A CB 0.254 19.236 19.000 -0.030 0.000 1.042 1025 A HN 0.197 nan 8.150 nan 0.000 0.489 1026 Y N -0.050 120.334 120.300 0.140 0.000 2.510 1026 Y HA 0.203 4.753 4.550 0.000 0.000 0.273 1026 Y C 0.787 176.766 175.900 0.132 0.000 1.119 1026 Y CA 0.501 58.679 58.100 0.131 0.000 1.286 1026 Y CB 0.116 38.650 38.460 0.124 0.000 1.061 1026 Y HN 0.382 nan 8.280 nan 0.000 0.542 1027 L N 0.100 121.469 121.223 0.243 0.000 3.030 1027 L HA 0.531 4.871 4.340 0.000 0.000 0.252 1027 L C 0.336 177.257 176.870 0.085 0.000 1.316 1027 L CA -0.259 54.679 54.840 0.164 0.000 0.975 1027 L CB 0.280 42.435 42.059 0.160 0.000 1.357 1027 L HN 0.013 nan 8.230 nan 0.000 0.534 1028 A N 0.312 123.192 122.820 0.100 0.000 3.129 1028 A HA 0.287 4.607 4.320 0.000 0.000 0.282 1028 A C 0.791 178.514 177.584 0.231 0.000 0.948 1028 A CA -0.274 51.824 52.037 0.101 0.000 1.027 1028 A CB -0.126 18.941 19.000 0.111 0.000 1.123 1028 A HN 0.639 nan 8.150 nan 0.000 0.485 1029 N N -0.763 118.002 118.700 0.108 0.000 2.984 1029 N HA -0.136 4.604 4.740 0.000 0.000 0.227 1029 N C -0.281 175.320 175.510 0.151 0.000 0.903 1029 N CA 1.071 54.134 53.050 0.021 0.000 0.995 1029 N CB -0.583 37.812 38.487 -0.153 0.000 1.065 1029 N HN 0.651 nan 8.380 nan 0.000 0.585 1030 K N -0.082 120.448 120.400 0.216 0.000 2.156 1030 K HA 0.230 4.550 4.320 0.000 0.000 0.250 1030 K C -0.812 175.941 176.600 0.255 0.000 0.955 1030 K CA -0.511 55.934 56.287 0.264 0.000 0.855 1030 K CB 0.876 33.514 32.500 0.229 0.000 1.101 1030 K HN 0.072 nan 8.250 nan 0.000 0.434 1031 W N 2.819 124.327 121.300 0.347 0.000 2.446 1031 W HA 0.163 4.823 4.660 0.000 0.000 0.316 1031 W C 0.100 177.017 176.519 0.663 0.000 1.376 1031 W CA -0.497 57.106 57.345 0.430 0.000 1.300 1031 W CB 0.675 30.284 29.460 0.250 0.000 1.351 1031 W HN 0.196 nan 8.180 nan 0.000 0.530 1032 V N 2.449 122.880 119.914 0.862 0.000 2.823 1032 V HA 0.529 4.650 4.120 0.000 0.000 0.312 1032 V C -1.065 175.152 176.094 0.204 0.000 1.072 1032 V CA -1.470 61.158 62.300 0.546 0.000 0.937 1032 V CB 1.713 33.736 31.823 0.333 0.000 1.013 1032 V HN 0.281 nan 8.190 nan 0.000 0.430 1033 F N 5.204 124.796 119.950 -0.596 0.000 2.411 1033 F HA 0.715 5.242 4.527 0.000 0.000 0.355 1033 F C -0.220 175.090 175.800 -0.816 0.000 1.117 1033 F CA -1.416 55.892 58.000 -1.153 0.000 1.139 1033 F CB 0.779 38.835 39.000 -1.573 0.000 1.120 1033 F HN 0.382 nan 8.300 nan 0.000 0.493 1034 I N 4.864 124.635 120.570 -1.331 0.000 2.437 1034 I HA 0.421 4.591 4.170 0.000 0.000 0.298 1034 I C -0.204 175.053 176.117 -1.434 0.000 0.984 1034 I CA -0.468 60.074 61.300 -1.264 0.000 1.214 1034 I CB 1.522 38.693 38.000 -1.381 0.000 1.365 1034 I HN 0.489 nan 8.210 nan 0.000 0.469 1035 T N 6.524 120.500 114.554 -0.965 0.000 3.071 1035 T HA 0.618 4.968 4.350 0.000 0.000 0.311 1035 T C -0.454 173.911 174.700 -0.559 0.000 1.042 1035 T CA -0.309 61.324 62.100 -0.778 0.000 1.028 1035 T CB 1.691 70.125 68.868 -0.724 0.000 1.068 1035 T HN 0.265 nan 8.240 nan 0.000 0.451 1036 I N 3.185 123.379 120.570 -0.626 0.000 2.439 1036 I HA 0.415 4.586 4.170 0.000 0.000 0.285 1036 I C 0.532 176.236 176.117 -0.689 0.000 1.021 1036 I CA -0.677 60.176 61.300 -0.745 0.000 1.091 1036 I CB 1.980 39.177 38.000 -1.339 0.000 1.242 1036 I HN 0.666 nan 8.210 nan 0.000 0.439 1037 T N 1.825 116.095 114.554 -0.473 0.000 2.867 1037 T HA 0.512 4.862 4.350 0.000 0.000 0.282 1037 T C -0.323 174.139 174.700 -0.398 0.000 1.000 1037 T CA -0.865 60.988 62.100 -0.412 0.000 1.042 1037 T CB 1.281 69.987 68.868 -0.270 0.000 0.973 1037 T HN 0.426 nan 8.240 nan 0.000 0.465 1038 N N 2.730 121.167 118.700 -0.438 0.000 2.491 1038 N HA 0.226 4.966 4.740 0.000 0.000 0.274 1038 N C -1.757 173.676 175.510 -0.129 0.000 1.023 1038 N CA -0.480 52.374 53.050 -0.326 0.000 0.902 1038 N CB 1.979 40.078 38.487 -0.646 0.000 1.267 1038 N HN 0.746 nan 8.380 nan 0.000 0.503 1039 D N 2.139 122.515 120.400 -0.041 0.000 2.427 1039 D HA 0.196 4.836 4.640 0.000 0.000 0.226 1039 D C 0.953 177.297 176.300 0.073 0.000 1.076 1039 D CA -0.352 53.661 54.000 0.022 0.000 0.849 1039 D CB 0.886 41.691 40.800 0.008 0.000 1.052 1039 D HN 0.171 nan 8.370 nan 0.000 0.515 1040 R N 2.937 123.514 120.500 0.129 0.000 2.249 1040 R HA -0.026 4.314 4.340 0.000 0.000 0.230 1040 R C 1.389 177.803 176.300 0.191 0.000 1.121 1040 R CA 0.470 56.680 56.100 0.184 0.000 0.997 1040 R CB -0.194 30.274 30.300 0.279 0.000 0.867 1040 R HN 0.567 nan 8.270 nan 0.000 0.465 1041 L N 0.127 121.429 121.223 0.131 0.000 2.607 1041 L HA 0.051 4.391 4.340 0.000 0.000 0.228 1041 L C 1.301 178.213 176.870 0.069 0.000 1.123 1041 L CA 0.310 55.210 54.840 0.100 0.000 0.890 1041 L CB 0.063 42.163 42.059 0.068 0.000 1.103 1041 L HN 0.212 nan 8.230 nan 0.000 0.468 1042 S N -1.915 113.822 115.700 0.062 0.000 4.167 1042 S HA 0.352 4.822 4.470 0.000 0.000 0.168 1042 S C 0.275 174.897 174.600 0.038 0.000 1.032 1042 S CA 0.228 58.452 58.200 0.041 0.000 1.146 1042 S CB 0.664 63.878 63.200 0.023 0.000 1.888 1042 S HN 0.146 nan 8.310 nan 0.000 0.844 1043 S N 0.350 116.064 115.700 0.022 0.000 2.661 1043 S HA 0.876 5.346 4.470 0.000 0.000 0.285 1043 S C -0.821 173.780 174.600 0.001 0.000 1.138 1043 S CA -0.524 57.687 58.200 0.017 0.000 0.855 1043 S CB 1.275 64.477 63.200 0.003 0.000 1.136 1043 S HN 1.381 nan 8.310 nan 0.000 0.484 1044 A N 1.426 124.253 122.820 0.012 0.000 2.292 1044 A HA 0.734 5.054 4.320 0.000 0.000 0.319 1044 A C -0.554 176.980 177.584 -0.083 0.000 1.206 1044 A CA -0.781 51.244 52.037 -0.021 0.000 0.835 1044 A CB 0.106 19.183 19.000 0.128 0.000 1.164 1044 A HN 0.715 nan 8.150 nan 0.000 0.505 1045 N N 1.406 120.014 118.700 -0.154 0.000 2.314 1045 N HA 0.439 5.179 4.740 0.000 0.000 0.294 1045 N C -1.580 173.762 175.510 -0.279 0.000 1.029 1045 N CA -0.449 52.481 53.050 -0.200 0.000 0.845 1045 N CB 2.222 40.646 38.487 -0.106 0.000 1.321 1045 N HN 0.548 nan 8.380 nan 0.000 0.481 1046 L N 3.091 124.077 121.223 -0.396 0.000 2.287 1046 L HA 0.495 4.835 4.340 0.000 0.000 0.287 1046 L C -1.516 175.005 176.870 -0.581 0.000 1.022 1046 L CA -0.365 54.223 54.840 -0.420 0.000 0.814 1046 L CB 0.179 42.027 42.059 -0.350 0.000 1.217 1046 L HN 0.367 nan 8.230 nan 0.000 0.420 1047 Y N 5.149 125.137 120.300 -0.521 0.000 2.468 1047 Y HA 0.707 5.257 4.550 0.000 0.000 0.342 1047 Y C -0.188 175.310 175.900 -0.669 0.000 1.021 1047 Y CA -0.828 56.952 58.100 -0.533 0.000 1.079 1047 Y CB 1.809 39.988 38.460 -0.467 0.000 1.226 1047 Y HN 0.382 nan 8.280 nan 0.000 0.460 1048 I N 2.217 122.454 120.570 -0.555 0.000 2.534 1048 I HA 0.214 4.384 4.170 0.000 0.000 0.288 1048 I C -0.708 175.033 176.117 -0.627 0.000 1.077 1048 I CA -1.002 59.880 61.300 -0.696 0.000 1.051 1048 I CB 1.792 39.201 38.000 -0.985 0.000 1.234 1048 I HN 0.662 nan 8.210 nan 0.000 0.425 1049 N N 4.473 122.753 118.700 -0.700 0.000 2.716 1049 N HA -0.207 4.534 4.740 0.000 0.000 0.250 1049 N C 0.929 175.891 175.510 -0.913 0.000 1.033 1049 N CA 1.526 53.931 53.050 -1.076 0.000 0.727 1049 N CB -0.916 37.329 38.487 -0.404 0.000 0.950 1049 N HN 1.175 nan 8.380 nan 0.000 0.541 1050 G N -3.193 105.236 108.800 -0.618 0.000 2.168 1050 G HA2 -0.308 3.652 3.960 0.000 0.000 0.263 1050 G HA3 -0.308 3.652 3.960 0.000 0.000 0.263 1050 G C 0.003 174.880 174.900 -0.038 0.000 0.977 1050 G CA 0.484 45.458 45.100 -0.210 0.000 0.659 1050 G HN 0.537 nan 8.290 nan 0.000 0.533 1051 V N 0.989 120.828 119.914 -0.124 0.000 2.555 1051 V HA 0.648 4.768 4.120 0.000 0.000 0.302 1051 V C 0.511 176.438 176.094 -0.279 0.000 1.038 1051 V CA -1.020 61.213 62.300 -0.112 0.000 0.887 1051 V CB 1.800 33.541 31.823 -0.137 0.000 0.991 1051 V HN 0.412 nan 8.190 nan 0.000 0.434 1052 L N 5.884 126.880 121.223 -0.379 0.000 2.534 1052 L HA 0.199 4.539 4.340 0.000 0.000 0.271 1052 L C 0.698 177.292 176.870 -0.459 0.000 1.178 1052 L CA 1.035 55.453 54.840 -0.703 0.000 0.907 1052 L CB 0.468 42.175 42.059 -0.587 0.000 1.164 1052 L HN 0.619 nan 8.230 nan 0.000 0.482 1053 M N 3.946 123.238 119.600 -0.514 0.000 2.304 1053 M HA 0.467 4.947 4.480 0.000 0.000 0.281 1053 M C 0.613 176.815 176.300 -0.163 0.000 1.014 1053 M CA 0.205 55.292 55.300 -0.355 0.000 1.054 1053 M CB 0.020 32.160 32.600 -0.767 0.000 1.551 1053 M HN 0.627 nan 8.290 nan 0.000 0.548 1054 G N -0.415 108.237 108.800 -0.248 0.000 2.632 1054 G HA2 0.540 4.500 3.960 0.000 0.000 0.292 1054 G HA3 0.540 4.500 3.960 0.000 0.000 0.292 1054 G C -1.722 173.079 174.900 -0.165 0.000 1.465 1054 G CA -0.290 44.742 45.100 -0.114 0.000 0.824 1054 G HN 0.009 nan 8.290 nan 0.000 0.509 1055 S N -1.390 114.259 115.700 -0.084 0.000 2.565 1055 S HA 0.931 5.401 4.470 0.000 0.000 0.269 1055 S C -1.224 173.368 174.600 -0.013 0.000 1.153 1055 S CA 0.340 58.495 58.200 -0.076 0.000 0.835 1055 S CB 1.617 64.759 63.200 -0.097 0.000 1.122 1055 S HN 2.387 nan 8.310 nan 0.000 0.462 1056 A N 2.452 125.276 122.820 0.007 0.000 2.532 1056 A HA 0.656 4.976 4.320 0.000 0.000 0.296 1056 A C -1.566 176.040 177.584 0.037 0.000 1.058 1056 A CA -0.711 51.346 52.037 0.033 0.000 0.729 1056 A CB 1.088 20.128 19.000 0.067 0.000 1.285 1056 A HN 0.669 nan 8.150 nan 0.000 0.396 1057 E N 1.089 121.307 120.200 0.031 0.000 2.384 1057 E HA 0.374 4.724 4.350 0.000 0.000 0.266 1057 E C 0.870 177.499 176.600 0.049 0.000 1.012 1057 E CA 0.342 56.763 56.400 0.035 0.000 0.901 1057 E CB 0.510 30.227 29.700 0.029 0.000 0.967 1057 E HN 0.621 nan 8.360 nan 0.000 0.435 1058 I N -1.657 118.948 120.570 0.058 0.000 4.240 1058 I HA 0.170 4.340 4.170 0.000 0.000 0.331 1058 I C 0.218 176.379 176.117 0.073 0.000 1.381 1058 I CA -0.586 60.754 61.300 0.066 0.000 1.136 1058 I CB 0.208 38.258 38.000 0.083 0.000 1.137 1058 I HN 0.291 nan 8.210 nan 0.000 0.411 1059 T N -0.544 114.057 114.554 0.078 0.000 2.906 1059 T HA 0.384 4.734 4.350 0.000 0.000 0.320 1059 T C 1.345 176.104 174.700 0.099 0.000 1.088 1059 T CA 0.569 62.731 62.100 0.103 0.000 1.120 1059 T CB 1.104 70.021 68.868 0.081 0.000 1.000 1059 T HN 0.827 nan 8.240 nan 0.000 0.550 1060 G N 1.241 110.126 108.800 0.141 0.000 2.241 1060 G HA2 -0.219 3.741 3.960 0.000 0.000 0.244 1060 G HA3 -0.219 3.741 3.960 0.000 0.000 0.244 1060 G C 0.068 175.036 174.900 0.113 0.000 0.998 1060 G CA 0.017 45.190 45.100 0.122 0.000 0.621 1060 G HN 0.859 nan 8.290 nan 0.000 0.519 1061 L N 1.435 122.704 121.223 0.076 0.000 2.426 1061 L HA 0.530 4.870 4.340 0.000 0.000 0.271 1061 L C 1.703 178.498 176.870 -0.126 0.000 1.169 1061 L CA 0.301 55.126 54.840 -0.025 0.000 0.836 1061 L CB 0.848 42.867 42.059 -0.067 0.000 1.112 1061 L HN 0.301 nan 8.230 nan 0.000 0.465 1062 G N 1.619 110.331 108.800 -0.146 0.000 2.666 1062 G HA2 0.495 4.456 3.960 0.000 0.000 0.207 1062 G HA3 0.495 4.456 3.960 0.000 0.000 0.207 1062 G C -0.415 174.139 174.900 -0.577 0.000 1.481 1062 G CA -0.103 44.883 45.100 -0.190 0.000 1.071 1062 G HN 0.765 nan 8.290 nan 0.000 0.572 1063 A N -0.898 121.750 122.820 -0.286 0.000 2.388 1063 A HA 0.567 4.887 4.320 0.000 0.000 0.257 1063 A C -0.113 177.351 177.584 -0.200 0.000 1.095 1063 A CA -0.253 51.629 52.037 -0.258 0.000 0.791 1063 A CB 0.044 19.018 19.000 -0.043 0.000 1.029 1063 A HN 0.435 nan 8.150 nan 0.000 0.489 1064 I N 2.608 123.058 120.570 -0.201 0.000 2.321 1064 I HA 0.327 4.497 4.170 0.000 0.000 0.291 1064 I C 0.512 176.537 176.117 -0.154 0.000 0.998 1064 I CA -0.371 60.833 61.300 -0.161 0.000 1.227 1064 I CB 1.046 38.953 38.000 -0.154 0.000 1.368 1064 I HN 0.505 nan 8.210 nan 0.000 0.466 1065 R N 7.388 127.810 120.500 -0.130 0.000 2.477 1065 R HA 0.217 4.557 4.340 0.000 0.000 0.285 1065 R C -0.268 175.954 176.300 -0.130 0.000 1.415 1065 R CA -0.385 55.643 56.100 -0.120 0.000 1.446 1065 R CB 0.541 30.790 30.300 -0.085 0.000 1.110 1065 R HN 0.781 nan 8.270 nan 0.000 0.590 1066 E N 0.340 120.441 120.200 -0.165 0.000 2.385 1066 E HA 0.111 4.462 4.350 0.000 0.000 0.254 1066 E C -0.712 175.799 176.600 -0.149 0.000 1.228 1066 E CA -0.687 55.603 56.400 -0.183 0.000 0.956 1066 E CB 0.823 30.377 29.700 -0.244 0.000 1.116 1066 E HN 0.140 nan 8.360 nan 0.000 0.507 1067 D N -0.311 119.995 120.400 -0.157 0.000 2.372 1067 D HA -0.030 4.610 4.640 0.000 0.000 0.243 1067 D C 0.793 177.034 176.300 -0.098 0.000 1.121 1067 D CA -0.310 53.624 54.000 -0.111 0.000 0.898 1067 D CB 0.641 41.372 40.800 -0.115 0.000 1.202 1067 D HN 0.485 nan 8.370 nan 0.000 0.428 1068 N N 1.960 120.619 118.700 -0.068 0.000 2.571 1068 N HA -0.108 4.632 4.740 0.000 0.000 0.189 1068 N C -0.550 174.899 175.510 -0.101 0.000 1.154 1068 N CA 0.158 53.145 53.050 -0.105 0.000 0.907 1068 N CB -0.230 38.176 38.487 -0.134 0.000 0.977 1068 N HN 0.201 nan 8.380 nan 0.000 0.449 1069 N N 1.004 119.682 118.700 -0.036 0.000 2.362 1069 N HA 0.327 5.067 4.740 0.000 0.000 0.298 1069 N C -0.734 174.738 175.510 -0.063 0.000 1.048 1069 N CA -0.463 52.587 53.050 0.001 0.000 0.858 1069 N CB 1.721 40.234 38.487 0.045 0.000 1.218 1069 N HN -0.015 nan 8.380 nan 0.000 0.488 1070 I N 2.078 122.629 120.570 -0.032 0.000 2.307 1070 I HA 0.215 4.385 4.170 0.000 0.000 0.289 1070 I C 0.203 176.243 176.117 -0.129 0.000 1.021 1070 I CA -0.261 60.987 61.300 -0.087 0.000 1.224 1070 I CB 0.464 38.507 38.000 0.073 0.000 1.376 1070 I HN 0.212 nan 8.210 nan 0.000 0.470 1071 T N 7.175 121.612 114.554 -0.195 0.000 2.749 1071 T HA 0.458 4.808 4.350 0.000 0.000 0.287 1071 T C 0.206 174.780 174.700 -0.209 0.000 0.970 1071 T CA -0.501 61.489 62.100 -0.182 0.000 0.980 1071 T CB 1.341 70.106 68.868 -0.173 0.000 0.924 1071 T HN 0.199 nan 8.240 nan 0.000 0.456 1072 L N 4.791 125.894 121.223 -0.201 0.000 2.272 1072 L HA 0.592 4.932 4.340 0.000 0.000 0.284 1072 L C 0.129 176.911 176.870 -0.146 0.000 1.045 1072 L CA -0.180 54.542 54.840 -0.196 0.000 0.842 1072 L CB 0.387 42.327 42.059 -0.198 0.000 1.224 1072 L HN 0.711 nan 8.230 nan 0.000 0.430 1073 K N 3.601 123.929 120.400 -0.121 0.000 2.639 1073 K HA 0.362 4.682 4.320 0.000 0.000 0.279 1073 K C -1.728 174.842 176.600 -0.050 0.000 0.976 1073 K CA -0.789 55.436 56.287 -0.103 0.000 0.861 1073 K CB 1.752 34.160 32.500 -0.153 0.000 1.436 1073 K HN 0.379 nan 8.250 nan 0.000 0.400 1074 L N 3.260 124.465 121.223 -0.030 0.000 2.342 1074 L HA 0.229 4.569 4.340 0.000 0.000 0.285 1074 L C -0.378 176.491 176.870 -0.002 0.000 1.095 1074 L CA -0.308 54.554 54.840 0.037 0.000 0.843 1074 L CB 0.400 42.443 42.059 -0.027 0.000 1.201 1074 L HN 0.591 nan 8.230 nan 0.000 0.445 1075 D N 4.930 125.356 120.400 0.044 0.000 2.303 1075 D HA 0.279 4.919 4.640 0.000 0.000 0.236 1075 D C 0.268 176.593 176.300 0.041 0.000 1.068 1075 D CA -0.319 53.682 54.000 0.001 0.000 0.830 1075 D CB 0.665 41.451 40.800 -0.024 0.000 1.109 1075 D HN 0.307 nan 8.370 nan 0.000 0.496 1076 R N 1.873 122.367 120.500 -0.011 0.000 3.654 1076 R HA -0.163 4.177 4.340 0.000 0.000 0.302 1076 R C -0.875 175.417 176.300 -0.012 0.000 1.166 1076 R CA 0.274 56.373 56.100 -0.001 0.000 0.810 1076 R CB -2.835 27.490 30.300 0.041 0.000 1.323 1076 R HN 0.481 nan 8.270 nan 0.000 0.478 1077 C N 1.559 120.785 119.300 -0.124 0.000 2.265 1077 C HA 0.352 4.812 4.460 0.000 0.000 0.332 1077 C C 1.571 176.359 174.990 -0.336 0.000 1.248 1077 C CA -0.726 58.080 59.018 -0.353 0.000 1.727 1077 C CB 0.134 27.422 27.740 -0.753 0.000 2.348 1077 C HN 0.361 nan 8.230 nan 0.000 0.519 1078 N N 3.240 121.757 118.700 -0.305 0.000 2.494 1078 N HA -0.043 4.697 4.740 0.000 0.000 0.182 1078 N C 0.170 175.356 175.510 -0.540 0.000 1.076 1078 N CA 0.566 53.461 53.050 -0.258 0.000 0.908 1078 N CB -0.225 38.255 38.487 -0.011 0.000 0.967 1078 N HN 0.700 nan 8.380 nan 0.000 0.449 1079 N N 1.875 120.019 118.700 -0.927 0.000 2.469 1079 N HA 0.097 4.837 4.740 0.000 0.000 0.239 1079 N C 0.443 175.607 175.510 -0.577 0.000 1.053 1079 N CA -0.136 52.243 53.050 -1.119 0.000 0.937 1079 N CB 0.184 37.852 38.487 -1.365 0.000 1.163 1079 N HN -0.027 nan 8.380 nan 0.000 0.509 1080 N N 2.942 121.427 118.700 -0.358 0.000 2.348 1080 N HA -0.130 4.610 4.740 0.000 0.000 0.185 1080 N C 0.240 175.651 175.510 -0.164 0.000 1.019 1080 N CA 1.047 53.972 53.050 -0.208 0.000 0.880 1080 N CB 0.052 38.471 38.487 -0.112 0.000 0.965 1080 N HN 0.634 nan 8.380 nan 0.000 0.437 1081 N N 0.082 118.671 118.700 -0.185 0.000 2.336 1081 N HA -0.036 4.704 4.740 0.000 0.000 0.189 1081 N C 0.279 175.720 175.510 -0.115 0.000 1.113 1081 N CA -0.173 52.830 53.050 -0.079 0.000 0.858 1081 N CB 0.250 38.730 38.487 -0.012 0.000 0.970 1081 N HN 0.159 nan 8.380 nan 0.000 0.471 1082 Q N 1.273 120.901 119.800 -0.286 0.000 2.392 1082 Q HA 0.095 4.435 4.340 0.000 0.000 0.262 1082 Q C -1.123 174.759 176.000 -0.197 0.000 1.003 1082 Q CA 0.173 55.754 55.803 -0.370 0.000 0.888 1082 Q CB 0.269 28.696 28.738 -0.518 0.000 1.260 1082 Q HN 0.293 nan 8.270 nan 0.000 0.435 1083 Y N 0.266 120.483 120.300 -0.137 0.000 2.689 1083 Y HA 0.703 5.253 4.550 0.000 0.000 0.333 1083 Y C -1.501 174.333 175.900 -0.110 0.000 1.208 1083 Y CA -0.984 57.014 58.100 -0.170 0.000 1.055 1083 Y CB 0.451 38.779 38.460 -0.219 0.000 1.304 1083 Y HN 0.525 nan 8.280 nan 0.000 0.455 1084 V N -1.851 118.136 119.914 0.122 0.000 3.232 1084 V HA 0.930 5.050 4.120 0.000 0.000 0.303 1084 V C -1.165 174.992 176.094 0.105 0.000 1.311 1084 V CA -0.885 61.492 62.300 0.127 0.000 1.061 1084 V CB 1.715 33.602 31.823 0.107 0.000 1.085 1084 V HN 1.010 nan 8.190 nan 0.000 0.447 1085 S N 1.419 117.210 115.700 0.151 0.000 2.538 1085 S HA 0.850 5.320 4.470 0.000 0.000 0.288 1085 S C -0.783 174.073 174.600 0.427 0.000 1.108 1085 S CA -0.456 57.907 58.200 0.273 0.000 0.971 1085 S CB 1.332 64.652 63.200 0.201 0.000 1.041 1085 S HN 0.747 nan 8.310 nan 0.000 0.483 1086 I N 2.206 123.073 120.570 0.495 0.000 2.545 1086 I HA 0.555 4.725 4.170 0.000 0.000 0.292 1086 I C -1.049 175.375 176.117 0.512 0.000 1.040 1086 I CA -0.546 61.072 61.300 0.531 0.000 1.068 1086 I CB 2.162 40.315 38.000 0.255 0.000 1.251 1086 I HN 0.446 nan 8.210 nan 0.000 0.424 1087 D N 4.955 125.680 120.400 0.542 0.000 2.661 1087 D HA 0.334 4.974 4.640 0.000 0.000 0.228 1087 D C -0.655 175.868 176.300 0.372 0.000 1.183 1087 D CA -0.356 53.824 54.000 0.300 0.000 0.844 1087 D CB 1.514 42.259 40.800 -0.091 0.000 1.555 1087 D HN 0.298 nan 8.370 nan 0.000 0.453 1088 K N 1.553 122.105 120.400 0.253 0.000 3.035 1088 K HA -0.246 4.074 4.320 0.000 0.000 0.262 1088 K C -0.077 176.737 176.600 0.357 0.000 1.024 1088 K CA 0.239 56.685 56.287 0.265 0.000 0.748 1088 K CB -2.393 30.184 32.500 0.128 0.000 1.247 1088 K HN 0.449 nan 8.250 nan 0.000 0.482 1089 F N 1.622 121.721 119.950 0.249 0.000 2.571 1089 F HA 0.029 4.556 4.527 0.000 0.000 0.390 1089 F C 0.874 176.774 175.800 0.166 0.000 1.043 1089 F CA 0.573 58.716 58.000 0.239 0.000 1.164 1089 F CB 0.311 39.399 39.000 0.146 0.000 1.049 1089 F HN 0.134 nan 8.300 nan 0.000 0.552 1090 R N 6.556 126.773 120.500 -0.471 0.000 2.808 1090 R HA 0.700 5.040 4.340 0.000 0.000 0.272 1090 R C -1.621 174.272 176.300 -0.677 0.000 0.995 1090 R CA -0.938 54.876 56.100 -0.476 0.000 0.917 1090 R CB 1.778 31.930 30.300 -0.248 0.000 1.217 1090 R HN 0.750 nan 8.270 nan 0.000 0.471 1091 I N 2.848 123.029 120.570 -0.649 0.000 2.569 1091 I HA 0.380 4.550 4.170 0.000 0.000 0.290 1091 I C -1.216 174.576 176.117 -0.541 0.000 1.088 1091 I CA -0.682 60.312 61.300 -0.510 0.000 1.047 1091 I CB 1.860 39.533 38.000 -0.545 0.000 1.237 1091 I HN 0.420 nan 8.210 nan 0.000 0.421 1092 F N 3.609 123.463 119.950 -0.160 0.000 2.492 1092 F HA 0.298 4.825 4.527 0.000 0.000 0.327 1092 F C 0.968 176.768 175.800 -0.001 0.000 1.079 1092 F CA -0.989 56.964 58.000 -0.078 0.000 0.967 1092 F CB 1.273 40.234 39.000 -0.065 0.000 1.169 1092 F HN 0.503 nan 8.300 nan 0.000 0.472 1093 C N 0.385 119.809 119.300 0.206 0.000 2.269 1093 C HA 0.584 5.044 4.460 0.000 0.000 0.378 1093 C C -0.157 174.956 174.990 0.205 0.000 1.319 1093 C CA -0.643 58.502 59.018 0.212 0.000 1.721 1093 C CB -2.443 25.378 27.740 0.136 0.000 1.998 1093 C HN 0.843 nan 8.230 nan 0.000 0.582 1094 K N -1.378 119.137 120.400 0.192 0.000 2.607 1094 K HA 0.673 4.993 4.320 0.000 0.000 0.287 1094 K C -1.259 175.347 176.600 0.009 0.000 0.996 1094 K CA -0.449 55.898 56.287 0.099 0.000 0.876 1094 K CB 0.926 33.461 32.500 0.058 0.000 1.496 1094 K HN 0.031 nan 8.250 nan 0.000 0.415 1095 A N 2.632 125.426 122.820 -0.044 0.000 2.343 1095 A HA 0.408 4.728 4.320 0.000 0.000 0.305 1095 A C -0.004 177.468 177.584 -0.186 0.000 1.308 1095 A CA -0.806 51.151 52.037 -0.134 0.000 0.949 1095 A CB -0.490 18.449 19.000 -0.101 0.000 1.148 1095 A HN 0.570 nan 8.150 nan 0.000 0.545 1096 L N 3.327 124.368 121.223 -0.303 0.000 2.483 1096 L HA 0.096 4.436 4.340 0.000 0.000 0.276 1096 L C 1.030 177.707 176.870 -0.321 0.000 1.213 1096 L CA -0.201 54.421 54.840 -0.363 0.000 0.843 1096 L CB 0.168 41.896 42.059 -0.551 0.000 1.107 1096 L HN 0.889 nan 8.230 nan 0.000 0.487 1097 N N 1.815 120.359 118.700 -0.260 0.000 2.476 1097 N HA 0.290 5.030 4.740 0.000 0.000 0.276 1097 N C -2.381 