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 1e60_1_C DATA FIRST_RESID 3 DATA SEQUENCE LANGTVMSGS HWGVFTATVE NGRATAFTPW EKDPHPSPML AGVLDSIYSP DATA SEQUENCE TRIKYPMVRR EFLEKGVNAD RSTRGNGDFV RVSWDQALDL VAAEVKRVEE DATA SEQUENCE TYGPEGVFGG SYGWKSPGRL HNCTTLLRRM LTLAGGYVNG AGDYSTGAAQ DATA SEQUENCE VIMPHVVGTL EVYEQQTAWP VLAENTEVMV FWAADPIKTS QIGWVIPEHG DATA SEQUENCE AYPGLEALKA KGTKVIVIDP VRTKTVEFFG AEHITPKPQT DVAIMLGMAH DATA SEQUENCE TLVAEDLYDK DFIANYTSGF DKFLPYLDGE TDSTPKTAEW AEGISGVPAE DATA SEQUENCE TIKELARLFE SKRTMLAAGW SMQRMHHGEQ AHWMLVTLAS MLGQIGLPGG DATA SEQUENCE GFGLSYHYSG GGTPSTSGPA LAGITDGGXX XXXXXXXAAS GASVIPVARV DATA SEQUENCE VDMLENPGAE FDFNGTRSKF PDVKMAYWVG GNPFVHHQDR NRMVKAWEKL DATA SEQUENCE ETFVVHDFQW TPTARHADIV LPATTSYERN DIETIGDYSN TGILAMKKIV DATA SEQUENCE EPLYEARSDY DIFAAVAERL GKGAEFTEGK DEMGWIKSFY DDAAKQGKAA DATA SEQUENCE GVEMPAFDAF WAEGIVEFPV TDGADFVRYA SFREDPLLNP LGTPTGLIEI DATA SEQUENCE YSKNIEKMGY DDCPAHPTWM EPLERLDGPG AKYPLHIAAS HPFNRLHSQL DATA SEQUENCE NGTVLREGYA VQGHEPCLMH PDDAAARGIA DGDVVRVHND RGQILTGVKV DATA SEQUENCE TDAVMKGVIQ IYEGGWYDPS DVTEPGTLDK YGDVNVLSAD IGTSKLAQGN DATA SEQUENCE CGQTVLAEVE KYTGPAVTLT GFVAPKAAE 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.872 176.870 0.003 0.000 1.165 3 L CA 0.000 54.841 54.840 0.002 0.000 0.813 3 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 4 A N 2.904 125.728 122.820 0.007 0.000 2.407 4 A HA 0.665 4.987 4.320 0.003 0.000 0.248 4 A C -0.377 177.211 177.584 0.008 0.000 1.082 4 A CA -0.199 51.843 52.037 0.008 0.000 0.785 4 A CB 0.270 19.278 19.000 0.013 0.000 1.020 4 A HN 0.710 nan 8.150 nan 0.000 0.489 5 N N 0.321 119.023 118.700 0.005 0.000 2.352 5 N HA 0.674 5.415 4.740 0.003 0.000 0.291 5 N C -0.041 175.470 175.510 0.003 0.000 1.040 5 N CA 0.518 53.569 53.050 0.003 0.000 0.864 5 N CB 2.162 40.648 38.487 -0.002 0.000 1.440 5 N HN 1.186 nan 8.380 nan 0.000 0.483 6 G N 0.089 108.892 108.800 0.006 0.000 2.350 6 G HA2 0.192 4.154 3.960 0.003 0.000 0.276 6 G HA3 0.192 4.154 3.960 0.003 0.000 0.276 6 G C -1.427 173.476 174.900 0.005 0.000 1.313 6 G CA -0.547 44.554 45.100 0.001 0.000 0.903 6 G HN 0.576 nan 8.290 nan 0.000 0.490 7 T N -2.730 111.819 114.554 -0.007 0.000 2.907 7 T HA 0.795 5.147 4.350 0.003 0.000 0.292 7 T C -1.064 173.613 174.700 -0.037 0.000 1.043 7 T CA -0.775 61.320 62.100 -0.008 0.000 1.003 7 T CB 2.124 70.985 68.868 -0.011 0.000 1.084 7 T HN 1.431 nan 8.240 nan 0.000 0.483 8 V N 2.674 122.555 119.914 -0.055 0.000 2.668 8 V HA 0.484 4.605 4.120 0.003 0.000 0.304 8 V C -0.388 175.581 176.094 -0.209 0.000 1.071 8 V CA -0.917 61.314 62.300 -0.116 0.000 0.894 8 V CB 1.910 33.686 31.823 -0.078 0.000 1.008 8 V HN 1.127 nan 8.190 nan 0.000 0.425 9 M N 3.834 123.256 119.600 -0.297 0.000 2.216 9 M HA 0.687 5.168 4.480 0.003 0.000 0.356 9 M C 0.016 175.972 176.300 -0.573 0.000 1.205 9 M CA 0.729 55.764 55.300 -0.442 0.000 1.122 9 M CB 1.390 33.742 32.600 -0.413 0.000 1.571 9 M HN 0.823 nan 8.290 nan 0.000 0.464 10 S N 2.431 117.599 115.700 -0.886 0.000 3.341 10 S HA 1.000 5.471 4.470 0.003 0.000 0.326 10 S C -0.757 173.310 174.600 -0.887 0.000 1.178 10 S CA -0.197 57.550 58.200 -0.754 0.000 1.002 10 S CB 1.565 64.460 63.200 -0.507 0.000 1.385 10 S HN 1.020 nan 8.310 nan 0.000 0.710 11 G N 0.135 108.628 108.800 -0.512 0.000 2.600 11 G HA2 0.641 4.603 3.960 0.003 0.000 0.293 11 G HA3 0.641 4.603 3.960 0.003 0.000 0.293 11 G C -0.993 174.045 174.900 0.231 0.000 1.408 11 G CA 0.302 45.283 45.100 -0.197 0.000 0.782 11 G HN 1.573 nan 8.290 nan 0.000 0.482 12 S N -2.249 113.644 115.700 0.322 0.000 2.815 12 S HA 0.413 4.885 4.470 0.003 0.000 0.296 12 S C 0.241 174.981 174.600 0.233 0.000 1.224 12 S CA -0.514 57.921 58.200 0.393 0.000 0.938 12 S CB 0.969 64.671 63.200 0.837 0.000 1.285 12 S HN 0.543 nan 8.310 nan 0.000 0.549 13 H N -0.303 118.915 119.070 0.247 0.000 2.521 13 H HA 0.103 4.661 4.556 0.003 0.000 0.286 13 H C 0.587 175.871 175.328 -0.075 0.000 1.034 13 H CA 1.252 57.260 56.048 -0.067 0.000 1.278 13 H CB 0.029 29.534 29.762 -0.428 0.000 1.386 13 H HN 0.553 nan 8.280 nan 0.000 0.567 14 W N 0.654 122.167 121.300 0.355 0.000 3.114 14 W HA 0.342 5.004 4.660 0.003 0.000 0.279 14 W C 0.583 177.298 176.519 0.327 0.000 1.277 14 W CA 0.832 58.373 57.345 0.327 0.000 1.630 14 W CB 1.052 30.676 29.460 0.273 0.000 1.087 14 W HN 0.185 nan 8.180 nan 0.000 0.637 15 G N -0.123 108.952 108.800 0.458 0.000 2.361 15 G HA2 0.053 4.014 3.960 0.003 0.000 0.331 15 G HA3 0.053 4.014 3.960 0.003 0.000 0.331 15 G C -1.507 173.572 174.900 0.298 0.000 1.324 15 G CA -1.205 44.086 45.100 0.318 0.000 0.984 15 G HN -0.229 nan 8.290 nan 0.000 0.586 16 V N 0.699 120.710 119.914 0.163 0.000 2.649 16 V HA 0.752 4.873 4.120 0.003 0.000 0.292 16 V C 0.326 176.480 176.094 0.100 0.000 1.055 16 V CA 0.568 62.817 62.300 -0.086 0.000 1.023 16 V CB 0.215 31.772 31.823 -0.444 0.000 0.992 16 V HN 1.255 nan 8.190 nan 0.000 0.480 17 F N 0.788 120.648 119.950 -0.149 0.000 2.745 17 F HA 0.765 5.294 4.527 0.003 0.000 0.316 17 F C -0.564 175.110 175.800 -0.209 0.000 1.155 17 F CA -0.996 56.927 58.000 -0.128 0.000 0.937 17 F CB 1.612 40.482 39.000 -0.218 0.000 1.361 17 F HN 0.223 nan 8.300 nan 0.000 0.472 18 T N 1.546 116.133 114.554 0.055 0.000 2.792 18 T HA 0.754 5.106 4.350 0.003 0.000 0.280 18 T C -0.533 174.252 174.700 0.141 0.000 0.990 18 T CA -0.444 61.639 62.100 -0.027 0.000 0.960 18 T CB 1.306 70.171 68.868 -0.006 0.000 0.939 18 T HN 0.926 nan 8.240 nan 0.000 0.439 19 A N 3.056 125.940 122.820 0.107 0.000 2.290 19 A HA 0.663 4.985 4.320 0.003 0.000 0.310 19 A C 0.486 178.156 177.584 0.143 0.000 1.202 19 A CA -0.603 51.569 52.037 0.225 0.000 0.837 19 A CB 0.303 19.457 19.000 0.256 0.000 1.139 19 A HN 0.708 nan 8.150 nan 0.000 0.509 20 T N 1.912 116.557 114.554 0.151 0.000 2.856 20 T HA 0.475 4.827 4.350 0.003 0.000 0.292 20 T C -0.203 174.549 174.700 0.087 0.000 0.980 20 T CA -0.098 62.053 62.100 0.085 0.000 1.091 20 T CB 0.851 69.754 68.868 0.058 0.000 0.936 20 T HN 0.416 nan 8.240 nan 0.000 0.503 21 V N 3.922 123.871 119.914 0.058 0.000 2.487 21 V HA 0.423 4.545 4.120 0.003 0.000 0.298 21 V C -0.222 175.885 176.094 0.021 0.000 1.028 21 V CA -0.781 61.550 62.300 0.052 0.000 0.860 21 V CB 1.756 33.614 31.823 0.057 0.000 0.991 21 V HN 0.868 nan 8.190 nan 0.000 0.427 22 E N 4.001 124.205 120.200 0.006 0.000 2.218 22 E HA 0.415 4.767 4.350 0.003 0.000 0.263 22 E C -0.515 176.076 176.600 -0.016 0.000 0.879 22 E CA -0.727 55.667 56.400 -0.010 0.000 0.762 22 E CB 1.238 30.925 29.700 -0.023 0.000 1.166 22 E HN 0.656 nan 8.360 nan 0.000 0.415 23 N N 2.135 120.829 118.700 -0.011 0.000 2.727 23 N HA -0.225 4.516 4.740 0.003 0.000 0.249 23 N C 0.656 176.162 175.510 -0.006 0.000 1.048 23 N CA 1.404 54.447 53.050 -0.012 0.000 0.714 23 N CB -1.112 37.362 38.487 -0.021 0.000 0.959 23 N HN 1.062 nan 8.380 nan 0.000 0.544 24 G N -0.734 108.071 108.800 0.008 0.000 2.168 24 G HA2 -0.374 3.588 3.960 0.003 0.000 0.263 24 G HA3 -0.374 3.588 3.960 0.003 0.000 0.263 24 G C 0.058 174.985 174.900 0.045 0.000 0.977 24 G CA 0.741 45.855 45.100 0.023 0.000 0.659 24 G HN 0.721 nan 8.290 nan 0.000 0.533 25 R N 0.253 120.768 120.500 0.025 0.000 2.494 25 R HA 0.686 5.028 4.340 0.003 0.000 0.305 25 R C 0.324 176.649 176.300 0.043 0.000 0.959 25 R CA -0.069 56.041 56.100 0.017 0.000 0.864 25 R CB 1.066 31.278 30.300 -0.147 0.000 1.159 25 R HN 0.566 nan 8.270 nan 0.000 0.446 26 A N 2.554 125.480 122.820 0.176 0.000 2.409 26 A HA 0.194 4.516 4.320 0.003 0.000 0.267 26 A C 0.907 178.504 177.584 0.022 0.000 1.127 26 A CA -0.034 52.104 52.037 0.169 0.000 0.795 26 A CB 0.433 19.619 19.000 0.309 0.000 1.061 26 A HN 0.914 nan 8.150 nan 0.000 0.502 27 T N -1.063 113.488 114.554 -0.004 0.000 2.975 27 T HA 0.588 4.940 4.350 0.003 0.000 0.257 27 T C 0.319 174.983 174.700 -0.060 0.000 1.003 27 T CA 0.616 62.672 62.100 -0.073 0.000 0.932 27 T CB 0.070 68.899 68.868 -0.065 0.000 1.087 27 T HN 1.813 nan 8.240 nan 0.000 0.512 28 A N 0.732 123.560 122.820 0.013 0.000 2.594 28 A HA 0.652 4.974 4.320 0.003 0.000 0.296 28 A C -2.038 175.696 177.584 0.250 0.000 1.061 28 A CA -0.759 51.296 52.037 0.030 0.000 0.689 28 A CB 0.944 19.966 19.000 0.036 0.000 1.280 28 A HN 0.151 nan 8.150 nan 0.000 0.406 29 F N 1.358 121.237 119.950 -0.120 0.000 2.402 29 F HA 0.606 5.135 4.527 0.003 0.000 0.355 29 F C 0.382 176.161 175.800 -0.035 0.000 1.123 29 F CA -0.719 57.196 58.000 -0.140 0.000 1.021 29 F CB 2.093 40.782 39.000 -0.517 0.000 1.160 29 F HN 0.434 nan 8.300 nan 0.000 0.451 30 T N 5.860 120.544 114.554 0.218 0.000 2.779 30 T HA 0.397 4.749 4.350 0.003 0.000 0.280 30 T C -2.581 172.239 174.700 0.199 0.000 0.987 30 T CA -1.635 60.557 62.100 0.153 0.000 0.966 30 T CB 1.652 70.587 68.868 0.111 0.000 0.933 30 T HN 0.109 nan 8.240 nan 0.000 0.442 31 P HA -0.018 nan 4.420 nan 0.000 0.266 31 P C -0.244 177.218 177.300 0.271 0.000 1.193 31 P CA -0.608 62.636 63.100 0.240 0.000 0.770 31 P CB 0.433 32.236 31.700 0.173 0.000 0.836 32 W N 3.980 125.328 121.300 0.079 0.000 2.314 32 W HA -0.040 4.622 4.660 0.002 0.000 0.339 32 W C 1.449 177.984 176.519 0.026 0.000 1.293 32 W CA -0.244 57.117 57.345 0.026 0.000 1.288 32 W CB -0.167 29.305 29.460 0.019 0.000 1.186 32 W HN 0.616 nan 8.180 nan 0.000 0.566 33 E N 2.767 122.962 120.200 -0.009 0.000 2.338 33 E HA -0.194 4.157 4.350 0.003 0.000 0.197 33 E C 1.062 177.407 176.600 -0.425 0.000 1.007 33 E CA 1.300 57.597 56.400 -0.171 0.000 0.849 33 E CB -0.085 29.554 29.700 -0.101 0.000 0.774 33 E HN 0.550 nan 8.360 nan 0.000 0.506 34 K N 0.811 120.593 120.400 -1.029 0.000 2.404 34 K HA 0.031 4.352 4.320 0.003 0.000 0.194 34 K C 0.204 176.361 176.600 -0.739 0.000 1.023 34 K CA -0.002 55.637 56.287 -1.081 0.000 1.094 34 K CB 0.222 31.706 32.500 -1.693 0.000 0.841 34 K HN 0.065 nan 8.250 nan 0.000 0.523 35 D N 2.123 122.300 120.400 -0.372 0.000 2.371 35 D HA 0.013 4.655 4.640 0.003 0.000 0.256 35 D C -1.451 174.866 176.300 0.028 0.000 1.193 35 D CA -1.914 52.113 54.000 0.046 0.000 0.881 35 D CB 1.421 42.403 40.800 0.303 0.000 1.143 35 D HN -0.026 nan 8.370 nan 0.000 0.473 36 P HA -0.072 nan 4.420 nan 0.000 0.226 36 P C -0.129 177.227 177.300 0.093 0.000 1.153 36 P CA 0.810 63.952 63.100 0.070 0.000 0.777 36 P CB 0.251 32.012 31.700 0.103 0.000 0.794 37 H N -1.343 117.695 119.070 -0.053 0.000 2.826 37 H HA 0.272 4.829 4.556 0.003 0.000 0.255 37 H C -2.771 172.274 175.328 -0.472 0.000 1.427 37 H CA -1.510 54.345 56.048 -0.323 0.000 1.521 37 H CB 0.547 29.963 29.762 -0.578 0.000 1.934 37 H HN -0.110 nan 8.280 nan 0.000 0.644 38 P HA 0.028 nan 4.420 nan 0.000 0.271 38 P C -0.142 177.035 177.300 -0.204 0.000 1.233 38 P CA -0.100 62.945 63.100 -0.092 0.000 0.789 38 P CB 1.309 33.023 31.700 0.023 0.000 0.951 39 S N 0.934 116.625 115.700 -0.015 0.000 2.489 39 S HA 0.424 4.895 4.470 0.003 0.000 0.291 39 S C -1.725 172.903 174.600 0.046 0.000 1.151 39 S CA -1.814 56.408 58.200 0.035 0.000 1.082 39 S CB 0.278 63.634 63.200 0.260 0.000 1.019 39 S HN 0.171 nan 8.310 nan 0.000 0.492 40 P HA 0.029 nan 4.420 nan 0.000 0.228 40 P C 1.085 178.374 177.300 -0.017 0.000 1.151 40 P CA 0.906 64.008 63.100 0.004 0.000 0.770 40 P CB 0.021 31.736 31.700 0.026 0.000 0.786 41 M N -1.531 118.070 119.600 0.001 0.000 2.460 41 M HA -0.069 4.412 4.480 0.003 0.000 0.263 41 M C 1.786 177.863 176.300 -0.371 0.000 1.071 41 M CA 1.045 56.255 55.300 -0.149 0.000 1.096 41 M CB -0.662 31.876 32.600 -0.102 0.000 1.408 41 M HN -0.022 nan 8.290 nan 0.000 0.463 42 L N -0.010 121.056 121.223 -0.261 0.000 2.051 42 L HA -0.273 4.069 4.340 0.003 0.000 0.214 42 L C 2.798 179.472 176.870 -0.327 0.000 1.076 42 L CA 1.490 56.171 54.840 -0.265 0.000 0.758 42 L CB -0.878 41.131 42.059 -0.082 0.000 0.890 42 L HN 0.350 nan 8.230 nan 0.000 0.433 43 A N 0.052 122.721 122.820 -0.252 0.000 1.948 43 A HA -0.191 4.131 4.320 0.003 0.000 0.220 43 A C 2.348 179.733 177.584 -0.333 0.000 1.177 43 A CA 1.970 53.840 52.037 -0.279 0.000 0.636 43 A CB -1.168 17.722 19.000 -0.183 0.000 0.815 43 A HN 0.493 nan 8.150 nan 0.000 0.449 44 G N -0.976 107.639 108.800 -0.308 0.000 2.464 44 G HA2 0.035 3.996 3.960 0.003 0.000 0.217 44 G HA3 0.035 3.996 3.960 0.003 0.000 0.217 44 G C 1.437 176.129 174.900 -0.346 0.000 1.138 44 G CA 0.990 45.922 45.100 -0.280 0.000 0.793 44 G HN 0.318 nan 8.290 nan 0.000 0.539 45 V N 1.069 120.672 119.914 -0.519 0.000 2.287 45 V HA -0.172 3.949 4.120 0.003 0.000 0.248 45 V C 2.664 178.450 176.094 -0.514 0.000 1.053 45 V CA 1.696 63.702 62.300 -0.490 0.000 1.027 45 V CB -0.611 30.874 31.823 -0.563 0.000 0.646 45 V HN 0.382 nan 8.190 nan 0.000 0.447 46 L N 0.964 121.612 121.223 -0.958 0.000 2.012 46 L HA -0.213 4.129 4.340 0.003 0.000 0.210 46 L C 2.097 178.703 176.870 -0.440 0.000 1.073 46 L CA 2.607 56.740 54.840 -1.177 0.000 0.748 46 L CB -1.022 40.203 42.059 -1.389 0.000 0.891 46 L HN 0.403 nan 8.230 nan 0.000 0.431 47 D N -0.997 119.212 120.400 -0.318 0.000 2.182 47 D HA -0.199 4.442 4.640 0.003 0.000 0.201 47 D C 2.308 178.590 176.300 -0.029 0.000 0.986 47 D CA 1.287 55.219 54.000 -0.113 0.000 0.847 47 D CB -0.088 40.636 40.800 -0.126 0.000 0.942 47 D HN 0.607 nan 8.370 nan 0.000 0.467 48 S N -0.743 114.930 115.700 -0.044 0.000 2.469 48 S HA -0.105 4.366 4.470 0.003 0.000 0.238 48 S C 2.091 176.742 174.600 0.084 0.000 0.998 48 S CA 0.448 58.713 58.200 0.108 0.000 0.957 48 S CB -0.622 62.720 63.200 0.236 0.000 0.764 48 S HN 0.379 nan 8.310 nan 0.000 0.514 49 I N -0.661 119.839 120.570 -0.117 0.000 2.439 49 I HA -0.047 4.125 4.170 0.003 0.000 0.251 49 I C 1.320 177.173 176.117 -0.441 0.000 1.139 49 I