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 1d0h_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 0.000 176.592 176.600 -0.013 0.000 1.382 875 E CA 0.000 56.395 56.400 -0.009 0.000 0.976 875 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 876 D N 2.519 122.913 120.400 -0.010 0.000 2.351 876 D HA 0.328 4.968 4.640 -0.000 0.000 0.251 876 D C 1.508 177.796 176.300 -0.020 0.000 1.137 876 D CA -0.188 53.804 54.000 -0.015 0.000 0.879 876 D CB 1.352 42.146 40.800 -0.010 0.000 1.181 876 D HN 0.025 nan 8.370 nan 0.000 0.448 877 I N 1.495 122.046 120.570 -0.031 0.000 2.226 877 I HA -0.241 3.928 4.170 -0.000 0.000 0.245 877 I C 1.411 177.506 176.117 -0.037 0.000 1.100 877 I CA 1.068 62.341 61.300 -0.045 0.000 1.374 877 I CB -0.061 37.903 38.000 -0.060 0.000 1.057 877 I HN 0.385 nan 8.210 nan 0.000 0.413 878 D N 0.664 121.047 120.400 -0.029 0.000 2.123 878 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 878 D C 2.344 178.648 176.300 0.007 0.000 0.992 878 D CA 1.238 55.227 54.000 -0.017 0.000 0.833 878 D CB -0.366 40.420 40.800 -0.023 0.000 0.954 878 D HN 0.206 nan 8.370 nan 0.000 0.455 879 V N 1.930 121.847 119.914 0.006 0.000 2.261 879 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 879 V C 2.576 178.691 176.094 0.035 0.000 1.047 879 V CA 1.042 63.354 62.300 0.021 0.000 1.015 879 V CB -0.300 31.532 31.823 0.014 0.000 0.642 879 V HN 0.132 nan 8.190 nan 0.000 0.446 880 I N -0.237 120.344 120.570 0.020 0.000 2.127 880 I HA -0.250 3.920 4.170 -0.000 0.000 0.241 880 I C 2.431 178.580 176.117 0.054 0.000 1.075 880 I CA 1.809 63.123 61.300 0.023 0.000 1.334 880 I CB -1.276 36.715 38.000 -0.015 0.000 1.040 880 I HN 0.268 nan 8.210 nan 0.000 0.405 881 L N 0.350 121.592 121.223 0.032 0.000 1.990 881 L HA -0.285 4.055 4.340 -0.000 0.000 0.213 881 L C 2.663 179.690 176.870 0.263 0.000 1.072 881 L CA 1.807 56.715 54.840 0.113 0.000 0.755 881 L CB -0.741 41.356 42.059 0.062 0.000 0.889 881 L HN 0.229 nan 8.230 nan 0.000 0.432 882 K N 0.514 121.008 120.400 0.155 0.000 2.020 882 K HA -0.239 4.081 4.320 -0.000 0.000 0.212 882 K C 2.187 178.877 176.600 0.151 0.000 1.050 882 K CA 1.719 58.089 56.287 0.138 0.000 0.929 882 K CB -0.028 32.520 32.500 0.080 0.000 0.714 882 K HN 0.119 nan 8.250 nan 0.000 0.443 883 K N 0.021 120.499 120.400 0.131 0.000 2.063 883 K HA -0.107 4.212 4.320 -0.000 0.000 0.208 883 K C 1.970 178.678 176.600 0.180 0.000 1.048 883 K CA 1.817 58.184 56.287 0.133 0.000 0.928 883 K CB -0.065 32.493 32.500 0.098 0.000 0.713 883 K HN 0.305 nan 8.250 nan 0.000 0.442 884 S N -0.094 115.737 115.700 0.219 0.000 2.593 884 S HA 0.015 4.484 4.470 -0.000 0.000 0.217 884 S C 0.585 175.349 174.600 0.273 0.000 0.966 884 S CA -0.139 58.214 58.200 0.255 0.000 0.914 884 S CB 0.069 63.420 63.200 0.251 0.000 0.776 884 S HN -0.011 nan 8.310 nan 0.000 0.523 885 T N 3.680 118.364 114.554 0.217 0.000 2.799 885 T HA 0.356 4.705 4.350 -0.000 0.000 0.296 885 T C 0.976 175.697 174.700 0.036 0.000 0.947 885 T CA -0.140 61.934 62.100 -0.044 0.000 1.141 885 T CB 0.267 69.090 68.868 -0.075 0.000 0.891 885 T HN 0.546 nan 8.240 nan 0.000 0.533 886 I N 1.329 121.830 120.570 -0.115 0.000 4.154 886 I HA 0.597 4.767 4.170 -0.000 0.000 0.334 886 I C -0.356 175.659 176.117 -0.171 0.000 1.371 886 I CA -0.400 60.735 61.300 -0.275 0.000 1.110 886 I CB 0.477 38.159 38.000 -0.531 0.000 1.085 886 I HN 0.318 nan 8.210 nan 0.000 0.398 887 L N 1.327 122.499 121.223 -0.086 0.000 2.666 887 L HA 0.591 4.931 4.340 -0.000 0.000 0.259 887 L C -2.213 174.633 176.870 -0.040 0.000 0.919 887 L CA -0.314 54.524 54.840 -0.002 0.000 0.927 887 L CB 1.986 44.070 42.059 0.041 0.000 1.423 887 L HN 0.156 nan 8.230 nan 0.000 0.426 888 N N 4.760 123.490 118.700 0.048 0.000 2.621 888 N HA 0.375 5.114 4.740 -0.000 0.000 0.271 888 N C -1.753 173.832 175.510 0.126 0.000 1.181 888 N CA -0.334 52.746 53.050 0.051 0.000 0.805 888 N CB 1.019 39.532 38.487 0.043 0.000 1.351 888 N HN 0.690 nan 8.380 nan 0.000 0.539 889 L N 1.854 123.187 121.223 0.184 0.000 2.433 889 L HA 0.238 4.577 4.340 -0.000 0.000 0.275 889 L C 0.211 177.181 176.870 0.166 0.000 1.128 889 L CA 0.041 55.000 54.840 0.199 0.000 0.875 889 L CB 0.258 42.474 42.059 0.262 0.000 1.171 889 L HN 0.480 nan 8.230 nan 0.000 0.463 890 D N 3.806 124.284 120.400 0.132 0.000 2.481 890 D HA 0.527 5.166 4.640 -0.000 0.000 0.244 890 D C -0.775 175.580 176.300 0.092 0.000 1.057 890 D CA -0.426 53.640 54.000 0.111 0.000 0.848 890 D CB 1.650 42.509 40.800 0.097 0.000 1.388 890 D HN 0.269 nan 8.370 nan 0.000 0.475 891 I N 3.560 124.178 120.570 0.079 0.000 2.354 891 I HA 0.331 4.500 4.170 -0.000 0.000 0.286 891 I C -0.317 175.830 176.117 0.050 0.000 1.007 891 I CA -0.558 60.781 61.300 0.065 0.000 1.167 891 I CB 0.942 38.980 38.000 0.062 0.000 1.320 891 I HN 0.286 nan 8.210 nan 0.000 0.458 892 N N 6.169 124.897 118.700 0.046 0.000 2.310 892 N HA 0.227 4.967 4.740 -0.000 0.000 0.292 892 N C -0.604 174.924 175.510 0.030 0.000 1.049 892 N CA -0.402 52.669 53.050 0.036 0.000 0.849 892 N CB 1.448 39.958 38.487 0.037 0.000 1.532 892 N HN 0.549 nan 8.380 nan 0.000 0.479 893 N N 2.735 121.449 118.700 0.023 0.000 2.740 893 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 893 N C -0.958 174.564 175.510 0.020 0.000 1.062 893 N CA 1.179 54.240 53.050 0.018 0.000 0.704 893 N CB -0.773 37.724 38.487 0.016 0.000 0.968 893 N HN 0.795 nan 8.380 nan 0.000 0.547 894 D N -1.612 118.803 120.400 0.025 0.000 2.911 894 D HA -0.199 4.441 4.640 -0.000 0.000 0.227 894 D C -0.142 176.178 176.300 0.034 0.000 1.164 894 D CA 0.958 54.975 54.000 0.029 0.000 0.782 894 D CB -0.698 40.115 40.800 0.023 0.000 1.094 894 D HN 0.454 nan 8.370 nan 0.000 0.425 895 I N 0.869 121.461 120.570 0.037 0.000 2.533 895 I HA 0.365 4.535 4.170 -0.000 0.000 0.290 895 I C 0.686 176.835 176.117 0.052 0.000 1.056 895 I CA -0.767 60.557 61.300 0.040 0.000 1.057 895 I CB 1.821 39.840 38.000 0.032 0.000 1.240 895 I HN -0.167 nan 8.210 nan 0.000 0.423 896 I N 5.251 125.859 120.570 0.062 0.000 2.342 896 I HA 0.389 4.558 4.170 -0.000 0.000 0.291 896 I C 0.476 176.639 176.117 0.077 0.000 1.010 896 I CA 0.043 61.389 61.300 0.077 0.000 1.308 896 I CB 1.367 39.421 38.000 0.089 0.000 1.400 896 I HN 0.697 nan 8.210 nan 0.000 0.488 897 S N 2.929 118.680 115.700 0.084 0.000 2.638 897 S HA 0.410 4.880 4.470 -0.000 0.000 0.274 897 S C -1.252 173.408 174.600 0.100 0.000 1.157 897 S CA -1.038 57.212 58.200 0.084 0.000 0.826 897 S CB 2.030 65.269 63.200 0.066 0.000 1.139 897 S HN 0.573 nan 8.310 nan 0.000 0.474 898 D N 0.717 121.179 120.400 0.102 0.000 2.313 898 D HA 0.366 5.005 4.640 -0.000 0.000 0.239 898 D C 0.662 177.022 176.300 0.100 0.000 1.142 898 D CA -0.661 53.408 54.000 0.115 0.000 0.847 898 D CB 0.290 41.166 40.800 0.127 0.000 1.082 898 D HN 0.642 nan 8.370 nan 0.000 0.480 899 I N 1.117 121.745 120.570 0.096 0.000 3.856 899 I HA 0.195 4.365 4.170 -0.000 0.000 0.333 899 I C 1.136 177.304 176.117 0.085 0.000 1.525 899 I CA -0.420 60.928 61.300 0.080 0.000 1.173 899 I CB 0.133 38.176 38.000 0.071 0.000 1.175 899 I HN 0.208 nan 8.210 nan 0.000 0.424 900 S N 0.878 116.650 115.700 0.119 0.000 2.383 900 S HA 0.166 4.636 4.470 -0.000 0.000 0.227 900 S C 1.761 176.436 174.600 0.126 0.000 1.026 900 S CA 1.083 59.380 58.200 0.162 0.000 0.981 900 S CB -0.291 63.079 63.200 0.284 0.000 0.818 900 S HN 0.842 nan 8.310 nan 0.000 0.472 901 G N -0.248 108.593 108.800 0.069 0.000 2.296 901 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.188 901 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.188 901 G C 0.479 175.258 174.900 -0.202 0.000 1.000 901 G CA 0.038 45.084 45.100 -0.090 0.000 0.672 901 G HN 0.477 nan 8.290 nan 0.000 0.483 902 F N 1.204 121.168 119.950 0.022 0.000 2.615 902 F HA 0.304 4.830 4.527 -0.000 0.000 0.297 902 F C 1.639 177.452 175.800 0.022 0.000 1.124 902 F CA 0.864 58.877 58.000 0.020 0.000 1.451 902 F CB 0.147 39.158 39.000 0.018 0.000 1.103 902 F HN 0.285 nan 8.300 nan 0.000 0.569 903 N N 1.161 119.955 118.700 0.156 0.000 2.738 903 N HA -0.205 4.534 4.740 -0.000 0.000 0.249 903 N C -0.571 175.008 175.510 0.115 0.000 1.047 903 N CA 0.201 53.313 53.050 0.103 0.000 0.707 903 N CB -0.776 37.744 38.487 0.056 0.000 0.937 903 N HN 0.087 nan 8.380 nan 0.000 0.545 904 S N 0.416 116.200 115.700 0.140 0.000 2.562 904 S HA 0.152 4.622 4.470 -0.000 0.000 0.281 904 S C 0.575 175.239 174.600 0.107 0.000 1.333 904 S CA -0.142 58.130 58.200 0.120 0.000 1.052 904 S CB 1.284 64.556 63.200 0.120 0.000 0.884 904 S HN 0.498 nan 8.310 nan 0.000 0.506 905 S N 2.751 118.511 115.700 0.101 0.000 2.523 905 S HA 0.422 4.891 4.470 -0.000 0.000 0.275 905 S C -0.447 174.231 174.600 0.129 0.000 1.281 905 S CA -0.723 57.525 58.200 0.079 0.000 1.050 905 S CB 0.345 63.554 63.200 0.015 0.000 0.937 905 S HN 0.382 nan 8.310 nan 0.000 0.492 906 V N 5.699 125.675 119.914 0.104 0.000 2.384 906 V HA 0.427 4.546 4.120 -0.000 0.000 0.287 906 V C -0.056 176.102 176.094 0.107 0.000 1.020 906 V CA -0.715 61.661 62.300 0.126 0.000 0.850 906 V CB 1.078 32.966 31.823 0.108 0.000 0.987 906 V HN 0.889 nan 8.190 nan 0.000 0.436 907 I N 4.039 124.704 120.570 0.160 0.000 2.330 907 I HA 0.339 4.509 4.170 -0.000 0.000 0.289 907 I C 0.141 176.381 176.117 0.204 0.000 1.001 907 I CA -0.091 61.297 61.300 0.146 0.000 1.193 907 I CB 1.563 39.681 38.000 0.198 0.000 1.345 907 I HN 0.504 nan 8.210 nan 0.000 0.461 908 T N 5.567 120.198 114.554 0.129 0.000 2.743 908 T HA 0.394 4.743 4.350 -0.000 0.000 0.292 908 T C -0.260 174.542 174.700 0.170 0.000 0.972 908 T CA -0.307 61.891 62.100 0.162 0.000 0.967 908 T CB 0.258 69.183 68.868 0.095 0.000 0.926 908 T HN 0.129 nan 8.240 nan 0.000 0.459 909 Y N 3.499 123.805 120.300 0.010 0.000 2.281 909 Y HA 0.235 4.785 4.550 -0.000 0.000 0.337 909 Y C -1.140 174.763 175.900 0.005 0.000 1.304 909 Y CA -1.958 56.144 58.100 0.003 0.000 1.465 909 Y CB -0.089 38.369 38.460 -0.004 0.000 1.350 909 Y HN 0.454 nan 8.280 nan 0.000 0.575 910 P HA -0.168 nan 4.420 nan 0.000 0.216 910 P C 0.510 177.851 177.300 0.069 0.000 1.150 910 P CA 1.827 64.965 63.100 0.063 0.000 0.843 910 P CB 0.293 32.018 31.700 0.041 0.000 0.787 911 D N -1.386 119.064 120.400 0.084 0.000 2.427 911 D HA 0.248 4.887 4.640 -0.000 0.000 0.224 911 D C -0.092 176.244 176.300 0.061 0.000 1.157 911 D CA -0.287 53.749 54.000 0.060 0.000 0.828 911 D CB -0.506 40.318 40.800 0.041 0.000 0.974 911 D HN -0.022 nan 8.370 nan 0.000 0.498 912 A N 0.540 123.407 122.820 0.079 0.000 2.362 912 A HA 0.464 4.784 4.320 -0.000 0.000 0.276 912 A C 0.275 177.912 177.584 0.088 0.000 1.153 912 A CA -0.267 51.816 52.037 0.076 0.000 0.813 912 A CB 0.497 19.549 19.000 0.086 0.000 1.081 912 A HN 0.180 nan 8.150 nan 0.000 0.507 913 Q N 0.874 120.741 119.800 0.113 0.000 2.241 913 Q HA 0.701 5.040 4.340 -0.000 0.000 0.262 913 Q C -1.074 175.004 176.000 0.129 0.000 1.014 913 Q CA -0.593 55.280 55.803 0.117 0.000 0.885 913 Q CB 1.975 30.799 28.738 0.143 0.000 1.311 913 Q HN 0.718 nan 8.270 nan 0.000 0.461 914 L N 1.585 122.862 121.223 0.091 0.000 2.329 914 L HA 0.736 5.076 4.340 -0.000 0.000 0.279 914 L C -0.479 176.426 176.870 0.060 0.000 1.014 914 L CA -0.961 53.933 54.840 0.090 0.000 0.814 914 L CB 1.487 43.588 42.059 0.070 0.000 1.257 914 L HN 0.457 nan 8.230 nan 0.000 0.424 915 V N 0.722 120.682 119.914 0.078 0.000 3.160 915 V HA 0.671 4.791 4.120 -0.000 0.000 0.310 915 V C -2.786 173.360 176.094 0.086 0.000 1.181 915 V CA -2.710 59.614 62.300 0.039 0.000 1.047 915 V CB 1.828 33.630 31.823 -0.036 0.000 1.068 915 V HN 0.467 nan 8.190 nan 0.000 0.441 916 P HA 0.383 nan 4.420 nan 0.000 0.264 916 P C 0.094 177.454 177.300 0.099 0.000 1.193 916 P CA 0.921 64.046 63.100 0.042 0.000 0.763 916 P CB 0.517 32.220 31.700 0.005 0.000 0.810 917 G N 1.588 110.320 108.800 -0.113 0.000 3.016 917 G HA2 0.291 4.251 3.960 -0.000 0.000 0.270 917 G HA3 0.291 4.251 3.960 -0.000 0.000 0.270 917 G C 0.527 175.000 174.900 -0.712 0.000 1.352 917 G CA -0.578 44.232 45.100 -0.484 0.000 1.060 917 G HN 0.411 nan 8.290 nan 0.000 0.538 918 I N -0.746 119.153 120.570 -1.118 0.000 2.394 918 I HA 0.060 4.230 4.170 -0.000 0.000 0.251 918 I C 0.597 176.340 176.117 -0.624 0.000 1.136 918 I CA 0.901 61.572 61.300 -1.049 0.000 1.425 918 I CB 0.172 37.150 38.000 -1.704 0.000 1.079 918 I HN 0.386 nan 8.210 nan 0.000 0.425 919 N N 0.402 118.811 118.700 -0.484 0.000 2.666 919 N HA 0.361 5.100 4.740 -0.000 0.000 0.253 919 N C -0.363 175.048 175.510 -0.166 0.000 1.621 919 N CA 0.646 53.548 53.050 -0.248 0.000 0.785 919 N CB 0.324 38.724 38.487 -0.146 0.000 1.332 919 N HN 0.434 nan 8.380 nan 0.000 0.514 920 G N 0.833 109.529 108.800 -0.174 0.000 2.265 920 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.246 920 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.246 920 G C -1.442 173.402 174.900 -0.093 0.000 1.299 920 G CA -0.872 44.172 45.100 -0.093 0.000 1.117 920 G HN 0.237 nan 8.290 nan 0.000 0.485 921 K N 0.162 120.539 120.400 -0.037 0.000 2.087 921 K HA 0.748 5.068 4.320 -0.000 0.000 0.255 921 K C 0.247 176.847 176.600 0.001 0.000 0.988 921 K CA 0.137 56.422 56.287 -0.003 0.000 0.915 921 K CB 1.749 34.269 32.500 0.033 0.000 1.043 921 K HN 1.021 nan 8.250 nan 0.000 0.457 922 A N 1.665 124.526 122.820 0.069 0.000 2.435 922 A HA 0.607 4.927 4.320 -0.000 0.000 0.296 922 A C -0.686 177.030 177.584 0.220 0.000 1.147 922 A CA -0.891 51.232 52.037 0.144 0.000 0.775 922 A CB 0.619 19.755 19.000 0.226 0.000 1.340 922 A HN 0.653 nan 8.150 nan 0.000 0.427 923 I N 1.368 122.091 120.570 0.256 0.000 2.428 923 I HA 0.237 4.407 4.170 -0.000 0.000 0.289 923 I C 0.206 176.502 176.117 0.298 0.000 1.019 923 I CA 0.030 61.467 61.300 0.229 0.000 1.351 923 I CB 0.759 38.866 38.000 0.178 0.000 1.412 923 I HN 0.650 nan 8.210 nan 0.000 0.513 924 H N 7.039 126.182 119.070 0.120 0.000 2.547 924 H HA 0.547 5.103 4.556 -0.000 0.000 0.342 924 H C -1.555 173.813 175.328 0.066 0.000 1.048 924 H CA -0.772 55.332 56.048 0.093 0.000 1.204 924 H CB 1.587 31.374 29.762 0.041 0.000 1.493 924 H HN 0.437 nan 8.280 nan 0.000 0.511 925 L N 6.066 127.144 121.223 -0.242 0.000 2.356 925 L HA 0.357 4.697 4.340 -0.000 0.000 0.277 925 L C 0.215 176.949 176.870 -0.226 0.000 0.996 925 L CA -1.002 53.741 54.840 -0.162 0.000 0.822 925 L CB 1.795 43.809 42.059 -0.076 0.000 1.256 925 L HN 0.348 nan 8.230 nan 0.000 0.413 926 V N -0.399 119.432 119.914 -0.138 0.000 3.302 926 V HA 0.500 4.620 4.120 -0.000 0.000 0.316 926 V C 0.045 176.093 176.094 -0.077 0.000 1.111 926 V CA -0.854 61.395 62.300 -0.085 0.000 1.029 926 V CB 1.687 33.485 31.823 -0.041 0.000 1.170 926 V HN 0.732 nan 8.190 nan 0.000 0.452 927 N N 2.709 121.362 118.700 -0.078 0.000 3.298 927 N HA 0.265 5.004 4.740 -0.000 0.000 0.292 927 N C -0.732 174.724 175.510 -0.089 0.000 1.271 927 N CA -0.068 52.913 53.050 -0.114 0.000 1.184 927 N CB -1.226 37.159 38.487 -0.170 0.000 1.452 927 N HN 1.052 nan 8.380 nan 0.000 0.534 928 N N -1.468 117.188 118.700 -0.073 0.000 2.591 928 N HA 0.234 4.974 4.740 -0.000 0.000 0.263 928 N C 0.262 175.734 175.510 -0.063 0.000 1.308 928 N CA -0.667 52.349 53.050 -0.058 0.000 0.837 928 N CB 0.849 39.315 38.487 -0.035 0.000 1.548 928 N HN -0.249 nan 8.380 nan 0.000 0.493 929 E N -0.029 120.136 120.200 -0.059 0.000 2.130 929 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 929 E C 0.962 177.522 176.600 -0.067 0.000 0.998 929 E CA 2.175 58.532 56.400 -0.072 0.000 0.806 929 E CB -0.655 29.018 29.700 -0.046 0.000 0.738 929 E HN 0.715 nan 8.360 nan 0.000 0.459 930 S N -0.824 114.872 115.700 -0.006 0.000 2.631 930 S HA 0.166 4.636 4.470 -0.000 0.000 0.217 930 S C 0.926 175.558 174.600 0.053 0.000 0.958 930 S CA -0.112 58.129 58.200 0.068 0.000 0.920 930 S CB 0.123 63.382 63.200 0.098 0.000 0.776 930 S HN 0.031 nan 8.310 nan 0.000 0.517 931 S N 2.512 118.201 115.700 -0.019 0.000 2.695 931 S HA 0.393 