172.973 175.510 -0.260 0.000 1.204 1097 N CA -1.736 51.191 53.050 -0.204 0.000 0.974 1097 N CB 1.274 39.688 38.487 -0.122 0.000 1.204 1097 N HN 0.184 nan 8.380 nan 0.000 0.543 1098 P HA -0.238 nan 4.420 nan 0.000 0.217 1098 P C 1.377 178.595 177.300 -0.138 0.000 1.158 1098 P CA 1.974 64.987 63.100 -0.145 0.000 0.887 1098 P CB 0.111 31.808 31.700 -0.005 0.000 0.792 1099 K N 0.033 120.372 120.400 -0.101 0.000 2.026 1099 K HA -0.197 4.123 4.320 0.000 0.000 0.208 1099 K C 1.982 178.520 176.600 -0.104 0.000 1.048 1099 K CA 1.677 57.916 56.287 -0.080 0.000 0.929 1099 K CB -0.282 32.180 32.500 -0.062 0.000 0.713 1099 K HN 0.119 nan 8.250 nan 0.000 0.439 1100 E N 0.449 120.562 120.200 -0.145 0.000 2.110 1100 E HA -0.188 4.162 4.350 0.000 0.000 0.193 1100 E C 2.072 178.557 176.600 -0.192 0.000 0.988 1100 E CA 1.361 57.660 56.400 -0.169 0.000 0.804 1100 E CB -0.126 29.445 29.700 -0.215 0.000 0.745 1100 E HN 0.392 nan 8.360 nan 0.000 0.458 1101 I N 0.979 121.397 120.570 -0.253 0.000 2.252 1101 I HA -0.228 3.943 4.170 0.000 0.000 0.245 1101 I C 2.596 178.680 176.117 -0.055 0.000 1.102 1101 I CA 0.974 62.124 61.300 -0.250 0.000 1.385 1101 I CB -0.158 37.527 38.000 -0.526 0.000 1.064 1101 I HN 0.055 nan 8.210 nan 0.000 0.414 1102 E N 1.761 121.934 120.200 -0.045 0.000 2.058 1102 E HA -0.286 4.064 4.350 0.000 0.000 0.194 1102 E C 2.005 178.637 176.600 0.054 0.000 0.997 1102 E CA 1.725 58.163 56.400 0.062 0.000 0.801 1102 E CB -0.092 29.623 29.700 0.026 0.000 0.746 1102 E HN 0.114 nan 8.360 nan 0.000 0.450 1103 K N -0.159 120.230 120.400 -0.018 0.000 2.057 1103 K HA -0.081 4.240 4.320 0.000 0.000 0.207 1103 K C 2.079 178.643 176.600 -0.060 0.000 1.049 1103 K CA 1.181 57.439 56.287 -0.048 0.000 0.931 1103 K CB -0.746 31.716 32.500 -0.063 0.000 0.714 1103 K HN 0.252 nan 8.250 nan 0.000 0.440 1104 L N 0.197 121.403 121.223 -0.028 0.000 1.989 1104 L HA -0.190 4.150 4.340 0.000 0.000 0.211 1104 L C 2.120 178.970 176.870 -0.034 0.000 1.071 1104 L CA 1.995 56.835 54.840 -0.000 0.000 0.749 1104 L CB -1.153 40.983 42.059 0.128 0.000 0.890 1104 L HN 0.381 nan 8.230 nan 0.000 0.431 1105 Y N 0.955 121.182 120.300 -0.122 0.000 2.030 1105 Y HA -0.331 4.219 4.550 0.000 0.000 0.274 1105 Y C 2.794 178.631 175.900 -0.105 0.000 1.153 1105 Y CA 2.753 60.661 58.100 -0.319 0.000 1.115 1105 Y CB -1.393 37.042 38.460 -0.041 0.000 0.969 1105 Y HN 0.496 nan 8.280 nan 0.000 0.488 1106 T N -1.811 112.570 114.554 -0.288 0.000 2.962 1106 T HA -0.148 4.202 4.350 0.000 0.000 0.270 1106 T C 2.080 176.656 174.700 -0.207 0.000 1.088 1106 T CA 1.363 63.254 62.100 -0.349 0.000 1.127 1106 T CB -1.113 67.607 68.868 -0.247 0.000 0.883 1106 T HN 0.504 nan 8.240 nan 0.000 0.493 1107 S N 0.331 115.902 115.700 -0.216 0.000 2.469 1107 S HA -0.090 4.380 4.470 0.000 0.000 0.238 1107 S C 1.565 175.993 174.600 -0.287 0.000 0.998 1107 S CA 0.311 58.351 58.200 -0.267 0.000 0.957 1107 S CB -0.877 62.114 63.200 -0.348 0.000 0.764 1107 S HN 0.616 nan 8.310 nan 0.000 0.514 1108 Y N 1.324 121.580 120.300 -0.074 0.000 2.517 1108 Y HA 0.412 4.962 4.550 0.000 0.000 0.281 1108 Y C 1.118 176.941 175.900 -0.129 0.000 1.125 1108 Y CA -0.234 57.833 58.100 -0.055 0.000 1.283 1108 Y CB -0.169 38.367 38.460 0.128 0.000 1.042 1108 Y HN 0.219 nan 8.280 nan 0.000 0.547 1109 L N 1.830 123.058 121.223 0.008 0.000 2.511 1109 L HA 0.082 4.422 4.340 0.000 0.000 0.239 1109 L C 0.765 177.596 176.870 -0.064 0.000 1.400 1109 L CA -0.415 54.398 54.840 -0.045 0.000 1.226 1109 L CB -1.189 40.817 42.059 -0.088 0.000 1.475 1109 L HN 0.135 nan 8.230 nan 0.000 0.428 1110 S N -0.148 115.512 115.700 -0.068 0.000 2.580 1110 S HA 0.133 4.603 4.470 0.000 0.000 0.266 1110 S C 0.695 175.251 174.600 -0.074 0.000 1.354 1110 S CA -0.478 57.677 58.200 -0.075 0.000 1.008 1110 S CB 1.821 64.978 63.200 -0.073 0.000 0.898 1110 S HN 0.477 nan 8.310 nan 0.000 0.555 1111 I N 0.122 120.638 120.570 -0.090 0.000 4.154 1111 I HA 0.027 4.197 4.170 0.000 0.000 0.334 1111 I C 1.386 177.419 176.117 -0.140 0.000 1.371 1111 I CA -0.001 61.245 61.300 -0.090 0.000 1.110 1111 I CB -0.296 37.657 38.000 -0.078 0.000 1.085 1111 I HN 0.821 nan 8.210 nan 0.000 0.398 1112 T N 1.660 116.087 114.554 -0.211 0.000 2.597 1112 T HA -0.175 4.175 4.350 0.000 0.000 0.267 1112 T C 0.405 174.816 174.700 -0.482 0.000 1.053 1112 T CA 1.804 63.657 62.100 -0.412 0.000 1.165 1112 T CB -0.301 68.201 68.868 -0.611 0.000 0.863 1112 T HN 0.107 nan 8.240 nan 0.000 0.427 1113 F N 0.107 120.010 119.950 -0.079 0.000 2.432 1113 F HA 0.561 5.088 4.527 0.000 0.000 0.329 1113 F C 0.301 176.021 175.800 -0.133 0.000 1.076 1113 F CA -1.468 56.471 58.000 -0.102 0.000 1.018 1113 F CB 0.614 39.518 39.000 -0.160 0.000 1.201 1113 F HN -0.056 nan 8.300 nan 0.000 0.489 1114 L N 2.033 123.292 121.223 0.060 0.000 2.421 1114 L HA 0.590 4.930 4.340 0.000 0.000 0.263 1114 L C -0.072 176.743 176.870 -0.091 0.000 1.122 1114 L CA -0.763 54.042 54.840 -0.057 0.000 0.804 1114 L CB 1.001 42.970 42.059 -0.150 0.000 1.150 1114 L HN 0.562 nan 8.230 nan 0.000 0.457 1115 R N -0.164 120.284 120.500 -0.086 0.000 2.803 1115 R HA 0.345 4.685 4.340 0.000 0.000 0.276 1115 R C -1.169 175.092 176.300 -0.064 0.000 0.978 1115 R CA -0.926 55.110 56.100 -0.108 0.000 0.939 1115 R CB 1.693 31.904 30.300 -0.147 0.000 1.179 1115 R HN 0.665 nan 8.270 nan 0.000 0.472 1116 D N 0.351 120.731 120.400 -0.032 0.000 2.478 1116 D HA -0.042 4.598 4.640 0.000 0.000 0.269 1116 D C 0.676 177.043 176.300 0.112 0.000 1.232 1116 D CA -0.558 53.485 54.000 0.071 0.000 1.059 1116 D CB 0.207 41.147 40.800 0.233 0.000 1.104 1116 D HN 0.371 nan 8.370 nan 0.000 0.566 1117 F N -0.645 119.236 119.950 -0.115 0.000 2.202 1117 F HA -0.047 4.480 4.527 0.000 0.000 0.301 1117 F C 1.380 176.992 175.800 -0.314 0.000 1.082 1117 F CA 1.059 58.859 58.000 -0.333 0.000 1.313 1117 F CB -0.197 38.333 39.000 -0.784 0.000 1.024 1117 F HN 0.397 nan 8.300 nan 0.000 0.495 1118 W N -0.486 120.849 121.300 0.058 0.000 2.905 1118 W HA 0.303 4.963 4.660 0.000 0.000 0.251 1118 W C 1.882 178.322 176.519 -0.132 0.000 1.305 1118 W CA 0.568 57.881 57.345 -0.053 0.000 1.465 1118 W CB -0.258 29.235 29.460 0.054 0.000 1.122 1118 W HN 0.187 nan 8.180 nan 0.000 0.659 1119 G N 0.101 108.740 108.800 -0.268 0.000 2.179 1119 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 1119 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 1119 G C -0.023 174.703 174.900 -0.291 0.000 0.990 1119 G CA -0.313 44.228 45.100 -0.932 0.000 0.646 1119 G HN 0.330 nan 8.290 nan 0.000 0.517 1120 N N 1.339 120.054 118.700 0.025 0.000 2.463 1120 N HA 0.513 5.253 4.740 0.000 0.000 0.270 1120 N C -2.674 172.755 175.510 -0.134 0.000 1.205 1120 N CA -1.642 51.419 53.050 0.019 0.000 0.974 1120 N CB 1.052 39.649 38.487 0.183 0.000 1.197 1120 N HN -0.016 nan 8.380 nan 0.000 0.504 1121 P HA -0.063 nan 4.420 nan 0.000 0.262 1121 P C -0.665 176.492 177.300 -0.238 0.000 1.182 1121 P CA -0.030 62.764 63.100 -0.510 0.000 0.761 1121 P CB 0.460 31.330 31.700 -1.384 0.000 0.795 1122 L N 5.278 126.400 121.223 -0.168 0.000 2.426 1122 L HA 0.211 4.551 4.340 0.000 0.000 0.271 1122 L C 0.570 177.477 176.870 0.062 0.000 1.169 1122 L CA 0.700 55.484 54.840 -0.094 0.000 0.836 1122 L CB 0.062 41.944 42.059 -0.294 0.000 1.112 1122 L HN 0.353 nan 8.230 nan 0.000 0.465 1123 R N 2.901 123.550 120.500 0.249 0.000 2.854 1123 R HA 0.417 4.757 4.340 0.000 0.000 0.271 1123 R C -1.289 175.138 176.300 0.212 0.000 0.994 1123 R CA -0.846 55.423 56.100 0.282 0.000 0.945 1123 R CB 1.296 31.808 30.300 0.354 0.000 1.194 1123 R HN 0.419 nan 8.270 nan 0.000 0.476 1124 Y N 0.852 121.287 120.300 0.225 0.000 2.295 1124 Y HA 0.000 4.550 4.550 0.000 0.000 0.331 1124 Y C 0.595 176.585 175.900 0.150 0.000 1.311 1124 Y CA 0.295 58.509 58.100 0.191 0.000 1.430 1124 Y CB 0.700 39.239 38.460 0.132 0.000 1.339 1124 Y HN 0.664 nan 8.280 nan 0.000 0.552 1125 D N 0.327 120.915 120.400 0.313 0.000 2.701 1125 D HA -0.175 4.465 4.640 0.000 0.000 0.235 1125 D C -0.877 175.480 176.300 0.094 0.000 1.155 1125 D CA 1.082 55.178 54.000 0.159 0.000 0.649 1125 D CB -1.582 39.283 40.800 0.108 0.000 1.050 1125 D HN 0.439 nan 8.370 nan 0.000 0.425 1126 T N 0.372 114.980 114.554 0.091 0.000 2.916 1126 T HA 0.280 4.630 4.350 0.000 0.000 0.298 1126 T C 0.031 174.588 174.700 -0.238 0.000 1.031 1126 T CA -0.799 61.236 62.100 -0.108 0.000 0.993 1126 T CB 2.318 71.068 68.868 -0.197 0.000 1.045 1126 T HN -0.049 nan 8.240 nan 0.000 0.454 1127 E N 2.000 122.044 120.200 -0.261 0.000 2.316 1127 E HA 0.304 4.654 4.350 0.000 0.000 0.275 1127 E C -1.180 175.216 176.600 -0.339 0.000 1.029 1127 E CA -0.073 56.203 56.400 -0.207 0.000 0.871 1127 E CB 0.677 30.273 29.700 -0.173 0.000 1.022 1127 E HN 0.505 nan 8.360 nan 0.000 0.418 1128 Y N 1.213 121.553 120.300 0.067 0.000 2.457 1128 Y HA 0.256 4.806 4.550 0.000 0.000 0.343 1128 Y C -0.803 175.097 175.900 -0.000 0.000 0.994 1128 Y CA -0.932 57.240 58.100 0.119 0.000 1.031 1128 Y CB 1.149 39.772 38.460 0.272 0.000 1.246 1128 Y HN 0.420 nan 8.280 nan 0.000 0.449 1129 Y N 2.701 123.175 120.300 0.290 0.000 2.308 1129 Y HA 0.467 5.017 4.550 0.000 0.000 0.329 1129 Y C -0.501 175.429 175.900 0.050 0.000 1.111 1129 Y CA -0.616 57.605 58.100 0.201 0.000 1.179 1129 Y CB 0.823 39.375 38.460 0.154 0.000 1.201 1129 Y HN 0.380 nan 8.280 nan 0.000 0.483 1130 L N 4.678 125.977 121.223 0.127 0.000 2.289 1130 L HA 0.486 4.826 4.340 0.000 0.000 0.285 1130 L C -0.629 176.347 176.870 0.176 0.000 1.049 1130 L CA -0.212 54.565 54.840 -0.104 0.000 0.804 1130 L CB 0.800 42.516 42.059 -0.572 0.000 1.195 1130 L HN 0.494 nan 8.230 nan 0.000 0.428 1131 I N 5.559 126.291 120.570 0.271 0.000 2.512 1131 I HA 0.313 4.483 4.170 0.000 0.000 0.287 1131 I C -2.310 173.947 176.117 0.233 0.000 1.069 1131 I CA -1.803 59.658 61.300 0.269 0.000 1.056 1131 I CB 2.501 40.621 38.000 0.201 0.000 1.229 1131 I HN 0.417 nan 8.210 nan 0.000 0.429 1132 P HA 0.040 nan 4.420 nan 0.000 0.270 1132 P C 1.012 178.097 177.300 -0.359 0.000 1.242 1132 P CA 0.044 62.780 63.100 -0.607 0.000 0.768 1132 P CB 1.428 32.690 31.700 -0.730 0.000 0.820 1133 V N 4.533 124.135 119.914 -0.521 0.000 2.317 1133 V HA -0.327 3.793 4.120 0.000 0.000 0.251 1133 V C 2.649 178.620 176.094 -0.206 0.000 1.065 1133 V CA 2.851 64.882 62.300 -0.448 0.000 1.049 1133 V CB -1.505 29.946 31.823 -0.620 0.000 0.651 1133 V HN 0.610 nan 8.190 nan 0.000 0.450 1134 A N 0.051 122.701 