CA 1.102 62.186 61.300 -0.361 0.000 1.438 49 I CB -0.149 37.437 38.000 -0.690 0.000 1.085 49 I HN 0.304 nan 8.210 nan 0.000 0.427 50 Y N -0.252 120.076 120.300 0.047 0.000 2.500 50 Y HA 0.227 4.779 4.550 0.003 0.000 0.246 50 Y C 1.602 177.557 175.900 0.093 0.000 1.146 50 Y CA -0.592 57.553 58.100 0.076 0.000 1.230 50 Y CB -0.173 38.293 38.460 0.011 0.000 1.214 50 Y HN -0.021 nan 8.280 nan 0.000 0.526 51 S N 0.691 116.507 115.700 0.193 0.000 2.606 51 S HA 0.102 4.573 4.470 0.003 0.000 0.257 51 S C -1.625 173.075 174.600 0.167 0.000 1.327 51 S CA -0.868 57.424 58.200 0.152 0.000 0.984 51 S CB 0.939 64.207 63.200 0.113 0.000 0.941 51 S HN -0.042 nan 8.310 nan 0.000 0.576 52 P HA 0.007 nan 4.420 nan 0.000 0.222 52 P C 0.950 178.356 177.300 0.177 0.000 1.147 52 P CA 1.201 64.376 63.100 0.125 0.000 0.790 52 P CB -0.296 31.459 31.700 0.092 0.000 0.780 53 T N -4.195 110.518 114.554 0.264 0.000 3.163 53 T HA 0.186 4.538 4.350 0.003 0.000 0.252 53 T C 0.686 175.618 174.700 0.387 0.000 1.056 53 T CA -0.466 61.876 62.100 0.403 0.000 0.947 53 T CB -0.398 68.810 68.868 0.566 0.000 1.016 53 T HN -0.134 nan 8.240 nan 0.000 0.554 54 R N 2.068 122.728 120.500 0.266 0.000 2.489 54 R HA 0.286 4.627 4.340 0.003 0.000 0.287 54 R C -0.319 176.029 176.300 0.079 0.000 1.053 54 R CA -0.555 55.660 56.100 0.191 0.000 1.036 54 R CB -0.449 29.971 30.300 0.200 0.000 0.966 54 R HN 0.412 nan 8.270 nan 0.000 0.432 55 I N 6.456 126.967 120.570 -0.098 0.000 2.363 55 I HA 0.020 4.192 4.170 0.003 0.000 0.292 55 I C 1.047 177.023 176.117 -0.235 0.000 1.075 55 I CA 0.036 61.143 61.300 -0.321 0.000 1.333 55 I CB 1.072 38.639 38.000 -0.723 0.000 1.415 55 I HN 0.707 nan 8.210 nan 0.000 0.502 56 K N 5.170 125.345 120.400 -0.375 0.000 2.098 56 K HA 0.049 4.371 4.320 0.003 0.000 0.203 56 K C -0.481 175.736 176.600 -0.639 0.000 1.051 56 K CA 1.111 56.945 56.287 -0.754 0.000 0.957 56 K CB 0.193 31.747 32.500 -1.577 0.000 0.738 56 K HN 0.401 nan 8.250 nan 0.000 0.447 57 Y N -0.603 119.647 120.300 -0.083 0.000 2.609 57 Y HA 0.324 4.876 4.550 0.003 0.000 0.342 57 Y C -2.642 173.070 175.900 -0.313 0.000 1.058 57 Y CA -3.688 54.317 58.100 -0.160 0.000 1.055 57 Y CB 0.378 38.766 38.460 -0.120 0.000 1.292 57 Y HN -0.186 nan 8.280 nan 0.000 0.476 58 P HA 0.200 nan 4.420 nan 0.000 0.271 58 P C -0.766 176.382 177.300 -0.254 0.000 1.220 58 P CA 0.273 63.046 63.100 -0.545 0.000 0.768 58 P CB 0.406 31.573 31.700 -0.888 0.000 0.848 59 M N 2.406 121.885 119.600 -0.202 0.000 2.518 59 M HA 0.447 4.928 4.480 0.003 0.000 0.300 59 M C -0.903 175.427 176.300 0.049 0.000 1.175 59 M CA -0.959 54.308 55.300 -0.055 0.000 0.890 59 M CB 2.113 34.638 32.600 -0.125 0.000 1.710 59 M HN -0.049 nan 8.290 nan 0.000 0.453 60 V N 1.766 121.792 119.914 0.186 0.000 2.588 60 V HA 0.495 4.617 4.120 0.003 0.000 0.304 60 V C 0.119 176.415 176.094 0.336 0.000 1.042 60 V CA -0.993 61.446 62.300 0.231 0.000 0.877 60 V CB 2.123 34.053 31.823 0.179 0.000 0.996 60 V HN 0.881 nan 8.190 nan 0.000 0.425 61 R N 3.513 124.188 120.500 0.291 0.000 2.522 61 R HA 0.148 4.490 4.340 0.003 0.000 0.284 61 R C 1.519 177.840 176.300 0.036 0.000 1.032 61 R CA -0.025 56.052 56.100 -0.038 0.000 1.049 61 R CB 0.436 30.623 30.300 -0.188 0.000 0.956 61 R HN 0.799 nan 8.270 nan 0.000 0.422 62 R N 3.147 123.622 120.500 -0.041 0.000 2.112 62 R HA -0.252 4.090 4.340 0.003 0.000 0.242 62 R C 1.096 177.408 176.300 0.019 0.000 1.137 62 R CA 2.590 58.689 56.100 -0.003 0.000 0.944 62 R CB -0.099 30.176 30.300 -0.041 0.000 0.857 62 R HN 0.778 nan 8.270 nan 0.000 0.435 63 E N -0.075 120.126 120.200 0.002 0.000 2.097 63 E HA -0.224 4.128 4.350 0.003 0.000 0.196 63 E C 1.624 178.270 176.600 0.076 0.000 1.000 63 E CA 1.729 58.145 56.400 0.026 0.000 0.804 63 E CB -0.472 29.240 29.700 0.020 0.000 0.740 63 E HN 0.395 nan 8.360 nan 0.000 0.454 64 F N 0.545 120.490 119.950 -0.009 0.000 2.186 64 F HA -0.087 4.441 4.527 0.003 0.000 0.299 64 F C 1.911 177.724 175.800 0.022 0.000 1.090 64 F CA 1.072 59.084 58.000 0.020 0.000 1.307 64 F CB -0.039 38.985 39.000 0.040 0.000 1.019 64 F HN -0.012 nan 8.300 nan 0.000 0.489 65 L N -0.084 121.211 121.223 0.119 0.000 2.046 65 L HA -0.223 4.118 4.340 0.003 0.000 0.208 65 L C 2.219 179.052 176.870 -0.062 0.000 1.077 65 L CA 1.921 56.780 54.840 0.032 0.000 0.747 65 L CB -0.498 41.602 42.059 0.069 0.000 0.896 65 L HN 0.244 nan 8.230 nan 0.000 0.432 66 E N -0.598 119.575 120.200 -0.045 0.000 2.112 66 E HA -0.166 4.186 4.350 0.003 0.000 0.190 66 E C 1.512 178.059 176.600 -0.088 0.000 0.979 66 E CA 0.867 57.234 56.400 -0.054 0.000 0.814 66 E CB 0.236 29.918 29.700 -0.030 0.000 0.762 66 E HN 0.360 nan 8.360 nan 0.000 0.460 67 K N -0.682 119.648 120.400 -0.118 0.000 2.438 67 K HA 0.163 4.484 4.320 0.003 0.000 0.206 67 K C 0.800 177.276 176.600 -0.206 0.000 1.081 67 K CA 0.281 56.496 56.287 -0.120 0.000 1.053 67 K CB 1.584 34.049 32.500 -0.058 0.000 0.908 67 K HN 0.180 nan 8.250 nan 0.000 0.556 68 G N 1.498 110.032 108.800 -0.444 0.000 2.685 68 G HA2 -0.451 3.510 3.960 0.003 0.000 0.329 68 G HA3 -0.451 3.510 3.960 0.003 0.000 0.329 68 G C 1.098 175.827 174.900 -0.285 0.000 1.271 68 G CA 1.442 46.090 45.100 -0.752 0.000 1.003 68 G HN 0.271 nan 8.290 nan 0.000 0.549 69 V N -1.199 118.653 119.914 -0.103 0.000 2.759 69 V HA 0.011 4.132 4.120 0.003 0.000 0.256 69 V C 1.897 178.015 176.094 0.039 0.000 1.080 69 V CA 2.668 64.994 62.300 0.044 0.000 1.101 69 V CB -0.419 31.447 31.823 0.070 0.000 0.698 69 V HN 0.563 nan 8.190 nan 0.000 0.477 70 N N 1.439 120.137 118.700 -0.003 0.000 2.314 70 N HA 0.356 5.098 4.740 0.003 0.000 0.200 70 N C 0.737 176.254 175.510 0.012 0.000 1.135 70 N CA 0.734 53.788 53.050 0.007 0.000 0.835 70 N CB 0.320 38.802 38.487 -0.009 0.000 0.989 70 N HN 0.694 nan 8.380 nan 0.000 0.478 71 A N 0.786 123.622 122.820 0.026 0.000 2.483 71 A HA 0.005 4.327 4.320 0.003 0.000 0.238 71 A C 0.321 177.941 177.584 0.059 0.000 1.070 71 A CA -0.191 51.876 52.037 0.050 0.000 0.770 71 A CB 0.197 19.274 19.000 0.128 0.000 1.008 71 A HN 0.106 nan 8.150 nan 0.000 0.497 72 D N 1.050 121.477 120.400 0.044 0.000 2.342 72 D HA 0.101 4.743 4.640 0.003 0.000 0.260 72 D C 1.100 177.436 176.300 0.061 0.000 1.278 72 D CA 0.189 54.214 54.000 0.041 0.000 0.910 72 D CB 0.283 41.097 40.800 0.022 0.000 1.079 72 D HN 0.501 nan 8.370 nan 0.000 0.496 73 R N 1.535 122.081 120.500 0.077 0.000 2.276 73 R HA -0.046 4.295 4.340 0.003 0.000 0.203 73 R C 2.037 178.398 176.300 0.100 0.000 1.017 73 R CA 0.729 56.892 56.100 0.104 0.000 1.010 73 R CB 0.097 30.466 30.300 0.116 0.000 0.900 73 R HN 0.447 nan 8.270 nan 0.000 0.469 74 S N -0.012 115.732 115.700 0.074 0.000 2.547 74 S HA -0.091 4.381 4.470 0.003 0.000 0.235 74 S C 1.661 176.289 174.600 0.046 0.000 0.980 74 S CA 1.234 59.475 58.200 0.069 0.000 0.941 74 S CB -0.186 63.044 63.200 0.050 0.000 0.763 74 S HN 0.348 nan 8.310 nan 0.000 0.532 75 T N -1.066 113.500 114.554 0.020 0.000 3.086 75 T HA 0.308 4.660 4.350 0.003 0.000 0.250 75 T C 0.577 175.232 174.700 -0.076 0.000 1.074 75 T CA -0.672 61.408 62.100 -0.033 0.000 0.988 75 T CB -0.290 68.546 68.868 -0.053 0.000 0.988 75 T HN 0.282 nan 8.240 nan 0.000 0.530 76 R N 1.100 121.593 120.500 -0.011 0.000 2.585 76 R HA 0.368 4.710 4.340 0.003 0.000 0.275 76 R C 1.504 177.637 176.300 -0.278 0.000 1.018 76 R CA 1.078 57.142 56.100 -0.059 0.000 1.072 76 R CB -0.113 30.272 30.300 0.142 0.000 0.953 76 R HN 0.516 nan 8.270 nan 0.000 0.419 77 G N 2.041 110.508 108.800 -0.555 0.000 2.175 77 G HA2 -0.319 3.642 3.960 0.003 0.000 0.244 77 G HA3 -0.319 3.642 3.960 0.003 0.000 0.244 77 G C 0.618 175.227 174.900 -0.485 0.000 0.982 77 G CA 0.379 44.928 45.100 -0.917 0.000 0.641 77 G HN 0.752 nan 8.290 nan 0.000 0.527 78 N N 1.035 119.526 118.700 -0.348 0.000 2.515 78 N HA 0.327 5.068 4.740 0.003 0.000 0.185 78 N C 1.739 177.093 175.510 -0.261 0.000 1.109 78 N CA 1.354 54.250 53.050 -0.256 0.000 0.903 78 N CB -0.525 37.847 38.487 -0.192 0.000 0.969 78 N HN 1.768 nan 8.380 nan 0.000 0.450 79 G N 0.006 108.604 108.800 -0.337 0.000 2.143 79 G HA2 -0.277 3.685 3.960 0.003 0.000 0.248 79 G HA3 -0.277 3.685 3.960 0.003 0.000 0.248 79 G C -0.518 174.213 174.900 -0.281 0.000 0.991 79 G CA 0.214 45.161 45.100 -0.256 0.000 0.689 79 G HN 0.589 nan 8.290 nan 0.000 0.522 80 D N 0.349 120.506 120.400 -0.405 0.000 2.517 80 D HA 0.493 5.135 4.640 0.003 0.000 0.220 80 D C 0.113 176.202 176.300 -0.352 0.000 1.158 80 D CA -0.363 53.472 54.000 -0.274 0.000 0.992 80 D CB -0.537 40.139 40.800 -0.207 0.000 1.058 80 D HN 0.121 nan 8.370 nan 0.000 0.516 81 F N 1.065 120.968 119.950 -0.078 0.000 2.440 81 F HA 0.470 4.999 4.527 0.003 0.000 0.328 81 F C 0.460 176.240 175.800 -0.032 0.000 1.070 81 F CA -0.914 57.061 58.000 -0.041 0.000 1.011 81 F CB 1.647 40.624 39.000 -0.037 0.000 1.226 81 F HN -0.130 nan 8.300 nan 0.000 0.491 82 V N 2.516 122.563 119.914 0.223 0.000 2.540 82 V HA 0.421 4.542 4.120 0.003 0.000 0.302 82 V C -0.157 175.990 176.094 0.087 0.000 1.035 82 V CA -1.121 61.242 62.300 0.106 0.000 0.873 82 V CB 1.683 33.546 31.823 0.066 0.000 0.992 82 V HN 0.640 nan 8.190 nan 0.000 0.428 83 R N 3.326 123.841 120.500 0.025 0.000 2.438 83 R HA 0.617 4.958 4.340 0.003 0.000 0.287 83 R C -0.631 175.633 176.300 -0.059 0.000 1.077 83 R CA -0.108 55.975 56.100 -0.030 0.000 1.034 83 R CB 1.221 31.456 30.300 -0.108 0.000 0.993 83 R HN 0.697 nan 8.270 nan 0.000 0.459 84 V N 0.320 120.183 119.914 -0.086 0.000 3.141 84 V HA 0.582 4.704 4.120 0.003 0.000 0.312 84 V C -0.166 175.857 176.094 -0.118 0.000 1.157 84 V CA -1.006 61.247 62.300 -0.078 0.000 1.041 84 V CB 1.667 33.462 31.823 -0.047 0.000 1.071 84 V HN 0.911 nan 8.190 nan 0.000 0.441 85 S N -0.274 115.388 115.700 -0.063 0.000 2.603 85 S HA 0.252 4.724 4.470 0.003 0.000 0.268 85 S C 0.435 175.023 174.600 -0.020 0.000 1.317 85 S CA -0.055 58.128 58.200 -0.028 0.000 1.012 85 S CB 0.449 63.673 63.200 0.040 0.000 0.926 85 S HN 0.887 nan 8.310 nan 0.000 0.539 86 W N 0.743 122.054 121.300 0.019 0.000 2.321 86 W HA -0.121 4.541 4.660 0.003 0.000 0.306 86 W C 1.860 178.383 176.519 0.006 0.000 1.217 86 W CA 1.370 58.719 57.345 0.007 0.000 1.257 86 W CB -0.283 29.180 29.460 0.005 0.000 1.145 86 W HN 0.731 nan 8.180 nan 0.000 0.509 87 D N -0.448 120.106 120.400 0.256 0.000 2.104 87 D HA -0.213 4.429 4.640 0.003 0.000 0.194 87 D C 1.980 178.351 176.300 0.119 0.000 0.994 87 D CA 1.585 55.681 54.000 0.160 0.000 0.830 87 D CB -0.718 40.149 40.800 0.111 0.000 0.959 87 D HN 0.307 nan 8.370 nan 0.000 0.452 88 Q N 0.282 120.134 119.800 0.086 0.000 2.030 88 Q HA -0.141 4.201 4.340 0.003 0.000 0.204 88 Q C 2.233 178.273 176.000 0.067 0.000 0.986 88 Q CA 1.805 57.644 55.803 0.060 0.000 0.843 88 Q CB -0.194 28.563 28.738 0.032 0.000 0.904 88 Q HN 0.247 nan 8.270 nan 0.000 0.420 89 A N 0.564 123.411 122.820 0.046 0.000 1.902 89 A HA -0.151 4.171 4.320 0.003 0.000 0.217 89 A C 2.079 179.724 177.584 0.102 0.000 1.181 89 A CA 1.134 53.189 52.037 0.030 0.000 0.623 89 A CB -0.676 18.260 19.000 -0.107 0.000 0.818 89 A HN 0.292 nan 8.150 nan 0.000 0.443 90 L N -0.425 120.900 121.223 0.169 0.000 2.046 90 L HA -0.187 4.155 4.340 0.003 0.000 0.208 90 L C 2.083 179.029 176.870 0.128 0.000 1.077 90 L CA 1.421 56.367 54.840 0.176 0.000 0.747 90 L CB -0.664 41.513 42.059 0.197 0.000 0.896 90 L HN 0.313 nan 8.230 nan 0.000 0.432 91 D N -0.028 120.438 120.400 0.110 0.000 2.117 91 D HA -0.184 4.457 4.640 0.003 0.000 0.197 91 D C 2.072 178.433 176.300 0.102 0.000 0.987 91 D CA 1.055 55.111 54.000 0.093 0.000 0.829 91 D CB -0.160 40.685 40.800 0.076 0.000 0.961 91 D HN 0.132 nan 8.370 nan 0.000 0.460 92 L N 0.663 121.952 121.223 0.110 0.000 2.056 92 L HA -0.107 4.235 4.340 0.003 0.000 0.207 92 L C 2.219 179.179 176.870 0.150 0.000 1.078 92 L CA 1.218 56.138 54.840 0.134 0.000 0.749 92 L CB -0.441 41.709 42.059 0.152 0.000 0.901 92 L HN -0.139 nan 8.230 nan 0.000 0.433 93 V N -0.051 119.946 119.914 0.139 0.000 2.343 93 V HA -0.270 3.852 4.120 0.003 0.000 0.247 93 V C 2.774 178.978 176.094 0.184 0.000 1.051 93 V CA 1.560 63.955 62.300 0.158 0.000 1.036 93 V CB -1.274 30.657 31.823 0.181 0.000 0.654 93 V HN 0.590 nan 8.190 nan 0.000 0.451 94 A N 0.053 122.967 122.820 0.157 0.000 1.877 94 A HA -0.121 4.200 4.320 0.003 0.000 0.216 94 A C 2.439 180.098 177.584 0.125 0.000 1.186 94 A CA 2.091 54.209 52.037 0.135 0.000 0.620 94 A CB -0.854 18.207 19.000 0.101 0.000 0.822 94 A HN 0.569 nan 8.150 nan 0.000 0.443 95 A N -0.578 122.313 122.820 0.117 0.000 1.940 95 A HA -0.164 4.158 4.320 0.003 0.000 0.219 95 A C 1.983 179.645 177.584 0.128 0.000 1.176 95 A CA 1.748 53.850 52.037 0.107 0.000 0.631 95 A CB -0.392 18.666 19.000 0.096 0.000 0.814 95 A HN 0.492 nan 8.150 nan 0.000 0.446 96 E N -0.250 120.047 120.200 0.163 0.000 2.072 96 E HA -0.082 4.270 4.350 0.003 0.000 0.190 96 E C 2.272 178.984 176.600 0.187 0.000 0.982 96 E CA 1.161 57.676 56.400 0.190 0.000 0.803 96 E CB -0.586 29.251 29.700 0.228 0.000 0.755 96 E HN 0.377 nan 8.360 nan 0.000 0.453 97 V N 1.967 121.996 119.914 0.191 0.000 2.233 97 V HA -0.298 3.824 4.120 0.003 0.000 0.247 97 V C 2.615 178.800 176.094 0.152 0.000 1.050 97 V CA 2.212 64.627 62.300 0.192 0.000 1.010 97 V CB -0.508 31.436 31.823 0.203 0.000 0.637 97 V HN 0.246 nan 8.190 nan 0.000 0.444 98 K N 0.056 120.531 120.400 0.126 0.000 2.044 98 K HA -0.279 4.043 4.320 0.003 0.000 0.210 98 K C 2.410 179.065 176.600 0.092 0.000 1.049 98 K CA 2.174 58.519 56.287 0.097 0.000 0.927 98 K CB -0.270 32.279 32.500 0.081 0.000 0.713 98 K HN 0.326 nan 8.250 nan 0.000 0.443 99 R N 0.187 120.748 120.500 0.101 0.000 2.081 99 R HA -0.115 