4.863 4.470 -0.000 0.000 0.275 931 S C -0.491 174.068 174.600 -0.069 0.000 1.203 931 S CA -0.667 57.523 58.200 -0.018 0.000 1.061 931 S CB -0.376 62.807 63.200 -0.027 0.000 1.152 931 S HN 0.727 nan 8.310 nan 0.000 0.495 932 E N 1.118 121.279 120.200 -0.066 0.000 2.401 932 E HA 0.598 4.948 4.350 -0.000 0.000 0.280 932 E C -1.819 174.759 176.600 -0.037 0.000 1.039 932 E CA -1.128 55.189 56.400 -0.139 0.000 0.814 932 E CB 1.267 30.767 29.700 -0.332 0.000 1.275 932 E HN 0.176 nan 8.360 nan 0.000 0.448 933 V N 2.195 122.084 119.914 -0.042 0.000 2.525 933 V HA 0.461 4.581 4.120 -0.000 0.000 0.299 933 V C -0.626 175.457 176.094 -0.019 0.000 1.034 933 V CA -0.514 61.806 62.300 0.033 0.000 0.863 933 V CB 1.329 33.170 31.823 0.030 0.000 0.999 933 V HN 0.612 nan 8.190 nan 0.000 0.423 934 I N 4.763 125.372 120.570 0.064 0.000 2.433 934 I HA 0.512 4.682 4.170 -0.000 0.000 0.292 934 I C -0.586 175.583 176.117 0.087 0.000 1.001 934 I CA -0.980 60.325 61.300 0.008 0.000 1.119 934 I CB 2.237 40.251 38.000 0.023 0.000 1.289 934 I HN 0.258 nan 8.210 nan 0.000 0.438 935 V N 5.473 125.384 119.914 -0.005 0.000 2.350 935 V HA 0.229 4.348 4.120 -0.000 0.000 0.276 935 V C -0.565 175.527 176.094 -0.004 0.000 1.028 935 V CA -0.652 61.690 62.300 0.069 0.000 0.860 935 V CB 0.622 32.483 31.823 0.064 0.000 0.990 935 V HN 0.546 nan 8.190 nan 0.000 0.453 936 H N 3.547 122.627 119.070 0.017 0.000 2.690 936 H HA 0.328 4.884 4.556 -0.000 0.000 0.289 936 H C 0.327 175.658 175.328 0.005 0.000 1.089 936 H CA -0.472 55.577 56.048 0.002 0.000 1.299 936 H CB 0.316 30.081 29.762 0.005 0.000 1.405 936 H HN 0.496 nan 8.280 nan 0.000 0.463 937 K N 2.018 122.447 120.400 0.048 0.000 2.550 937 K HA 0.116 4.436 4.320 -0.000 0.000 0.280 937 K C 0.425 177.043 176.600 0.030 0.000 0.987 937 K CA 0.043 56.341 56.287 0.018 0.000 1.048 937 K CB 0.482 32.956 32.500 -0.044 0.000 0.879 937 K HN 0.681 nan 8.250 nan 0.000 0.491 938 A N 3.576 126.418 122.820 0.037 0.000 2.386 938 A HA 0.008 4.328 4.320 -0.000 0.000 0.248 938 A C 1.389 178.974 177.584 0.002 0.000 1.082 938 A CA -0.219 51.851 52.037 0.055 0.000 0.789 938 A CB 0.405 19.483 19.000 0.130 0.000 1.025 938 A HN 1.028 nan 8.150 nan 0.000 0.490 939 M N 0.410 120.015 119.600 0.008 0.000 2.082 939 M HA -0.237 4.242 4.480 -0.000 0.000 0.258 939 M C 1.112 177.355 176.300 -0.095 0.000 1.069 939 M CA 2.611 57.890 55.300 -0.036 0.000 1.102 939 M CB -0.436 32.169 32.600 0.007 0.000 1.336 939 M HN 0.900 nan 8.290 nan 0.000 0.404 940 D N 0.700 121.106 120.400 0.010 0.000 2.133 940 D HA -0.162 4.477 4.640 -0.000 0.000 0.195 940 D C 1.270 177.476 176.300 -0.157 0.000 0.997 940 D CA 1.738 55.767 54.000 0.048 0.000 0.840 940 D CB -0.542 40.441 40.800 0.305 0.000 0.947 940 D HN 0.673 nan 8.370 nan 0.000 0.452 941 I N -1.334 119.099 120.570 -0.228 0.000 3.731 941 I HA 0.225 4.395 4.170 -0.000 0.000 0.341 941 I C 1.207 177.102 176.117 -0.370 0.000 1.532 941 I CA -0.330 60.760 61.300 -0.351 0.000 1.163 941 I CB -0.216 37.514 38.000 -0.450 0.000 1.339 941 I HN -0.082 nan 8.210 nan 0.000 0.449 942 E N 1.487 121.358 120.200 -0.547 0.000 2.152 942 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 942 E C 0.666 177.096 176.600 -0.283 0.000 0.983 942 E CA 1.144 57.307 56.400 -0.394 0.000 0.818 942 E CB -0.457 29.026 29.700 -0.362 0.000 0.758 942 E HN 0.741 nan 8.360 nan 0.000 0.467 943 Y N -0.779 119.504 120.300 -0.029 0.000 2.682 943 Y HA 0.511 5.061 4.550 -0.000 0.000 0.251 943 Y C 0.439 176.314 175.900 -0.041 0.000 1.172 943 Y CA -1.454 56.623 58.100 -0.039 0.000 1.186 943 Y CB -0.796 37.664 38.460 -0.000 0.000 1.216 943 Y HN -0.165 nan 8.280 nan 0.000 0.540 944 N N 1.583 120.401 118.700 0.196 0.000 2.573 944 N HA -0.097 4.643 4.740 -0.000 0.000 0.187 944 N C 0.393 175.931 175.510 0.047 0.000 1.107 944 N CA 1.419 54.562 53.050 0.156 0.000 0.918 944 N CB -0.066 38.452 38.487 0.052 0.000 0.966 944 N HN 0.637 nan 8.380 nan 0.000 0.448 945 D N -1.401 118.966 120.400 -0.055 0.000 2.650 945 D HA 0.058 4.698 4.640 -0.000 0.000 0.265 945 D C 1.083 177.302 176.300 -0.136 0.000 1.339 945 D CA -0.209 53.691 54.000 -0.167 0.000 0.816 945 D CB -0.427 40.019 40.800 -0.590 0.000 1.091 945 D HN 0.093 nan 8.370 nan 0.000 0.483 946 M N -0.581 118.920 119.600 -0.166 0.000 2.123 946 M HA 0.116 4.596 4.480 -0.000 0.000 0.263 946 M C 0.234 176.103 176.300 -0.719 0.000 1.069 946 M CA 1.789 56.796 55.300 -0.489 0.000 1.133 946 M CB 0.107 32.331 32.600 -0.626 0.000 1.356 946 M HN 0.020 nan 8.290 nan 0.000 0.415 947 F N -1.672 118.327 119.950 0.082 0.000 2.856 947 F HA 0.341 4.868 4.527 -0.000 0.000 0.338 947 F C 0.499 176.367 175.800 0.112 0.000 1.100 947 F CA -0.711 57.342 58.000 0.088 0.000 1.150 947 F CB -0.444 38.589 39.000 0.054 0.000 1.101 947 F HN 0.090 nan 8.300 nan 0.000 0.548 948 N N 1.310 120.156 118.700 0.244 0.000 2.493 948 N HA 0.171 4.910 4.740 -0.000 0.000 0.275 948 N C -0.527 175.160 175.510 0.295 0.000 1.186 948 N CA -0.330 52.859 53.050 0.233 0.000 0.978 948 N CB 0.780 39.383 38.487 0.194 0.000 1.184 948 N HN 0.182 nan 8.380 nan 0.000 0.487 949 N N 0.795 119.643 118.700 0.246 0.000 2.479 949 N HA 0.193 4.933 4.740 -0.000 0.000 0.257 949 N C -1.101 174.614 175.510 0.342 0.000 1.232 949 N CA 0.120 53.311 53.050 0.236 0.000 0.920 949 N CB 0.481 39.036 38.487 0.114 0.000 1.105 949 N HN 0.351 nan 8.380 nan 0.000 0.444 950 F N -1.962 118.017 119.950 0.050 0.000 2.686 950 F HA 0.602 5.128 4.527 -0.001 0.000 0.311 950 F C -1.151 174.633 175.800 -0.026 0.000 1.128 950 F CA -0.947 57.071 58.000 0.031 0.000 0.946 950 F CB 1.188 40.210 39.000 0.037 0.000 1.336 950 F HN 0.114 nan 8.300 nan 0.000 0.457 951 T N 1.859 116.411 114.554 -0.004 0.000 2.886 951 T HA 0.669 5.018 4.350 -0.000 0.000 0.292 951 T C -1.394 173.287 174.700 -0.032 0.000 1.012 951 T CA -0.637 61.369 62.100 -0.157 0.000 0.982 951 T CB 1.951 70.765 68.868 -0.089 0.000 1.018 951 T HN 0.632 nan 8.240 nan 0.000 0.451 952 V N 3.274 123.030 119.914 -0.264 0.000 2.555 952 V HA 0.822 4.942 4.120 -0.000 0.000 0.302 952 V C -0.206 175.740 176.094 -0.246 0.000 1.038 952 V CA -0.617 61.528 62.300 -0.259 0.000 0.887 952 V CB 1.913 33.526 31.823 -0.350 0.000 0.991 952 V HN 1.084 nan 8.190 nan 0.000 0.434 953 S N 4.385 119.976 115.700 -0.182 0.000 2.569 953 S HA 0.978 5.448 4.470 -0.000 0.000 0.280 953 S C -1.063 173.514 174.600 -0.038 0.000 1.111 953 S CA -0.691 57.347 58.200 -0.270 0.000 0.887 953 S CB 2.333 65.479 63.200 -0.090 0.000 1.095 953 S HN 1.176 nan 8.310 nan 0.000 0.476 954 F N -2.832 116.931 119.950 -0.311 0.000 2.746 954 F HA 0.676 5.203 4.527 -0.000 0.000 0.311 954 F C -1.981 173.799 175.800 -0.034 0.000 1.135 954 F CA -1.841 56.170 58.000 0.018 0.000 0.954 954 F CB 0.016 39.169 39.000 0.256 0.000 1.276 954 F HN 0.670 nan 8.300 nan 0.000 0.440 955 W N 3.080 124.601 121.300 0.367 0.000 2.261 955 W HA 0.661 5.321 4.660 -0.001 0.000 0.323 955 W C -0.701 176.210 176.519 0.652 0.000 1.243 955 W CA -0.334 57.256 57.345 0.408 0.000 1.210 955 W CB 1.588 31.140 29.460 0.154 0.000 1.149 955 W HN 0.666 nan 8.180 nan 0.000 0.562 956 L N 3.613 125.337 121.223 0.835 0.000 2.422 956 L HA 0.630 4.970 4.340 -0.000 0.000 0.264 956 L C -1.110 175.997 176.870 0.396 0.000 0.984 956 L CA -1.193 54.047 54.840 0.668 0.000 0.819 956 L CB 1.948 44.296 42.059 0.482 0.000 1.330 956 L HN 0.464 nan 8.230 nan 0.000 0.410 957 R N 3.750 124.244 120.500 -0.009 0.000 2.502 957 R HA 0.763 5.103 4.340 -0.000 0.000 0.298 957 R C -2.118 174.106 176.300 -0.127 0.000 1.018 957 R CA -0.533 55.378 56.100 -0.316 0.000 0.899 957 R CB 1.851 31.439 30.300 -1.186 0.000 1.181 957 R HN 0.585 nan 8.270 nan 0.000 0.444 958 V N 6.435 126.321 119.914 -0.047 0.000 2.540 958 V HA 0.475 4.595 4.120 -0.000 0.000 0.302 958 V C -2.045 174.000 176.094 -0.083 0.000 1.035 958 V CA -2.002 60.276 62.300 -0.036 0.000 0.873 958 V CB 1.905 33.745 31.823 0.029 0.000 0.992 958 V HN 0.747 nan 8.190 nan 0.000 0.428 959 P HA 0.106 nan 4.420 nan 0.000 0.272 959 P C -0.663 176.550 177.300 -0.145 0.000 1.223 959 P CA -0.462 62.526 63.100 -0.187 0.000 0.784 959 P CB 0.856 32.339 31.700 -0.363 0.000 0.923 960 K N 1.851 122.161 120.400 -0.150 0.000 2.416 960 K HA 0.147 4.467 4.320 -0.000 0.000 0.283 960 K C -0.548 175.924 176.600 -0.213 0.000 1.037 960 K CA -0.368 55.783 56.287 -0.227 0.000 0.995 960 K CB 0.089 32.277 32.500 -0.521 0.000 0.938 960 K HN 0.170 nan 8.250 nan 0.000 0.475 961 V N 4.981 124.813 119.914 -0.137 0.000 2.508 961 V HA -0.012 4.107 4.120 -0.000 0.000 0.281 961 V C 0.509 176.541 176.094 -0.104 0.000 1.041 961 V CA -0.397 61.869 62.300 -0.057 0.000 1.016 961 V CB 0.675 32.512 31.823 0.023 0.000 0.984 961 V HN 0.982 nan 8.190 nan 0.000 0.478 962 S N 4.576 120.203 115.700 -0.122 0.000 2.576 962 S HA 0.312 4.782 4.470 -0.000 0.000 0.272 962 S C 1.419 175.955 174.600 -0.106 0.000 1.352 962 S CA 0.018 58.100 58.200 -0.196 0.000 1.021 962 S CB 1.179 64.177 63.200 -0.336 0.000 0.887 962 S HN 1.064 nan 8.310 nan 0.000 0.542 963 A N 2.243 124.999 122.820 -0.107 0.000 1.902 963 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 963 A C 2.384 179.962 177.584 -0.010 0.000 1.181 963 A CA 1.865 53.895 52.037 -0.010 0.000 0.623 963 A CB -1.551 17.474 19.000 0.043 0.000 0.818 963 A HN 0.888 nan 8.150 nan 0.000 0.443 964 S N -0.747 114.913 115.700 -0.067 0.000 2.382 964 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 964 S C 1.625 176.252 174.600 0.045 0.000 1.027 964 S CA 1.403 59.578 58.200 -0.042 0.000 0.991 964 S CB -0.613 62.537 63.200 -0.083 0.000 0.823 964 S HN 0.823 nan 8.310 nan 0.000 0.469 965 H N 0.366 119.446 119.070 0.017 0.000 2.495 965 H HA 0.177 4.732 4.556 -0.001 0.000 0.287 965 H C 1.822 177.205 175.328 0.092 0.000 1.033 965 H CA 0.463 56.568 56.048 0.095 0.000 1.307 965 H CB -0.033 29.827 29.762 0.163 0.000 1.401 965 H HN 0.242 nan 8.280 nan 0.000 0.555 966 L N 0.453 121.769 121.223 0.156 0.000 2.095 966 L HA -0.117 4.223 4.340 -0.000 0.000 0.204 966 L C 2.201 179.115 176.870 0.073 0.000 1.080 966 L CA 1.019 55.925 54.840 0.111 0.000 0.759 966 L CB -0.104 42.002 42.059 0.078 0.000 0.914 966 L HN 0.361 nan 8.230 nan 0.000 0.439 967 E N -0.163 120.063 120.200 0.043 0.000 2.028 967 E HA -0.302 4.048 4.350 -0.000 0.000 0.191 967 E C 2.038 178.612 176.600 -0.043 0.000 0.988 967 E CA 1.369 57.772 56.400 0.006 0.000 0.799 967 E CB -0.118 29.581 29.700 -0.002 0.000 0.755 967 E HN 0.493 nan 8.360 nan 0.000 0.447 968 Q N -0.017 119.719 119.800 -0.107 0.000 2.083 968 Q HA -0.147 4.192 4.340 -0.000 0.000 0.198 968 Q C 0.809 176.570 176.000 -0.398 0.000 0.969 968 Q CA 1.347 56.953 55.803 -0.328 0.000 0.838 968 Q CB 0.122 28.540 28.738 -0.534 0.000 0.900 968 Q HN 0.289 nan 8.270 nan 0.000 0.436 969 Y N -1.331 118.983 120.300 0.023 0.000 2.612 969 Y HA 0.391 4.941 4.550 -0.000 0.000 0.250 969 Y C 1.651 177.571 175.900 0.033 0.000 1.175 969 Y CA -0.087 58.015 58.100 0.004 0.000 1.205 969 Y CB 0.402 38.832 38.460 -0.050 0.000 1.201 969 Y HN 0.202 nan 8.280 nan 0.000 0.532 970 G N 0.114 109.001 108.800 0.144 0.000 2.462 970 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 970 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 970 G C 1.634 176.589 174.900 0.092 0.000 1.121 970 G CA 1.788 46.956 45.100 0.112 0.000 0.758 970 G HN 0.433 nan 8.290 nan 0.000 0.559 971 T N -2.399 112.205 114.554 0.084 0.000 3.086 971 T HA 0.146 4.496 4.350 -0.000 0.000 0.250 971 T C 0.742 175.491 174.700 0.081 0.000 1.074 971 T CA -0.227 61.912 62.100 0.065 0.000 0.988 971 T CB 0.014 68.909 68.868 0.045 0.000 0.988 971 T HN 0.118 nan 8.240 nan 0.000 0.530 972 N N 2.674 121.448 118.700 0.123 0.000 2.469 972 N HA 0.146 4.886 4.740 -0.000 0.000 0.239 972 N C -0.708 174.903 175.510 0.168 0.000 1.053 972 N CA -0.380 52.753 53.050 0.139 0.000 0.937 972 N CB 0.786 39.375 38.487 0.171 0.000 1.163 972 N HN 0.518 nan 8.380 nan 0.000 0.509 973 E N 3.515 123.779 120.200 0.107 0.000 2.229 973 E HA 0.146 4.496 4.350 -0.000 0.000 0.283 973 E C -1.183 175.482 176.600 0.109 0.000 1.030 973 E CA -0.567 55.866 56.400 0.055 0.000 0.836 973 E CB 0.396 30.101 29.700 0.008 0.000 1.068 973 E HN 0.616 nan 8.360 nan 0.000 0.401 974 Y N 1.239 121.527 120.300 -0.020 0.000 2.406 974 Y HA 0.463 5.013 4.550 -0.000 0.000 0.340 974 Y C -0.553 175.330 175.900 -0.028 0.000 0.975 974 Y CA -1.320 56.757 58.100 -0.039 0.000 1.056 974 Y CB 0.840 39.259 38.460 -0.067 0.000 1.210 974 Y HN 0.342 nan 8.280 nan 0.000 0.448 975 S N 3.648 119.370 115.700 0.036 0.000 2.601 975 S HA 0.464 4.934 4.470 -0.000 0.000 0.271 975 S C 0.572 175.187 174.600 0.025 0.000 1.305 975 S CA -0.138 58.048 58.200 -0.023 0.000 1.022 975 S CB 0.982 64.159 63.200 -0.038 0.000 0.940 975 S HN 1.017 nan 8.310 nan 0.000 0.525 976 I N -1.971 118.593 120.570 -0.010 0.000 4.124 976 I HA 0.493 4.663 4.170 -0.000 0.000 0.311 976 I C -0.328 175.747 176.117 -0.070 0.000 1.259 976 I CA -0.287 61.012 61.300 -0.003 0.000 1.315 976 I CB 0.153 38.165 38.000 0.020 0.000 1.223 976 I HN 0.452 nan 8.210 nan 0.000 0.441 977 I N 1.323 121.856 120.570 -0.061 0.000 2.534 977 I HA 0.519 4.689 4.170 -0.000 0.000 0.288 977 I C -0.773 175.327 176.117 -0.028 0.000 1.077 977 I CA -0.590 60.655 61.300 -0.092 0.000 1.051 977 I CB 2.046 39.980 38.000 -0.111 0.000 1.234 977 I HN 0.085 nan 8.210 nan 0.000 0.425 978 S N 2.619 118.178 115.700 -0.234 0.000 2.533 978 S HA 0.428 4.898 4.470 -0.000 0.000 0.271 978 S C 0.064 174.240 174.600 -0.706 0.000 1.143 978 S CA -0.250 57.684 58.200 -0.444 0.000 0.891 978 S CB 1.853 64.883 63.200 -0.284 0.000 1.105 978 S HN 0.726 nan 8.310 nan 0.000 0.468 979 S N 3.228 118.274 115.700 -1.090 0.000 2.593 979 S HA 0.405 4.875 4.470 -0.000 0.000 0.236 979 S C 0.098 174.352 174.600 -0.576 0.000 0.991 979 S CA -0.499 57.153 58.200 -0.914 0.000 0.963 979 S CB -0.482 61.932 63.200 -1.311 0.000 0.865 979 S HN 0.649 nan 8.310 nan 0.000 0.488 980 M N 2.319 121.648 119.600 -0.452 0.000 2.157 980 M HA 0.414 4.894 4.480 -0.000 0.000 0.354 980 M C 0.260 176.432 176.300 -0.213 0.000 1.170 980 M CA -0.387 54.737 55.300 -0.295 0.000 1.060 980 M CB 1.179 33.638 32.600 -0.235 0.000 1.615 980 M HN -0.015 nan 8.290 nan 0.000 0.460 981 K N 1.802 122.101 120.400 -0.169 0.000 2.185 981 K HA 0.025 4.345 4.320 -0.000 0.000 0.245 981 K C 0.606 177.153 176.600 -0.089 0.000 1.035 981 K CA 0.578 56.795 56.287 -0.116 0.000 0.847 981 K CB 0.434 32.883 32.500 -0.086 0.000 1.056 981 K HN 0.563 nan 8.250 nan 0.000 0.518 982 K N -0.777 119.596 120.400 -0.045 0.000 2.353 982 K HA -0.012 4.308 4.320 -0.000 0.000 0.168 982 K C 0.135 176.746 176.600 0.017 0.000 1.921 982 K CA 0.186 56.456 56.287 -0.028 0.000 1.081 982 K CB -0.090 32.387 32.500 -0.038 0.000 1.821 982 K HN 0.591 nan 8.250 nan 0.000 0.527 983 H N 0.156 119.189 119.070 -0.062 0.000 2.524 983 H HA 0.336 4.892 4.556 -0.000 0.000 0.299 983 H C 0.357 175.661 175.328 -0.039 0.000 1.074 983 H CA 0.839 56.858 56.048 -0.047 0.000 1.115 983 H CB 0.512 30.247 29.762 -0.046 0.000 1.522 983 H HN 0.247 nan 8.280 nan 0.000 0.543 984 S N -1.366 114.317 115.700 -0.029 0.000 3.324 984 S HA -0.007 4.462 4.470 -0.000 0.000 0.229 984 S C -0.073 174.500 174.600 -0.045 0.000 1.043 984 S CA -0.526 57.650 58.200 -0.040 0.000 1.107 984 S CB 0.100 63.308 63.200 0.013 0.000 1.057 984 S HN 0.163 nan 8.310 nan 0.000 0.418 985 L N 3.437 124.638 121.223 -0.037 0.000 2.270 985 L HA 0.559 4.899 4.340 -0.000 0.000 0.286 985 L C 0.942 177.784 176.870 -0.046 0.000 1.059 985 L CA -0.080 54.736 54.840 -0.040 0.000 0.839 985 L CB 0.984 43.019 42.059 -0.040 0.000 1.221 985 L HN 0.364 nan 8.230 nan 0.000 0.431 986 S N 4.842 120.514 115.700 -0.046 0.000 2.432 986 S HA -0.207 4.263 4.470 -0.000 0.000 0.243 986 S C 0.825 175.398 174.600 -0.045 0.000 1.069 986 S CA 2.213 60.385 58.200 -0.047 0.000 1.047 986 S CB -0.547 62.629 63.200 -0.040 0.000 0.854 986 S HN 0.716 nan 8.310 