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 1gk0_1_D DATA FIRST_RESID 1 DATA SEQUENCE SNSWAVAPGK TANGNALLLQ NPHLSWTTDY FTYYEAHLVT PDFEIYGATQ DATA SEQUENCE IGLPVIRFAF NQRXGITNTV NGXVGATNYR LTLQDGGYLY DGQVRPFERR DATA SEQUENCE QASYRLRQAD GTTVDKPLEI RSSVHGPVFE RADGTAVAVR VAGLDRPGXL DATA SEQUENCE EQYFDXITAD SFDDYEAALA RXQVPTFNIV YADREGTINY SFNGVAPKRA DATA SEQUENCE EGDIAFWQGL VPGDSSRYLW TETHPLDDLP RVTNPPGGFV QNSNDPPWTP DATA SEQUENCE TWPVTYTPKD FPSYLAPQTP HSLRAQQSVR LXSENDDLTL ERFXALQLSH DATA SEQUENCE RAVXADRTLP DLIPAALIDP DPEVQAAARL LAAWDREFTS DSRAALLFEE DATA SEQUENCE WARLFAGQNF AGQAGFATPW SLDKPVSTPY GVRDPKAAVD QLRTAIANTK DATA SEQUENCE RKYGAIDRPF GDASRXILND VNVPGAAGYG NLGSFRVFTW SDPDENGVRT DATA SEQUENCE PVHGETWVAX IEFSTPVRAY GLXSYGNSRQ PGTTHYSDQI ERVSRADFRE DATA SEQUENCE LLLRREQVEA AVQERTPFNF KP 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.258 174.600 -0.570 0.000 1.055 1 S CA 0.000 57.780 58.200 -0.701 0.000 1.107 1 S CB 0.000 63.065 63.200 -0.226 0.000 0.593 2 N N 1.347 119.640 118.700 -0.679 0.000 2.328 2 N HA 0.810 5.557 4.740 0.013 0.000 0.299 2 N C -1.218 174.125 175.510 -0.279 0.000 1.179 2 N CA -0.691 52.056 53.050 -0.505 0.000 0.793 2 N CB 2.015 39.956 38.487 -0.910 0.000 1.366 2 N HN 0.783 nan 8.380 nan 0.000 0.493 3 S N -0.282 115.338 115.700 -0.133 0.000 2.626 3 S HA 0.581 5.059 4.470 0.013 0.000 0.275 3 S C -1.892 172.878 174.600 0.283 0.000 1.175 3 S CA -0.948 57.293 58.200 0.069 0.000 0.982 3 S CB 0.950 64.258 63.200 0.180 0.000 1.093 3 S HN 0.442 nan 8.310 nan 0.000 0.472 4 W N 1.348 122.801 121.300 0.255 0.000 2.915 4 W HA 0.809 5.476 4.660 0.012 0.000 0.337 4 W C -0.500 176.222 176.519 0.338 0.000 1.102 4 W CA -1.211 56.323 57.345 0.316 0.000 1.224 4 W CB 2.208 31.874 29.460 0.343 0.000 1.416 4 W HN 1.095 nan 8.180 nan 0.000 0.503 5 A N 2.507 125.631 122.820 0.506 0.000 2.375 5 A HA 0.771 5.099 4.320 0.013 0.000 0.295 5 A C -1.652 176.062 177.584 0.216 0.000 1.066 5 A CA -0.557 51.661 52.037 0.302 0.000 0.722 5 A CB 1.242 20.392 19.000 0.251 0.000 1.206 5 A HN 0.262 nan 8.150 nan 0.000 0.435 6 V N 2.129 122.080 119.914 0.061 0.000 2.448 6 V HA 0.677 4.805 4.120 0.013 0.000 0.295 6 V C 0.813 176.892 176.094 -0.025 0.000 1.025 6 V CA -0.369 61.931 62.300 0.000 0.000 0.859 6 V CB 1.326 33.046 31.823 -0.172 0.000 0.988 6 V HN 1.244 nan 8.190 nan 0.000 0.431 7 A N 6.253 129.077 122.820 0.005 0.000 2.366 7 A HA 0.535 4.863 4.320 0.013 0.000 0.249 7 A C -1.402 176.160 177.584 -0.036 0.000 1.084 7 A CA -1.001 51.025 52.037 -0.018 0.000 0.794 7 A CB 0.043 19.037 19.000 -0.011 0.000 1.034 7 A HN 0.698 nan 8.150 nan 0.000 0.491 8 P HA -0.160 nan 4.420 nan 0.000 0.216 8 P C 1.664 178.942 177.300 -0.036 0.000 1.153 8 P CA 2.096 65.173 63.100 -0.039 0.000 0.858 8 P CB 0.042 31.723 31.700 -0.031 0.000 0.789 9 G N -0.308 108.475 108.800 -0.027 0.000 2.485 9 G HA2 -0.284 3.684 3.960 0.013 0.000 0.221 9 G HA3 -0.284 3.684 3.960 0.013 0.000 0.221 9 G C 1.497 176.383 174.900 -0.023 0.000 1.115 9 G CA 0.705 45.791 45.100 -0.022 0.000 0.751 9 G HN 0.312 nan 8.290 nan 0.000 0.567 10 K N 0.448 120.833 120.400 -0.025 0.000 2.404 10 K HA 0.094 4.422 4.320 0.013 0.000 0.194 10 K C 0.801 177.365 176.600 -0.060 0.000 1.023 10 K CA 0.434 56.703 56.287 -0.029 0.000 1.094 10 K CB 0.141 32.638 32.500 -0.005 0.000 0.841 10 K HN 0.421 nan 8.250 nan 0.000 0.523 11 T N -4.301 110.213 114.554 -0.067 0.000 2.948 11 T HA 0.529 4.886 4.350 0.013 0.000 0.285 11 T C 1.037 175.700 174.700 -0.063 0.000 1.019 11 T CA -0.530 61.520 62.100 -0.084 0.000 1.013 11 T CB 1.837 70.641 68.868 -0.106 0.000 1.117 11 T HN -0.031 nan 8.240 nan 0.000 0.533 12 A N 1.131 123.913 122.820 -0.064 0.000 1.898 12 A HA 0.082 4.410 4.320 0.013 0.000 0.214 12 A C 1.983 179.541 177.584 -0.043 0.000 1.183 12 A CA 0.629 52.636 52.037 -0.049 0.000 0.622 12 A CB -0.715 18.256 19.000 -0.048 0.000 0.824 12 A HN 0.777 nan 8.150 nan 0.000 0.444 13 N N -0.844 117.828 118.700 -0.048 0.000 2.353 13 N HA 0.180 4.928 4.740 0.013 0.000 0.185 13 N C 1.046 176.535 175.510 -0.034 0.000 1.098 13 N CA 0.994 54.021 53.050 -0.038 0.000 0.872 13 N CB 0.448 38.911 38.487 -0.040 0.000 0.970 13 N HN 0.638 nan 8.380 nan 0.000 0.467 14 G N 0.612 109.388 108.800 -0.040 0.000 2.136 14 G HA2 -0.263 3.705 3.960 0.013 0.000 0.242 14 G HA3 -0.263 3.705 3.960 0.013 0.000 0.242 14 G C -0.467 174.416 174.900 -0.028 0.000 0.989 14 G CA -0.233 44.848 45.100 -0.032 0.000 0.682 14 G HN 0.448 nan 8.290 nan 0.000 0.522 15 N N 0.268 118.947 118.700 -0.036 0.000 2.321 15 N HA 0.675 5.422 4.740 0.013 0.000 0.299 15 N C 0.318 175.811 175.510 -0.029 0.000 1.048 15 N CA -0.191 52.851 53.050 -0.014 0.000 0.836 15 N CB 1.639 40.122 38.487 -0.007 0.000 1.269 15 N HN 0.563 nan 8.380 nan 0.000 0.486 16 A N 2.108 124.938 122.820 0.016 0.000 2.520 16 A HA 0.268 4.596 4.320 0.013 0.000 0.235 16 A C -0.278 177.314 177.584 0.013 0.000 1.065 16 A CA 0.159 52.200 52.037 0.007 0.000 0.764 16 A CB -0.056 18.949 19.000 0.008 0.000 1.002 16 A HN 0.627 nan 8.150 nan 0.000 0.502 17 L N 1.585 122.714 121.223 -0.157 0.000 2.346 17 L HA 0.690 5.038 4.340 0.013 0.000 0.274 17 L C -0.620 176.150 176.870 -0.167 0.000 1.007 17 L CA -0.821 53.786 54.840 -0.388 0.000 0.818 17 L CB 1.650 43.059 42.059 -1.083 0.000 1.284 17 L HN 0.676 nan 8.230 nan 0.000 0.424 18 L N 3.228 124.445 121.223 -0.010 0.000 2.408 18 L HA 0.669 5.017 4.340 0.013 0.000 0.268 18 L C -1.566 175.522 176.870 0.362 0.000 0.986 18 L CA -0.481 54.504 54.840 0.242 0.000 0.820 18 L CB 2.084 44.311 42.059 0.281 0.000 1.303 18 L HN 0.480 nan 8.230 nan 0.000 0.411 19 L N 3.842 125.319 121.223 0.424 0.000 2.349 19 L HA 0.586 4.934 4.340 0.013 0.000 0.278 19 L C -1.127 175.809 176.870 0.110 0.000 0.996 19 L CA 0.059 55.036 54.840 0.228 0.000 0.825 19 L CB 1.768 43.904 42.059 0.129 0.000 1.243 19 L HN 0.718 nan 8.230 nan 0.000 0.412 20 Q N 4.642 124.457 119.800 0.026 0.000 2.325 20 Q HA 0.385 4.732 4.340 0.013 0.000 0.262 20 Q C -0.615 175.266 176.000 -0.199 0.000 0.968 20 Q CA -0.075 55.775 55.803 0.078 0.000 0.877 20 Q CB 1.245 30.148 28.738 0.275 0.000 1.253 20 Q HN 0.724 nan 8.270 nan 0.000 0.448 21 N N 2.782 121.344 118.700 -0.229 0.000 2.651 21 N HA 0.166 4.913 4.740 0.013 0.000 0.277 21 N C -2.711 172.499 175.510 -0.501 0.000 1.787 21 N CA -1.293 51.514 53.050 -0.404 0.000 0.818 21 N CB 1.027 39.234 38.487 -0.467 0.000 1.316 21 N HN 0.344 nan 8.380 nan 0.000 0.503 22 P HA 0.061 nan 4.420 nan 0.000 0.271 22 P C -1.115 176.041 177.300 -0.240 0.000 1.216 22 P CA 0.504 63.375 63.100 -0.382 0.000 0.776 22 P CB 0.853 32.183 31.700 -0.617 0.000 0.881 23 H N 1.894 120.860 119.070 -0.172 0.000 2.511 23 H HA 0.542 5.105 4.556 0.012 0.000 0.328 23 H C -0.263 174.919 175.328 -0.243 0.000 1.044 23 H CA -0.868 54.989 56.048 -0.317 0.000 1.212 23 H CB 1.269 30.809 29.762 -0.371 0.000 1.428 23 H HN 0.252 nan 8.280 nan 0.000 0.483 24 L N 1.088 122.246 121.223 -0.108 0.000 2.491 24 L HA 0.266 4.613 4.340 0.013 0.000 0.254 24 L C -0.130 176.857 176.870 0.196 0.000 1.048 24 L CA -0.586 54.251 54.840 -0.005 0.000 0.855 24 L CB 2.301 44.306 42.059 -0.089 0.000 1.466 24 L HN 0.559 nan 8.230 nan 0.000 0.409 25 S N 0.201 116.074 115.700 0.288 0.000 2.558 25 S HA 0.002 4.479 4.470 0.013 0.000 0.288 25 S C 0.102 174.995 174.600 0.489 0.000 1.318 25 S CA 0.335 58.764 58.200 0.382 0.000 1.056 25 S CB 0.177 63.587 63.200 0.350 0.000 0.853 25 S HN 0.450 nan 8.310 nan 0.000 0.505 26 W N 2.336 123.736 121.300 0.167 0.000 3.139 26 W HA 0.167 4.835 4.660 0.013 0.000 0.260 26 W C 2.290 178.828 176.519 0.031 0.000 1.312 26 W CA 0.559 58.022 57.345 0.195 0.000 1.606 26 W CB -0.945 28.652 29.460 0.228 0.000 1.118 26 W HN 0.962 nan 8.180 nan 0.000 0.675 27 T N -6.137 108.550 114.554 0.221 0.000 3.019 27 T HA 0.088 4.446 4.350 0.013 0.000 0.247 27 T C 0.919 175.594 174.700 -0.043 0.000 0.992 27 T CA 0.172 62.316 62.100 0.074 0.000 1.036 27 T CB -0.441 68.480 68.868 0.088 0.000 1.063 27 T HN -0.284 nan 8.240 nan 0.000 0.476 28 T N 4.561 119.086 114.554 -0.049 0.000 2.778 28 T HA 0.074 4.431 4.350 0.013 0.000 0.282 28 T C 1.071 175.556 174.700 -0.359 0.000 0.983 28 T CA 0.566 62.504 62.100 -0.271 0.000 1.193 28 T CB 0.537 69.180 68.868 -0.376 0.000 0.938 28 T HN 0.573 nan 8.240 nan 0.000 0.523 29 D N 3.758 123.945 120.400 -0.355 0.000 2.126 29 D HA -0.281 4.367 4.640 0.013 0.000 0.190 29 D C 1.633 177.796 176.300 -0.227 0.000 1.001 29 D CA 1.842 55.690 54.000 -0.253 0.000 0.841 29 D CB -0.759 39.943 40.800 -0.162 0.000 0.949 29 D HN 0.849 nan 8.370 nan 0.000 0.446 30 Y N -2.122 118.069 120.300 -0.180 0.000 2.632 30 Y HA 0.218 4.775 4.550 0.012 0.000 0.301 30 Y C 1.088 176.928 175.900 -0.101 0.000 1.172 30 Y CA -0.262 57.730 58.100 -0.181 0.000 1.328 30 Y CB -0.697 37.617 38.460 -0.242 0.000 1.016 30 Y HN -0.144 nan 8.280 nan 0.000 0.529 31 F N 0.480 120.303 119.950 -0.211 0.000 2.695 31 F HA 0.249 4.784 4.527 0.013 0.000 0.303 31 F C 0.499 176.096 175.800 -0.338 0.000 1.091 31 F CA -1.105 56.772 58.000 -0.206 0.000 1.300 31 F CB -0.539 38.368 39.000 -0.156 0.000 1.071 31 F HN -0.178 nan 8.300 nan 0.000 0.578 32 T N 1.392 115.885 114.554 -0.101 0.000 2.799 32 T HA 0.079 4.436 4.350 0.013 0.000 0.296 32 T C -0.488 174.178 174.700 -0.056 0.000 0.947 32 T CA 0.330 62.344 62.100 -0.145 0.000 1.141 32 T CB 0.009 68.767 68.868 -0.184 0.000 0.891 32 T HN -0.116 nan 8.240 nan 0.000 0.533 33 Y N 2.268 122.729 120.300 0.268 0.000 2.299 33 Y HA 0.443 5.001 4.550 0.013 0.000 0.326 33 Y C -0.074 175.963 175.900 0.228 0.000 1.164 33 Y CA -0.990 57.228 58.100 0.195 0.000 1.234 33 Y CB 0.730 39.254 38.460 0.107 0.000 1.219 33 Y HN 0.597 nan 8.280 nan 0.000 0.497 34 Y N 2.229 122.606 120.300 0.128 0.000 2.391 34 Y HA 0.359 4.917 4.550 0.013 0.000 0.341 34 Y C -0.676 175.118 175.900 -0.177 0.000 0.965 34 Y CA -1.545 56.554 58.100 -0.002 0.000 1.067 34 Y CB 1.374 39.825 38.460 -0.015 0.000 1.199 34 Y HN 0.676 nan 8.280 nan 0.000 0.450 35 E N 4.259 124.052 120.200 -0.677 0.000 2.227 35 E HA 0.732 5.089 4.350 0.013 0.000 0.282 35 E C -1.442 174.578 176.600 -0.966 0.000 1.015 35 E CA -0.445 55.466 56.400 -0.815 0.000 0.823 35 E CB 0.837 30.191 29.700 -0.578 0.000 1.081 35 E HN 0.819 nan 8.360 nan 0.000 0.396 36 A N 4.293 126.624 122.820 -0.815 0.000 2.602 36 A HA 0.429 4.757 4.320 0.013 0.000 0.290 36 A C -1.845 175.342 177.584 -0.663 0.000 1.114 36 A CA -0.613 51.044 52.037 -0.632 0.000 0.683 36 A CB 1.543 20.307 19.000 -0.392 0.000 1.281 36 A HN 0.813 nan 8.150 nan 0.000 0.416 37 H N 0.327 119.098 119.070 -0.500 0.000 2.840 37 H HA 0.617 5.181 4.556 0.013 0.000 0.340 37 H C -2.095 173.167 175.328 -0.110 0.000 1.004 37 H CA -0.682 55.156 56.048 -0.351 0.000 1.288 37 H CB 1.012 30.661 29.762 -0.188 0.000 1.607 37 H HN 0.442 nan 8.280 nan 0.000 0.522 38 L N 5.929 127.174 121.223 0.037 0.000 2.325 38 L HA 0.375 4.723 4.340 0.013 0.000 0.281 38 L C -0.876 175.935 176.870 -0.098 0.000 1.004 38 L CA -0.612 54.227 54.840 -0.003 0.000 0.823 38 L CB 1.789 43.980 42.059 0.221 0.000 1.236 38 L HN 0.386 nan 8.230 nan 0.000 0.415 39 V N 2.372 122.129 119.914 -0.262 0.000 2.531 39 V HA 0.726 4.854 4.120 0.013 0.000 0.301 39 V C -0.063 175.822 176.094 -0.349 0.000 1.034 39 V CA -0.354 61.768 62.300 -0.297 0.000 0.865 39 V CB 2.033 33.681 31.823 -0.292 0.000 0.995 39 V HN 0.785 nan 8.190 nan 0.000 0.424 40 T N 5.170 119.418 114.554 -0.510 0.000 2.887 40 T HA 0.459 4.817 4.350 0.013 0.000 0.292 40 T C -2.075 172.455 174.700 -0.284 0.000 1.087 40 T CA -1.134 60.678 62.100 -0.481 0.000 1.009 40 T CB 2.311 70.619 68.868 -0.934 0.000 1.203 40 T HN 0.417 nan 8.240 nan 0.000 0.518 41 P HA 0.059 nan 4.420 nan 0.000 0.222 41 P C 0.476 177.754 177.300 -0.037 0.000 1.147 41 P CA 0.857 63.913 63.100 -0.074 0.000 0.790 41 P CB 0.272 31.951 31.700 -0.036 0.000 0.780 42 D N -1.960 118.419 120.400 -0.036 0.000 2.407 42 D HA 0.150 4.798 4.640 0.013 0.000 0.208 42 D C 0.401 176.819 176.300 0.196 0.000 1.083 42 D CA 0.370 54.424 54.000 0.090 0.000 0.844 42 D CB 0.524 41.430 40.800 0.177 0.000 0.967 42 D HN 0.249 nan 8.370 nan 0.000 0.506 43 F N -0.248 119.740 119.950 0.063 0.000 2.773 43 F HA 0.566 5.101 4.527 0.013 0.000 0.314 43 F C -1.755 174.083 175.800 0.064 0.000 1.160 43 F CA -1.247 56.784 58.000 0.051 0.000 0.920 43 F CB 1.592 40.607 39.000 0.026 0.000 1.323 43 F HN -0.303 nan 8.300 nan 0.000 0.457 44 E N 2.239 122.680 120.200 0.402 0.000 2.321 44 E HA 0.696 5.054 4.350 0.013 0.000 0.281 44 E C -1.914 174.892 176.600 0.343 0.000 0.910 44 E CA -0.899 55.680 56.400 0.298 0.000 0.770 44 E CB 2.695 32.514 29.700 0.199 0.000 1.225 44 E HN 0.904 nan 8.360 nan 0.000 0.417 45 I N 1.096 121.870 120.570 0.340 0.000 2.607 45 I HA 0.571 4.749 4.170 0.013 0.000 0.290 45 I C -1.856 174.348 176.117 0.144 0.000 1.129 45 I CA -1.027 60.397 61.300 0.206 0.000 1.042 45 I CB 1.671 39.779 38.000 0.181 0.000 1.242 45 I HN 0.539 nan 8.210 nan 0.000 0.421 46 Y N 4.184 124.342 120.300 -0.236 0.000 2.499 46 Y HA 0.908 5.465 4.550 0.013 0.000 0.347 46 Y C 0.129 175.770 175.900 -0.431 0.000 0.987 46 Y CA 0.383 58.217 58.100 -0.444 0.000 1.044 46 Y CB 2.248 40.143 38.460 -0.942 0.000 1.245 46 Y HN 1.120 nan 8.280 nan 0.000 0.461 47 G N 1.510 110.052 108.800 -0.430 0.000 2.362 47 G HA2 0.494 4.461 3.960 0.013 0.000 0.288 47 G HA3 0.494 4.461 3.960 0.013 0.000 0.288 47 G C -2.079 172.455 174.900 -0.610 0.000 1.305 47 G CA -0.387 44.569 45.100 -0.239 0.000 0.910 47 G HN 1.026 nan 8.290 nan 0.000 0.518 48 A N -1.105 121.271 122.820 -0.740 0.000 2.311 48 A HA 0.992 5.320 4.320 0.013 0.000 0.334 48 A C 0.118 177.639 177.584 -0.104 0.000 1.139 48 A CA 0.247 51.857 52.037 -0.711 0.000 0.830 48 A CB 2.042 20.212 19.000 -1.385 0.000 1.234 48 A HN 1.864 nan 8.150 nan 0.000 0.483 49 T N -0.161 114.461 114.554 0.114 0.000 2.830 49 T HA 0.412 4.770 4.350 0.013 0.000 0.322 49 T C -1.282 173.623 174.700 0.342 0.000 1.501 49 T CA -0.465 61.809 62.100 0.290 0.000 1.036 49 T CB 1.171 70.099 68.868 0.100 0.000 1.379 49 T HN 0.717 nan 8.240 nan 0.000 0.493 50 Q N 2.059 122.006 119.800 0.244 0.000 2.364 50 Q HA 0.414 4.761 4.340 0.013 0.000 0.267 50 Q C 0.500 176.539 176.000 0.065 0.000 0.999 50 Q CA -0.118 55.727 55.803 0.069 0.000 0.886 50 Q CB 0.193 28.965 28.738 0.058 0.000 1.243 50 Q HN 0.642 nan 8.270 nan 0.000 0.415 51 I N -1.139 119.445 120.570 0.023 0.000 2.815 51 I HA 0.228 4.406 4.170 0.013 0.000 0.291 51 I C 1.111 177.209 176.117 -0.033 0.000 1.209 51 I CA 0.747 62.025 61.300 -0.036 0.000 1.431 51 I CB 0.007 37.951 38.000 -0.094 0.000 1.351 51 I HN 0.791 nan 8.210 nan 0.000 0.585 52 G N 4.303 113.068 108.800 -0.058 0.000 2.258 52 G HA2 -0.213 3.754 3.960 0.013 0.000 0.233 52 G HA3 -0.213 3.754 3.960 0.013 0.000 0.233 52 G C -0.082 174.800 174.900 -0.029 0.000 1.006 52 G CA -0.134 44.938 45.100 -0.048 0.000 0.620 52 G HN 0.571 nan 8.290 nan 0.000 0.511 53 L N 2.815 124.033 121.223 -0.008 0.000 2.319 53 L HA 0.451 4.799 4.340 0.013 0.000 0.280 53 L C -0.174 176.690 176.870 -0.011 0.000 1.099 53 L CA -1.481 53.357 54.840 -0.004 0.000 0.828 53 L CB 0.956 43.019 42.059 0.007 0.000 1.150 53 L HN 0.070 nan 8.230 nan 0.000 0.442 54 P HA 0.022 nan 4.420 nan 0.000 0.249 54 P C -0.263 177.026 177.300 -0.018 0.000 1.229 54 P CA 0.419 63.497 63.100 -0.035 0.000 0.788 54 P CB 0.340 32.002 31.700 -0.064 0.000 1.072 55 V N -3.029 116.886 119.914 0.001 0.000 2.823 55 V HA 0.515 4.642 4.120 0.013 0.000 0.312 55 V C -0.244 175.849 176.094 -0.002 0.000 1.072 55 V CA -1.514 60.810 62.300 0.041 0.000 0.937 55 V CB 2.349 34.232 31.823 0.100 0.000 1.013 55 V HN -0.242 nan 8.190 nan 0.000 0.430 56 I N 3.804 124.386 120.570 0.021 0.000 2.363 56 I HA 0.395 4.573 4.170 0.013 0.000 0.292 56 I C 1.503 177.574 176.117 -0.076 0.000 1.075 56 I CA -0.183 61.107 61.300 -0.016 0.000 1.333 56 I CB 0.988 38.983 38.000 -0.008 0.000 1.415 56 I HN 0.738 nan 8.210 nan 0.000 0.502 57 R N 4.194 124.585 120.500 -0.181 0.000 2.093 57 R HA 0.032 4.379 4.340 0.013 0.000 0.224 57 R C -0.067 176.021 176.300 -0.354 0.000 1.101 57 R CA 1.146 56.966 56.100 -0.466 0.000 0.979 57 R CB 0.072 29.972 30.300 -0.666 0.000 0.877 57 R HN 0.384 nan 8.270 nan 0.000 0.441 58 F N 0.903 120.832 119.950 -0.035 0.000 2.318 58 F HA 0.409 4.943 4.527 0.012 0.000 0.356 58 F C 0.182 176.073 175.800 0.152 0.000 1.109 58 F CA -0.752 57.299 58.000 0.086 0.000 1.234 58 F CB 0.955 39.997 39.000 0.070 0.000 1.545 58 F HN -0.054 nan 8.300 nan 0.000 0.534 59 A N 3.041 126.027 122.820 0.278 0.000 2.330 59 A HA 0.965 5.292 4.320 0.013 0.000 0.329 59 A C -1.128 176.700 177.584 0.406 0.000 1.135 59 A CA -0.560 51.632 52.037 0.257 0.000 0.817 59 A CB 1.490 20.577 19.000 0.144 0.000 1.269 59 A HN 0.581 nan 8.150 nan 0.000 0.469 60 F N -0.125 119.976 119.950 0.251 0.000 2.719 60 F HA 0.720 5.255 4.527 0.013 0.000 0.309 60 F C -0.945 175.000 175.800 0.242 0.000 1.138 60 F CA -1.006 57.153 58.000 0.264 0.000 