122.820 -0.282 0.000 2.024 1134 A HA -0.083 4.237 4.320 0.000 0.000 0.220 1134 A C 1.496 179.011 177.584 -0.115 0.000 1.164 1134 A CA 1.706 53.633 52.037 -0.183 0.000 0.643 1134 A CB -0.278 18.593 19.000 -0.215 0.000 0.806 1134 A HN 0.810 nan 8.150 nan 0.000 0.451 1135 S N -1.228 114.398 115.700 -0.124 0.000 2.386 1135 S HA 0.303 4.773 4.470 0.000 0.000 0.152 1135 S C 0.381 174.939 174.600 -0.071 0.000 1.511 1135 S CA 0.217 58.371 58.200 -0.077 0.000 1.246 1135 S CB 0.279 63.434 63.200 -0.077 0.000 1.338 1135 S HN 0.752 nan 8.310 nan 0.000 0.409 1136 S N 1.284 116.962 115.700 -0.035 0.000 2.571 1136 S HA -0.135 4.335 4.470 0.000 0.000 0.245 1136 S C 1.568 175.978 174.600 -0.315 0.000 0.976 1136 S CA 0.869 59.007 58.200 -0.103 0.000 0.954 1136 S CB -0.810 62.358 63.200 -0.053 0.000 0.756 1136 S HN 0.940 nan 8.310 nan 0.000 0.535 1137 S N 0.231 115.822 115.700 -0.183 0.000 2.528 1137 S HA 0.236 4.706 4.470 0.000 0.000 0.219 1137 S C 0.491 175.032 174.600 -0.098 0.000 0.985 1137 S CA -0.358 57.749 58.200 -0.156 0.000 0.914 1137 S CB -0.063 63.084 63.200 -0.088 0.000 0.776 1137 S HN 0.328 nan 8.310 nan 0.000 0.526 1138 K N 1.970 122.329 120.400 -0.067 0.000 2.156 1138 K HA 0.546 4.866 4.320 0.000 0.000 0.254 1138 K C -0.982 175.626 176.600 0.013 0.000 0.950 1138 K CA -0.491 55.788 56.287 -0.014 0.000 0.849 1138 K CB 0.888 33.398 32.500 0.017 0.000 1.100 1138 K HN 0.098 nan 8.250 nan 0.000 0.434 1139 D N 0.417 120.834 120.400 0.029 0.000 2.392 1139 D HA 0.385 5.025 4.640 0.000 0.000 0.246 1139 D C -0.495 175.849 176.300 0.072 0.000 1.013 1139 D CA -0.631 53.403 54.000 0.058 0.000 0.993 1139 D CB 1.999 42.820 40.800 0.036 0.000 1.219 1139 D HN -0.008 nan 8.370 nan 0.000 0.538 1140 V N 1.706 121.686 119.914 0.109 0.000 2.483 1140 V HA 0.321 4.441 4.120 0.000 0.000 0.295 1140 V C 0.073 176.139 176.094 -0.046 0.000 1.035 1140 V CA -0.598 61.745 62.300 0.072 0.000 0.896 1140 V CB 1.589 33.532 31.823 0.200 0.000 0.986 1140 V HN 0.337 nan 8.190 nan 0.000 0.447 1141 Q N 2.354 121.981 119.800 -0.289 0.000 2.433 1141 Q HA 0.641 4.981 4.340 0.000 0.000 0.279 1141 Q C -1.311 174.438 176.000 -0.419 0.000 1.105 1141 Q CA -0.859 54.691 55.803 -0.422 0.000 0.815 1141 Q CB 2.872 31.161 28.738 -0.750 0.000 1.403 1141 Q HN 0.625 nan 8.270 nan 0.000 0.435 1142 L N 1.661 122.730 121.223 -0.256 0.000 2.322 1142 L HA 0.369 4.709 4.340 0.000 0.000 0.281 1142 L C 0.897 177.703 176.870 -0.107 0.000 1.014 1142 L CA -0.044 54.665 54.840 -0.218 0.000 0.815 1142 L CB 1.087 42.903 42.059 -0.405 0.000 1.247 1142 L HN 0.442 nan 8.230 nan 0.000 0.421 1143 K N 2.781 123.103 120.400 -0.130 0.000 1.984 1143 K HA 0.049 4.369 4.320 0.000 0.000 0.209 1143 K C 0.015 176.521 176.600 -0.157 0.000 1.046 1143 K CA 1.234 57.405 56.287 -0.193 0.000 0.934 1143 K CB 0.140 32.215 32.500 -0.708 0.000 0.717 1143 K HN 0.773 nan 8.250 nan 0.000 0.438 1144 N N -1.039 117.543 118.700 -0.197 0.000 3.046 1144 N HA 0.073 4.813 4.740 0.000 0.000 0.243 1144 N C -1.445 173.942 175.510 -0.205 0.000 1.452 1144 N CA -0.655 52.294 53.050 -0.167 0.000 0.882 1144 N CB 0.991 39.429 38.487 -0.082 0.000 1.425 1144 N HN -0.035 nan 8.380 nan 0.000 0.517 1145 I N 1.808 122.254 120.570 -0.207 0.000 2.752 1145 I HA 0.042 4.212 4.170 0.000 0.000 0.287 1145 I C 1.453 177.517 176.117 -0.088 0.000 1.188 1145 I CA 1.632 62.805 61.300 -0.211 0.000 1.427 1145 I CB -0.260 37.635 38.000 -0.176 0.000 1.365 1145 I HN 0.836 nan 8.210 nan 0.000 0.585 1146 T N 1.517 116.047 114.554 -0.039 0.000 7.013 1146 T HA -0.222 4.128 4.350 0.000 0.000 0.288 1146 T C 0.428 175.203 174.700 0.124 0.000 2.146 1146 T CA 1.151 63.281 62.100 0.051 0.000 3.498 1146 T CB -2.103 66.753 68.868 -0.020 0.000 1.517 1146 T HN 0.748 nan 8.240 nan 0.000 1.113 1147 D N 0.581 121.013 120.400 0.054 0.000 2.541 1147 D HA 0.589 5.229 4.640 0.000 0.000 0.276 1147 D C 0.473 176.860 176.300 0.145 0.000 1.190 1147 D CA -0.274 53.794 54.000 0.114 0.000 1.095 1147 D CB 0.652 41.483 40.800 0.051 0.000 1.173 1147 D HN 0.617 nan 8.370 nan 0.000 0.604 1148 Y N -0.733 119.621 120.300 0.090 0.000 2.458 1148 Y HA 0.613 5.164 4.550 0.000 0.000 0.322 1148 Y C -0.186 175.829 175.900 0.191 0.000 1.259 1148 Y CA -0.944 57.235 58.100 0.133 0.000 1.302 1148 Y CB 0.607 39.152 38.460 0.142 0.000 1.314 1148 Y HN 0.073 nan 8.280 nan 0.000 0.509 1149 M N 2.621 122.429 119.600 0.347 0.000 2.578 1149 M HA 0.481 4.962 4.480 0.000 0.000 0.321 1149 M C -1.567 175.040 176.300 0.511 0.000 1.182 1149 M CA -0.881 54.574 55.300 0.258 0.000 0.965 1149 M CB 2.123 34.831 32.600 0.181 0.000 1.694 1149 M HN 0.845 nan 8.290 nan 0.000 0.461 1150 Y N -0.928 119.490 120.300 0.197 0.000 2.638 1150 Y HA 0.713 5.263 4.550 0.000 0.000 0.335 1150 Y C -1.885 174.128 175.900 0.188 0.000 1.155 1150 Y CA -1.643 56.605 58.100 0.248 0.000 1.046 1150 Y CB 0.764 39.405 38.460 0.301 0.000 1.303 1150 Y HN 0.530 nan 8.280 nan 0.000 0.460 1151 L N 2.042 123.410 121.223 0.242 0.000 2.395 1151 L HA 0.658 4.998 4.340 0.000 0.000 0.269 1151 L C -0.170 176.771 176.870 0.117 0.000 1.133 1151 L CA -0.333 54.585 54.840 0.130 0.000 0.812 1151 L CB 1.414 43.563 42.059 0.150 0.000 1.125 1151 L HN 0.855 nan 8.230 nan 0.000 0.452 1152 T N 0.674 115.255 114.554 0.045 0.000 2.906 1152 T HA 0.249 4.599 4.350 0.000 0.000 0.295 1152 T C -0.462 174.263 174.700 0.042 0.000 1.061 1152 T CA -0.758 61.377 62.100 0.058 0.000 1.000 1152 T CB 1.460 70.335 68.868 0.011 0.000 1.103 1152 T HN 0.498 nan 8.240 nan 0.000 0.486 1153 N N 1.267 119.994 118.700 0.044 0.000 2.420 1153 N HA 0.466 5.206 4.740 0.000 0.000 0.262 1153 N C -0.141 175.375 175.510 0.011 0.000 1.144 1153 N CA -0.473 52.589 53.050 0.021 0.000 0.952 1153 N CB 0.692 39.192 38.487 0.022 0.000 1.081 1153 N HN 0.694 nan 8.380 nan 0.000 0.480 1154 A N 3.928 126.743 122.820 -0.009 0.000 2.388 1154 A HA 0.352 4.672 4.320 0.000 0.000 0.257 1154 A C -1.870 175.713 177.584 -0.001 0.000 1.095 1154 A CA -1.091 50.939 52.037 -0.011 0.000 0.791 1154 A CB 0.085 19.059 19.000 -0.044 0.000 1.029 1154 A HN 0.486 nan 8.150 nan 0.000 0.489 1155 P HA 0.353 nan 4.420 nan 0.000 0.276 1155 P C -0.487 176.832 177.300 0.032 0.000 1.244 1155 P CA -0.206 62.906 63.100 0.021 0.000 0.801 1155 P CB 1.294 33.014 31.700 0.033 0.000 1.006 1156 S N 0.302 116.013 115.700 0.019 0.000 2.607 1156 S HA 0.448 4.918 4.470 0.000 0.000 0.303 1156 S C -1.098 173.497 174.600 -0.009 0.000 1.086 1156 S CA -0.328 57.883 58.200 0.018 0.000 0.995 1156 S CB 0.841 64.046 63.200 0.008 0.000 1.084 1156 S HN 0.492 nan 8.310 nan 0.000 0.507 1157 Y N 2.098 122.242 120.300 -0.260 0.000 2.352 1157 Y HA 0.584 5.134 4.550 0.000 0.000 0.339 1157 Y C -0.251 175.497 175.900 -0.252 0.000 0.992 1157 Y CA -0.531 57.366 58.100 -0.338 0.000 1.100 1157 Y CB 1.104 39.169 38.460 -0.659 0.000 1.192 1157 Y HN 0.678 nan 8.280 nan 0.000 0.458 1158 T N 3.384 117.423 114.554 -0.859 0.000 2.881 1158 T HA 0.392 4.742 4.350 0.000 0.000 0.290 1158 T C -1.397 172.872 174.700 -0.717 0.000 1.000 1158 T CA -0.990 60.760 62.100 -0.583 0.000 0.978 1158 T CB 1.421 70.102 68.868 -0.313 0.000 0.997 1158 T HN 0.655 nan 8.240 nan 0.000 0.443 1159 N N 1.292 119.737 118.700 -0.425 0.000 2.609 1159 N HA 0.326 5.066 4.740 0.000 0.000 0.268 1159 N C 1.232 176.689 175.510 -0.089 0.000 1.106 1159 N CA -0.204 52.696 53.050 -0.249 0.000 0.823 1159 N CB 1.567 39.980 38.487 -0.125 0.000 1.263 1159 N HN 0.906 nan 8.380 nan 0.000 0.533 1160 G N 3.022 111.772 108.800 -0.084 0.000 2.459 1160 G HA2 -0.309 3.651 3.960 0.000 0.000 0.217 1160 G HA3 -0.309 3.651 3.960 0.000 0.000 0.217 1160 G C 1.306 176.198 174.900 -0.014 0.000 1.183 1160 G CA 1.264 46.339 45.100 -0.042 0.000 0.776 1160 G HN 0.709 nan 8.290 nan 0.000 0.552 1161 K N 0.184 120.576 120.400 -0.013 0.000 2.280 1161 K HA 0.112 4.432 4.320 0.000 0.000 0.202 1161 K C 2.018 178.626 176.600 0.012 0.000 1.047 1161 K CA 1.000 57.286 56.287 -0.001 0.000 0.942 1161 K CB -0.276 32.223 32.500 -0.001 0.000 0.739 1161 K HN 0.383 nan 8.250 nan 0.000 0.457 1162 L N 0.713 121.949 121.223 0.022 0.000 2.607 1162 L HA 0.082 4.422 4.340 0.000 0.000 0.228 1162 L C -0.005 176.892 176.870 0.045 0.000 1.123 1162 L CA -0.240 54.623 54.840 0.038 0.000 0.890 1162 L CB -0.551 41.546 42.059 0.063 0.000 1.103 1162 L HN 0.327 nan 8.230 nan 0.000 0.468 1163 N N 1.615 120.341 118.700 0.044 0.000 2.696 1163 N HA -0.255 4.485 4.740 0.000 0.000 0.256 1163 N C -0.679 174.884 175.510 0.089 0.000 1.031 1163 N CA 0.467 53.556 53.050 0.066 0.000 0.730 1163 N CB -0.842 37.672 38.487 0.045 0.000 0.894 1163 N HN 0.468 nan 8.380 nan 0.000 0.544 1164 I N 1.344 121.985 120.570 0.118 0.000 2.607 1164 I HA 0.613 4.783 4.170 0.000 0.000 0.290 1164 I C -1.386 174.860 176.117 0.214 0.000 1.129 1164 I CA -0.966 60.420 61.300 0.144 0.000 1.042 1164 I CB 1.244 39.347 38.000 0.172 0.000 1.242 1164 I HN 0.228 nan 8.210 nan 0.000 0.421 1165 Y N 5.981 126.371 120.300 0.150 0.000 2.624 1165 Y HA 0.807 5.357 4.550 0.000 0.000 0.334 1165 Y C -1.975 174.092 175.900 0.278 0.000 1.155 1165 Y CA -1.171 56.960 58.100 0.052 0.000 1.046 1165 Y CB 1.044 39.481 38.460 -0.039 0.000 1.316 1165 Y HN 0.640 nan 8.280 nan 0.000 0.457 1166 Y N -0.742 119.805 120.300 0.413 0.000 2.661 1166 Y HA 0.566 5.116 4.550 0.000 0.000 0.339 1166 Y C -1.374 174.742 175.900 0.360 0.000 1.186 1166 Y CA -2.105 56.218 58.100 0.373 0.000 1.137 1166 Y CB 0.785 39.483 38.460 0.398 0.000 1.354 1166 Y HN 0.908 nan 8.280 nan 0.000 0.469 1167 R N 1.655 122.416 120.500 0.436 0.000 2.543 1167 R HA 0.569 4.909 4.340 0.000 0.000 0.277 1167 R C -0.815 175.729 176.300 0.406 0.000 1.074 1167 R CA -0.766 55.465 56.100 0.219 0.000 1.076 1167 R CB 0.765 31.044 30.300 -0.035 0.000 0.993 1167 R HN 0.752 nan 8.270 nan 0.000 0.459 1168 R N 2.222 122.877 120.500 0.258 0.000 2.539 1168 R HA 0.266 4.606 4.340 0.000 0.000 0.275 1168 R C -0.060 176.270 176.300 0.050 0.000 1.077 1168 R CA -0.400 55.880 56.100 0.301 0.000 1.097 1168 R CB 0.426 30.837 30.300 0.185 0.000 1.018 1168 R HN 0.447 nan 8.270 nan 0.000 0.483 1169 L N 1.608 122.743 121.223 -0.146 0.000 2.335 1169 L HA 0.346 4.686 4.340 0.000 0.000 0.268 1169 L C -0.294 176.185 176.870 -0.652 0.000 1.016 1169 L CA -0.979 53.468 54.840 -0.655 0.000 0.805 1169 L CB 0.509 41.742 42.059 -1.377 0.000 1.311 1169 L HN 0.677 nan 8.230 nan 0.000 0.456 1170 Y N -1.252 118.664 120.300 -0.639 0.000 4.569 1170 Y HA -0.233 4.317 4.550 0.000 