nan 0.000 0.474 987 I N -3.156 117.387 120.570 -0.046 0.000 2.834 987 I HA 0.453 4.623 4.170 -0.000 0.000 0.276 987 I C 0.114 176.195 176.117 -0.060 0.000 1.522 987 I CA -0.970 60.300 61.300 -0.049 0.000 0.858 987 I CB 0.251 38.226 38.000 -0.041 0.000 1.585 987 I HN -0.029 nan 8.210 nan 0.000 0.574 988 G N 2.935 111.692 108.800 -0.072 0.000 2.502 988 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.280 988 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.280 988 G C 0.407 175.245 174.900 -0.104 0.000 0.611 988 G CA 0.932 45.976 45.100 -0.093 0.000 1.103 988 G HN 0.819 nan 8.290 nan 0.000 0.271 989 S N 2.518 118.160 115.700 -0.097 0.000 2.593 989 S HA 0.747 5.217 4.470 -0.000 0.000 0.269 989 S C 0.981 175.499 174.600 -0.137 0.000 1.334 989 S CA 1.063 59.206 58.200 -0.095 0.000 1.015 989 S CB 1.042 64.197 63.200 -0.075 0.000 0.912 989 S HN 2.372 nan 8.310 nan 0.000 0.541 990 G N 2.002 110.727 108.800 -0.126 0.000 2.270 990 G HA2 0.100 4.059 3.960 -0.000 0.000 0.268 990 G HA3 0.100 4.059 3.960 -0.000 0.000 0.268 990 G C -1.029 173.797 174.900 -0.124 0.000 1.312 990 G CA -0.290 44.698 45.100 -0.187 0.000 1.050 990 G HN 1.292 nan 8.290 nan 0.000 0.474 991 W N 0.113 121.314 121.300 -0.166 0.000 2.902 991 W HA 0.836 5.496 4.660 -0.000 0.000 0.346 991 W C -0.104 176.226 176.519 -0.314 0.000 1.139 991 W CA -0.562 56.581 57.345 -0.337 0.000 1.139 991 W CB 1.424 30.700 29.460 -0.307 0.000 1.439 991 W HN 1.609 nan 8.180 nan 0.000 0.558 992 S N -0.010 115.664 115.700 -0.044 0.000 2.565 992 S HA 0.643 5.113 4.470 -0.000 0.000 0.269 992 S C -1.835 172.892 174.600 0.213 0.000 1.153 992 S CA -0.805 57.451 58.200 0.094 0.000 0.835 992 S CB 1.842 64.999 63.200 -0.071 0.000 1.122 992 S HN 0.494 nan 8.310 nan 0.000 0.462 993 V N 2.690 122.810 119.914 0.343 0.000 2.384 993 V HA 0.831 4.951 4.120 -0.000 0.000 0.287 993 V C 0.131 176.309 176.094 0.140 0.000 1.020 993 V CA -0.077 62.443 62.300 0.367 0.000 0.850 993 V CB 0.857 32.928 31.823 0.415 0.000 0.987 993 V HN 1.193 nan 8.190 nan 0.000 0.436 994 S N 5.541 121.290 115.700 0.081 0.000 2.697 994 S HA 0.896 5.366 4.470 -0.000 0.000 0.289 994 S C -1.184 173.331 174.600 -0.142 0.000 1.149 994 S CA -0.915 57.235 58.200 -0.083 0.000 0.850 994 S CB 2.048 65.189 63.200 -0.099 0.000 1.151 994 S HN 0.414 nan 8.310 nan 0.000 0.491 995 L N 0.730 121.706 121.223 -0.411 0.000 2.381 995 L HA 0.684 5.024 4.340 -0.000 0.000 0.268 995 L C -0.574 176.055 176.870 -0.401 0.000 0.997 995 L CA -0.541 54.044 54.840 -0.424 0.000 0.818 995 L CB 2.212 43.899 42.059 -0.620 0.000 1.310 995 L HN 0.844 nan 8.230 nan 0.000 0.416 996 K N 2.328 122.646 120.400 -0.136 0.000 2.740 996 K HA 0.486 4.806 4.320 -0.000 0.000 0.246 996 K C 0.164 176.786 176.600 0.036 0.000 1.021 996 K CA 0.353 56.628 56.287 -0.020 0.000 1.021 996 K CB 1.211 33.708 32.500 -0.006 0.000 1.233 996 K HN 0.795 nan 8.250 nan 0.000 0.497 997 G N 3.840 112.695 108.800 0.092 0.000 2.561 997 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.289 997 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.289 997 G C 0.106 175.043 174.900 0.062 0.000 1.169 997 G CA 0.392 45.545 45.100 0.089 0.000 0.980 997 G HN 0.716 nan 8.290 nan 0.000 0.550 998 N N 2.163 120.888 118.700 0.042 0.000 2.451 998 N HA 0.244 4.984 4.740 -0.000 0.000 0.264 998 N C -0.534 174.990 175.510 0.023 0.000 1.167 998 N CA -0.266 52.805 53.050 0.036 0.000 0.898 998 N CB 0.067 38.569 38.487 0.025 0.000 1.176 998 N HN 0.355 nan 8.380 nan 0.000 0.507 999 N N 1.058 119.773 118.700 0.026 0.000 2.314 999 N HA 0.282 5.022 4.740 -0.000 0.000 0.304 999 N C -1.364 174.196 175.510 0.084 0.000 1.073 999 N CA -0.550 52.519 53.050 0.032 0.000 0.822 999 N CB 2.524 41.016 38.487 0.009 0.000 1.280 999 N HN 0.021 nan 8.380 nan 0.000 0.489 1000 L N 2.488 123.821 121.223 0.183 0.000 2.296 1000 L HA 0.594 4.934 4.340 -0.000 0.000 0.286 1000 L C -1.034 175.941 176.870 0.176 0.000 1.023 1000 L CA -0.364 54.583 54.840 0.178 0.000 0.812 1000 L CB 0.617 42.808 42.059 0.221 0.000 1.223 1000 L HN 0.458 nan 8.230 nan 0.000 0.421 1001 I N 5.180 125.836 120.570 0.142 0.000 2.436 1001 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 1001 I C -1.129 175.141 176.117 0.256 0.000 1.010 1001 I CA -0.401 60.994 61.300 0.158 0.000 1.098 1001 I CB 1.582 39.627 38.000 0.074 0.000 1.266 1001 I HN 0.658 nan 8.210 nan 0.000 0.434 1002 W N 7.014 128.350 121.300 0.059 0.000 2.433 1002 W HA 0.566 5.226 4.660 -0.000 0.000 0.315 1002 W C -0.983 175.588 176.519 0.088 0.000 1.087 1002 W CA -0.542 56.852 57.345 0.081 0.000 1.205 1002 W CB 1.845 31.327 29.460 0.038 0.000 1.288 1002 W HN 0.491 nan 8.180 nan 0.000 0.504 1003 T N 6.409 120.657 114.554 -0.509 0.000 2.886 1003 T HA 0.579 4.928 4.350 -0.000 0.000 0.292 1003 T C -1.462 172.902 174.700 -0.560 0.000 1.012 1003 T CA -0.597 61.254 62.100 -0.414 0.000 0.982 1003 T CB 1.199 69.966 68.868 -0.168 0.000 1.018 1003 T HN 0.439 nan 8.240 nan 0.000 0.451 1004 L N 3.963 124.991 121.223 -0.326 0.000 2.329 1004 L HA 0.679 5.018 4.340 -0.000 0.000 0.279 1004 L C -0.226 176.605 176.870 -0.065 0.000 1.014 1004 L CA -0.905 53.849 54.840 -0.142 0.000 0.814 1004 L CB 1.945 44.003 42.059 -0.001 0.000 1.257 1004 L HN 0.637 nan 8.230 nan 0.000 0.424 1005 K N 2.646 123.020 120.400 -0.042 0.000 2.565 1005 K HA 0.269 4.589 4.320 -0.000 0.000 0.249 1005 K C -1.364 175.222 176.600 -0.024 0.000 0.958 1005 K CA -0.651 55.614 56.287 -0.037 0.000 0.806 1005 K CB 1.812 34.276 32.500 -0.059 0.000 1.194 1005 K HN 0.647 nan 8.250 nan 0.000 0.434 1006 D N 1.831 122.227 120.400 -0.007 0.000 2.433 1006 D HA -0.007 4.633 4.640 -0.000 0.000 0.255 1006 D C 0.931 177.220 176.300 -0.018 0.000 1.226 1006 D CA -0.276 53.720 54.000 -0.006 0.000 1.015 1006 D CB 0.945 41.756 40.800 0.019 0.000 1.091 1006 D HN 0.408 nan 8.370 nan 0.000 0.527 1007 S N -1.452 114.237 115.700 -0.019 0.000 2.507 1007 S HA -0.004 4.466 4.470 -0.000 0.000 0.235 1007 S C 1.657 176.254 174.600 -0.005 0.000 0.988 1007 S CA 0.393 58.583 58.200 -0.017 0.000 0.944 1007 S CB -0.598 62.594 63.200 -0.014 0.000 0.762 1007 S HN 0.648 nan 8.310 nan 0.000 0.526 1008 A N 0.630 123.453 122.820 0.005 0.000 2.275 1008 A HA 0.600 4.919 4.320 -0.000 0.000 0.212 1008 A C 1.728 179.312 177.584 0.000 0.000 1.201 1008 A CA 0.385 52.427 52.037 0.008 0.000 0.843 1008 A CB -0.977 18.034 19.000 0.018 0.000 0.873 1008 A HN 1.446 nan 8.150 nan 0.000 0.492 1009 G N -0.455 108.340 108.800 -0.007 0.000 2.159 1009 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.256 1009 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.256 1009 G C 0.069 174.964 174.900 -0.008 0.000 0.977 1009 G CA 0.489 45.582 45.100 -0.013 0.000 0.652 1009 G HN 0.714 nan 8.290 nan 0.000 0.531 1010 E N -0.162 120.038 120.200 0.001 0.000 2.383 1010 E HA 0.575 4.925 4.350 -0.000 0.000 0.264 1010 E C 0.050 176.651 176.600 0.001 0.000 1.050 1010 E CA -0.206 56.197 56.400 0.006 0.000 0.896 1010 E CB 1.209 30.919 29.700 0.018 0.000 0.982 1010 E HN 0.364 nan 8.360 nan 0.000 0.424 1011 V N 5.023 124.937 119.914 0.001 0.000 2.789 1011 V HA 0.540 4.660 4.120 -0.000 0.000 0.311 1011 V C -0.712 175.384 176.094 0.004 0.000 1.073 1011 V CA -0.901 61.395 62.300 -0.007 0.000 0.921 1011 V CB 1.975 33.787 31.823 -0.018 0.000 1.009 1011 V HN 0.605 nan 8.190 nan 0.000 0.426 1012 R N 3.485 123.987 120.500 0.003 0.000 2.599 1012 R HA 0.671 5.011 4.340 -0.000 0.000 0.295 1012 R C -1.025 175.282 176.300 0.012 0.000 0.963 1012 R CA -0.589 55.523 56.100 0.021 0.000 0.883 1012 R CB 2.212 32.541 30.300 0.049 0.000 1.171 1012 R HN 0.740 nan 8.270 nan 0.000 0.450 1013 Q N 2.140 121.961 119.800 0.034 0.000 2.397 1013 Q HA 0.580 4.919 4.340 -0.000 0.000 0.275 1013 Q C -0.531 175.528 176.000 0.097 0.000 1.090 1013 Q CA -0.816 55.017 55.803 0.051 0.000 0.809 1013 Q CB 3.126 31.883 28.738 0.032 0.000 1.362 1013 Q HN 0.458 nan 8.270 nan 0.000 0.431 1014 I N 1.501 122.165 120.570 0.157 0.000 2.382 1014 I HA 0.304 4.474 4.170 -0.000 0.000 0.286 1014 I C -0.563 175.640 176.117 0.144 0.000 1.002 1014 I CA -0.489 60.900 61.300 0.147 0.000 1.135 1014 I CB 1.906 40.004 38.000 0.163 0.000 1.288 1014 I HN 0.440 nan 8.210 nan 0.000 0.448 1015 T N 6.619 121.235 114.554 0.104 0.000 2.801 1015 T HA 0.304 4.654 4.350 -0.000 0.000 0.306 1015 T C -0.534 174.233 174.700 0.111 0.000 1.020 1015 T CA -0.275 61.882 62.100 0.094 0.000 0.948 1015 T CB 0.248 69.143 68.868 0.045 0.000 0.962 1015 T HN 0.276 nan 8.240 nan 0.000 0.465 1016 F N 4.074 124.029 119.950 0.007 0.000 2.411 1016 F HA 0.652 5.179 4.527 -0.000 0.000 0.350 1016 F C 0.201 176.007 175.800 0.011 0.000 1.114 1016 F CA -1.402 56.592 58.000 -0.011 0.000 1.135 1016 F CB 0.699 39.673 39.000 -0.042 0.000 1.120 1016 F HN 0.306 nan 8.300 nan 0.000 0.495 1017 R N 4.988 125.015 120.500 -0.787 0.000 2.229 1017 R HA 0.234 4.573 4.340 -0.000 0.000 0.328 1017 R C -0.911 174.823 176.300 -0.944 0.000 1.009 1017 R CA -0.423 55.313 56.100 -0.605 0.000 0.864 1017 R CB 0.241 30.346 30.300 -0.325 0.000 1.085 1017 R HN 0.718 nan 8.270 nan 0.000 0.453 1018 D N 2.918 123.014 120.400 -0.508 0.000 2.357 1018 D HA 0.089 4.728 4.640 -0.000 0.000 0.242 1018 D C -0.072 176.164 176.300 -0.107 0.000 1.153 1018 D CA -0.154 53.719 54.000 -0.212 0.000 0.918 1018 D CB 0.733 41.599 40.800 0.109 0.000 1.181 1018 D HN 0.488 nan 8.370 nan 0.000 0.435 1019 L N 3.656 124.904 121.223 0.041 0.000 2.525 1019 L HA 0.067 4.406 4.340 -0.000 0.000 0.278 1019 L C -1.018 175.841 176.870 -0.018 0.000 1.218 1019 L CA -1.071 53.787 54.840 0.030 0.000 0.878 1019 L CB 0.361 42.454 42.059 0.057 0.000 1.127 1019 L HN 0.481 nan 8.230 nan 0.000 0.492 1020 P HA -0.129 nan 4.420 nan 0.000 0.217 1020 P C 0.183 177.291 177.300 -0.321 0.000 1.151 1020 P CA 0.827 63.884 63.100 -0.071 0.000 0.828 1020 P CB 0.028 31.768 31.700 0.067 0.000 0.788 1021 D N 0.504 120.619 120.400 -0.474 0.000 2.344 1021 D HA 0.011 4.651 4.640 -0.000 0.000 0.253 1021 D C 1.033 177.282 176.300 -0.086 0.000 1.255 1021 D CA -0.091 53.548 54.000 -0.602 0.000 0.894 1021 D CB 0.565 41.141 40.800 -0.373 0.000 1.067 1021 D HN -0.258 nan 8.370 nan 0.000 0.492 1022 K N 3.428 123.883 120.400 0.093 0.000 2.288 1022 K HA -0.098 4.222 4.320 -0.000 0.000 0.201 1022 K C 1.537 178.387 176.600 0.418 0.000 1.048 1022 K CA 0.285 56.683 56.287 0.186 0.000 0.956 1022 K CB -0.413 32.069 32.500 -0.032 0.000 0.746 1022 K HN 0.489 nan 8.250 nan 0.000 0.461 1023 F N 2.410 122.566 119.950 0.344 0.000 2.134 1023 F HA -0.127 4.399 4.527 -0.001 0.000 0.299 1023 F C 1.285 177.173 175.800 0.146 0.000 1.097 1023 F CA 1.352 59.517 58.000 0.275 0.000 1.264 1023 F CB 0.132 39.242 39.000 0.182 0.000 1.001 1023 F HN 0.068 nan 8.300 nan 0.000 0.479 1024 N N 0.201 119.022 118.700 0.201 0.000 2.230 1024 N HA 0.217 4.957 4.740 -0.000 0.000 0.202 1024 N C 0.194 175.565 175.510 -0.232 0.000 1.119 1024 N CA 0.507 53.556 53.050 -0.002 0.000 0.851 1024 N CB 0.145 38.691 38.487 0.099 0.000 0.990 1024 N HN 0.154 nan 8.380 nan 0.000 0.497 1025 A N -0.122 122.592 122.820 -0.176 0.000 2.287 1025 A HA 0.320 4.640 4.320 -0.000 0.000 0.273 1025 A C 0.389 177.747 177.584 -0.376 0.000 1.091 1025 A CA -0.211 51.656 52.037 -0.283 0.000 0.817 1025 A CB 0.283 19.257 19.000 -0.044 0.000 1.069 1025 A HN 0.156 nan 8.150 nan 0.000 0.492 1026 Y N -0.164 120.225 120.300 0.149 0.000 2.448 1026 Y HA 0.164 4.714 4.550 -0.000 0.000 0.289 1026 Y C 0.890 176.866 175.900 0.126 0.000 1.114 1026 Y CA 0.657 58.832 58.100 0.125 0.000 1.235 1026 Y CB -0.033 38.486 38.460 0.098 0.000 1.045 1026 Y HN 0.374 nan 8.280 nan 0.000 0.554 1027 L N 0.124 121.493 121.223 0.243 0.000 3.096 1027 L HA 0.546 4.885 4.340 -0.000 0.000 0.247 1027 L C 0.294 177.220 176.870 0.095 0.000 1.321 1027 L CA -0.272 54.667 54.840 0.165 0.000 1.044 1027 L CB 0.139 42.293 42.059 0.157 0.000 1.434 1027 L HN 0.013 nan 8.230 nan 0.000 0.533 1028 A N 0.294 123.181 122.820 0.111 0.000 3.308 1028 A HA 0.409 4.729 4.320 -0.000 0.000 0.275 1028 A C 0.665 178.390 177.584 0.236 0.000 0.950 1028 A CA -0.267 51.840 52.037 0.118 0.000 0.987 1028 A CB 0.005 19.078 19.000 0.122 0.000 1.146 1028 A HN 0.418 nan 8.150 nan 0.000 0.488 1029 N N -0.406 118.355 118.700 0.102 0.000 2.984 1029 N HA -0.152 4.588 4.740 -0.000 0.000 0.227 1029 N C -0.143 175.438 175.510 0.118 0.000 0.903 1029 N CA 1.957 55.001 53.050 -0.009 0.000 0.995 1029 N CB -1.215 37.134 38.487 -0.229 0.000 1.065 1029 N HN 0.737 nan 8.380 nan 0.000 0.585 1030 K N -0.583 119.958 120.400 0.235 0.000 2.098 1030 K HA 0.274 4.594 4.320 -0.000 0.000 0.258 1030 K C -0.389 176.370 176.600 0.265 0.000 0.973 1030 K CA -0.570 55.887 56.287 0.284 0.000 0.898 1030 K CB 0.611 33.248 32.500 0.228 0.000 1.057 1030 K HN 0.067 nan 8.250 nan 0.000 0.447 1031 W N 2.370 123.877 121.300 0.345 0.000 2.253 1031 W HA 0.186 4.846 4.660 0.000 0.000 0.322 1031 W C 0.076 176.972 176.519 0.628 0.000 1.342 1031 W CA -0.357 57.245 57.345 0.428 0.000 1.218 1031 W CB 0.681 30.317 29.460 0.294 0.000 1.205 1031 W HN 0.199 nan 8.180 nan 0.000 0.551 1032 V N 1.901 122.315 119.914 0.834 0.000 2.962 1032 V HA 0.567 4.687 4.120 -0.000 0.000 0.313 1032 V C -1.354 174.851 176.094 0.186 0.000 1.099 1032 V CA -1.475 61.129 62.300 0.506 0.000 0.971 1032 V CB 1.891 33.895 31.823 0.302 0.000 1.028 1032 V HN 0.307 nan 8.190 nan 0.000 0.430 1033 F N 4.795 124.428 119.950 -0.528 0.000 2.385 1033 F HA 0.752 5.278 4.527 -0.000 0.000 0.360 1033 F C -0.362 174.969 175.800 -0.780 0.000 1.122 1033 F CA -1.455 55.916 58.000 -1.048 0.000 1.090 1033 F CB 1.004 39.119 39.000 -1.475 0.000 1.150 1033 F HN 0.403 nan 8.300 nan 0.000 0.472 1034 I N 5.115 124.878 120.570 -1.345 0.000 2.385 1034 I HA 0.360 4.530 4.170 -0.000 0.000 0.294 1034 I C -0.117 175.135 176.117 -1.442 0.000 0.988 1034 I CA -0.362 60.160 61.300 -1.296 0.000 1.265 1034 I CB 1.241 38.358 38.000 -1.472 0.000 1.388 1034 I HN 0.517 nan 8.210 nan 0.000 0.480 1035 T N 7.060 121.040 114.554 -0.956 0.000 2.991 1035 T HA 0.643 4.993 4.350 -0.000 0.000 0.303 1035 T C -0.286 174.106 174.700 -0.513 0.000 1.015 1035 T CA -0.311 61.351 62.100 -0.730 0.000 1.007 1035 T CB 1.637 70.124 68.868 -0.634 0.000 1.034 1035 T HN 0.263 nan 8.240 nan 0.000 0.446 1036 I N 3.321 123.535 120.570 -0.593 0.000 2.439 1036 I HA 0.386 4.556 4.170 -0.000 0.000 0.283 1036 I C 0.476 176.201 176.117 -0.653 0.000 1.023 1036 I CA -0.673 60.199 61.300 -0.715 0.000 1.100 1036 I CB 1.938 39.141 38.000 -1.328 0.000 1.238 1036 I HN 0.667 nan 8.210 nan 0.000 0.445 1037 T N 2.058 116.362 114.554 -0.416 0.000 2.867 1037 T HA 0.501 4.851 4.350 -0.000 0.000 0.282 1037 T C -0.378 174.110 174.700 -0.352 0.000 1.000 1037 T CA -0.858 61.026 62.100 -0.360 0.000 1.042 1037 T CB 1.276 70.021 68.868 -0.205 0.000 0.973 1037 T HN 0.454 nan 8.240 nan 0.000 0.465 1038 N N 2.844 121.304 118.700 -0.400 0.000 2.491 1038 N HA 0.221 4.960 4.740 -0.000 0.000 0.274 1038 N C -1.730 173.712 175.510 -0.115 0.000 1.023 1038 N CA -0.544 52.337 53.050 -0.282 0.000 0.902 1038 N CB 1.994 40.182 38.487 -0.498 0.000 1.267 1038 N HN 0.752 nan 8.380 nan 0.000 0.503 1039 D N 2.130 122.506 120.400 -0.040 0.000 2.412 1039 D HA 0.203 4.843 4.640 -0.000 0.000 0.224 1039 D C 1.102 177.432 176.300 0.051 0.000 1.093 1039 D CA -0.399 53.608 54.000 0.011 0.000 0.850 1039 D CB 0.789 41.589 40.800 0.001 0.000 1.046 1039 D HN 0.156 nan 8.370 nan 0.000 0.507 1040 R N 3.041 123.596 120.500 0.092 0.000 2.127 1040 R HA -0.054 4.285 4.340 -0.000 0.000 0.238 1040 R C 1.542 177.895 176.300 0.088 0.000 1.134 1040 R CA 0.753 56.924 56.100 0.117 0.000 0.975 1040 R CB -0.499 29.900 30.300 0.165 0.000 0.865 1040 R HN 0.580 nan 8.270 nan 0.000 0.447 1041 L N 0.359 121.622 121.223 0.067 0.000 2.478 1041 L HA -0.022 4.318 4.340 -0.000 0.000 0.223 1041 L C 1.471 178.363 176.870 0.038 0.000 1.140 1041 L CA 0.814 55.683 54.840 0.049 0.000 0.842 1041 L CB -0.169 