0.943 60 F CB 0.852 40.020 39.000 0.280 0.000 1.304 60 F HN 0.772 nan 8.300 nan 0.000 0.445 61 N N -0.390 118.574 118.700 0.440 0.000 3.439 61 N HA 0.251 4.999 4.740 0.013 0.000 0.313 61 N C -0.117 175.621 175.510 0.379 0.000 1.598 61 N CA -0.718 52.496 53.050 0.274 0.000 0.830 61 N CB 0.232 38.836 38.487 0.195 0.000 1.849 61 N HN 0.514 nan 8.380 nan 0.000 0.598 62 Q N -0.585 119.363 119.800 0.248 0.000 2.368 62 Q HA -0.036 4.311 4.340 0.013 0.000 0.210 62 Q C 0.206 176.367 176.000 0.268 0.000 0.982 62 Q CA 1.165 57.102 55.803 0.224 0.000 0.884 62 Q CB -0.062 28.763 28.738 0.144 0.000 0.933 62 Q HN 0.515 nan 8.270 nan 0.000 0.460 66 I N -2.233 118.433 120.570 0.159 0.000 3.174 66 I HA 0.967 5.145 4.170 0.013 0.000 0.313 66 I C -0.743 175.496 176.117 0.203 0.000 1.155 66 I CA -1.028 60.367 61.300 0.158 0.000 0.977 66 I CB 2.418 40.540 38.000 0.203 0.000 1.248 66 I HN 0.719 nan 8.210 nan 0.000 0.453 67 T N 1.204 115.857 114.554 0.165 0.000 2.853 67 T HA 0.573 4.931 4.350 0.013 0.000 0.311 67 T C -1.505 173.205 174.700 0.017 0.000 1.307 67 T CA -0.621 61.570 62.100 0.153 0.000 1.019 67 T CB 1.706 70.758 68.868 0.306 0.000 1.264 67 T HN 0.900 nan 8.240 nan 0.000 0.497 68 N N 0.400 119.034 118.700 -0.110 0.000 2.321 68 N HA 0.801 5.548 4.740 0.013 0.000 0.290 68 N C -1.299 174.281 175.510 0.116 0.000 1.212 68 N CA -0.765 52.228 53.050 -0.094 0.000 0.767 68 N CB 2.244 40.437 38.487 -0.491 0.000 1.494 68 N HN 0.774 nan 8.380 nan 0.000 0.479 69 T N -3.250 111.385 114.554 0.134 0.000 2.894 69 T HA 0.478 4.836 4.350 0.013 0.000 0.309 69 T C -0.861 173.995 174.700 0.261 0.000 1.208 69 T CA -0.762 61.437 62.100 0.164 0.000 1.016 69 T CB 0.696 69.641 68.868 0.127 0.000 1.192 69 T HN 0.158 nan 8.240 nan 0.000 0.491 70 V N 3.702 123.772 119.914 0.260 0.000 2.572 70 V HA 0.237 4.364 4.120 0.013 0.000 0.291 70 V C 1.099 177.271 176.094 0.131 0.000 1.039 70 V CA 0.036 62.499 62.300 0.271 0.000 1.055 70 V CB 0.514 32.464 31.823 0.212 0.000 0.969 70 V HN 1.057 nan 8.190 nan 0.000 0.482 71 N N 3.343 122.056 118.700 0.020 0.000 2.181 71 N HA 0.221 4.968 4.740 0.013 0.000 0.207 71 N C 0.639 176.115 175.510 -0.056 0.000 1.182 71 N CA 0.490 53.502 53.050 -0.064 0.000 0.893 71 N CB 0.586 38.813 38.487 -0.435 0.000 1.032 71 N HN 0.927 nan 8.380 nan 0.000 0.513 75 G N 1.401 110.153 108.800 -0.081 0.000 3.284 75 G HA2 0.608 4.576 3.960 0.013 0.000 0.236 75 G HA3 0.608 4.576 3.960 0.013 0.000 0.236 75 G C 0.354 175.241 174.900 -0.021 0.000 1.158 75 G CA 0.713 45.742 45.100 -0.117 0.000 0.774 75 G HN 1.080 nan 8.290 nan 0.000 0.545 76 A N -0.532 122.319 122.820 0.051 0.000 2.475 76 A HA 0.814 5.142 4.320 0.013 0.000 0.301 76 A C -0.690 177.029 177.584 0.225 0.000 1.059 76 A CA -0.440 51.712 52.037 0.192 0.000 0.710 76 A CB 1.673 20.744 19.000 0.117 0.000 1.288 76 A HN 0.030 nan 8.150 nan 0.000 0.408 77 T N 2.306 117.066 114.554 0.344 0.000 2.848 77 T HA 0.434 4.792 4.350 0.013 0.000 0.285 77 T C -0.797 173.902 174.700 -0.001 0.000 0.995 77 T CA -0.635 61.576 62.100 0.184 0.000 0.970 77 T CB 0.974 70.042 68.868 0.334 0.000 0.976 77 T HN 0.564 nan 8.240 nan 0.000 0.441 78 N N 2.532 121.149 118.700 -0.137 0.000 2.437 78 N HA 0.329 5.077 4.740 0.013 0.000 0.259 78 N C -1.320 174.050 175.510 -0.234 0.000 0.983 78 N CA -0.297 52.695 53.050 -0.097 0.000 0.937 78 N CB 1.140 39.583 38.487 -0.074 0.000 1.122 78 N HN 0.521 nan 8.380 nan 0.000 0.499 79 Y N 0.499 120.730 120.300 -0.114 0.000 2.342 79 Y HA 0.309 4.867 4.550 0.013 0.000 0.334 79 Y C 1.045 176.830 175.900 -0.191 0.000 1.067 79 Y CA -0.826 57.146 58.100 -0.213 0.000 1.128 79 Y CB 1.368 39.556 38.460 -0.454 0.000 1.200 79 Y HN 0.198 nan 8.280 nan 0.000 0.464 80 R N 4.405 124.902 120.500 -0.005 0.000 2.248 80 R HA 0.359 4.707 4.340 0.013 0.000 0.328 80 R C -1.265 175.049 176.300 0.024 0.000 1.067 80 R CA -0.194 55.903 56.100 -0.004 0.000 0.924 80 R CB 0.043 30.330 30.300 -0.023 0.000 1.013 80 R HN 0.776 nan 8.270 nan 0.000 0.454 81 L N 3.285 124.530 121.223 0.037 0.000 2.375 81 L HA 0.299 4.647 4.340 0.013 0.000 0.271 81 L C 0.253 177.202 176.870 0.130 0.000 1.107 81 L CA -0.459 54.434 54.840 0.087 0.000 0.806 81 L CB 1.863 43.991 42.059 0.115 0.000 1.146 81 L HN 0.599 nan 8.230 nan 0.000 0.447 82 T N 3.978 118.633 114.554 0.170 0.000 2.801 82 T HA 0.425 4.783 4.350 0.013 0.000 0.306 82 T C 0.048 174.849 174.700 0.169 0.000 1.020 82 T CA -0.452 61.733 62.100 0.142 0.000 0.948 82 T CB 0.210 69.152 68.868 0.123 0.000 0.962 82 T HN 0.261 nan 8.240 nan 0.000 0.465 83 L N 3.851 125.174 121.223 0.167 0.000 2.380 83 L HA 0.483 4.830 4.340 0.013 0.000 0.273 83 L C 0.377 177.317 176.870 0.116 0.000 1.138 83 L CA -0.089 54.865 54.840 0.189 0.000 0.832 83 L CB 0.600 42.782 42.059 0.206 0.000 1.124 83 L HN 0.570 nan 8.230 nan 0.000 0.454 84 Q N 2.425 122.277 119.800 0.088 0.000 2.403 84 Q HA 0.110 4.458 4.340 0.013 0.000 0.267 84 Q C -1.374 174.637 176.000 0.019 0.000 0.991 84 Q CA -0.698 55.131 55.803 0.044 0.000 0.906 84 Q CB 1.808 30.560 28.738 0.023 0.000 1.422 84 Q HN 0.679 nan 8.270 nan 0.000 0.400 85 D N 2.723 123.136 120.400 0.022 0.000 2.692 85 D HA -0.227 4.420 4.640 0.013 0.000 0.233 85 D C 0.714 177.026 176.300 0.020 0.000 1.172 85 D CA 1.955 55.963 54.000 0.012 0.000 0.636 85 D CB -1.308 39.485 40.800 -0.011 0.000 1.028 85 D HN 1.111 nan 8.370 nan 0.000 0.419 86 G N -1.694 107.144 108.800 0.064 0.000 2.189 86 G HA2 -0.173 3.794 3.960 0.013 0.000 0.267 86 G HA3 -0.173 3.794 3.960 0.013 0.000 0.267 86 G C 0.676 175.660 174.900 0.140 0.000 0.975 86 G CA 0.778 45.942 45.100 0.106 0.000 0.644 86 G HN 1.028 nan 8.290 nan 0.000 0.537 87 G N -1.026 107.788 108.800 0.022 0.000 3.183 87 G HA2 0.838 4.806 3.960 0.013 0.000 0.247 87 G HA3 0.838 4.806 3.960 0.013 0.000 0.247 87 G C -0.839 173.885 174.900 -0.292 0.000 1.211 87 G CA -0.164 44.791 45.100 -0.241 0.000 0.835 87 G HN 1.325 nan 8.290 nan 0.000 0.604 88 Y N -1.273 118.706 120.300 -0.535 0.000 2.477 88 Y HA 0.732 5.290 4.550 0.013 0.000 0.347 88 Y C -0.644 175.187 175.900 -0.115 0.000 0.981 88 Y CA -1.608 56.314 58.100 -0.297 0.000 1.033 88 Y CB 1.526 39.754 38.460 -0.387 0.000 1.245 88 Y HN 0.445 nan 8.280 nan 0.000 0.455 89 L N 4.622 125.876 121.223 0.051 0.000 2.418 89 L HA 0.191 4.539 4.340 0.013 0.000 0.274 89 L C -1.437 175.548 176.870 0.193 0.000 1.135 89 L CA -0.101 54.765 54.840 0.043 0.000 0.870 89 L CB 0.229 42.330 42.059 0.071 0.000 1.154 89 L HN 0.883 nan 8.230 nan 0.000 0.462 90 Y N 4.443 124.695 120.300 -0.080 0.000 2.322 90 Y HA 0.196 4.754 4.550 0.013 0.000 0.324 90 Y C -0.141 175.743 175.900 -0.027 0.000 1.027 90 Y CA -1.136 56.964 58.100 0.000 0.000 1.179 90 Y CB 0.795 39.230 38.460 -0.042 0.000 1.136 90 Y HN 0.678 nan 8.280 nan 0.000 0.449 91 D N 4.456 124.698 120.400 -0.262 0.000 2.699 91 D HA -0.173 4.475 4.640 0.013 0.000 0.239 91 D C 1.248 177.491 176.300 -0.095 0.000 1.136 91 D CA 2.105 55.967 54.000 -0.230 0.000 0.668 91 D CB -1.090 39.520 40.800 -0.316 0.000 1.060 91 D HN 1.236 nan 8.370 nan 0.000 0.429 92 G N -0.973 107.798 108.800 -0.049 0.000 2.284 92 G HA2 -0.376 3.591 3.960 0.013 0.000 0.261 92 G HA3 -0.376 3.591 3.960 0.013 0.000 0.261 92 G C 0.355 175.237 174.900 -0.030 0.000 0.997 92 G CA 0.893 45.976 45.100 -0.028 0.000 0.621 92 G HN 0.549 nan 8.290 nan 0.000 0.534 93 Q N -0.673 119.105 119.800 -0.037 0.000 2.241 93 Q HA 0.660 5.008 4.340 0.013 0.000 0.262 93 Q C -0.332 175.612 176.000 -0.094 0.000 1.014 93 Q CA -0.942 54.829 55.803 -0.054 0.000 0.885 93 Q CB 2.711 31.419 28.738 -0.051 0.000 1.311 93 Q HN 0.137 nan 8.270 nan 0.000 0.461 94 V N 2.561 122.400 119.914 -0.126 0.000 2.385 94 V HA 0.258 4.386 4.120 0.013 0.000 0.269 94 V C -0.064 175.842 176.094 -0.312 0.000 1.043 94 V CA -0.468 61.707 62.300 -0.209 0.000 0.906 94 V CB 0.487 32.223 31.823 -0.145 0.000 0.995 94 V HN 0.538 nan 8.190 nan 0.000 0.467 95 R N 6.390 126.531 120.500 -0.598 0.000 2.428 95 R HA 0.460 4.808 4.340 0.013 0.000 0.294 95 R C -2.571 173.275 176.300 -0.757 0.000 1.000 95 R CA -2.257 53.398 56.100 -0.741 0.000 0.960 95 R CB 1.826 31.442 30.300 -1.141 0.000 1.076 95 R HN 0.410 nan 8.270 nan 0.000 0.475 96 P HA 0.184 nan 4.420 nan 0.000 0.284 96 P C -0.688 176.597 177.300 -0.024 0.000 1.253 96 P CA -0.333 62.658 63.100 -0.182 0.000 0.800 96 P CB 0.521 32.175 31.700 -0.077 0.000 0.961 97 F N 0.862 120.896 119.950 0.139 0.000 2.429 97 F HA 0.217 4.751 4.527 0.012 0.000 0.348 97 F C 1.535 177.366 175.800 0.051 0.000 1.109 97 F CA 0.006 58.092 58.000 0.144 0.000 1.232 97 F CB 0.454 39.508 39.000 0.089 0.000 1.157 97 F HN 0.352 nan 8.300 nan 0.000 0.564 98 E N 3.644 123.987 120.200 0.238 0.000 2.301 98 E HA 0.464 4.822 4.350 0.013 0.000 0.275 98 E C -0.746 175.901 176.600 0.077 0.000 1.030 98 E CA -0.731 55.734 56.400 0.108 0.000 0.852 98 E CB 0.831 30.566 29.700 0.058 0.000 1.060 98 E HN 0.708 nan 8.360 nan 0.000 0.401 99 R N 2.774 123.298 120.500 0.040 0.000 2.626 99 R HA 0.556 4.903 4.340 0.013 0.000 0.274 99 R C -1.033 175.263 176.300 -0.008 0.000 1.031 99 R CA -0.976 55.126 56.100 0.003 0.000 0.898 99 R CB 1.551 31.853 30.300 0.002 0.000 1.222 99 R HN 0.363 nan 8.270 nan 0.000 0.455 100 R N 1.409 121.894 120.500 -0.025 0.000 2.711 100 R HA 0.332 4.679 4.340 0.013 0.000 0.284 100 R C -0.861 175.424 176.300 -0.024 0.000 0.968 100 R CA -1.177 54.911 56.100 -0.020 0.000 0.924 100 R CB 2.059 32.346 30.300 -0.021 0.000 1.162 100 R HN 0.498 nan 8.270 nan 0.000 0.465 101 Q N 1.348 121.139 119.800 -0.015 0.000 2.368 101 Q HA 0.518 4.866 4.340 0.013 0.000 0.263 101 Q C -0.864 175.132 176.000 -0.006 0.000 1.009 101 Q CA -0.398 55.396 55.803 -0.014 0.000 0.818 101 Q CB 2.103 30.833 28.738 -0.014 0.000 1.239 101 Q HN 0.729 nan 8.270 nan 0.000 0.464 102 A N 1.587 124.410 122.820 0.004 0.000 2.392 102 A HA 0.943 5.271 4.320 0.013 0.000 0.283 102 A C -0.500 177.104 177.584 0.032 0.000 1.197 102 A CA -0.514 51.536 52.037 0.021 0.000 0.895 102 A CB 1.531 20.551 19.000 0.034 0.000 1.400 102 A HN 0.549 nan 8.150 nan 0.000 0.461 103 S N -1.599 114.132 115.700 0.052 0.000 2.579 103 S HA 0.748 5.226 4.470 0.013 0.000 0.272 103 S C -1.704 172.967 174.600 0.119 0.000 1.141 103 S CA -0.336 57.877 58.200 0.023 0.000 0.843 103 S CB 1.556 64.736 63.200 -0.033 0.000 1.122 103 S HN 1.194 nan 8.310 nan 0.000 0.468 104 Y N -0.893 119.398 120.300 -0.015 0.000 2.609 104 Y HA 0.757 5.314 4.550 0.013 0.000 0.336 104 Y C -1.074 174.819 175.900 -0.012 0.000 1.129 104 Y CA -1.335 56.758 58.100 -0.013 0.000 1.040 104 Y CB 0.841 39.294 38.460 -0.012 0.000 1.310 104 Y HN 0.506 nan 8.280 nan 0.000 0.460 105 R N 1.754 122.334 120.500 0.133 0.000 2.486 105 R HA 0.662 5.010 4.340 0.013 0.000 0.286 105 R C -1.669 174.715 176.300 0.140 0.000 0.999 105 R CA -1.123 55.001 56.100 0.040 0.000 0.993 105 R CB 1.826 32.146 30.300 0.034 0.000 1.084 105 R HN 0.712 nan 8.270 nan 0.000 0.487 106 L N 2.473 123.729 121.223 0.056 0.000 2.342 106 L HA 0.387 4.734 4.340 0.013 0.000 0.276 106 L C -0.490 176.407 176.870 0.044 0.000 0.997 106 L CA -0.673 54.225 54.840 0.096 0.000 0.838 106 L CB 1.282 43.395 42.059 0.089 0.000 1.224 106 L HN 0.418 nan 8.230 nan 0.000 0.416 107 R N 2.958 123.484 120.500 0.044 0.000 2.538 107 R HA 0.186 4.533 4.340 0.013 0.000 0.282 107 R C -0.189 176.121 176.300 0.017 0.000 1.009 107 R CA 0.291 56.405 56.100 0.023 0.000 1.063 107 R CB 0.350 30.661 30.300 0.019 0.000 0.945 107 R HN 0.588 nan 8.270 nan 0.000 0.414 108 Q N 2.402 122.207 119.800 0.008 0.000 2.199 108 Q HA 0.253 4.601 4.340 0.013 0.000 0.232 108 Q C 0.882 176.883 176.000 0.003 0.000 0.969 108 Q CA 0.286 56.091 55.803 0.004 0.000 0.925 108 Q CB 1.186 29.923 28.738 -0.001 0.000 1.198 108 Q HN 0.787 nan 8.270 nan 0.000 0.494 109 A N 1.330 124.151 122.820 0.001 0.000 1.940 109 A HA -0.217 4.111 4.320 0.013 0.000 0.219 109 A C 1.109 178.692 177.584 -0.002 0.000 1.176 109 A CA 2.183 54.220 52.037 -0.000 0.000 0.631 109 A CB -0.566 18.433 19.000 -0.001 0.000 0.814 109 A HN 0.797 nan 8.150 nan 0.000 0.446 110 D N -2.166 118.233 120.400 -0.002 0.000 2.352 110 D HA 0.290 4.937 4.640 0.013 0.000 0.232 110 D C 1.139 177.437 176.300 -0.003 0.000 1.055 110 D CA 1.002 55.000 54.000 -0.003 0.000 0.891 110 D CB -0.602 40.196 40.800 -0.004 0.000 0.897 110 D HN 0.791 nan 8.370 nan 0.000 0.529 111 G N -0.404 108.395 108.800 -0.002 0.000 2.217 111 G HA2 -0.296 3.672 3.960 0.013 0.000 0.246 111 G HA3 -0.296 3.672 3.960 0.013 0.000 0.246 111 G C 0.613 175.512 174.900 -0.002 0.000 0.990 111 G CA 0.590 45.689 45.100 -0.002 0.000 0.627 111 G HN 0.809 nan 8.290 nan 0.000 0.522 112 T N -0.879 113.673 114.554 -0.003 0.000 2.810 112 T HA 0.695 5.053 4.350 0.013 0.000 0.277 112 T C 0.410 175.109 174.700 -0.003 0.000 0.973 112 T CA 0.762 62.859 62.100 -0.004 0.000 0.949 112 T CB 1.822 70.686 68.868 -0.006 0.000 1.075 112 T HN 1.424 nan 8.240 nan 0.000 0.537 113 T N -1.990 112.561 114.554 -0.005 0.000 2.906 113 T HA 0.697 5.054 4.350 0.013 0.000 0.295 113 T C -0.357 174.332 174.700 -0.018 0.000 1.075 113 T CA -0.620 61.476 62.100 -0.006 0.000 1.005 113 T CB 1.319 70.187 68.868 -0.000 0.000 1.136 113 T HN 1.353 nan 8.240 nan 0.000 0.498 114 V N -1.281 118.615 119.914 -0.030 0.000 2.823 114 V HA 0.687 4.815 4.120 0.013 0.000 0.312 114 V C -1.207 174.834 176.094 -0.088 0.000 1.072 114 V CA -1.071 61.199 62.300 -0.051 0.000 0.937 114 V CB 1.972 33.765 31.823 -0.050 0.000 1.013 114 V HN 0.932 nan 8.190 nan 0.000 0.430 115 D N 2.640 122.979 120.400 -0.102 0.000 2.264 115 D HA 0.451 5.099 4.640 0.013 0.000 0.250 115 D C -0.431 175.732 176.300 -0.227 0.000 1.113 115 D CA 0.004 53.911 54.000 -0.154 0.000 0.871 115 D CB 1.804 42.540 40.800 -0.108 0.000 1.167 115 D HN 0.597 nan 8.370 nan 0.000 0.447 116 K N 2.714 122.865 120.400 -0.416 0.000 2.345 116 K HA 0.385 4.713 4.320 0.013 0.000 0.255 116 K C -2.493 173.832 176.600 -0.459 0.000 0.934 116 K CA -1.666 54.331 56.287 -0.483 0.000 0.801 116 K CB 2.809 34.881 32.500 -0.713 0.000 1.137 116 K HN 0.221 nan 8.250 nan 0.000 0.424 117 P HA 0.206 nan 4.420 nan 0.000 0.277 117 P C -1.201 176.072 177.300 -0.045 0.000 1.240 117 P CA -0.630 62.398 63.100 -0.120 0.000 0.798 117 P CB 1.019 32.674 31.700 -0.076 0.000 0.979 118 L N 1.326 122.567 121.223 0.030 0.000 2.491 118 L HA 0.379 4.727 4.340 0.013 0.000 0.267 118 L C -0.391 176.489 176.870 0.017 0.000 0.971 118 L CA -0.591 54.302 54.840 0.089 0.000 0.857 118 L CB 1.611 43.817 42.059 0.245 0.000 1.226 118 L HN 0.378 nan 8.230 nan 0.000 0.408 119 E N 5.308 125.493 120.200 -0.025 0.000 2.229 119 E HA 0.441 4.799 4.350 0.013 0.000 0.283 119 E C -1.121 175.417 176.600 -0.103 0.000 1.030 119 E CA -0.427 55.938 56.400 -0.058 0.000 0.836 119 E CB 0.890 30.548 29.700 -0.070 0.000 1.068 119 E HN 0.677 nan 8.360 nan 0.000 0.401 120 I N 5.557 126.067 120.570 -0.101 0.000 2.328 120 I HA 0.342 4.520 4.170 0.013 0.000 0.287 120 I C 0.230 176.257 176.117 -0.149 0.000 1.012 120 I CA -0.545 60.668 61.300 -0.145 0.000 1.195 120 I CB 1.051 38.989 38.000 -0.102 0.000 1.350 120 I HN 0.419 nan 8.210 nan 0.000 0.464 121 R N 3.968 124.333 120.500 -0.225 0.000 2.604 121 R HA 0.727 5.075 4.340 0.013 0.000 0.287 121 R C -0.831 175.373 176.300 -0.160 0.000 0.970 121 R CA -0.713 55.264 56.100 -0.205 0.000 0.946 121 R CB 2.317 32.378 30.300 -0.398 0.000 1.127 121 R HN 0.482 nan 8.270 nan 0.000 0.473 122 S N 0.400 116.088 115.700 -0.019 0.000 2.547 122 S HA 0.334 4.812 4.470 0.013 0.000 0.281 122 S C -0.504 174.177 174.600 0.134 0.000 1.118 122 S CA -0.778 57.432 58.200 0.018 0.000 0.947 122 S CB 1.956 65.152 63.200 -0.006 0.000 1.053 122 S HN 0.715 nan 8.310 nan 0.000 0.482 123 S N 0.859 116.576 115.700 0.027 0.000 2.690 123 S HA 0.492 4.969 4.470 0.013 0.000 0.285 123 S C 1.157 175.637 174.600 -0.199 0.000 1.135 123 S CA -0.490 57.578 58.200 -0.219 0.000 1.020 123 S CB 0.581 63.398 63.200 -0.637 0.000 1.159 123 S HN 0.504 nan 8.310 nan 0.000 0.534 124 V N 1.156 120.857 119.914 -0.356 0.000 2.759 124 V HA -0.100 4.028 4.120 0.013 0.000 0.256 124 V C 1.958 177.763 176.094 -0.481 0.000 1.080 124 V CA 2.048 64.096 62.300 -0.420 0.000 1.101 124 V CB -1.513 29.938 31.823 -0.621 0.000 0.698 124 V HN 0.890 nan 8.190 nan 0.000 0.477 125 H N 0.315 119.143 119.070 -0.403 0.000 2.307 125 H HA 0.456 5.020 4.556 0.013 0.000 0.303 125 H C 1.085 176.284 175.328 -0.214 0.000 1.073 125 H CA 1.109 56.913 56.048 -0.405 0.000 1.338 125 H CB -0.162 29.285 29.762 -0.524 0.000 1.389 125 H HN 0.610 nan 8.280 nan 0.000 0.503 126 G N -1.436 107.365 108.800 0.002 0.000 2.333 126 G HA2 0.161 4.129 3.960 0.013 0.000 0.288 126 G HA3 0.161 4.129 3.960 0.013 0.000 0.288 126 G C -2.817 172.100 174.900 0.028 0.000 1.286 126 G CA -1.192 43.919 45.100 0.019 0.000 0.865 126 G HN -0.113 nan 8.290 nan 0.000 0.506 127 P HA 0.326 nan 4.420 nan 0.000 0.265 127 P C -0.199 177.073 177.300 -0.048 0.000 1.187 127 P CA -0.081 62.997 63.100 -0.036 0.000 0.766 127 P CB 0.880 