4.226 4.340 0.003 0.000 0.235 99 R C 2.015 178.374 176.300 0.099 0.000 1.131 99 R CA 1.611 57.762 56.100 0.084 0.000 0.960 99 R CB -0.112 30.246 30.300 0.097 0.000 0.856 99 R HN 0.122 nan 8.270 nan 0.000 0.436 100 V N 1.257 121.276 119.914 0.174 0.000 2.407 100 V HA -0.137 3.985 4.120 0.003 0.000 0.245 100 V C 2.219 178.449 176.094 0.228 0.000 1.041 100 V CA 1.568 64.037 62.300 0.281 0.000 1.040 100 V CB -0.261 31.739 31.823 0.295 0.000 0.671 100 V HN 0.344 nan 8.190 nan 0.000 0.455 101 E N 0.116 120.412 120.200 0.161 0.000 2.077 101 E HA -0.202 4.150 4.350 0.003 0.000 0.193 101 E C 2.207 178.856 176.600 0.082 0.000 0.989 101 E CA 1.216 57.692 56.400 0.126 0.000 0.800 101 E CB -0.126 29.639 29.700 0.108 0.000 0.746 101 E HN 0.657 nan 8.360 nan 0.000 0.452 102 E N -0.002 120.228 120.200 0.049 0.000 2.158 102 E HA -0.052 4.299 4.350 0.003 0.000 0.191 102 E C 2.008 178.579 176.600 -0.048 0.000 0.982 102 E CA 0.928 57.333 56.400 0.009 0.000 0.823 102 E CB -0.053 29.651 29.700 0.006 0.000 0.766 102 E HN 0.197 nan 8.360 nan 0.000 0.468 103 T N 0.024 114.505 114.554 -0.123 0.000 2.894 103 T HA -0.046 4.306 4.350 0.003 0.000 0.258 103 T C 1.132 175.584 174.700 -0.413 0.000 1.043 103 T CA 0.892 62.782 62.100 -0.351 0.000 1.141 103 T CB -0.115 68.365 68.868 -0.647 0.000 0.873 103 T HN 0.169 nan 8.240 nan 0.000 0.449 104 Y N 0.720 121.049 120.300 0.048 0.000 2.445 104 Y HA 0.487 5.039 4.550 0.003 0.000 0.247 104 Y C 1.492 177.419 175.900 0.046 0.000 1.129 104 Y CA -0.360 57.768 58.100 0.046 0.000 1.251 104 Y CB 0.140 38.631 38.460 0.052 0.000 1.176 104 Y HN 0.350 nan 8.280 nan 0.000 0.522 105 G N 1.504 110.400 108.800 0.159 0.000 2.828 105 G HA2 -0.219 3.742 3.960 0.003 0.000 0.463 105 G HA3 -0.219 3.742 3.960 0.003 0.000 0.463 105 G C -1.821 173.158 174.900 0.131 0.000 1.394 105 G CA -0.447 44.721 45.100 0.114 0.000 0.862 105 G HN 0.052 nan 8.290 nan 0.000 0.540 106 P HA -0.072 nan 4.420 nan 0.000 0.219 106 P C 1.219 178.576 177.300 0.094 0.000 1.146 106 P CA 1.924 65.075 63.100 0.085 0.000 0.808 106 P CB -0.060 31.655 31.700 0.024 0.000 0.779 107 E N -0.012 120.242 120.200 0.089 0.000 2.333 107 E HA -0.048 4.304 4.350 0.003 0.000 0.198 107 E C 2.186 178.847 176.600 0.101 0.000 1.007 107 E CA 1.277 57.734 56.400 0.095 0.000 0.845 107 E CB -1.355 28.397 29.700 0.087 0.000 0.766 107 E HN 0.334 nan 8.360 nan 0.000 0.507 108 G N 0.139 109.011 108.800 0.120 0.000 2.985 108 G HA2 0.085 4.047 3.960 0.003 0.000 0.209 108 G HA3 0.085 4.047 3.960 0.003 0.000 0.209 108 G C 0.057 175.014 174.900 0.094 0.000 1.165 108 G CA -0.150 44.995 45.100 0.074 0.000 0.776 108 G HN 0.094 nan 8.290 nan 0.000 0.541 109 V N 1.044 121.048 119.914 0.150 0.000 2.378 109 V HA 0.413 4.535 4.120 0.003 0.000 0.288 109 V C -1.193 175.037 176.094 0.227 0.000 1.016 109 V CA -1.123 61.287 62.300 0.183 0.000 0.840 109 V CB 1.418 33.355 31.823 0.190 0.000 0.994 109 V HN 0.168 nan 8.190 nan 0.000 0.431 110 F N 3.932 123.915 119.950 0.056 0.000 2.404 110 F HA 0.688 5.217 4.527 0.003 0.000 0.358 110 F C 0.977 176.771 175.800 -0.010 0.000 1.120 110 F CA -0.571 57.443 58.000 0.023 0.000 1.144 110 F CB 1.395 40.372 39.000 -0.038 0.000 1.133 110 F HN 0.514 nan 8.300 nan 0.000 0.495 111 G N 3.626 112.087 108.800 -0.564 0.000 3.899 111 G HA2 0.205 4.167 3.960 0.003 0.000 0.293 111 G HA3 0.205 4.167 3.960 0.003 0.000 0.293 111 G C 1.179 175.527 174.900 -0.920 0.000 1.054 111 G CA 0.190 44.887 45.100 -0.672 0.000 0.846 111 G HN 0.956 nan 8.290 nan 0.000 0.525 112 G N 0.467 108.326 108.800 -1.567 0.000 2.418 112 G HA2 -0.093 3.869 3.960 0.003 0.000 0.217 112 G HA3 -0.093 3.869 3.960 0.003 0.000 0.217 112 G C 1.103 175.604 174.900 -0.666 0.000 1.158 112 G CA 1.203 45.709 45.100 -0.990 0.000 0.771 112 G HN 0.971 nan 8.290 nan 0.000 0.545 113 S N -1.192 113.875 115.700 -1.055 0.000 3.378 113 S HA -0.268 4.204 4.470 0.003 0.000 0.365 113 S C 0.184 174.606 174.600 -0.296 0.000 0.951 113 S CA 0.180 57.674 58.200 -1.176 0.000 1.274 113 S CB -1.650 61.139 63.200 -0.685 0.000 0.915 113 S HN 0.582 nan 8.310 nan 0.000 0.513 114 Y N 1.075 121.432 120.300 0.094 0.000 2.620 114 Y HA 0.447 4.998 4.550 0.003 0.000 0.330 114 Y C 0.854 177.086 175.900 0.554 0.000 1.186 114 Y CA 1.459 59.787 58.100 0.380 0.000 1.467 114 Y CB 0.352 39.124 38.460 0.520 0.000 1.262 114 Y HN 0.623 nan 8.280 nan 0.000 0.550 115 G N 4.070 112.550 108.800 -0.533 0.000 2.377 115 G HA2 0.005 3.967 3.960 0.003 0.000 0.297 115 G HA3 0.005 3.967 3.960 0.003 0.000 0.297 115 G C -1.035 173.871 174.900 0.010 0.000 1.547 115 G CA -0.946 44.112 45.100 -0.071 0.000 0.833 115 G HN 0.694 nan 8.290 nan 0.000 0.583 116 W N 1.869 123.217 121.300 0.080 0.000 2.595 116 W HA 0.110 4.772 4.660 0.003 0.000 0.257 116 W C 2.197 178.811 176.519 0.158 0.000 1.267 116 W CA 1.240 58.702 57.345 0.196 0.000 1.300 116 W CB 0.125 29.697 29.460 0.186 0.000 1.120 116 W HN 1.086 nan 8.180 nan 0.000 0.618 117 K N -1.019 119.562 120.400 0.302 0.000 2.179 117 K HA -0.326 3.996 4.320 0.003 0.000 0.144 117 K C 0.077 176.872 176.600 0.324 0.000 1.469 117 K CA 1.359 57.785 56.287 0.232 0.000 0.623 117 K CB -1.915 30.636 32.500 0.085 0.000 0.552 117 K HN -0.072 nan 8.250 nan 0.000 0.958 118 S N 1.357 117.119 115.700 0.104 0.000 2.599 118 S HA 0.621 5.093 4.470 0.003 0.000 0.287 118 S C -2.763 171.593 174.600 -0.406 0.000 1.105 118 S CA -1.043 57.075 58.200 -0.136 0.000 0.899 118 S CB 2.272 65.477 63.200 0.008 0.000 1.100 118 S HN 0.533 nan 8.310 nan 0.000 0.482 119 P HA 0.593 nan 4.420 nan 0.000 0.274 119 P C -0.347 176.802 177.300 -0.252 0.000 1.256 119 P CA -0.067 62.734 63.100 -0.499 0.000 0.795 119 P CB 0.318 31.733 31.700 -0.476 0.000 1.038 120 G N 0.088 108.773 108.800 -0.191 0.000 2.634 120 G HA2 -0.018 3.944 3.960 0.003 0.000 0.568 120 G HA3 -0.018 3.944 3.960 0.003 0.000 0.568 120 G C 0.239 175.089 174.900 -0.083 0.000 1.495 120 G CA -0.707 44.351 45.100 -0.069 0.000 0.903 120 G HN 0.283 nan 8.290 nan 0.000 0.646 121 R N 0.956 121.423 120.500 -0.056 0.000 2.193 121 R HA 0.072 4.413 4.340 0.003 0.000 0.213 121 R C 2.316 178.490 176.300 -0.209 0.000 1.055 121 R CA 1.063 57.036 56.100 -0.212 0.000 0.995 121 R CB -0.296 29.800 30.300 -0.340 0.000 0.893 121 R HN 0.561 nan 8.270 nan 0.000 0.459 122 L N 0.017 121.236 121.223 -0.006 0.000 2.189 122 L HA 0.086 4.428 4.340 0.003 0.000 0.199 122 L C 0.923 177.636 176.870 -0.262 0.000 1.074 122 L CA 1.463 56.236 54.840 -0.112 0.000 0.783 122 L CB -0.401 41.534 42.059 -0.207 0.000 0.955 122 L HN 0.077 nan 8.230 nan 0.000 0.460 123 H N 1.507 120.581 119.070 0.007 0.000 2.966 123 H HA 0.184 4.742 4.556 0.003 0.000 0.217 123 H C -0.288 175.044 175.328 0.008 0.000 1.906 123 H CA -0.115 55.952 56.048 0.032 0.000 1.351 123 H CB -0.941 28.834 29.762 0.021 0.000 1.722 123 H HN 0.258 nan 8.280 nan 0.000 0.562 124 N N 1.926 120.643 118.700 0.029 0.000 2.645 124 N HA -0.017 4.725 4.740 0.003 0.000 0.233 124 N C 1.394 176.922 175.510 0.030 0.000 1.058 124 N CA -0.382 52.654 53.050 -0.023 0.000 0.942 124 N CB 0.012 38.432 38.487 -0.112 0.000 1.210 124 N HN 0.415 nan 8.380 nan 0.000 0.512 125 C N 1.345 120.708 119.300 0.105 0.000 2.413 125 C HA -0.143 4.319 4.460 0.003 0.000 0.276 125 C C 2.487 177.519 174.990 0.070 0.000 1.236 125 C CA 1.502 60.636 59.018 0.194 0.000 1.735 125 C CB -1.570 26.323 27.740 0.256 0.000 2.031 125 C HN 0.705 nan 8.230 nan 0.000 0.474 126 T N -1.395 113.150 114.554 -0.016 0.000 2.821 126 T HA -0.130 4.222 4.350 0.003 0.000 0.267 126 T C 1.609 176.176 174.700 -0.220 0.000 1.046 126 T CA 2.257 64.280 62.100 -0.129 0.000 1.139 126 T CB -1.216 67.589 68.868 -0.105 0.000 0.871 126 T HN 0.593 nan 8.240 nan 0.000 0.454 127 T N 2.108 116.559 114.554 -0.172 0.000 2.821 127 T HA 0.185 4.536 4.350 0.003 0.000 0.267 127 T C 1.881 176.415 174.700 -0.276 0.000 1.046 127 T CA 0.877 62.850 62.100 -0.210 0.000 1.139 127 T CB -0.464 68.299 68.868 -0.175 0.000 0.871 127 T HN 0.289 nan 8.240 nan 0.000 0.454 128 L N 0.589 121.673 121.223 -0.232 0.000 2.083 128 L HA -0.079 4.263 4.340 0.003 0.000 0.209 128 L C 2.433 178.878 176.870 -0.707 0.000 1.083 128 L CA 0.824 55.526 54.840 -0.231 0.000 0.752 128 L CB -0.568 41.558 42.059 0.112 0.000 0.899 128 L HN 0.256 nan 8.230 nan 0.000 0.433 129 L N 0.074 120.718 121.223 -0.964 0.000 2.012 129 L HA -0.217 4.125 4.340 0.003 0.000 0.210 129 L C 2.655 178.971 176.870 -0.924 0.000 1.073 129 L CA 1.809 55.793 54.840 -1.426 0.000 0.748 129 L CB -0.455 41.092 42.059 -0.854 0.000 0.891 129 L HN 0.082 nan 8.230 nan 0.000 0.431 130 R N -0.949 119.138 120.500 -0.688 0.000 2.148 130 R HA -0.082 4.260 4.340 0.003 0.000 0.223 130 R C 2.420 178.519 176.300 -0.335 0.000 1.088 130 R CA 1.036 56.733 56.100 -0.673 0.000 0.985 130 R CB -0.347 29.586 30.300 -0.612 0.000 0.880 130 R HN 0.413 nan 8.270 nan 0.000 0.451 131 R N 0.718 121.053 120.500 -0.275 0.000 2.081 131 R HA -0.105 4.237 4.340 0.003 0.000 0.235 131 R C 2.240 178.538 176.300 -0.004 0.000 1.131 131 R CA 1.364 57.381 56.100 -0.139 0.000 0.960 131 R CB -0.080 30.070 30.300 -0.252 0.000 0.856 131 R HN 0.122 nan 8.270 nan 0.000 0.436 132 M N 0.746 120.308 119.600 -0.064 0.000 2.156 132 M HA -0.087 4.394 4.480 0.003 0.000 0.264 132 M C 1.884 178.125 176.300 -0.098 0.000 1.067 132 M CA 1.561 56.823 55.300 -0.063 0.000 1.131 132 M CB -0.388 32.046 32.600 -0.277 0.000 1.368 132 M HN 0.268 nan 8.290 nan 0.000 0.416 133 L N -0.373 120.722 121.223 -0.214 0.000 2.131 133 L HA -0.182 4.160 4.340 0.003 0.000 0.210 133 L C 2.270 179.210 176.870 0.116 0.000 1.092 133 L CA 1.353 56.149 54.840 -0.073 0.000 0.759 133 L CB -1.108 40.839 42.059 -0.185 0.000 0.903 133 L HN 0.292 nan 8.230 nan 0.000 0.435 134 T N 0.390 115.026 114.554 0.137 0.000 2.708 134 T HA -0.161 4.191 4.350 0.003 0.000 0.266 134 T C 1.921 176.673 174.700 0.087 0.000 1.037 134 T CA 1.271 63.468 62.100 0.162 0.000 1.146 134 T CB -0.237 68.707 68.868 0.126 0.000 0.865 134 T HN 0.214 nan 8.240 nan 0.000 0.435 135 L N 0.571 121.838 121.223 0.073 0.000 2.275 135 L HA 0.015 4.357 4.340 0.003 0.000 0.215 135 L C 2.599 179.507 176.870 0.063 0.000 1.119 135 L CA 0.743 55.624 54.840 0.070 0.000 0.790 135 L CB -0.414 41.701 42.059 0.093 0.000 0.919 135 L HN 0.223 nan 8.230 nan 0.000 0.443 136 A N -1.091 121.768 122.820 0.065 0.000 2.275 136 A HA 0.397 4.719 4.320 0.003 0.000 0.212 136 A C 1.695 179.322 177.584 0.072 0.000 1.201 136 A CA 0.822 52.900 52.037 0.067 0.000 0.843 136 A CB 0.037 19.082 19.000 0.074 0.000 0.873 136 A HN 0.465 nan 8.150 nan 0.000 0.492 137 G N -2.995 105.847 108.800 0.071 0.000 2.624 137 G HA2 0.430 4.392 3.960 0.003 0.000 0.190 137 G HA3 0.430 4.392 3.960 0.003 0.000 0.190 137 G C 0.976 175.906 174.900 0.050 0.000 1.008 137 G CA 0.466 45.601 45.100 0.058 0.000 0.731 137 G HN 2.217 nan 8.290 nan 0.000 0.478 138 G N -1.013 107.842 108.800 0.091 0.000 2.371 138 G HA2 0.636 4.597 3.960 0.003 0.000 0.663 138 G HA3 0.636 4.597 3.960 0.003 0.000 0.663 138 G C -0.748 174.238 174.900 0.142 0.000 1.311 138 G CA 0.105 45.222 45.100 0.027 0.000 0.985 138 G HN 2.070 nan 8.290 nan 0.000 0.566 139 Y N -3.737 116.554 120.300 -0.015 0.000 2.732 139 Y HA 0.631 5.183 4.550 0.003 0.000 0.342 139 Y C -0.529 175.361 175.900 -0.016 0.000 1.203 139 Y CA -1.469 56.617 58.100 -0.022 0.000 1.092 139 Y CB 0.586 38.990 38.460 -0.093 0.000 1.345 139 Y HN 0.883 nan 8.280 nan 0.000 0.458 140 V N 3.084 123.090 119.914 0.154 0.000 2.461 140 V HA 0.297 4.418 4.120 0.003 0.000 0.275 140 V C -0.184 176.004 176.094 0.157 0.000 1.047 140 V CA -0.194 62.203 62.300 0.162 0.000 0.955 140 V CB 0.777 32.786 31.823 0.310 0.000 0.988 140 V HN 0.764 nan 8.190 nan 0.000 0.471 141 N N 2.740 121.515 118.700 0.125 0.000 2.518 141 N HA 0.641 5.383 4.740 0.003 0.000 0.284 141 N C -0.012 175.567 175.510 0.114 0.000 1.230 141 N CA -0.036 53.057 53.050 0.071 0.000 0.941 141 N CB 2.074 40.648 38.487 0.145 0.000 1.219 141 N HN 0.733 nan 8.380 nan 0.000 0.560 142 G N -1.145 107.698 108.800 0.071 0.000 2.441 142 G HA2 0.706 4.667 3.960 0.003 0.000 0.334 142 G HA3 0.706 4.667 3.960 0.003 0.000 0.334 142 G C -1.349 173.622 174.900 0.117 0.000 1.161 142 G CA -0.451 44.754 45.100 0.176 0.000 0.935 142 G HN 0.609 nan 8.290 nan 0.000 0.488 143 A N -0.105 122.765 122.820 0.083 0.000 2.365 143 A HA 0.965 5.287 4.320 0.003 0.000 0.318 143 A C 0.716 178.328 177.584 0.047 0.000 1.091 143 A CA 0.485 52.577 52.037 0.091 0.000 0.763 143 A CB 1.001 20.099 19.000 0.163 0.000 1.248 143 A HN 2.640 nan 8.150 nan 0.000 0.442 144 G N 1.574 110.418 108.800 0.073 0.000 2.593 144 G HA2 0.230 4.191 3.960 0.003 0.000 0.237 144 G HA3 0.230 4.191 3.960 0.003 0.000 0.237 144 G C -0.517 174.396 174.900 0.022 0.000 1.312 144 G CA 0.862 45.984 45.100 0.037 0.000 0.896 144 G HN 2.157 nan 8.290 nan 0.000 0.574 145 D N -3.610 116.760 120.400 -0.050 0.000 2.677 145 D HA 0.542 5.184 4.640 0.003 0.000 0.298 145 D C 0.132 176.304 176.300 -0.213 0.000 1.250 145 D CA -0.728 53.227 54.000 -0.074 0.000 0.888 145 D CB 0.112 41.038 40.800 0.211 0.000 1.397 145 D HN 0.351 nan 8.370 nan 0.000 0.461 146 Y N -0.327 119.783 120.300 -0.316 0.000 2.511 146 Y HA 0.176 4.728 4.550 0.003 0.000 0.279 146 Y C 2.226 178.148 175.900 0.037 0.000 1.157 146 Y CA 0.547 58.554 58.100 -0.153 0.000 1.300 146 Y CB 0.333 38.673 38.460 -0.199 0.000 1.052 146 Y HN 0.308 nan 8.280 nan 0.000 0.529 147 S N -0.895 114.938 115.700 0.222 0.000 2.348 147 S HA -0.082 4.390 4.470 0.003 0.000 0.219 147 S C 1.492 176.064 174.600 -0.047 0.000 1.033 147 S CA 1.699 60.032 58.200 0.223 0.000 0.974 147 S CB -0.246 63.101 63.200 0.246 0.000 0.868 147 S HN 0.506 nan 