0.000 0.237 1170 Y C -0.026 175.393 175.900 -0.802 0.000 1.090 1170 Y CA -0.214 57.187 58.100 -1.166 0.000 2.052 1170 Y CB -2.694 35.511 38.460 -0.426 0.000 1.621 1170 Y HN 0.570 nan 8.280 nan 0.000 0.682 1171 N N 0.483 118.964 118.700 -0.365 0.000 2.384 1171 N HA 0.686 5.426 4.740 0.000 0.000 0.301 1171 N C 0.627 176.206 175.510 0.115 0.000 1.133 1171 N CA 0.609 53.638 53.050 -0.035 0.000 0.853 1171 N CB 2.217 40.700 38.487 -0.008 0.000 1.241 1171 N HN 0.561 nan 8.380 nan 0.000 0.502 1172 G N 0.083 109.006 108.800 0.205 0.000 2.655 1172 G HA2 -0.175 3.785 3.960 0.000 0.000 0.680 1172 G HA3 -0.175 3.785 3.960 0.000 0.000 0.680 1172 G C -0.926 174.153 174.900 0.298 0.000 1.302 1172 G CA -0.929 44.306 45.100 0.224 0.000 0.872 1172 G HN 0.372 nan 8.290 nan 0.000 0.540 1173 L N 0.291 121.607 121.223 0.155 0.000 2.516 1173 L HA 0.316 4.656 4.340 0.000 0.000 0.288 1173 L C 1.227 178.009 176.870 -0.145 0.000 1.246 1173 L CA 0.900 55.719 54.840 -0.036 0.000 0.844 1173 L CB 0.228 42.120 42.059 -0.278 0.000 1.106 1173 L HN 0.585 nan 8.230 nan 0.000 0.509 1174 K N 2.512 122.714 120.400 -0.330 0.000 2.307 1174 K HA 0.496 4.816 4.320 0.000 0.000 0.263 1174 K C -1.176 175.228 176.600 -0.325 0.000 0.973 1174 K CA -0.356 55.699 56.287 -0.386 0.000 0.846 1174 K CB 1.069 33.370 32.500 -0.331 0.000 1.100 1174 K HN 0.166 nan 8.250 nan 0.000 0.438 1175 F N 2.569 122.479 119.950 -0.066 0.000 2.507 1175 F HA 0.555 5.082 4.527 0.000 0.000 0.327 1175 F C 0.278 176.176 175.800 0.162 0.000 1.068 1175 F CA -0.911 57.127 58.000 0.065 0.000 0.965 1175 F CB 1.213 40.232 39.000 0.032 0.000 1.192 1175 F HN 0.184 nan 8.300 nan 0.000 0.476 1176 I N 3.100 123.927 120.570 0.428 0.000 2.533 1176 I HA 0.372 4.542 4.170 0.000 0.000 0.290 1176 I C -0.960 175.424 176.117 0.445 0.000 1.056 1176 I CA -0.567 60.950 61.300 0.363 0.000 1.057 1176 I CB 2.148 40.268 38.000 0.199 0.000 1.240 1176 I HN 0.363 nan 8.210 nan 0.000 0.423 1177 I N 6.260 127.088 120.570 0.430 0.000 2.325 1177 I HA 0.321 4.491 4.170 0.000 0.000 0.291 1177 I C -0.094 176.314 176.117 0.485 0.000 1.019 1177 I CA -0.377 61.160 61.300 0.396 0.000 1.302 1177 I CB 0.689 38.800 38.000 0.185 0.000 1.401 1177 I HN 0.433 nan 8.210 nan 0.000 0.485 1178 K N 6.294 127.011 120.400 0.530 0.000 2.259 1178 K HA 0.490 4.810 4.320 0.000 0.000 0.249 1178 K C -0.570 176.321 176.600 0.485 0.000 0.942 1178 K CA -0.988 55.578 56.287 0.464 0.000 0.816 1178 K CB 2.292 34.980 32.500 0.313 0.000 1.155 1178 K HN 0.587 nan 8.250 nan 0.000 0.428 1179 R N 1.742 122.358 120.500 0.193 0.000 2.442 1179 R HA 0.027 4.368 4.340 0.000 0.000 0.291 1179 R C 0.470 176.896 176.300 0.211 0.000 1.069 1179 R CA -0.212 55.949 56.100 0.103 0.000 1.022 1179 R CB 0.146 30.246 30.300 -0.333 0.000 0.976 1179 R HN 0.699 nan 8.270 nan 0.000 0.443 1180 Y N 2.967 123.387 120.300 0.199 0.000 2.128 1180 Y HA -0.206 4.344 4.550 0.000 0.000 0.284 1180 Y C 0.741 176.707 175.900 0.109 0.000 1.154 1180 Y CA 2.146 60.353 58.100 0.178 0.000 1.149 1180 Y CB 0.375 38.961 38.460 0.211 0.000 0.976 1180 Y HN 0.860 nan 8.280 nan 0.000 0.505 1181 T N -2.321 112.334 114.554 0.170 0.000 2.853 1181 T HA 0.400 4.750 4.350 0.000 0.000 0.311 1181 T C -3.068 171.665 174.700 0.055 0.000 1.307 1181 T CA -1.787 60.348 62.100 0.058 0.000 1.019 1181 T CB 2.008 70.932 68.868 0.093 0.000 1.264 1181 T HN -0.045 nan 8.240 nan 0.000 0.497 1182 P HA 0.249 nan 4.420 nan 0.000 0.281 1182 P C -0.974 176.340 177.300 0.024 0.000 1.286 1182 P CA -0.349 62.748 63.100 -0.004 0.000 0.772 1182 P CB 0.317 32.004 31.700 -0.021 0.000 0.862 1183 N N 3.979 122.700 118.700 0.036 0.000 2.485 1183 N HA 0.011 4.752 4.740 0.000 0.000 0.243 1183 N C 0.613 176.144 175.510 0.035 0.000 0.987 1183 N CA -0.481 52.600 53.050 0.051 0.000 0.940 1183 N CB 0.286 38.822 38.487 0.082 0.000 1.122 1183 N HN 0.151 nan 8.380 nan 0.000 0.509 1184 N N 1.729 120.445 118.700 0.027 0.000 1.536 1184 N HA -0.315 4.425 4.740 0.000 0.000 0.117 1184 N C -0.548 174.969 175.510 0.012 0.000 0.405 1184 N CA 2.057 55.117 53.050 0.017 0.000 0.798 1184 N CB -0.354 38.144 38.487 0.019 0.000 0.652 1184 N HN 0.766 nan 8.380 nan 0.000 1.408 1185 E N 0.160 120.370 120.200 0.017 0.000 2.187 1185 E HA 0.357 4.707 4.350 0.000 0.000 0.268 1185 E C -0.264 176.339 176.600 0.005 0.000 0.896 1185 E CA -0.650 55.758 56.400 0.012 0.000 0.766 1185 E CB 1.740 31.455 29.700 0.025 0.000 1.142 1185 E HN 0.041 nan 8.360 nan 0.000 0.408 1186 I N 3.140 123.700 120.570 -0.017 0.000 2.329 1186 I HA 0.086 4.256 4.170 0.000 0.000 0.295 1186 I C 0.036 176.134 176.117 -0.032 0.000 1.109 1186 I CA 0.050 61.324 61.300 -0.044 0.000 1.297 1186 I CB -0.080 37.884 38.000 -0.060 0.000 1.433 1186 I HN 0.503 nan 8.210 nan 0.000 0.509 1187 D N 4.123 124.524 120.400 0.002 0.000 2.193 1187 D HA 0.146 4.787 4.640 0.000 0.000 0.244 1187 D C 1.131 177.455 176.300 0.041 0.000 1.064 1187 D CA -0.225 53.795 54.000 0.034 0.000 0.845 1187 D CB 1.758 42.668 40.800 0.183 0.000 1.148 1187 D HN 0.513 nan 8.370 nan 0.000 0.464 1188 S N 2.770 118.396 115.700 -0.122 0.000 2.481 1188 S HA -0.031 4.440 4.470 0.000 0.000 0.231 1188 S C 0.767 175.446 174.600 0.132 0.000 0.996 1188 S CA 0.225 58.386 58.200 -0.066 0.000 0.942 1188 S CB -0.205 62.821 63.200 -0.291 0.000 0.768 1188 S HN 0.272 nan 8.310 nan 0.000 0.520 1189 F N 1.895 121.916 119.950 0.119 0.000 2.385 1189 F HA 0.539 5.066 4.527 0.000 0.000 0.336 1189 F C 0.186 176.115 175.800 0.215 0.000 1.100 1189 F CA -2.314 55.687 58.000 0.002 0.000 1.116 1189 F CB 0.984 39.681 39.000 -0.506 0.000 1.166 1189 F HN -0.186 nan 8.300 nan 0.000 0.511 1190 V N 3.968 124.002 119.914 0.200 0.000 2.432 1190 V HA 0.216 4.336 4.120 0.000 0.000 0.271 1190 V C 0.114 176.342 176.094 0.224 0.000 1.046 1190 V CA -0.937 61.366 62.300 0.005 0.000 0.945 1190 V CB 0.451 32.014 31.823 -0.433 0.000 0.992 1190 V HN 0.602 nan 8.190 nan 0.000 0.471 1191 K N 2.597 123.145 120.400 0.247 0.000 2.098 1191 K HA 0.433 4.753 4.320 0.000 0.000 0.261 1191 K C 0.225 176.814 176.600 -0.019 0.000 0.987 1191 K CA -0.410 55.943 56.287 0.110 0.000 0.916 1191 K CB 1.366 33.880 32.500 0.023 0.000 1.039 1191 K HN 0.581 nan 8.250 nan 0.000 0.455 1192 S N 0.569 116.224 115.700 -0.076 0.000 2.525 1192 S HA 0.272 4.742 4.470 0.000 0.000 0.285 1192 S C 1.059 175.586 174.600 -0.122 0.000 1.283 1192 S CA 1.129 59.271 58.200 -0.096 0.000 1.072 1192 S CB -0.358 62.787 63.200 -0.092 0.000 0.867 1192 S HN 0.853 nan 8.310 nan 0.000 0.492 1193 G N 4.321 113.025 108.800 -0.159 0.000 2.238 1193 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 1193 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 1193 G C -0.273 174.353 174.900 -0.457 0.000 0.996 1193 G CA -0.080 44.860 45.100 -0.268 0.000 0.632 1193 G HN 0.679 nan 8.290 nan 0.000 0.503 1194 D N 0.729 120.982 120.400 -0.246 0.000 2.472 1194 D HA 0.455 5.095 4.640 0.000 0.000 0.237 1194 D C 0.352 176.512 176.300 -0.232 0.000 1.141 1194 D CA 0.371 54.281 54.000 -0.151 0.000 0.875 1194 D CB 0.205 41.077 40.800 0.120 0.000 1.192 1194 D HN 0.085 nan 8.370 nan 0.000 0.450 1195 F N 1.827 121.861 119.950 0.141 0.000 2.394 1195 F HA 0.444 4.971 4.527 0.000 0.000 0.340 1195 F C 0.862 176.811 175.800 0.248 0.000 1.105 1195 F CA -0.736 57.329 58.000 0.109 0.000 1.124 1195 F CB 0.489 39.475 39.000 -0.023 0.000 1.145 1195 F HN 0.180 nan 8.300 nan 0.000 0.505 1196 I N -0.987 119.845 120.570 0.437 0.000 3.354 1196 I HA 0.666 4.836 4.170 0.000 0.000 0.316 1196 I C -1.698 174.700 176.117 0.469 0.000 1.182 1196 I CA -1.313 60.269 61.300 0.469 0.000 0.942 1196 I CB 2.708 40.937 38.000 0.381 0.000 1.299 1196 I HN 0.318 nan 8.210 nan 0.000 0.473 1197 K N 2.011 122.684 120.400 0.454 0.000 2.463 1197 K HA 0.572 4.892 4.320 0.000 0.000 0.255 1197 K C -1.603 175.193 176.600 0.327 0.000 0.942 1197 K CA -0.638 55.862 56.287 0.355 0.000 0.814 1197 K CB 2.429 35.153 32.500 0.374 0.000 1.122 1197 K HN 0.499 nan 8.250 nan 0.000 0.425 1198 L N 3.966 125.296 121.223 0.178 0.000 2.289 1198 L HA 0.438 4.778 4.340 0.000 0.000 0.285 1198 L C -1.513 175.439 176.870 0.138 0.000 1.049 1198 L CA 0.018 55.009 54.840 0.251 0.000 0.804 1198 L CB 0.223 42.405 42.059 0.206 0.000 1.195 1198 L HN 0.460 nan 8.230 nan 0.000 0.428 1199 Y N 3.391 123.860 120.300 0.282 0.000 2.570 1199 Y HA 0.690 5.240 4.550 0.000 0.000 0.345 1199 Y C -0.236 175.759 175.900 0.159 0.000 1.014 1199 Y CA -0.894 57.332 58.100 0.209 0.000 1.063 1199 Y CB 2.076 40.624 38.460 0.147 0.000 1.272 1199 Y HN 0.469 nan 8.280 nan 0.000 0.477 1200 V N -0.973 119.055 119.914 0.189 0.000 2.604 1200 V HA 0.680 4.800 4.120 0.000 0.000 0.305 1200 V C -0.610 175.538 176.094 0.091 0.000 1.043 1200 V CA -0.652 61.564 62.300 -0.140 0.000 0.888 1200 V CB 1.680 33.242 31.823 -0.435 0.000 0.995 1200 V HN 0.708 nan 8.190 nan 0.000 0.429 1201 S N 4.921 120.636 115.700 0.025 0.000 2.399 1201 S HA 0.562 5.032 4.470 0.000 0.000 0.301 1201 S C -1.031 173.663 174.600 0.157 0.000 1.093 1201 S CA -0.062 58.197 58.200 0.098 0.000 1.077 1201 S CB -0.144 63.061 63.200 0.009 0.000 0.980 1201 S HN 0.801 nan 8.310 nan 0.000 0.494 1202 Y N 3.828 124.187 120.300 0.099 0.000 2.327 1202 Y HA 0.335 4.886 4.550 0.000 0.000 0.325 1202 Y C 0.192 176.149 175.900 0.095 0.000 0.999 1202 Y CA -0.726 57.391 58.100 0.029 0.000 1.195 1202 Y CB 0.791 39.188 38.460 -0.106 0.000 1.132 1202 Y HN 0.793 nan 8.280 nan 0.000 0.455 1203 N N 4.134 122.778 118.700 -0.093 0.000 2.753 1203 N HA -0.241 4.499 4.740 0.000 0.000 0.252 1203 N C -0.659 174.873 175.510 0.036 0.000 1.071 1203 N CA 1.072 54.100 53.050 -0.036 0.000 0.690 1203 N CB -1.078 37.424 38.487 0.026 0.000 0.906 1203 N HN 0.790 nan 8.380 nan 0.000 0.552 1204 N N -1.426 117.280 118.700 0.009 0.000 2.661 1204 N HA -0.234 4.506 4.740 0.000 0.000 0.249 1204 N C -1.257 174.264 175.510 0.018 0.000 1.142 1204 N CA 1.647 54.701 53.050 0.007 0.000 0.727 1204 N CB -1.118 37.365 38.487 -0.006 0.000 1.099 1204 N HN 0.732 nan 8.380 nan 0.000 0.558 1205 N N 0.707 119.448 118.700 0.067 0.000 2.240 1205 N HA 0.331 5.071 4.740 0.000 0.000 0.302 1205 N C -0.529 174.950 175.510 -0.053 0.000 1.106 1205 N CA -0.440 52.603 53.050 -0.012 0.000 0.778 1205 N CB 1.373 39.870 38.487 0.016 0.000 1.431 1205 N HN 0.086 nan 8.380 nan 0.000 0.479 1206 E N 0.715 120.789 120.200 -0.209 0.000 2.151 1206 E HA 0.333 4.683 4.350 0.000 0.000 0.275 1206 E C -1.028 175.475 176.600 -0.162 0.000 0.936 1206 