32.597 31.700 0.028 0.000 0.820 128 V N 4.540 124.291 119.914 -0.271 0.000 2.483 128 V HA 0.475 4.603 4.120 0.013 0.000 0.295 128 V C -0.078 175.730 176.094 -0.476 0.000 1.035 128 V CA -0.010 62.146 62.300 -0.240 0.000 0.896 128 V CB 0.550 32.182 31.823 -0.318 0.000 0.986 128 V HN 0.386 nan 8.190 nan 0.000 0.447 129 F N 1.692 121.592 119.950 -0.083 0.000 2.640 129 F HA 0.618 5.152 4.527 0.013 0.000 0.324 129 F C 0.046 175.809 175.800 -0.062 0.000 1.077 129 F CA -0.889 57.069 58.000 -0.069 0.000 0.965 129 F CB 1.884 40.856 39.000 -0.047 0.000 1.351 129 F HN 0.438 nan 8.300 nan 0.000 0.487 130 E N 1.586 121.880 120.200 0.156 0.000 2.218 130 E HA 0.414 4.772 4.350 0.013 0.000 0.263 130 E C -0.886 175.758 176.600 0.072 0.000 0.879 130 E CA -0.686 55.758 56.400 0.074 0.000 0.762 130 E CB 1.220 30.933 29.700 0.022 0.000 1.166 130 E HN 0.545 nan 8.360 nan 0.000 0.415 131 R N 1.957 122.486 120.500 0.048 0.000 2.738 131 R HA 0.281 4.628 4.340 0.013 0.000 0.275 131 R C 1.109 177.421 176.300 0.019 0.000 1.121 131 R CA 0.438 56.553 56.100 0.025 0.000 1.207 131 R CB 0.436 30.741 30.300 0.009 0.000 1.141 131 R HN 0.683 nan 8.270 nan 0.000 0.571 132 A N 1.298 124.124 122.820 0.011 0.000 1.933 132 A HA -0.197 4.131 4.320 0.013 0.000 0.218 132 A C 1.322 178.911 177.584 0.007 0.000 1.175 132 A CA 2.009 54.052 52.037 0.009 0.000 0.628 132 A CB -0.603 18.399 19.000 0.003 0.000 0.814 132 A HN 0.860 nan 8.150 nan 0.000 0.444 133 D N -2.331 118.073 120.400 0.005 0.000 2.352 133 D HA 0.296 4.944 4.640 0.013 0.000 0.232 133 D C 1.138 177.443 176.300 0.010 0.000 1.055 133 D CA 0.988 54.992 54.000 0.005 0.000 0.891 133 D CB -0.479 40.322 40.800 0.001 0.000 0.897 133 D HN 0.739 nan 8.370 nan 0.000 0.529 134 G N -0.762 108.046 108.800 0.013 0.000 2.217 134 G HA2 -0.282 3.686 3.960 0.013 0.000 0.246 134 G HA3 -0.282 3.686 3.960 0.013 0.000 0.246 134 G C 0.491 175.404 174.900 0.023 0.000 0.990 134 G CA 0.227 45.338 45.100 0.018 0.000 0.627 134 G HN 0.466 nan 8.290 nan 0.000 0.522 135 T N 1.714 116.280 114.554 0.020 0.000 2.902 135 T HA 0.493 4.850 4.350 0.013 0.000 0.301 135 T C 0.652 175.373 174.700 0.034 0.000 1.012 135 T CA 0.698 62.812 62.100 0.024 0.000 1.151 135 T CB 1.498 70.373 68.868 0.012 0.000 0.946 135 T HN 1.411 nan 8.240 nan 0.000 0.542 136 A N 3.656 126.503 122.820 0.045 0.000 2.276 136 A HA 0.619 4.947 4.320 0.013 0.000 0.300 136 A C -0.258 177.358 177.584 0.054 0.000 1.235 136 A CA -0.584 51.486 52.037 0.054 0.000 0.867 136 A CB 0.394 19.444 19.000 0.084 0.000 1.137 136 A HN 0.688 nan 8.150 nan 0.000 0.527 137 V N 1.586 121.540 119.914 0.068 0.000 2.735 137 V HA 0.751 4.878 4.120 0.013 0.000 0.310 137 V C 0.269 176.431 176.094 0.113 0.000 1.061 137 V CA -0.381 61.962 62.300 0.071 0.000 0.913 137 V CB 1.793 33.652 31.823 0.060 0.000 1.005 137 V HN 1.189 nan 8.190 nan 0.000 0.428 138 A N 3.775 126.640 122.820 0.075 0.000 2.331 138 A HA 0.870 5.197 4.320 0.013 0.000 0.320 138 A C -0.832 176.868 177.584 0.193 0.000 1.138 138 A CA -0.556 51.540 52.037 0.099 0.000 0.790 138 A CB 1.492 20.460 19.000 -0.053 0.000 1.206 138 A HN 0.743 nan 8.150 nan 0.000 0.470 139 V N 2.378 122.430 119.914 0.229 0.000 2.398 139 V HA 0.543 4.671 4.120 0.013 0.000 0.286 139 V C 0.325 176.552 176.094 0.221 0.000 1.026 139 V CA -0.608 61.820 62.300 0.213 0.000 0.868 139 V CB 1.244 33.158 31.823 0.152 0.000 0.982 139 V HN 0.908 nan 8.190 nan 0.000 0.443 140 R N 3.510 124.176 120.500 0.277 0.000 2.310 140 R HA 0.683 5.030 4.340 0.013 0.000 0.324 140 R C -1.566 174.935 176.300 0.334 0.000 0.955 140 R CA -0.369 55.861 56.100 0.217 0.000 0.830 140 R CB 1.650 32.023 30.300 0.121 0.000 1.154 140 R HN 0.605 nan 8.270 nan 0.000 0.458 141 V N 4.128 124.201 119.914 0.266 0.000 2.398 141 V HA 0.482 4.610 4.120 0.013 0.000 0.286 141 V C 0.441 176.743 176.094 0.345 0.000 1.026 141 V CA -0.811 61.657 62.300 0.279 0.000 0.868 141 V CB 1.348 33.260 31.823 0.149 0.000 0.982 141 V HN 0.950 nan 8.190 nan 0.000 0.443 142 A N 3.457 126.498 122.820 0.370 0.000 2.366 142 A HA 0.611 4.939 4.320 0.013 0.000 0.249 142 A C 1.418 179.079 177.584 0.128 0.000 1.084 142 A CA 0.425 52.626 52.037 0.273 0.000 0.794 142 A CB -0.067 18.922 19.000 -0.018 0.000 1.034 142 A HN 2.222 nan 8.150 nan 0.000 0.491 143 G N -0.322 108.541 108.800 0.105 0.000 2.179 143 G HA2 -0.217 3.750 3.960 0.013 0.000 0.257 143 G HA3 -0.217 3.750 3.960 0.013 0.000 0.257 143 G C 0.479 175.412 174.900 0.055 0.000 1.010 143 G CA 0.527 45.661 45.100 0.057 0.000 0.736 143 G HN 0.795 nan 8.290 nan 0.000 0.513 144 L N 0.362 121.629 121.223 0.073 0.000 2.622 144 L HA 0.109 4.457 4.340 0.013 0.000 0.233 144 L C 1.634 178.528 176.870 0.040 0.000 1.156 144 L CA 1.251 56.124 54.840 0.055 0.000 0.866 144 L CB -0.069 42.027 42.059 0.060 0.000 0.980 144 L HN 0.473 nan 8.230 nan 0.000 0.448 145 D N -1.154 119.271 120.400 0.041 0.000 2.559 145 D HA 0.022 4.670 4.640 0.013 0.000 0.234 145 D C 0.326 176.639 176.300 0.023 0.000 1.226 145 D CA -0.281 53.737 54.000 0.030 0.000 0.830 145 D CB 0.307 41.126 40.800 0.031 0.000 1.028 145 D HN -0.022 nan 8.370 nan 0.000 0.492 146 R N 1.845 122.358 120.500 0.022 0.000 2.505 146 R HA 0.269 4.617 4.340 0.013 0.000 0.284 146 R C -1.841 174.469 176.300 0.017 0.000 1.324 146 R CA -1.319 54.790 56.100 0.015 0.000 1.432 146 R CB 0.902 31.209 30.300 0.011 0.000 1.107 146 R HN 0.125 nan 8.270 nan 0.000 0.587 147 P HA 0.019 nan 4.420 nan 0.000 0.241 147 P C 0.540 177.852 177.300 0.021 0.000 1.191 147 P CA 0.344 63.454 63.100 0.018 0.000 0.771 147 P CB 0.676 32.385 31.700 0.014 0.000 0.929 151 E N 1.075 121.342 120.200 0.112 0.000 2.152 151 E HA -0.225 4.133 4.350 0.013 0.000 0.192 151 E C 1.846 178.540 176.600 0.157 0.000 0.983 151 E CA 1.445 57.930 56.400 0.141 0.000 0.818 151 E CB 0.274 30.024 29.700 0.083 0.000 0.758 151 E HN 0.432 nan 8.360 nan 0.000 0.467 152 Q N -0.628 119.226 119.800 0.089 0.000 2.050 152 Q HA -0.213 4.134 4.340 0.013 0.000 0.202 152 Q C 1.645 177.652 176.000 0.011 0.000 0.980 152 Q CA 1.458 57.263 55.803 0.003 0.000 0.840 152 Q CB -0.145 28.547 28.738 -0.077 0.000 0.898 152 Q HN 0.388 nan 8.270 nan 0.000 0.424 153 Y N -0.480 119.855 120.300 0.059 0.000 2.224 153 Y HA -0.224 4.334 4.550 0.013 0.000 0.289 153 Y C 1.921 177.872 175.900 0.085 0.000 1.146 153 Y CA 1.466 59.606 58.100 0.066 0.000 1.182 153 Y CB -0.332 38.169 38.460 0.069 0.000 0.983 153 Y HN 0.263 nan 8.280 nan 0.000 0.524 154 F N 0.792 120.811 119.950 0.115 0.000 2.102 154 F HA -0.138 4.396 4.527 0.013 0.000 0.298 154 F C 1.226 177.006 175.800 -0.032 0.000 1.105 154 F CA 1.092 59.088 58.000 -0.007 0.000 1.239 154 F CB -0.561 38.400 39.000 -0.065 0.000 0.991 154 F HN -0.096 nan 8.300 nan 0.000 0.474 158 T N 1.312 115.785 114.554 -0.135 0.000 3.111 158 T HA 0.593 4.950 4.350 0.013 0.000 0.284 158 T C 0.795 175.442 174.700 -0.089 0.000 0.983 158 T CA 0.573 62.540 62.100 -0.222 0.000 0.900 158 T CB 0.087 68.525 68.868 -0.717 0.000 1.132 158 T HN 0.460 nan 8.240 nan 0.000 0.531 159 A N 0.949 123.777 122.820 0.014 0.000 2.511 159 A HA 0.282 4.610 4.320 0.013 0.000 0.242 159 A C 0.881 178.519 177.584 0.090 0.000 1.069 159 A CA -0.032 52.046 52.037 0.069 0.000 0.763 159 A CB 0.192 19.293 19.000 0.169 0.000 1.001 159 A HN 0.309 nan 8.150 nan 0.000 0.498 160 D N 0.207 120.652 120.400 0.073 0.000 2.349 160 D HA 0.085 4.733 4.640 0.013 0.000 0.215 160 D C 0.553 176.912 176.300 0.098 0.000 1.016 160 D CA 1.416 55.464 54.000 0.079 0.000 0.870 160 D CB 0.121 40.959 40.800 0.062 0.000 0.917 160 D HN 0.640 nan 8.370 nan 0.000 0.524 161 S N -1.419 114.355 115.700 0.124 0.000 2.615 161 S HA 0.222 4.700 4.470 0.013 0.000 0.269 161 S C 0.272 175.002 174.600 0.216 0.000 1.161 161 S CA -0.828 57.465 58.200 0.156 0.000 0.817 161 S CB 0.787 64.051 63.200 0.107 0.000 1.131 161 S HN -0.132 nan 8.310 nan 0.000 0.467 162 F N 1.710 121.701 119.950 0.069 0.000 2.171 162 F HA 0.010 4.545 4.527 0.012 0.000 0.300 162 F C 1.681 177.475 175.800 -0.010 0.000 1.090 162 F CA 1.898 59.879 58.000 -0.032 0.000 1.293 162 F CB -0.540 38.415 39.000 -0.075 0.000 1.013 162 F HN 0.690 nan 8.300 nan 0.000 0.486 163 D N 0.267 120.622 120.400 -0.075 0.000 2.144 163 D HA -0.178 4.470 4.640 0.013 0.000 0.199 163 D C 1.825 178.023 176.300 -0.170 0.000 0.984 163 D CA 1.522 55.416 54.000 -0.176 0.000 0.834 163 D CB -0.385 40.385 40.800 -0.050 0.000 0.955 163 D HN 0.348 nan 8.370 nan 0.000 0.465 164 D N -0.382 119.977 120.400 -0.070 0.000 2.144 164 D HA -0.147 4.501 4.640 0.013 0.000 0.200 164 D C 1.934 178.182 176.300 -0.086 0.000 0.978 164 D CA 0.491 54.458 54.000 -0.055 0.000 0.833 164 D CB -0.409 40.394 40.800 0.006 0.000 0.961 164 D HN 0.282 nan 8.370 nan 0.000 0.470 165 Y N 2.206 122.389 120.300 -0.195 0.000 2.097 165 Y HA -0.201 4.357 4.550 0.012 0.000 0.282 165 Y C 2.090 177.791 175.900 -0.332 0.000 1.152 165 Y CA 1.772 59.738 58.100 -0.223 0.000 1.136 165 Y CB -0.173 38.133 38.460 -0.258 0.000 0.975 165 Y HN -0.058 nan 8.280 nan 0.000 0.498 166 E N 0.084 119.927 120.200 -0.595 0.000 2.077 166 E HA -0.229 4.129 4.350 0.013 0.000 0.193 166 E C 2.388 178.736 176.600 -0.420 0.000 0.989 166 E CA 1.029 57.056 56.400 -0.622 0.000 0.800 166 E CB -0.415 28.899 29.700 -0.643 0.000 0.746 166 E HN 0.594 nan 8.360 nan 0.000 0.452 167 A N 1.606 124.242 122.820 -0.308 0.000 1.940 167 A HA -0.145 4.182 4.320 0.013 0.000 0.219 167 A C 2.389 179.847 177.584 -0.210 0.000 1.176 167 A CA 1.855 53.767 52.037 -0.208 0.000 0.631 167 A CB -0.535 18.379 19.000 -0.144 0.000 0.814 167 A HN 0.297 nan 8.150 nan 0.000 0.446 168 A N -0.593 122.078 122.820 -0.248 0.000 1.872 168 A HA 0.041 4.368 4.320 0.013 0.000 0.214 168 A C 2.107 179.516 177.584 -0.291 0.000 1.187 168 A CA 1.570 53.471 52.037 -0.227 0.000 0.614 168 A CB -0.648 18.229 19.000 -0.205 0.000 0.826 168 A HN 0.738 nan 8.150 nan 0.000 0.442 169 L N 0.022 120.971 121.223 -0.456 0.000 2.079 169 L HA -0.073 4.275 4.340 0.013 0.000 0.210 169 L C 2.450 179.145 176.870 -0.292 0.000 1.081 169 L CA 2.110 56.675 54.840 -0.459 0.000 0.752 169 L CB -0.590 41.071 42.059 -0.664 0.000 0.896 169 L HN 0.324 nan 8.230 nan 0.000 0.433 170 A N -0.679 121.987 122.820 -0.256 0.000 2.216 170 A HA -0.065 4.263 4.320 0.013 0.000 0.214 170 A C 1.560 179.070 177.584 -0.124 0.000 1.160 170 A CA 0.369 52.304 52.037 -0.169 0.000 0.725 170 A CB -0.602 18.306 19.000 -0.153 0.000 0.784 170 A HN 0.487 nan 8.150 nan 0.000 0.472 174 V N 5.376 125.261 119.914 -0.049 0.000 2.318 174 V HA 0.189 4.316 4.120 0.013 0.000 0.271 174 V C -1.318 174.750 176.094 -0.043 0.000 1.030 174 V CA -0.912 61.383 62.300 -0.007 0.000 0.844 174 V CB 1.347 33.122 31.823 -0.080 0.000 1.015 174 V HN 0.023 nan 8.190 nan 0.000 0.460 175 P HA 0.003 nan 4.420 nan 0.000 0.234 175 P C 0.536 177.714 177.300 -0.203 0.000 1.167 175 P CA 0.932 63.969 63.100 -0.106 0.000 0.763 175 P CB 0.736 32.389 31.700 -0.080 0.000 0.835 176 T N -2.145 112.234 114.554 -0.291 0.000 2.653 176 T HA 0.538 4.895 4.350 0.013 0.000 0.306 176 T C -1.907 172.546 174.700 -0.412 0.000 1.426 176 T CA -0.345 61.471 62.100 -0.475 0.000 1.008 176 T CB 0.189 68.645 68.868 -0.685 0.000 1.692 176 T HN -0.180 nan 8.240 nan 0.000 0.483 177 F N -0.151 119.708 119.950 -0.152 0.000 2.182 177 F HA -0.050 4.485 4.527 0.013 0.000 0.325 177 F C -0.113 175.575 175.800 -0.186 0.000 1.295 177 F CA -0.670 57.262 58.000 -0.113 0.000 0.940 177 F CB -0.975 38.024 39.000 -0.003 0.000 4.103 177 F HN 0.688 nan 8.300 nan 0.000 0.179 178 N N 2.240 121.014 118.700 0.123 0.000 2.499 178 N HA 0.758 5.506 4.740 0.013 0.000 0.281 178 N C -0.922 174.658 175.510 0.117 0.000 1.098 178 N CA -0.572 52.519 53.050 0.068 0.000 0.979 178 N CB 0.894 39.547 38.487 0.275 0.000 1.121 178 N HN 0.399 nan 8.380 nan 0.000 0.466 179 I N 2.215 122.813 120.570 0.047 0.000 2.447 179 I HA 0.320 4.498 4.170 0.013 0.000 0.287 179 I C -0.785 175.448 176.117 0.194 0.000 1.023 179 I CA -0.921 60.453 61.300 0.123 0.000 1.083 179 I CB 1.799 39.867 38.000 0.113 0.000 1.245 179 I HN 0.127 nan 8.210 nan 0.000 0.434 180 V N 6.398 126.466 119.914 0.257 0.000 2.483 180 V HA 0.411 4.539 4.120 0.013 0.000 0.295 180 V C -1.045 175.218 176.094 0.281 0.000 1.035 180 V CA -0.661 61.826 62.300 0.311 0.000 0.896 180 V CB 1.978 34.004 31.823 0.338 0.000 0.986 180 V HN 0.549 nan 8.190 nan 0.000 0.447 181 Y N 3.307 123.657 120.300 0.084 0.000 2.499 181 Y HA 0.840 5.398 4.550 0.013 0.000 0.347 181 Y C -0.333 175.507 175.900 -0.100 0.000 0.987 181 Y CA -0.723 57.326 58.100 -0.085 0.000 1.044 181 Y CB 2.006 40.277 38.460 -0.315 0.000 1.245 181 Y HN 0.796 nan 8.280 nan 0.000 0.461 182 A N 4.092 126.490 122.820 -0.704 0.000 2.547 182 A HA 0.654 4.981 4.320 0.013 0.000 0.297 182 A C -1.981 174.856 177.584 -1.246 0.000 1.056 182 A CA -0.405 51.265 52.037 -0.611 0.000 0.688 182 A CB 1.346 20.221 19.000 -0.208 0.000 1.282 182 A HN 0.824 nan 8.150 nan 0.000 0.400 183 D N -0.496 119.347 120.400 -0.928 0.000 2.610 183 D HA 0.417 5.064 4.640 0.013 0.000 0.271 183 D C 0.705 176.671 176.300 -0.556 0.000 1.174 183 D CA -0.626 52.798 54.000 -0.960 0.000 0.949 183 D CB 0.703 41.222 40.800 -0.468 0.000 1.430 183 D HN 0.493 nan 8.370 nan 0.000 0.467 184 R N -0.195 120.113 120.500 -0.321 0.000 2.237 184 R HA -0.035 4.313 4.340 0.013 0.000 0.219 184 R C 0.636 176.917 176.300 -0.030 0.000 1.080 184 R CA 0.913 56.993 56.100 -0.034 0.000 0.995 184 R CB -0.455 29.891 30.300 0.077 0.000 0.875 184 R HN 0.487 nan 8.270 nan 0.000 0.462 185 E N 0.647 120.814 120.200 -0.055 0.000 2.481 185 E HA 0.045 4.403 4.350 0.013 0.000 0.195 185 E C 1.055 177.630 176.600 -0.042 0.000 1.047 185 E CA 0.736 57.121 56.400 -0.025 0.000 0.867 185 E CB 0.293 29.993 29.700 -0.001 0.000 0.858 185 E HN 0.595 nan 8.360 nan 0.000 0.513 186 G N 0.871 109.627 108.800 -0.074 0.000 2.184 186 G HA2 -0.211 3.757 3.960 0.013 0.000 0.206 186 G HA3 -0.211 3.757 3.960 0.013 0.000 0.206 186 G C 0.281 175.119 174.900 -0.103 0.000 0.995 186 G CA 0.151 45.206 45.100 -0.074 0.000 0.651 186 G HN 0.267 nan 8.290 nan 0.000 0.511 187 T N 1.741 116.211 114.554 -0.140 0.000 2.856 187 T HA 0.603 4.961 4.350 0.013 0.000 0.292 187 T C 0.514 175.120 174.700 -0.156 0.000 0.980 187 T CA 0.547 62.514 62.100 -0.222 0.000 1.091 187 T CB 1.194 69.792 68.868 -0.450 0.000 0.936 187 T HN 0.966 nan 8.240 nan 0.000 0.503 188 I N 0.862 121.352 120.570 -0.134 0.000 2.608 188 I HA 0.823 5.001 4.170 0.013 0.000 0.295 188 I C -0.833 175.293 176.117 0.016 0.000 1.049 188 I CA -1.022 60.276 61.300 -0.003 0.000 1.063 188 I CB 2.357 40.375 38.000 0.030 0.000 1.248 188 I HN 0.474 nan 8.210 nan 0.000 0.424 189 N N 3.410 122.208 118.700 0.164 0.000 2.308 189 N HA 0.497 5.244 4.740 0.013 0.000 0.283 189 N C -2.084 173.621 175.510 0.325 0.000 1.105 189 N CA -0.535 52.647 53.050 0.220 0.000 0.840 189 N CB 2.112 40.762 38.487 0.272 0.000 1.633 189 N HN 0.716 nan 8.380 nan 0.000 0.476 190 Y N 1.623 122.047 120.300 0.207 0.000 2.376 190 Y HA 0.723 5.281 4.550 0.013 0.000 0.340 190 Y C -1.456 174.574 175.900 0.218 0.000 0.965 190 Y CA -0.498 57.729 58.100 0.212 0.000 1.078 190 Y CB 1.691 40.263 38.460 0.188 0.000 1.193 190 Y HN 0.481 nan 8.280 nan 0.000 0.452 191 S N 6.595 121.859 115.700 -0.726 0.000 2.614 191 S HA 0.313 4.790 4.470 0.013 0.000 0.288 191 S C -1.503 172.695 174.600 -0.670 0.000 1.137 191 S CA -0.606 57.252 58.200 -0.571 0.000 0.992 191 S CB 0.761 63.861 63.200 -0.168 0.000 1.026 191 S HN 0.627 nan 8.310 nan 0.000 0.486 192 F N 4.389 123.961 119.950 -0.631 0.000 2.567 192 F HA 0.368 4.903 4.527 0.013 0.000 0.352 192 F C 0.367 176.036 175.800 -0.220 0.000 1.229 192 F CA -0.603 57.192 58.000 -0.341 0.000 1.228 192 F CB -0.417 38.423 39.000 -0.267 0.000 1.568 192 F HN 0.581 nan 8.300 nan 0.000 0.634 193 N N 2.869 121.395 118.700 -0.291 0.000 2.445 193 N HA 0.717 5.465 4.740 0.013 0.000 0.264 193 N C -0.140 175.210 175.510 -0.268 0.000 1.227 193 N CA 0.674 53.596 53.050 -0.214 0.000 0.963 193 N CB 1.191 39.591 38.487 -0.146 0.000 1.188 193 N HN 0.797 nan 8.380 nan 0.000 0.491 194 G N -0.739 107.956 108.800 -0.175 0.000 2.347 194 G HA2 0.083 4.051 3.960 0.013 0.000 0.321 194 G HA3 0.083 4.051 3.960 0.013 0.000 0.321 194 G C -1.821 173.017 174.900 -0.102 0.000 1.412 194 G CA -0.750 44.247 45.100 -0.170 0.000 0.990 194 G HN 0.498 nan 8.290 nan 0.000 0.637 195 V N 1.215 121.070 119.914 -0.098 0.000 2.304 195 V HA 0.634 4.761 4.120 0.013 0.000 0.269 195 V C 0.806 176.841 176.094 -0.098 0.000 1.036 195 V CA 0.222 62.479 62.300 -0.071 0.000 0.840 195 V CB 0.619 32.406 31.823 -0.061 0.000 1.036 195 V HN 1.601 nan 8.190 nan 0.000 0.466 196 A N 8.637 131.429 122.820 -0.046 0.000 2.271 196 A HA 0.830 5.158 4.320 0.013 0.000 0.317 196 A C -2.488 175.020 177.584 -0.127 0.000 1.245 196 A CA -1.811 50.192 52.037 -0.058 0.000 0.857 196 A CB 0.889 19.959 19.000 0.116 0.000 1.175 196 A HN 0.547 nan 8.150 nan 0.000 0.512 197 P HA 0.135 nan 4.420 nan 0.000 