41.913 42.059 0.039 0.000 0.953 1041 L HN 0.242 nan 8.230 nan 0.000 0.452 1042 S N -2.078 113.643 115.700 0.035 0.000 4.585 1042 S HA 0.268 4.737 4.470 -0.000 0.000 0.155 1042 S C 0.357 174.971 174.600 0.023 0.000 0.954 1042 S CA 0.153 58.368 58.200 0.024 0.000 1.213 1042 S CB 0.571 63.779 63.200 0.013 0.000 1.901 1042 S HN 0.222 nan 8.310 nan 0.000 0.805 1043 S N 0.443 116.150 115.700 0.012 0.000 2.661 1043 S HA 0.887 5.357 4.470 -0.000 0.000 0.285 1043 S C -0.924 173.673 174.600 -0.005 0.000 1.138 1043 S CA -0.523 57.682 58.200 0.009 0.000 0.855 1043 S CB 1.406 64.602 63.200 -0.007 0.000 1.136 1043 S HN 1.312 nan 8.310 nan 0.000 0.484 1044 A N 1.344 124.167 122.820 0.005 0.000 2.304 1044 A HA 0.775 5.095 4.320 -0.000 0.000 0.323 1044 A C -0.679 176.856 177.584 -0.081 0.000 1.195 1044 A CA -0.767 51.254 52.037 -0.026 0.000 0.826 1044 A CB 0.281 19.350 19.000 0.115 0.000 1.184 1044 A HN 0.704 nan 8.150 nan 0.000 0.496 1045 N N 1.185 119.790 118.700 -0.158 0.000 2.258 1045 N HA 0.481 5.221 4.740 -0.000 0.000 0.299 1045 N C -1.562 173.745 175.510 -0.339 0.000 1.047 1045 N CA -0.432 52.474 53.050 -0.240 0.000 0.814 1045 N CB 2.224 40.587 38.487 -0.207 0.000 1.413 1045 N HN 0.607 nan 8.380 nan 0.000 0.478 1046 L N 2.640 123.606 121.223 -0.429 0.000 2.296 1046 L HA 0.545 4.885 4.340 -0.000 0.000 0.286 1046 L C -1.614 174.911 176.870 -0.574 0.000 1.023 1046 L CA -0.379 54.203 54.840 -0.429 0.000 0.812 1046 L CB 0.415 42.275 42.059 -0.333 0.000 1.223 1046 L HN 0.366 nan 8.230 nan 0.000 0.421 1047 Y N 5.256 125.271 120.300 -0.475 0.000 2.393 1047 Y HA 0.657 5.207 4.550 -0.000 0.000 0.341 1047 Y C -0.168 175.360 175.900 -0.621 0.000 0.988 1047 Y CA -0.698 57.111 58.100 -0.485 0.000 1.078 1047 Y CB 1.794 40.001 38.460 -0.421 0.000 1.203 1047 Y HN 0.421 nan 8.280 nan 0.000 0.453 1048 I N 3.162 123.417 120.570 -0.524 0.000 2.436 1048 I HA 0.226 4.396 4.170 -0.000 0.000 0.289 1048 I C -0.596 175.168 176.117 -0.588 0.000 1.010 1048 I CA -0.994 59.902 61.300 -0.674 0.000 1.098 1048 I CB 1.545 38.954 38.000 -0.985 0.000 1.266 1048 I HN 0.697 nan 8.210 nan 0.000 0.434 1049 N N 4.911 123.224 118.700 -0.644 0.000 2.714 1049 N HA -0.209 4.531 4.740 -0.000 0.000 0.252 1049 N C 0.973 175.948 175.510 -0.892 0.000 1.014 1049 N CA 1.376 53.826 53.050 -1.000 0.000 0.735 1049 N CB -0.993 37.227 38.487 -0.445 0.000 0.924 1049 N HN 1.171 nan 8.380 nan 0.000 0.540 1050 G N -3.112 105.321 108.800 -0.612 0.000 2.189 1050 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.267 1050 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.267 1050 G C 0.044 174.912 174.900 -0.053 0.000 0.975 1050 G CA 0.504 45.463 45.100 -0.235 0.000 0.644 1050 G HN 0.533 nan 8.290 nan 0.000 0.537 1051 V N 1.278 121.130 119.914 -0.103 0.000 2.435 1051 V HA 0.618 4.737 4.120 -0.000 0.000 0.290 1051 V C 0.595 176.597 176.094 -0.152 0.000 1.030 1051 V CA -0.914 61.349 62.300 -0.060 0.000 0.881 1051 V CB 1.729 33.485 31.823 -0.111 0.000 0.983 1051 V HN 0.424 nan 8.190 nan 0.000 0.445 1052 L N 6.254 127.352 121.223 -0.209 0.000 2.562 1052 L HA 0.204 4.544 4.340 -0.000 0.000 0.271 1052 L C 0.667 177.310 176.870 -0.378 0.000 1.167 1052 L CA 1.246 55.738 54.840 -0.579 0.000 0.917 1052 L CB 0.089 41.857 42.059 -0.486 0.000 1.187 1052 L HN 0.693 nan 8.230 nan 0.000 0.482 1053 M N 4.178 123.522 119.600 -0.426 0.000 2.289 1053 M HA 0.420 4.900 4.480 -0.000 0.000 0.335 1053 M C 0.521 176.756 176.300 -0.109 0.000 0.961 1053 M CA 0.043 55.202 55.300 -0.235 0.000 1.018 1053 M CB 0.850 33.212 32.600 -0.397 0.000 1.678 1053 M HN 0.685 nan 8.290 nan 0.000 0.589 1054 G N -0.061 108.612 108.800 -0.212 0.000 2.655 1054 G HA2 0.496 4.456 3.960 -0.000 0.000 0.296 1054 G HA3 0.496 4.456 3.960 -0.000 0.000 0.296 1054 G C -1.846 172.962 174.900 -0.154 0.000 1.485 1054 G CA -0.250 44.791 45.100 -0.099 0.000 0.869 1054 G HN -0.034 nan 8.290 nan 0.000 0.540 1055 S N -1.189 114.464 115.700 -0.079 0.000 2.570 1055 S HA 0.952 5.422 4.470 -0.000 0.000 0.270 1055 S C -0.976 173.617 174.600 -0.013 0.000 1.149 1055 S CA 0.251 58.407 58.200 -0.074 0.000 0.837 1055 S CB 1.768 64.915 63.200 -0.088 0.000 1.124 1055 S HN 2.253 nan 8.310 nan 0.000 0.465 1056 A N 2.051 124.873 122.820 0.004 0.000 2.540 1056 A HA 0.618 4.938 4.320 -0.000 0.000 0.297 1056 A C -0.963 176.639 177.584 0.031 0.000 1.056 1056 A CA -0.626 51.430 52.037 0.031 0.000 0.700 1056 A CB 1.242 20.280 19.000 0.064 0.000 1.280 1056 A HN 0.827 nan 8.150 nan 0.000 0.398 1057 E N 2.116 122.332 120.200 0.026 0.000 2.290 1057 E HA 0.394 4.744 4.350 -0.000 0.000 0.277 1057 E C 0.322 176.947 176.600 0.042 0.000 1.035 1057 E CA -0.234 56.183 56.400 0.028 0.000 0.873 1057 E CB 0.363 30.075 29.700 0.020 0.000 1.029 1057 E HN 0.696 nan 8.360 nan 0.000 0.419 1058 I N 1.334 121.935 120.570 0.052 0.000 4.009 1058 I HA 0.195 4.364 4.170 -0.000 0.000 0.331 1058 I C 0.233 176.391 176.117 0.069 0.000 1.462 1058 I CA -0.679 60.662 61.300 0.068 0.000 1.117 1058 I CB 0.204 38.260 38.000 0.092 0.000 1.091 1058 I HN 0.326 nan 8.210 nan 0.000 0.410 1059 T N -1.085 113.502 114.554 0.055 0.000 2.926 1059 T HA 0.494 4.844 4.350 -0.000 0.000 0.307 1059 T C 1.262 175.993 174.700 0.052 0.000 1.059 1059 T CA 0.434 62.567 62.100 0.055 0.000 1.122 1059 T CB 1.309 70.203 68.868 0.042 0.000 0.972 1059 T HN 0.748 nan 8.240 nan 0.000 0.545 1060 G N 1.482 110.316 108.800 0.057 0.000 2.217 1060 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.246 1060 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.246 1060 G C 0.007 174.942 174.900 0.058 0.000 0.990 1060 G CA -0.066 45.064 45.100 0.051 0.000 0.627 1060 G HN 0.837 nan 8.290 nan 0.000 0.522 1061 L N 1.222 122.487 121.223 0.071 0.000 2.371 1061 L HA 0.590 4.930 4.340 -0.000 0.000 0.272 1061 L C 1.602 178.531 176.870 0.099 0.000 1.124 1061 L CA 0.110 54.996 54.840 0.076 0.000 0.816 1061 L CB 1.094 43.204 42.059 0.085 0.000 1.129 1061 L HN 0.259 nan 8.230 nan 0.000 0.448 1062 G N 1.426 110.282 108.800 0.093 0.000 2.975 1062 G HA2 0.520 4.480 3.960 -0.000 0.000 0.159 1062 G HA3 0.520 4.480 3.960 -0.000 0.000 0.159 1062 G C -0.392 174.580 174.900 0.121 0.000 1.525 1062 G CA -0.137 45.044 45.100 0.134 0.000 1.075 1062 G HN 0.730 nan 8.290 nan 0.000 0.574 1063 A N -0.575 122.298 122.820 0.089 0.000 2.450 1063 A HA 0.532 4.852 4.320 -0.000 0.000 0.255 1063 A C -0.164 177.328 177.584 -0.153 0.000 1.096 1063 A CA -0.120 51.804 52.037 -0.189 0.000 0.778 1063 A CB -0.154 18.700 19.000 -0.243 0.000 1.031 1063 A HN 0.400 nan 8.150 nan 0.000 0.494 1064 I N 3.188 123.632 120.570 -0.210 0.000 2.306 1064 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 1064 I C 0.743 176.767 176.117 -0.154 0.000 1.036 1064 I CA 0.041 61.277 61.300 -0.107 0.000 1.221 1064 I CB 0.768 38.767 38.000 -0.003 0.000 1.385 1064 I HN 0.692 nan 8.210 nan 0.000 0.472 1065 R N 7.128 127.553 120.500 -0.126 0.000 2.477 1065 R HA 0.167 4.506 4.340 -0.000 0.000 0.285 1065 R C 0.022 176.252 176.300 -0.116 0.000 1.415 1065 R CA -0.539 55.489 56.100 -0.119 0.000 1.446 1065 R CB 0.541 30.783 30.300 -0.097 0.000 1.110 1065 R HN 0.599 nan 8.270 nan 0.000 0.590 1066 E N 1.635 121.749 120.200 -0.143 0.000 2.416 1066 E HA -0.030 4.320 4.350 -0.000 0.000 0.254 1066 E C -0.365 176.136 176.600 -0.165 0.000 1.241 1066 E CA -0.304 55.981 56.400 -0.191 0.000 0.969 1066 E CB 0.497 30.047 29.700 -0.251 0.000 0.999 1066 E HN 0.401 nan 8.360 nan 0.000 0.481 1067 D N -0.297 119.983 120.400 -0.199 0.000 2.363 1067 D HA -0.081 4.559 4.640 -0.000 0.000 0.240 1067 D C 0.879 177.082 176.300 -0.162 0.000 1.236 1067 D CA -0.207 53.693 54.000 -0.167 0.000 0.927 1067 D CB 0.369 41.053 40.800 -0.194 0.000 1.150 1067 D HN 0.495 nan 8.370 nan 0.000 0.458 1068 N N 0.868 119.490 118.700 -0.130 0.000 2.461 1068 N HA -0.082 4.658 4.740 -0.000 0.000 0.188 1068 N C -0.708 174.708 175.510 -0.157 0.000 1.134 1068 N CA -0.114 52.869 53.050 -0.112 0.000 0.878 1068 N CB -0.237 38.214 38.487 -0.061 0.000 0.972 1068 N HN 0.152 nan 8.380 nan 0.000 0.456 1069 N N 0.691 119.255 118.700 -0.227 0.000 2.269 1069 N HA 0.433 5.173 4.740 -0.000 0.000 0.304 1069 N C -0.971 174.369 175.510 -0.284 0.000 1.072 1069 N CA -0.483 52.379 53.050 -0.313 0.000 0.802 1069 N CB 2.210 40.443 38.487 -0.424 0.000 1.348 1069 N HN 0.042 nan 8.380 nan 0.000 0.484 1070 I N 1.314 121.739 120.570 -0.241 0.000 2.330 1070 I HA 0.243 4.413 4.170 -0.000 0.000 0.289 1070 I C -0.149 175.814 176.117 -0.255 0.000 1.001 1070 I CA -0.260 60.896 61.300 -0.240 0.000 1.193 1070 I CB 1.132 39.093 38.000 -0.066 0.000 1.345 1070 I HN 0.214 nan 8.210 nan 0.000 0.461 1071 T N 7.299 121.676 114.554 -0.294 0.000 2.779 1071 T HA 0.519 4.868 4.350 -0.000 0.000 0.280 1071 T C -0.324 174.226 174.700 -0.250 0.000 0.987 1071 T CA -0.480 61.467 62.100 -0.255 0.000 0.966 1071 T CB 1.163 69.885 68.868 -0.244 0.000 0.933 1071 T HN 0.125 nan 8.240 nan 0.000 0.442 1072 L N 4.236 125.324 121.223 -0.225 0.000 2.264 1072 L HA 0.660 4.999 4.340 -0.000 0.000 0.287 1072 L C 0.061 176.843 176.870 -0.148 0.000 1.039 1072 L CA 0.113 54.832 54.840 -0.201 0.000 0.829 1072 L CB 0.518 42.460 42.059 -0.195 0.000 1.211 1072 L HN 0.586 nan 8.230 nan 0.000 0.427 1073 K N 2.738 123.063 120.400 -0.125 0.000 2.675 1073 K HA 0.421 4.741 4.320 -0.000 0.000 0.280 1073 K C -1.797 174.766 176.600 -0.061 0.000 0.993 1073 K CA -0.852 55.371 56.287 -0.107 0.000 0.863 1073 K CB 1.071 33.483 32.500 -0.148 0.000 1.438 1073 K HN 0.178 nan 8.250 nan 0.000 0.389 1074 L N 2.916 124.110 121.223 -0.048 0.000 2.361 1074 L HA 0.280 4.620 4.340 -0.000 0.000 0.278 1074 L C -0.349 176.505 176.870 -0.027 0.000 1.113 1074 L CA 0.626 55.464 54.840 -0.004 0.000 0.849 1074 L CB 0.647 42.657 42.059 -0.081 0.000 1.155 1074 L HN 0.467 nan 8.230 nan 0.000 0.452 1075 D N 4.398 124.816 120.400 0.031 0.000 2.505 1075 D HA 0.352 4.991 4.640 -0.000 0.000 0.250 1075 D C 0.321 176.638 176.300 0.028 0.000 1.164 1075 D CA -0.438 53.557 54.000 -0.007 0.000 0.870 1075 D CB 0.684 41.465 40.800 -0.033 0.000 1.160 1075 D HN 0.459 nan 8.370 nan 0.000 0.549 1076 R N 1.330 121.823 120.500 -0.011 0.000 3.773 1076 R HA -0.146 4.193 4.340 -0.000 0.000 0.382 1076 R C -0.584 175.705 176.300 -0.019 0.000 1.115 1076 R CA 0.337 56.435 56.100 -0.003 0.000 0.949 1076 R CB -2.000 28.314 30.300 0.023 0.000 1.576 1076 R HN 0.485 nan 8.270 nan 0.000 0.515 1077 C N 1.263 120.491 119.300 -0.120 0.000 2.482 1077 C HA 0.268 4.727 4.460 -0.000 0.000 0.378 1077 C C 1.494 176.297 174.990 -0.312 0.000 1.284 1077 C CA -0.667 58.148 59.018 -0.337 0.000 1.826 1077 C CB 0.119 27.438 27.740 -0.701 0.000 2.473 1077 C HN 0.440 nan 8.230 nan 0.000 0.562 1078 N N 3.175 121.696 118.700 -0.299 0.000 2.409 1078 N HA -0.038 4.702 4.740 -0.000 0.000 0.179 1078 N C 0.374 175.597 175.510 -0.479 0.000 1.032 1078 N CA 0.613 53.521 53.050 -0.237 0.000 0.898 1078 N CB -0.339 38.150 38.487 0.002 0.000 0.971 1078 N HN 0.733 nan 8.380 nan 0.000 0.441 1079 N N 1.976 120.114 118.700 -0.936 0.000 2.399 1079 N HA 0.043 4.783 4.740 -0.000 0.000 0.259 1079 N C 0.405 175.601 175.510 -0.524 0.000 1.160 1079 N CA -0.014 52.400 53.050 -1.059 0.000 0.946 1079 N CB 0.209 37.899 38.487 -1.329 0.000 1.156 1079 N HN -0.055 nan 8.380 nan 0.000 0.489 1080 N N 2.854 121.371 118.700 -0.306 0.000 2.289 1080 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 1080 N C 0.209 175.631 175.510 -0.146 0.000 1.016 1080 N CA 0.879 53.821 53.050 -0.180 0.000 0.872 1080 N CB 0.030 38.462 38.487 -0.092 0.000 0.973 1080 N HN 0.575 nan 8.380 nan 0.000 0.433 1081 N N 0.749 119.361 118.700 -0.147 0.000 2.322 1081 N HA -0.036 4.703 4.740 -0.000 0.000 0.194 1081 N C 0.270 175.735 175.510 -0.075 0.000 1.126 1081 N CA 0.012 53.033 53.050 -0.048 0.000 0.845 1081 N CB 0.257 38.757 38.487 0.021 0.000 0.976 1081 N HN 0.350 nan 8.380 nan 0.000 0.475 1082 Q N 1.232 120.889 119.800 -0.237 0.000 2.373 1082 Q HA 0.140 4.480 4.340 -0.000 0.000 0.255 1082 Q C -0.987 174.910 176.000 -0.171 0.000 0.980 1082 Q CA -0.028 55.580 55.803 -0.326 0.000 0.882 1082 Q CB 0.301 28.736 28.738 -0.505 0.000 1.249 1082 Q HN 0.309 nan 8.270 nan 0.000 0.438 1083 Y N 0.361 120.567 120.300 -0.156 0.000 2.655 1083 Y HA 0.760 5.310 4.550 -0.000 0.000 0.336 1083 Y C -1.334 174.481 175.900 -0.141 0.000 1.154 1083 Y CA -1.157 56.818 58.100 -0.208 0.000 1.055 1083 Y CB 0.697 38.987 38.460 -0.284 0.000 1.295 1083 Y HN 0.473 nan 8.280 nan 0.000 0.465 1084 V N -1.818 118.121 119.914 0.041 0.000 3.188 1084 V HA 0.912 5.032 4.120 -0.000 0.000 0.305 1084 V C -1.013 175.139 176.094 0.098 0.000 1.232 1084 V CA -0.958 61.385 62.300 0.072 0.000 1.043 1084 V CB 1.652 33.523 31.823 0.081 0.000 1.068 1084 V HN 0.948 nan 8.190 nan 0.000 0.439 1085 S N 1.895 117.676 115.700 0.135 0.000 2.526 1085 S HA 0.877 5.347 4.470 -0.000 0.000 0.293 1085 S C -0.713 174.113 174.600 0.376 0.000 1.092 1085 S CA -0.506 57.844 58.200 0.250 0.000 0.980 1085 S CB 1.481 64.793 63.200 0.186 0.000 1.048 1085 S HN 0.747 nan 8.310 nan 0.000 0.483 1086 I N 1.933 122.793 120.570 0.483 0.000 2.730 1086 I HA 0.583 4.753 4.170 -0.000 0.000 0.298 1086 I C -1.215 175.221 176.117 0.531 0.000 1.089 1086 I CA -0.506 61.115 61.300 0.535 0.000 1.041 1086 I CB 2.372 40.532 38.000 0.267 0.000 1.235 1086 I HN 0.496 nan 8.210 nan 0.000 0.423 1087 D N 4.271 125.002 120.400 0.551 0.000 2.655 1087 D HA 0.343 4.983 4.640 -0.000 0.000 0.229 1087 D C -0.800 175.725 176.300 0.375 0.000 1.229 1087 D CA -0.354 53.839 54.000 0.322 0.000 0.807 1087 D CB 1.430 42.235 40.800 0.009 0.000 1.514 1087 D HN 0.338 nan 8.370 nan 0.000 0.444 1088 K N 1.285 121.844 120.400 0.265 0.000 3.069 1088 K HA -0.232 4.088 4.320 -0.000 0.000 0.267 1088 K C -0.065 176.730 176.600 0.325 0.000 1.082 1088 K CA 0.242 56.688 56.287 0.266 0.000 0.782 1088 K CB -2.598 30.001 32.500 0.165 0.000 1.230 1088 K HN 0.478 nan 8.250 nan 0.000 0.488 1089 F N 1.675 121.770 119.950 0.242 0.000 2.604 1089 F HA -0.003 4.524 4.527 -0.000 0.000 0.393 1089 F C 0.870 176.768 175.800 0.163 0.000 1.043 1089 F CA 0.818 58.950 58.000 0.221 0.000 1.227 1089 F CB 0.309 39.392 39.000 0.137 0.000 1.016 1089 F HN 0.181 nan 8.300 nan 0.000 0.556 1090 R N 6.538 126.615 120.500 -0.705 0.000 2.626 1090 R HA 0.639 4.979 4.340 -0.000 0.000 0.274 1090 R C -1.792 174.093 176.300 -0.691 0.000 1.031 1090 R CA -0.741 55.039 56.100 -0.533 0.000 0.898 1090 R CB 1.339 31.473 30.300 -0.277 0.000 1.222 1090 R HN 0.730 nan 8.270 nan 0.000 0.455 1091 I N 4.021 124.259 120.570 -0.553 0.000 2.498 1091 I HA 0.422 4.591 4.170 -0.000 0.000 0.290 1091 I C -1.091 174.795 176.117 -0.386 0.000 1.032 1091 I CA -0.717 60.383 61.300 -0.334 0.000 1.073 1091 I CB 1.735 39.676 38.000 -0.097 0.000 1.251 1091 I HN 0.449 nan 8.210 nan 0.000 0.426 1092 F N 4.056 123.996 119.950 -0.017 0.000 2.508 1092 F HA 0.301 4.828 4.527 -0.000 0.000 0.325 1092 F C 0.538 176.368 175.800 0.049 0.000 1.090 1092 F CA -0.666 57.338 58.000 0.006 0.000 0.945 1092 F CB 1.594 40.583 39.000 -0.019 0.000 1.156 1092 F HN 0.352 nan 8.300 nan 0.000 0.463 1093 C N 4.883 124.317 119.300 0.222 0.000 2.874 1093 C HA 0.441 4.900 4.460 -0.000 0.000 0.523 1093 C C -0.109 174.983 174.990 0.171 0.000 1.234 1093 C CA -0.190 58.933 59.018 0.176 0.000 1.485 1093 C CB -2.711 25.094 27.740 0.108 0.000 1.916 1093 C HN 0.844 nan 8.230 nan 0.000 0.630 1094 K N 0.373 120.872 120.400 0.166 0.000 2.685 1094 K HA 0.549 4.869 4.320 -0.000 0.000 0.290 1094 K C -1.514 175.098 176.600 0.021 0.000 1.018 1094 K CA -0.571 55.769 56.287 0.088 0.000 0.860 1094 K CB 0.537 33.070 32.500 0.055 0.000 1.498 1094 K HN 0.044 nan 8.250 nan 0.000 0.390 1095 A N 2.844 125.649 122.820 -0.026 0.000 2.316 1095 A HA 0.440 4.760 4.320 -0.000 0.000 0.311 1095 A C -0.022 177.478 177.584 -0.139 0.000 1.339 1095 A CA -0.808 51.172 52.037 -0.095 0.000 0.960 1095 A CB -0.320 18.635 19.000 -0.074 0.000 1.152 1095 