E CA -0.541 55.812 56.400 -0.078 0.000 0.777 1206 E CB 1.022 30.647 29.700 -0.124 0.000 1.108 1206 E HN 0.460 nan 8.360 nan 0.000 0.401 1207 H N 1.365 120.594 119.070 0.265 0.000 2.505 1207 H HA 0.245 4.801 4.556 0.000 0.000 0.338 1207 H C -0.168 175.257 175.328 0.161 0.000 1.057 1207 H CA -0.836 55.340 56.048 0.213 0.000 1.202 1207 H CB 0.938 30.752 29.762 0.087 0.000 1.466 1207 H HN 0.355 nan 8.280 nan 0.000 0.499 1208 I N 3.591 124.210 120.570 0.081 0.000 2.648 1208 I HA -0.021 4.149 4.170 0.000 0.000 0.284 1208 I C -0.148 175.931 176.117 -0.063 0.000 1.153 1208 I CA 0.154 61.261 61.300 -0.321 0.000 1.426 1208 I CB 0.473 38.275 38.000 -0.329 0.000 1.381 1208 I HN 0.352 nan 8.210 nan 0.000 0.571 1209 V N 7.003 126.879 119.914 -0.063 0.000 2.472 1209 V HA 0.861 4.981 4.120 0.000 0.000 0.290 1209 V C 0.548 176.684 176.094 0.070 0.000 1.037 1209 V CA -0.065 62.273 62.300 0.064 0.000 0.908 1209 V CB 1.092 32.996 31.823 0.135 0.000 0.985 1209 V HN 1.030 nan 8.190 nan 0.000 0.454 1210 G N 2.957 111.820 108.800 0.105 0.000 2.427 1210 G HA2 0.452 4.412 3.960 0.000 0.000 0.306 1210 G HA3 0.452 4.412 3.960 0.000 0.000 0.306 1210 G C -2.355 172.647 174.900 0.169 0.000 1.280 1210 G CA -0.494 44.688 45.100 0.137 0.000 0.837 1210 G HN 0.542 nan 8.290 nan 0.000 0.482 1211 Y N 2.008 122.316 120.300 0.014 0.000 2.346 1211 Y HA 0.663 5.213 4.550 0.000 0.000 0.332 1211 Y C -2.465 173.308 175.900 -0.211 0.000 0.985 1211 Y CA -2.660 55.407 58.100 -0.056 0.000 1.112 1211 Y CB 2.740 41.235 38.460 0.058 0.000 1.170 1211 Y HN 0.435 nan 8.280 nan 0.000 0.447 1212 P HA 0.133 nan 4.420 nan 0.000 0.278 1212 P C -0.956 175.672 177.300 -1.121 0.000 1.238 1212 P CA -0.493 62.001 63.100 -1.011 0.000 0.794 1212 P CB 1.493 32.395 31.700 -1.331 0.000 0.955 1213 K N 2.450 122.343 120.400 -0.844 0.000 2.524 1213 K HA -0.100 4.220 4.320 0.000 0.000 0.279 1213 K C 0.227 176.611 176.600 -0.360 0.000 0.993 1213 K CA 0.589 56.591 56.287 -0.475 0.000 1.030 1213 K CB -0.396 31.949 32.500 -0.258 0.000 0.891 1213 K HN 0.467 nan 8.250 nan 0.000 0.488 1214 D N 1.188 121.473 120.400 -0.191 0.000 3.077 1214 D HA -0.152 4.488 4.640 0.000 0.000 0.217 1214 D C 0.314 176.525 176.300 -0.150 0.000 1.162 1214 D CA 1.346 55.292 54.000 -0.091 0.000 0.943 1214 D CB -1.465 39.297 40.800 -0.063 0.000 1.122 1214 D HN 0.812 nan 8.370 nan 0.000 0.413 1215 G N 0.645 109.190 108.800 -0.425 0.000 2.559 1215 G HA2 0.117 4.077 3.960 0.000 0.000 0.235 1215 G HA3 0.117 4.077 3.960 0.000 0.000 0.235 1215 G C 0.430 175.373 174.900 0.072 0.000 1.266 1215 G CA 0.016 44.926 45.100 -0.317 0.000 0.847 1215 G HN 0.219 nan 8.290 nan 0.000 0.583 1216 N N 0.114 118.816 118.700 0.004 0.000 2.412 1216 N HA 0.379 5.119 4.740 0.000 0.000 0.254 1216 N C -0.062 175.412 175.510 -0.060 0.000 1.232 1216 N CA 0.913 53.933 53.050 -0.050 0.000 0.880 1216 N CB 0.699 39.113 38.487 -0.121 0.000 1.076 1216 N HN 0.825 nan 8.380 nan 0.000 0.458 1217 A N 2.462 125.182 122.820 -0.168 0.000 2.594 1217 A HA 0.554 4.874 4.320 0.000 0.000 0.295 1217 A C -1.329 176.051 177.584 -0.339 0.000 1.071 1217 A CA -0.729 51.159 52.037 -0.249 0.000 0.685 1217 A CB 0.483 19.411 19.000 -0.120 0.000 1.285 1217 A HN 0.498 nan 8.150 nan 0.000 0.405 1218 F N 1.869 121.702 119.950 -0.194 0.000 2.472 1218 F HA 0.280 4.807 4.527 0.000 0.000 0.364 1218 F C 1.429 177.094 175.800 -0.226 0.000 1.090 1218 F CA 0.724 58.569 58.000 -0.258 0.000 1.188 1218 F CB 0.413 39.062 39.000 -0.585 0.000 1.105 1218 F HN 0.774 nan 8.300 nan 0.000 0.536 1219 N N 3.316 122.024 118.700 0.013 0.000 2.708 1219 N HA -0.334 4.406 4.740 0.000 0.000 0.251 1219 N C 0.186 175.666 175.510 -0.049 0.000 1.017 1219 N CA 1.098 54.133 53.050 -0.024 0.000 0.742 1219 N CB -0.975 37.492 38.487 -0.034 0.000 0.943 1219 N HN 0.706 nan 8.380 nan 0.000 0.539 1220 N N -2.514 116.157 118.700 -0.048 0.000 2.765 1220 N HA -0.254 4.486 4.740 0.000 0.000 0.248 1220 N C 0.475 175.955 175.510 -0.050 0.000 1.063 1220 N CA 1.656 54.683 53.050 -0.038 0.000 0.862 1220 N CB -1.109 37.365 38.487 -0.022 0.000 1.145 1220 N HN 0.582 nan 8.380 nan 0.000 0.581 1221 L N -0.708 120.470 121.223 -0.075 0.000 2.600 1221 L HA 0.156 4.496 4.340 0.000 0.000 0.213 1221 L C -0.285 176.535 176.870 -0.084 0.000 1.045 1221 L CA 0.137 54.930 54.840 -0.079 0.000 0.863 1221 L CB 0.137 42.131 42.059 -0.109 0.000 1.189 1221 L HN -0.133 nan 8.230 nan 0.000 0.484 1222 D N 1.604 121.948 120.400 -0.093 0.000 2.411 1222 D HA 0.264 4.904 4.640 0.000 0.000 0.225 1222 D C -0.427 175.826 176.300 -0.079 0.000 1.156 1222 D CA -0.245 53.724 54.000 -0.051 0.000 0.874 1222 D CB 0.617 41.370 40.800 -0.079 0.000 1.034 1222 D HN -0.113 nan 8.370 nan 0.000 0.502 1223 R N 2.085 122.458 120.500 -0.213 0.000 2.316 1223 R HA 0.335 4.675 4.340 0.000 0.000 0.314 1223 R C -0.012 176.154 176.300 -0.224 0.000 1.069 1223 R CA -0.297 55.513 56.100 -0.483 0.000 0.959 1223 R CB 0.254 29.805 30.300 -1.248 0.000 0.987 1223 R HN 0.452 nan 8.270 nan 0.000 0.446 1224 I N 4.553 125.072 120.570 -0.086 0.000 2.517 1224 I HA 0.014 4.184 4.170 0.000 0.000 0.285 1224 I C 0.345 176.562 176.117 0.166 0.000 1.106 1224 I CA 0.001 61.336 61.300 0.058 0.000 1.402 1224 I CB 0.257 38.237 38.000 -0.032 0.000 1.399 1224 I HN 0.324 nan 8.210 nan 0.000 0.535 1225 L N 7.158 128.488 121.223 0.179 0.000 2.439 1225 L HA 0.310 4.650 4.340 0.000 0.000 0.269 1225 L C 0.310 177.301 176.870 0.201 0.000 1.179 1225 L CA -0.326 54.630 54.840 0.192 0.000 0.828 1225 L CB 0.130 42.286 42.059 0.161 0.000 1.106 1225 L HN 0.534 nan 8.230 nan 0.000 0.467 1226 R N 1.833 122.431 120.500 0.164 0.000 2.686 1226 R HA 0.564 4.904 4.340 0.000 0.000 0.286 1226 R C -1.209 175.174 176.300 0.138 0.000 0.969 1226 R CA -0.859 55.336 56.100 0.158 0.000 0.898 1226 R CB 2.071 32.451 30.300 0.132 0.000 1.183 1226 R HN 0.270 nan 8.270 nan 0.000 0.456 1227 V N 1.273 121.253 119.914 0.110 0.000 2.334 1227 V HA 0.394 4.515 4.120 0.000 0.000 0.281 1227 V C 1.037 177.183 176.094 0.086 0.000 1.016 1227 V CA -0.064 62.279 62.300 0.072 0.000 0.832 1227 V CB 1.176 32.982 31.823 -0.030 0.000 0.999 1227 V HN 1.007 nan 8.190 nan 0.000 0.439 1228 G N 3.916 112.809 108.800 0.155 0.000 2.198 1228 G HA2 -0.321 3.639 3.960 0.000 0.000 0.257 1228 G HA3 -0.321 3.639 3.960 0.000 0.000 0.257 1228 G C -0.097 174.891 174.900 0.146 0.000 1.042 1228 G CA 0.254 45.468 45.100 0.189 0.000 0.791 1228 G HN 0.910 nan 8.290 nan 0.000 0.502 1229 Y N 1.326 121.645 120.300 0.031 0.000 2.610 1229 Y HA 0.354 4.904 4.550 0.000 0.000 0.332 1229 Y C 1.058 176.960 175.900 0.003 0.000 1.201 1229 Y CA 0.742 58.845 58.100 0.005 0.000 1.465 1229 Y CB 0.720 39.169 38.460 -0.018 0.000 1.283 1229 Y HN 0.380 nan 8.280 nan 0.000 0.563 1230 N N 2.567 121.014 118.700 -0.422 0.000 2.381 1230 N HA 0.221 4.961 4.740 0.000 0.000 0.257 1230 N C -1.178 174.139 175.510 -0.322 0.000 1.409 1230 N CA -0.045 52.866 53.050 -0.232 0.000 0.836 1230 N CB -0.181 38.241 38.487 -0.109 0.000 1.384 1230 N HN 0.567 nan 8.380 nan 0.000 0.490 1231 A N 1.986 124.432 122.820 -0.623 0.000 2.522 1231 A HA 0.361 4.681 4.320 0.000 0.000 0.256 1231 A C -1.855 175.661 177.584 -0.113 0.000 1.086 1231 A CA -0.715 51.111 52.037 -0.352 0.000 0.763 1231 A CB -0.253 18.544 19.000 -0.337 0.000 1.024 1231 A HN 0.328 nan 8.150 nan 0.000 0.502 1232 P HA 0.179 nan 4.420 nan 0.000 0.268 1232 P C 0.928 178.220 177.300 -0.014 0.000 1.204 1232 P CA 1.318 64.397 63.100 -0.036 0.000 0.768 1232 P CB 0.858 32.538 31.700 -0.034 0.000 0.842 1233 G N 2.551 111.349 108.800 -0.004 0.000 2.205 1233 G HA2 -0.200 3.760 3.960 0.000 0.000 0.261 1233 G HA3 -0.200 3.760 3.960 0.000 0.000 0.261 1233 G C 0.095 174.997 174.900 0.003 0.000 0.980 1233 G CA -0.286 44.815 45.100 0.001 0.000 0.632 1233 G HN 0.519 nan 8.290 nan 0.000 0.533 1234 I N 1.940 122.519 120.570 0.015 0.000 2.330 1234 I HA 0.339 4.509 4.170 0.000 0.000 0.289 1234 I C -1.983 174.108 176.117 -0.043 0.000 1.001 1234 I CA -2.982 58.320 61.300 0.004 0.000 1.193 1234 I CB 0.922 38.977 38.000 0.092 0.000 1.345 1234 I HN -0.154 nan 8.210 nan 0.000 0.461 1235 P HA 0.115 nan 4.420 nan 0.000 0.265 1235 P C -0.624 176.418 177.300 -0.430 0.000 1.193 1235 P CA -0.214 62.758 63.100 -0.214 0.000 0.765 1235 P CB 0.582 32.161 31.700 -0.201 0.000 0.823 1236 L N 5.328 126.380 121.223 -0.285 0.000 2.316 1236 L HA 0.387 4.727 4.340 0.000 0.000 0.280 1236 L C -1.352 175.436 176.870 -0.135 0.000 1.006 1236 L CA -0.803 53.873 54.840 -0.273 0.000 0.836 1236 L CB 0.153 42.194 42.059 -0.030 0.000 1.221 1236 L HN 0.189 nan 8.230 nan 0.000 0.418 1237 Y N 4.769 125.089 120.300 0.033 0.000 2.393 1237 Y HA 0.337 4.888 4.550 0.000 0.000 0.338 1237 Y C 1.008 176.981 175.900 0.122 0.000 1.029 1237 Y CA -0.581 57.579 58.100 0.099 0.000 1.239 1237 Y CB 0.661 39.201 38.460 0.134 0.000 1.170 1237 Y HN 0.648 nan 8.280 nan 0.000 0.515 1238 K N 0.669 121.250 120.400 0.301 0.000 2.554 1238 K HA 0.168 4.488 4.320 0.000 0.000 0.211 1238 K C 0.027 176.787 176.600 0.267 0.000 1.226 1238 K CA -0.548 55.880 56.287 0.234 0.000 1.025 1238 K CB 0.504 33.104 32.500 0.167 0.000 1.021 1238 K HN 0.322 nan 8.250 nan 0.000 0.600 1239 K N 2.571 123.117 120.400 0.243 0.000 2.336 1239 K HA 0.163 4.483 4.320 0.000 0.000 0.290 1239 K C -0.643 176.068 176.600 0.183 0.000 1.067 1239 K CA -0.023 56.288 56.287 0.040 0.000 0.962 1239 K CB 0.346 32.641 32.500 -0.343 0.000 1.008 1239 K HN 0.154 nan 8.250 nan 0.000 0.467 1240 M N 2.827 122.567 119.600 0.233 0.000 2.598 1240 M HA 0.252 4.732 4.480 0.000 0.000 0.317 1240 M C -0.469 176.055 176.300 0.372 0.000 1.201 1240 M CA -0.676 54.796 55.300 0.287 0.000 0.971 1240 M CB 1.897 34.621 32.600 0.205 0.000 1.657 1240 M HN 0.550 nan 8.290 nan 0.000 0.470 1241 E N 1.095 121.509 120.200 0.357 0.000 2.218 1241 E HA 0.579 4.929 4.350 0.000 0.000 0.263 1241 E C -1.566 175.085 176.600 0.085 0.000 0.879 1241 E CA -0.626 55.919 56.400 0.243 0.000 0.762 1241 E CB 1.697 31.625 29.700 0.380 0.000 1.166 1241 E HN 0.775 nan 8.360 nan 0.000 0.415 1242 A N 4.299 127.115 122.820 -0.005 0.000 2.310 1242 A HA 0.525 4.845 4.320 0.000 0.000 0.300 1242 A C -0.198 177.337 177.584 -0.083 0.000 1.269 1242 A CA -0.379 51.622 52.037 -0.060 0.000 0.909 1242 A CB 0.075 19.004 19.000 -0.119 0.000 1.144 1242 A HN 0.506 nan 8.150 nan 0.000 0.540 1243 V N -0.211 119.669 119.914 -0.057 0.000 3.141 1243 V HA 0.860 4.980 4.120 0.000 0.000 0.312 1243 V C -0.618 