0.271 197 P C -0.774 176.205 177.300 -0.535 0.000 1.216 197 P CA -0.061 62.611 63.100 -0.713 0.000 0.776 197 P CB 0.716 31.326 31.700 -1.816 0.000 0.881 198 K N 3.525 123.673 120.400 -0.420 0.000 2.339 198 K HA 0.238 4.565 4.320 0.013 0.000 0.286 198 K C 0.493 176.929 176.600 -0.273 0.000 1.050 198 K CA -0.005 56.077 56.287 -0.342 0.000 0.956 198 K CB 0.638 32.932 32.500 -0.344 0.000 0.990 198 K HN 0.389 nan 8.250 nan 0.000 0.475 199 R N 0.945 121.253 120.500 -0.319 0.000 2.670 199 R HA 0.285 4.632 4.340 0.013 0.000 0.289 199 R C 0.245 176.625 176.300 0.132 0.000 0.965 199 R CA -0.388 55.548 56.100 -0.273 0.000 0.899 199 R CB 1.684 31.403 30.300 -0.969 0.000 1.173 199 R HN 0.721 nan 8.270 nan 0.000 0.456 200 A N 2.136 125.086 122.820 0.217 0.000 2.178 200 A HA 0.019 4.347 4.320 0.013 0.000 0.211 200 A C 0.034 177.766 177.584 0.247 0.000 1.157 200 A CA 0.793 52.959 52.037 0.215 0.000 0.780 200 A CB -0.204 18.887 19.000 0.150 0.000 0.828 200 A HN 0.791 nan 8.150 nan 0.000 0.476 201 E N -3.361 117.051 120.200 0.354 0.000 2.409 201 E HA 0.497 4.855 4.350 0.013 0.000 0.280 201 E C -0.263 176.594 176.600 0.429 0.000 1.079 201 E CA -0.776 55.798 56.400 0.290 0.000 0.840 201 E CB 0.544 30.321 29.700 0.129 0.000 1.309 201 E HN 1.350 nan 8.360 nan 0.000 0.447 202 G N 1.777 110.695 108.800 0.198 0.000 2.907 202 G HA2 0.087 4.055 3.960 0.013 0.000 0.686 202 G HA3 0.087 4.055 3.960 0.013 0.000 0.686 202 G C -0.859 174.372 174.900 0.552 0.000 1.115 202 G CA -0.272 44.903 45.100 0.125 0.000 0.760 202 G HN 0.951 nan 8.290 nan 0.000 0.620 203 D N 0.945 121.594 120.400 0.415 0.000 2.451 203 D HA 0.499 5.147 4.640 0.013 0.000 0.259 203 D C 1.884 178.530 176.300 0.577 0.000 1.201 203 D CA -0.497 53.770 54.000 0.445 0.000 1.028 203 D CB 0.711 41.676 40.800 0.275 0.000 1.095 203 D HN 0.597 nan 8.370 nan 0.000 0.539 204 I N -0.207 120.641 120.570 0.464 0.000 2.194 204 I HA -0.323 3.854 4.170 0.013 0.000 0.246 204 I C 2.071 178.399 176.117 0.352 0.000 1.093 204 I CA 1.903 63.461 61.300 0.430 0.000 1.355 204 I CB -0.246 37.943 38.000 0.315 0.000 1.046 204 I HN 0.538 nan 8.210 nan 0.000 0.413 205 A N 0.379 123.365 122.820 0.276 0.000 1.940 205 A HA -0.296 4.032 4.320 0.013 0.000 0.219 205 A C 2.187 179.867 177.584 0.161 0.000 1.176 205 A CA 1.848 53.999 52.037 0.190 0.000 0.631 205 A CB -1.178 17.916 19.000 0.158 0.000 0.814 205 A HN 0.629 nan 8.150 nan 0.000 0.446 206 F N -0.914 119.069 119.950 0.054 0.000 2.102 206 F HA -0.163 4.371 4.527 0.013 0.000 0.298 206 F C 1.693 177.362 175.800 -0.218 0.000 1.105 206 F CA 1.575 59.502 58.000 -0.122 0.000 1.239 206 F CB -0.402 38.479 39.000 -0.198 0.000 0.991 206 F HN 0.359 nan 8.300 nan 0.000 0.474 207 W N 0.631 121.962 121.300 0.052 0.000 3.180 207 W HA 0.100 4.768 4.660 0.013 0.000 0.254 207 W C 1.945 178.398 176.519 -0.110 0.000 1.318 207 W CA 0.235 57.532 57.345 -0.079 0.000 1.608 207 W CB -0.257 29.253 29.460 0.084 0.000 1.124 207 W HN 0.128 nan 8.180 nan 0.000 0.694 208 Q N -0.744 119.100 119.800 0.073 0.000 2.378 208 Q HA 0.161 4.509 4.340 0.013 0.000 0.216 208 Q C 1.477 177.441 176.000 -0.060 0.000 0.892 208 Q CA 0.252 56.077 55.803 0.037 0.000 0.931 208 Q CB 0.470 29.252 28.738 0.073 0.000 1.086 208 Q HN 0.180 nan 8.270 nan 0.000 0.528 209 G N 0.196 108.903 108.800 -0.155 0.000 2.583 209 G HA2 0.469 4.436 3.960 0.013 0.000 0.280 209 G HA3 0.469 4.436 3.960 0.013 0.000 0.280 209 G C -0.682 174.056 174.900 -0.269 0.000 1.376 209 G CA -0.740 44.250 45.100 -0.183 0.000 1.043 209 G HN 0.063 nan 8.290 nan 0.000 0.538 210 L N 0.659 121.734 121.223 -0.247 0.000 2.418 210 L HA 0.218 4.566 4.340 0.013 0.000 0.274 210 L C 0.049 176.664 176.870 -0.424 0.000 1.135 210 L CA -0.399 54.282 54.840 -0.266 0.000 0.870 210 L CB 1.005 42.966 42.059 -0.164 0.000 1.154 210 L HN 0.004 nan 8.230 nan 0.000 0.462 211 V N 5.759 125.344 119.914 -0.547 0.000 2.686 211 V HA 0.247 4.375 4.120 0.013 0.000 0.295 211 V C -1.999 173.874 176.094 -0.369 0.000 1.057 211 V CA -1.772 60.077 62.300 -0.753 0.000 1.012 211 V CB 1.391 32.642 31.823 -0.953 0.000 1.006 211 V HN 0.609 nan 8.190 nan 0.000 0.477 212 P HA 0.098 nan 4.420 nan 0.000 0.263 212 P C 0.583 178.015 177.300 0.220 0.000 1.195 212 P CA 0.380 63.429 63.100 -0.085 0.000 0.762 212 P CB 0.514 32.145 31.700 -0.116 0.000 0.799 213 G N 2.169 111.092 108.800 0.205 0.000 3.523 213 G HA2 0.016 3.983 3.960 0.013 0.000 0.270 213 G HA3 0.016 3.983 3.960 0.013 0.000 0.270 213 G C 0.124 175.284 174.900 0.434 0.000 1.134 213 G CA -0.194 45.019 45.100 0.189 0.000 0.825 213 G HN 0.490 nan 8.290 nan 0.000 0.534 214 D N -0.916 119.715 120.400 0.383 0.000 2.501 214 D HA 0.218 4.866 4.640 0.013 0.000 0.226 214 D C 0.236 176.635 176.300 0.164 0.000 1.198 214 D CA -0.527 53.677 54.000 0.340 0.000 0.830 214 D CB 0.467 41.392 40.800 0.209 0.000 1.014 214 D HN -0.007 nan 8.370 nan 0.000 0.496 215 S N -0.534 115.268 115.700 0.170 0.000 2.566 215 S HA 0.332 4.810 4.470 0.013 0.000 0.273 215 S C 0.653 175.153 174.600 -0.168 0.000 1.157 215 S CA -0.171 57.952 58.200 -0.128 0.000 0.938 215 S CB 1.304 64.562 63.200 0.097 0.000 1.087 215 S HN 0.079 nan 8.310 nan 0.000 0.474 216 S N 3.935 119.326 115.700 -0.514 0.000 2.507 216 S HA -0.060 4.418 4.470 0.013 0.000 0.235 216 S C 1.633 176.211 174.600 -0.036 0.000 0.988 216 S CA 0.603 58.716 58.200 -0.145 0.000 0.944 216 S CB -0.362 62.751 63.200 -0.145 0.000 0.762 216 S HN 0.759 nan 8.310 nan 0.000 0.526 217 R N 0.059 120.461 120.500 -0.164 0.000 2.193 217 R HA -0.068 4.280 4.340 0.013 0.000 0.229 217 R C 0.612 176.755 176.300 -0.262 0.000 1.110 217 R CA 1.330 57.257 56.100 -0.290 0.000 0.988 217 R CB -0.193 29.790 30.300 -0.530 0.000 0.871 217 R HN 0.616 nan 8.270 nan 0.000 0.458 218 Y N -1.028 119.476 120.300 0.339 0.000 2.481 218 Y HA 0.192 4.749 4.550 0.012 0.000 0.247 218 Y C -0.166 176.118 175.900 0.640 0.000 1.151 218 Y CA -0.663 57.800 58.100 0.603 0.000 1.238 218 Y CB 0.504 39.329 38.460 0.608 0.000 1.179 218 Y HN -0.049 nan 8.280 nan 0.000 0.524 219 L N 3.704 125.171 121.223 0.406 0.000 2.334 219 L HA 0.190 4.537 4.340 0.013 0.000 0.286 219 L C 0.198 177.141 176.870 0.122 0.000 1.108 219 L CA -0.868 54.053 54.840 0.134 0.000 0.875 219 L CB -0.350 41.714 42.059 0.008 0.000 1.246 219 L HN 0.171 nan 8.230 nan 0.000 0.439 220 W N 3.141 124.588 121.300 0.246 0.000 2.161 220 W HA 0.443 5.110 4.660 0.012 0.000 0.344 220 W C 0.156 176.708 176.519 0.054 0.000 1.262 220 W CA -0.096 57.302 57.345 0.088 0.000 1.270 220 W CB -0.049 29.387 29.460 -0.040 0.000 1.126 220 W HN 0.618 nan 8.180 nan 0.000 0.598 221 T N -3.238 111.538 114.554 0.370 0.000 3.254 221 T HA 0.044 4.401 4.350 0.013 0.000 0.267 221 T C 0.251 175.093 174.700 0.237 0.000 0.946 221 T CA -0.123 62.122 62.100 0.241 0.000 0.991 221 T CB 0.351 69.281 68.868 0.103 0.000 1.205 221 T HN 0.276 nan 8.240 nan 0.000 0.494 222 E N 2.872 123.162 120.200 0.150 0.000 2.314 222 E HA 0.555 4.912 4.350 0.013 0.000 0.262 222 E C -0.095 176.490 176.600 -0.025 0.000 1.093 222 E CA -0.041 56.388 56.400 0.048 0.000 0.908 222 E CB 1.381 31.075 29.700 -0.010 0.000 1.091 222 E HN 0.657 nan 8.360 nan 0.000 0.425 223 T N -2.009 112.502 114.554 -0.071 0.000 2.906 223 T HA 0.355 4.713 4.350 0.013 0.000 0.295 223 T C -0.102 174.521 174.700 -0.128 0.000 1.075 223 T CA -0.900 61.124 62.100 -0.127 0.000 1.005 223 T CB 1.075 69.905 68.868 -0.063 0.000 1.136 223 T HN 0.263 nan 8.240 nan 0.000 0.498 224 H N 2.437 121.494 119.070 -0.022 0.000 2.764 224 H HA 0.337 4.901 4.556 0.013 0.000 0.341 224 H C -1.911 173.416 175.328 -0.003 0.000 1.072 224 H CA -0.813 55.240 56.048 0.009 0.000 1.444 224 H CB 1.023 30.808 29.762 0.038 0.000 1.458 224 H HN 0.530 nan 8.280 nan 0.000 0.572 225 P HA -0.019 nan 4.420 nan 0.000 0.278 225 P C 1.062 178.395 177.300 0.056 0.000 1.258 225 P CA -0.627 62.510 63.100 0.060 0.000 0.811 225 P CB 1.526 33.251 31.700 0.043 0.000 1.063 226 L N 1.742 122.968 121.223 0.006 0.000 2.021 226 L HA -0.209 4.138 4.340 0.013 0.000 0.215 226 L C 1.769 178.649 176.870 0.017 0.000 1.074 226 L CA 2.294 57.126 54.840 -0.012 0.000 0.760 226 L CB -1.491 40.531 42.059 -0.062 0.000 0.889 226 L HN 0.473 nan 8.230 nan 0.000 0.433 227 D N -2.408 118.006 120.400 0.023 0.000 2.403 227 D HA -0.182 4.466 4.640 0.013 0.000 0.227 227 D C 0.709 177.051 176.300 0.070 0.000 0.995 227 D CA 0.821 54.846 54.000 0.042 0.000 0.928 227 D CB -0.252 40.564 40.800 0.027 0.000 0.887 227 D HN 0.426 nan 8.370 nan 0.000 0.529 228 D N -0.225 120.226 120.400 0.084 0.000 2.367 228 D HA 0.099 4.746 4.640 0.013 0.000 0.207 228 D C 0.357 176.731 176.300 0.123 0.000 1.034 228 D CA -0.028 54.026 54.000 0.090 0.000 0.861 228 D CB 0.509 41.383 40.800 0.123 0.000 0.943 228 D HN 0.115 nan 8.370 nan 0.000 0.515 229 L N 1.024 122.302 121.223 0.091 0.000 2.360 229 L HA 0.411 4.758 4.340 0.013 0.000 0.271 229 L C -2.102 174.746 176.870 -0.036 0.000 1.057 229 L CA -2.535 52.317 54.840 0.020 0.000 0.803 229 L CB 0.202 42.282 42.059 0.035 0.000 1.207 229 L HN -0.288 nan 8.230 nan 0.000 0.445 230 P HA 0.162 nan 4.420 nan 0.000 0.263 230 P C -0.611 176.660 177.300 -0.049 0.000 1.195 230 P CA 0.348 63.056 63.100 -0.652 0.000 0.762 230 P CB 0.464 31.523 31.700 -1.069 0.000 0.799 231 R N 1.861 122.482 120.500 0.202 0.000 2.668 231 R HA 0.659 5.007 4.340 0.013 0.000 0.272 231 R C -1.591 174.977 176.300 0.446 0.000 1.019 231 R CA -0.955 55.304 56.100 0.265 0.000 0.894 231 R CB 2.191 32.584 30.300 0.155 0.000 1.228 231 R HN 0.142 nan 8.270 nan 0.000 0.460 232 V N 1.162 121.323 119.914 0.411 0.000 2.686 232 V HA 0.491 4.618 4.120 0.013 0.000 0.306 232 V C -0.603 175.626 176.094 0.225 0.000 1.065 232 V CA -0.673 61.817 62.300 0.316 0.000 0.894 232 V CB 2.370 34.358 31.823 0.275 0.000 1.004 232 V HN 0.790 nan 8.190 nan 0.000 0.424 233 T N 3.008 117.650 114.554 0.147 0.000 2.881 233 T HA 0.389 4.746 4.350 0.013 0.000 0.291 233 T C -0.008 174.699 174.700 0.012 0.000 0.990 233 T CA -0.580 61.565 62.100 0.076 0.000 0.976 233 T CB 0.732 69.661 68.868 0.102 0.000 0.970 233 T HN 0.832 nan 8.240 nan 0.000 0.438 234 N N 2.392 121.073 118.700 -0.030 0.000 2.669 234 N HA -0.137 4.611 4.740 0.013 0.000 0.266 234 N C -2.416 173.072 175.510 -0.036 0.000 1.024 234 N CA -0.153 52.871 53.050 -0.043 0.000 0.766 234 N CB -0.549 37.904 38.487 -0.058 0.000 0.898 234 N HN 0.444 nan 8.380 nan 0.000 0.548 235 P HA 0.100 nan 4.420 nan 0.000 0.274 235 P C -1.827 175.421 177.300 -0.086 0.000 1.246 235 P CA -1.141 61.910 63.100 -0.081 0.000 0.795 235 P CB 0.703 32.318 31.700 -0.142 0.000 1.006 236 P HA -0.134 nan 4.420 nan 0.000 0.216 236 P C 1.642 178.906 177.300 -0.062 0.000 1.150 236 P CA 1.957 65.014 63.100 -0.071 0.000 0.843 236 P CB -0.498 31.151 31.700 -0.084 0.000 0.787 237 G N -1.361 107.379 108.800 -0.099 0.000 2.509 237 G HA2 0.054 4.021 3.960 0.013 0.000 0.218 237 G HA3 0.054 4.021 3.960 0.013 0.000 0.218 237 G C 1.205 176.143 174.900 0.063 0.000 1.124 237 G CA 0.663 45.745 45.100 -0.030 0.000 0.776 237 G HN 0.464 nan 8.290 nan 0.000 0.547 238 G N -1.307 107.486 108.800 -0.012 0.000 2.148 238 G HA2 -0.094 3.874 3.960 0.013 0.000 0.254 238 G HA3 -0.094 3.874 3.960 0.013 0.000 0.254 238 G C 0.159 175.147 174.900 0.147 0.000 0.981 238 G CA 0.591 45.723 45.100 0.053 0.000 0.670 238 G HN 1.548 nan 8.290 nan 0.000 0.528 239 F N -2.574 117.376 119.950 0.000 0.000 2.713 239 F HA 0.828 5.362 4.527 0.012 0.000 0.311 239 F C -1.192 174.643 175.800 0.058 0.000 1.141 239 F CA -1.652 56.355 58.000 0.011 0.000 0.939 239 F CB 1.452 40.428 39.000 -0.040 0.000 1.325 239 F HN 0.385 nan 8.300 nan 0.000 0.453 240 V N 1.966 122.018 119.914 0.231 0.000 2.841 240 V HA 0.773 4.901 4.120 0.013 0.000 0.310 240 V C -1.595 174.749 176.094 0.417 0.000 1.090 240 V CA -0.184 62.207 62.300 0.153 0.000 0.930 240 V CB 2.203 34.140 31.823 0.189 0.000 1.014 240 V HN 1.175 nan 8.190 nan 0.000 0.425 241 Q N 4.160 124.145 119.800 0.309 0.000 2.630 241 Q HA 0.610 4.957 4.340 0.013 0.000 0.295 241 Q C -1.404 174.693 176.000 0.163 0.000 0.944 241 Q CA -0.688 55.365 55.803 0.416 0.000 0.766 241 Q CB 1.719 30.856 28.738 0.666 0.000 1.471 241 Q HN 0.600 nan 8.270 nan 0.000 0.416 242 N N 0.057 118.884 118.700 0.211 0.000 2.666 242 N HA 0.243 4.990 4.740 0.013 0.000 0.260 242 N C -1.560 174.012 175.510 0.102 0.000 1.077 242 N CA -0.170 52.948 53.050 0.113 0.000 1.026 242 N CB 1.908 40.476 38.487 0.136 0.000 1.653 242 N HN 0.594 nan 8.380 nan 0.000 0.533 243 S N 2.531 118.274 115.700 0.073 0.000 2.592 243 S HA 0.278 4.756 4.470 0.013 0.000 0.243 243 S C 0.388 174.999 174.600 0.017 0.000 1.160 243 S CA -0.371 57.843 58.200 0.023 0.000 1.145 243 S CB -0.574 62.671 63.200 0.075 0.000 0.909 243 S HN 0.812 nan 8.310 nan 0.000 0.487 244 N N 1.463 120.181 118.700 0.031 0.000 2.965 244 N HA -0.149 4.599 4.740 0.013 0.000 0.232 244 N C -0.602 174.903 175.510 -0.008 0.000 0.913 244 N CA 1.198 54.271 53.050 0.039 0.000 0.981 244 N CB -0.941 37.578 38.487 0.052 0.000 1.077 244 N HN 0.611 nan 8.380 nan 0.000 0.589 245 D N 0.684 121.036 120.400 -0.081 0.000 2.344 245 D HA 0.273 4.921 4.640 0.013 0.000 0.244 245 D C -2.392 173.745 176.300 -0.272 0.000 1.134 245 D CA -1.257 52.590 54.000 -0.256 0.000 0.930 245 D CB 0.058 40.571 40.800 -0.478 0.000 1.175 245 D HN -0.071 nan 8.370 nan 0.000 0.437 246 P HA 0.048 nan 4.420 nan 0.000 0.267 246 P C -1.799 175.162 177.300 -0.564 0.000 1.201 246 P CA -0.692 62.188 63.100 -0.367 0.000 0.775 246 P CB -0.101 31.498 31.700 -0.170 0.000 0.854 247 P HA -0.063 nan 4.420 nan 0.000 0.269 247 P C 0.014 177.062 177.300 -0.421 0.000 1.376 247 P CA 0.696 63.426 63.100 -0.616 0.000 0.775 247 P CB -0.531 30.753 31.700 -0.693 0.000 1.345 248 W N 0.498 121.947 121.300 0.247 0.000 3.139 248 W HA 0.076 4.745 4.660 0.015 0.000 0.260 248 W C 0.683 177.385 176.519 0.305 0.000 1.312 248 W CA 0.239 57.791 57.345 0.344 0.000 1.606 248 W CB 0.027 29.731 29.460 0.407 0.000 1.118 248 W HN 0.080 nan 8.180 nan 0.000 0.675 249 T N -3.706 111.099 114.554 0.418 0.000 3.839 249 T HA 0.154 4.512 4.350 0.013 0.000 0.230 249 T C -1.674 173.123 174.700 0.162 0.000 1.095 249 T CA -1.251 61.064 62.100 0.358 0.000 1.470 249 T CB 0.670 69.829 68.868 0.486 0.000 0.881 249 T HN -0.218 nan 8.240 nan 0.000 0.637 250 P HA 0.129 nan 4.420 nan 0.000 0.233 250 P C 0.474 177.682 177.300 -0.153 0.000 1.167 250 P CA 0.746 63.699 63.100 -0.246 0.000 0.770 250 P CB 0.395 31.760 31.700 -0.558 0.000 0.837 251 T N -1.925 112.547 114.554 -0.136 0.000 2.769 251 T HA 0.434 4.792 4.350 0.013 0.000 0.306 251 T C -2.711 171.975 174.700 -0.024 0.000 1.400 251 T CA -0.684 61.163 62.100 -0.421 0.000 1.007 251 T CB 1.254 69.813 68.868 -0.515 0.000 1.392 251 T HN -0.031 nan 8.240 nan 0.000 0.500 252 W N 4.938 126.024 121.300 -0.357 0.000 2.968 252 W HA 0.436 5.103 4.660 0.011 0.000 0.337 252 W C -2.660 173.838 176.519 -0.035 0.000 1.060 252 W CA -1.986 55.343 57.345 -0.026 0.000 1.240 252 W CB 1.899 31.492 29.460 0.221 0.000 1.370 252 W HN 0.595 nan 8.180 nan 0.000 0.459 253 P HA 0.062 nan 4.420 nan 0.000 0.272 253 P C 0.084 177.158 177.300 -0.377 0.000 1.240 253 P CA 0.097 62.771 63.100 -0.710 0.000 0.791 253 P CB 1.313 32.668 31.700 -0.575 0.000 0.978 254 V N -1.184 118.511 119.914 -0.364 0.000 3.185 254 V HA 0.288 4.416 4.120 0.013 0.000 0.305 254 V C 1.166 177.130 176.094 -0.217 0.000 1.090 254 V CA 0.724 62.897 62.300 -0.211 0.000 1.107 254 V CB -0.139 31.625 31.823 -0.098 0.000 1.061 254 V HN 0.802 nan 8.190 nan 0.000 0.480 255 T N -1.239 113.155 114.554 -0.267 0.000 3.091 255 T HA 0.453 4.811 4.350 0.013 0.000 0.277 255 T C -0.147 174.579 174.700 0.044 0.000 0.996 255 T CA 0.428 62.454 62.100 -0.124 0.000 0.897 255 T CB -0.538 68.285 68.868 -0.074 0.000 1.109 255 T HN 1.471 nan 8.240 nan 0.000 0.534 256 Y N -1.124 119.268 120.300 0.153 0.000 2.774 256 Y HA 0.683 5.241 4.550 0.012 0.000 0.346 256 Y C -0.963 175.073 175.900 0.228 0.000 1.222 256 Y CA -1.442 56.781 58.100 0.205 0.000 1.088 256 Y CB 0.525 39.206 38.460 0.368 0.000 1.354 256 Y HN 0.182 nan 8.280 nan 0.000 0.455 257 T N -2.998 111.854 114.554 0.497 0.000 2.901 257 T HA 0.519 4.876 4.350 0.013 0.000 0.293 257 T C -2.698 172.028 174.700 0.045 0.000 1.084 257 T CA -2.400 59.849 62.100 0.249 0.000 1.008 257 T CB 2.370 71.272 68.868 0.057 0.000 1.170 257 T HN 0.350 nan 8.240 nan 0.000 0.509 258 P HA -0.221 nan 4.420 nan 0.000 0.218 258 P C 1.369 178.481 177.300 -0.313 0.000 1.154 258 P CA 1.682 64.209 63.100 -0.955 0.000 0.872 258 P CB -0.072 31.014 31.700 -1.024 0.000 0.790 259 K N -0.984 119.302 120.400 -0.189 0.000 2.360 259 K HA -0.144 4.183 4.320 0.013 0.000 0.201 259 K C 0.931 177.455 176.600 -0.127 0.000 1.046 259 K CA 1.528 57.744 56.287 -0.119 0.000 0.940 259 K CB -0.707 31.738 32.500 -0.092 0.000 0.748 259 K HN 0.095 nan 8.250 nan 0.000 0.465 260 D N -0.049 120.266 120.400 -0.141 0.000 2.363 260 D HA 0.065 4.712 4.640 0.013 0.000 0.226 