A HN 0.559 nan 8.150 nan 0.000 0.547 1096 L N 3.280 124.366 121.223 -0.228 0.000 2.467 1096 L HA 0.098 4.437 4.340 -0.000 0.000 0.270 1096 L C 1.097 177.818 176.870 -0.249 0.000 1.205 1096 L CA -0.248 54.420 54.840 -0.287 0.000 0.828 1096 L CB 0.258 42.053 42.059 -0.440 0.000 1.101 1096 L HN 0.898 nan 8.230 nan 0.000 0.479 1097 N N 1.784 120.357 118.700 -0.211 0.000 2.458 1097 N HA 0.257 4.997 4.740 -0.000 0.000 0.271 1097 N C -2.350 173.017 175.510 -0.238 0.000 1.210 1097 N CA -1.686 51.263 53.050 -0.168 0.000 0.978 1097 N CB 1.108 39.532 38.487 -0.105 0.000 1.206 1097 N HN 0.213 nan 8.380 nan 0.000 0.536 1098 P HA -0.135 nan 4.420 nan 0.000 0.216 1098 P C 0.956 178.160 177.300 -0.160 0.000 1.150 1098 P CA 1.753 64.735 63.100 -0.197 0.000 0.843 1098 P CB 0.154 31.829 31.700 -0.041 0.000 0.787 1099 K N -0.312 120.020 120.400 -0.114 0.000 2.057 1099 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 1099 K C 2.056 178.588 176.600 -0.113 0.000 1.050 1099 K CA 1.281 57.515 56.287 -0.090 0.000 0.935 1099 K CB -0.285 32.175 32.500 -0.066 0.000 0.715 1099 K HN 0.244 nan 8.250 nan 0.000 0.439 1100 E N 0.664 120.773 120.200 -0.153 0.000 2.110 1100 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 1100 E C 1.961 178.440 176.600 -0.202 0.000 0.988 1100 E CA 0.961 57.252 56.400 -0.182 0.000 0.804 1100 E CB -0.059 29.502 29.700 -0.231 0.000 0.745 1100 E HN 0.295 nan 8.360 nan 0.000 0.458 1101 I N 0.831 121.251 120.570 -0.251 0.000 2.252 1101 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 1101 I C 2.567 178.648 176.117 -0.059 0.000 1.102 1101 I CA 0.932 62.089 61.300 -0.238 0.000 1.385 1101 I CB -0.155 37.538 38.000 -0.510 0.000 1.064 1101 I HN 0.052 nan 8.210 nan 0.000 0.414 1102 E N 1.836 122.001 120.200 -0.059 0.000 2.058 1102 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 1102 E C 2.008 178.631 176.600 0.038 0.000 0.997 1102 E CA 1.786 58.214 56.400 0.048 0.000 0.801 1102 E CB -0.108 29.599 29.700 0.011 0.000 0.746 1102 E HN 0.146 nan 8.360 nan 0.000 0.450 1103 K N 0.186 120.567 120.400 -0.032 0.000 2.057 1103 K HA -0.041 4.278 4.320 -0.000 0.000 0.207 1103 K C 2.221 178.770 176.600 -0.084 0.000 1.049 1103 K CA 1.265 57.513 56.287 -0.064 0.000 0.931 1103 K CB -0.641 31.813 32.500 -0.076 0.000 0.714 1103 K HN 0.286 nan 8.250 nan 0.000 0.440 1104 L N -0.065 121.122 121.223 -0.060 0.000 1.989 1104 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 1104 L C 2.258 179.074 176.870 -0.089 0.000 1.071 1104 L CA 2.024 56.837 54.840 -0.044 0.000 0.749 1104 L CB -0.564 41.552 42.059 0.095 0.000 0.890 1104 L HN 0.346 nan 8.230 nan 0.000 0.431 1105 Y N 1.253 121.448 120.300 -0.175 0.000 2.097 1105 Y HA -0.297 4.253 4.550 -0.000 0.000 0.282 1105 Y C 2.858 178.691 175.900 -0.112 0.000 1.152 1105 Y CA 2.313 60.193 58.100 -0.365 0.000 1.136 1105 Y CB -1.019 37.381 38.460 -0.100 0.000 0.975 1105 Y HN 0.392 nan 8.280 nan 0.000 0.498 1106 T N -2.044 112.342 114.554 -0.281 0.000 3.035 1106 T HA -0.114 4.235 4.350 -0.000 0.000 0.268 1106 T C 2.099 176.678 174.700 -0.202 0.000 1.109 1106 T CA 1.095 63.000 62.100 -0.325 0.000 1.119 1106 T CB -1.011 67.718 68.868 -0.232 0.000 0.900 1106 T HN 0.476 nan 8.240 nan 0.000 0.503 1107 S N 0.557 116.119 115.700 -0.229 0.000 2.419 1107 S HA -0.119 4.351 4.470 -0.000 0.000 0.233 1107 S C 1.614 176.040 174.600 -0.289 0.000 1.016 1107 S CA 0.405 58.437 58.200 -0.279 0.000 0.974 1107 S CB -0.896 62.083 63.200 -0.368 0.000 0.786 1107 S HN 0.618 nan 8.310 nan 0.000 0.492 1108 Y N 1.369 121.633 120.300 -0.059 0.000 2.519 1108 Y HA 0.406 4.955 4.550 -0.000 0.000 0.287 1108 Y C 0.960 176.795 175.900 -0.109 0.000 1.128 1108 Y CA -0.182 57.895 58.100 -0.040 0.000 1.282 1108 Y CB -0.254 38.285 38.460 0.131 0.000 1.027 1108 Y HN 0.207 nan 8.280 nan 0.000 0.551 1109 L N 1.930 123.166 121.223 0.021 0.000 2.391 1109 L HA 0.129 4.469 4.340 -0.000 0.000 0.249 1109 L C 0.491 177.342 176.870 -0.032 0.000 1.308 1109 L CA -0.489 54.336 54.840 -0.024 0.000 1.209 1109 L CB -0.742 41.288 42.059 -0.049 0.000 1.401 1109 L HN 0.063 nan 8.230 nan 0.000 0.416 1110 S N 0.705 116.391 115.700 -0.024 0.000 2.531 1110 S HA 0.238 4.708 4.470 -0.000 0.000 0.279 1110 S C 1.143 175.746 174.600 0.005 0.000 1.305 1110 S CA -0.777 57.420 58.200 -0.005 0.000 1.058 1110 S CB 0.779 63.994 63.200 0.025 0.000 0.899 1110 S HN 0.530 nan 8.310 nan 0.000 0.493 1111 I N 0.344 120.908 120.570 -0.010 0.000 3.564 1111 I HA -0.006 4.164 4.170 -0.000 0.000 0.294 1111 I C 1.650 177.742 176.117 -0.042 0.000 1.289 1111 I CA -0.033 61.255 61.300 -0.020 0.000 1.325 1111 I CB -1.312 36.670 38.000 -0.030 0.000 1.039 1111 I HN 0.534 nan 8.210 nan 0.000 0.474 1112 T N 1.435 115.963 114.554 -0.044 0.000 2.708 1112 T HA -0.039 4.310 4.350 -0.000 0.000 0.266 1112 T C 0.417 174.937 174.700 -0.301 0.000 1.037 1112 T CA 1.535 63.534 62.100 -0.168 0.000 1.146 1112 T CB -0.275 68.502 68.868 -0.152 0.000 0.865 1112 T HN 0.160 nan 8.240 nan 0.000 0.435 1113 F N 0.427 120.364 119.950 -0.022 0.000 2.469 1113 F HA 0.504 5.031 4.527 -0.000 0.000 0.332 1113 F C 0.164 175.914 175.800 -0.084 0.000 1.103 1113 F CA -1.252 56.731 58.000 -0.028 0.000 0.979 1113 F CB 0.881 39.886 39.000 0.008 0.000 1.137 1113 F HN -0.092 nan 8.300 nan 0.000 0.463 1114 L N 3.312 124.566 121.223 0.052 0.000 2.453 1114 L HA 0.480 4.819 4.340 -0.000 0.000 0.261 1114 L C 0.068 176.890 176.870 -0.079 0.000 1.179 1114 L CA -0.461 54.348 54.840 -0.053 0.000 0.813 1114 L CB 0.677 42.643 42.059 -0.154 0.000 1.110 1114 L HN 0.617 nan 8.230 nan 0.000 0.466 1115 R N -0.129 120.320 120.500 -0.085 0.000 2.854 1115 R HA 0.326 4.665 4.340 -0.000 0.000 0.271 1115 R C -1.144 175.111 176.300 -0.076 0.000 0.994 1115 R CA -0.932 55.098 56.100 -0.116 0.000 0.945 1115 R CB 1.718 31.926 30.300 -0.154 0.000 1.194 1115 R HN 0.666 nan 8.270 nan 0.000 0.476 1116 D N 0.312 120.685 120.400 -0.045 0.000 2.478 1116 D HA -0.048 4.592 4.640 -0.000 0.000 0.274 1116 D C 0.687 177.060 176.300 0.121 0.000 1.234 1116 D CA -0.520 53.517 54.000 0.061 0.000 1.069 1116 D CB 0.205 41.139 40.800 0.224 0.000 1.113 1116 D HN 0.390 nan 8.370 nan 0.000 0.571 1117 F N -0.715 119.184 119.950 -0.086 0.000 2.202 1117 F HA -0.011 4.516 4.527 -0.001 0.000 0.301 1117 F C 1.382 177.023 175.800 -0.266 0.000 1.082 1117 F CA 0.957 58.784 58.000 -0.287 0.000 1.313 1117 F CB -0.152 38.404 39.000 -0.741 0.000 1.024 1117 F HN 0.373 nan 8.300 nan 0.000 0.495 1118 W N -0.381 120.963 121.300 0.073 0.000 2.905 1118 W HA 0.303 4.963 4.660 -0.000 0.000 0.251 1118 W C 1.857 178.322 176.519 -0.089 0.000 1.305 1118 W CA 0.561 57.886 57.345 -0.034 0.000 1.465 1118 W CB -0.151 29.349 29.460 0.067 0.000 1.122 1118 W HN 0.180 nan 8.180 nan 0.000 0.659 1119 G N -0.189 108.498 108.800 -0.189 0.000 2.179 1119 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 1119 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 1119 G C 0.141 174.880 174.900 -0.268 0.000 0.990 1119 G CA -0.488 44.118 45.100 -0.823 0.000 0.646 1119 G HN 0.109 nan 8.290 nan 0.000 0.517 1120 N N 1.414 120.129 118.700 0.024 0.000 2.445 1120 N HA 0.474 5.213 4.740 -0.000 0.000 0.264 1120 N C -2.656 172.754 175.510 -0.167 0.000 1.227 1120 N CA -1.488 51.555 53.050 -0.012 0.000 0.963 1120 N CB 0.584 39.156 38.487 0.141 0.000 1.188 1120 N HN 0.013 nan 8.380 nan 0.000 0.491 1121 P HA -0.015 nan 4.420 nan 0.000 0.261 1121 P C 0.123 177.247 177.300 -0.294 0.000 1.183 1121 P CA 0.210 63.002 63.100 -0.513 0.000 0.761 1121 P CB 0.467 31.366 31.700 -1.335 0.000 0.785 1122 L N 4.991 126.097 121.223 -0.196 0.000 2.456 1122 L HA 0.141 4.481 4.340 -0.000 0.000 0.272 1122 L C 0.880 177.724 176.870 -0.044 0.000 1.189 1122 L CA 0.526 55.274 54.840 -0.154 0.000 0.846 1122 L CB 0.245 42.103 42.059 -0.336 0.000 1.111 1122 L HN 0.456 nan 8.230 nan 0.000 0.475 1123 R N 2.446 123.029 120.500 0.139 0.000 2.837 1123 R HA 0.389 4.729 4.340 -0.000 0.000 0.271 1123 R C -1.283 175.083 176.300 0.110 0.000 0.993 1123 R CA -0.816 55.384 56.100 0.167 0.000 0.931 1123 R CB 1.575 32.038 30.300 0.271 0.000 1.206 1123 R HN 0.296 nan 8.270 nan 0.000 0.474 1124 Y N 1.197 121.640 120.300 0.238 0.000 2.426 1124 Y HA -0.058 4.491 4.550 -0.000 0.000 0.344 1124 Y C 0.655 176.659 175.900 0.173 0.000 1.256 1124 Y CA 0.645 58.865 58.100 0.199 0.000 1.451 1124 Y CB 0.487 39.039 38.460 0.153 0.000 1.342 1124 Y HN 0.670 nan 8.280 nan 0.000 0.600 1125 D N 0.028 120.622 120.400 0.324 0.000 2.772 1125 D HA -0.175 4.465 4.640 -0.000 0.000 0.233 1125 D C -0.788 175.576 176.300 0.108 0.000 1.143 1125 D CA 1.189 55.296 54.000 0.179 0.000 0.700 1125 D CB -1.602 39.281 40.800 0.138 0.000 1.076 1125 D HN 0.475 nan 8.370 nan 0.000 0.430 1126 T N 0.186 114.800 114.554 0.100 0.000 2.916 1126 T HA 0.347 4.697 4.350 -0.000 0.000 0.298 1126 T C 0.028 174.605 174.700 -0.205 0.000 1.031 1126 T CA -0.744 61.314 62.100 -0.071 0.000 0.993 1126 T CB 2.353 71.139 68.868 -0.136 0.000 1.045 1126 T HN -0.077 nan 8.240 nan 0.000 0.454 1127 E N 1.650 121.699 120.200 -0.251 0.000 2.290 1127 E HA 0.311 4.661 4.350 -0.000 0.000 0.277 1127 E C -1.205 175.142 176.600 -0.422 0.000 1.035 1127 E CA -0.104 56.162 56.400 -0.225 0.000 0.873 1127 E CB 0.589 30.178 29.700 -0.185 0.000 1.029 1127 E HN 0.484 nan 8.360 nan 0.000 0.419 1128 Y N 1.587 121.918 120.300 0.052 0.000 2.442 1128 Y HA 0.253 4.803 4.550 -0.000 0.000 0.344 1128 Y C -0.860 175.022 175.900 -0.030 0.000 0.976 1128 Y CA -0.897 57.269 58.100 0.110 0.000 1.040 1128 Y CB 1.068 39.716 38.460 0.312 0.000 1.228 1128 Y HN 0.437 nan 8.280 nan 0.000 0.451 1129 Y N 3.313 123.799 120.300 0.310 0.000 2.336 1129 Y HA 0.376 4.926 4.550 -0.000 0.000 0.335 1129 Y C -0.014 175.945 175.900 0.099 0.000 1.046 1129 Y CA -0.339 57.893 58.100 0.220 0.000 1.198 1129 Y CB 0.623 39.187 38.460 0.174 0.000 1.182 1129 Y HN 0.397 nan 8.280 nan 0.000 0.502 1130 L N 5.377 126.687 121.223 0.145 0.000 2.326 1130 L HA 0.473 4.813 4.340 -0.000 0.000 0.278 1130 L C -0.547 176.423 176.870 0.166 0.000 1.092 1130 L CA -0.251 54.539 54.840 -0.085 0.000 0.810 1130 L CB 0.734 42.490 42.059 -0.504 0.000 1.153 1130 L HN 0.575 nan 8.230 nan 0.000 0.439 1131 I N 4.937 125.664 120.570 0.261 0.000 2.534 1131 I HA 0.313 4.483 4.170 -0.000 0.000 0.288 1131 I C -2.363 173.885 176.117 0.218 0.000 1.077 1131 I CA -2.057 59.403 61.300 0.267 0.000 1.051 1131 I CB 2.549 40.676 38.000 0.213 0.000 1.234 1131 I HN 0.348 nan 8.210 nan 0.000 0.425 1132 P HA 0.063 nan 4.420 nan 0.000 0.271 1132 P C 0.901 177.995 177.300 -0.343 0.000 1.233 1132 P CA -0.013 62.741 63.100 -0.576 0.000 0.764 1132 P CB 1.386 32.704 31.700 -0.636 0.000 0.825 1133 V N 4.164 123.770 119.914 -0.512 0.000 2.332 1133 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 1133 V C 2.510 178.492 176.094 -0.186 0.000 1.055 1133 V CA 2.831 64.855 62.300 -0.459 0.000 1.038 1133 V CB -1.488 29.943 31.823 -0.652 0.000 0.651 1133 V HN 0.619 nan 8.190 nan 0.000 0.450 1134 A N -1.674 121.001 122.820 -0.242 0.000 2.168 1134 A HA 0.024 4.343 4.320 -0.000 0.000 0.215 1134 A C 1.775 179.294 177.584 -0.107 0.000 1.152 1134 A CA 1.366 53.315 52.037 -0.146 0.000 0.716 1134 A CB -0.084 18.819 19.000 -0.161 0.000 0.794 1134 A HN 0.418 nan 8.150 nan 0.000 0.465 1135 S N -0.570 115.056 115.700 -0.123 0.000 2.407 1135 S HA 0.228 4.698 4.470 -0.000 0.000 0.166 1135 S C 1.019 175.571 174.600 -0.080 0.000 1.445 1135 S CA 0.233 58.382 58.200 -0.086 0.000 1.260 1135 S CB -0.271 62.871 63.200 -0.097 0.000 1.401 1135 S HN 0.649 nan 8.310 nan 0.000 0.379 1136 S N 0.911 116.574 115.700 -0.063 0.000 2.500 1136 S HA -0.094 4.376 4.470 -0.000 0.000 0.239 1136 S C 1.713 176.123 174.600 -0.317 0.000 0.989 1136 S CA 1.250 59.367 58.200 -0.140 0.000 0.951 1136 S CB -0.467 62.679 63.200 -0.089 0.000 0.759 1136 S HN 0.691 nan 8.310 nan 0.000 0.523 1137 S N 0.695 116.282 115.700 -0.189 0.000 2.522 1137 S HA 0.187 4.657 4.470 -0.000 0.000 0.227 1137 S C 0.503 175.046 174.600 -0.096 0.000 0.986 1137 S CA -0.101 58.011 58.200 -0.146 0.000 0.929 1137 S CB -0.214 62.942 63.200 -0.074 0.000 0.769 1137 S HN 0.362 nan 8.310 nan 0.000 0.529 1138 K N 2.107 122.464 120.400 -0.073 0.000 2.182 1138 K HA 0.516 4.836 4.320 -0.000 0.000 0.262 1138 K C -1.117 175.489 176.600 0.009 0.000 0.957 1138 K CA -0.475 55.801 56.287 -0.018 0.000 0.842 1138 K CB 1.188 33.692 32.500 0.007 0.000 1.099 1138 K HN 0.088 nan 8.250 nan 0.000 0.438 1139 D N 0.696 121.109 120.400 0.023 0.000 2.385 1139 D HA 0.355 4.994 4.640 -0.000 0.000 0.254 1139 D C -0.297 176.043 176.300 0.067 0.000 1.053 1139 D CA -0.626 53.404 54.000 0.051 0.000 0.992 1139 D CB 1.701 42.518 40.800 0.028 0.000 1.145 1139 D HN 0.003 nan 8.370 nan 0.000 0.523 1140 V N 1.026 120.999 119.914 0.098 0.000 2.532 1140 V HA 0.416 4.535 4.120 -0.000 0.000 0.295 1140 V C 0.026 176.076 176.094 -0.074 0.000 1.041 1140 V CA -0.436 61.900 62.300 0.061 0.000 0.926 1140 V CB 1.494 33.429 31.823 0.188 0.000 0.992 1140 V HN 0.414 nan 8.190 nan 0.000 0.457 1141 Q N 2.838 122.460 119.800 -0.296 0.000 2.451 1141 Q HA 0.698 5.038 4.340 -0.000 0.000 0.281 1141 Q C -1.772 173.952 176.000 -0.460 0.000 1.099 1141 Q CA -0.631 54.908 55.803 -0.439 0.000 0.806 1141 Q CB 2.037 30.380 28.738 -0.659 0.000 1.419 1141 Q HN 0.632 nan 8.270 nan 0.000 0.427 1142 L N 2.429 123.469 121.223 -0.305 0.000 2.313 1142 L HA 0.529 4.869 4.340 -0.000 0.000 0.283 1142 L C 0.412 177.210 176.870 -0.120 0.000 1.013 1142 L CA -0.153 54.573 54.840 -0.190 0.000 0.816 1142 L CB 1.396 43.347 42.059 -0.180 0.000 1.236 1142 L HN 0.833 nan 8.230 nan 0.000 0.419 1143 K N 3.573 123.915 120.400 -0.097 0.000 2.001 1143 K HA 0.100 4.420 4.320 -0.000 0.000 0.208 1143 K C 0.008 176.539 176.600 -0.115 0.000 1.048 1143 K CA 1.444 57.654 56.287 -0.128 0.000 0.932 1143 K CB 0.148 32.310 32.500 -0.563 0.000 0.715 1143 K HN 0.722 nan 8.250 nan 0.000 0.437 1144 N N -1.153 117.478 118.700 -0.115 0.000 3.127 1144 N HA 0.115 4.854 4.740 -0.000 0.000 0.239 1144 N C -1.618 173.867 175.510 -0.042 0.000 1.407 1144 N CA -0.562 52.447 53.050 -0.068 0.000 0.891 1144 N CB 0.897 39.362 38.487 -0.038 0.000 1.447 1144 N HN 0.126 nan 8.380 nan 0.000 0.507 1145 I N 1.427 121.981 120.570 -0.027 0.000 2.754 1145 I HA -0.050 4.120 4.170 -0.000 0.000 0.285 1145 I C 1.316 177.439 176.117 0.010 0.000 1.166 1145 I CA 1.486 62.764 61.300 -0.037 0.000 1.417 1145 I CB 0.398 38.346 38.000 -0.086 0.000 1.382 1145 I HN 0.960 nan 8.210 nan 0.000 0.588 1146 T N 1.323 115.907 114.554 0.049 0.000 8.650 1146 T HA -0.232 4.118 4.350 -0.000 0.000 0.321 1146 T C 0.200 175.009 174.700 0.183 0.000 2.013 1146 T CA 1.264 63.429 62.100 0.108 0.000 3.192 1146 T CB -1.607 67.275 68.868 0.022 0.000 2.061 1146 T HN 0.764 nan 8.240 nan 0.000 1.035 1147 D N 0.609 121.082 120.400 0.122 0.000 2.595 1147 D HA 0.624 5.264 4.640 -0.000 0.000 0.268 1147 D C 0.376 176.778 176.300 0.170 0.000 1.181 1147 D CA -0.444 53.647 54.000 0.152 0.000 1.085 1147 D CB 0.667 41.506 40.800 0.065 0.000 1.186 1147 D HN 0.612 nan 8.370 nan 0.000 0.621 1148 Y N -0.793 119.591 120.300 0.139 0.000 2.392 1148 Y HA 0.623 5.173 4.550 -0.000 0.000 0.323 1148 Y C -0.133 175.895 175.900 0.212 0.000 1.291 1148 Y CA -0.922 57.278 58.100 0.167 0.000 1.345 1148 Y CB 0.458 39.018 38.460 0.167 0.000 1.320 1148 Y HN 0.085 nan 8.280 nan 0.000 0.518 1149 M N 2.260 122.108 119.600 0.414 0.000 2.578 1149 M HA 0.485 4.965 4.480 -0.000 0.000 0.321 1149 M C -1.542 175.063 176.300 0.508 0.000 1.182 1149 M CA -0.841 54.631 55.300 0.286 0.000 0.965 1149 M CB 2.138 34.856 32.600 0.196 0.000 1.694 1149 M HN 0.854 nan 8.290 nan 0.000 0.461 1150 Y N -0.894 119.546 120.300 0.234 0.000 2.670 1150 Y HA 0.726 5.276 4.550 -0.000 0.000 0.334 1150 Y C -1.929 174.078 175.900 0.179 0.000 1.185 1150 Y CA -1.596 56.651 58.100 0.245 0.000 1.053 1150 Y CB 0.866 39.501 38.460 0.290 0.000 1.298 1150 Y HN 0.518 nan 8.280 