175.447 176.094 -0.048 0.000 1.157 1243 V CA -1.187 61.082 62.300 -0.052 0.000 1.041 1243 V CB 2.073 33.889 31.823 -0.012 0.000 1.071 1243 V HN 0.647 nan 8.190 nan 0.000 0.441 1244 K N 1.371 121.745 120.400 -0.043 0.000 2.484 1244 K HA 0.616 4.936 4.320 0.000 0.000 0.226 1244 K C -0.347 176.237 176.600 -0.027 0.000 1.031 1244 K CA -0.233 56.032 56.287 -0.037 0.000 1.026 1244 K CB 0.279 32.755 32.500 -0.040 0.000 1.412 1244 K HN 0.809 nan 8.250 nan 0.000 0.492 1245 L N 3.108 124.317 121.223 -0.023 0.000 2.607 1245 L HA 0.289 4.629 4.340 0.000 0.000 0.228 1245 L C 0.045 176.900 176.870 -0.024 0.000 1.123 1245 L CA -0.104 54.729 54.840 -0.011 0.000 0.890 1245 L CB -0.144 41.918 42.059 0.005 0.000 1.103 1245 L HN 0.553 nan 8.230 nan 0.000 0.468 1246 R N -3.280 117.198 120.500 -0.037 0.000 2.829 1246 R HA 0.222 4.562 4.340 0.000 0.000 0.283 1246 R C -1.165 175.108 176.300 -0.045 0.000 1.013 1246 R CA -1.036 55.039 56.100 -0.041 0.000 0.848 1246 R CB -0.122 30.148 30.300 -0.050 0.000 1.291 1246 R HN -0.173 nan 8.270 nan 0.000 0.496 1247 D N 0.231 120.606 120.400 -0.042 0.000 2.927 1247 D HA -0.132 4.508 4.640 0.000 0.000 0.236 1247 D C 0.129 176.408 176.300 -0.035 0.000 1.163 1247 D CA 0.577 54.553 54.000 -0.039 0.000 0.801 1247 D CB 0.061 40.830 40.800 -0.051 0.000 0.975 1247 D HN 0.575 nan 8.370 nan 0.000 0.413 1248 L N 1.967 123.167 121.223 -0.038 0.000 2.265 1248 L HA -0.056 4.284 4.340 0.000 0.000 0.215 1248 L C 2.160 179.002 176.870 -0.047 0.000 1.117 1248 L CA 1.747 56.563 54.840 -0.040 0.000 0.782 1248 L CB -0.084 41.939 42.059 -0.059 0.000 0.914 1248 L HN 0.239 nan 8.230 nan 0.000 0.441 1249 K N -1.084 119.283 120.400 -0.056 0.000 2.305 1249 K HA 0.038 4.358 4.320 0.000 0.000 0.199 1249 K C 0.642 177.150 176.600 -0.153 0.000 1.047 1249 K CA 0.826 57.080 56.287 -0.054 0.000 0.976 1249 K CB -0.163 32.360 32.500 0.038 0.000 0.765 1249 K HN 0.488 nan 8.250 nan 0.000 0.474 1250 T N -1.362 113.117 114.554 -0.125 0.000 2.882 1250 T HA 0.180 4.530 4.350 0.000 0.000 0.287 1250 T C -0.135 174.513 174.700 -0.087 0.000 0.992 1250 T CA -0.715 61.287 62.100 -0.163 0.000 1.076 1250 T CB 0.579 69.439 68.868 -0.014 0.000 0.961 1250 T HN -0.029 nan 8.240 nan 0.000 0.490 1251 Y N 2.786 123.190 120.300 0.174 0.000 2.724 1251 Y HA 0.380 4.930 4.550 0.000 0.000 0.354 1251 Y C 1.292 177.337 175.900 0.241 0.000 1.270 1251 Y CA -0.991 57.200 58.100 0.151 0.000 1.902 1251 Y CB -1.179 37.338 38.460 0.095 0.000 1.981 1251 Y HN 0.865 nan 8.280 nan 0.000 0.428 1252 S N -0.728 115.106 115.700 0.223 0.000 2.689 1252 S HA 0.937 5.407 4.470 0.000 0.000 0.306 1252 S C -0.770 173.875 174.600 0.076 0.000 1.104 1252 S CA -0.791 57.475 58.200 0.110 0.000 0.973 1252 S CB 2.338 65.467 63.200 -0.118 0.000 1.121 1252 S HN 0.026 nan 8.310 nan 0.000 0.523 1253 V N 0.949 120.923 119.914 0.100 0.000 3.007 1253 V HA 0.573 4.693 4.120 0.000 0.000 0.311 1253 V C -1.249 174.915 176.094 0.116 0.000 1.120 1253 V CA -0.748 61.577 62.300 0.042 0.000 0.980 1253 V CB 2.222 33.973 31.823 -0.121 0.000 1.033 1253 V HN 0.960 nan 8.190 nan 0.000 0.429 1254 Q N 2.218 122.043 119.800 0.042 0.000 2.345 1254 Q HA 0.820 5.160 4.340 0.000 0.000 0.268 1254 Q C -1.478 174.543 176.000 0.036 0.000 1.054 1254 Q CA -0.333 55.502 55.803 0.053 0.000 0.835 1254 Q CB 2.553 31.270 28.738 -0.035 0.000 1.339 1254 Q HN 0.601 nan 8.270 nan 0.000 0.447 1255 L N 1.083 122.331 121.223 0.042 0.000 2.381 1255 L HA 0.600 4.940 4.340 0.000 0.000 0.274 1255 L C -0.675 176.208 176.870 0.021 0.000 0.988 1255 L CA -0.756 54.100 54.840 0.027 0.000 0.824 1255 L CB 1.938 43.999 42.059 0.004 0.000 1.263 1255 L HN 0.361 nan 8.230 nan 0.000 0.410 1256 K N 2.960 123.390 120.400 0.049 0.000 2.244 1256 K HA 0.608 4.928 4.320 0.000 0.000 0.260 1256 K C -1.464 175.119 176.600 -0.030 0.000 0.951 1256 K CA -0.753 55.535 56.287 0.000 0.000 0.826 1256 K CB 1.942 34.462 32.500 0.033 0.000 1.108 1256 K HN 0.394 nan 8.250 nan 0.000 0.433 1257 L N 4.583 125.744 121.223 -0.104 0.000 2.325 1257 L HA 0.471 4.811 4.340 0.000 0.000 0.278 1257 L C -1.697 175.051 176.870 -0.203 0.000 1.023 1257 L CA -0.200 54.620 54.840 -0.032 0.000 0.811 1257 L CB 0.836 42.926 42.059 0.053 0.000 1.249 1257 L HN 0.585 nan 8.230 nan 0.000 0.431 1258 Y N 1.454 121.784 120.300 0.050 0.000 2.570 1258 Y HA 0.490 5.040 4.550 0.000 0.000 0.345 1258 Y C -0.202 175.633 175.900 -0.108 0.000 1.014 1258 Y CA -0.924 57.158 58.100 -0.031 0.000 1.063 1258 Y CB 1.469 39.883 38.460 -0.076 0.000 1.272 1258 Y HN 0.741 nan 8.280 nan 0.000 0.477 1259 D N -1.200 119.132 120.400 -0.112 0.000 2.506 1259 D HA 0.101 4.741 4.640 0.000 0.000 0.272 1259 D C 0.126 176.233 176.300 -0.321 0.000 1.214 1259 D CA -0.415 53.201 54.000 -0.639 0.000 1.067 1259 D CB 0.500 40.723 40.800 -0.961 0.000 1.117 1259 D HN 0.423 nan 8.370 nan 0.000 0.578 1260 D N -0.992 119.215 120.400 -0.322 0.000 2.351 1260 D HA -0.093 4.548 4.640 0.000 0.000 0.216 1260 D C 0.825 177.094 176.300 -0.052 0.000 0.968 1260 D CA 0.873 54.861 54.000 -0.021 0.000 0.899 1260 D CB 0.027 40.908 40.800 0.135 0.000 0.907 1260 D HN 0.436 nan 8.370 nan 0.000 0.514 1261 K N 0.294 120.635 120.400 -0.099 0.000 2.397 1261 K HA 0.077 4.397 4.320 0.000 0.000 0.202 1261 K C -0.000 176.559 176.600 -0.068 0.000 1.022 1261 K CA -0.238 56.011 56.287 -0.065 0.000 1.141 1261 K CB 0.506 32.974 32.500 -0.052 0.000 0.857 1261 K HN -0.115 nan 8.250 nan 0.000 0.514 1262 N N 0.393 119.044 118.700 -0.083 0.000 2.747 1262 N HA -0.167 4.573 4.740 0.000 0.000 0.249 1262 N C -0.735 174.834 175.510 0.098 0.000 1.107 1262 N CA 0.982 53.977 53.050 -0.091 0.000 0.707 1262 N CB -1.165 37.193 38.487 -0.215 0.000 1.054 1262 N HN 0.342 nan 8.380 nan 0.000 0.555 1263 A N -0.040 122.841 122.820 0.101 0.000 2.303 1263 A HA 0.586 4.906 4.320 0.000 0.000 0.317 1263 A C 0.594 178.257 177.584 0.131 0.000 1.149 1263 A CA -0.145 51.954 52.037 0.103 0.000 0.822 1263 A CB 1.162 20.166 19.000 0.006 0.000 1.131 1263 A HN 0.209 nan 8.150 nan 0.000 0.493 1264 S N 1.094 116.815 115.700 0.034 0.000 2.481 1264 S HA 0.284 4.754 4.470 0.000 0.000 0.276 1264 S C 0.650 175.208 174.600 -0.070 0.000 1.247 1264 S CA -0.480 57.626 58.200 -0.157 0.000 1.053 1264 S CB -0.386 62.727 63.200 -0.145 0.000 0.925 1264 S HN 0.541 nan 8.310 nan 0.000 0.491 1265 L N 4.983 126.151 121.223 -0.091 0.000 2.592 1265 L HA 0.366 4.706 4.340 0.000 0.000 0.227 1265 L C 1.274 178.148 176.870 0.007 0.000 1.127 1265 L CA 0.291 55.116 54.840 -0.025 0.000 0.884 1265 L CB -0.821 41.241 42.059 0.005 0.000 1.065 1265 L HN 0.975 nan 8.230 nan 0.000 0.457 1266 G N 0.064 108.892 108.800 0.047 0.000 2.479 1266 G HA2 -0.100 3.860 3.960 0.000 0.000 0.686 1266 G HA3 -0.100 3.860 3.960 0.000 0.000 0.686 1266 G C -0.971 173.976 174.900 0.078 0.000 1.295 1266 G CA -1.017 44.170 45.100 0.144 0.000 0.922 1266 G HN -0.086 nan 8.290 nan 0.000 0.582 1267 L N -0.153 121.098 121.223 0.047 0.000 2.399 1267 L HA 0.527 4.867 4.340 0.000 0.000 0.266 1267 L C 1.057 177.970 176.870 0.072 0.000 1.114 1267 L CA -1.033 53.784 54.840 -0.038 0.000 0.804 1267 L CB 1.370 43.277 42.059 -0.253 0.000 1.146 1267 L HN 0.469 nan 8.230 nan 0.000 0.451 1268 V N 1.684 121.628 119.914 0.049 0.000 2.555 1268 V HA 0.572 4.692 4.120 0.000 0.000 0.286 1268 V C 0.696 176.960 176.094 0.285 0.000 1.044 1268 V CA 0.387 62.764 62.300 0.129 0.000 1.026 1268 V CB 0.788 32.600 31.823 -0.019 0.000 0.981 1268 V HN 1.028 nan 8.190 nan 0.000 0.480 1269 G N 3.633 112.662 108.800 0.382 0.000 2.694 1269 G HA2 0.728 4.688 3.960 0.000 0.000 0.246 1269 G HA3 0.728 4.688 3.960 0.000 0.000 0.246 1269 G C -0.582 174.604 174.900 0.477 0.000 1.205 1269 G CA 0.268 45.614 45.100 0.411 0.000 0.891 1269 G HN 0.834 nan 8.290 nan 0.000 0.515 1270 T N -2.862 111.922 114.554 0.382 0.000 2.883 1270 T HA 0.720 5.070 4.350 0.000 0.000 0.296 1270 T C -1.464 173.391 174.700 0.258 0.000 1.117 1270 T CA -0.634 61.654 62.100 0.314 0.000 1.006 1270 T CB 2.359 71.366 68.868 0.233 0.000 1.191 1270 T HN 0.910 nan 8.240 nan 0.000 0.508 1271 H N 1.507 120.609 119.070 0.052 0.000 2.856 1271 H HA 0.366 4.922 4.556 0.000 0.000 0.355 1271 H C -1.243 173.903 175.328 -0.304 0.000 1.079 1271 H CA -0.501 55.445 56.048 -0.171 0.000 1.240 1271 H CB 2.059 31.639 29.762 -0.304 0.000 1.701 1271 H HN 0.785 nan 8.280 nan 0.000 0.527 1272 N N 2.598 120.899 118.700 -0.664 0.000 2.458 1272 N HA 0.351 5.091 4.740 0.000 0.000 0.270 1272 N C -0.190 175.024 175.510 -0.494 0.000 1.102 1272 N CA 0.815 53.612 53.050 -0.422 0.000 0.967 1272 N CB 1.108 39.406 38.487 -0.315 0.000 1.078 1272 N HN 0.903 nan 8.380 nan 0.000 0.471 1273 G N 1.978 110.654 108.800 -0.207 0.000 2.348 1273 G HA2 0.252 4.212 3.960 0.000 0.000 0.296 1273 G HA3 0.252 4.212 3.960 0.000 0.000 0.296 1273 G C -2.017 172.971 174.900 0.146 0.000 1.258 1273 G CA -0.427 44.654 45.100 -0.031 0.000 0.868 1273 G HN 0.505 nan 8.290 nan 0.000 0.488 1274 Q N -0.898 119.052 119.800 0.249 0.000 2.423 1274 Q HA 0.760 5.100 4.340 0.000 0.000 0.278 1274 Q C -0.785 175.253 176.000 0.063 0.000 1.097 1274 Q CA -0.400 55.477 55.803 0.122 0.000 0.809 1274 Q CB 2.788 31.569 28.738 0.072 0.000 1.391 1274 Q HN 0.526 nan 8.270 nan 0.000 0.428 1275 I N 2.161 122.701 120.570 -0.050 0.000 2.437 1275 I HA 0.566 4.736 4.170 0.000 0.000 0.279 1275 I C 0.756 176.851 176.117 -0.038 0.000 1.028 1275 I CA -0.260 60.959 61.300 -0.135 0.000 1.142 1275 I CB 0.845 38.632 38.000 -0.356 0.000 1.266 1275 I HN 0.813 nan 8.210 nan 0.000 0.461 1276 G N 6.133 114.917 108.800 -0.027 0.000 2.561 1276 G HA2 -0.325 3.635 3.960 0.000 0.000 0.289 1276 G HA3 -0.325 3.635 3.960 0.000 0.000 0.289 1276 G C 0.627 175.534 174.900 0.011 0.000 1.169 1276 G CA 0.320 45.419 45.100 -0.002 0.000 0.980 1276 G HN 0.594 nan 8.290 nan 0.000 0.550 1277 N N 2.325 121.036 118.700 0.018 0.000 2.398 1277 N HA 0.110 4.850 4.740 0.000 0.000 0.188 1277 N C 0.042 175.565 175.510 0.023 0.000 1.122 1277 N CA 0.705 53.766 53.050 0.019 0.000 0.866 1277 N CB -0.058 38.439 38.487 0.018 0.000 0.970 1277 N HN 0.513 nan 8.380 nan 0.000 0.462 1278 D N 2.223 122.641 120.400 0.031 0.000 2.400 1278 D HA 0.092 4.732 4.640 0.000 0.000 0.238 1278 D C -1.714 174.599 176.300 0.021 0.000 1.157 1278 D CA -0.798 53.222 54.000 0.033 0.000 0.889 1278 D CB 0.421 41.266 40.800 0.074 0.000 1.199 1278 D HN 0.158 nan 8.370 nan 0.000 0.436 1279 P HA -0.034 nan 4.420 nan 0.000 0.273 1279 P C 0.063 177.373 