260 D C -0.438 175.362 176.300 -0.834 0.000 1.020 260 D CA 0.662 54.407 54.000 -0.424 0.000 0.892 260 D CB 0.008 40.520 40.800 -0.480 0.000 0.900 260 D HN 0.141 nan 8.370 nan 0.000 0.531 261 F N -0.817 119.059 119.950 -0.122 0.000 2.643 261 F HA 0.360 4.894 4.527 0.012 0.000 0.314 261 F C -2.161 173.522 175.800 -0.194 0.000 1.096 261 F CA -2.606 55.305 58.000 -0.149 0.000 0.953 261 F CB 0.714 39.650 39.000 -0.107 0.000 1.345 261 F HN -0.420 nan 8.300 nan 0.000 0.468 262 P HA 0.070 nan 4.420 nan 0.000 0.264 262 P C 0.512 177.609 177.300 -0.339 0.000 1.193 262 P CA 0.148 63.017 63.100 -0.385 0.000 0.763 262 P CB 0.731 31.896 31.700 -0.891 0.000 0.810 263 S N 1.987 117.593 115.700 -0.156 0.000 2.528 263 S HA -0.211 4.267 4.470 0.013 0.000 0.244 263 S C 1.250 175.922 174.600 0.120 0.000 0.982 263 S CA 0.886 59.099 58.200 0.022 0.000 0.953 263 S CB -1.184 62.075 63.200 0.098 0.000 0.754 263 S HN 0.590 nan 8.310 nan 0.000 0.529 264 Y N -0.636 119.776 120.300 0.186 0.000 2.449 264 Y HA 0.529 5.086 4.550 0.012 0.000 0.254 264 Y C 1.516 177.493 175.900 0.128 0.000 1.140 264 Y CA -1.116 57.100 58.100 0.194 0.000 1.272 264 Y CB -0.523 38.042 38.460 0.175 0.000 1.114 264 Y HN 0.123 nan 8.280 nan 0.000 0.525 265 L N 0.721 121.970 121.223 0.044 0.000 2.027 265 L HA 0.133 4.480 4.340 0.013 0.000 0.206 265 L C 1.074 178.036 176.870 0.154 0.000 1.074 265 L CA 1.133 56.030 54.840 0.095 0.000 0.745 265 L CB -0.333 41.654 42.059 -0.120 0.000 0.898 265 L HN 0.406 nan 8.230 nan 0.000 0.433 266 A N -1.326 121.548 122.820 0.090 0.000 2.587 266 A HA 0.662 4.990 4.320 0.013 0.000 0.293 266 A C -2.557 175.176 177.584 0.248 0.000 1.087 266 A CA -1.140 50.956 52.037 0.098 0.000 0.692 266 A CB 1.170 19.937 19.000 -0.388 0.000 1.291 266 A HN -0.147 nan 8.150 nan 0.000 0.407 267 P HA 0.269 nan 4.420 nan 0.000 0.274 267 P C -0.913 176.646 177.300 0.432 0.000 1.246 267 P CA 0.049 63.311 63.100 0.271 0.000 0.795 267 P CB 0.744 32.556 31.700 0.188 0.000 1.006 268 Q N -0.288 119.738 119.800 0.377 0.000 2.217 268 Q HA 0.178 4.526 4.340 0.013 0.000 0.340 268 Q C 0.070 176.254 176.000 0.307 0.000 0.893 268 Q CA -0.275 55.791 55.803 0.438 0.000 1.142 268 Q CB 0.434 29.330 28.738 0.264 0.000 1.288 268 Q HN 0.528 nan 8.270 nan 0.000 0.426 269 T N -2.764 111.913 114.554 0.206 0.000 2.902 269 T HA 0.468 4.826 4.350 0.013 0.000 0.280 269 T C -2.483 172.088 174.700 -0.216 0.000 0.992 269 T CA -2.143 59.992 62.100 0.059 0.000 1.015 269 T CB 0.950 69.847 68.868 0.048 0.000 1.044 269 T HN -0.124 nan 8.240 nan 0.000 0.520 270 P HA 0.107 nan 4.420 nan 0.000 0.262 270 P C -0.440 176.391 177.300 -0.783 0.000 1.182 270 P CA 0.086 62.508 63.100 -1.130 0.000 0.761 270 P CB 0.019 31.431 31.700 -0.481 0.000 0.795 271 H N 0.423 118.716 119.070 -1.296 0.000 2.803 271 H HA 0.157 4.721 4.556 0.014 0.000 0.330 271 H C 0.949 176.135 175.328 -0.238 0.000 1.057 271 H CA -0.355 55.424 56.048 -0.449 0.000 1.458 271 H CB 0.017 29.709 29.762 -0.117 0.000 1.470 271 H HN 0.346 nan 8.280 nan 0.000 0.560 272 S N 2.675 118.383 115.700 0.013 0.000 2.580 272 S HA 0.004 4.482 4.470 0.013 0.000 0.266 272 S C 1.569 176.248 174.600 0.131 0.000 1.354 272 S CA -0.615 57.627 58.200 0.070 0.000 1.008 272 S CB 0.503 63.756 63.200 0.088 0.000 0.898 272 S HN 0.628 nan 8.310 nan 0.000 0.555 273 L N 0.718 122.039 121.223 0.163 0.000 2.201 273 L HA -0.050 4.298 4.340 0.013 0.000 0.212 273 L C 2.948 179.940 176.870 0.203 0.000 1.105 273 L CA 1.506 56.460 54.840 0.190 0.000 0.775 273 L CB -0.570 41.623 42.059 0.223 0.000 0.913 273 L HN 0.830 nan 8.230 nan 0.000 0.440 274 R N 0.742 121.365 120.500 0.205 0.000 2.073 274 R HA -0.112 4.235 4.340 0.013 0.000 0.229 274 R C 2.324 178.784 176.300 0.267 0.000 1.120 274 R CA 1.288 57.531 56.100 0.237 0.000 0.967 274 R CB -0.177 30.226 30.300 0.173 0.000 0.862 274 R HN 0.261 nan 8.270 nan 0.000 0.436 275 A N 0.717 123.656 122.820 0.199 0.000 1.969 275 A HA -0.145 4.182 4.320 0.013 0.000 0.218 275 A C 1.995 179.712 177.584 0.223 0.000 1.169 275 A CA 1.160 53.314 52.037 0.196 0.000 0.635 275 A CB -0.304 18.755 19.000 0.098 0.000 0.810 275 A HN 0.506 nan 8.150 nan 0.000 0.445 276 Q N -0.983 118.943 119.800 0.210 0.000 2.123 276 Q HA -0.153 4.194 4.340 0.013 0.000 0.199 276 Q C 2.234 178.304 176.000 0.116 0.000 0.966 276 Q CA 1.183 57.087 55.803 0.168 0.000 0.845 276 Q CB -0.152 28.687 28.738 0.168 0.000 0.907 276 Q HN 0.582 nan 8.270 nan 0.000 0.439 277 Q N 0.070 119.964 119.800 0.156 0.000 2.124 277 Q HA -0.139 4.209 4.340 0.013 0.000 0.202 277 Q C 2.201 178.248 176.000 0.079 0.000 0.977 277 Q CA 1.180 57.052 55.803 0.114 0.000 0.850 277 Q CB -0.361 28.492 28.738 0.192 0.000 0.901 277 Q HN 0.233 nan 8.270 nan 0.000 0.429 278 S N -0.102 115.738 115.700 0.234 0.000 2.365 278 S HA -0.134 4.343 4.470 0.013 0.000 0.225 278 S C 2.045 176.718 174.600 0.122 0.000 1.039 278 S CA 1.474 59.868 58.200 0.323 0.000 1.033 278 S CB -0.125 63.420 63.200 0.575 0.000 0.887 278 S HN 0.207 nan 8.310 nan 0.000 0.447 279 V N 2.023 121.991 119.914 0.091 0.000 2.343 279 V HA -0.123 4.005 4.120 0.013 0.000 0.247 279 V C 2.677 178.647 176.094 -0.208 0.000 1.051 279 V CA 1.922 64.215 62.300 -0.011 0.000 1.036 279 V CB -0.694 31.137 31.823 0.014 0.000 0.654 279 V HN 0.421 nan 8.190 nan 0.000 0.451 280 R N -0.578 119.817 120.500 -0.175 0.000 2.062 280 R HA -0.007 4.341 4.340 0.013 0.000 0.231 280 R C 1.164 177.297 176.300 -0.278 0.000 1.136 280 R CA 0.719 56.696 56.100 -0.206 0.000 0.948 280 R CB -0.412 29.806 30.300 -0.137 0.000 0.845 280 R HN 0.353 nan 8.270 nan 0.000 0.430 284 E N 1.722 121.818 120.200 -0.174 0.000 2.481 284 E HA 0.246 4.604 4.350 0.013 0.000 0.195 284 E C -0.351 176.170 176.600 -0.132 0.000 1.047 284 E CA 0.110 56.437 56.400 -0.122 0.000 0.867 284 E CB 0.096 29.719 29.700 -0.129 0.000 0.858 284 E HN 0.457 nan 8.360 nan 0.000 0.513 285 N N 1.038 119.628 118.700 -0.183 0.000 2.321 285 N HA 0.204 4.951 4.740 0.013 0.000 0.299 285 N C -1.217 174.213 175.510 -0.134 0.000 1.048 285 N CA -0.328 52.625 53.050 -0.163 0.000 0.836 285 N CB 2.023 40.385 38.487 -0.208 0.000 1.269 285 N HN -0.066 nan 8.380 nan 0.000 0.486 286 D N -0.708 119.635 120.400 -0.095 0.000 2.493 286 D HA 0.249 4.897 4.640 0.013 0.000 0.239 286 D C -0.635 175.624 176.300 -0.068 0.000 1.049 286 D CA -0.110 53.847 54.000 -0.070 0.000 1.008 286 D CB 1.178 41.949 40.800 -0.047 0.000 1.398 286 D HN 0.473 nan 8.370 nan 0.000 0.513 287 D N 0.227 120.592 120.400 -0.058 0.000 2.751 287 D HA -0.178 4.470 4.640 0.013 0.000 0.233 287 D C -0.661 175.600 176.300 -0.065 0.000 1.149 287 D CA 0.459 54.426 54.000 -0.055 0.000 0.682 287 D CB -1.037 39.735 40.800 -0.047 0.000 1.068 287 D HN 0.323 nan 8.370 nan 0.000 0.429 288 L N 0.116 121.292 121.223 -0.079 0.000 2.485 288 L HA 0.179 4.526 4.340 0.013 0.000 0.275 288 L C 1.494 178.316 176.870 -0.080 0.000 1.207 288 L CA 0.897 55.689 54.840 -0.080 0.000 0.855 288 L CB 0.493 42.495 42.059 -0.095 0.000 1.114 288 L HN 0.258 nan 8.230 nan 0.000 0.485 289 T N -0.614 113.905 114.554 -0.059 0.000 2.942 289 T HA 0.307 4.665 4.350 0.013 0.000 0.289 289 T C 0.627 175.303 174.700 -0.040 0.000 1.044 289 T CA -0.934 61.130 62.100 -0.060 0.000 1.023 289 T CB 1.709 70.546 68.868 -0.051 0.000 1.123 289 T HN 0.414 nan 8.240 nan 0.000 0.512 290 L N 0.692 121.883 121.223 -0.054 0.000 2.083 290 L HA 0.030 4.378 4.340 0.013 0.000 0.209 290 L C 2.284 179.152 176.870 -0.003 0.000 1.083 290 L CA 1.960 56.788 54.840 -0.019 0.000 0.752 290 L CB -1.105 40.931 42.059 -0.038 0.000 0.899 290 L HN 0.794 nan 8.230 nan 0.000 0.433 291 E N -0.591 119.571 120.200 -0.063 0.000 2.077 291 E HA -0.220 4.138 4.350 0.013 0.000 0.193 291 E C 2.307 178.865 176.600 -0.070 0.000 0.989 291 E CA 1.224 57.560 56.400 -0.106 0.000 0.800 291 E CB -0.287 29.351 29.700 -0.104 0.000 0.746 291 E HN 0.294 nan 8.360 nan 0.000 0.452 292 R N -0.020 120.460 120.500 -0.034 0.000 2.092 292 R HA -0.009 4.339 4.340 0.013 0.000 0.231 292 R C 0.631 176.935 176.300 0.007 0.000 1.119 292 R CA 0.442 56.523 56.100 -0.033 0.000 0.970 292 R CB -0.720 29.556 30.300 -0.040 0.000 0.864 292 R HN 0.128 nan 8.270 nan 0.000 0.440 296 L N 0.641 121.810 121.223 -0.091 0.000 2.131 296 L HA -0.151 4.197 4.340 0.013 0.000 0.210 296 L C 2.614 179.497 176.870 0.023 0.000 1.092 296 L CA 1.644 56.441 54.840 -0.072 0.000 0.759 296 L CB -0.197 41.767 42.059 -0.158 0.000 0.903 296 L HN 0.557 nan 8.230 nan 0.000 0.435 297 Q N 0.307 120.115 119.800 0.012 0.000 2.224 297 Q HA -0.163 4.184 4.340 0.013 0.000 0.203 297 Q C 1.831 177.900 176.000 0.116 0.000 0.970 297 Q CA 1.173 56.982 55.803 0.009 0.000 0.865 297 Q CB 0.090 28.717 28.738 -0.184 0.000 0.922 297 Q HN 0.355 nan 8.270 nan 0.000 0.445 298 L N 0.815 122.063 121.223 0.041 0.000 2.599 298 L HA 0.110 4.458 4.340 0.013 0.000 0.230 298 L C 0.930 177.783 176.870 -0.028 0.000 1.141 298 L CA 0.422 55.296 54.840 0.056 0.000 0.877 298 L CB -0.962 41.113 42.059 0.026 0.000 1.009 298 L HN -0.052 nan 8.230 nan 0.000 0.447 299 S N 0.864 116.571 115.700 0.012 0.000 2.575 299 S HA -0.060 4.418 4.470 0.013 0.000 0.295 299 S C 0.705 175.386 174.600 0.135 0.000 1.267 299 S CA 0.017 58.206 58.200 -0.020 0.000 1.074 299 S CB -0.295 62.925 63.200 0.033 0.000 0.829 299 S HN 0.692 nan 8.310 nan 0.000 0.497 300 H N 2.566 121.748 119.070 0.187 0.000 2.825 300 H HA 0.403 4.967 4.556 0.013 0.000 0.226 300 H C -0.174 175.281 175.328 0.210 0.000 1.414 300 H CA -1.000 55.212 56.048 0.272 0.000 1.198 300 H CB -0.014 29.931 29.762 0.305 0.000 2.013 300 H HN 0.417 nan 8.280 nan 0.000 0.530 301 R N 1.745 122.417 120.500 0.286 0.000 2.389 301 R HA 0.382 4.730 4.340 0.013 0.000 0.295 301 R C -0.023 176.264 176.300 -0.021 0.000 1.075 301 R CA 0.058 56.183 56.100 0.043 0.000 1.005 301 R CB 0.655 30.957 30.300 0.003 0.000 0.987 301 R HN 0.551 nan 8.270 nan 0.000 0.452 302 A N 5.640 128.196 122.820 -0.440 0.000 3.037 302 A HA 0.246 4.574 4.320 0.013 0.000 0.272 302 A C 0.131 177.588 177.584 -0.212 0.000 1.723 302 A CA -0.617 51.159 52.037 -0.435 0.000 1.413 302 A CB -0.624 17.738 19.000 -1.062 0.000 1.112 302 A HN 0.582 nan 8.150 nan 0.000 0.606 306 D N 0.658 120.999 120.400 -0.098 0.000 2.219 306 D HA -0.084 4.563 4.640 0.013 0.000 0.205 306 D C 1.639 178.019 176.300 0.134 0.000 0.970 306 D CA 0.923 54.911 54.000 -0.019 0.000 0.851 306 D CB -0.040 40.749 40.800 -0.019 0.000 0.943 306 D HN 0.397 nan 8.370 nan 0.000 0.488 307 R N 0.076 120.694 120.500 0.197 0.000 2.246 307 R HA 0.050 4.398 4.340 0.013 0.000 0.199 307 R C 1.907 178.238 176.300 0.052 0.000 0.984 307 R CA 0.783 57.034 56.100 0.253 0.000 1.015 307 R CB -0.273 30.254 30.300 0.378 0.000 0.930 307 R HN 0.312 nan 8.270 nan 0.000 0.475 308 T N -2.895 111.713 114.554 0.090 0.000 3.028 308 T HA 0.217 4.575 4.350 0.013 0.000 0.250 308 T C 2.021 176.645 174.700 -0.127 0.000 0.979 308 T CA -0.322 61.756 62.100 -0.036 0.000 1.004 308 T CB -0.210 68.661 68.868 0.005 0.000 1.120 308 T HN -0.054 nan 8.240 nan 0.000 0.482 309 L N 1.365 122.534 121.223 -0.089 0.000 2.079 309 L HA 0.020 4.368 4.340 0.013 0.000 0.210 309 L C -0.598 176.215 176.870 -0.096 0.000 1.081 309 L CA 1.529 56.290 54.840 -0.131 0.000 0.752 309 L CB -1.567 40.423 42.059 -0.114 0.000 0.896 309 L HN 0.256 nan 8.230 nan 0.000 0.433 310 P HA -0.139 nan 4.420 nan 0.000 0.218 310 P C 0.778 178.072 177.300 -0.011 0.000 1.148 310 P CA 1.333 64.433 63.100 -0.000 0.000 0.822 310 P CB 0.078 31.827 31.700 0.082 0.000 0.784 311 D N -1.815 118.560 120.400 -0.041 0.000 2.262 311 D HA -0.019 4.628 4.640 0.013 0.000 0.212 311 D C 1.744 178.000 176.300 -0.073 0.000 0.964 311 D CA 0.432 54.410 54.000 -0.037 0.000 0.875 311 D CB -0.788 39.989 40.800 -0.038 0.000 0.996 311 D HN -0.005 nan 8.370 nan 0.000 0.497 312 L N 0.915 122.046 121.223 -0.154 0.000 2.005 312 L HA -0.038 4.309 4.340 0.013 0.000 0.207 312 L C 2.058 178.824 176.870 -0.174 0.000 1.072 312 L CA 1.365 56.069 54.840 -0.227 0.000 0.744 312 L CB -0.506 41.248 42.059 -0.509 0.000 0.895 312 L HN -0.030 nan 8.230 nan 0.000 0.433 313 I N -0.141 120.337 120.570 -0.153 0.000 2.118 313 I HA -0.273 3.905 4.170 0.013 0.000 0.241 313 I C -0.292 175.786 176.117 -0.066 0.000 1.070 313 I CA 1.650 62.886 61.300 -0.105 0.000 1.327 313 I CB -1.617 36.335 38.000 -0.081 0.000 1.034 313 I HN 0.282 nan 8.210 nan 0.000 0.405 314 P HA -0.152 nan 4.420 nan 0.000 0.216 314 P C 1.475 178.761 177.300 -0.023 0.000 1.153 314 P CA 1.793 64.877 63.100 -0.026 0.000 0.848 314 P CB -0.027 31.665 31.700 -0.013 0.000 0.787 315 A N -0.058 122.746 122.820 -0.027 0.000 1.933 315 A HA -0.097 4.230 4.320 0.013 0.000 0.218 315 A C 2.295 179.867 177.584 -0.019 0.000 1.175 315 A CA 2.031 54.060 52.037 -0.014 0.000 0.628 315 A CB -1.570 17.426 19.000 -0.007 0.000 0.814 315 A HN 0.195 nan 8.150 nan 0.000 0.444 316 A N -0.863 121.932 122.820 -0.042 0.000 1.929 316 A HA 0.072 4.400 4.320 0.013 0.000 0.216 316 A C 1.879 179.448 177.584 -0.025 0.000 1.176 316 A CA 1.400 53.413 52.037 -0.039 0.000 0.628 316 A CB -0.447 18.509 19.000 -0.074 0.000 0.816 316 A HN 0.375 nan 8.150 nan 0.000 0.444 317 L N 0.266 121.473 121.223 -0.027 0.000 2.265 317 L HA -0.133 4.214 4.340 0.013 0.000 0.215 317 L C 2.257 179.122 176.870 -0.009 0.000 1.117 317 L CA 1.546 56.375 54.840 -0.018 0.000 0.782 317 L CB -0.707 41.341 42.059 -0.018 0.000 0.914 317 L HN 0.702 nan 8.230 nan 0.000 0.441 318 I N -4.349 116.218 120.570 -0.006 0.000 3.226 318 I HA 0.044 4.222 4.170 0.013 0.000 0.277 318 I C 0.896 177.015 176.117 0.002 0.000 1.243 318 I CA -0.011 61.289 61.300 -0.000 0.000 1.459 318 I CB -0.288 37.714 38.000 0.003 0.000 1.093 318 I HN 0.032 nan 8.210 nan 0.000 0.453 319 D N 3.594 123.996 120.400 0.002 0.000 2.443 319 D HA 0.027 4.675 4.640 0.013 0.000 0.239 319 D C -1.365 174.937 176.300 0.004 0.000 1.136 319 D CA -1.169 52.834 54.000 0.006 0.000 0.879 319 D CB 1.584 42.388 40.800 0.007 0.000 1.195 319 D HN 0.119 nan 8.370 nan 0.000 0.443 320 P HA -0.056 nan 4.420 nan 0.000 0.227 320 P C 0.293 177.595 177.300 0.005 0.000 1.161 320 P CA 0.160 63.264 63.100 0.005 0.000 0.788 320 P CB 0.257 31.960 31.700 0.006 0.000 0.822 321 D N 2.310 122.714 120.400 0.006 0.000 2.368 321 D HA -0.006 4.641 4.640 0.013 0.000 0.268 321 D C -1.030 175.272 176.300 0.004 0.000 1.298 321 D CA -1.829 52.175 54.000 0.007 0.000 0.938 321 D CB 0.740 41.546 40.800 0.010 0.000 1.101 321 D HN 0.129 nan 8.370 nan 0.000 0.509 322 P HA -0.178 nan 4.420 nan 0.000 0.223 322 P C 1.009 178.310 177.300 0.001 0.000 1.144 322 P CA 0.782 63.882 63.100 0.001 0.000 0.783 322 P CB 0.581 32.281 31.700 0.001 0.000 0.771 323 E N 0.341 120.544 120.200 0.004 0.000 2.046 323 E HA -0.091 4.267 4.350 0.013 0.000 0.190 323 E C 1.997 178.600 176.600 0.004 0.000 0.982 323 E CA 0.856 57.260 56.400 0.005 0.000 0.800 323 E CB -1.086 28.620 29.700 0.009 0.000 0.756 323 E HN -0.063 nan 8.360 nan 0.000 0.449 324 V N 0.846 120.763 119.914 0.005 0.000 2.427 324 V HA -0.253 3.875 4.120 0.013 0.000 0.248 324 V C 2.312 178.400 176.094 -0.009 0.000 1.051 324 V CA 1.981 64.282 62.300 0.002 0.000 1.048 324 V CB -0.514 31.313 31.823 0.006 0.000 0.666 324 V HN 0.315 nan 8.190 nan 0.000 0.456 325 Q N -0.214 119.581 119.800 -0.008 0.000 2.084 325 Q HA -0.156 4.191 4.340 0.013 0.000 0.202 325 Q C 2.434 178.426 176.000 -0.014 0.000 0.978 325 Q CA 1.762 57.559 55.803 -0.012 0.000 0.844 325 Q CB -0.389 28.344 28.738 -0.007 0.000 0.898 325 Q HN 0.671 nan 8.270 nan 0.000 0.426 326 A N 0.842 123.656 122.820 -0.010 0.000 1.972 326 A HA -0.097 4.231 4.320 0.013 0.000 0.219 326 A C 2.221 179.796 177.584 -0.015 0.000 1.169 326 A CA 1.517 53.548 52.037 -0.011 0.000 0.635 326 A CB -0.613 18.383 19.000 -0.007 0.000 0.810 326 A HN 0.399 nan 8.150 nan 0.000 0.446 327 A N -0.269 122.542 122.820 -0.015 0.000 1.929 327 A HA 0.265 4.592 4.320 0.013 0.000 0.216 327 A C 2.446 180.012 177.584 -0.031 0.000 1.176 327 A CA 1.705 53.730 52.037 -0.019 0.000 0.628 327 A CB -0.824 18.170 19.000 -0.011 0.000 0.816 327 A HN 0.942 nan 8.150 nan 0.000 0.444 328 A N 0.071 122.869 122.820 -0.037 0.000 1.898 328 A HA -0.139 4.189 4.320 0.013 0.000 0.216 328 A C 2.243 179.808 177.584 -0.030 0.000 1.181 328 A CA 1.397 53.405 52.037 -0.048 0.000 0.620 328 A CB -0.438 18.532 19.000 -0.050 0.000 0.819 328 A HN 0.527 nan 8.150 nan 0.000 0.442 329 R N -1.157 119.330 120.500 -0.021 0.000 2.115 329 R HA -0.063 4.285 4.340 0.013 0.000 0.230 329 R C 2.091 178.387 176.300 -0.006 0.000 1.111 329 R CA 1.275 57.367 56.100 -0.013 0.000 0.976 329 R CB -0.533 29.760 30.300 -0.012 0.000 0.870 329 R HN 0.498 nan 8.270 nan 0.000 0.445 330 L N 1.136 122.352 121.223 -0.012 0.000 2.027 330 L HA -0.120 4.228 4.340 0.013 0.000 0.206 330 L C 1.980 178.854 176.870 0.007 0.000 1.074 330 L CA 1.621 56.452 54.840 -0.015 0.000 0.745 330 L CB -0.320 41.716 42.059 -0.038 0.000 0.898 330 L HN 0.095 nan 8.230 nan 0.000 0.433 331 L N -0.622 120.608 