nan 0.000 0.459 1151 L N 2.555 123.949 121.223 0.284 0.000 2.350 1151 L HA 0.693 5.033 4.340 -0.000 0.000 0.275 1151 L C -0.003 176.972 176.870 0.174 0.000 1.099 1151 L CA -0.420 54.518 54.840 0.162 0.000 0.808 1151 L CB 1.539 43.692 42.059 0.156 0.000 1.149 1151 L HN 0.978 nan 8.230 nan 0.000 0.442 1152 T N -1.736 112.864 114.554 0.078 0.000 2.901 1152 T HA 0.388 4.738 4.350 -0.000 0.000 0.293 1152 T C -0.445 174.283 174.700 0.046 0.000 1.084 1152 T CA -1.081 61.071 62.100 0.086 0.000 1.008 1152 T CB 1.632 70.530 68.868 0.050 0.000 1.170 1152 T HN 0.344 nan 8.240 nan 0.000 0.509 1153 N N 0.909 119.633 118.700 0.041 0.000 2.488 1153 N HA 0.481 5.221 4.740 -0.000 0.000 0.274 1153 N C -0.072 175.441 175.510 0.006 0.000 1.111 1153 N CA -0.250 52.810 53.050 0.016 0.000 0.974 1153 N CB 1.484 39.980 38.487 0.015 0.000 1.089 1153 N HN 0.933 nan 8.380 nan 0.000 0.465 1154 A N 3.667 126.479 122.820 -0.012 0.000 2.371 1154 A HA 0.407 4.727 4.320 -0.000 0.000 0.257 1154 A C -1.841 175.744 177.584 0.002 0.000 1.089 1154 A CA -0.958 51.071 52.037 -0.014 0.000 0.794 1154 A CB -0.133 18.840 19.000 -0.044 0.000 1.029 1154 A HN 0.458 nan 8.150 nan 0.000 0.488 1155 P HA 0.308 nan 4.420 nan 0.000 0.274 1155 P C -0.252 177.072 177.300 0.041 0.000 1.246 1155 P CA -0.186 62.929 63.100 0.025 0.000 0.795 1155 P CB 1.140 32.860 31.700 0.034 0.000 1.006 1156 S N -0.111 115.608 115.700 0.031 0.000 2.638 1156 S HA 0.554 5.024 4.470 -0.000 0.000 0.302 1156 S C -1.714 172.890 174.600 0.006 0.000 1.096 1156 S CA -0.585 57.636 58.200 0.035 0.000 0.953 1156 S CB 0.590 63.800 63.200 0.016 0.000 1.107 1156 S HN 0.420 nan 8.310 nan 0.000 0.503 1157 Y N 2.117 122.279 120.300 -0.230 0.000 2.364 1157 Y HA 0.594 5.144 4.550 -0.001 0.000 0.340 1157 Y C -0.241 175.499 175.900 -0.267 0.000 0.975 1157 Y CA -0.324 57.578 58.100 -0.331 0.000 1.089 1157 Y CB 1.483 39.585 38.460 -0.596 0.000 1.192 1157 Y HN 0.710 nan 8.280 nan 0.000 0.454 1158 T N 3.071 117.109 114.554 -0.860 0.000 2.886 1158 T HA 0.416 4.766 4.350 -0.000 0.000 0.292 1158 T C -1.298 172.953 174.700 -0.747 0.000 1.012 1158 T CA -0.966 60.803 62.100 -0.552 0.000 0.982 1158 T CB 1.523 70.217 68.868 -0.291 0.000 1.018 1158 T HN 0.648 nan 8.240 nan 0.000 0.451 1159 N N 1.094 119.585 118.700 -0.348 0.000 2.685 1159 N HA 0.280 5.020 4.740 -0.000 0.000 0.252 1159 N C 1.238 176.728 175.510 -0.034 0.000 1.261 1159 N CA -0.087 52.860 53.050 -0.171 0.000 0.768 1159 N CB 1.237 39.735 38.487 0.019 0.000 1.304 1159 N HN 0.933 nan 8.380 nan 0.000 0.536 1160 G N 2.345 111.111 108.800 -0.058 0.000 2.446 1160 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 1160 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 1160 G C 1.384 176.285 174.900 0.002 0.000 1.168 1160 G CA 1.261 46.347 45.100 -0.023 0.000 0.771 1160 G HN 0.647 nan 8.290 nan 0.000 0.551 1161 K N 0.395 120.794 120.400 -0.003 0.000 2.152 1161 K HA 0.009 4.329 4.320 -0.000 0.000 0.206 1161 K C 2.090 178.706 176.600 0.027 0.000 1.048 1161 K CA 1.290 57.583 56.287 0.010 0.000 0.933 1161 K CB -0.369 32.135 32.500 0.007 0.000 0.721 1161 K HN 0.405 nan 8.250 nan 0.000 0.447 1162 L N 0.497 121.747 121.223 0.045 0.000 2.607 1162 L HA 0.104 4.444 4.340 -0.000 0.000 0.228 1162 L C 0.145 177.054 176.870 0.066 0.000 1.123 1162 L CA -0.062 54.813 54.840 0.059 0.000 0.890 1162 L CB -0.590 41.518 42.059 0.082 0.000 1.103 1162 L HN 0.310 nan 8.230 nan 0.000 0.468 1163 N N 1.448 120.190 118.700 0.070 0.000 2.756 1163 N HA -0.208 4.531 4.740 -0.000 0.000 0.248 1163 N C -0.546 175.040 175.510 0.127 0.000 1.062 1163 N CA 0.637 53.742 53.050 0.092 0.000 0.696 1163 N CB -1.082 37.444 38.487 0.064 0.000 0.946 1163 N HN 0.591 nan 8.380 nan 0.000 0.548 1164 I N -1.993 118.674 120.570 0.161 0.000 2.730 1164 I HA 0.835 5.005 4.170 -0.000 0.000 0.298 1164 I C -0.731 175.550 176.117 0.272 0.000 1.089 1164 I CA -1.139 60.274 61.300 0.189 0.000 1.041 1164 I CB 2.033 40.159 38.000 0.209 0.000 1.235 1164 I HN 0.128 nan 8.210 nan 0.000 0.423 1165 Y N 3.555 123.953 120.300 0.162 0.000 2.604 1165 Y HA 0.789 5.338 4.550 -0.001 0.000 0.331 1165 Y C -2.050 173.991 175.900 0.234 0.000 1.158 1165 Y CA -1.326 56.806 58.100 0.053 0.000 1.056 1165 Y CB 1.043 39.494 38.460 -0.015 0.000 1.330 1165 Y HN 0.837 nan 8.280 nan 0.000 0.457 1166 Y N -0.396 120.119 120.300 0.359 0.000 2.638 1166 Y HA 0.614 5.164 4.550 -0.001 0.000 0.334 1166 Y C -1.168 174.925 175.900 0.323 0.000 1.182 1166 Y CA -2.040 56.257 58.100 0.329 0.000 1.102 1166 Y CB 0.753 39.472 38.460 0.432 0.000 1.343 1166 Y HN 0.851 nan 8.280 nan 0.000 0.463 1167 R N 1.245 121.976 120.500 0.386 0.000 2.489 1167 R HA 0.409 4.748 4.340 -0.000 0.000 0.287 1167 R C -0.808 175.722 176.300 0.383 0.000 1.053 1167 R CA -0.473 55.750 56.100 0.205 0.000 1.036 1167 R CB 0.431 30.712 30.300 -0.032 0.000 0.966 1167 R HN 0.726 nan 8.270 nan 0.000 0.432 1168 R N 2.798 123.469 120.500 0.286 0.000 2.543 1168 R HA 0.192 4.532 4.340 -0.000 0.000 0.277 1168 R C -0.010 176.324 176.300 0.057 0.000 1.074 1168 R CA -0.309 55.985 56.100 0.323 0.000 1.076 1168 R CB 0.333 30.751 30.300 0.198 0.000 0.993 1168 R HN 0.487 nan 8.270 nan 0.000 0.459 1169 L N 2.239 123.395 121.223 -0.112 0.000 2.416 1169 L HA 0.272 4.612 4.340 -0.000 0.000 0.263 1169 L C -0.113 176.391 176.870 -0.611 0.000 1.065 1169 L CA -0.854 53.616 54.840 -0.617 0.000 0.798 1169 L CB 0.285 41.532 42.059 -1.353 0.000 1.267 1169 L HN 0.675 nan 8.230 nan 0.000 0.467 1170 Y N -1.198 118.783 120.300 -0.531 0.000 4.272 1170 Y HA -0.252 4.298 4.550 -0.001 0.000 0.232 1170 Y C 0.032 175.472 175.900 -0.768 0.000 1.149 1170 Y CA -0.150 57.276 58.100 -1.124 0.000 1.961 1170 Y CB -2.823 35.278 38.460 -0.599 0.000 1.611 1170 Y HN 0.568 nan 8.280 nan 0.000 0.682 1171 N N 0.257 118.771 118.700 -0.310 0.000 2.432 1171 N HA 0.685 5.425 4.740 -0.000 0.000 0.292 1171 N C 0.754 176.304 175.510 0.067 0.000 1.193 1171 N CA 0.413 53.429 53.050 -0.057 0.000 0.878 1171 N CB 2.192 40.670 38.487 -0.015 0.000 1.252 1171 N HN 0.527 nan 8.380 nan 0.000 0.520 1172 G N -0.140 108.734 108.800 0.124 0.000 2.627 1172 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.214 1172 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.214 1172 G C -0.694 174.324 174.900 0.197 0.000 1.331 1172 G CA -0.818 44.358 45.100 0.127 0.000 0.891 1172 G HN 0.438 nan 8.290 nan 0.000 0.539 1173 L N 0.271 121.553 121.223 0.100 0.000 2.461 1173 L HA 0.348 4.688 4.340 -0.000 0.000 0.272 1173 L C 1.035 177.872 176.870 -0.055 0.000 1.197 1173 L CA 0.109 54.917 54.840 -0.053 0.000 0.836 1173 L CB 0.442 42.334 42.059 -0.279 0.000 1.105 1173 L HN 0.486 nan 8.230 nan 0.000 0.477 1174 K N 2.429 122.685 120.400 -0.240 0.000 2.159 1174 K HA 0.556 4.875 4.320 -0.000 0.000 0.266 1174 K C -1.222 175.209 176.600 -0.281 0.000 0.975 1174 K CA -0.439 55.650 56.287 -0.330 0.000 0.865 1174 K CB 1.475 33.777 32.500 -0.330 0.000 1.087 1174 K HN 0.164 nan 8.250 nan 0.000 0.446 1175 F N 2.044 121.968 119.950 -0.043 0.000 2.579 1175 F HA 0.560 5.087 4.527 -0.000 0.000 0.324 1175 F C 0.138 176.043 175.800 0.175 0.000 1.058 1175 F CA -0.915 57.135 58.000 0.084 0.000 0.944 1175 F CB 1.284 40.320 39.000 0.060 0.000 1.245 1175 F HN 0.176 nan 8.300 nan 0.000 0.477 1176 I N 2.827 123.656 120.570 0.431 0.000 2.582 1176 I HA 0.409 4.579 4.170 -0.000 0.000 0.292 1176 I C -1.002 175.389 176.117 0.457 0.000 1.066 1176 I CA -0.658 60.867 61.300 0.376 0.000 1.053 1176 I CB 2.293 40.416 38.000 0.206 0.000 1.241 1176 I HN 0.354 nan 8.210 nan 0.000 0.421 1177 I N 5.867 126.691 120.570 0.424 0.000 2.331 1177 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 1177 I C -0.198 176.207 176.117 0.479 0.000 0.998 1177 I CA -0.476 61.059 61.300 0.392 0.000 1.267 1177 I CB 0.925 39.036 38.000 0.185 0.000 1.386 1177 I HN 0.416 nan 8.210 nan 0.000 0.476 1178 K N 5.624 126.340 120.400 0.527 0.000 2.318 1178 K HA 0.520 4.840 4.320 -0.000 0.000 0.249 1178 K C -0.498 176.363 176.600 0.435 0.000 0.942 1178 K CA -1.077 55.485 56.287 0.459 0.000 0.808 1178 K CB 2.174 34.867 32.500 0.321 0.000 1.189 1178 K HN 0.443 nan 8.250 nan 0.000 0.428 1179 R N 1.597 122.163 120.500 0.110 0.000 2.502 1179 R HA -0.101 4.239 4.340 -0.000 0.000 0.292 1179 R C 0.709 177.115 176.300 0.175 0.000 0.998 1179 R CA 0.331 56.412 56.100 -0.031 0.000 1.056 1179 R CB 0.070 30.204 30.300 -0.277 0.000 0.939 1179 R HN 0.611 nan 8.270 nan 0.000 0.411 1180 Y N 2.665 123.058 120.300 0.155 0.000 2.163 1180 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 1180 Y C 0.759 176.710 175.900 0.085 0.000 1.136 1180 Y CA 1.642 59.835 58.100 0.156 0.000 1.147 1180 Y CB 0.442 39.023 38.460 0.201 0.000 0.987 1180 Y HN 0.608 nan 8.280 nan 0.000 0.509 1181 T N -3.334 111.279 114.554 0.098 0.000 2.883 1181 T HA 0.352 4.702 4.350 -0.000 0.000 0.296 1181 T C -2.059 172.638 174.700 -0.004 0.000 1.117 1181 T CA -1.528 60.559 62.100 -0.022 0.000 1.006 1181 T CB 1.896 70.757 68.868 -0.013 0.000 1.191 1181 T HN -0.164 nan 8.240 nan 0.000 0.508 1182 P HA 0.012 nan 4.420 nan 0.000 0.213 1182 P C 0.775 178.064 177.300 -0.017 0.000 1.170 1182 P CA 0.982 64.057 63.100 -0.042 0.000 0.889 1182 P CB -0.162 31.513 31.700 -0.042 0.000 0.782 1183 N N -1.330 117.369 118.700 -0.002 0.000 2.200 1183 N HA -0.173 4.567 4.740 -0.000 0.000 0.214 1183 N C 0.991 176.505 175.510 0.007 0.000 0.731 1183 N CA 1.724 54.783 53.050 0.015 0.000 1.494 1183 N CB -1.958 36.552 38.487 0.038 0.000 1.658 1183 N HN 0.059 nan 8.380 nan 0.000 0.374 1184 N N 1.586 120.292 118.700 0.011 0.000 2.436 1184 N HA 0.114 4.854 4.740 -0.000 0.000 0.178 1184 N C -0.310 175.202 175.510 0.004 0.000 1.026 1184 N CA 0.974 54.029 53.050 0.009 0.000 0.880 1184 N CB 0.719 39.216 38.487 0.017 0.000 1.061 1184 N HN 0.548 nan 8.380 nan 0.000 0.434 1185 E N 0.338 120.539 120.200 0.001 0.000 2.472 1185 E HA 0.035 4.384 4.350 -0.000 0.000 0.290 1185 E C -1.735 174.860 176.600 -0.008 0.000 1.059 1185 E CA -0.467 55.931 56.400 -0.003 0.000 0.861 1185 E CB 0.787 30.488 29.700 0.002 0.000 1.213 1185 E HN -0.189 nan 8.360 nan 0.000 0.425 1186 I N 3.521 124.080 120.570 -0.019 0.000 2.308 1186 I HA 0.233 4.403 4.170 -0.000 0.000 0.293 1186 I C 0.334 176.442 176.117 -0.014 0.000 1.078 1186 I CA -0.028 61.255 61.300 -0.028 0.000 1.292 1186 I CB 0.014 37.990 38.000 -0.039 0.000 1.423 1186 I HN 0.441 nan 8.210 nan 0.000 0.493 1187 D N 3.879 124.292 120.400 0.021 0.000 2.163 1187 D HA 0.174 4.813 4.640 -0.000 0.000 0.248 1187 D C 1.081 177.460 176.300 0.133 0.000 1.035 1187 D CA -0.190 53.831 54.000 0.035 0.000 0.872 1187 D CB 1.856 42.720 40.800 0.106 0.000 1.183 1187 D HN 0.515 nan 8.370 nan 0.000 0.445 1188 S N 2.501 118.239 115.700 0.064 0.000 2.461 1188 S HA -0.010 4.460 4.470 -0.000 0.000 0.228 1188 S C 0.818 175.719 174.600 0.503 0.000 1.005 1188 S CA 0.152 58.503 58.200 0.251 0.000 0.942 1188 S CB -0.156 63.134 63.200 0.150 0.000 0.776 1188 S HN 0.275 nan 8.310 nan 0.000 0.514 1189 F N 2.217 122.317 119.950 0.249 0.000 2.384 1189 F HA 0.561 5.088 4.527 -0.000 0.000 0.338 1189 F C 0.241 176.200 175.800 0.266 0.000 1.103 1189 F CA -2.592 55.534 58.000 0.211 0.000 1.157 1189 F CB 0.569 39.674 39.000 0.176 0.000 1.167 1189 F HN -0.168 nan 8.300 nan 0.000 0.529 1190 V N 3.490 123.520 119.914 0.192 0.000 2.432 1190 V HA 0.282 4.402 4.120 -0.000 0.000 0.275 1190 V C 0.141 176.286 176.094 0.085 0.000 1.043 1190 V CA -1.019 61.250 62.300 -0.052 0.000 0.925 1190 V CB 0.772 32.343 31.823 -0.420 0.000 0.985 1190 V HN 0.589 nan 8.190 nan 0.000 0.466 1191 K N 2.270 122.679 120.400 0.014 0.000 2.123 1191 K HA 0.456 4.776 4.320 -0.000 0.000 0.259 1191 K C 0.124 176.630 176.600 -0.157 0.000 0.960 1191 K CA -0.496 55.681 56.287 -0.183 0.000 0.872 1191 K CB 1.754 34.037 32.500 -0.361 0.000 1.079 1191 K HN 0.608 nan 8.250 nan 0.000 0.440 1192 S N 0.413 116.008 115.700 -0.175 0.000 2.546 1192 S HA 0.186 4.655 4.470 -0.000 0.000 0.290 1192 S C 1.127 175.630 174.600 -0.161 0.000 1.290 1192 S CA 1.413 59.526 58.200 -0.145 0.000 1.069 1192 S CB -0.401 62.729 63.200 -0.117 0.000 0.846 1192 S HN 0.865 nan 8.310 nan 0.000 0.495 1193 G N 4.027 112.715 108.800 -0.187 0.000 2.194 1193 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.236 1193 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.236 1193 G C -0.285 174.359 174.900 -0.426 0.000 0.987 1193 G CA 0.042 44.980 45.100 -0.271 0.000 0.635 1193 G HN 0.693 nan 8.290 nan 0.000 0.520 1194 D N 0.246 120.482 120.400 -0.273 0.000 2.382 1194 D HA 0.513 5.153 4.640 -0.000 0.000 0.245 1194 D C 0.265 176.386 176.300 -0.298 0.000 1.120 1194 D CA 0.135 54.029 54.000 -0.176 0.000 0.890 1194 D CB 0.330 41.171 40.800 0.070 0.000 1.201 1194 D HN 0.062 nan 8.370 nan 0.000 0.433 1195 F N 1.972 121.990 119.950 0.114 0.000 2.404 1195 F HA 0.395 4.921 4.527 -0.000 0.000 0.345 1195 F C 0.816 176.747 175.800 0.218 0.000 1.110 1195 F CA -0.706 57.345 58.000 0.084 0.000 1.130 1195 F CB 0.448 39.438 39.000 -0.016 0.000 1.129 1195 F HN 0.180 nan 8.300 nan 0.000 0.500 1196 I N -0.606 120.184 120.570 0.365 0.000 3.343 1196 I HA 0.692 4.862 4.170 -0.000 0.000 0.315 1196 I C -1.603 174.747 176.117 0.388 0.000 1.153 1196 I CA -1.207 60.339 61.300 0.409 0.000 0.952 1196 I CB 2.574 40.773 38.000 0.332 0.000 1.287 1196 I HN 0.295 nan 8.210 nan 0.000 0.472 1197 K N 1.560 122.206 120.400 0.410 0.000 2.427 1197 K HA 0.639 4.959 4.320 -0.000 0.000 0.252 1197 K C -1.791 174.997 176.600 0.313 0.000 0.931 1197 K CA -0.743 55.738 56.287 0.324 0.000 0.793 1197 K CB 2.690 35.398 32.500 0.345 0.000 1.211 1197 K HN 0.506 nan 8.250 nan 0.000 0.426 1198 L N 3.194 124.510 121.223 0.156 0.000 2.307 1198 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 1198 L C -1.628 175.310 176.870 0.113 0.000 1.023 1198 L CA -0.257 54.730 54.840 0.245 0.000 0.810 1198 L CB 0.615 42.799 42.059 0.209 0.000 1.231 1198 L HN 0.480 nan 8.230 nan 0.000 0.423 1199 Y N 2.954 123.419 120.300 0.276 0.000 2.536 1199 Y HA 0.634 5.184 4.550 -0.000 0.000 0.347 1199 Y C -0.287 175.693 175.900 0.133 0.000 1.000 1199 Y CA -0.883 57.331 58.100 0.191 0.000 1.051 1199 Y CB 2.116 40.650 38.460 0.123 0.000 1.259 1199 Y HN 0.242 nan 8.280 nan 0.000 0.468 1200 V N 1.709 121.724 119.914 0.168 0.000 2.481 1200 V HA 0.417 4.537 4.120 -0.000 0.000 0.286 1200 V C -0.306 175.834 176.094 0.076 0.000 1.042 1200 V CA -0.512 61.736 62.300 -0.086 0.000 0.928 1200 V CB 1.614 33.361 31.823 -0.126 0.000 0.986 1200 V HN 0.749 nan 8.190 nan 0.000 0.462 1201 S N 5.279 120.984 115.700 0.008 0.000 2.474 1201 S HA 0.782 5.252 4.470 -0.000 0.000 0.321 1201 S C -1.147 173.519 174.600 0.110 0.000 1.080 1201 S CA -0.491 57.722 58.200 0.022 0.000 1.106 1201 S CB 0.318 63.514 63.200 -0.007 0.000 0.984 1201 S HN 0.743 nan 8.310 nan 0.000 0.464 1202 Y N 1.683 122.008 120.300 0.041 0.000 2.592 1202 Y HA 0.501 5.051 4.550 -0.000 0.000 0.334 1202 Y C -0.144 175.792 175.900 0.061 0.000 1.136 1202 Y CA -1.121 56.999 58.100 0.033 0.000 1.042 1202 Y CB 0.409 38.877 38.460 0.015 0.000 1.325 1202 Y HN 0.719 nan 8.280 nan 0.000 0.457 1203 N N 2.889 121.715 118.700 0.209 0.000 2.725 1203 N HA -0.311 4.429 4.740 -0.000 0.000 0.251 1203 N C -0.252 175.265 175.510 0.011 0.000 1.031 1203 N CA 0.899 54.020 53.050 0.120 0.000 0.720 1203 N CB -0.598 37.999 38.487 0.183 0.000 0.930 1203 N HN 0.941 nan 8.380 nan 0.000 0.543 1204 N N -0.997 117.700 118.700 -0.005 0.000 2.681 1204 N HA -0.239 4.501 4.740 -0.000 0.000 0.250 1204 N C -0.756 174.693 175.510 -0.100 0.000 1.133 1204 N CA 1.515 54.540 53.050 -0.042 0.000 0.732 1204 N CB -1.223 37.248 38.487 -0.027 0.000 1.107 1204 N HN 0.693 nan 8.380 nan 0.000 0.559 1205 N N -0.066 118.536 118.700 -0.164 0.000 2.265 1205 N HA 0.278 5.018 4.740 -0.000 0.000 0.300 1205 N C -1.407 173.888 175.510 -0.359 0.000 1.148 1205 N CA -0.501 52.372 53.050 -0.296 0.000 0.772 1205 N CB 1.420 39.680 38.487 -0.378 