8.310 nan 0.000 0.459 148 T N -1.312 113.093 114.554 -0.249 0.000 3.487 148 T HA 0.421 4.772 4.350 0.003 0.000 0.287 148 T C 1.296 175.839 174.700 -0.262 0.000 1.004 148 T CA 0.197 62.014 62.100 -0.472 0.000 0.977 148 T CB 0.516 68.793 68.868 -0.986 0.000 1.180 148 T HN 0.195 nan 8.240 nan 0.000 0.490 149 G N 1.749 110.464 108.800 -0.141 0.000 2.505 149 G HA2 -0.095 3.867 3.960 0.003 0.000 0.220 149 G HA3 -0.095 3.867 3.960 0.003 0.000 0.220 149 G C 1.520 176.384 174.900 -0.059 0.000 1.145 149 G CA 0.951 45.986 45.100 -0.108 0.000 0.761 149 G HN 0.776 nan 8.290 nan 0.000 0.571 150 A N 0.699 123.494 122.820 -0.041 0.000 1.887 150 A HA 0.548 4.869 4.320 0.003 0.000 0.212 150 A C 2.785 180.351 177.584 -0.030 0.000 1.198 150 A CA 1.706 53.746 52.037 0.004 0.000 0.628 150 A CB -0.734 18.296 19.000 0.050 0.000 0.847 150 A HN 0.782 nan 8.150 nan 0.000 0.449 151 A N 0.544 123.321 122.820 -0.072 0.000 1.972 151 A HA -0.216 4.106 4.320 0.003 0.000 0.219 151 A C 2.175 179.623 177.584 -0.226 0.000 1.169 151 A CA 1.762 53.720 52.037 -0.131 0.000 0.635 151 A CB -0.668 18.161 19.000 -0.284 0.000 0.810 151 A HN 0.769 nan 8.150 nan 0.000 0.446 152 Q N -0.701 118.930 119.800 -0.281 0.000 2.435 152 Q HA 0.021 4.363 4.340 0.003 0.000 0.207 152 Q C 1.293 177.186 176.000 -0.179 0.000 0.956 152 Q CA 1.491 57.123 55.803 -0.284 0.000 0.917 152 Q CB -0.182 28.361 28.738 -0.326 0.000 0.997 152 Q HN 0.355 nan 8.270 nan 0.000 0.497 153 V N 0.331 120.172 119.914 -0.120 0.000 2.672 153 V HA -0.086 4.036 4.120 0.003 0.000 0.242 153 V C 1.962 177.998 176.094 -0.097 0.000 1.059 153 V CA 0.686 62.930 62.300 -0.093 0.000 1.081 153 V CB -0.014 31.807 31.823 -0.003 0.000 0.752 153 V HN 0.314 nan 8.190 nan 0.000 0.472 154 I N -0.292 120.221 120.570 -0.095 0.000 2.500 154 I HA -0.108 4.064 4.170 0.003 0.000 0.252 154 I C 2.212 178.182 176.117 -0.244 0.000 1.142 154 I CA 1.591 62.791 61.300 -0.166 0.000 1.451 154 I CB -0.206 37.685 38.000 -0.181 0.000 1.093 154 I HN 0.103 nan 8.210 nan 0.000 0.430 155 M N 0.737 120.222 119.600 -0.193 0.000 2.086 155 M HA -0.084 4.397 4.480 0.003 0.000 0.261 155 M C -0.114 176.079 176.300 -0.179 0.000 1.067 155 M CA 1.900 57.100 55.300 -0.166 0.000 1.116 155 M CB -2.575 29.959 32.600 -0.109 0.000 1.348 155 M HN 0.108 nan 8.290 nan 0.000 0.407 156 P HA -0.151 nan 4.420 nan 0.000 0.217 156 P C 1.346 178.457 177.300 -0.315 0.000 1.148 156 P CA 1.338 64.278 63.100 -0.267 0.000 0.828 156 P CB -0.334 31.163 31.700 -0.339 0.000 0.783 157 H N -1.847 117.081 119.070 -0.238 0.000 2.502 157 H HA 0.086 4.643 4.556 0.003 0.000 0.283 157 H C 1.662 176.822 175.328 -0.281 0.000 1.015 157 H CA 0.938 56.826 56.048 -0.267 0.000 1.298 157 H CB -0.104 29.439 29.762 -0.365 0.000 1.411 157 H HN 0.060 nan 8.280 nan 0.000 0.556 158 V N 0.301 120.087 119.914 -0.213 0.000 2.908 158 V HA -0.056 4.066 4.120 0.003 0.000 0.240 158 V C 2.178 178.223 176.094 -0.082 0.000 1.117 158 V CA 0.997 63.179 62.300 -0.196 0.000 1.133 158 V CB 0.428 32.022 31.823 -0.380 0.000 0.857 158 V HN 0.308 nan 8.190 nan 0.000 0.478 159 V N -2.455 117.415 119.914 -0.072 0.000 3.477 159 V HA 0.684 4.806 4.120 0.003 0.000 0.297 159 V C 1.419 177.502 176.094 -0.018 0.000 1.433 159 V CA 0.747 63.036 62.300 -0.018 0.000 1.052 159 V CB -0.083 31.804 31.823 0.107 0.000 0.895 159 V HN 0.652 nan 8.190 nan 0.000 0.438 160 G N 1.115 109.879 108.800 -0.061 0.000 2.205 160 G HA2 -0.246 3.715 3.960 0.003 0.000 0.261 160 G HA3 -0.246 3.715 3.960 0.003 0.000 0.261 160 G C 0.293 175.153 174.900 -0.066 0.000 0.980 160 G CA 0.758 45.817 45.100 -0.068 0.000 0.632 160 G HN 1.106 nan 8.290 nan 0.000 0.533 161 T N -1.804 112.723 114.554 -0.045 0.000 2.888 161 T HA 0.654 5.006 4.350 0.003 0.000 0.288 161 T C 1.067 175.726 174.700 -0.069 0.000 1.063 161 T CA -0.095 61.976 62.100 -0.048 0.000 1.010 161 T CB 1.721 70.575 68.868 -0.022 0.000 1.214 161 T HN 0.667 nan 8.240 nan 0.000 0.533 162 L N 0.849 122.027 121.223 -0.075 0.000 2.093 162 L HA 0.055 4.397 4.340 0.003 0.000 0.208 162 L C 1.961 178.759 176.870 -0.121 0.000 1.085 162 L CA 2.721 57.493 54.840 -0.114 0.000 0.755 162 L CB -0.980 41.028 42.059 -0.086 0.000 0.904 162 L HN 1.080 nan 8.230 nan 0.000 0.435 163 E N -1.710 118.463 120.200 -0.046 0.000 5.150 163 E HA -0.328 4.024 4.350 0.003 0.000 0.167 163 E C 1.534 178.128 176.600 -0.010 0.000 1.196 163 E CA 2.353 58.761 56.400 0.013 0.000 2.189 163 E CB -1.827 27.932 29.700 0.098 0.000 1.820 163 E HN 0.429 nan 8.360 nan 0.000 0.420 164 V N -1.513 118.293 119.914 -0.179 0.000 2.626 164 V HA -0.023 4.098 4.120 0.003 0.000 0.252 164 V C 1.459 177.561 176.094 0.013 0.000 1.067 164 V CA 2.037 64.211 62.300 -0.210 0.000 1.081 164 V CB -0.687 30.660 31.823 -0.793 0.000 0.686 164 V HN 0.344 nan 8.190 nan 0.000 0.468 165 Y N 0.907 121.290 120.300 0.137 0.000 2.736 165 Y HA 0.630 5.182 4.550 0.003 0.000 0.293 165 Y C 0.416 176.498 175.900 0.303 0.000 1.062 165 Y CA -1.643 56.616 58.100 0.266 0.000 1.247 165 Y CB -0.340 38.173 38.460 0.089 0.000 1.200 165 Y HN 0.447 nan 8.280 nan 0.000 0.552 166 E N -0.077 120.341 120.200 0.363 0.000 2.299 166 E HA 0.356 4.708 4.350 0.003 0.000 0.265 166 E C -0.871 175.800 176.600 0.118 0.000 0.911 166 E CA -1.495 55.048 56.400 0.239 0.000 0.789 166 E CB 1.585 31.326 29.700 0.067 0.000 1.246 166 E HN -0.039 nan 8.360 nan 0.000 0.427 167 Q N 1.936 121.768 119.800 0.053 0.000 2.349 167 Q HA -0.054 4.288 4.340 0.003 0.000 0.287 167 Q C -0.771 175.156 176.000 -0.121 0.000 1.044 167 Q CA 0.628 56.341 55.803 -0.150 0.000 0.918 167 Q CB 0.515 29.108 28.738 -0.242 0.000 1.242 167 Q HN 0.237 nan 8.270 nan 0.000 0.405 168 Q N 1.874 121.520 119.800 -0.257 0.000 2.193 168 Q HA 0.319 4.660 4.340 0.003 0.000 0.246 168 Q C -0.359 175.655 176.000 0.023 0.000 0.959 168 Q CA -0.478 55.147 55.803 -0.297 0.000 0.904 168 Q CB 0.845 29.022 28.738 -0.934 0.000 1.238 168 Q HN 0.721 nan 8.270 nan 0.000 0.469 169 T N 1.502 116.022 114.554 -0.057 0.000 2.933 169 T HA 0.137 4.489 4.350 0.003 0.000 0.306 169 T C 0.161 174.901 174.700 0.068 0.000 1.045 169 T CA 0.111 62.181 62.100 -0.049 0.000 1.143 169 T CB 0.184 68.999 68.868 -0.087 0.000 1.003 169 T HN 0.601 nan 8.240 nan 0.000 0.540 170 A N 3.022 125.919 122.820 0.127 0.000 2.483 170 A HA 0.181 4.502 4.320 0.003 0.000 0.238 170 A C 1.016 178.689 177.584 0.149 0.000 1.070 170 A CA -0.369 51.760 52.037 0.154 0.000 0.770 170 A CB -0.042 19.082 19.000 0.206 0.000 1.008 170 A HN 1.107 nan 8.150 nan 0.000 0.497 171 W N 1.604 123.021 121.300 0.195 0.000 2.302 171 W HA -0.203 4.459 4.660 0.002 0.000 0.320 171 W C -0.402 176.174 176.519 0.096 0.000 1.241 171 W CA 2.285 59.714 57.345 0.141 0.000 1.264 171 W CB -0.901 28.643 29.460 0.140 0.000 1.154 171 W HN 0.645 nan 8.180 nan 0.000 0.483 172 P HA -0.141 nan 4.420 nan 0.000 0.217 172 P C 1.509 178.902 177.300 0.155 0.000 1.150 172 P CA 1.665 64.894 63.100 0.214 0.000 0.832 172 P CB -0.323 31.483 31.700 0.177 0.000 0.787 173 V N 0.523 120.516 119.914 0.132 0.000 2.332 173 V HA -0.233 3.888 4.120 0.003 0.000 0.248 173 V C 2.781 178.911 176.094 0.060 0.000 1.055 173 V CA 1.616 63.960 62.300 0.074 0.000 1.038 173 V CB -1.270 30.575 31.823 0.037 0.000 0.651 173 V HN 0.025 nan 8.190 nan 0.000 0.450 174 L N 0.175 121.441 121.223 0.072 0.000 2.046 174 L HA -0.146 4.196 4.340 0.003 0.000 0.208 174 L C 2.757 179.677 176.870 0.083 0.000 1.077 174 L CA 1.629 56.494 54.840 0.042 0.000 0.747 174 L CB -0.963 41.099 42.059 0.005 0.000 0.896 174 L HN 0.360 nan 8.230 nan 0.000 0.432 175 A N -0.474 122.432 122.820 0.143 0.000 1.972 175 A HA -0.168 4.153 4.320 0.003 0.000 0.219 175 A C 2.140 179.775 177.584 0.085 0.000 1.169 175 A CA 1.477 53.591 52.037 0.129 0.000 0.635 175 A CB -0.236 18.852 19.000 0.147 0.000 0.810 175 A HN 0.388 nan 8.150 nan 0.000 0.446 176 E N -0.837 119.407 120.200 0.073 0.000 2.452 176 E HA 0.051 4.402 4.350 0.003 0.000 0.197 176 E C 0.743 177.365 176.600 0.036 0.000 1.022 176 E CA 0.229 56.660 56.400 0.053 0.000 0.890 176 E CB 0.051 29.782 29.700 0.052 0.000 0.918 176 E HN 0.673 nan 8.360 nan 0.000 0.496 177 N N -0.021 118.695 118.700 0.027 0.000 2.380 177 N HA 0.022 4.763 4.740 0.003 0.000 0.227 177 N C 0.065 175.574 175.510 -0.002 0.000 1.139 177 N CA 0.213 53.269 53.050 0.010 0.000 0.843 177 N CB 0.891 39.378 38.487 0.001 0.000 1.327 177 N HN -0.088 nan 8.380 nan 0.000 0.470 178 T N 1.618 116.167 114.554 -0.008 0.000 2.870 178 T HA 0.121 4.473 4.350 0.003 0.000 0.300 178 T C 1.103 175.791 174.700 -0.020 0.000 0.989 178 T CA 0.408 62.489 62.100 -0.032 0.000 1.139 178 T CB 1.570 70.401 68.868 -0.061 0.000 0.920 178 T HN 0.126 nan 8.240 nan 0.000 0.537 179 E N 1.341 121.528 120.200 -0.022 0.000 2.290 179 E HA 0.141 4.492 4.350 0.003 0.000 0.197 179 E C -0.091 176.498 176.600 -0.018 0.000 0.948 179 E CA 0.249 56.645 56.400 -0.008 0.000 0.895 179 E CB 0.667 30.370 29.700 0.005 0.000 0.865 179 E HN 0.275 nan 8.360 nan 0.000 0.486 180 V N 2.220 122.113 119.914 -0.035 0.000 2.482 180 V HA 0.294 4.415 4.120 0.003 0.000 0.295 180 V C -0.930 175.081 176.094 -0.139 0.000 1.026 180 V CA -0.652 61.622 62.300 -0.044 0.000 0.856 180 V CB 1.575 33.424 31.823 0.042 0.000 1.001 180 V HN 0.111 nan 8.190 nan 0.000 0.424 181 M N 6.686 126.166 119.600 -0.201 0.000 2.149 181 M HA 0.663 5.145 4.480 0.003 0.000 0.342 181 M C -1.254 174.778 176.300 -0.447 0.000 1.068 181 M CA -0.113 54.965 55.300 -0.369 0.000 0.991 181 M CB 1.508 33.863 32.600 -0.408 0.000 1.596 181 M HN 0.367 nan 8.290 nan 0.000 0.439 182 V N 6.494 126.114 119.914 -0.491 0.000 2.384 182 V HA 0.464 4.585 4.120 0.003 0.000 0.287 182 V C -1.085 174.773 176.094 -0.393 0.000 1.020 182 V CA -0.432 61.659 62.300 -0.348 0.000 0.850 182 V CB 1.066 32.729 31.823 -0.267 0.000 0.987 182 V HN 0.672 nan 8.190 nan 0.000 0.436 183 F N 4.264 124.241 119.950 0.045 0.000 2.313 183 F HA 0.354 4.882 4.527 0.003 0.000 0.369 183 F C -0.034 175.858 175.800 0.153 0.000 1.109 183 F CA -0.556 57.513 58.000 0.115 0.000 1.132 183 F CB 0.885 39.954 39.000 0.114 0.000 1.291 183 F HN 0.523 nan 8.300 nan 0.000 0.496 184 W N 4.825 126.229 121.300 0.174 0.000 2.288 184 W HA 0.496 5.158 4.660 0.003 0.000 0.325 184 W C 0.282 176.879 176.519 0.130 0.000 1.019 184 W CA -1.046 56.381 57.345 0.137 0.000 1.403 184 W CB 0.941 30.457 29.460 0.094 0.000 1.226 184 W HN 0.748 nan 8.180 nan 0.000 0.391 185 A N 3.973 127.041 122.820 0.413 0.000 2.925 185 A HA 0.059 4.381 4.320 0.003 0.000 0.265 185 A C -0.057 177.618 177.584 0.152 0.000 1.419 185 A CA 1.307 53.522 52.037 0.296 0.000 0.807 185 A CB -1.782 17.424 19.000 0.344 0.000 1.043 185 A HN 1.434 nan 8.150 nan 0.000 0.600 186 A N -0.567 122.343 122.820 0.150 0.000 2.422 186 A HA 0.688 5.010 4.320 0.003 0.000 0.302 186 A C -0.516 177.106 177.584 0.063 0.000 1.041 186 A CA 0.337 52.391 52.037 0.029 0.000 0.708 186 A CB 1.230 20.291 19.000 0.102 0.000 1.257 186 A HN 0.951 nan 8.150 nan 0.000 0.414 187 D N 3.106 123.510 120.400 0.006 0.000 2.513 187 D HA 0.329 4.971 4.640 0.003 0.000 0.295 187 D C -1.799 174.465 176.300 -0.060 0.000 1.202 187 D CA -1.686 52.309 54.000 -0.009 0.000 0.849 187 D CB 1.199 42.036 40.800 0.063 0.000 1.116 187 D HN 0.151 nan 8.370 nan 0.000 0.502 188 P HA -0.116 nan 4.420 nan 0.000 0.218 188 P C 1.826 178.977 177.300 -0.249 0.000 1.148 188 P CA 0.659 63.667 63.100 -0.153 0.000 0.822 188 P CB 0.646 32.222 31.700 -0.208 0.000 0.784 189 I N -0.053 120.375 120.570 -0.238 0.000 2.286 189 I HA -0.231 3.941 4.170 0.003 0.000 0.248 189 I C 2.745 178.817 176.117 -0.076 0.000 1.115 189 I CA 1.540 62.752 61.300 -0.146 0.000 1.392 189 I CB -0.401 37.564 38.000 -0.058 0.000 1.065 189 I HN -0.034 nan 8.210 nan 0.000 0.418 190 K N 0.605 120.909 120.400 -0.162 0.000 2.031 190 K HA -0.150 4.171 4.320 0.003 0.000 0.205 190 K C 1.992 178.394 176.600 -0.331 0.000 1.049 190 K CA 1.939 57.926 56.287 -0.500 0.000 0.939 190 K CB -0.064 32.241 32.500 -0.325 0.000 0.717 190 K HN 0.370 nan 8.250 nan 0.000 0.438 191 T N -2.028 112.440 114.554 -0.142 0.000 3.100 191 T HA 0.103 4.454 4.350 0.003 0.000 0.253 191 T C 1.458 176.156 174.700 -0.004 0.000 1.118 191 T CA 0.471 62.536 62.100 -0.058 0.000 1.058 191 T CB 0.277 69.165 68.868 0.032 0.000 0.953 191 T HN -0.014 nan 8.240 nan 0.000 0.515 192 S N 1.577 117.272 115.700 -0.009 0.000 2.603 192 S HA 0.091 4.563 4.470 0.003 0.000 0.220 192 S C 1.798 176.592 174.600 0.324 0.000 0.967 192 S CA -0.122 58.115 58.200 0.061 0.000 0.920 192 S CB -0.200 62.855 63.200 -0.241 0.000 0.773 192 S HN 0.605 nan 8.310 nan 0.000 0.529 193 Q N 0.527 120.478 119.800 0.251 0.000 2.230 193 Q HA 0.020 4.361 4.340 0.003 0.000 0.202 193 Q C 0.582 176.809 176.000 0.378 0.000 0.963 193 Q CA 0.710 56.687 55.803 0.290 0.000 0.866 193 Q CB -0.212 28.600 28.738 0.123 0.000 0.931 193 Q HN 0.702 nan 8.270 nan 0.000 0.452 194 I N -4.055 116.608 120.570 0.154 0.000 3.023 194 I HA 0.773 4.944 4.170 0.003 0.000 0.312 194 I C -0.157 176.012 176.117 0.087 0.000 1.056 194 I CA -1.021 60.309 61.300 0.051 0.000 1.033 194 I CB 2.018 39.882 38.000 -0.228 0.000 1.233 194 I HN -0.163 nan 8.210 nan 0.000 0.462 195 G N 1.139 110.026 108.800 0.145 0.000 2.612 195 G HA2 0.251 4.212 3.960 0.003 0.000 0.298 195 G HA3 0.251 4.212 3.960 0.003 0.000 0.298 195 G C -0.628 174.517 174.900 0.408 0.000 1.336 195 G CA -0.641 44.561 45.100 0.170 0.000 0.953 195 G HN 0.980 nan 8.290 nan 0.000 0.482 196 W N 1.869 123.213 121.300 0.074 0.000 2.380 196 W HA -0.018 4.643 4.660 0.002 0.000 0.317 196 W C 0.941 177.470 176.519 0.016 0.000 1.196 196 W CA 2.021 59.293 57.345 -0.121 0.000 1.307 196 W CB -0.027 29.275 29.460 -0.264 0.000 