121.223 0.012 0.000 2.093 331 L HA -0.146 4.202 4.340 0.013 0.000 0.208 331 L C 2.638 179.572 176.870 0.108 0.000 1.085 331 L CA 1.080 55.967 54.840 0.079 0.000 0.755 331 L CB -0.845 41.241 42.059 0.046 0.000 0.904 331 L HN 0.385 nan 8.230 nan 0.000 0.435 332 A N -0.152 122.689 122.820 0.035 0.000 1.969 332 A HA -0.080 4.248 4.320 0.013 0.000 0.218 332 A C 2.444 180.041 177.584 0.022 0.000 1.169 332 A CA 1.526 53.569 52.037 0.010 0.000 0.635 332 A CB -0.507 18.486 19.000 -0.012 0.000 0.810 332 A HN 0.388 nan 8.150 nan 0.000 0.445 333 A N -1.698 121.149 122.820 0.045 0.000 2.067 333 A HA 0.106 4.433 4.320 0.013 0.000 0.217 333 A C 0.850 178.490 177.584 0.093 0.000 1.156 333 A CA 0.175 52.238 52.037 0.044 0.000 0.683 333 A CB -0.496 18.523 19.000 0.032 0.000 0.808 333 A HN 0.679 nan 8.150 nan 0.000 0.455 334 W N 2.986 124.222 121.300 -0.107 0.000 2.257 334 W HA 0.177 4.845 4.660 0.012 0.000 0.337 334 W C 0.281 176.705 176.519 -0.159 0.000 1.321 334 W CA -0.062 57.200 57.345 -0.139 0.000 1.267 334 W CB 0.511 29.868 29.460 -0.171 0.000 1.187 334 W HN 0.436 nan 8.180 nan 0.000 0.565 335 D N 3.934 124.192 120.400 -0.237 0.000 2.363 335 D HA -0.113 4.535 4.640 0.013 0.000 0.226 335 D C 0.578 176.361 176.300 -0.861 0.000 1.020 335 D CA 0.237 53.989 54.000 -0.413 0.000 0.892 335 D CB -0.268 40.404 40.800 -0.212 0.000 0.900 335 D HN 0.635 nan 8.370 nan 0.000 0.531 336 R N -0.614 118.721 120.500 -1.942 0.000 3.531 336 R HA -0.117 4.230 4.340 0.013 0.000 0.280 336 R C -0.807 174.598 176.300 -1.492 0.000 1.130 336 R CA 0.715 55.374 56.100 -2.401 0.000 0.757 336 R CB -1.928 27.591 30.300 -1.302 0.000 1.218 336 R HN 0.315 nan 8.270 nan 0.000 0.454 337 E N 0.134 119.718 120.200 -1.026 0.000 2.238 337 E HA 0.249 4.607 4.350 0.013 0.000 0.267 337 E C -0.402 175.965 176.600 -0.387 0.000 0.887 337 E CA -0.862 55.242 56.400 -0.492 0.000 0.769 337 E CB 0.694 30.280 29.700 -0.190 0.000 1.187 337 E HN -0.016 nan 8.360 nan 0.000 0.416 338 F N 1.700 121.413 119.950 -0.394 0.000 2.626 338 F HA 0.091 4.625 4.527 0.012 0.000 0.353 338 F C 1.084 176.395 175.800 -0.815 0.000 1.230 338 F CA -0.357 57.248 58.000 -0.658 0.000 1.298 338 F CB -0.302 38.402 39.000 -0.494 0.000 1.670 338 F HN 0.082 nan 8.300 nan 0.000 0.633 339 T N -3.417 110.900 114.554 -0.394 0.000 2.934 339 T HA 0.244 4.601 4.350 0.013 0.000 0.283 339 T C 1.408 176.114 174.700 0.011 0.000 1.005 339 T CA -0.679 61.312 62.100 -0.180 0.000 1.041 339 T CB 1.648 70.484 68.868 -0.054 0.000 1.042 339 T HN 0.199 nan 8.240 nan 0.000 0.505 340 S N 1.268 117.031 115.700 0.105 0.000 2.383 340 S HA -0.141 4.336 4.470 0.013 0.000 0.229 340 S C 1.593 176.248 174.600 0.091 0.000 1.030 340 S CA 1.623 59.907 58.200 0.141 0.000 1.002 340 S CB -0.527 62.719 63.200 0.077 0.000 0.829 340 S HN 0.991 nan 8.310 nan 0.000 0.467 341 D N 0.869 121.300 120.400 0.051 0.000 2.340 341 D HA 0.098 4.746 4.640 0.013 0.000 0.220 341 D C 0.519 176.827 176.300 0.012 0.000 1.039 341 D CA 0.017 54.033 54.000 0.027 0.000 0.866 341 D CB -0.444 40.369 40.800 0.021 0.000 0.913 341 D HN 0.155 nan 8.370 nan 0.000 0.523 342 S N 0.188 115.894 115.700 0.010 0.000 2.515 342 S HA 0.074 4.551 4.470 0.013 0.000 0.285 342 S C 0.980 175.505 174.600 -0.125 0.000 1.265 342 S CA -0.410 57.754 58.200 -0.061 0.000 1.079 342 S CB 0.421 63.552 63.200 -0.114 0.000 0.877 342 S HN 0.202 nan 8.310 nan 0.000 0.493 343 R N 3.346 123.746 120.500 -0.168 0.000 2.312 343 R HA 0.199 4.547 4.340 0.013 0.000 0.205 343 R C 1.714 177.856 176.300 -0.263 0.000 0.904 343 R CA 0.720 56.723 56.100 -0.162 0.000 1.052 343 R CB 0.079 30.320 30.300 -0.099 0.000 1.014 343 R HN 0.673 nan 8.270 nan 0.000 0.503 344 A N 0.365 122.878 122.820 -0.512 0.000 2.140 344 A HA 0.291 4.619 4.320 0.013 0.000 0.209 344 A C 2.091 179.151 177.584 -0.874 0.000 1.181 344 A CA 0.591 52.231 52.037 -0.663 0.000 0.824 344 A CB 0.071 18.624 19.000 -0.745 0.000 0.879 344 A HN 0.237 nan 8.150 nan 0.000 0.480 345 A N 0.798 122.999 122.820 -1.033 0.000 1.884 345 A HA -0.184 4.144 4.320 0.013 0.000 0.219 345 A C 2.085 179.658 177.584 -0.019 0.000 1.197 345 A CA 1.786 53.452 52.037 -0.618 0.000 0.637 345 A CB -0.826 17.997 19.000 -0.295 0.000 0.827 345 A HN 0.477 nan 8.150 nan 0.000 0.450 346 L N -1.235 119.986 121.223 -0.003 0.000 2.042 346 L HA -0.203 4.145 4.340 0.013 0.000 0.210 346 L C 2.615 179.516 176.870 0.051 0.000 1.076 346 L CA 1.425 56.238 54.840 -0.045 0.000 0.749 346 L CB -0.662 41.145 42.059 -0.421 0.000 0.893 346 L HN 0.515 nan 8.230 nan 0.000 0.432 347 L N -0.477 120.752 121.223 0.009 0.000 2.046 347 L HA -0.244 4.104 4.340 0.013 0.000 0.208 347 L C 2.377 179.344 176.870 0.163 0.000 1.077 347 L CA 1.714 56.601 54.840 0.078 0.000 0.747 347 L CB -0.747 41.322 42.059 0.017 0.000 0.896 347 L HN 0.098 nan 8.230 nan 0.000 0.432 348 F N 0.781 120.744 119.950 0.022 0.000 2.126 348 F HA -0.204 4.330 4.527 0.012 0.000 0.299 348 F C 2.298 178.318 175.800 0.367 0.000 1.096 348 F CA 2.046 60.159 58.000 0.189 0.000 1.255 348 F CB -0.277 38.801 39.000 0.129 0.000 0.997 348 F HN 0.278 nan 8.300 nan 0.000 0.479 349 E N -0.263 120.111 120.200 0.289 0.000 2.077 349 E HA -0.218 4.140 4.350 0.013 0.000 0.193 349 E C 2.055 178.817 176.600 0.269 0.000 0.989 349 E CA 1.313 57.884 56.400 0.285 0.000 0.800 349 E CB -0.276 29.668 29.700 0.407 0.000 0.746 349 E HN 0.396 nan 8.360 nan 0.000 0.452 350 E N 0.178 120.515 120.200 0.229 0.000 2.110 350 E HA -0.193 4.164 4.350 0.013 0.000 0.193 350 E C 1.600 178.272 176.600 0.120 0.000 0.988 350 E CA 0.793 57.299 56.400 0.176 0.000 0.804 350 E CB -0.329 29.484 29.700 0.187 0.000 0.745 350 E HN 0.434 nan 8.360 nan 0.000 0.458 351 W N 1.508 122.775 121.300 -0.054 0.000 2.409 351 W HA -0.038 4.629 4.660 0.012 0.000 0.299 351 W C 2.350 178.822 176.519 -0.078 0.000 1.203 351 W CA 2.059 59.349 57.345 -0.091 0.000 1.298 351 W CB -0.417 28.944 29.460 -0.164 0.000 1.127 351 W HN 0.027 nan 8.180 nan 0.000 0.528 352 A N 0.982 123.674 122.820 -0.213 0.000 1.940 352 A HA -0.198 4.130 4.320 0.013 0.000 0.219 352 A C 2.021 179.585 177.584 -0.034 0.000 1.176 352 A CA 1.776 53.698 52.037 -0.193 0.000 0.631 352 A CB -0.791 18.219 19.000 0.017 0.000 0.814 352 A HN 0.406 nan 8.150 nan 0.000 0.446 353 R N -0.697 119.801 120.500 -0.003 0.000 2.127 353 R HA -0.095 4.252 4.340 0.013 0.000 0.238 353 R C 1.838 177.963 176.300 -0.293 0.000 1.134 353 R CA 1.509 57.428 56.100 -0.302 0.000 0.975 353 R CB -0.421 29.738 30.300 -0.235 0.000 0.865 353 R HN 0.548 nan 8.270 nan 0.000 0.447 354 L N -1.433 119.622 121.223 -0.280 0.000 2.168 354 L HA -0.016 4.332 4.340 0.013 0.000 0.203 354 L C 2.168 178.830 176.870 -0.347 0.000 1.078 354 L CA 0.404 55.077 54.840 -0.278 0.000 0.780 354 L CB -0.382 41.541 42.059 -0.226 0.000 0.939 354 L HN 0.054 nan 8.230 nan 0.000 0.451 355 F N 1.371 120.874 119.950 -0.744 0.000 2.134 355 F HA -0.121 4.413 4.527 0.012 0.000 0.299 355 F C 1.948 177.453 175.800 -0.493 0.000 1.097 355 F CA 1.428 58.945 58.000 -0.804 0.000 1.264 355 F CB 0.046 38.095 39.000 -1.584 0.000 1.001 355 F HN -0.035 nan 8.300 nan 0.000 0.479 356 A N -0.278 122.325 122.820 -0.361 0.000 2.538 356 A HA 0.598 4.925 4.320 0.013 0.000 0.269 356 A C 0.788 178.254 177.584 -0.198 0.000 1.231 356 A CA 0.369 52.249 52.037 -0.263 0.000 0.948 356 A CB -0.878 18.157 19.000 0.058 0.000 1.110 356 A HN 0.934 nan 8.150 nan 0.000 0.529 357 G N -0.890 107.750 108.800 -0.267 0.000 2.746 357 G HA2 -0.144 3.823 3.960 0.013 0.000 0.685 357 G HA3 -0.144 3.823 3.960 0.013 0.000 0.685 357 G C 0.239 174.883 174.900 -0.427 0.000 1.350 357 G CA -0.104 44.832 45.100 -0.274 0.000 0.837 357 G HN 0.065 nan 8.290 nan 0.000 0.564 358 Q N 0.311 119.875 119.800 -0.393 0.000 2.234 358 Q HA -0.116 4.231 4.340 0.013 0.000 0.206 358 Q C 2.193 177.763 176.000 -0.717 0.000 0.980 358 Q CA 2.057 57.553 55.803 -0.511 0.000 0.869 358 Q CB -0.207 28.350 28.738 -0.302 0.000 0.912 358 Q HN 0.840 nan 8.270 nan 0.000 0.436 359 N N -1.187 117.224 118.700 -0.481 0.000 2.235 359 N HA -0.048 4.700 4.740 0.013 0.000 0.209 359 N C -0.283 175.151 175.510 -0.127 0.000 1.122 359 N CA -0.194 52.667 53.050 -0.316 0.000 0.845 359 N CB -0.345 38.074 38.487 -0.113 0.000 1.004 359 N HN 0.024 nan 8.380 nan 0.000 0.499 360 F N -1.311 118.596 119.950 -0.072 0.000 3.048 360 F HA -0.297 4.237 4.527 0.012 0.000 0.287 360 F C 1.329 177.164 175.800 0.059 0.000 0.796 360 F CA 0.522 58.518 58.000 -0.006 0.000 1.111 360 F CB -1.924 37.095 39.000 0.032 0.000 1.320 360 F HN 0.350 nan 8.300 nan 0.000 0.430 361 A N -0.036 122.866 122.820 0.136 0.000 2.267 361 A HA 0.541 4.869 4.320 0.013 0.000 0.213 361 A C 1.700 179.344 177.584 0.099 0.000 1.192 361 A CA 0.460 52.572 52.037 0.126 0.000 0.851 361 A CB -0.480 18.564 19.000 0.074 0.000 0.881 361 A HN 0.555 nan 8.150 nan 0.000 0.494 362 G N -0.755 108.070 108.800 0.042 0.000 2.432 362 G HA2 0.346 4.313 3.960 0.013 0.000 0.239 362 G HA3 0.346 4.313 3.960 0.013 0.000 0.239 362 G C 0.401 175.349 174.900 0.080 0.000 1.291 362 G CA -0.163 44.931 45.100 -0.009 0.000 0.863 362 G HN 0.254 nan 8.290 nan 0.000 0.560 363 Q N 1.430 121.286 119.800 0.092 0.000 2.316 363 Q HA 0.120 4.467 4.340 0.013 0.000 0.235 363 Q C 2.536 178.631 176.000 0.159 0.000 0.863 363 Q CA 0.562 56.519 55.803 0.257 0.000 0.939 363 Q CB 0.470 29.329 28.738 0.203 0.000 1.108 363 Q HN 0.668 nan 8.270 nan 0.000 0.522 364 A N 0.974 123.782 122.820 -0.020 0.000 2.076 364 A HA -0.073 4.254 4.320 0.013 0.000 0.220 364 A C 2.063 179.558 177.584 -0.150 0.000 1.160 364 A CA 1.743 53.745 52.037 -0.058 0.000 0.653 364 A CB -0.705 18.245 19.000 -0.083 0.000 0.801 364 A HN 0.381 nan 8.150 nan 0.000 0.455 365 G N -1.713 106.817 108.800 -0.450 0.000 2.712 365 G HA2 0.257 4.225 3.960 0.013 0.000 0.212 365 G HA3 0.257 4.225 3.960 0.013 0.000 0.212 365 G C 0.327 175.075 174.900 -0.254 0.000 1.142 365 G CA -0.278 44.437 45.100 -0.642 0.000 0.789 365 G HN 0.321 nan 8.290 nan 0.000 0.535 366 F N 0.060 120.026 119.950 0.026 0.000 2.410 366 F HA 0.478 5.012 4.527 0.011 0.000 0.334 366 F C 1.503 177.396 175.800 0.154 0.000 1.134 366 F CA -0.111 58.016 58.000 0.212 0.000 1.227 366 F CB 1.515 40.634 39.000 0.198 0.000 1.194 366 F HN 0.037 nan 8.300 nan 0.000 0.571 367 A N 1.140 124.173 122.820 0.355 0.000 1.903 367 A HA 0.065 4.392 4.320 0.013 0.000 0.213 367 A C 0.858 178.586 177.584 0.240 0.000 1.185 367 A CA 0.877 53.058 52.037 0.240 0.000 0.628 367 A CB -0.462 18.654 19.000 0.193 0.000 0.830 367 A HN 0.621 nan 8.150 nan 0.000 0.446 368 T N 2.788 117.513 114.554 0.285 0.000 2.772 368 T HA 0.473 4.831 4.350 0.013 0.000 0.288 368 T C -2.745 172.077 174.700 0.204 0.000 0.994 368 T CA -1.233 61.006 62.100 0.231 0.000 0.951 368 T CB 1.820 70.847 68.868 0.264 0.000 0.933 368 T HN 0.222 nan 8.240 nan 0.000 0.447 369 P HA 0.065 nan 4.420 nan 0.000 0.272 369 P C -0.316 177.065 177.300 0.136 0.000 1.240 369 P CA -0.658 62.540 63.100 0.164 0.000 0.791 369 P CB 0.921 32.713 31.700 0.152 0.000 0.978 370 W N 1.619 122.915 121.300 -0.007 0.000 2.158 370 W HA 0.305 4.972 4.660 0.013 0.000 0.339 370 W C -0.084 176.434 176.519 -0.002 0.000 1.294 370 W CA 1.100 58.430 57.345 -0.025 0.000 1.231 370 W CB 0.465 29.909 29.460 -0.025 0.000 1.143 370 W HN 0.319 nan 8.180 nan 0.000 0.571 371 S N 5.404 120.471 115.700 -1.055 0.000 2.572 371 S HA 0.189 4.666 4.470 0.013 0.000 0.274 371 S C -0.074 173.646 174.600 -1.467 0.000 1.150 371 S CA -0.834 56.803 58.200 -0.939 0.000 0.944 371 S CB 1.057 63.998 63.200 -0.431 0.000 1.071 371 S HN 0.619 nan 8.310 nan 0.000 0.479 372 L N 3.538 124.060 121.223 -1.167 0.000 2.353 372 L HA 0.106 4.454 4.340 0.013 0.000 0.220 372 L C 1.436 178.105 176.870 -0.335 0.000 1.133 372 L CA 1.953 56.359 54.840 -0.723 0.000 0.798 372 L CB -0.437 41.496 42.059 -0.210 0.000 0.922 372 L HN 0.742 nan 8.230 nan 0.000 0.445 373 D N -0.106 120.112 120.400 -0.303 0.000 2.312 373 D HA -0.063 4.584 4.640 0.013 0.000 0.211 373 D C 0.636 176.876 176.300 -0.100 0.000 0.964 373 D CA 0.876 54.797 54.000 -0.132 0.000 0.877 373 D CB 0.180 40.911 40.800 -0.115 0.000 0.924 373 D HN 0.375 nan 8.370 nan 0.000 0.515 374 K N 0.647 120.903 120.400 -0.240 0.000 3.146 374 K HA 0.141 4.468 4.320 0.013 0.000 0.168 374 K C -2.073 174.352 176.600 -0.292 0.000 1.075 374 K CA -0.944 55.232 56.287 -0.185 0.000 0.843 374 K CB 2.294 34.694 32.500 -0.166 0.000 1.002 374 K HN -0.104 nan 8.250 nan 0.000 0.597 375 P HA -0.139 nan 4.420 nan 0.000 0.223 375 P C 0.857 178.201 177.300 0.072 0.000 1.144 375 P CA 1.170 64.208 63.100 -0.104 0.000 0.783 375 P CB 0.137 31.833 31.700 -0.006 0.000 0.771 376 V N -3.765 116.100 119.914 -0.081 0.000 3.159 376 V HA 0.363 4.490 4.120 0.013 0.000 0.333 376 V C 1.063 177.151 176.094 -0.011 0.000 1.424 376 V CA 0.557 62.836 62.300 -0.034 0.000 1.125 376 V CB -0.458 31.261 31.823 -0.174 0.000 1.075 376 V HN 0.177 nan 8.190 nan 0.000 0.482 377 S N -0.723 114.971 115.700 -0.009 0.000 2.893 377 S HA 0.338 4.816 4.470 0.013 0.000 0.258 377 S C 0.533 175.160 174.600 0.044 0.000 1.034 377 S CA 0.429 58.632 58.200 0.004 0.000 1.167 377 S CB 0.302 63.474 63.200 -0.047 0.000 1.137 377 S HN 0.921 nan 8.310 nan 0.000 0.650 378 T N 0.027 114.617 114.554 0.060 0.000 2.896 378 T HA 0.703 5.061 4.350 0.013 0.000 0.297 378 T C -3.431 171.408 174.700 0.232 0.000 1.108 378 T CA -2.094 60.054 62.100 0.081 0.000 1.004 378 T CB 2.019 70.849 68.868 -0.063 0.000 1.159 378 T HN -0.053 nan 8.240 nan 0.000 0.499 379 P HA 0.275 nan 4.420 nan 0.000 0.274 379 P C -1.426 175.823 177.300 -0.084 0.000 1.260 379 P CA -0.165 62.820 63.100 -0.191 0.000 0.793 379 P CB 0.393 31.637 31.700 -0.761 0.000 1.048 380 Y N -1.290 119.033 120.300 0.039 0.000 2.592 380 Y HA 0.461 5.018 4.550 0.011 0.000 0.334 380 Y C -0.189 175.953 175.900 0.404 0.000 1.136 380 Y CA 0.656 58.898 58.100 0.237 0.000 1.042 380 Y CB 1.383 39.919 38.460 0.126 0.000 1.325 380 Y HN 0.995 nan 8.280 nan 0.000 0.457 381 G N 1.354 109.533 108.800 -1.036 0.000 2.814 381 G HA2 -0.024 3.944 3.960 0.013 0.000 0.677 381 G HA3 -0.024 3.944 3.960 0.013 0.000 0.677 381 G C -2.018 172.902 174.900 0.033 0.000 1.429 381 G CA -0.548 44.210 45.100 -0.571 0.000 0.868 381 G HN 1.143 nan 8.290 nan 0.000 0.553 382 V N 2.150 122.085 119.914 0.035 0.000 2.347 382 V HA 0.423 4.551 4.120 0.013 0.000 0.280 382 V C 1.702 177.899 176.094 0.171 0.000 1.021 382 V CA 0.361 62.762 62.300 0.168 0.000 0.847 382 V CB 1.264 33.145 31.823 0.096 0.000 0.990 382 V HN 0.966 nan 8.190 nan 0.000 0.444 383 R N 2.825 123.446 120.500 0.203 0.000 2.081 383 R HA -0.082 4.265 4.340 0.013 0.000 0.235 383 R C 0.493 176.866 176.300 0.122 0.000 1.131 383 R CA 1.523 57.712 56.100 0.148 0.000 0.960 383 R CB 0.286 30.662 30.300 0.127 0.000 0.856 383 R HN 0.737 nan 8.270 nan 0.000 0.436 384 D N -0.727 119.756 120.400 0.138 0.000 2.434 384 D HA 0.201 4.849 4.640 0.013 0.000 0.275 384 D C -2.093 174.286 176.300 0.133 0.000 1.172 384 D CA -2.353 51.715 54.000 0.113 0.000 0.916 384 D CB 1.647 42.502 40.800 0.091 0.000 1.041 384 D HN -0.041 nan 8.370 nan 0.000 0.501 385 P HA -0.167 nan 4.420 nan 0.000 0.215 385 P C 1.396 178.751 177.300 0.091 0.000 1.157 385 P CA 1.187 64.343 63.100 0.093 0.000 0.874 385 P CB 0.466 32.200 31.700 0.057 0.000 0.790 386 K N -0.432 120.013 120.400 0.075 0.000 2.032 386 K HA -0.171 4.157 4.320 0.013 0.000 0.209 386 K C 2.011 178.662 176.600 0.084 0.000 1.048 386 K CA 1.706 58.032 56.287 0.066 0.000 0.927 386 K CB -0.651 31.880 32.500 0.051 0.000 0.712 386 K HN -0.020 nan 8.250 nan 0.000 0.441 387 A N 0.736 123.612 122.820 0.094 0.000 1.930 387 A HA -0.060 4.268 4.320 0.013 0.000 0.217 387 A C 2.253 179.930 177.584 0.155 0.000 1.175 387 A CA 1.696 53.792 52.037 0.099 0.000 0.627 387 A CB -0.644 18.404 19.000 0.081 0.000 0.815 387 A HN 0.470 nan 8.150 nan 0.000 0.443 388 A N -0.570 122.382 122.820 0.219 0.000 1.972 388 A HA 0.023 4.351 4.320 0.013 0.000 0.219 388 A C 2.149 179.949 177.584 0.360 0.000 1.169 388 A CA 1.686 53.954 52.037 0.385 0.000 0.635 388 A CB -0.729 18.524 19.000 0.421 0.000 0.810 388 A HN 0.369 nan 8.150 nan 0.000 0.446 389 V N 0.371 120.393 119.914 0.181 0.000 2.548 389 V HA -0.186 3.942 4.120 0.013 0.000 0.249 389 V C 2.018 178.187 176.094 0.125 0.000 1.055 389 V CA 2.068 64.435 62.300 0.111 0.000 1.065 389 V CB -0.642 31.212 31.823 0.052 0.000 0.681 389 V HN 0.480 nan 8.190 nan 0.000 0.462 390 D N -0.258 120.215 120.400 0.121 0.000 2.144 390 D HA -0.153 4.495 4.640 0.013 0.000 0.200 390 D C 2.330 178.703 176.300 0.120 0.000 0.978 390 D CA 1.072 55.130 54.000 0.096 0.000 0.833 390 D CB -0.115 40.727 40.800 0.070 0.000 0.961 390 D HN 0.508 nan 8.370 nan 0.000 0.470 391 Q N -0.065 119.837 119.800 0.170 0.000 2.124 391 Q HA -0.134 4.213 4.340 0.013 0.000 0.202 391 Q C 2.172 178.341 176.000 0.282 0.000 0.977 391 Q CA 0.610 56.511 55.803 0.164 0.000 0.850 391 Q CB -0.054 28.748 28.738 0.108 0.000 0.901 391 Q HN 0.177 nan 