0.000 1.434 1205 N HN 0.022 nan 8.380 nan 0.000 0.481 1206 E N 1.121 121.079 120.200 -0.404 0.000 2.187 1206 E HA 0.305 4.655 4.350 -0.000 0.000 0.268 1206 E C -1.498 174.928 176.600 -0.290 0.000 0.896 1206 E CA -0.621 55.642 56.400 -0.229 0.000 0.766 1206 E CB 1.790 31.357 29.700 -0.222 0.000 1.142 1206 E HN 0.509 nan 8.360 nan 0.000 0.408 1207 H N 1.289 120.454 119.070 0.159 0.000 2.823 1207 H HA 0.310 4.866 4.556 -0.000 0.000 0.332 1207 H C -0.479 174.922 175.328 0.122 0.000 0.980 1207 H CA -0.611 55.514 56.048 0.127 0.000 1.286 1207 H CB 1.238 31.010 29.762 0.017 0.000 1.541 1207 H HN 0.421 nan 8.280 nan 0.000 0.521 1208 I N 3.265 123.890 120.570 0.090 0.000 2.754 1208 I HA 0.033 4.203 4.170 -0.000 0.000 0.285 1208 I C -0.357 175.734 176.117 -0.043 0.000 1.166 1208 I CA -0.158 60.971 61.300 -0.284 0.000 1.417 1208 I CB 0.438 38.200 38.000 -0.397 0.000 1.382 1208 I HN 0.316 nan 8.210 nan 0.000 0.588 1209 V N 6.966 126.849 119.914 -0.052 0.000 2.439 1209 V HA 0.775 4.895 4.120 -0.000 0.000 0.282 1209 V C 0.542 176.681 176.094 0.075 0.000 1.039 1209 V CA 0.092 62.437 62.300 0.075 0.000 0.913 1209 V CB 0.769 32.678 31.823 0.143 0.000 0.983 1209 V HN 1.005 nan 8.190 nan 0.000 0.460 1210 G N 3.050 111.915 108.800 0.109 0.000 2.554 1210 G HA2 0.491 4.450 3.960 -0.000 0.000 0.306 1210 G HA3 0.491 4.450 3.960 -0.000 0.000 0.306 1210 G C -2.301 172.697 174.900 0.164 0.000 1.320 1210 G CA -0.511 44.668 45.100 0.131 0.000 0.800 1210 G HN 0.534 nan 8.290 nan 0.000 0.481 1211 Y N 1.307 121.627 120.300 0.035 0.000 2.326 1211 Y HA 0.654 5.204 4.550 -0.000 0.000 0.329 1211 Y C -2.575 173.248 175.900 -0.130 0.000 0.973 1211 Y CA -2.798 55.293 58.100 -0.014 0.000 1.162 1211 Y CB 2.514 41.029 38.460 0.091 0.000 1.147 1211 Y HN 0.348 nan 8.280 nan 0.000 0.456 1212 P HA 0.085 nan 4.420 nan 0.000 0.271 1212 P C -0.924 175.750 177.300 -1.044 0.000 1.216 1212 P CA -0.274 62.232 63.100 -0.989 0.000 0.771 1212 P CB 0.706 31.587 31.700 -1.366 0.000 0.864 1213 K N 2.905 122.853 120.400 -0.754 0.000 2.466 1213 K HA -0.116 4.204 4.320 -0.000 0.000 0.278 1213 K C -0.122 176.316 176.600 -0.270 0.000 1.048 1213 K CA 0.640 56.700 56.287 -0.377 0.000 1.088 1213 K CB -0.488 31.880 32.500 -0.219 0.000 0.884 1213 K HN 0.449 nan 8.250 nan 0.000 0.478 1214 D N 1.319 121.641 120.400 -0.129 0.000 3.059 1214 D HA -0.145 4.495 4.640 -0.000 0.000 0.220 1214 D C 0.255 176.501 176.300 -0.090 0.000 1.169 1214 D CA 1.456 55.437 54.000 -0.032 0.000 0.902 1214 D CB -1.294 39.500 40.800 -0.011 0.000 1.116 1214 D HN 0.767 nan 8.370 nan 0.000 0.417 1215 G N 0.130 108.746 108.800 -0.307 0.000 2.606 1215 G HA2 0.194 4.154 3.960 -0.000 0.000 0.252 1215 G HA3 0.194 4.154 3.960 -0.000 0.000 0.252 1215 G C 0.197 175.137 174.900 0.067 0.000 1.206 1215 G CA -0.263 44.710 45.100 -0.211 0.000 0.861 1215 G HN 0.328 nan 8.290 nan 0.000 0.561 1216 N N -0.174 118.534 118.700 0.015 0.000 2.292 1216 N HA 0.270 5.010 4.740 -0.000 0.000 0.258 1216 N C 0.031 175.511 175.510 -0.051 0.000 1.261 1216 N CA 0.499 53.521 53.050 -0.047 0.000 0.845 1216 N CB 0.156 38.577 38.487 -0.111 0.000 1.064 1216 N HN 0.694 nan 8.380 nan 0.000 0.471 1217 A N 3.128 125.834 122.820 -0.190 0.000 2.594 1217 A HA 0.521 4.841 4.320 -0.000 0.000 0.295 1217 A C -1.170 176.153 177.584 -0.435 0.000 1.071 1217 A CA -0.701 51.165 52.037 -0.284 0.000 0.685 1217 A CB 0.614 19.543 19.000 -0.119 0.000 1.285 1217 A HN 0.557 nan 8.150 nan 0.000 0.405 1218 F N 1.819 121.629 119.950 -0.233 0.000 2.450 1218 F HA 0.171 4.698 4.527 -0.000 0.000 0.339 1218 F C 2.200 177.901 175.800 -0.165 0.000 1.146 1218 F CA 0.450 58.279 58.000 -0.285 0.000 1.267 1218 F CB 0.612 39.224 39.000 -0.646 0.000 1.178 1218 F HN 0.833 nan 8.300 nan 0.000 0.585 1219 N N 2.261 121.001 118.700 0.066 0.000 2.132 1219 N HA -0.280 4.460 4.740 -0.000 0.000 0.191 1219 N C 1.258 176.788 175.510 0.033 0.000 1.015 1219 N CA 1.963 55.034 53.050 0.035 0.000 0.864 1219 N CB -0.436 38.078 38.487 0.044 0.000 1.006 1219 N HN 0.770 nan 8.380 nan 0.000 0.430 1220 N N 1.357 120.081 118.700 0.041 0.000 2.571 1220 N HA -0.112 4.627 4.740 -0.000 0.000 0.189 1220 N C 0.442 175.967 175.510 0.025 0.000 1.154 1220 N CA 0.326 53.394 53.050 0.030 0.000 0.907 1220 N CB -0.516 37.979 38.487 0.014 0.000 0.977 1220 N HN 0.472 nan 8.380 nan 0.000 0.449 1221 L N -0.462 120.769 121.223 0.012 0.000 3.624 1221 L HA -0.147 4.193 4.340 -0.000 0.000 0.425 1221 L C -1.515 175.338 176.870 -0.028 0.000 1.247 1221 L CA 0.149 54.981 54.840 -0.012 0.000 0.861 1221 L CB -1.823 40.237 42.059 0.001 0.000 1.965 1221 L HN 0.109 nan 8.230 nan 0.000 0.751 1222 D N 2.212 122.607 120.400 -0.009 0.000 2.365 1222 D HA 0.236 4.876 4.640 -0.000 0.000 0.237 1222 D C 0.720 176.988 176.300 -0.053 0.000 1.190 1222 D CA -0.208 53.799 54.000 0.011 0.000 0.867 1222 D CB 0.704 41.533 40.800 0.048 0.000 1.050 1222 D HN 0.056 nan 8.370 nan 0.000 0.491 1223 R N 2.664 123.044 120.500 -0.202 0.000 2.401 1223 R HA 0.257 4.597 4.340 -0.000 0.000 0.299 1223 R C 0.341 176.526 176.300 -0.190 0.000 1.064 1223 R CA -0.379 55.434 56.100 -0.479 0.000 1.000 1223 R CB 0.226 29.868 30.300 -1.096 0.000 0.973 1223 R HN 0.417 nan 8.270 nan 0.000 0.438 1224 I N 4.482 125.015 120.570 -0.060 0.000 2.452 1224 I HA 0.036 4.205 4.170 -0.000 0.000 0.287 1224 I C 0.857 177.082 176.117 0.181 0.000 1.079 1224 I CA -0.038 61.301 61.300 0.064 0.000 1.387 1224 I CB 0.358 38.340 38.000 -0.030 0.000 1.404 1224 I HN 0.225 nan 8.210 nan 0.000 0.522 1225 L N 7.154 128.489 121.223 0.186 0.000 2.436 1225 L HA 0.403 4.743 4.340 -0.000 0.000 0.265 1225 L C 0.251 177.248 176.870 0.212 0.000 1.168 1225 L CA -0.489 54.471 54.840 0.201 0.000 0.815 1225 L CB 0.202 42.364 42.059 0.171 0.000 1.109 1225 L HN 0.545 nan 8.230 nan 0.000 0.462 1226 R N 1.643 122.248 120.500 0.175 0.000 2.744 1226 R HA 0.594 4.934 4.340 -0.000 0.000 0.279 1226 R C -1.294 175.107 176.300 0.167 0.000 0.977 1226 R CA -0.845 55.361 56.100 0.176 0.000 0.906 1226 R CB 2.151 32.532 30.300 0.135 0.000 1.197 1226 R HN 0.271 nan 8.270 nan 0.000 0.463 1227 V N 0.917 120.929 119.914 0.164 0.000 2.384 1227 V HA 0.399 4.519 4.120 -0.000 0.000 0.287 1227 V C 1.034 177.213 176.094 0.141 0.000 1.020 1227 V CA 0.008 62.390 62.300 0.137 0.000 0.850 1227 V CB 1.324 33.199 31.823 0.087 0.000 0.987 1227 V HN 1.017 nan 8.190 nan 0.000 0.436 1228 G N 3.921 112.829 108.800 0.180 0.000 2.249 1228 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.273 1228 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.273 1228 G C -0.093 174.905 174.900 0.164 0.000 1.036 1228 G CA 0.463 45.683 45.100 0.199 0.000 0.824 1228 G HN 0.950 nan 8.290 nan 0.000 0.504 1229 Y N 1.354 121.684 120.300 0.050 0.000 2.511 1229 Y HA 0.396 4.945 4.550 -0.000 0.000 0.332 1229 Y C 0.929 176.836 175.900 0.012 0.000 1.177 1229 Y CA 0.340 58.454 58.100 0.024 0.000 1.422 1229 Y CB 0.735 39.198 38.460 0.005 0.000 1.271 1229 Y HN 0.343 nan 8.280 nan 0.000 0.550 1230 N N 3.719 122.183 118.700 -0.392 0.000 2.545 1230 N HA 0.179 4.919 4.740 -0.000 0.000 0.283 1230 N C -1.341 173.983 175.510 -0.310 0.000 1.596 1230 N CA -0.137 52.782 53.050 -0.218 0.000 0.862 1230 N CB -0.280 38.154 38.487 -0.089 0.000 1.422 1230 N HN 0.579 nan 8.380 nan 0.000 0.489 1231 A N 1.905 124.387 122.820 -0.564 0.000 2.492 1231 A HA 0.422 4.742 4.320 -0.000 0.000 0.254 1231 A C -1.875 175.640 177.584 -0.113 0.000 1.091 1231 A CA -0.768 51.080 52.037 -0.315 0.000 0.768 1231 A CB -0.221 18.586 19.000 -0.322 0.000 1.028 1231 A HN 0.324 nan 8.150 nan 0.000 0.498 1232 P HA 0.161 nan 4.420 nan 0.000 0.264 1232 P C 1.013 178.301 177.300 -0.020 0.000 1.193 1232 P CA 1.394 64.470 63.100 -0.040 0.000 0.763 1232 P CB 0.815 32.493 31.700 -0.036 0.000 0.810 1233 G N 2.630 111.424 108.800 -0.010 0.000 2.304 1233 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.252 1233 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.252 1233 G C 0.056 174.954 174.900 -0.004 0.000 1.014 1233 G CA -0.124 44.973 45.100 -0.004 0.000 0.619 1233 G HN 0.495 nan 8.290 nan 0.000 0.525 1234 I N 3.501 124.075 120.570 0.007 0.000 2.379 1234 I HA 0.399 4.569 4.170 -0.000 0.000 0.290 1234 I C -1.743 174.344 176.117 -0.051 0.000 1.063 1234 I CA -3.394 57.907 61.300 0.001 0.000 1.351 1234 I CB 0.561 38.615 38.000 0.089 0.000 1.410 1234 I HN -0.090 nan 8.210 nan 0.000 0.505 1235 P HA 0.127 nan 4.420 nan 0.000 0.265 1235 P C -0.748 176.267 177.300 -0.474 0.000 1.193 1235 P CA -0.240 62.700 63.100 -0.265 0.000 0.765 1235 P CB 0.483 32.020 31.700 -0.271 0.000 0.823 1236 L N 4.980 125.988 121.223 -0.358 0.000 2.343 1236 L HA 0.407 4.747 4.340 -0.000 0.000 0.278 1236 L C -1.402 175.347 176.870 -0.202 0.000 0.996 1236 L CA -0.727 53.925 54.840 -0.313 0.000 0.831 1236 L CB 0.465 42.496 42.059 -0.047 0.000 1.232 1236 L HN 0.183 nan 8.230 nan 0.000 0.413 1237 Y N 5.035 125.354 120.300 0.033 0.000 2.452 1237 Y HA 0.388 4.938 4.550 -0.000 0.000 0.348 1237 Y C 0.622 176.590 175.900 0.115 0.000 0.985 1237 Y CA -0.665 57.494 58.100 0.098 0.000 1.214 1237 Y CB 0.687 39.233 38.460 0.144 0.000 1.136 1237 Y HN 0.643 nan 8.280 nan 0.000 0.523 1238 K N 0.265 120.829 120.400 0.273 0.000 2.517 1238 K HA 0.143 4.463 4.320 -0.000 0.000 0.210 1238 K C -0.037 176.677 176.600 0.190 0.000 1.166 1238 K CA -0.383 56.021 56.287 0.196 0.000 1.030 1238 K CB 0.378 32.959 32.500 0.135 0.000 0.974 1238 K HN 0.275 nan 8.250 nan 0.000 0.585 1239 K N 1.849 122.343 120.400 0.157 0.000 2.368 1239 K HA 0.245 4.565 4.320 -0.000 0.000 0.282 1239 K C -0.704 175.993 176.600 0.162 0.000 1.035 1239 K CA 0.041 56.294 56.287 -0.056 0.000 0.973 1239 K CB 0.391 32.612 32.500 -0.465 0.000 0.957 1239 K HN 0.157 nan 8.250 nan 0.000 0.474 1240 M N 2.686 122.401 119.600 0.191 0.000 2.619 1240 M HA 0.274 4.753 4.480 -0.000 0.000 0.297 1240 M C -1.011 175.487 176.300 0.329 0.000 1.229 1240 M CA -0.804 54.665 55.300 0.282 0.000 0.860 1240 M CB 2.404 35.109 32.600 0.176 0.000 1.741 1240 M HN 0.625 nan 8.290 nan 0.000 0.462 1241 E N 1.069 121.434 120.200 0.275 0.000 2.191 1241 E HA 0.608 4.958 4.350 -0.000 0.000 0.263 1241 E C -1.411 175.182 176.600 -0.011 0.000 0.881 1241 E CA -0.551 55.860 56.400 0.019 0.000 0.757 1241 E CB 1.829 31.533 29.700 0.006 0.000 1.147 1241 E HN 0.773 nan 8.360 nan 0.000 0.414 1242 A N 4.157 126.927 122.820 -0.082 0.000 2.350 1242 A HA 0.476 4.796 4.320 -0.000 0.000 0.293 1242 A C -0.162 177.355 177.584 -0.110 0.000 1.231 1242 A CA -0.384 51.594 52.037 -0.098 0.000 0.883 1242 A CB -0.046 18.867 19.000 -0.144 0.000 1.133 1242 A HN 0.426 nan 8.150 nan 0.000 0.533 1243 V N -0.238 119.634 119.914 -0.071 0.000 3.102 1243 V HA 0.866 4.986 4.120 -0.000 0.000 0.312 1243 V C -0.650 175.417 176.094 -0.045 0.000 1.135 1243 V CA -1.205 61.060 62.300 -0.057 0.000 1.022 1243 V CB 2.094 33.908 31.823 -0.014 0.000 1.056 1243 V HN 0.622 nan 8.190 nan 0.000 0.436 1244 K N 1.714 122.091 120.400 -0.038 0.000 2.478 1244 K HA 0.624 4.944 4.320 -0.000 0.000 0.236 1244 K C -0.484 176.107 176.600 -0.017 0.000 1.021 1244 K CA -0.487 55.784 56.287 -0.027 0.000 1.010 1244 K CB 0.654 33.137 32.500 -0.028 0.000 1.331 1244 K HN 0.664 nan 8.250 nan 0.000 0.470 1245 L N 2.973 124.188 121.223 -0.014 0.000 2.554 1245 L HA 0.342 4.682 4.340 -0.000 0.000 0.225 1245 L C 0.281 177.144 176.870 -0.011 0.000 1.104 1245 L CA 0.602 55.442 54.840 -0.001 0.000 0.866 1245 L CB -0.484 41.581 42.059 0.010 0.000 1.047 1245 L HN 0.694 nan 8.230 nan 0.000 0.468 1246 R N -3.562 116.923 120.500 -0.024 0.000 2.764 1246 R HA 0.285 4.624 4.340 -0.000 0.000 0.276 1246 R C -1.132 175.151 176.300 -0.027 0.000 1.021 1246 R CA -0.929 55.155 56.100 -0.026 0.000 0.870 1246 R CB 0.090 30.369 30.300 -0.036 0.000 1.293 1246 R HN -0.221 nan 8.270 nan 0.000 0.469 1247 D N 0.152 120.538 120.400 -0.025 0.000 3.038 1247 D HA -0.154 4.486 4.640 -0.000 0.000 0.229 1247 D C 0.290 176.583 176.300 -0.013 0.000 1.182 1247 D CA 0.614 54.602 54.000 -0.020 0.000 0.852 1247 D CB -0.125 40.656 40.800 -0.033 0.000 0.932 1247 D HN 0.605 nan 8.370 nan 0.000 0.406 1248 L N 1.988 123.203 121.223 -0.014 0.000 2.079 1248 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 1248 L C 2.161 179.027 176.870 -0.007 0.000 1.081 1248 L CA 1.873 56.704 54.840 -0.015 0.000 0.752 1248 L CB -0.018 42.017 42.059 -0.039 0.000 0.896 1248 L HN 0.262 nan 8.230 nan 0.000 0.433 1249 K N -1.656 118.734 120.400 -0.016 0.000 2.459 1249 K HA 0.090 4.409 4.320 -0.000 0.000 0.193 1249 K C 0.305 176.839 176.600 -0.110 0.000 1.030 1249 K CA 0.209 56.493 56.287 -0.005 0.000 1.026 1249 K CB -0.044 32.506 32.500 0.084 0.000 0.809 1249 K HN 0.222 nan 8.250 nan 0.000 0.504 1250 T N 1.083 115.582 114.554 -0.091 0.000 2.845 1250 T HA 0.161 4.511 4.350 -0.000 0.000 0.288 1250 T C -0.472 174.206 174.700 -0.036 0.000 0.980 1250 T CA -0.419 61.605 62.100 -0.127 0.000 1.071 1250 T CB 0.412 69.274 68.868 -0.009 0.000 0.941 1250 T HN 0.013 nan 8.240 nan 0.000 0.487 1251 Y N 2.802 123.205 120.300 0.170 0.000 2.735 1251 Y HA 0.366 4.916 4.550 -0.000 0.000 0.354 1251 Y C 1.259 177.296 175.900 0.229 0.000 1.288 1251 Y CA -1.162 57.026 58.100 0.145 0.000 1.836 1251 Y CB -1.063 37.444 38.460 0.079 0.000 1.920 1251 Y HN 0.575 nan 8.280 nan 0.000 0.438 1252 S N -1.006 114.837 115.700 0.239 0.000 2.709 1252 S HA 0.934 5.404 4.470 -0.000 0.000 0.302 1252 S C -0.879 173.778 174.600 0.094 0.000 1.127 1252 S CA -0.851 57.435 58.200 0.145 0.000 0.905 1252 S CB 2.329 65.480 63.200 -0.081 0.000 1.151 1252 S HN 0.021 nan 8.310 nan 0.000 0.510 1253 V N 0.789 120.772 119.914 0.116 0.000 3.114 1253 V HA 0.597 4.716 4.120 -0.000 0.000 0.308 1253 V C -1.434 174.738 176.094 0.130 0.000 1.168 1253 V CA -0.706 61.639 62.300 0.075 0.000 1.015 1253 V CB 2.356 34.189 31.823 0.017 0.000 1.050 1253 V HN 0.964 nan 8.190 nan 0.000 0.433 1254 Q N 2.156 121.995 119.800 0.064 0.000 2.387 1254 Q HA 0.815 5.154 4.340 -0.000 0.000 0.273 1254 Q C -1.507 174.529 176.000 0.060 0.000 1.089 1254 Q CA -0.314 55.532 55.803 0.070 0.000 0.824 1254 Q CB 2.524 31.242 28.738 -0.033 0.000 1.367 1254 Q HN 0.584 nan 8.270 nan 0.000 0.443 1255 L N 1.164 122.430 121.223 0.072 0.000 2.381 1255 L HA 0.580 4.920 4.340 -0.000 0.000 0.274 1255 L C -0.710 176.181 176.870 0.034 0.000 0.988 1255 L CA -0.722 54.143 54.840 0.043 0.000 0.824 1255 L CB 1.947 44.017 42.059 0.019 0.000 1.263 1255 L HN 0.389 nan 8.230 nan 0.000 0.410 1256 K N 3.658 124.088 120.400 0.050 0.000 2.339 1256 K HA 0.508 4.828 4.320 -0.000 0.000 0.264 1256 K C -1.371 175.220 176.600 -0.015 0.000 0.986 1256 K CA -0.731 55.569 56.287 0.023 0.000 0.866 1256 K CB 1.600 34.143 32.500 0.072 0.000 1.103 1256 K HN 0.408 nan 8.250 nan 0.000 0.441 1257 L N 5.002 126.190 121.223 -0.059 0.000 2.312 1257 L HA 0.407 4.747 4.340 -0.000 0.000 0.281 1257 L C -1.563 175.196 176.870 -0.185 0.000 1.070 1257 L CA -0.002 54.832 54.840 -0.009 0.000 0.805 1257 L CB 0.509 42.599 42.059 0.052 0.000 1.174 1257 L HN 0.571 nan 8.230 nan 0.000 0.434 1258 Y N 1.712 122.047 120.300 0.060 0.000 2.562 1258 Y HA 0.449 4.998 4.550 -0.000 0.000 0.343 1258 Y C -0.038 175.814 175.900 -0.079 0.000 1.025 1258 Y CA -0.880 57.216 58.100 -0.006 0.000 1.082 1258 Y CB 1.395 39.837 38.460 -0.031 0.000 1.264 1258 Y HN 0.750 nan 8.280 nan 0.000 0.478 1259 D N -1.219 119.148 120.400 -0.054 0.000 2.507 1259 D HA 0.085 4.724 4.640 -0.000 0.000 0.280 1259 D C 0.066 176.276 176.300 -0.149 0.000 1.219 1259 D CA -0.287 53.419 54.000 -0.492 0.000 1.085 1259 D CB 0.405 40.668 40.800 -0.894 0.000 1.134 1259 D HN 0.405 nan 8.370 nan 0.000 0.583 1260 D N -1.330 119.021 120.400 -0.081 0.000 2.348 1260 D HA -0.035 4.605 4.640 -0.000 0.000 0.216 1260 D C 0.889 177.204 176.300 0.024 0.000 0.970 1260 D CA 0.714 54.771 54.000 0.094 0.000 0.889 1260 D CB 0.045 40.984 40.800 0.232 0.000 0.912 1260 D HN 0.374 nan 8.370 nan 0.000 0.524 1261 K N 