1.157 196 W HN 0.454 nan 8.180 nan 0.000 0.483 197 V N 0.343 120.251 119.914 -0.009 0.000 3.561 197 V HA 0.262 4.383 4.120 0.003 0.000 0.290 197 V C 0.693 176.766 176.094 -0.036 0.000 1.052 197 V CA -1.235 60.997 62.300 -0.113 0.000 0.973 197 V CB -0.045 31.743 31.823 -0.058 0.000 1.243 197 V HN -0.045 nan 8.190 nan 0.000 0.432 198 I N 2.569 123.110 120.570 -0.048 0.000 2.683 198 I HA 0.259 4.430 4.170 0.003 0.000 0.286 198 I C -2.043 174.073 176.117 -0.002 0.000 1.175 198 I CA -2.117 59.172 61.300 -0.018 0.000 1.429 198 I CB -0.401 37.568 38.000 -0.053 0.000 1.371 198 I HN 0.601 nan 8.210 nan 0.000 0.569 199 P HA 0.167 nan 4.420 nan 0.000 0.281 199 P C 0.039 177.253 177.300 -0.142 0.000 1.249 199 P CA -0.231 62.821 63.100 -0.081 0.000 0.810 199 P CB 1.229 32.833 31.700 -0.160 0.000 1.008 200 E N 1.541 121.711 120.200 -0.049 0.000 2.498 200 E HA -0.051 4.300 4.350 0.003 0.000 0.203 200 E C -0.169 176.500 176.600 0.115 0.000 1.013 200 E CA -0.082 56.360 56.400 0.070 0.000 0.927 200 E CB -0.993 28.808 29.700 0.170 0.000 1.012 200 E HN 0.603 nan 8.360 nan 0.000 0.482 201 H N -0.367 118.850 119.070 0.246 0.000 2.791 201 H HA -0.137 4.421 4.556 0.003 0.000 0.302 201 H C 1.195 176.672 175.328 0.247 0.000 1.198 201 H CA 0.004 56.235 56.048 0.305 0.000 1.145 201 H CB -1.637 28.330 29.762 0.342 0.000 1.385 201 H HN 0.436 nan 8.280 nan 0.000 0.409 202 G N 0.023 108.974 108.800 0.251 0.000 2.498 202 G HA2 -0.066 3.895 3.960 0.003 0.000 0.219 202 G HA3 -0.066 3.895 3.960 0.003 0.000 0.219 202 G C 1.692 176.587 174.900 -0.010 0.000 1.119 202 G CA 0.659 45.860 45.100 0.169 0.000 0.766 202 G HN 0.627 nan 8.290 nan 0.000 0.552 203 A N 0.160 122.936 122.820 -0.073 0.000 1.969 203 A HA 0.096 4.418 4.320 0.003 0.000 0.218 203 A C 2.078 179.201 177.584 -0.768 0.000 1.169 203 A CA 1.145 52.918 52.037 -0.440 0.000 0.635 203 A CB -0.462 18.338 19.000 -0.333 0.000 0.810 203 A HN 0.395 nan 8.150 nan 0.000 0.445 204 Y N 0.542 120.623 120.300 -0.365 0.000 2.114 204 Y HA -0.109 4.443 4.550 0.003 0.000 0.284 204 Y C -0.006 175.677 175.900 -0.363 0.000 1.143 204 Y CA 1.938 59.759 58.100 -0.465 0.000 1.135 204 Y CB -1.595 36.534 38.460 -0.552 0.000 0.980 204 Y HN 0.308 nan 8.280 nan 0.000 0.499 205 P HA -0.116 nan 4.420 nan 0.000 0.217 205 P C 1.784 178.940 177.300 -0.240 0.000 1.150 205 P CA 2.097 65.135 63.100 -0.104 0.000 0.832 205 P CB -0.310 31.373 31.700 -0.028 0.000 0.787 206 G N 0.413 108.862 108.800 -0.585 0.000 2.421 206 G HA2 -0.212 3.749 3.960 0.003 0.000 0.216 206 G HA3 -0.212 3.749 3.960 0.003 0.000 0.216 206 G C 1.645 176.102 174.900 -0.738 0.000 1.171 206 G CA 0.581 45.105 45.100 -0.960 0.000 0.775 206 G HN 0.230 nan 8.290 nan 0.000 0.543 207 L N -0.142 120.628 121.223 -0.756 0.000 2.056 207 L HA -0.009 4.333 4.340 0.003 0.000 0.207 207 L C 2.927 179.906 176.870 0.182 0.000 1.078 207 L CA 0.908 55.649 54.840 -0.165 0.000 0.749 207 L CB -0.319 41.513 42.059 -0.378 0.000 0.901 207 L HN 0.138 nan 8.230 nan 0.000 0.433 208 E N 0.282 120.534 120.200 0.085 0.000 2.110 208 E HA -0.213 4.139 4.350 0.003 0.000 0.193 208 E C 2.224 178.930 176.600 0.175 0.000 0.988 208 E CA 1.378 57.924 56.400 0.243 0.000 0.804 208 E CB -0.006 29.793 29.700 0.165 0.000 0.745 208 E HN 0.459 nan 8.360 nan 0.000 0.458 209 A N 0.989 123.875 122.820 0.109 0.000 1.930 209 A HA -0.122 4.200 4.320 0.003 0.000 0.217 209 A C 2.349 180.033 177.584 0.166 0.000 1.175 209 A CA 0.871 52.977 52.037 0.116 0.000 0.627 209 A CB -0.591 18.467 19.000 0.097 0.000 0.815 209 A HN 0.187 nan 8.150 nan 0.000 0.443 210 L N -0.641 120.722 121.223 0.234 0.000 2.046 210 L HA -0.205 4.137 4.340 0.003 0.000 0.208 210 L C 2.637 179.669 176.870 0.271 0.000 1.077 210 L CA 2.020 57.014 54.840 0.257 0.000 0.747 210 L CB -0.484 41.766 42.059 0.319 0.000 0.896 210 L HN 0.503 nan 8.230 nan 0.000 0.432 211 K N 0.572 121.208 120.400 0.393 0.000 2.097 211 K HA -0.128 4.193 4.320 0.003 0.000 0.205 211 K C 2.155 178.832 176.600 0.128 0.000 1.050 211 K CA 1.167 57.624 56.287 0.283 0.000 0.938 211 K CB -0.045 32.536 32.500 0.135 0.000 0.718 211 K HN 0.223 nan 8.250 nan 0.000 0.442 212 A N 1.465 124.354 122.820 0.115 0.000 1.972 212 A HA -0.114 4.208 4.320 0.003 0.000 0.219 212 A C 1.801 179.427 177.584 0.069 0.000 1.169 212 A CA 1.296 53.377 52.037 0.073 0.000 0.635 212 A CB -0.268 18.774 19.000 0.070 0.000 0.810 212 A HN 0.190 nan 8.150 nan 0.000 0.446 213 K N -1.256 119.194 120.400 0.083 0.000 2.432 213 K HA 0.043 4.365 4.320 0.003 0.000 0.196 213 K C 1.092 177.726 176.600 0.057 0.000 1.038 213 K CA 0.741 57.068 56.287 0.067 0.000 0.986 213 K CB -0.299 32.245 32.500 0.073 0.000 0.782 213 K HN 0.771 nan 8.250 nan 0.000 0.485 214 G N 2.325 111.165 108.800 0.066 0.000 2.198 214 G HA2 -0.236 3.726 3.960 0.003 0.000 0.257 214 G HA3 -0.236 3.726 3.960 0.003 0.000 0.257 214 G C 0.174 175.098 174.900 0.041 0.000 1.042 214 G CA 0.500 45.632 45.100 0.052 0.000 0.791 214 G HN 0.233 nan 8.290 nan 0.000 0.502 215 T N -0.015 114.564 114.554 0.042 0.000 2.900 215 T HA 0.367 4.718 4.350 0.003 0.000 0.307 215 T C 0.828 175.518 174.700 -0.017 0.000 1.065 215 T CA 0.566 62.672 62.100 0.009 0.000 1.105 215 T CB 0.905 69.777 68.868 0.006 0.000 0.979 215 T HN 0.567 nan 8.240 nan 0.000 0.544 216 K N 2.614 123.000 120.400 -0.023 0.000 2.379 216 K HA 0.288 4.610 4.320 0.003 0.000 0.284 216 K C -1.224 175.328 176.600 -0.080 0.000 1.044 216 K CA -0.098 56.174 56.287 -0.025 0.000 0.974 216 K CB 0.077 32.578 32.500 0.001 0.000 0.962 216 K HN 0.271 nan 8.250 nan 0.000 0.474 217 V N 6.581 126.438 119.914 -0.095 0.000 2.540 217 V HA 0.510 4.632 4.120 0.003 0.000 0.302 217 V C -0.265 175.802 176.094 -0.044 0.000 1.035 217 V CA -0.791 61.405 62.300 -0.173 0.000 0.873 217 V CB 1.418 32.976 31.823 -0.441 0.000 0.992 217 V HN 0.694 nan 8.190 nan 0.000 0.428 218 I N 4.283 124.837 120.570 -0.026 0.000 2.498 218 I HA 0.551 4.722 4.170 0.003 0.000 0.290 218 I C -0.862 175.301 176.117 0.077 0.000 1.032 218 I CA -0.778 60.545 61.300 0.039 0.000 1.073 218 I CB 2.336 40.370 38.000 0.055 0.000 1.251 218 I HN 0.284 nan 8.210 nan 0.000 0.426 219 V N 7.217 127.207 119.914 0.126 0.000 2.409 219 V HA 0.447 4.569 4.120 0.003 0.000 0.291 219 V C -0.074 176.100 176.094 0.133 0.000 1.020 219 V CA -0.444 61.958 62.300 0.170 0.000 0.848 219 V CB 1.903 33.831 31.823 0.174 0.000 0.990 219 V HN 0.468 nan 8.190 nan 0.000 0.430 220 I N 4.807 125.374 120.570 -0.005 0.000 2.347 220 I HA 0.522 4.694 4.170 0.003 0.000 0.283 220 I C -0.702 175.431 176.117 0.026 0.000 1.058 220 I CA 0.181 61.389 61.300 -0.153 0.000 1.202 220 I CB 0.809 38.358 38.000 -0.752 0.000 1.386 220 I HN 0.574 nan 8.210 nan 0.000 0.475 221 D N 8.282 128.772 120.400 0.150 0.000 2.836 221 D HA 0.184 4.825 4.640 0.003 0.000 0.215 221 D C -2.326 174.116 176.300 0.237 0.000 1.255 221 D CA -1.202 52.923 54.000 0.209 0.000 0.822 221 D CB 3.349 44.296 40.800 0.245 0.000 1.656 221 D HN 0.064 nan 8.370 nan 0.000 0.511 222 P HA -0.029 nan 4.420 nan 0.000 0.223 222 P C 0.520 177.926 177.300 0.177 0.000 1.151 222 P CA 0.375 63.539 63.100 0.107 0.000 0.787 222 P CB 0.651 32.393 31.700 0.070 0.000 0.788 223 V N 1.095 121.155 119.914 0.243 0.000 2.513 223 V HA 0.293 4.414 4.120 0.003 0.000 0.299 223 V C 0.832 177.076 176.094 0.250 0.000 1.035 223 V CA -0.988 61.450 62.300 0.230 0.000 0.889 223 V CB 1.986 33.916 31.823 0.178 0.000 0.988 223 V HN -0.109 nan 8.190 nan 0.000 0.440 224 R N 3.139 123.774 120.500 0.225 0.000 2.441 224 R HA 0.216 4.558 4.340 0.003 0.000 0.300 224 R C 0.502 176.804 176.300 0.004 0.000 1.284 224 R CA -0.083 56.021 56.100 0.007 0.000 1.069 224 R CB -0.017 30.345 30.300 0.103 0.000 1.087 224 R HN 0.985 nan 8.270 nan 0.000 0.519 225 T N -0.279 114.265 114.554 -0.017 0.000 2.810 225 T HA 0.183 4.534 4.350 0.003 0.000 0.277 225 T C 1.147 175.896 174.700 0.083 0.000 0.973 225 T CA -0.736 61.413 62.100 0.081 0.000 0.949 225 T CB 1.067 70.003 68.868 0.112 0.000 1.075 225 T HN 0.372 nan 8.240 nan 0.000 0.537 226 K N 0.035 120.527 120.400 0.153 0.000 2.283 226 K HA -0.061 4.261 4.320 0.003 0.000 0.202 226 K C 2.346 179.025 176.600 0.133 0.000 1.048 226 K CA 1.131 57.510 56.287 0.153 0.000 0.948 226 K CB -0.747 31.902 32.500 0.249 0.000 0.742 226 K HN 0.625 nan 8.250 nan 0.000 0.458 227 T N 1.496 116.109 114.554 0.099 0.000 2.746 227 T HA -0.092 4.260 4.350 0.003 0.000 0.267 227 T C 2.135 176.968 174.700 0.222 0.000 1.039 227 T CA 1.112 63.270 62.100 0.096 0.000 1.142 227 T CB -0.158 68.702 68.868 -0.012 0.000 0.866 227 T HN -0.064 nan 8.240 nan 0.000 0.444 228 V N 1.098 121.080 119.914 0.113 0.000 2.295 228 V HA -0.172 3.950 4.120 0.003 0.000 0.246 228 V C 2.514 178.682 176.094 0.123 0.000 1.049 228 V CA 1.804 64.151 62.300 0.079 0.000 1.024 228 V CB -0.577 31.144 31.823 -0.170 0.000 0.648 228 V HN 0.433 nan 8.190 nan 0.000 0.447 229 E N -0.499 119.757 120.200 0.093 0.000 2.058 229 E HA -0.245 4.106 4.350 0.003 0.000 0.194 229 E C 1.935 178.590 176.600 0.090 0.000 0.997 229 E CA 1.674 58.125 56.400 0.084 0.000 0.801 229 E CB -0.321 29.424 29.700 0.074 0.000 0.746 229 E HN 0.555 nan 8.360 nan 0.000 0.450 230 F N -0.463 119.452 119.950 -0.058 0.000 2.120 230 F HA -0.205 4.323 4.527 0.003 0.000 0.300 230 F C 1.479 177.156 175.800 -0.205 0.000 1.095 230 F CA 1.404 59.292 58.000 -0.188 0.000 1.249 230 F CB -0.094 38.679 39.000 -0.378 0.000 0.995 230 F HN 0.027 nan 8.300 nan 0.000 0.480 231 F N 0.203 120.145 119.950 -0.014 0.000 2.619 231 F HA 0.312 4.840 4.527 0.003 0.000 0.293 231 F C 1.935 177.700 175.800 -0.059 0.000 1.119 231 F CA 0.596 58.544 58.000 -0.087 0.000 1.445 231 F CB -0.631 38.433 39.000 0.107 0.000 1.119 231 F HN 0.039 nan 8.300 nan 0.000 0.573 232 G N 1.230 110.120 108.800 0.150 0.000 2.295 232 G HA2 -0.111 3.851 3.960 0.003 0.000 0.287 232 G HA3 -0.111 3.851 3.960 0.003 0.000 0.287 232 G C 0.395 175.374 174.900 0.133 0.000 1.055 232 G CA -0.030 45.130 45.100 0.100 0.000 0.922 232 G HN 0.628 nan 8.290 nan 0.000 0.503 233 A N -0.578 122.353 122.820 0.184 0.000 2.406 233 A HA 0.585 4.907 4.320 0.003 0.000 0.243 233 A C 0.733 178.390 177.584 0.121 0.000 1.082 233 A CA 0.540 52.668 52.037 0.152 0.000 0.786 233 A CB 0.343 19.454 19.000 0.185 0.000 1.029 233 A HN 0.914 nan 8.150 nan 0.000 0.495 234 E N 0.295 120.553 120.200 0.098 0.000 2.376 234 E HA 0.082 4.434 4.350 0.003 0.000 0.266 234 E C -0.420 176.274 176.600 0.156 0.000 1.009 234 E CA 0.076 56.534 56.400 0.098 0.000 0.902 234 E CB 0.195 29.930 29.700 0.058 0.000 0.972 234 E HN 0.709 nan 8.360 nan 0.000 0.439 235 H N 6.231 125.317 119.070 0.027 0.000 2.638 235 H HA 0.246 4.803 4.556 0.003 0.000 0.317 235 H C -0.743 174.581 175.328 -0.006 0.000 1.006 235 H CA -1.177 54.886 56.048 0.025 0.000 1.222 235 H CB 0.562 30.352 29.762 0.047 0.000 1.419 235 H HN 0.396 nan 8.280 nan 0.000 0.489 236 I N 5.219 125.782 120.570 -0.012 0.000 2.331 236 I HA 0.067 4.239 4.170 0.003 0.000 0.292 236 I C 0.639 176.610 176.117 -0.243 0.000 0.998 236 I CA -0.473 60.737 61.300 -0.151 0.000 1.267 236 I CB 1.148 39.062 38.000 -0.144 0.000 1.386 236 I HN 0.605 nan 8.210 nan 0.000 0.476 237 T N 4.678 119.063 114.554 -0.281 0.000 3.053 237 T HA 0.489 4.840 4.350 0.003 0.000 0.363 237 T C -2.392 172.237 174.700 -0.118 0.000 1.239 237 T CA -1.741 60.224 62.100 -0.223 0.000 1.071 237 T CB 0.937 69.641 68.868 -0.274 0.000 1.089 237 T HN 0.332 nan 8.240 nan 0.000 0.527 238 P HA 0.330 nan 4.420 nan 0.000 0.277 238 P C -0.378 176.895 177.300 -0.045 0.000 1.240 238 P CA -0.715 62.357 63.100 -0.048 0.000 0.798 238 P CB 1.081 32.786 31.700 0.007 0.000 0.979 239 K N 2.743 123.109 120.400 -0.056 0.000 2.451 239 K HA 0.152 4.473 4.320 0.003 0.000 0.280 239 K C -2.080 174.478 176.600 -0.070 0.000 1.020 239 K CA -1.196 55.055 56.287 -0.059 0.000 1.008 239 K CB -0.688 31.783 32.500 -0.048 0.000 0.917 239 K HN 0.365 nan 8.250 nan 0.000 0.478 240 P HA -0.118 nan 4.420 nan 0.000 0.265 240 P C -0.759 176.472 177.300 -0.115 0.000 1.187 240 P CA 0.572 63.505 63.100 -0.277 0.000 0.766 240 P CB 0.455 31.576 31.700 -0.966 0.000 0.820 241 Q N -0.866 118.953 119.800 0.031 0.000 2.466 241 Q HA -0.168 4.173 4.340 0.003 0.000 0.248 241 Q C 0.293 176.470 176.000 0.295 0.000 0.791 241 Q CA 1.348 57.254 55.803 0.172 0.000 1.225 241 Q CB -2.829 26.026 28.738 0.196 0.000 1.418 241 Q HN 0.716 nan 8.270 nan 0.000 0.662 242 T N -4.793 109.888 114.554 0.211 0.000 3.132 242 T HA 0.110 4.462 4.350 0.003 0.000 0.274 242 T C 0.783 175.564 174.700 0.135 0.000 1.011 242 T CA 0.108 62.297 62.100 0.149 0.000 0.899 242 T CB 0.335 69.163 68.868 -0.066 0.000 1.089 242 T HN 0.119 nan 8.240 nan 0.000 0.543 243 D N 1.776 122.316 120.400 0.233 0.000 2.123 243 D HA -0.098 4.544 4.640 0.003 0.000 0.196 243 D C 2.016 178.458 176.300 0.237 0.000 0.992 243 D CA 1.059 55.241 54.000 0.302 0.000 0.833 243 D CB 0.102 41.111 40.800 0.349 0.000 0.954 243 D HN 0.293 nan 8.370 nan 0.000 0.455 244 V N 1.858 121.913 119.914 0.236 0.000 2.407 244 V HA -0.250 3.872 4.120 0.003 0.000 0.248 244 V C 2.654 178.919 176.094 0.284 0.000 1.055 244 V CA 1.719 64.173 62.300 0.257 0.000 1.049 244 V CB -0.725 31.317 31.823 0.366 0.000 0.662 244 V HN 0.172 nan 8.190 nan 0.000 0.455 245 A N 0.083 122.989 122.820 0.142 0.000 1.883 245 A HA -0.214 4.107 4.320 0.003 0.000 0.217 245 A C 2.177 179.796 177.584 0.058 0.000 1.186 245 A CA 2.125 54.097 52.037 -0.110 0.000 0.624 245 A CB -0.568 17.868 19.000 -0.941 0.000 0.822 245 A HN 0.520 nan 8.150 nan 0.000 0.444 246 I N -0.946 119.667 120.570 0.072 0.000 2.226 246 I HA -0.314 3.858 4.170 0.003 0.000 0.245 246 I C 2.741 179.024 176.117 0.277 0.000 