8.270 nan 0.000 0.429 392 L N 0.787 122.251 121.223 0.402 0.000 2.093 392 L HA -0.144 4.203 4.340 0.013 0.000 0.208 392 L C 2.305 179.275 176.870 0.166 0.000 1.085 392 L CA 1.655 56.697 54.840 0.336 0.000 0.755 392 L CB -0.371 41.748 42.059 0.100 0.000 0.904 392 L HN 0.035 nan 8.230 nan 0.000 0.435 393 R N -1.125 119.446 120.500 0.118 0.000 2.083 393 R HA -0.175 4.173 4.340 0.013 0.000 0.237 393 R C 2.001 178.344 176.300 0.071 0.000 1.137 393 R CA 2.220 58.365 56.100 0.074 0.000 0.951 393 R CB -0.470 29.865 30.300 0.058 0.000 0.851 393 R HN 0.423 nan 8.270 nan 0.000 0.434 394 T N 0.396 114.995 114.554 0.076 0.000 2.821 394 T HA -0.069 4.288 4.350 0.013 0.000 0.267 394 T C 1.751 176.490 174.700 0.064 0.000 1.046 394 T CA 1.164 63.296 62.100 0.054 0.000 1.139 394 T CB -0.187 68.704 68.868 0.038 0.000 0.871 394 T HN 0.435 nan 8.240 nan 0.000 0.454 395 A N 1.188 124.071 122.820 0.106 0.000 1.930 395 A HA 0.016 4.344 4.320 0.013 0.000 0.217 395 A C 2.255 179.903 177.584 0.108 0.000 1.175 395 A CA 1.017 53.127 52.037 0.123 0.000 0.627 395 A CB -0.737 18.392 19.000 0.216 0.000 0.815 395 A HN 0.514 nan 8.150 nan 0.000 0.443 396 I N -0.212 120.414 120.570 0.094 0.000 2.208 396 I HA -0.312 3.865 4.170 0.013 0.000 0.245 396 I C 2.975 179.127 176.117 0.058 0.000 1.097 396 I CA 1.117 62.459 61.300 0.070 0.000 1.363 396 I CB -0.330 37.701 38.000 0.052 0.000 1.051 396 I HN 0.370 nan 8.210 nan 0.000 0.413 397 A N 1.038 123.886 122.820 0.047 0.000 1.877 397 A HA -0.210 4.118 4.320 0.013 0.000 0.216 397 A C 2.045 179.645 177.584 0.026 0.000 1.186 397 A CA 1.952 54.007 52.037 0.030 0.000 0.620 397 A CB -0.672 18.341 19.000 0.021 0.000 0.822 397 A HN 0.413 nan 8.150 nan 0.000 0.443 398 N N -0.139 118.581 118.700 0.033 0.000 2.166 398 N HA -0.096 4.651 4.740 0.013 0.000 0.186 398 N C 1.672 177.207 175.510 0.041 0.000 1.019 398 N CA 1.854 54.916 53.050 0.021 0.000 0.856 398 N CB -0.870 37.633 38.487 0.027 0.000 0.993 398 N HN 0.506 nan 8.380 nan 0.000 0.426 399 T N 1.327 115.942 114.554 0.102 0.000 2.777 399 T HA -0.036 4.321 4.350 0.013 0.000 0.266 399 T C 1.845 176.632 174.700 0.145 0.000 1.040 399 T CA 1.041 63.258 62.100 0.195 0.000 1.141 399 T CB 0.025 69.001 68.868 0.180 0.000 0.868 399 T HN 0.296 nan 8.240 nan 0.000 0.444 400 K N 0.694 121.137 120.400 0.073 0.000 2.057 400 K HA 0.005 4.333 4.320 0.013 0.000 0.206 400 K C 2.583 179.182 176.600 -0.002 0.000 1.050 400 K CA 0.797 57.109 56.287 0.042 0.000 0.935 400 K CB -0.113 32.403 32.500 0.027 0.000 0.715 400 K HN 0.136 nan 8.250 nan 0.000 0.439 401 R N 1.676 122.160 120.500 -0.026 0.000 2.073 401 R HA -0.143 4.205 4.340 0.013 0.000 0.234 401 R C 1.901 178.121 176.300 -0.135 0.000 1.134 401 R CA 1.699 57.762 56.100 -0.063 0.000 0.952 401 R CB 0.077 30.343 30.300 -0.058 0.000 0.850 401 R HN 0.091 nan 8.270 nan 0.000 0.433 402 K N -1.005 119.255 120.400 -0.233 0.000 2.031 402 K HA -0.122 4.206 4.320 0.013 0.000 0.205 402 K C 1.517 177.725 176.600 -0.653 0.000 1.049 402 K CA 1.452 57.422 56.287 -0.529 0.000 0.939 402 K CB 0.037 32.018 32.500 -0.865 0.000 0.717 402 K HN 0.271 nan 8.250 nan 0.000 0.438 403 Y N -1.095 119.191 120.300 -0.024 0.000 2.467 403 Y HA 0.256 4.813 4.550 0.012 0.000 0.250 403 Y C 1.353 177.234 175.900 -0.033 0.000 1.155 403 Y CA 0.106 58.184 58.100 -0.038 0.000 1.249 403 Y CB 1.020 39.452 38.460 -0.047 0.000 1.146 403 Y HN 0.262 nan 8.280 nan 0.000 0.524 404 G N 0.138 108.971 108.800 0.056 0.000 2.199 404 G HA2 -0.052 3.916 3.960 0.013 0.000 0.254 404 G HA3 -0.052 3.916 3.960 0.013 0.000 0.254 404 G C 0.233 175.158 174.900 0.042 0.000 0.982 404 G CA 0.112 45.233 45.100 0.034 0.000 0.632 404 G HN 0.844 nan 8.290 nan 0.000 0.529 405 A N -1.145 121.717 122.820 0.069 0.000 2.586 405 A HA 0.731 5.059 4.320 0.013 0.000 0.290 405 A C 0.722 178.341 177.584 0.058 0.000 1.086 405 A CA -0.033 52.031 52.037 0.046 0.000 0.665 405 A CB -0.009 19.006 19.000 0.025 0.000 1.279 405 A HN 1.311 nan 8.150 nan 0.000 0.423 406 I N -2.248 118.340 120.570 0.031 0.000 3.728 406 I HA 0.238 4.416 4.170 0.013 0.000 0.307 406 I C 0.324 176.433 176.117 -0.014 0.000 1.276 406 I CA 0.896 62.211 61.300 0.024 0.000 1.285 406 I CB 0.001 38.010 38.000 0.015 0.000 1.038 406 I HN 0.443 nan 8.210 nan 0.000 0.445 407 D N 1.520 121.906 120.400 -0.023 0.000 2.895 407 D HA 0.115 4.763 4.640 0.013 0.000 0.350 407 D C 0.241 176.507 176.300 -0.057 0.000 1.389 407 D CA -0.397 53.571 54.000 -0.054 0.000 0.812 407 D CB -0.101 40.671 40.800 -0.047 0.000 1.164 407 D HN 0.288 nan 8.370 nan 0.000 0.455 408 R N 1.209 121.674 120.500 -0.059 0.000 2.389 408 R HA 0.336 4.683 4.340 0.013 0.000 0.295 408 R C -2.394 173.844 176.300 -0.103 0.000 1.075 408 R CA -1.233 54.827 56.100 -0.066 0.000 1.005 408 R CB 0.445 30.717 30.300 -0.047 0.000 0.987 408 R HN -0.124 nan 8.270 nan 0.000 0.452 409 P HA -0.085 nan 4.420 nan 0.000 0.261 409 P C -0.185 177.063 177.300 -0.086 0.000 1.183 409 P CA 0.207 63.270 63.100 -0.061 0.000 0.761 409 P CB 0.231 31.903 31.700 -0.045 0.000 0.785 410 F N 4.271 124.086 119.950 -0.226 0.000 2.087 410 F HA -0.203 4.331 4.527 0.013 0.000 0.299 410 F C 2.104 177.710 175.800 -0.325 0.000 1.100 410 F CA 2.587 60.412 58.000 -0.291 0.000 1.226 410 F CB -0.716 38.168 39.000 -0.193 0.000 0.983 410 F HN 0.390 nan 8.300 nan 0.000 0.479 411 G N -1.158 107.600 108.800 -0.071 0.000 2.744 411 G HA2 -0.182 3.786 3.960 0.013 0.000 0.211 411 G HA3 -0.182 3.786 3.960 0.013 0.000 0.211 411 G C 1.357 176.138 174.900 -0.198 0.000 1.143 411 G CA 0.685 45.686 45.100 -0.165 0.000 0.788 411 G HN 0.488 nan 8.290 nan 0.000 0.534 412 D N 0.296 120.586 120.400 -0.184 0.000 2.301 412 D HA 0.131 4.778 4.640 0.013 0.000 0.206 412 D C 2.384 178.575 176.300 -0.181 0.000 0.979 412 D CA 0.765 54.680 54.000 -0.142 0.000 0.874 412 D CB 0.328 41.073 40.800 -0.092 0.000 0.968 412 D HN 0.243 nan 8.370 nan 0.000 0.510 413 A N 0.173 122.822 122.820 -0.286 0.000 1.924 413 A HA 0.152 4.480 4.320 0.013 0.000 0.211 413 A C 1.241 178.555 177.584 -0.449 0.000 1.198 413 A CA 0.142 52.013 52.037 -0.278 0.000 0.657 413 A CB 0.110 18.924 19.000 -0.310 0.000 0.852 413 A HN 0.108 nan 8.150 nan 0.000 0.454 414 S N 1.809 117.016 115.700 -0.821 0.000 2.405 414 S HA 0.503 4.980 4.470 0.013 0.000 0.291 414 S C 0.101 174.261 174.600 -0.733 0.000 1.137 414 S CA -0.415 56.992 58.200 -1.322 0.000 1.061 414 S CB 0.285 62.020 63.200 -2.441 0.000 1.001 414 S HN 0.398 nan 8.310 nan 0.000 0.507 418 L N 6.832 128.108 121.223 0.090 0.000 2.404 418 L HA 0.628 4.976 4.340 0.013 0.000 0.272 418 L C 0.415 177.351 176.870 0.109 0.000 0.980 418 L CA 0.016 54.898 54.840 0.070 0.000 0.836 418 L CB 1.121 43.084 42.059 -0.161 0.000 1.238 418 L HN 0.716 nan 8.230 nan 0.000 0.408 419 N N 1.705 120.523 118.700 0.196 0.000 1.241 419 N HA -0.287 4.461 4.740 0.013 0.000 0.135 419 N C 0.323 175.888 175.510 0.091 0.000 0.723 419 N CA 1.865 55.006 53.050 0.152 0.000 0.950 419 N CB -0.402 38.182 38.487 0.163 0.000 1.215 419 N HN 0.669 nan 8.380 nan 0.000 0.520 420 D N 0.980 121.421 120.400 0.067 0.000 2.339 420 D HA 0.166 4.813 4.640 0.013 0.000 0.217 420 D C -0.149 176.173 176.300 0.038 0.000 1.050 420 D CA 0.239 54.267 54.000 0.046 0.000 0.856 420 D CB 0.285 41.106 40.800 0.036 0.000 0.922 420 D HN 0.098 nan 8.370 nan 0.000 0.518 421 V N 2.043 121.980 119.914 0.038 0.000 2.432 421 V HA 0.211 4.338 4.120 0.013 0.000 0.275 421 V C 0.331 176.445 176.094 0.033 0.000 1.043 421 V CA -0.557 61.759 62.300 0.026 0.000 0.925 421 V CB 1.428 33.258 31.823 0.012 0.000 0.985 421 V HN 0.028 nan 8.190 nan 0.000 0.466 422 N N 4.327 123.043 118.700 0.027 0.000 2.519 422 N HA 0.534 5.281 4.740 0.013 0.000 0.286 422 N C -1.119 174.401 175.510 0.016 0.000 1.079 422 N CA -0.218 52.849 53.050 0.028 0.000 0.878 422 N CB 2.089 40.590 38.487 0.023 0.000 1.375 422 N HN 0.539 nan 8.380 nan 0.000 0.514 423 V N 1.447 121.372 119.914 0.019 0.000 3.040 423 V HA 0.794 4.921 4.120 0.013 0.000 0.312 423 V C -2.496 173.595 176.094 -0.004 0.000 1.115 423 V CA -2.091 60.213 62.300 0.007 0.000 0.998 423 V CB 1.862 33.689 31.823 0.007 0.000 1.042 423 V HN 0.438 nan 8.190 nan 0.000 0.433 424 P HA 0.283 nan 4.420 nan 0.000 0.268 424 P C 0.123 177.406 177.300 -0.029 0.000 1.205 424 P CA 0.624 63.701 63.100 -0.038 0.000 0.771 424 P CB 1.078 32.765 31.700 -0.021 0.000 0.858 425 G N 1.112 109.867 108.800 -0.074 0.000 2.488 425 G HA2 0.658 4.625 3.960 0.013 0.000 0.318 425 G HA3 0.658 4.625 3.960 0.013 0.000 0.318 425 G C -1.201 173.760 174.900 0.102 0.000 1.188 425 G CA -0.505 44.598 45.100 0.005 0.000 0.944 425 G HN 0.738 nan 8.290 nan 0.000 0.495 426 A N -1.048 121.908 122.820 0.226 0.000 2.612 426 A HA 1.017 5.344 4.320 0.013 0.000 0.293 426 A C 0.160 178.033 177.584 0.482 0.000 1.075 426 A CA 0.443 52.701 52.037 0.367 0.000 0.680 426 A CB 0.894 20.041 19.000 0.245 0.000 1.279 426 A HN 2.834 nan 8.150 nan 0.000 0.411 427 A N -1.192 121.917 122.820 0.482 0.000 6.325 427 A HA 0.474 4.802 4.320 0.013 0.000 0.352 427 A C 1.109 179.022 177.584 0.547 0.000 1.933 427 A CA 1.206 53.570 52.037 0.545 0.000 0.613 427 A CB -1.893 17.507 19.000 0.667 0.000 1.856 427 A HN 3.176 nan 8.150 nan 0.000 0.410 428 G N -2.368 106.572 108.800 0.234 0.000 2.619 428 G HA2 0.607 4.574 3.960 0.013 0.000 0.146 428 G HA3 0.607 4.574 3.960 0.013 0.000 0.146 428 G C -0.776 173.977 174.900 -0.246 0.000 1.192 428 G CA 0.085 45.176 45.100 -0.014 0.000 1.063 428 G HN 1.563 nan 8.290 nan 0.000 0.538 429 Y N 2.075 122.294 120.300 -0.134 0.000 2.544 429 Y HA 0.339 4.897 4.550 0.013 0.000 0.330 429 Y C 1.824 177.707 175.900 -0.029 0.000 1.136 429 Y CA 0.906 58.958 58.100 -0.079 0.000 1.417 429 Y CB 1.160 39.543 38.460 -0.129 0.000 1.229 429 Y HN 0.556 nan 8.280 nan 0.000 0.532 430 G N 2.493 111.384 108.800 0.153 0.000 2.422 430 G HA2 -0.275 3.693 3.960 0.013 0.000 0.218 430 G HA3 -0.275 3.693 3.960 0.013 0.000 0.218 430 G C 1.404 176.421 174.900 0.194 0.000 1.146 430 G CA 0.609 45.794 45.100 0.141 0.000 0.769 430 G HN 0.558 nan 8.290 nan 0.000 0.547 431 N N 0.184 119.017 118.700 0.223 0.000 2.573 431 N HA 0.050 4.798 4.740 0.013 0.000 0.187 431 N C 1.809 177.461 175.510 0.236 0.000 1.107 431 N CA 0.313 53.506 53.050 0.238 0.000 0.918 431 N CB 0.010 38.681 38.487 0.306 0.000 0.966 431 N HN 0.314 nan 8.380 nan 0.000 0.448 432 L N -1.549 119.789 121.223 0.192 0.000 2.585 432 L HA 0.235 4.583 4.340 0.013 0.000 0.226 432 L C 1.319 178.416 176.870 0.379 0.000 1.113 432 L CA 0.332 55.340 54.840 0.280 0.000 0.876 432 L CB 0.169 42.391 42.059 0.272 0.000 1.072 432 L HN 0.224 nan 8.230 nan 0.000 0.468 433 G N -0.845 108.145 108.800 0.317 0.000 2.284 433 G HA2 -0.244 3.724 3.960 0.013 0.000 0.201 433 G HA3 -0.244 3.724 3.960 0.013 0.000 0.201 433 G C 0.431 175.521 174.900 0.317 0.000 0.998 433 G CA 0.105 45.380 45.100 0.292 0.000 0.651 433 G HN 0.186 nan 8.290 nan 0.000 0.489 434 S N 0.307 116.231 115.700 0.374 0.000 2.515 434 S HA 0.416 4.893 4.470 0.013 0.000 0.285 434 S C 1.133 175.889 174.600 0.260 0.000 1.265 434 S CA 0.310 58.728 58.200 0.364 0.000 1.079 434 S CB 0.154 63.547 63.200 0.322 0.000 0.877 434 S HN 0.618 nan 8.310 nan 0.000 0.493 435 F N 5.503 125.532 119.950 0.131 0.000 2.118 435 F HA 0.212 4.746 4.527 0.012 0.000 0.293 435 F C 1.471 177.275 175.800 0.008 0.000 1.102 435 F CA 0.918 58.951 58.000 0.054 0.000 1.247 435 F CB -0.054 38.961 39.000 0.025 0.000 1.017 435 F HN 0.529 nan 8.300 nan 0.000 0.475 436 R N 1.428 121.967 120.500 0.064 0.000 2.401 436 R HA 0.348 4.696 4.340 0.013 0.000 0.299 436 R C -1.399 174.782 176.300 -0.200 0.000 1.064 436 R CA -0.146 55.902 56.100 -0.088 0.000 1.000 436 R CB 0.536 30.910 30.300 0.123 0.000 0.973 436 R HN 0.037 nan 8.270 nan 0.000 0.438 437 V N 6.030 125.599 119.914 -0.575 0.000 2.547 437 V HA 0.474 4.602 4.120 0.013 0.000 0.299 437 V C -0.799 174.628 176.094 -1.110 0.000 1.040 437 V CA -0.464 61.402 62.300 -0.723 0.000 0.913 437 V CB 1.550 32.816 31.823 -0.929 0.000 0.992 437 V HN 0.630 nan 8.190 nan 0.000 0.449 438 F N 1.178 120.770 119.950 -0.597 0.000 3.034 438 F HA 0.279 4.814 4.527 0.013 0.000 0.371 438 F C 0.500 175.586 175.800 -1.191 0.000 1.233 438 F CA -0.462 56.951 58.000 -0.978 0.000 1.134 438 F CB 1.689 39.944 39.000 -1.241 0.000 1.495 438 F HN 0.329 nan 8.300 nan 0.000 0.563 439 T N 2.196 116.346 114.554 -0.672 0.000 3.182 439 T HA 0.023 4.381 4.350 0.013 0.000 0.274 439 T C -0.079 174.331 174.700 -0.484 0.000 0.997 439 T CA -0.213 61.606 62.100 -0.468 0.000 1.082 439 T CB -0.544 68.295 68.868 -0.049 0.000 1.005 439 T HN 0.300 nan 8.240 nan 0.000 0.688 440 W N 2.971 123.993 121.300 -0.464 0.000 2.193 440 W HA 0.241 4.908 4.660 0.012 0.000 0.338 440 W C 1.294 177.824 176.519 0.018 0.000 1.310 440 W CA -0.764 56.444 57.345 -0.229 0.000 1.243 440 W CB 0.235 29.536 29.460 -0.265 0.000 1.165 440 W HN 0.535 nan 8.180 nan 0.000 0.566 441 S N 1.449 117.294 115.700 0.242 0.000 2.634 441 S HA 0.184 4.662 4.470 0.013 0.000 0.261 441 S C -0.129 174.590 174.600 0.197 0.000 1.271 441 S CA -1.027 57.276 58.200 0.173 0.000 0.985 441 S CB 0.751 64.012 63.200 0.102 0.000 0.968 441 S HN 0.398 nan 8.310 nan 0.000 0.568 442 D N 2.989 123.464 120.400 0.125 0.000 2.424 442 D HA 0.300 4.947 4.640 0.013 0.000 0.244 442 D C -1.806 174.525 176.300 0.051 0.000 1.134 442 D CA -0.902 53.147 54.000 0.081 0.000 0.881 442 D CB 0.407 41.225 40.800 0.030 0.000 1.191 442 D HN 0.436 nan 8.370 nan 0.000 0.445 443 P HA 0.004 nan 4.420 nan 0.000 0.270 443 P C -0.276 176.996 177.300 -0.047 0.000 1.223 443 P CA -0.348 62.734 63.100 -0.030 0.000 0.785 443 P CB 0.842 32.434 31.700 -0.179 0.000 0.923 444 D N 0.229 120.612 120.400 -0.029 0.000 2.496 444 D HA -0.013 4.635 4.640 0.013 0.000 0.283 444 D C 1.303 177.576 176.300 -0.046 0.000 1.214 444 D CA -0.315 53.670 54.000 -0.026 0.000 1.089 444 D CB -0.290 40.508 40.800 -0.005 0.000 1.141 444 D HN 0.427 nan 8.370 nan 0.000 0.580 445 E N -0.419 119.762 120.200 -0.033 0.000 2.333 445 E HA -0.197 4.161 4.350 0.013 0.000 0.198 445 E C 0.060 176.638 176.600 -0.037 0.000 1.007 445 E CA 0.836 57.214 56.400 -0.037 0.000 0.845 445 E CB -0.532 29.153 29.700 -0.024 0.000 0.766 445 E HN 0.363 nan 8.360 nan 0.000 0.507 446 N N 0.368 119.051 118.700 -0.029 0.000 2.214 446 N HA 0.132 4.880 4.740 0.013 0.000 0.214 446 N C 0.753 176.255 175.510 -0.013 0.000 1.132 446 N CA 0.638 53.676 53.050 -0.019 0.000 0.856 446 N CB 1.163 39.644 38.487 -0.010 0.000 1.020 446 N HN 0.383 nan 8.380 nan 0.000 0.509 447 G N 0.374 109.150 108.800 -0.039 0.000 2.155 447 G HA2 -0.269 3.699 3.960 0.013 0.000 0.257 447 G HA3 -0.269 3.699 3.960 0.013 0.000 0.257 447 G C -0.057 174.887 174.900 0.074 0.000 0.983 447 G CA 0.208 45.301 45.100 -0.012 0.000 0.676 447 G HN 0.206 nan 8.290 nan 0.000 0.528 448 V N 2.418 122.341 119.914 0.016 0.000 2.432 448 V HA 0.661 4.788 4.120 0.013 0.000 0.275 448 V C 0.822 176.925 176.094 0.015 0.000 1.043 448 V CA -0.136 62.164 62.300 -0.001 0.000 0.925 448 V CB 1.330 33.148 31.823 -0.008 0.000 0.985 448 V HN 0.667 nan 8.190 nan 0.000 0.466 449 R N 2.955 123.452 120.500 -0.005 0.000 2.803 449 R HA 0.863 5.210 4.340 0.013 0.000 0.276 449 R C -0.744 175.635 176.300 0.133 0.000 0.978 449 R CA -0.479 55.660 56.100 0.065 0.000 0.939 449 R CB 2.322 32.673 30.300 0.085 0.000 1.179 449 R HN 0.675 nan 8.270 nan 0.000 0.472 450 T N -1.718 112.978 114.554 0.236 0.000 2.865 450 T HA 0.541 4.899 4.350 0.013 0.000 0.294 450 T C -2.951 171.802 174.700 0.087 0.000 1.119 450 T CA -2.341 59.926 62.100 0.279 0.000 1.007 450 T CB 2.040 70.999 68.868 0.152 0.000 1.225 450 T HN 0.378 nan 8.240 nan 0.000 0.515 451 P HA 0.317 nan 4.420 nan 0.000 0.271 451 P C 0.437 177.287 177.300 -0.749 0.000 1.226 451 P CA -0.330 62.209 63.100 -0.935 0.000 0.765 451 P CB 0.914 31.547 31.700 -1.778 0.000 0.835 452 V N 2.375 121.996 119.914 -0.489 0.000 2.825 452 V HA 0.053 4.181 4.120 0.013 0.000 0.246 452 V C 0.813 176.793 176.094 -0.190 0.000 1.068 452 V CA 1.328 63.501 62.300 -0.212 0.000 1.088 452 V CB -0.616 31.170 31.823 -0.062 0.000 0.733 452 V HN 0.700 nan 8.190 nan 0.000 0.468 453 H N -1.533 117.216 119.070 -0.535 0.000 3.003 453 H HA 0.572 5.136 4.556 0.013 0.000 0.327 453 H C -0.303 174.733 175.328 -0.487 0.000 1.353 453 H CA 0.238 56.087 56.048 -0.332 0.000 1.142 453 H CB 1.577 31.275 29.762 -0.107 0.000 1.864 453 H HN 0.241 nan 8.280 nan 0.000 0.529 454 G N 1.586 109.869 108.800 -0.861 0.000 2.240 454 G HA2 -0.051 3.917 3.960 0.013 0.000 0.199 454 G HA3 -0.051 3.917 3.960 0.013 0.000 0.199 454 G C -1.211 173.407 174.900 -0.470 0.000 1.342 454 G CA -0.416 44.153 45.100 -0.885 0.000 1.145 454 G HN 0.575 nan 8.290 nan 0.000 0.477 455 E N 1.583 121.410 120.200 -0.622 0.000 2.558 455 E HA 0.302 4.659 4.350 0.013 0.000 0.255 455 E C 1.101 177.641 176.600 -0.100 0.000 0.968 455 E CA 1.155 57.348 56.400 -0.345 0.000 0.939 455 E CB 1.080 30.448 29.700 -0.555 0.000 0.921 455 E HN 