0.252 120.640 120.400 -0.020 0.000 2.404 1261 K HA 0.095 4.415 4.320 -0.000 0.000 0.194 1261 K C 0.007 176.593 176.600 -0.023 0.000 1.023 1261 K CA -0.113 56.165 56.287 -0.015 0.000 1.094 1261 K CB 0.452 32.945 32.500 -0.011 0.000 0.841 1261 K HN -0.145 nan 8.250 nan 0.000 0.523 1262 N N -0.269 118.421 118.700 -0.017 0.000 2.815 1262 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 1262 N C -0.990 174.626 175.510 0.177 0.000 1.114 1262 N CA 0.951 53.997 53.050 -0.007 0.000 0.717 1262 N CB -1.492 36.896 38.487 -0.165 0.000 1.074 1262 N HN 0.309 nan 8.380 nan 0.000 0.555 1263 A N 0.047 122.950 122.820 0.138 0.000 2.306 1263 A HA 0.600 4.920 4.320 -0.000 0.000 0.314 1263 A C 0.688 178.312 177.584 0.067 0.000 1.164 1263 A CA -0.089 52.006 52.037 0.097 0.000 0.822 1263 A CB 1.092 20.094 19.000 0.004 0.000 1.130 1263 A HN 0.249 nan 8.150 nan 0.000 0.496 1264 S N 1.390 117.070 115.700 -0.033 0.000 2.525 1264 S HA 0.198 4.668 4.470 -0.000 0.000 0.285 1264 S C 0.706 175.240 174.600 -0.109 0.000 1.283 1264 S CA -0.281 57.793 58.200 -0.210 0.000 1.072 1264 S CB -0.296 62.794 63.200 -0.183 0.000 0.867 1264 S HN 0.560 nan 8.310 nan 0.000 0.492 1265 L N 4.807 125.954 121.223 -0.127 0.000 2.640 1265 L HA 0.382 4.722 4.340 -0.000 0.000 0.230 1265 L C 1.234 178.105 176.870 0.003 0.000 1.123 1265 L CA 0.296 55.102 54.840 -0.058 0.000 0.900 1265 L CB -0.636 41.392 42.059 -0.052 0.000 1.146 1265 L HN 0.993 nan 8.230 nan 0.000 0.484 1266 G N 0.290 109.129 108.800 0.064 0.000 2.479 1266 G HA2 -0.106 3.853 3.960 -0.000 0.000 0.686 1266 G HA3 -0.106 3.853 3.960 -0.000 0.000 0.686 1266 G C -0.912 174.064 174.900 0.128 0.000 1.295 1266 G CA -1.034 44.182 45.100 0.193 0.000 0.922 1266 G HN -0.075 nan 8.290 nan 0.000 0.582 1267 L N 0.080 121.353 121.223 0.083 0.000 2.371 1267 L HA 0.438 4.778 4.340 -0.000 0.000 0.272 1267 L C 1.178 178.112 176.870 0.107 0.000 1.124 1267 L CA -0.953 53.882 54.840 -0.009 0.000 0.816 1267 L CB 1.189 43.103 42.059 -0.241 0.000 1.129 1267 L HN 0.463 nan 8.230 nan 0.000 0.448 1268 V N 2.477 122.442 119.914 0.085 0.000 2.585 1268 V HA 0.457 4.577 4.120 -0.000 0.000 0.296 1268 V C 0.785 177.060 176.094 0.301 0.000 1.035 1268 V CA 0.539 62.935 62.300 0.160 0.000 1.084 1268 V CB 0.626 32.462 31.823 0.022 0.000 0.953 1268 V HN 1.032 nan 8.190 nan 0.000 0.483 1269 G N 3.674 112.694 108.800 0.367 0.000 2.772 1269 G HA2 0.739 4.698 3.960 -0.000 0.000 0.284 1269 G HA3 0.739 4.698 3.960 -0.000 0.000 0.284 1269 G C -0.587 174.556 174.900 0.404 0.000 1.217 1269 G CA 0.217 45.523 45.100 0.344 0.000 0.831 1269 G HN 0.823 nan 8.290 nan 0.000 0.523 1270 T N -2.837 111.896 114.554 0.299 0.000 2.906 1270 T HA 0.711 5.061 4.350 -0.000 0.000 0.295 1270 T C -1.370 173.408 174.700 0.129 0.000 1.075 1270 T CA -0.649 61.587 62.100 0.227 0.000 1.005 1270 T CB 2.318 71.288 68.868 0.171 0.000 1.136 1270 T HN 0.795 nan 8.240 nan 0.000 0.498 1271 H N 1.722 120.767 119.070 -0.041 0.000 2.759 1271 H HA 0.384 4.940 4.556 -0.000 0.000 0.354 1271 H C -1.117 174.024 175.328 -0.312 0.000 1.074 1271 H CA -0.531 55.346 56.048 -0.285 0.000 1.226 1271 H CB 2.065 31.515 29.762 -0.520 0.000 1.648 1271 H HN 0.797 nan 8.280 nan 0.000 0.529 1272 N N 2.647 121.032 118.700 -0.524 0.000 2.472 1272 N HA 0.392 5.131 4.740 -0.000 0.000 0.277 1272 N C -0.190 175.166 175.510 -0.257 0.000 1.081 1272 N CA 0.706 53.577 53.050 -0.299 0.000 0.973 1272 N CB 1.214 39.531 38.487 -0.284 0.000 1.105 1272 N HN 0.930 nan 8.380 nan 0.000 0.470 1273 G N 1.618 110.380 108.800 -0.062 0.000 2.333 1273 G HA2 0.153 4.113 3.960 -0.000 0.000 0.288 1273 G HA3 0.153 4.113 3.960 -0.000 0.000 0.288 1273 G C -2.286 172.677 174.900 0.106 0.000 1.286 1273 G CA -0.528 44.600 45.100 0.048 0.000 0.865 1273 G HN 0.624 nan 8.290 nan 0.000 0.506 1274 Q N -0.589 119.301 119.800 0.151 0.000 2.379 1274 Q HA 0.685 5.024 4.340 -0.000 0.000 0.278 1274 Q C -1.531 174.483 176.000 0.025 0.000 1.068 1274 Q CA -0.862 54.977 55.803 0.061 0.000 0.816 1274 Q CB 2.380 31.137 28.738 0.031 0.000 1.387 1274 Q HN 0.688 nan 8.270 nan 0.000 0.413 1275 I N 1.726 122.264 120.570 -0.053 0.000 2.382 1275 I HA 0.547 4.717 4.170 -0.000 0.000 0.286 1275 I C 0.880 176.992 176.117 -0.008 0.000 1.002 1275 I CA 0.175 61.418 61.300 -0.095 0.000 1.135 1275 I CB 1.276 39.117 38.000 -0.265 0.000 1.288 1275 I HN 1.041 nan 8.210 nan 0.000 0.448 1276 G N 6.074 114.871 108.800 -0.007 0.000 2.556 1276 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.283 1276 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.283 1276 G C 0.497 175.406 174.900 0.016 0.000 1.177 1276 G CA 0.209 45.316 45.100 0.013 0.000 0.978 1276 G HN 0.660 nan 8.290 nan 0.000 0.554 1277 N N 1.923 120.636 118.700 0.022 0.000 2.251 1277 N HA 0.136 4.876 4.740 -0.000 0.000 0.217 1277 N C -0.511 175.010 175.510 0.018 0.000 1.124 1277 N CA 0.005 53.065 53.050 0.017 0.000 0.843 1277 N CB 0.117 38.612 38.487 0.014 0.000 1.024 1277 N HN 0.418 nan 8.380 nan 0.000 0.501 1278 D N 1.935 122.352 120.400 0.028 0.000 2.362 1278 D HA 0.159 4.799 4.640 -0.000 0.000 0.242 1278 D C -1.920 174.382 176.300 0.003 0.000 1.132 1278 D CA -1.063 52.951 54.000 0.023 0.000 0.907 1278 D CB 0.507 41.347 40.800 0.068 0.000 1.195 1278 D HN 0.120 nan 8.370 nan 0.000 0.429 1279 P HA -0.055 nan 4.420 nan 0.000 0.268 1279 P C 0.119 177.407 177.300 -0.020 0.000 1.208 1279 P CA -0.270 62.818 63.100 -0.020 0.000 0.777 1279 P CB 0.452 32.133 31.700 -0.030 0.000 0.875 1280 N N 2.775 121.470 118.700 -0.009 0.000 2.454 1280 N HA 0.004 4.744 4.740 -0.000 0.000 0.260 1280 N C -0.353 175.157 175.510 0.000 0.000 1.218 1280 N CA 0.415 53.463 53.050 -0.002 0.000 0.904 1280 N CB 0.284 38.767 38.487 -0.007 0.000 1.065 1280 N HN 0.358 nan 8.380 nan 0.000 0.462 1281 R N 1.260 121.772 120.500 0.019 0.000 2.739 1281 R HA 0.238 4.578 4.340 -0.000 0.000 0.271 1281 R C -1.399 174.958 176.300 0.096 0.000 1.010 1281 R CA -0.782 55.356 56.100 0.063 0.000 0.897 1281 R CB 1.374 31.698 30.300 0.040 0.000 1.236 1281 R HN 0.535 nan 8.270 nan 0.000 0.466 1282 D N 2.571 123.057 120.400 0.143 0.000 2.441 1282 D HA 0.204 4.844 4.640 -0.000 0.000 0.221 1282 D C -0.245 176.200 176.300 0.242 0.000 1.156 1282 D CA 0.177 54.252 54.000 0.126 0.000 0.896 1282 D CB 0.631 41.483 40.800 0.086 0.000 1.028 1282 D HN 0.237 nan 8.370 nan 0.000 0.509 1283 I N 2.268 122.983 120.570 0.242 0.000 2.396 1283 I HA 0.093 4.263 4.170 -0.000 0.000 0.292 1283 I C 0.817 177.127 176.117 0.322 0.000 0.999 1283 I CA -0.641 60.859 61.300 0.333 0.000 1.310 1283 I CB 1.363 39.509 38.000 0.243 0.000 1.404 1283 I HN 0.074 nan 8.210 nan 0.000 0.496 1284 L N 6.959 128.390 121.223 0.346 0.000 2.455 1284 L HA 0.225 4.565 4.340 -0.000 0.000 0.272 1284 L C -0.166 176.859 176.870 0.258 0.000 1.174 1284 L CA 0.213 55.232 54.840 0.298 0.000 0.869 1284 L CB 0.188 42.391 42.059 0.240 0.000 1.130 1284 L HN 0.540 nan 8.230 nan 0.000 0.474 1285 I N 0.876 121.594 120.570 0.246 0.000 3.354 1285 I HA 0.886 5.056 4.170 -0.000 0.000 0.316 1285 I C -0.710 175.510 176.117 0.172 0.000 1.182 1285 I CA -0.919 60.497 61.300 0.193 0.000 0.942 1285 I CB 1.968 40.099 38.000 0.217 0.000 1.299 1285 I HN 0.424 nan 8.210 nan 0.000 0.473 1286 A N 1.008 123.889 122.820 0.102 0.000 2.356 1286 A HA 0.894 5.214 4.320 -0.000 0.000 0.310 1286 A C -0.696 176.951 177.584 0.106 0.000 1.075 1286 A CA -0.392 51.708 52.037 0.105 0.000 0.746 1286 A CB 1.211 20.227 19.000 0.028 0.000 1.221 1286 A HN 0.966 nan 8.150 nan 0.000 0.443 1287 S N 1.182 117.001 115.700 0.200 0.000 2.546 1287 S HA 0.342 4.812 4.470 -0.000 0.000 0.272 1287 S C -0.019 174.719 174.600 0.231 0.000 1.140 1287 S CA -0.692 57.605 58.200 0.163 0.000 0.920 1287 S CB 1.033 64.284 63.200 0.084 0.000 1.083 1287 S HN 0.634 nan 8.310 nan 0.000 0.476 1288 N N 2.048 120.884 118.700 0.226 0.000 2.494 1288 N HA -0.030 4.710 4.740 -0.000 0.000 0.182 1288 N C 1.211 176.920 175.510 0.332 0.000 1.076 1288 N CA 0.442 53.709 53.050 0.362 0.000 0.908 1288 N CB -0.195 38.458 38.487 0.275 0.000 0.967 1288 N HN 0.837 nan 8.380 nan 0.000 0.449 1289 W N 1.527 122.822 121.300 -0.008 0.000 2.325 1289 W HA -0.246 4.413 4.660 -0.000 0.000 0.299 1289 W C 1.329 177.833 176.519 -0.026 0.000 1.215 1289 W CA 1.377 58.681 57.345 -0.068 0.000 1.244 1289 W CB -0.471 28.834 29.460 -0.258 0.000 1.140 1289 W HN 0.031 nan 8.180 nan 0.000 0.523 1290 Y N -0.815 119.612 120.300 0.213 0.000 2.256 1290 Y HA -0.214 4.335 4.550 -0.000 0.000 0.288 1290 Y C 2.085 177.856 175.900 -0.215 0.000 1.155 1290 Y CA 1.707 59.767 58.100 -0.065 0.000 1.203 1290 Y CB -1.484 36.901 38.460 -0.125 0.000 0.980 1290 Y HN -0.098 nan 8.280 nan 0.000 0.530 1291 F N -0.314 119.695 119.950 0.098 0.000 2.333 1291 F HA -0.191 4.336 4.527 -0.000 0.000 0.300 1291 F C 2.072 177.807 175.800 -0.108 0.000 1.083 1291 F CA 1.328 59.331 58.000 0.004 0.000 1.395 1291 F CB -0.519 38.483 39.000 0.003 0.000 1.056 1291 F HN 0.180 nan 8.300 nan 0.000 0.529 1292 N N -1.236 117.421 118.700 -0.073 0.000 2.314 1292 N HA -0.050 4.690 4.740 -0.000 0.000 0.200 1292 N C -0.033 175.042 175.510 -0.726 0.000 1.135 1292 N CA 0.243 53.091 53.050 -0.338 0.000 0.835 1292 N CB -0.039 38.217 38.487 -0.385 0.000 0.989 1292 N HN 0.326 nan 8.380 nan 0.000 0.478 1293 H N -0.677 118.201 119.070 -0.320 0.000 2.665 1293 H HA 0.226 4.781 4.556 -0.000 0.000 0.248 1293 H C 0.997 176.230 175.328 -0.158 0.000 1.175 1293 H CA -0.245 55.619 56.048 -0.307 0.000 0.952 1293 H CB 0.446 29.866 29.762 -0.571 0.000 1.883 1293 H HN 0.071 nan 8.280 nan 0.000 0.623 1294 L N 0.022 121.211 121.223 -0.056 0.000 2.456 1294 L HA -0.067 4.273 4.340 -0.000 0.000 0.224 1294 L C 1.556 178.409 176.870 -0.028 0.000 1.148 1294 L CA 1.283 56.106 54.840 -0.029 0.000 0.825 1294 L CB -0.007 42.046 42.059 -0.010 0.000 0.937 1294 L HN 0.190 nan 8.230 nan 0.000 0.450 1295 K N -0.874 119.504 120.400 -0.037 0.000 2.367 1295 K HA 0.061 4.381 4.320 -0.000 0.000 0.194 1295 K C -0.007 176.586 176.600 -0.012 0.000 1.027 1295 K CA -0.301 55.970 56.287 -0.027 0.000 1.075 1295 K CB 0.272 32.751 32.500 -0.036 0.000 0.845 1295 K HN 0.165 nan 8.250 nan 0.000 0.529 1296 D N 1.500 121.901 120.400 0.002 0.000 2.390 1296 D HA -0.078 4.562 4.640 -0.000 0.000 0.236 1296 D C 0.990 177.297 176.300 0.011 0.000 1.189 1296 D CA 0.412 54.425 54.000 0.022 0.000 0.887 1296 D CB 0.785 41.617 40.800 0.053 0.000 1.198 1296 D HN -0.095 nan 8.370 nan 0.000 0.444 1297 K N 0.404 120.814 120.400 0.015 0.000 2.001 1297 K HA -0.057 4.262 4.320 -0.000 0.000 0.208 1297 K C 0.297 176.898 176.600 0.001 0.000 1.048 1297 K CA 0.892 57.186 56.287 0.010 0.000 0.932 1297 K CB 0.213 32.723 32.500 0.017 0.000 0.715 1297 K HN 0.312 nan 8.250 nan 0.000 0.437 1298 I N 1.825 122.397 120.570 0.004 0.000 2.474 1298 I HA 0.345 4.515 4.170 -0.000 0.000 0.294 1298 I C -0.895 175.218 176.117 -0.007 0.000 1.005 1298 I CA -1.012 60.279 61.300 -0.015 0.000 1.113 1298 I CB 1.447 39.441 38.000 -0.010 0.000 1.289 1298 I HN 0.065 nan 8.210 nan 0.000 0.436 1299 L N 3.641 124.834 121.223 -0.050 0.000 2.455 1299 L HA 0.606 4.946 4.340 -0.000 0.000 0.264 1299 L C 0.940 177.734 176.870 -0.127 0.000 0.968 1299 L CA -0.035 54.798 54.840 -0.011 0.000 0.827 1299 L CB 2.191 44.248 42.059 -0.004 0.000 1.317 1299 L HN 0.706 nan 8.230 nan 0.000 0.407 1300 G N 1.549 110.340 108.800 -0.015 0.000 2.653 1300 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.212 1300 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.212 1300 G C 0.849 175.423 174.900 -0.543 0.000 1.138 1300 G CA 0.872 45.875 45.100 -0.161 0.000 0.782 1300 G HN 0.870 nan 8.290 nan 0.000 0.535 1301 C N -0.761 118.056 119.300 -0.806 0.000 2.974 1301 C HA 0.368 4.828 4.460 -0.000 0.000 0.282 1301 C C -0.366 174.291 174.990 -0.555 0.000 1.292 1301 C CA -1.580 56.949 59.018 -0.815 0.000 1.710 1301 C CB -0.489 26.555 27.740 -1.160 0.000 2.036 1301 C HN 0.096 nan 8.230 nan 0.000 0.629 1302 D N 0.715 120.747 120.400 -0.613 0.000 2.225 1302 D HA 0.414 5.054 4.640 -0.000 0.000 0.248 1302 D C -0.891 174.987 176.300 -0.703 0.000 1.096 1302 D CA 0.476 54.198 54.000 -0.464 0.000 0.863 1302 D CB 0.759 41.343 40.800 -0.360 0.000 1.156 1302 D HN 0.604 nan 8.370 nan 0.000 0.450 1303 W N 1.327 122.522 121.300 -0.175 0.000 2.819 1303 W HA 0.350 5.010 4.660 -0.001 0.000 0.337 1303 W C -0.615 175.881 176.519 -0.038 0.000 1.077 1303 W CA -0.949 56.307 57.345 -0.148 0.000 1.226 1303 W CB 1.045 30.435 29.460 -0.117 0.000 1.419 1303 W HN 0.197 nan 8.180 nan 0.000 0.502 1304 Y N 1.918 122.389 120.300 0.285 0.000 2.323 1304 Y HA 0.442 4.992 4.550 -0.000 0.000 0.331 1304 Y C -0.392 175.631 175.900 0.206 0.000 1.092 1304 Y CA -1.174 57.097 58.100 0.285 0.000 1.150 1304 Y CB 0.606 39.217 38.460 0.253 0.000 1.200 1304 Y HN 0.114 nan 8.280 nan 0.000 0.472 1305 F N 2.519 122.589 119.950 0.200 0.000 2.332 1305 F HA 0.449 4.975 4.527 -0.000 0.000 0.368 1305 F C -0.504 175.405 175.800 0.181 0.000 1.110 1305 F CA -1.136 56.889 58.000 0.040 0.000 1.087 1305 F CB 0.940 39.693 39.000 -0.412 0.000 1.235 1305 F HN 0.051 nan 8.300 nan 0.000 0.470 1306 V N 6.297 126.427 119.914 0.360 0.000 2.311 1306 V HA 0.377 4.497 4.120 -0.000 0.000 0.275 1306 V C -2.189 174.225 176.094 0.535 0.000 1.022 1306 V CA -1.788 60.663 62.300 0.250 0.000 0.830 1306 V CB 0.920 32.683 31.823 -0.100 0.000 1.012 1306 V HN 0.428 nan 8.190 nan 0.000 0.452 1307 P HA 0.282 nan 4.420 nan 0.000 0.284 1307 P C 0.004 177.622 177.300 0.529 0.000 1.258 1307 P CA -0.236 63.098 63.100 0.390 0.000 0.824 1307 P CB 1.132 32.988 31.700 0.260 0.000 1.038 1308 T N -0.556 114.121 114.554 0.204 0.000 2.928 1308 T HA 0.195 4.544 4.350 -0.000 0.000 0.305 1308 T C -0.181 174.580 174.700 0.102 0.000 1.035 1308 T CA -0.121 61.872 62.100 -0.178 0.000 1.145 1308 T CB 0.216 68.859 68.868 -0.375 0.000 0.963 1308 T HN 0.496 nan 8.240 nan 0.000 0.545 1309 D N 1.277 121.782 120.400 0.175 0.000 2.859 1309 D HA 0.093 4.733 4.640 -0.000 0.000 0.223 1309 D C 0.919 177.257 176.300 0.064 0.000 1.218 1309 D CA -0.530 53.514 54.000 0.074 0.000 0.850 1309 D CB 2.028 42.754 40.800 -0.125 0.000 1.656 1309 D HN 0.816 nan 8.370 nan 0.000 0.484 1310 E N 1.439 121.657 120.200 0.030 0.000 2.338 1310 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 1310 E C 1.337 178.006 176.600 0.115 0.000 1.007 1310 E CA 0.917 57.366 56.400 0.082 0.000 0.849 1310 E CB -0.148 29.597 29.700 0.075 0.000 0.774 1310 E HN 0.426 nan 8.360 nan 0.000 0.506 1311 G N 0.470 109.291 108.800 0.036 0.000 2.744 1311 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.211 1311 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.211 1311 G C -0.303 174.577 174.900 -0.034 0.000 1.143 1311 G CA -0.133 44.949 45.100 -0.029 0.000 0.788 1311 G HN 0.320 nan 8.290 nan 0.000 0.534 1312 W N 1.441 122.654 121.300 -0.146 0.000 2.687 1312 W HA 0.571 5.231 4.660 0.000 0.000 0.328 1312 W C -1.527 175.068 176.519 0.128 0.000 1.012 1312 W CA -0.806 56.516 57.345 -0.040 0.000 1.262 1312 W CB 1.337 30.814 29.460 0.029 0.000 1.331 1312 W HN -0.209 nan 8.180 nan 0.000 0.433 1313 T N 5.855 120.464 114.554 0.091 0.000 2.812 1313 T HA 0.261 4.610 4.350 -0.000 0.000 0.282 1313 T C 0.057 174.744 174.700 -0.022 0.000 0.990 1313 T CA -0.503 61.694 62.100 0.161 0.000 0.960 1313 T CB 1.120 70.018 68.868 0.050 0.000 0.948 1313 T HN 0.209 nan 8.240 nan 0.000 0.438 1314 N N 3.252 122.063 118.700 0.186 0.000 2.518 1314 N HA 0.131 4.871 4.740 -0.000 0.000 0.266 1314 N C 0.017 175.513 175.510 -0.023 0.000 1.196 1314 N CA -0.111 53.035 53.050 0.160 0.000 0.947 1314 N CB 0.682 39.349 38.487 0.300 0.000 1.098 1314 N HN 0.576 nan 8.380 nan 0.000 0.450 1315 D N 0.000 120.270 120.400 -0.217 0.000 6.856 1315 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 1315 D CA 0.000 53.770 54.000 -0.383 0.000 0.868 1315 D CB 0.000 40.191 40.800 -1.014 0.000 0.688 1315 D HN 0.000 nan 8.370 nan 0.000 0.683