177.300 0.017 0.000 1.250 1279 P CA -0.551 62.556 63.100 0.011 0.000 0.793 1279 P CB 0.612 32.317 31.700 0.008 0.000 1.011 1280 N N 1.723 120.436 118.700 0.022 0.000 2.454 1280 N HA 0.001 4.741 4.740 0.000 0.000 0.260 1280 N C -0.354 175.180 175.510 0.040 0.000 1.218 1280 N CA 0.490 53.556 53.050 0.026 0.000 0.904 1280 N CB 0.225 38.719 38.487 0.012 0.000 1.065 1280 N HN 0.359 nan 8.380 nan 0.000 0.462 1281 R N 1.265 121.802 120.500 0.061 0.000 2.764 1281 R HA 0.257 4.597 4.340 0.000 0.000 0.270 1281 R C -1.468 174.912 176.300 0.133 0.000 1.014 1281 R CA -0.793 55.379 56.100 0.120 0.000 0.904 1281 R CB 1.243 31.629 30.300 0.144 0.000 1.236 1281 R HN 0.497 nan 8.270 nan 0.000 0.466 1282 D N 2.273 122.787 120.400 0.190 0.000 2.479 1282 D HA 0.243 4.883 4.640 0.000 0.000 0.218 1282 D C -0.261 176.216 176.300 0.296 0.000 1.131 1282 D CA -0.017 54.081 54.000 0.163 0.000 0.916 1282 D CB 0.633 41.508 40.800 0.125 0.000 1.022 1282 D HN 0.243 nan 8.370 nan 0.000 0.515 1283 I N 1.895 122.653 120.570 0.313 0.000 2.519 1283 I HA 0.034 4.204 4.170 0.000 0.000 0.287 1283 I C 0.690 177.045 176.117 0.396 0.000 1.047 1283 I CA -0.602 60.954 61.300 0.427 0.000 1.381 1283 I CB 1.143 39.378 38.000 0.393 0.000 1.417 1283 I HN 0.048 nan 8.210 nan 0.000 0.540 1284 L N 6.703 128.165 121.223 0.399 0.000 2.410 1284 L HA 0.254 4.594 4.340 0.000 0.000 0.273 1284 L C -0.054 176.989 176.870 0.288 0.000 1.144 1284 L CA 0.358 55.394 54.840 0.326 0.000 0.863 1284 L CB -0.005 42.201 42.059 0.244 0.000 1.140 1284 L HN 0.538 nan 8.230 nan 0.000 0.463 1285 I N 1.064 121.800 120.570 0.277 0.000 3.343 1285 I HA 0.891 5.061 4.170 0.000 0.000 0.315 1285 I C -0.543 175.684 176.117 0.183 0.000 1.153 1285 I CA -1.053 60.376 61.300 0.214 0.000 0.952 1285 I CB 1.983 40.134 38.000 0.251 0.000 1.287 1285 I HN 0.429 nan 8.210 nan 0.000 0.472 1286 A N 1.249 124.128 122.820 0.097 0.000 2.330 1286 A HA 0.872 5.192 4.320 0.000 0.000 0.313 1286 A C -0.659 176.980 177.584 0.092 0.000 1.124 1286 A CA -0.368 51.723 52.037 0.091 0.000 0.774 1286 A CB 0.999 20.005 19.000 0.011 0.000 1.198 1286 A HN 0.949 nan 8.150 nan 0.000 0.465 1287 S N 1.375 117.193 115.700 0.197 0.000 2.540 1287 S HA 0.379 4.849 4.470 0.000 0.000 0.275 1287 S C -0.014 174.716 174.600 0.217 0.000 1.123 1287 S CA -0.685 57.614 58.200 0.165 0.000 0.907 1287 S CB 1.106 64.370 63.200 0.107 0.000 1.081 1287 S HN 0.626 nan 8.310 nan 0.000 0.476 1288 N N 2.518 121.353 118.700 0.225 0.000 2.467 1288 N HA 0.004 4.744 4.740 0.000 0.000 0.184 1288 N C 1.211 176.951 175.510 0.384 0.000 1.106 1288 N CA 0.222 53.495 53.050 0.372 0.000 0.892 1288 N CB -0.042 38.631 38.487 0.311 0.000 0.969 1288 N HN 0.819 nan 8.380 nan 0.000 0.454 1289 W N 0.715 122.016 121.300 0.001 0.000 2.392 1289 W HA -0.198 4.462 4.660 0.000 0.000 0.279 1289 W C 0.580 177.071 176.519 -0.046 0.000 1.225 1289 W CA 0.625 57.934 57.345 -0.060 0.000 1.233 1289 W CB -0.016 29.338 29.460 -0.176 0.000 1.122 1289 W HN 0.082 nan 8.180 nan 0.000 0.561 1290 Y N -0.652 119.614 120.300 -0.057 0.000 2.497 1290 Y HA -0.150 4.400 4.550 0.000 0.000 0.292 1290 Y C 1.837 177.540 175.900 -0.328 0.000 1.137 1290 Y CA 1.094 59.047 58.100 -0.245 0.000 1.285 1290 Y CB -1.184 37.110 38.460 -0.277 0.000 0.991 1290 Y HN -0.157 nan 8.280 nan 0.000 0.556 1291 F N -0.151 119.793 119.950 -0.010 0.000 2.546 1291 F HA -0.099 4.428 4.527 0.000 0.000 0.298 1291 F C 1.354 177.022 175.800 -0.219 0.000 1.120 1291 F CA 0.820 58.777 58.000 -0.073 0.000 1.456 1291 F CB -0.228 38.753 39.000 -0.031 0.000 1.088 1291 F HN 0.094 nan 8.300 nan 0.000 0.572 1292 N N -1.057 117.439 118.700 -0.339 0.000 2.238 1292 N HA 0.023 4.763 4.740 0.000 0.000 0.222 1292 N C 0.146 175.013 175.510 -1.071 0.000 1.133 1292 N CA 0.338 52.979 53.050 -0.683 0.000 0.854 1292 N CB 0.048 37.977 38.487 -0.930 0.000 1.041 1292 N HN 0.378 nan 8.380 nan 0.000 0.510 1293 H N -0.522 118.391 119.070 -0.262 0.000 3.109 1293 H HA 0.195 4.751 4.556 0.000 0.000 0.248 1293 H C 1.284 176.540 175.328 -0.121 0.000 1.177 1293 H CA -0.164 55.758 56.048 -0.210 0.000 0.977 1293 H CB 0.280 29.872 29.762 -0.283 0.000 2.165 1293 H HN 0.029 nan 8.280 nan 0.000 0.693 1294 L N 0.366 121.569 121.223 -0.034 0.000 2.642 1294 L HA -0.094 4.246 4.340 0.000 0.000 0.236 1294 L C 1.601 178.458 176.870 -0.021 0.000 1.169 1294 L CA 1.023 55.847 54.840 -0.026 0.000 0.851 1294 L CB -0.049 42.004 42.059 -0.010 0.000 0.968 1294 L HN -0.071 nan 8.230 nan 0.000 0.453 1295 K N -0.863 119.528 120.400 -0.014 0.000 2.358 1295 K HA 0.168 4.488 4.320 0.000 0.000 0.200 1295 K C -0.048 176.547 176.600 -0.008 0.000 1.030 1295 K CA 0.030 56.309 56.287 -0.013 0.000 1.097 1295 K CB 0.207 32.699 32.500 -0.014 0.000 0.862 1295 K HN 0.175 nan 8.250 nan 0.000 0.534 1296 D N 1.358 121.757 120.400 -0.003 0.000 2.362 1296 D HA 0.054 4.694 4.640 0.000 0.000 0.242 1296 D C 1.189 177.476 176.300 -0.023 0.000 1.132 1296 D CA 0.066 54.059 54.000 -0.011 0.000 0.907 1296 D CB 1.153 41.943 40.800 -0.017 0.000 1.195 1296 D HN -0.164 nan 8.370 nan 0.000 0.429 1297 K N 0.499 120.887 120.400 -0.021 0.000 1.991 1297 K HA -0.045 4.275 4.320 0.000 0.000 0.212 1297 K C 0.674 177.252 176.600 -0.036 0.000 1.049 1297 K CA 0.973 57.248 56.287 -0.020 0.000 0.932 1297 K CB 0.017 32.511 32.500 -0.011 0.000 0.717 1297 K HN 0.428 nan 8.250 nan 0.000 0.441 1298 I N 0.473 121.017 120.570 -0.043 0.000 2.562 1298 I HA 0.140 4.310 4.170 0.000 0.000 0.301 1298 I C 0.654 176.726 176.117 -0.075 0.000 1.003 1298 I CA -0.414 60.847 61.300 -0.066 0.000 1.127 1298 I CB 1.959 39.925 38.000 -0.057 0.000 1.304 1298 I HN 0.069 nan 8.210 nan 0.000 0.446 1299 L N 2.249 123.407 121.223 -0.109 0.000 3.112 1299 L HA 0.454 4.794 4.340 0.000 0.000 0.166 1299 L C 1.292 178.119 176.870 -0.073 0.000 1.170 1299 L CA 0.897 55.689 54.840 -0.081 0.000 0.854 1299 L CB 0.893 42.891 42.059 -0.102 0.000 1.424 1299 L HN 0.899 nan 8.230 nan 0.000 0.542 1300 G N -1.252 107.408 108.800 -0.233 0.000 2.738 1300 G HA2 -0.227 3.733 3.960 0.000 0.000 0.195 1300 G HA3 -0.227 3.733 3.960 0.000 0.000 0.195 1300 G C 0.689 175.233 174.900 -0.594 0.000 1.001 1300 G CA 0.164 45.099 45.100 -0.273 0.000 0.759 1300 G HN 0.444 nan 8.290 nan 0.000 0.494 1301 C N 0.935 119.753 119.300 -0.802 0.000 2.780 1301 C HA 0.563 5.023 4.460 0.000 0.000 0.287 1301 C C -0.133 174.562 174.990 -0.491 0.000 1.288 1301 C CA -1.079 57.449 59.018 -0.818 0.000 1.713 1301 C CB -0.833 26.200 27.740 -1.177 0.000 1.955 1301 C HN 0.236 nan 8.230 nan 0.000 0.613 1302 D N 0.763 120.802 120.400 -0.600 0.000 2.198 1302 D HA 0.423 5.063 4.640 0.000 0.000 0.245 1302 D C -0.922 174.992 176.300 -0.643 0.000 1.079 1302 D CA 0.511 54.245 54.000 -0.443 0.000 0.854 1302 D CB 0.870 41.447 40.800 -0.372 0.000 1.148 1302 D HN 0.615 nan 8.370 nan 0.000 0.456 1303 W N 1.443 122.640 121.300 -0.172 0.000 2.915 1303 W HA 0.327 4.987 4.660 0.000 0.000 0.337 1303 W C -0.672 175.855 176.519 0.013 0.000 1.102 1303 W CA -0.969 56.300 57.345 -0.126 0.000 1.224 1303 W CB 0.842 30.253 29.460 -0.081 0.000 1.416 1303 W HN 0.184 nan 8.180 nan 0.000 0.503 1304 Y N 1.850 122.345 120.300 0.326 0.000 2.308 1304 Y HA 0.438 4.988 4.550 0.000 0.000 0.329 1304 Y C -0.278 175.766 175.900 0.239 0.000 1.111 1304 Y CA -1.022 57.266 58.100 0.313 0.000 1.179 1304 Y CB 0.508 39.119 38.460 0.251 0.000 1.201 1304 Y HN 0.120 nan 8.280 nan 0.000 0.483 1305 F N 2.424 122.480 119.950 0.177 0.000 2.332 1305 F HA 0.440 4.967 4.527 0.000 0.000 0.368 1305 F C -0.458 175.429 175.800 0.144 0.000 1.110 1305 F CA -1.158 56.846 58.000 0.007 0.000 1.087 1305 F CB 0.944 39.676 39.000 -0.446 0.000 1.235 1305 F HN 0.054 nan 8.300 nan 0.000 0.470 1306 V N 6.705 126.804 119.914 0.308 0.000 2.328 1306 V HA 0.391 4.511 4.120 0.000 0.000 0.278 1306 V C -2.210 174.220 176.094 0.561 0.000 1.021 1306 V CA -1.664 60.778 62.300 0.237 0.000 0.838 1306 V CB 1.194 32.942 31.823 -0.126 0.000 0.999 1306 V HN 0.446 nan 8.190 nan 0.000 0.447 1307 P HA 0.289 nan 4.420 nan 0.000 0.298 1307 P C -0.116 177.540 177.300 0.594 0.000 1.314 1307 P CA -0.362 63.020 63.100 0.471 0.000 0.854 1307 P CB 1.396 33.299 31.700 0.339 0.000 1.019 1308 T N 2.894 117.636 114.554 0.312 0.000 2.946 1308 T HA 0.044 4.394 4.350 0.000 0.000 0.312 1308 T C 0.006 174.809 174.700 0.172 0.000 1.066 1308 T CA 0.897 62.978 62.100 -0.031 0.000 1.138 1308 T CB -0.212 68.502 68.868 -0.257 0.000 1.014 1308 T HN 0.482 nan 8.240 nan 0.000 0.544 1309 D N 1.151 121.670 120.400 0.199 0.000 2.947 1309 D HA 0.087 4.727 4.640 0.000 0.000 0.224 1309 D C 0.852 177.191 176.300 0.066 0.000 1.230 1309 D CA -0.470 53.576 54.000 0.076 0.000 0.871 1309 D CB 1.580 42.271 40.800 -0.182 0.000 1.671 1309 D HN 0.707 nan 8.370 nan 0.000 0.507 1310 E N 1.574 121.793 120.200 0.031 0.000 2.401 1310 E HA -0.055 4.295 4.350 0.000 0.000 0.199 1310 E C 1.238 177.913 176.600 0.126 0.000 1.023 1310 E CA 0.786 57.239 56.400 0.087 0.000 0.859 1310 E CB -0.093 29.657 29.700 0.082 0.000 0.780 1310 E HN 0.409 nan 8.360 nan 0.000 0.523 1311 G N 0.477 109.300 108.800 0.040 0.000 2.920 1311 G HA2 -0.113 3.847 3.960 0.000 0.000 0.208 1311 G HA3 -0.113 3.847 3.960 0.000 0.000 0.208 1311 G C -0.470 174.433 174.900 0.005 0.000 1.159 1311 G CA -0.239 44.862 45.100 0.002 0.000 0.784 1311 G HN 0.308 nan 8.290 nan 0.000 0.535 1312 W N 1.923 123.154 121.300 -0.114 0.000 3.036 1312 W HA 0.484 5.144 4.660 -0.000 0.000 0.337 1312 W C -1.190 175.432 176.519 0.171 0.000 1.055 1312 W CA -0.848 56.493 57.345 -0.007 0.000 1.248 1312 W CB 1.302 30.786 29.460 0.040 0.000 1.335 1312 W HN 0.037 nan 8.180 nan 0.000 0.446 1313 T N 2.465 117.136 114.554 0.195 0.000 2.879 1313 T HA 0.394 4.744 4.350 0.000 0.000 0.290 1313 T C -0.322 174.434 174.700 0.092 0.000 0.993 1313 T CA -0.748 61.524 62.100 0.286 0.000 0.975 1313 T CB 1.511 70.456 68.868 0.128 0.000 0.981 1313 T HN 0.339 nan 8.240 nan 0.000 0.439 1314 N N 3.795 122.665 118.700 0.284 0.000 2.454 1314 N HA 0.098 4.838 4.740 0.000 0.000 0.260 1314 N C 0.020 175.510 175.510 -0.033 0.000 1.218 1314 N CA 0.043 53.226 53.050 0.222 0.000 0.904 1314 N CB 0.559 39.223 38.487 0.296 0.000 1.065 1314 N HN 0.668 nan 8.380 nan 0.000 0.462 1315 D N 0.000 120.219 120.400 -0.302 0.000 6.856 1315 D HA 0.000 4.640 4.640 0.000 0.000 0.175 1315 D CA 0.000 53.691 54.000 -0.515 0.000 0.868 1315 D CB 0.000 40.154 40.800 -1.077 0.000 0.688 1315 D HN 0.000 nan 8.370 nan 0.000 0.683