1.100 246 I CA 1.665 63.064 61.300 0.165 0.000 1.374 246 I CB -0.350 37.795 38.000 0.243 0.000 1.057 246 I HN 0.357 nan 8.210 nan 0.000 0.413 247 M N 0.048 119.828 119.600 0.299 0.000 2.117 247 M HA -0.202 4.280 4.480 0.003 0.000 0.262 247 M C 2.371 178.822 176.300 0.251 0.000 1.065 247 M CA 1.810 57.265 55.300 0.258 0.000 1.114 247 M CB -0.361 32.284 32.600 0.075 0.000 1.361 247 M HN 0.218 nan 8.290 nan 0.000 0.408 248 L N -0.305 121.086 121.223 0.280 0.000 2.012 248 L HA -0.174 4.167 4.340 0.003 0.000 0.210 248 L C 2.694 179.715 176.870 0.252 0.000 1.073 248 L CA 1.487 56.502 54.840 0.293 0.000 0.748 248 L CB -1.329 40.938 42.059 0.348 0.000 0.891 248 L HN 0.435 nan 8.230 nan 0.000 0.431 249 G N -0.358 108.607 108.800 0.275 0.000 2.469 249 G HA2 -0.299 3.663 3.960 0.003 0.000 0.219 249 G HA3 -0.299 3.663 3.960 0.003 0.000 0.219 249 G C 1.599 176.617 174.900 0.197 0.000 1.150 249 G CA 0.973 46.206 45.100 0.221 0.000 0.763 249 G HN 0.235 nan 8.290 nan 0.000 0.561 250 M N 0.587 120.308 119.600 0.201 0.000 2.123 250 M HA 0.083 4.565 4.480 0.003 0.000 0.263 250 M C 3.092 179.500 176.300 0.180 0.000 1.069 250 M CA 1.290 56.697 55.300 0.179 0.000 1.133 250 M CB -0.223 32.520 32.600 0.238 0.000 1.356 250 M HN 0.295 nan 8.290 nan 0.000 0.415 251 A N -0.356 122.586 122.820 0.204 0.000 1.902 251 A HA -0.236 4.086 4.320 0.003 0.000 0.217 251 A C 2.068 179.731 177.584 0.131 0.000 1.181 251 A CA 1.824 53.972 52.037 0.184 0.000 0.623 251 A CB -1.291 17.864 19.000 0.259 0.000 0.818 251 A HN 0.577 nan 8.150 nan 0.000 0.443 252 H N 0.151 119.250 119.070 0.048 0.000 2.319 252 H HA -0.127 4.431 4.556 0.003 0.000 0.299 252 H C 1.974 177.313 175.328 0.019 0.000 1.092 252 H CA 2.187 58.226 56.048 -0.015 0.000 1.302 252 H CB -0.325 29.404 29.762 -0.055 0.000 1.373 252 H HN 0.429 nan 8.280 nan 0.000 0.497 253 T N 1.816 116.465 114.554 0.159 0.000 2.720 253 T HA -0.107 4.244 4.350 0.003 0.000 0.268 253 T C 2.447 177.173 174.700 0.045 0.000 1.037 253 T CA 1.276 63.437 62.100 0.102 0.000 1.144 253 T CB -0.282 68.651 68.868 0.108 0.000 0.864 253 T HN 0.258 nan 8.240 nan 0.000 0.444 254 L N 0.587 121.856 121.223 0.076 0.000 2.141 254 L HA -0.059 4.283 4.340 0.003 0.000 0.209 254 L C 2.584 179.565 176.870 0.185 0.000 1.094 254 L CA 0.709 55.628 54.840 0.131 0.000 0.763 254 L CB -0.619 41.541 42.059 0.169 0.000 0.908 254 L HN 0.165 nan 8.230 nan 0.000 0.437 255 V N -0.098 119.853 119.914 0.060 0.000 2.346 255 V HA -0.177 3.945 4.120 0.003 0.000 0.244 255 V C 2.754 178.849 176.094 0.003 0.000 1.037 255 V CA 1.611 63.962 62.300 0.085 0.000 1.029 255 V CB -0.703 31.070 31.823 -0.084 0.000 0.663 255 V HN 0.433 nan 8.190 nan 0.000 0.454 256 A N -0.128 122.593 122.820 -0.164 0.000 1.908 256 A HA -0.251 4.070 4.320 0.003 0.000 0.218 256 A C 1.985 179.554 177.584 -0.024 0.000 1.181 256 A CA 1.998 53.953 52.037 -0.136 0.000 0.627 256 A CB -0.422 18.486 19.000 -0.153 0.000 0.818 256 A HN 0.665 nan 8.150 nan 0.000 0.445 257 E N -1.140 119.063 120.200 0.007 0.000 2.465 257 E HA 0.102 4.454 4.350 0.003 0.000 0.191 257 E C -0.374 176.246 176.600 0.034 0.000 1.053 257 E CA 0.219 56.632 56.400 0.022 0.000 0.869 257 E CB 0.057 29.773 29.700 0.026 0.000 0.977 257 E HN 0.535 nan 8.360 nan 0.000 0.483 258 D N 0.385 120.820 120.400 0.058 0.000 2.689 258 D HA -0.201 4.441 4.640 0.003 0.000 0.237 258 D C 0.183 176.495 176.300 0.020 0.000 1.148 258 D CA 0.467 54.497 54.000 0.050 0.000 0.656 258 D CB -0.996 39.810 40.800 0.011 0.000 1.050 258 D HN 0.283 nan 8.370 nan 0.000 0.426 259 L N -0.341 120.928 121.223 0.077 0.000 2.575 259 L HA 0.124 4.466 4.340 0.003 0.000 0.228 259 L C 1.266 178.171 176.870 0.058 0.000 1.075 259 L CA -0.428 54.444 54.840 0.052 0.000 0.867 259 L CB -0.226 41.880 42.059 0.079 0.000 1.097 259 L HN 0.313 nan 8.230 nan 0.000 0.485 260 Y N -0.543 119.768 120.300 0.017 0.000 2.426 260 Y HA 0.107 4.659 4.550 0.003 0.000 0.344 260 Y C 0.359 176.260 175.900 0.001 0.000 1.256 260 Y CA -1.119 56.985 58.100 0.008 0.000 1.451 260 Y CB -0.069 38.391 38.460 -0.001 0.000 1.342 260 Y HN -0.111 nan 8.280 nan 0.000 0.600 261 D N 2.628 123.061 120.400 0.055 0.000 2.470 261 D HA 0.049 4.691 4.640 0.003 0.000 0.226 261 D C 0.388 176.674 176.300 -0.023 0.000 1.196 261 D CA 0.068 54.069 54.000 0.001 0.000 0.979 261 D CB 0.327 41.190 40.800 0.106 0.000 1.059 261 D HN 0.733 nan 8.370 nan 0.000 0.515 262 K N 1.572 121.811 120.400 -0.268 0.000 2.103 262 K HA -0.148 4.173 4.320 0.003 0.000 0.207 262 K C 1.037 177.624 176.600 -0.022 0.000 1.048 262 K CA 0.951 57.121 56.287 -0.195 0.000 0.930 262 K CB 0.324 32.660 32.500 -0.274 0.000 0.716 262 K HN 0.357 nan 8.250 nan 0.000 0.444 263 D N 0.392 120.796 120.400 0.007 0.000 2.117 263 D HA -0.132 4.509 4.640 0.003 0.000 0.198 263 D C 1.691 178.046 176.300 0.093 0.000 0.982 263 D CA 0.810 54.829 54.000 0.031 0.000 0.828 263 D CB -0.236 40.586 40.800 0.036 0.000 0.967 263 D HN 0.075 nan 8.370 nan 0.000 0.464 264 F N 1.680 121.684 119.950 0.089 0.000 2.102 264 F HA -0.204 4.325 4.527 0.003 0.000 0.298 264 F C 2.139 178.054 175.800 0.193 0.000 1.105 264 F CA 1.072 59.196 58.000 0.206 0.000 1.239 264 F CB -0.080 38.984 39.000 0.108 0.000 0.991 264 F HN -0.175 nan 8.300 nan 0.000 0.474 265 I N 0.911 121.641 120.570 0.267 0.000 2.163 265 I HA -0.306 3.865 4.170 0.003 0.000 0.243 265 I C 2.749 178.882 176.117 0.025 0.000 1.085 265 I CA 1.626 63.002 61.300 0.126 0.000 1.347 265 I CB -2.175 35.819 38.000 -0.009 0.000 1.044 265 I HN 0.265 nan 8.210 nan 0.000 0.408 266 A N 0.629 123.449 122.820 0.001 0.000 1.969 266 A HA -0.166 4.155 4.320 0.003 0.000 0.218 266 A C 2.015 179.520 177.584 -0.132 0.000 1.169 266 A CA 1.630 53.648 52.037 -0.033 0.000 0.635 266 A CB -0.461 18.521 19.000 -0.029 0.000 0.810 266 A HN 0.459 nan 8.150 nan 0.000 0.445 267 N N -2.324 116.213 118.700 -0.272 0.000 2.388 267 N HA 0.081 4.823 4.740 0.003 0.000 0.176 267 N C 0.253 175.303 175.510 -0.766 0.000 1.062 267 N CA 0.792 53.512 53.050 -0.550 0.000 0.895 267 N CB 0.107 38.147 38.487 -0.745 0.000 1.018 267 N HN 0.616 nan 8.380 nan 0.000 0.456 268 Y N -0.319 119.722 120.300 -0.431 0.000 2.527 268 Y HA 0.212 4.763 4.550 0.003 0.000 0.247 268 Y C 0.889 176.780 175.900 -0.015 0.000 1.138 268 Y CA -0.381 57.498 58.100 -0.368 0.000 1.228 268 Y CB 0.548 38.403 38.460 -1.008 0.000 1.252 268 Y HN -0.125 nan 8.280 nan 0.000 0.531 269 T N -2.990 111.620 114.554 0.093 0.000 2.907 269 T HA 0.705 5.057 4.350 0.003 0.000 0.290 269 T C -0.556 174.236 174.700 0.153 0.000 1.066 269 T CA -0.918 61.290 62.100 0.180 0.000 1.012 269 T CB 2.184 71.184 68.868 0.219 0.000 1.184 269 T HN -0.102 nan 8.240 nan 0.000 0.522 270 S N -0.968 114.843 115.700 0.185 0.000 2.571 270 S HA 0.623 5.094 4.470 0.003 0.000 0.284 270 S C 0.840 175.578 174.600 0.229 0.000 1.128 270 S CA 0.500 58.805 58.200 0.176 0.000 0.970 270 S CB 0.663 63.951 63.200 0.148 0.000 1.039 270 S HN 2.413 nan 8.310 nan 0.000 0.485 271 G N 3.366 112.293 108.800 0.211 0.000 2.157 271 G HA2 -0.271 3.691 3.960 0.003 0.000 0.239 271 G HA3 -0.271 3.691 3.960 0.003 0.000 0.239 271 G C 0.530 175.586 174.900 0.259 0.000 0.982 271 G CA 0.381 45.618 45.100 0.228 0.000 0.650 271 G HN 0.968 nan 8.290 nan 0.000 0.527 272 F N 2.626 122.658 119.950 0.137 0.000 2.216 272 F HA -0.026 4.502 4.527 0.003 0.000 0.300 272 F C 2.317 178.197 175.800 0.133 0.000 1.085 272 F CA 2.204 60.299 58.000 0.158 0.000 1.326 272 F CB 0.072 39.162 39.000 0.150 0.000 1.027 272 F HN 0.291 nan 8.300 nan 0.000 0.497 273 D N -0.119 120.353 120.400 0.119 0.000 2.310 273 D HA -0.182 4.460 4.640 0.003 0.000 0.212 273 D C 1.427 177.652 176.300 -0.125 0.000 0.965 273 D CA 1.137 55.124 54.000 -0.022 0.000 0.879 273 D CB -0.707 40.121 40.800 0.046 0.000 0.921 273 D HN 0.368 nan 8.370 nan 0.000 0.510 274 K N -1.233 119.093 120.400 -0.123 0.000 2.379 274 K HA 0.109 4.431 4.320 0.003 0.000 0.194 274 K C 1.178 177.701 176.600 -0.128 0.000 1.031 274 K CA -0.021 56.152 56.287 -0.190 0.000 1.037 274 K CB 0.098 32.306 32.500 -0.487 0.000 0.824 274 K HN 0.124 nan 8.250 nan 0.000 0.516 275 F N 0.853 120.589 119.950 -0.357 0.000 2.505 275 F HA 0.099 4.627 4.527 0.003 0.000 0.289 275 F C 1.600 177.083 175.800 -0.529 0.000 1.101 275 F CA -0.021 57.645 58.000 -0.557 0.000 1.446 275 F CB 0.049 38.782 39.000 -0.445 0.000 1.123 275 F HN -0.168 nan 8.300 nan 0.000 0.564 276 L N 2.182 122.958 121.223 -0.746 0.000 2.013 276 L HA -0.090 4.252 4.340 0.003 0.000 0.212 276 L C -0.838 175.713 176.870 -0.530 0.000 1.073 276 L CA 2.380 56.752 54.840 -0.780 0.000 0.753 276 L CB -1.875 39.785 42.059 -0.664 0.000 0.890 276 L HN 0.009 nan 8.230 nan 0.000 0.432 277 P HA -0.238 nan 4.420 nan 0.000 0.215 277 P C 1.472 178.610 177.300 -0.270 0.000 1.153 277 P CA 1.604 64.555 63.100 -0.249 0.000 0.853 277 P CB -0.354 31.250 31.700 -0.159 0.000 0.788 278 Y N 0.586 120.630 120.300 -0.428 0.000 2.181 278 Y HA -0.167 4.384 4.550 0.003 0.000 0.288 278 Y C 2.155 177.762 175.900 -0.488 0.000 1.146 278 Y CA 1.121 58.986 58.100 -0.393 0.000 1.164 278 Y CB -1.090 37.141 38.460 -0.381 0.000 0.982 278 Y HN -0.226 nan 8.280 nan 0.000 0.515 279 L N 0.677 121.400 121.223 -0.834 0.000 2.046 279 L HA -0.199 4.142 4.340 0.003 0.000 0.208 279 L C 1.584 178.167 176.870 -0.479 0.000 1.077 279 L CA 2.210 56.583 54.840 -0.777 0.000 0.747 279 L CB -0.838 40.740 42.059 -0.803 0.000 0.896 279 L HN 0.176 nan 8.230 nan 0.000 0.432 280 D N -0.315 119.862 120.400 -0.372 0.000 2.363 280 D HA 0.126 4.768 4.640 0.003 0.000 0.220 280 D C 1.566 177.724 176.300 -0.238 0.000 0.994 280 D CA 0.986 54.861 54.000 -0.208 0.000 0.890 280 D CB 0.013 40.703 40.800 -0.184 0.000 0.906 280 D HN 0.502 nan 8.370 nan 0.000 0.530 281 G N 1.240 109.828 108.800 -0.353 0.000 2.147 281 G HA2 -0.332 3.630 3.960 0.003 0.000 0.244 281 G HA3 -0.332 3.630 3.960 0.003 0.000 0.244 281 G C 0.861 175.640 174.900 -0.202 0.000 1.005 281 G CA 0.379 45.283 45.100 -0.326 0.000 0.713 281 G HN 0.376 nan 8.290 nan 0.000 0.515 282 E N -0.443 119.653 120.200 -0.173 0.000 2.216 282 E HA -0.045 4.307 4.350 0.003 0.000 0.192 282 E C 2.611 179.163 176.600 -0.079 0.000 0.988 282 E CA 1.404 57.736 56.400 -0.113 0.000 0.834 282 E CB -0.076 29.559 29.700 -0.108 0.000 0.772 282 E HN 0.695 nan 8.360 nan 0.000 0.479 283 T N -0.437 114.075 114.554 -0.070 0.000 3.043 283 T HA -0.072 4.280 4.350 0.003 0.000 0.263 283 T C 0.972 175.666 174.700 -0.009 0.000 1.094 283 T CA 1.145 63.239 62.100 -0.011 0.000 1.127 283 T CB 0.001 68.911 68.868 0.070 0.000 0.905 283 T HN 0.124 nan 8.240 nan 0.000 0.490 284 D N -0.546 119.823 120.400 -0.051 0.000 2.651 284 D HA 0.191 4.833 4.640 0.003 0.000 0.280 284 D C 0.313 176.570 176.300 -0.072 0.000 1.496 284 D CA -0.119 53.857 54.000 -0.040 0.000 0.792 284 D CB -0.461 40.334 40.800 -0.008 0.000 1.144 284 D HN 0.179 nan 8.370 nan 0.000 0.470 285 S N -0.993 114.652 115.700 -0.092 0.000 3.445 285 S HA -0.169 4.303 4.470 0.003 0.000 0.319 285 S C 0.154 174.677 174.600 -0.129 0.000 1.209 285 S CA 1.246 59.390 58.200 -0.092 0.000 0.934 285 S CB -2.402 60.766 63.200 -0.053 0.000 0.999 285 S HN 0.555 nan 8.310 nan 0.000 0.582 286 T N 1.764 116.191 114.554 -0.211 0.000 3.226 286 T HA 0.428 4.780 4.350 0.003 0.000 0.378 286 T C -2.869 171.524 174.700 -0.512 0.000 1.380 286 T CA -1.278 60.635 62.100 -0.312 0.000 1.396 286 T CB 1.349 70.034 68.868 -0.306 0.000 1.044 286 T HN -0.064 nan 8.240 nan 0.000 0.586 287 P HA 0.077 nan 4.420 nan 0.000 0.264 287 P C 0.134 176.994 177.300 -0.734 0.000 1.183 287 P CA -0.375 62.451 63.100 -0.457 0.000 0.763 287 P CB 0.528 32.056 31.700 -0.285 0.000 0.807 288 K N 2.101 122.012 120.400 -0.816 0.000 3.006 288 K HA 0.099 4.421 4.320 0.003 0.000 0.265 288 K C 0.644 176.922 176.600 -0.537 0.000 1.279 288 K CA 0.130 55.835 56.287 -0.969 0.000 1.229 288 K CB -1.371 30.623 32.500 -0.844 0.000 1.555 288 K HN 0.510 nan 8.250 nan 0.000 0.300 289 T N -3.022 111.172 114.554 -0.601 0.000 2.748 289 T HA 0.203 4.554 4.350 0.003 0.000 0.304 289 T C 1.610 176.296 174.700 -0.024 0.000 1.041 289 T CA -0.008 61.780 62.100 -0.521 0.000 1.033 289 T CB 1.078 69.729 68.868 -0.361 0.000 0.995 289 T HN 0.228 nan 8.240 nan 0.000 0.536 290 A N 0.481 123.302 122.820 0.003 0.000 1.972 290 A HA -0.018 4.303 4.320 0.003 0.000 0.219 290 A C 2.213 179.803 177.584 0.010 0.000 1.169 290 A CA 1.536 53.598 52.037 0.042 0.000 0.635 290 A CB -0.945 18.079 19.000 0.039 0.000 0.810 290 A HN 0.906 nan 8.150 nan 0.000 0.446 291 E N -1.326 118.876 120.200 0.004 0.000 2.072 291 E HA -0.156 4.196 4.350 0.003 0.000 0.190 291 E C 1.546 178.142 176.600 -0.006 0.000 0.982 291 E CA 1.191 57.584 56.400 -0.012 0.000 0.803 291 E CB -0.394 29.302 29.700 -0.008 0.000 0.755 291 E HN 0.855 nan 8.360 nan 0.000 0.453 292 W N 1.266 122.467 121.300 -0.165 0.000 2.363 292 W HA -0.163 4.499 4.660 0.003 0.000 0.296 292 W C 2.083 178.483 176.519 -0.198 0.000 1.212 292 W CA 2.107 59.344 57.345 -0.181 0.000 1.260 292 W CB -0.225 29.104 29.460 -0.219 0.000 1.131 292 W HN 0.048 nan 8.180 nan 0.000 0.530 293 A N -0.083 122.631 122.820 -0.178 0.000 1.970 293 A HA -0.156 4.165 4.320 0.003 0.000 0.216 293 A C 1.983 179.327 177.584 -0.400 0.000 1.170 293 A CA 1.550 53.306 52.037 -0.470 0.000 0.645 293 A CB -0.928 18.020 19.000 -0.087 0.000 0.816 293 A HN 0.531 nan 8.150 nan 0.000 0.447 294 E N -0.068 119.989 120.200 -0.238 0.000 2.110 294 E HA -0.131 4.221 4.350 0.003 0.000 0.193 294 E C 1.985 178.440 176.600 -0.243 0.000 0.988 294 E CA 1.096 57.379 56.400 -0.195 0.000 0.804 294 E CB -0.401 29.227 29.700 -0.120 0.000 0.745 294 E HN 0.493 nan 8.360 nan 0.000 0.458 295 G N 