0.847 nan 8.360 nan 0.000 0.477 456 T N -0.489 113.955 114.554 -0.184 0.000 3.212 456 T HA 0.077 4.435 4.350 0.013 0.000 0.157 456 T C 0.216 174.738 174.700 -0.297 0.000 0.908 456 T CA -0.656 61.230 62.100 -0.357 0.000 0.954 456 T CB 0.022 68.850 68.868 -0.068 0.000 1.709 456 T HN 0.587 nan 8.240 nan 0.000 0.335 457 W N 3.352 124.385 121.300 -0.445 0.000 2.335 457 W HA 0.597 5.264 4.660 0.013 0.000 0.306 457 W C -1.907 174.412 176.519 -0.333 0.000 1.216 457 W CA -0.738 56.356 57.345 -0.417 0.000 1.237 457 W CB 0.983 30.081 29.460 -0.604 0.000 1.243 457 W HN 0.272 nan 8.180 nan 0.000 0.493 458 V N 6.688 126.083 119.914 -0.865 0.000 2.483 458 V HA 0.755 4.882 4.120 0.013 0.000 0.297 458 V C 0.089 175.654 176.094 -0.881 0.000 1.027 458 V CA -0.607 61.286 62.300 -0.677 0.000 0.855 458 V CB 0.590 32.299 31.823 -0.190 0.000 0.995 458 V HN 0.701 nan 8.190 nan 0.000 0.424 462 E N 4.775 124.654 120.200 -0.536 0.000 2.145 462 E HA 0.467 4.825 4.350 0.013 0.000 0.270 462 E C -1.061 175.252 176.600 -0.477 0.000 0.906 462 E CA -0.623 55.543 56.400 -0.389 0.000 0.761 462 E CB 0.828 30.397 29.700 -0.219 0.000 1.116 462 E HN 0.467 nan 8.360 nan 0.000 0.408 463 F N 3.554 123.424 119.950 -0.134 0.000 2.705 463 F HA 0.075 4.609 4.527 0.013 0.000 0.355 463 F C 0.918 176.678 175.800 -0.067 0.000 1.172 463 F CA -0.226 57.717 58.000 -0.094 0.000 1.332 463 F CB -0.273 38.668 39.000 -0.098 0.000 1.621 463 F HN 0.243 nan 8.300 nan 0.000 0.605 464 S N -1.396 114.301 115.700 -0.005 0.000 2.646 464 S HA 0.540 5.017 4.470 0.013 0.000 0.273 464 S C 0.189 174.803 174.600 0.023 0.000 1.168 464 S CA -0.750 57.452 58.200 0.004 0.000 1.013 464 S CB 1.065 64.245 63.200 -0.032 0.000 1.098 464 S HN 0.145 nan 8.310 nan 0.000 0.544 465 T N 2.753 117.317 114.554 0.016 0.000 2.892 465 T HA 0.519 4.876 4.350 0.013 0.000 0.311 465 T C -2.110 172.597 174.700 0.011 0.000 1.033 465 T CA -0.821 61.293 62.100 0.024 0.000 0.991 465 T CB 0.821 69.707 68.868 0.030 0.000 0.981 465 T HN 0.670 nan 8.240 nan 0.000 0.457 466 P HA 0.416 nan 4.420 nan 0.000 0.275 466 P C 0.141 177.431 177.300 -0.017 0.000 1.266 466 P CA -0.615 62.490 63.100 0.009 0.000 0.793 466 P CB 0.526 32.228 31.700 0.004 0.000 1.074 467 V N -1.541 118.360 119.914 -0.022 0.000 3.051 467 V HA 0.375 4.503 4.120 0.013 0.000 0.306 467 V C 0.333 176.336 176.094 -0.153 0.000 1.083 467 V CA -0.496 61.738 62.300 -0.110 0.000 1.104 467 V CB 0.144 31.880 31.823 -0.145 0.000 1.027 467 V HN 0.703 nan 8.190 nan 0.000 0.483 468 R N 2.004 122.367 120.500 -0.229 0.000 2.532 468 R HA 0.763 5.110 4.340 0.013 0.000 0.297 468 R C -0.832 175.274 176.300 -0.323 0.000 0.984 468 R CA 0.032 55.996 56.100 -0.227 0.000 0.884 468 R CB 1.693 31.926 30.300 -0.112 0.000 1.182 468 R HN 1.268 nan 8.270 nan 0.000 0.442 469 A N 3.582 126.147 122.820 -0.425 0.000 2.539 469 A HA 0.690 5.018 4.320 0.013 0.000 0.296 469 A C -1.977 175.280 177.584 -0.544 0.000 1.073 469 A CA -0.542 51.227 52.037 -0.445 0.000 0.700 469 A CB 1.248 19.891 19.000 -0.596 0.000 1.296 469 A HN 0.653 nan 8.150 nan 0.000 0.405 470 Y N -0.301 119.880 120.300 -0.198 0.000 2.512 470 Y HA 0.723 5.281 4.550 0.013 0.000 0.348 470 Y C 0.717 176.559 175.900 -0.097 0.000 0.990 470 Y CA 0.126 58.165 58.100 -0.101 0.000 1.033 470 Y CB 2.933 41.324 38.460 -0.116 0.000 1.259 470 Y HN 1.158 nan 8.280 nan 0.000 0.461 471 G N 1.223 110.136 108.800 0.189 0.000 2.600 471 G HA2 0.714 4.682 3.960 0.013 0.000 0.293 471 G HA3 0.714 4.682 3.960 0.013 0.000 0.293 471 G C -2.484 172.461 174.900 0.075 0.000 1.408 471 G CA -0.610 44.495 45.100 0.008 0.000 0.782 471 G HN 0.410 nan 8.290 nan 0.000 0.482 475 Y N 2.703 122.673 120.300 -0.550 0.000 2.801 475 Y HA 0.651 5.208 4.550 0.013 0.000 0.340 475 Y C 0.914 176.667 175.900 -0.245 0.000 1.088 475 Y CA -0.936 56.858 58.100 -0.509 0.000 1.444 475 Y CB -0.934 37.252 38.460 -0.456 0.000 1.251 475 Y HN 0.503 nan 8.280 nan 0.000 0.522 476 G N 1.562 110.359 108.800 -0.005 0.000 2.806 476 G HA2 -0.390 3.577 3.960 0.013 0.000 0.236 476 G HA3 -0.390 3.577 3.960 0.013 0.000 0.236 476 G C 0.079 175.129 174.900 0.250 0.000 1.387 476 G CA 0.185 45.360 45.100 0.126 0.000 0.884 476 G HN 0.513 nan 8.290 nan 0.000 0.560 477 N N -0.545 118.296 118.700 0.236 0.000 2.230 477 N HA 0.396 5.144 4.740 0.013 0.000 0.202 477 N C 0.160 175.887 175.510 0.362 0.000 1.119 477 N CA 1.093 54.301 53.050 0.263 0.000 0.851 477 N CB 0.402 38.944 38.487 0.090 0.000 0.990 477 N HN 0.812 nan 8.380 nan 0.000 0.497 478 S N -0.921 114.970 115.700 0.318 0.000 2.541 478 S HA 0.478 4.956 4.470 0.013 0.000 0.271 478 S C -0.326 174.388 174.600 0.190 0.000 1.133 478 S CA -0.670 57.668 58.200 0.230 0.000 0.876 478 S CB 1.310 64.649 63.200 0.233 0.000 1.105 478 S HN 0.216 nan 8.310 nan 0.000 0.470 479 R N 1.363 121.886 120.500 0.037 0.000 2.566 479 R HA 0.247 4.594 4.340 0.013 0.000 0.388 479 R C -0.343 175.866 176.300 -0.152 0.000 0.989 479 R CA -0.273 55.759 56.100 -0.113 0.000 1.164 479 R CB 0.285 30.500 30.300 -0.143 0.000 1.459 479 R HN 0.573 nan 8.270 nan 0.000 0.553 480 Q N 1.410 121.163 119.800 -0.079 0.000 2.392 480 Q HA 0.161 4.508 4.340 0.013 0.000 0.262 480 Q C -2.305 173.642 176.000 -0.087 0.000 1.003 480 Q CA -1.688 54.068 55.803 -0.078 0.000 0.888 480 Q CB 0.659 29.371 28.738 -0.043 0.000 1.260 480 Q HN 0.054 nan 8.270 nan 0.000 0.435 481 P HA -0.036 nan 4.420 nan 0.000 0.262 481 P C 0.508 177.776 177.300 -0.054 0.000 1.182 481 P CA 1.116 64.168 63.100 -0.079 0.000 0.761 481 P CB 0.291 31.953 31.700 -0.064 0.000 0.795 482 G N 1.597 110.367 108.800 -0.051 0.000 2.189 482 G HA2 -0.276 3.691 3.960 0.013 0.000 0.267 482 G HA3 -0.276 3.691 3.960 0.013 0.000 0.267 482 G C 0.601 175.486 174.900 -0.025 0.000 0.975 482 G CA 0.429 45.511 45.100 -0.030 0.000 0.644 482 G HN 0.764 nan 8.290 nan 0.000 0.537 483 T N 0.440 114.982 114.554 -0.021 0.000 2.900 483 T HA 0.431 4.789 4.350 0.013 0.000 0.307 483 T C 1.983 176.658 174.700 -0.042 0.000 1.065 483 T CA 1.418 63.510 62.100 -0.013 0.000 1.105 483 T CB 0.584 69.479 68.868 0.045 0.000 0.979 483 T HN 0.852 nan 8.240 nan 0.000 0.544 484 T N 0.637 115.076 114.554 -0.192 0.000 3.107 484 T HA 0.130 4.487 4.350 0.013 0.000 0.249 484 T C 0.692 175.183 174.700 -0.348 0.000 1.096 484 T CA 0.167 62.099 62.100 -0.279 0.000 1.012 484 T CB -0.120 68.518 68.868 -0.382 0.000 0.977 484 T HN 0.705 nan 8.240 nan 0.000 0.527 485 H N -0.022 119.118 119.070 0.116 0.000 2.490 485 H HA 0.324 4.888 4.556 0.013 0.000 0.285 485 H C -0.020 175.422 175.328 0.189 0.000 1.127 485 H CA -0.703 55.420 56.048 0.125 0.000 0.993 485 H CB 0.067 29.897 29.762 0.113 0.000 1.653 485 H HN 0.410 nan 8.280 nan 0.000 0.557 486 Y N 1.543 121.903 120.300 0.101 0.000 2.472 486 Y HA 0.016 4.574 4.550 0.013 0.000 0.288 486 Y C 1.976 177.922 175.900 0.077 0.000 1.154 486 Y CA 1.016 59.170 58.100 0.090 0.000 1.238 486 Y CB 0.386 38.877 38.460 0.052 0.000 1.287 486 Y HN 0.106 nan 8.280 nan 0.000 0.524 487 S N -0.262 115.415 115.700 -0.038 0.000 2.572 487 S HA 0.065 4.543 4.470 0.013 0.000 0.228 487 S C 0.540 175.112 174.600 -0.046 0.000 0.963 487 S CA 0.143 58.263 58.200 -0.133 0.000 0.939 487 S CB -0.481 62.700 63.200 -0.032 0.000 0.804 487 S HN 0.579 nan 8.310 nan 0.000 0.480 488 D N 0.879 121.283 120.400 0.007 0.000 2.319 488 D HA 0.044 4.692 4.640 0.013 0.000 0.230 488 D C 1.073 177.381 176.300 0.013 0.000 1.094 488 D CA 0.094 54.114 54.000 0.032 0.000 0.856 488 D CB -0.088 40.770 40.800 0.097 0.000 0.915 488 D HN 0.541 nan 8.370 nan 0.000 0.517 489 Q N -0.877 118.902 119.800 -0.036 0.000 2.210 489 Q HA 0.190 4.537 4.340 0.013 0.000 0.252 489 Q C 1.456 177.396 176.000 -0.100 0.000 0.811 489 Q CA -0.335 55.430 55.803 -0.062 0.000 0.953 489 Q CB 0.532 29.227 28.738 -0.071 0.000 1.136 489 Q HN 0.073 nan 8.270 nan 0.000 0.491 490 I N 2.102 122.607 120.570 -0.107 0.000 2.361 490 I HA -0.242 3.936 4.170 0.013 0.000 0.251 490 I C 2.276 178.362 176.117 -0.052 0.000 1.133 490 I CA 1.524 62.770 61.300 -0.090 0.000 1.413 490 I CB 0.017 37.971 38.000 -0.077 0.000 1.073 490 I HN 0.177 nan 8.210 nan 0.000 0.424 491 E N 0.675 120.850 120.200 -0.041 0.000 2.077 491 E HA -0.223 4.135 4.350 0.013 0.000 0.193 491 E C 2.320 178.894 176.600 -0.042 0.000 0.989 491 E CA 1.064 57.448 56.400 -0.027 0.000 0.800 491 E CB -0.102 29.589 29.700 -0.014 0.000 0.746 491 E HN 0.457 nan 8.360 nan 0.000 0.452 492 R N 0.157 120.619 120.500 -0.063 0.000 2.096 492 R HA -0.086 4.262 4.340 0.013 0.000 0.235 492 R C 2.509 178.720 176.300 -0.149 0.000 1.127 492 R CA 1.106 57.150 56.100 -0.093 0.000 0.968 492 R CB -0.446 29.789 30.300 -0.109 0.000 0.861 492 R HN 0.118 nan 8.270 nan 0.000 0.440 493 V N 1.363 121.184 119.914 -0.155 0.000 2.332 493 V HA -0.263 3.865 4.120 0.013 0.000 0.248 493 V C 2.471 178.525 176.094 -0.066 0.000 1.055 493 V CA 2.204 64.411 62.300 -0.155 0.000 1.038 493 V CB -0.667 31.111 31.823 -0.075 0.000 0.651 493 V HN 0.465 nan 8.190 nan 0.000 0.450 494 S N 0.188 115.863 115.700 -0.041 0.000 2.469 494 S HA -0.155 4.322 4.470 0.013 0.000 0.238 494 S C 1.767 176.368 174.600 0.003 0.000 0.998 494 S CA 1.184 59.374 58.200 -0.017 0.000 0.957 494 S CB -0.332 62.861 63.200 -0.011 0.000 0.764 494 S HN 0.659 nan 8.310 nan 0.000 0.514 495 R N 0.312 120.804 120.500 -0.013 0.000 2.508 495 R HA 0.523 4.871 4.340 0.013 0.000 0.300 495 R C 0.746 177.056 176.300 0.016 0.000 0.970 495 R CA 0.374 56.480 56.100 0.009 0.000 1.102 495 R CB 0.323 30.624 30.300 0.002 0.000 1.246 495 R HN 0.404 nan 8.270 nan 0.000 0.539 496 A N 2.076 124.887 122.820 -0.015 0.000 2.745 496 A HA -0.217 4.111 4.320 0.013 0.000 0.296 496 A C -0.203 177.410 177.584 0.048 0.000 1.500 496 A CA 1.259 53.307 52.037 0.018 0.000 0.766 496 A CB -1.613 17.510 19.000 0.204 0.000 1.030 496 A HN 0.419 nan 8.150 nan 0.000 0.489 497 D N -0.150 120.193 120.400 -0.095 0.000 2.499 497 D HA 0.533 5.180 4.640 0.013 0.000 0.225 497 D C -0.081 176.186 176.300 -0.055 0.000 1.124 497 D CA -0.341 53.658 54.000 -0.002 0.000 0.938 497 D CB -0.392 40.404 40.800 -0.007 0.000 1.014 497 D HN 0.227 nan 8.370 nan 0.000 0.517 498 F N 2.006 121.953 119.950 -0.006 0.000 2.459 498 F HA 0.310 4.845 4.527 0.013 0.000 0.346 498 F C 1.580 177.458 175.800 0.130 0.000 1.128 498 F CA -0.256 57.765 58.000 0.035 0.000 1.268 498 F CB 0.647 39.660 39.000 0.020 0.000 1.161 498 F HN 0.044 nan 8.300 nan 0.000 0.583 499 R N 1.016 121.678 120.500 0.269 0.000 2.457 499 R HA 0.319 4.667 4.340 0.013 0.000 0.284 499 R C -0.478 175.934 176.300 0.187 0.000 1.024 499 R CA -0.962 55.258 56.100 0.200 0.000 1.025 499 R CB 0.878 31.245 30.300 0.112 0.000 1.063 499 R HN 0.601 nan 8.270 nan 0.000 0.493 500 E N 2.777 122.996 120.200 0.032 0.000 2.290 500 E HA 0.080 4.438 4.350 0.013 0.000 0.277 500 E C -0.664 175.800 176.600 -0.227 0.000 1.035 500 E CA -0.390 55.791 56.400 -0.364 0.000 0.873 500 E CB 0.675 30.156 29.700 -0.364 0.000 1.029 500 E HN 0.364 nan 8.360 nan 0.000 0.419 501 L N 5.123 126.167 121.223 -0.298 0.000 2.361 501 L HA 0.132 4.480 4.340 0.013 0.000 0.278 501 L C -0.493 176.171 176.870 -0.343 0.000 1.113 501 L CA -0.738 53.935 54.840 -0.278 0.000 0.849 501 L CB 0.333 42.195 42.059 -0.328 0.000 1.155 501 L HN 0.394 nan 8.230 nan 0.000 0.452 502 L N 5.638 126.717 121.223 -0.240 0.000 2.261 502 L HA 0.183 4.531 4.340 0.013 0.000 0.289 502 L C 0.556 177.313 176.870 -0.188 0.000 1.059 502 L CA 0.197 54.945 54.840 -0.154 0.000 0.816 502 L CB 0.918 42.963 42.059 -0.024 0.000 1.191 502 L HN 0.615 nan 8.230 nan 0.000 0.431 503 L N 2.466 123.569 121.223 -0.200 0.000 2.500 503 L HA 0.268 4.615 4.340 0.013 0.000 0.219 503 L C 1.221 178.153 176.870 0.104 0.000 1.057 503 L CA 0.480 55.221 54.840 -0.165 0.000 0.854 503 L CB -0.095 41.854 42.059 -0.183 0.000 1.078 503 L HN 0.487 nan 8.230 nan 0.000 0.480 504 R N 0.076 120.603 120.500 0.045 0.000 2.438 504 R HA 0.102 4.450 4.340 0.013 0.000 0.287 504 R C 1.126 177.471 176.300 0.076 0.000 1.077 504 R CA -0.495 55.643 56.100 0.062 0.000 1.034 504 R CB 0.710 31.025 30.300 0.025 0.000 0.993 504 R HN -0.010 nan 8.270 nan 0.000 0.459 505 R N 2.648 123.190 120.500 0.070 0.000 2.133 505 R HA -0.226 4.121 4.340 0.013 0.000 0.245 505 R C 1.884 178.209 176.300 0.041 0.000 1.137 505 R CA 2.266 58.398 56.100 0.054 0.000 0.947 505 R CB -0.280 30.039 30.300 0.031 0.000 0.865 505 R HN 0.771 nan 8.270 nan 0.000 0.437 506 E N 0.605 120.823 120.200 0.030 0.000 2.153 506 E HA -0.227 4.131 4.350 0.013 0.000 0.194 506 E C 1.755 178.369 176.600 0.024 0.000 0.988 506 E CA 1.263 57.677 56.400 0.023 0.000 0.811 506 E CB -0.448 29.262 29.700 0.017 0.000 0.746 506 E HN 0.505 nan 8.360 nan 0.000 0.466 507 Q N 0.692 120.507 119.800 0.025 0.000 2.046 507 Q HA -0.073 4.275 4.340 0.013 0.000 0.200 507 Q C 2.595 178.615 176.000 0.034 0.000 0.975 507 Q CA 1.759 57.574 55.803 0.019 0.000 0.836 507 Q CB -0.094 28.645 28.738 0.002 0.000 0.896 507 Q HN 0.178 nan 8.270 nan 0.000 0.428 508 V N 1.736 121.684 119.914 0.056 0.000 2.295 508 V HA -0.262 3.865 4.120 0.013 0.000 0.246 508 V C 2.038 178.163 176.094 0.052 0.000 1.049 508 V CA 1.966 64.310 62.300 0.073 0.000 1.024 508 V CB -0.629 31.260 31.823 0.110 0.000 0.648 508 V HN 0.371 nan 8.190 nan 0.000 0.447 509 E N 0.583 120.807 120.200 0.041 0.000 2.110 509 E HA -0.208 4.150 4.350 0.013 0.000 0.193 509 E C 2.285 178.902 176.600 0.029 0.000 0.988 509 E CA 1.392 57.811 56.400 0.031 0.000 0.804 509 E CB -0.318 29.397 29.700 0.024 0.000 0.745 509 E HN 0.617 nan 8.360 nan 0.000 0.458 510 A N 1.187 124.023 122.820 0.028 0.000 2.014 510 A HA 0.062 4.390 4.320 0.013 0.000 0.218 510 A C 2.225 179.826 177.584 0.028 0.000 1.163 510 A CA 1.386 53.438 52.037 0.025 0.000 0.652 510 A CB -0.119 18.894 19.000 0.021 0.000 0.808 510 A HN 0.253 nan 8.150 nan 0.000 0.449 511 A N -0.617 122.223 122.820 0.033 0.000 2.252 511 A HA 0.448 4.776 4.320 0.013 0.000 0.213 511 A C 0.801 178.408 177.584 0.039 0.000 1.188 511 A CA 0.143 52.202 52.037 0.036 0.000 0.863 511 A CB -0.410 18.614 19.000 0.039 0.000 0.893 511 A HN 0.333 nan 8.150 nan 0.000 0.495 512 V N 0.760 120.697 119.914 0.038 0.000 2.681 512 V HA -0.057 4.071 4.120 0.013 0.000 0.306 512 V C 1.129 177.246 176.094 0.038 0.000 1.077 512 V CA 1.174 63.497 62.300 0.038 0.000 1.224 512 V CB 0.427 32.272 31.823 0.036 0.000 0.879 512 V HN 0.663 nan 8.190 nan 0.000 0.494 513 Q N 2.030 121.855 119.800 0.040 0.000 2.369 513 Q HA 0.273 4.621 4.340 0.013 0.000 0.254 513 Q C 0.509 176.539 176.000 0.049 0.000 0.858 513 Q CA 0.560 56.392 55.803 0.047 0.000 0.961 513 Q CB 0.794 29.566 28.738 0.055 0.000 1.119 513 Q HN 0.919 nan 8.270 nan 0.000 0.538 514 E N -0.427 119.801 120.200 0.047 0.000 2.372 514 E HA 0.365 4.723 4.350 0.013 0.000 0.279 514 E C -1.621 175.007 176.600 0.048 0.000 0.946 514 E CA -0.784 55.646 56.400 0.049 0.000 0.769 514 E CB 1.502 31.237 29.700 0.058 0.000 1.230 514 E HN 0.036 nan 8.360 nan 0.000 0.442 515 R N 2.183 122.713 120.500 0.049 0.000 2.513 515 R HA 0.431 4.779 4.340 0.013 0.000 0.301 515 R C -1.492 174.848 176.300 0.067 0.000 0.968 515 R CA -0.346 55.786 56.100 0.054 0.000 0.872 515 R CB 1.913 32.237 30.300 0.041 0.000 1.177 515 R HN 0.441 nan 8.270 nan 0.000 0.444 516 T N 6.865 121.475 114.554 0.094 0.000 2.947 516 T HA 0.308 4.665 4.350 0.013 0.000 0.337 516 T C -2.259 172.557 174.700 0.192 0.000 1.139 516 T CA -1.120 61.056 62.100 0.126 0.000 0.992 516 T CB 1.085 70.028 68.868 0.124 0.000 1.043 516 T HN 0.493 nan 8.240 nan 0.000 0.498 517 P HA 0.552 nan 4.420 nan 0.000 0.278 517 P C -0.894 176.513 177.300 0.178 0.000 1.238 517 P CA -0.472 62.672 63.100 0.074 0.000 0.794 517 P CB 0.736 32.447 31.700 0.018 0.000 0.955 518 F N -0.911 119.053 119.950 0.023 0.000 2.745 518 F HA 0.610 5.144 4.527 0.013 0.000 0.316 518 F C -1.510 174.321 175.800 0.052 0.000 1.155 518 F CA -1.158 56.863 58.000 0.036 0.000 0.937 518 F CB 1.346 40.368 39.000 0.036 0.000 1.361 518 F HN 0.220 nan 8.300 nan 0.000 0.472 519 N N 0.199 119.104 118.700 0.342 0.000 2.249 519 N HA 0.619 5.367 4.740 0.013 0.000 0.296 519 N C -2.338 173.412 175.510 0.400 0.000 1.051 519 N CA -0.590 52.596 53.050 0.225 0.000 0.815 519 N CB 2.754 41.306 38.487 0.108 0.000 1.487 519 N HN 0.668 nan 8.380 nan 0.000 0.475 520 F N 2.538 122.586 119.950 0.164 0.000 3.034 520 F HA 0.408 4.943 4.527 0.013 0.000 0.371 520 F C -0.611 175.235 175.800 0.076 0.000 1.233 520 F CA -0.628 57.456 58.000 0.139 0.000 1.134 520 F CB 0.518 39.633 39.000 0.192 0.000 1.495 520 F HN 0.241 nan 8.300 nan 0.000 0.563 521 K N 5.221 125.309 120.400 -0.520 0.000 2.318 521 K HA 0.413 4.741 4.320 0.013 0.000 0.243 521 K C -2.017 174.046 176.600 -0.897 0.000 1.047 521 K CA -1.500 54.495 56.287 -0.486 0.000 0.937 521 K CB 0.128 32.474 32.500 -0.256 0.000 1.225 521 K HN 0.365 nan 8.250 nan 0.000 0.506 522 P HA 0.000 nan 4.420 nan 0.000 0.216 522 P CA 0.000 62.882 63.100 -0.364 0.000 0.800 522 P CB 0.000 31.608 31.700 -0.154 0.000 0.726