0.743 109.366 108.800 -0.295 0.000 2.422 295 G HA2 -0.211 3.750 3.960 0.003 0.000 0.218 295 G HA3 -0.211 3.750 3.960 0.003 0.000 0.218 295 G C 1.485 176.179 174.900 -0.343 0.000 1.146 295 G CA 0.814 45.748 45.100 -0.276 0.000 0.769 295 G HN 0.210 nan 8.290 nan 0.000 0.547 296 I N 1.209 121.442 120.570 -0.562 0.000 2.277 296 I HA -0.062 4.109 4.170 0.003 0.000 0.243 296 I C 3.053 178.944 176.117 -0.376 0.000 1.094 296 I CA 1.669 62.629 61.300 -0.566 0.000 1.393 296 I CB -0.018 37.354 38.000 -1.046 0.000 1.078 296 I HN 0.292 nan 8.210 nan 0.000 0.417 297 S N -0.304 115.177 115.700 -0.365 0.000 2.458 297 S HA 0.180 4.652 4.470 0.003 0.000 0.223 297 S C 1.893 176.401 174.600 -0.154 0.000 1.019 297 S CA 0.636 58.700 58.200 -0.226 0.000 0.937 297 S CB 0.154 63.233 63.200 -0.202 0.000 0.788 297 S HN 0.583 nan 8.310 nan 0.000 0.511 298 G N 0.338 109.042 108.800 -0.159 0.000 2.225 298 G HA2 -0.245 3.717 3.960 0.003 0.000 0.254 298 G HA3 -0.245 3.717 3.960 0.003 0.000 0.254 298 G C 0.111 174.946 174.900 -0.108 0.000 0.988 298 G CA 0.106 45.134 45.100 -0.119 0.000 0.625 298 G HN 0.802 nan 8.290 nan 0.000 0.527 299 V N 2.925 122.772 119.914 -0.112 0.000 2.508 299 V HA 0.375 4.496 4.120 0.003 0.000 0.281 299 V C -1.400 174.642 176.094 -0.088 0.000 1.041 299 V CA -1.145 61.097 62.300 -0.096 0.000 1.016 299 V CB 1.182 32.951 31.823 -0.089 0.000 0.984 299 V HN 0.126 nan 8.190 nan 0.000 0.478 300 P HA 0.010 nan 4.420 nan 0.000 0.264 300 P C 0.606 177.871 177.300 -0.058 0.000 1.183 300 P CA 0.383 63.444 63.100 -0.064 0.000 0.763 300 P CB 0.663 32.330 31.700 -0.055 0.000 0.807 301 A N 4.333 127.122 122.820 -0.052 0.000 1.908 301 A HA -0.224 4.097 4.320 0.003 0.000 0.218 301 A C 1.882 179.448 177.584 -0.030 0.000 1.181 301 A CA 1.524 53.539 52.037 -0.037 0.000 0.627 301 A CB -0.846 18.136 19.000 -0.030 0.000 0.818 301 A HN 0.490 nan 8.150 nan 0.000 0.445 302 E N -0.449 119.732 120.200 -0.032 0.000 2.204 302 E HA -0.092 4.259 4.350 0.003 0.000 0.194 302 E C 2.054 178.627 176.600 -0.045 0.000 0.989 302 E CA 1.505 57.886 56.400 -0.031 0.000 0.824 302 E CB -0.702 28.981 29.700 -0.028 0.000 0.756 302 E HN 0.622 nan 8.360 nan 0.000 0.477 303 T N 1.452 115.974 114.554 -0.053 0.000 2.857 303 T HA -0.008 4.344 4.350 0.003 0.000 0.266 303 T C 2.116 176.766 174.700 -0.085 0.000 1.048 303 T CA 0.600 62.658 62.100 -0.070 0.000 1.139 303 T CB -0.089 68.738 68.868 -0.070 0.000 0.874 303 T HN 0.107 nan 8.240 nan 0.000 0.455 304 I N 0.921 121.454 120.570 -0.063 0.000 2.179 304 I HA -0.205 3.967 4.170 0.003 0.000 0.242 304 I C 2.514 178.595 176.117 -0.059 0.000 1.088 304 I CA 1.409 62.679 61.300 -0.049 0.000 1.357 304 I CB -0.331 37.664 38.000 -0.008 0.000 1.051 304 I HN 0.209 nan 8.210 nan 0.000 0.409 305 K N 0.860 121.238 120.400 -0.037 0.000 2.009 305 K HA -0.220 4.101 4.320 0.003 0.000 0.210 305 K C 2.030 178.581 176.600 -0.082 0.000 1.049 305 K CA 1.741 58.009 56.287 -0.032 0.000 0.929 305 K CB -0.260 32.235 32.500 -0.009 0.000 0.714 305 K HN 0.350 nan 8.250 nan 0.000 0.440 306 E N 0.537 120.680 120.200 -0.095 0.000 2.118 306 E HA -0.197 4.155 4.350 0.003 0.000 0.195 306 E C 1.957 178.426 176.600 -0.220 0.000 0.992 306 E CA 0.803 57.132 56.400 -0.119 0.000 0.804 306 E CB -0.015 29.631 29.700 -0.091 0.000 0.741 306 E HN 0.078 nan 8.360 nan 0.000 0.458 307 L N 0.752 121.788 121.223 -0.311 0.000 1.994 307 L HA -0.174 4.168 4.340 0.003 0.000 0.208 307 L C 2.426 178.724 176.870 -0.953 0.000 1.071 307 L CA 1.971 56.409 54.840 -0.670 0.000 0.745 307 L CB -1.501 40.210 42.059 -0.579 0.000 0.892 307 L HN 0.082 nan 8.230 nan 0.000 0.431 308 A N -0.512 122.015 122.820 -0.489 0.000 1.892 308 A HA -0.258 4.064 4.320 0.003 0.000 0.218 308 A C 2.444 179.948 177.584 -0.134 0.000 1.188 308 A CA 1.907 53.805 52.037 -0.232 0.000 0.631 308 A CB -0.502 18.480 19.000 -0.031 0.000 0.822 308 A HN 0.403 nan 8.150 nan 0.000 0.447 309 R N -1.259 119.169 120.500 -0.120 0.000 2.081 309 R HA -0.087 4.255 4.340 0.003 0.000 0.235 309 R C 2.153 178.427 176.300 -0.043 0.000 1.131 309 R CA 1.378 57.447 56.100 -0.051 0.000 0.960 309 R CB -0.554 29.719 30.300 -0.044 0.000 0.856 309 R HN 0.507 nan 8.270 nan 0.000 0.436 310 L N 0.217 121.372 121.223 -0.113 0.000 2.017 310 L HA -0.137 4.205 4.340 0.003 0.000 0.208 310 L C 1.827 178.773 176.870 0.126 0.000 1.073 310 L CA 1.730 56.551 54.840 -0.031 0.000 0.745 310 L CB -0.388 41.624 42.059 -0.078 0.000 0.894 310 L HN -0.014 nan 8.230 nan 0.000 0.432 311 F N 0.229 120.193 119.950 0.023 0.000 2.161 311 F HA -0.176 4.352 4.527 0.003 0.000 0.300 311 F C 2.642 178.454 175.800 0.021 0.000 1.089 311 F CA 1.421 59.437 58.000 0.028 0.000 1.282 311 F CB -1.286 37.749 39.000 0.058 0.000 1.010 311 F HN 0.274 nan 8.300 nan 0.000 0.485 312 E N 0.473 120.793 120.200 0.199 0.000 2.204 312 E HA -0.137 4.215 4.350 0.003 0.000 0.194 312 E C 1.993 178.639 176.600 0.077 0.000 0.989 312 E CA 1.403 57.874 56.400 0.120 0.000 0.824 312 E CB -0.198 29.560 29.700 0.096 0.000 0.756 312 E HN 0.258 nan 8.360 nan 0.000 0.477 313 S N -1.381 114.359 115.700 0.068 0.000 2.524 313 S HA 0.227 4.699 4.470 0.003 0.000 0.215 313 S C 0.462 175.088 174.600 0.043 0.000 0.986 313 S CA -0.534 57.693 58.200 0.044 0.000 0.911 313 S CB 0.327 63.545 63.200 0.031 0.000 0.805 313 S HN -0.116 nan 8.310 nan 0.000 0.501 314 K N 1.411 121.847 120.400 0.060 0.000 2.340 314 K HA 0.442 4.764 4.320 0.003 0.000 0.244 314 K C -0.912 175.709 176.600 0.036 0.000 0.973 314 K CA -0.857 55.458 56.287 0.047 0.000 0.828 314 K CB 1.469 34.004 32.500 0.058 0.000 1.226 314 K HN 0.049 nan 8.250 nan 0.000 0.437 315 R N 1.056 121.563 120.500 0.012 0.000 2.345 315 R HA 0.125 4.467 4.340 0.003 0.000 0.331 315 R C -0.910 175.374 176.300 -0.027 0.000 1.067 315 R CA 0.580 56.673 56.100 -0.010 0.000 0.962 315 R CB -0.573 29.718 30.300 -0.015 0.000 0.987 315 R HN 0.435 nan 8.270 nan 0.000 0.451 316 T N 5.615 120.144 114.554 -0.042 0.000 2.807 316 T HA 0.381 4.733 4.350 0.003 0.000 0.279 316 T C -0.736 173.880 174.700 -0.140 0.000 0.993 316 T CA -0.591 61.452 62.100 -0.095 0.000 0.970 316 T CB 1.105 69.922 68.868 -0.084 0.000 0.950 316 T HN 0.509 nan 8.240 nan 0.000 0.441 317 M N 4.612 124.100 119.600 -0.185 0.000 2.149 317 M HA 0.482 4.963 4.480 0.003 0.000 0.342 317 M C -1.601 174.583 176.300 -0.194 0.000 1.068 317 M CA -1.014 54.183 55.300 -0.171 0.000 0.991 317 M CB 0.183 32.646 32.600 -0.229 0.000 1.596 317 M HN 0.474 nan 8.290 nan 0.000 0.439 318 L N 5.587 126.766 121.223 -0.073 0.000 2.282 318 L HA 0.592 4.933 4.340 0.003 0.000 0.287 318 L C -0.066 176.875 176.870 0.119 0.000 1.075 318 L CA -0.686 54.149 54.840 -0.009 0.000 0.839 318 L CB 0.431 42.517 42.059 0.045 0.000 1.219 318 L HN 0.912 nan 8.230 nan 0.000 0.434 319 A N 3.551 126.401 122.820 0.049 0.000 2.341 319 A HA 0.728 5.050 4.320 0.003 0.000 0.326 319 A C 0.242 178.013 177.584 0.311 0.000 1.402 319 A CA -0.342 51.828 52.037 0.221 0.000 0.957 319 A CB 0.466 19.487 19.000 0.035 0.000 1.151 319 A HN 0.692 nan 8.150 nan 0.000 0.533 320 A N 2.406 125.427 122.820 0.334 0.000 2.305 320 A HA 0.776 5.098 4.320 0.003 0.000 0.322 320 A C 0.685 178.369 177.584 0.168 0.000 1.187 320 A CA 0.109 52.342 52.037 0.327 0.000 0.825 320 A CB 0.731 19.951 19.000 0.367 0.000 1.164 320 A HN 1.263 nan 8.150 nan 0.000 0.498 321 G N -0.214 108.574 108.800 -0.020 0.000 2.532 321 G HA2 0.450 4.411 3.960 0.003 0.000 0.291 321 G HA3 0.450 4.411 3.960 0.003 0.000 0.291 321 G C -0.056 174.860 174.900 0.027 0.000 1.349 321 G CA -0.330 44.390 45.100 -0.633 0.000 1.038 321 G HN 0.749 nan 8.290 nan 0.000 0.518 322 W N -0.236 121.041 121.300 -0.037 0.000 3.127 322 W HA 0.157 4.818 4.660 0.003 0.000 0.344 322 W C 2.383 178.990 176.519 0.146 0.000 1.151 322 W CA 0.105 57.535 57.345 0.142 0.000 1.765 322 W CB -0.981 28.558 29.460 0.131 0.000 1.085 322 W HN 0.620 nan 8.180 nan 0.000 0.596 323 S N 1.416 117.287 115.700 0.285 0.000 2.370 323 S HA -0.275 4.197 4.470 0.003 0.000 0.226 323 S C 1.793 176.537 174.600 0.240 0.000 1.033 323 S CA 1.702 60.049 58.200 0.245 0.000 1.011 323 S CB -0.936 62.386 63.200 0.204 0.000 0.852 323 S HN 0.373 nan 8.310 nan 0.000 0.457 324 M N 0.699 120.433 119.600 0.223 0.000 2.632 324 M HA 0.078 4.560 4.480 0.003 0.000 0.256 324 M C 1.381 177.767 176.300 0.143 0.000 1.080 324 M CA 1.330 56.728 55.300 0.164 0.000 1.084 324 M CB -0.652 32.017 32.600 0.114 0.000 1.439 324 M HN 0.448 nan 8.290 nan 0.000 0.509 325 Q N 0.720 120.649 119.800 0.215 0.000 2.219 325 Q HA 0.228 4.569 4.340 0.003 0.000 0.209 325 Q C 0.910 177.007 176.000 0.162 0.000 0.854 325 Q CA 0.042 55.958 55.803 0.188 0.000 0.960 325 Q CB 0.043 28.947 28.738 0.277 0.000 1.116 325 Q HN 0.585 nan 8.270 nan 0.000 0.500 326 R N 0.900 121.509 120.500 0.182 0.000 3.863 326 R HA 0.493 4.835 4.340 0.003 0.000 0.304 326 R C -1.048 175.337 176.300 0.143 0.000 1.485 326 R CA 0.068 56.264 56.100 0.159 0.000 1.355 326 R CB 0.016 30.445 30.300 0.215 0.000 1.457 326 R HN 0.259 nan 8.270 nan 0.000 0.669 327 M N -0.671 119.003 119.600 0.124 0.000 2.603 327 M HA 0.162 4.643 4.480 0.003 0.000 0.275 327 M C -0.875 175.493 176.300 0.114 0.000 1.226 327 M CA -0.886 54.491 55.300 0.129 0.000 0.870 327 M CB 2.358 35.054 32.600 0.160 0.000 1.716 327 M HN 0.207 nan 8.290 nan 0.000 0.482 328 H N 0.800 119.840 119.070 -0.050 0.000 3.094 328 H HA -0.005 4.553 4.556 0.003 0.000 0.320 328 H C -0.368 174.837 175.328 -0.204 0.000 1.000 328 H CA 1.466 57.381 56.048 -0.222 0.000 1.413 328 H CB 0.257 29.849 29.762 -0.284 0.000 1.405 328 H HN 0.775 nan 8.280 nan 0.000 0.586 329 H N 0.889 119.906 119.070 -0.089 0.000 2.820 329 H HA -0.182 4.376 4.556 0.003 0.000 0.295 329 H C 1.566 176.886 175.328 -0.014 0.000 1.187 329 H CA 0.234 56.202 56.048 -0.133 0.000 1.144 329 H CB -1.439 28.161 29.762 -0.271 0.000 1.354 329 H HN 0.903 nan 8.280 nan 0.000 0.395 330 G N 0.467 109.328 108.800 0.103 0.000 2.450 330 G HA2 -0.285 3.677 3.960 0.003 0.000 0.220 330 G HA3 -0.285 3.677 3.960 0.003 0.000 0.220 330 G C 1.414 176.387 174.900 0.122 0.000 1.130 330 G CA 1.227 46.394 45.100 0.111 0.000 0.760 330 G HN 0.499 nan 8.290 nan 0.000 0.557 331 E N 0.402 120.680 120.200 0.130 0.000 2.171 331 E HA -0.130 4.221 4.350 0.003 0.000 0.197 331 E C 2.647 179.376 176.600 0.214 0.000 0.997 331 E CA 1.014 57.504 56.400 0.150 0.000 0.810 331 E CB -0.078 29.709 29.700 0.145 0.000 0.738 331 E HN 0.321 nan 8.360 nan 0.000 0.467 332 Q N -0.203 119.709 119.800 0.187 0.000 2.167 332 Q HA -0.021 4.321 4.340 0.003 0.000 0.202 332 Q C 2.181 178.239 176.000 0.097 0.000 0.970 332 Q CA 1.353 57.257 55.803 0.167 0.000 0.855 332 Q CB -0.420 28.370 28.738 0.087 0.000 0.911 332 Q HN 0.356 nan 8.270 nan 0.000 0.438 333 A N 0.457 123.284 122.820 0.010 0.000 1.858 333 A HA -0.205 4.117 4.320 0.003 0.000 0.216 333 A C 1.706 179.106 177.584 -0.307 0.000 1.190 333 A CA 1.784 53.713 52.037 -0.181 0.000 0.617 333 A CB -0.861 17.960 19.000 -0.299 0.000 0.827 333 A HN 0.458 nan 8.150 nan 0.000 0.443 334 H N -3.448 115.631 119.070 0.015 0.000 2.470 334 H HA -0.077 4.480 4.556 0.003 0.000 0.289 334 H C 1.671 176.995 175.328 -0.008 0.000 1.033 334 H CA 0.998 57.024 56.048 -0.038 0.000 1.331 334 H CB -0.042 29.714 29.762 -0.010 0.000 1.414 334 H HN 0.710 nan 8.280 nan 0.000 0.545 335 W N 1.240 122.501 121.300 -0.064 0.000 2.355 335 W HA -0.190 4.472 4.660 0.003 0.000 0.309 335 W C 2.159 178.580 176.519 -0.163 0.000 1.206 335 W CA 1.308 58.588 57.345 -0.109 0.000 1.284 335 W CB -0.584 28.828 29.460 -0.079 0.000 1.145 335 W HN 0.201 nan 8.180 nan 0.000 0.502 336 M N 0.013 119.630 119.600 0.028 0.000 2.229 336 M HA -0.105 4.377 4.480 0.003 0.000 0.264 336 M C 2.095 178.306 176.300 -0.148 0.000 1.063 336 M CA 1.544 56.776 55.300 -0.113 0.000 1.114 336 M CB -1.105 31.463 32.600 -0.054 0.000 1.387 336 M HN 0.001 nan 8.290 nan 0.000 0.420 337 L N -0.846 120.256 121.223 -0.201 0.000 2.056 337 L HA -0.114 4.227 4.340 0.003 0.000 0.207 337 L C 2.054 178.750 176.870 -0.289 0.000 1.078 337 L CA 1.349 56.014 54.840 -0.291 0.000 0.749 337 L CB -0.480 41.385 42.059 -0.325 0.000 0.901 337 L HN 0.159 nan 8.230 nan 0.000 0.433 338 V N -0.891 118.823 119.914 -0.334 0.000 2.427 338 V HA -0.270 3.851 4.120 0.003 0.000 0.248 338 V C 2.453 178.424 176.094 -0.205 0.000 1.051 338 V CA 2.111 64.127 62.300 -0.472 0.000 1.048 338 V CB -0.905 30.636 31.823 -0.471 0.000 0.666 338 V HN 0.533 nan 8.190 nan 0.000 0.456 339 T N 0.595 115.074 114.554 -0.125 0.000 2.708 339 T HA -0.206 4.145 4.350 0.003 0.000 0.266 339 T C 1.915 176.571 174.700 -0.073 0.000 1.037 339 T CA 1.962 63.991 62.100 -0.119 0.000 1.146 339 T CB -0.361 68.322 68.868 -0.309 0.000 0.865 339 T HN 0.329 nan 8.240 nan 0.000 0.435 340 L N 1.437 122.620 121.223 -0.067 0.000 2.012 340 L HA 0.013 4.355 4.340 0.003 0.000 0.210 340 L C 2.571 179.434 176.870 -0.012 0.000 1.073 340 L CA 2.040 56.882 54.840 0.004 0.000 0.748 340 L CB -0.990 41.084 42.059 0.026 0.000 0.891 340 L HN 0.227 nan 8.230 nan 0.000 0.431 341 A N -1.624 121.152 122.820 -0.073 0.000 1.930 341 A HA -0.153 4.168 4.320 0.003 0.000 0.217 341 A C 2.369 179.858 177.584 -0.159 0.000 1.175 341 A CA 1.797 53.787 52.037 -0.079 0.000 0.627 341 A CB -0.863 18.116 19.000 -0.036 0.000 0.815 341 A HN 0.539 nan 8.150 nan 0.000 0.443 342 S N -0.243 115.381 115.700 -0.126 0.000 2.356 342 S HA -0.174 4.298 4.470 0.003 0.000 0.223 342 S C 2.000 176.547 174.600 -0.089 0.000 1.032 342 S CA 1.854 59.989 58.200 -0.109 0.000 1.005 342 S CB -0.418 62.877 63.200 0.158 0.000 0.867 342 S HN 0.600 nan 8.310 nan 0.000 0.449 343 M N 0.868 120.451 119.600 -0.027 0.000 2.159 343 M HA -0.051 4.431 4.480 0.003 0.000 0.263 343 M C 1.791 178.123 176.300 0.053 0.000 1.063 343 M CA 1.252 56.567 55.300 0.026 0.000 1.110 343 M CB -0.623 31.981 32.600 0.006 0.000 1.374 343 M HN 0.240 nan 8.290 nan 0.000 0.411 344 L N -0.408 120.809 121.223 -0.010 0.000 2.275 344 L HA -0.005 4.337 4.340 0.003 0.000 0.215 344 L C 1.519 178.324 176.870 -0.109 0.000 1.119 344 L CA 0.679 55.514 54.840 -0.008 0.000 0.790 344 L CB -1.051 41.009 42.059 0.002 0.000 0.919 344 L HN 0.625 nan 8.230 nan 0.000 0.443 345 G N 0.212 108.818 108.800 -0.325 0.000 2.198 345 G HA2 -0.317 3.644 3.960 0.003 0.000 0.260 345 G HA3 -0.317 3.644 3.960 0.003 0.000 0.260 345 G C 0.574 175.158 174.900 -0.527 0.000 1.025 345 G CA 0.496 45.223 45.100 -0.621 0.000 0.769 345 G HN 0.536 nan 8.290 nan 0.000 0.507 346 Q N -0.945 118.613 119.800 -0.404 0.000 2.247 346 Q HA 0.376 4.718 4.340 0.003 0.000 0.204 346 Q C 1.172 177.038 176.000 -0.224 0.000 0.872 346 Q CA -0.326 55.339 55.803 -0.229 0.000 0.951 346 Q CB 0.797 29.461 28.738 -0.124 0.000 1.099 346 Q HN 0.703 nan 8.270 nan 0.000 0.501 347 I N 1.119 121.469 120.570 -0.367 0.000 2.668 347 I HA -0.066 4.106 4.170 0.003 0.000 0.285 347 I C 1.185 177.289 176.117 -0.021 0.000 1.168 347 I CA 1.069 62.279 61.300 -0.150 0.000 1.424 347 I CB 0.395 38.321 38.000 -0.124 0.000 1.377 347 I HN 0.465 nan 8.210 nan 0.000 0.560 348 G N 5.169 113.987 108.800 0.030 0.000 2.176 348 G HA2 -0.214 3.747 3.960 0.003 0.000 0.232 348 G HA3 -0.214 3.747 3.960 0.003 0.000 0.232 348 G C 0.055 174.941 174.900 -0.024 0.000 0.986 348 G CA -0.540 44.592 45.100 0.053 0.000 0.643 348 G HN 0.448 nan 8.290 nan 0.000 0.522 349 L N 1.822 123.018 121.223 -0.046 0.000 2.379 349 L HA 0.467 4.809 4.340 0.003 0.000 0.269 349 L C -1.716 175.118 176.870 -0.060 0.000 1.084 349 L CA -2.327 52.485 54.840 -0.047 0.000 0.802 349 L CB 1.067 43.099 42.059 -0.044 0.000 1.175 349 L HN -0.105 nan 8.230 nan 0.000 0.448 350 P HA 0.049 nan 4.420 nan 0.000 0.266 350 P C 0.729 178.001 177.300 -0.046 0.000 1.215 350 P CA 0.587 63.655 63.100 -0.054 0.000 0.763 350 P CB 0.818 32.498 31.700 -0.033 0.000 0.806 351 G N 2.118 110.884 108.800 -0.056 0.000 2.225 351 G HA2 -0.159 3.803 3.960 0.003 0.000 0.254 351 G HA3 -0.159 3.803 3.960 0.003 0.000 0.254 351 G C 0.451 175.308 174.900 -0.072 0.000 0.988 351 G CA -0.047 45.018 45.100 -0.058 0.000 0.625 351 G HN 0.909 nan 8.290 nan 0.000 0.527 352 G N -1.628 107.130 108.800 -0.069 0.000 2.667 352 G HA2 0.869 4.831 3.960 0.003 0.000 0.310 352 G HA3 0.869 4.831 3.960 0.003 0.000 0.310 352 G C 0.828 175.687 174.900 -0.068 0.000 1.259 352 G CA 0.969 46.026 45.100 -0.072 0.000 1.019 352 G HN 1.896 nan 8.290 nan 0.000 0.496 353 G N -1.021 107.747 108.800 -0.054 0.000 2.516 353 G HA2 0.381 4.342 3.960 0.003 0.000 0.220 353 G HA3 0.381 4.342 3.960 0.003 0.000 0.220 353 G C -0.253 174.722 174.900 0.126 0.000 1.165 353 G CA 0.365 45.470 45.100 0.008 0.000 1.013 353 G HN 2.046 nan 8.290 nan 0.000 0.590 354 F N -1.096 118.849 119.950 -0.009 0.000 2.664 354 F HA 0.879 5.407 4.527 0.003 0.000 0.317 354 F C 0.124 175.987 175.800 0.105 0.000 1.108 354 F CA -0.694 57.326 58.000 0.033 0.000 0.957 354 F CB 1.552 40.566 39.000 0.023 0.000 1.365 354 F HN 1.543 nan 8.300 nan 0.000 0.475 355 G N 0.914 109.860 108.800 0.244 0.000 2.753 355 G HA2 0.516 4.478 3.960 0.003 0.000 0.295 355 G HA3 0.516 4.478 3.960 0.003 0.000 0.295 355 G C -1.117 173.906 174.900 0.205 0.000 1.437 355 G CA -0.873 44.253 45.100 0.042 0.000 1.094 355 G HN 0.853 nan 8.290 nan 0.000 0.540 356 L N 1.151 122.478 121.223 0.173 0.000 2.700 356 L HA 0.319 4.660 4.340 0.003 0.000 0.234 356 L C 1.493 178.586 176.870 0.371 0.000 1.156 356 L CA 0.133 55.177 54.840 0.339 0.000 0.946 356 L CB 1.012 43.280 42.059 0.349 0.000 1.216 356 L HN 0.512 nan 8.230 nan 0.000 0.493 357 S N -1.567 114.161 115.700 0.047 0.000 3.021 357 S HA 0.214 4.686 4.470 0.003 0.000 0.252 357 S C 0.777 175.251 174.600 -0.211 0.000 0.996 357 S CA -0.406 57.766 58.200 -0.047 0.000 1.084 357 S CB 0.098 63.361 63.200 0.104 0.000 1.021 357 S HN 0.263 nan 8.310 nan 0.000 0.566 358 Y N 1.373 121.702 120.300 0.048 0.000 2.439 358 Y HA 0.043 4.594 4.550 0.003 0.000 0.292 358 Y C 2.393 178.416 175.900 0.206 0.000 1.130 358 Y CA 1.368 59.506 58.100 0.065 0.000 1.254 358 Y CB -0.139 38.364 38.460 0.072 0.000 1.000 358 Y HN 0.649 nan 8.280 nan 0.000 0.554 359 H N -2.924 116.247 119.070 0.169 0.000 2.551 359 H HA 0.083 4.640 4.556 0.003 0.000 0.271 359 H C -0.677 174.685 175.328 0.057 0.000 0.984 359 H CA 0.043 56.123 56.048 0.054 0.000 1.164 359 H CB -0.401 29.321 29.762 -0.066 0.000 1.437 359 H HN 0.325 nan 8.280 nan 0.000 0.550 360 Y N 1.376 121.313 120.300 -0.605 0.000 2.361 360 Y HA 0.367 4.919 4.550 0.003 0.000 0.337 360 Y C 0.183 176.150 175.900 0.111 0.000 0.965 360 Y CA -0.742 57.155 58.100 -0.338 0.000 1.091 360 Y CB 1.519 39.627 38.460 -0.587 0.000 1.182 360 Y HN 0.164 nan 8.280 nan 0.000 0.450 361 S N 4.037 119.507 115.700 -0.382 0.000 3.486 361 S HA -0.224 4.248 4.470 0.003 0.000 0.371 361 S C 1.088 175.783 174.600 0.159 0.000 1.001 361 S CA 1.523 59.586 58.200 -0.228 0.000 1.164 361 S CB -1.834 61.032 63.200 -0.558 0.000 0.911 361 S HN 2.104 nan 8.310 nan 0.000 0.472 362 G N -0.358 108.558 108.800 0.193 0.000 2.153 362 G HA2 -0.115 3.847 3.960 0.003 0.000 0.252 362 G HA3 -0.115 3.847 3.960 0.003 0.000 0.252 362 G C 0.445 175.502 174.900 0.262 0.000 0.994 362 G CA 0.173 45.445 45.100 0.286 0.000 0.698 362 G HN 1.680 nan 8.290 nan 0.000 0.521 363 G N -1.088 107.702 108.800 -0.016 0.000 2.224 363 G HA2 0.457 4.419 3.960 0.003 0.000 0.239 363 G HA3 0.457 4.419 3.960 0.003 0.000 0.239 363 G C 1.529 176.234 174.900 -0.325 0.000 1.240 363 G CA 1.650 46.339 45.100 -0.685 0.000 0.896 363 G HN 1.964 nan 8.290 nan 0.000 0.496 364 G N 1.442 110.044 108.800 -0.331 0.000 2.232 364 G HA2 -0.251 3.711 3.960 0.003 0.000 0.226 364 G HA3 -0.251 3.711 3.960 0.003 0.000 0.226 364 G C 0.645 175.652 174.900 0.178 0.000 0.996 364 G CA 0.415 45.390 45.100 -0.207 0.000 0.626 364 G HN 1.192 nan 8.290 nan 0.000 0.509 365 T N 4.284 119.034 114.554 0.327 0.000 2.817 365 T HA 0.454 4.806 4.350 0.003 0.000 0.295 365 T C -2.107 172.742 174.700 0.248 0.000 0.958 365 T CA -0.260 62.065 62.100 0.375 0.000 1.157 365 T CB 1.304 70.371 68.868 0.332 0.000 0.898 365 T HN 0.149 nan 8.240 nan 0.000 0.536 366 P HA 0.046 nan 4.420 nan 0.000 0.261 366 P C -0.306 177.082 177.300 0.148 0.000 1.173 366 P CA 0.129 63.335 63.100 0.177 0.000 0.760 366 P CB 0.326 32.130 31.700 0.173 0.000 0.783 367 S N 1.478 117.239 115.700 0.101 0.000 2.580 367 S HA 0.326 4.798 4.470 0.003 0.000 0.274 367 S C 0.796 175.447 174.600 0.086 0.000 1.329 367 S CA -0.407 57.841 58.200 0.080 0.000 1.036 367 S CB 0.139 63.342 63.200 0.004 0.000 0.919 367 S HN 0.579 nan 8.310 nan 0.000 0.515 368 T N -0.785 113.833 114.554 0.107 0.000 2.814 368 T HA 0.309 4.660 4.350 0.003 0.000 0.284 368 T C 1.163 175.888 174.700 0.042 0.000 0.998 368 T CA -0.302 61.867 62.100 0.115 0.000 0.935 368 T CB 0.620 69.621 68.868 0.223 0.000 1.167 368 T HN 0.502 nan 8.240 nan 0.000 0.545 369 S N -1.331 114.382 115.700 0.023 0.000 2.605 369 S HA 0.326 4.798 4.470 0.003 0.000 0.217 369 S C 1.149 175.640 174.600 -0.183 0.000 0.958 369 S CA -0.447 57.723 58.200 -0.052 0.000 0.919 369 S CB -0.788 62.400 63.200 -0.019 0.000 0.780 369 S HN 1.099 nan 8.310 nan 0.000 0.507 370 G N 3.071 111.681 108.800 -0.317 0.000 2.636 370 G HA2 0.460 4.422 3.960 0.003 0.000 0.246 370 G HA3 0.460 4.422 3.960 0.003 0.000 0.246 370 G C -2.352 172.144 174.900 -0.673 0.000 1.216 370 G CA -1.204 43.315 45.100 -0.969 0.000 0.854 370 G HN 0.298 nan 8.290 nan 0.000 0.572 371 P HA 0.395 nan 4.420 nan 0.000 0.276 371 P C -0.207 176.944 177.300 -0.248 0.000 1.261 371 P CA -0.251 62.628 63.100 -0.368 0.000 0.800 371 P CB 1.018 32.529 31.700 -0.316 0.000 1.066 372 A N 0.635 123.363 122.820 -0.153 0.000 2.304 372 A HA 0.524 4.846 4.320 0.003 0.000 0.271 372 A C -0.587 176.953 177.584 -0.073 0.000 1.091 372 A CA -0.350 51.631 52.037 -0.093 0.000 0.812 372 A CB -0.144 18.806 19.000 -0.083 0.000 1.056 372 A HN 0.552 nan 8.150 nan 0.000 0.489 373 L N 0.780 121.976 121.223 -0.044 0.000 2.362 373 L HA 0.800 5.142 4.340 0.003 0.000 0.275 373 L C -0.049 176.775 176.870 -0.077 0.000 0.998 373 L CA -0.029 54.792 54.840 -0.031 0.000 0.820 373 L CB 1.413 43.483 42.059 0.018 0.000 1.270 373 L HN 0.981 nan 8.230 nan 0.000 0.415 374 A N 2.829 125.584 122.820 -0.109 0.000 2.423 374 A HA 0.978 5.300 4.320 0.003 0.000 0.304 374 A C -0.313 176.976 177.584 -0.491 0.000 1.104 374 A CA 0.022 51.934 52.037 -0.208 0.000 0.757 374 A CB 1.463 20.382 19.000 -0.135 0.000 1.313 374 A HN 0.969 nan 8.150 nan 0.000 0.423 375 G N -0.661 107.723 108.800 -0.694 0.000 3.251 375 G HA2 0.537 4.498 3.960 0.003 0.000 0.248 375 G HA3 0.537 4.498 3.960 0.003 0.000 0.248 375 G C -0.412 173.931 174.900 -0.928 0.000 1.320 375 G CA -0.765 43.455 45.100 -1.467 0.000 0.982 375 G HN 0.938 nan 8.290 nan 0.000 0.575 376 I N 1.046 121.170 120.570 -0.743 0.000 2.752 376 I HA 0.291 4.463 4.170 0.003 0.000 0.287 376 I C 1.115 177.044 176.117 -0.314 0.000 1.188 376 I CA 0.105 61.166 61.300 -0.398 0.000 1.427 376 I CB 0.985 38.633 38.000 -0.586 0.000 1.365 376 I HN 0.655 nan 8.210 nan 0.000 0.585 377 T N 1.396 115.818 114.554 -0.221 0.000 2.948 377 T HA 0.317 4.669 4.350 0.003 0.000 0.285 377 T C 0.421 175.012 174.700 -0.181 0.000 1.019 377 T CA -0.257 61.744 62.100 -0.166 0.000 1.013 377 T CB 1.433 70.247 68.868 -0.090 0.000 1.117 377 T HN 0.661 nan 8.240 nan 0.000 0.533 378 D N -1.070 119.248 120.400 -0.137 0.000 2.349 378 D HA 0.200 4.841 4.640 0.003 0.000 0.224 378 D C 1.552 177.808 176.300 -0.073 0.000 1.029 378 D CA 0.422 54.346 54.000 -0.126 0.000 0.879 378 D CB -0.818 39.929 40.800 -0.087 0.000 0.906 378 D HN 1.202 nan 8.370 nan 0.000 0.528 379 G N -0.845 107.921 108.800 -0.057 0.000 2.198 379 G HA2 -0.111 3.850 3.960 0.003 0.000 0.260 379 G HA3 -0.111 3.850 3.960 0.003 0.000 0.260 379 G C 0.504 175.403 174.900 -0.003 0.000 1.025 379 G CA 0.136 45.222 45.100 -0.024 0.000 0.769 379 G HN 0.827 nan 8.290 nan 0.000 0.507 391 A N 0.382 123.208 122.820 0.011 0.000 2.066 391 A HA 0.201 4.522 4.320 0.003 0.000 0.218 391 A C 1.749 179.353 177.584 0.033 0.000 1.157 391 A CA 2.020 54.068 52.037 0.019 0.000 0.670 391 A CB -0.403 18.608 19.000 0.017 0.000 0.804 391 A HN 0.692 nan 8.150 nan 0.000 0.453 392 S N -0.795 114.927 115.700 0.037 0.000 2.577 392 S HA 0.460 4.932 4.470 0.003 0.000 0.219 392 S C 0.847 175.485 174.600 0.064 0.000 0.962 392 S CA 0.438 58.669 58.200 0.052 0.000 0.921 392 S CB -0.232 62.997 63.200 0.048 0.000 0.789 392 S HN 1.596 nan 8.310 nan 0.000 0.497 393 G N 1.359 110.195 108.800 0.060 0.000 2.707 393 G HA2 0.199 4.160 3.960 0.003 0.000 0.686 393 G HA3 0.199 4.160 3.960 0.003 0.000 0.686 393 G C -0.231 174.720 174.900 0.085 0.000 1.315 393 G CA -0.833 44.318 45.100 0.084 0.000 0.832 393 G HN 0.721 nan 8.290 nan 0.000 0.573 394 A N -0.173 122.722 122.820 0.125 0.000 2.466 394 A HA 0.660 4.982 4.320 0.003 0.000 0.238 394 A C 1.725 179.385 177.584 0.125 0.000 1.074 394 A CA 1.254 53.369 52.037 0.130 0.000 0.774 394 A CB 0.321 19.462 19.000 0.235 0.000 1.015 394 A HN 2.402 nan 8.150 nan 0.000 0.498 395 S N -0.290 115.462 115.700 0.086 0.000 2.548 395 S HA 0.351 4.823 4.470 0.003 0.000 0.215 395 S C 0.131 174.781 174.600 0.082 0.000 0.976 395 S CA 0.374 58.603 58.200 0.049 0.000 0.908 395 S CB -0.317 62.871 63.200 -0.021 0.000 0.781 395 S HN 0.705 nan 8.310 nan 0.000 0.519 396 V N 2.221 122.221 119.914 0.143 0.000 2.888 396 V HA 0.606 4.727 4.120 0.003 0.000 0.309 396 V C -0.728 175.497 176.094 0.219 0.000 1.114 396 V CA -1.095 61.306 62.300 0.168 0.000 0.940 396 V CB 1.868 33.778 31.823 0.146 0.000 1.021 396 V HN 0.504 nan 8.190 nan 0.000 0.426 397 I N 1.199 121.871 120.570 0.170 0.000 2.785 397 I HA 0.763 4.934 4.170 0.003 0.000 0.302 397 I C -2.893 173.162 176.117 -0.103 0.000 1.069 397 I CA -2.889 58.429 61.300 0.030 0.000 1.045 397 I CB 2.263 40.244 38.000 -0.033 0.000 1.236 397 I HN 0.339 nan 8.210 nan 0.000 0.429 398 P HA -0.043 nan 4.420 nan 0.000 0.264 398 P C 1.226 178.384 177.300 -0.235 0.000 1.183 398 P CA -0.222 62.594 63.100 -0.473 0.000 0.763 398 P CB 0.657 31.910 31.700 -0.745 0.000 0.807 399 V N 2.142 121.955 119.914 -0.167 0.000 2.324 399 V HA -0.278 3.843 4.120 0.003 0.000 0.250 399 V C 1.809 177.840 176.094 -0.106 0.000 1.060 399 V CA 2.139 64.407 62.300 -0.053 0.000 1.042 399 V CB -2.131 29.648 31.823 -0.073 0.000 0.650 399 V HN 0.530 nan 8.190 nan 0.000 0.450 400 A N -0.306 122.321 122.820 -0.321 0.000 2.235 400 A HA 0.129 4.450 4.320 0.003 0.000 0.208 400 A C 1.920 179.478 177.584 -0.043 0.000 1.172 400 A CA 0.281 52.220 52.037 -0.164 0.000 0.786 400 A CB -0.450 18.329 19.000 -0.367 0.000 0.804 400 A HN 0.478 nan 8.150 nan 0.000 0.479 401 R N -0.601 119.798 120.500 -0.169 0.000 2.356 401 R HA 0.079 4.421 4.340 0.003 0.000 0.234 401 R C 1.532 177.620 176.300 -0.352 0.000 0.929 401 R CA 0.415 56.381 56.100 -0.224 0.000 1.084 401 R CB -0.881 29.273 30.300 -0.242 0.000 1.105 401 R HN 0.394 nan 8.270 nan 0.000 0.515 402 V N 0.415 120.129 119.914 -0.332 0.000 2.324 402 V HA -0.243 3.879 4.120 0.003 0.000 0.250 402 V C 1.942 177.743 176.094 -0.488 0.000 1.060 402 V CA 1.868 63.876 62.300 -0.487 0.000 1.042 402 V CB 0.010 31.614 31.823 -0.365 0.000 0.650 402 V HN 0.085 nan 8.190 nan 0.000 0.450 403 V N 0.163 119.857 119.914 -0.366 0.000 2.488 403 V HA -0.136 3.985 4.120 0.003 0.000 0.246 403 V C 2.400 178.293 176.094 -0.335 0.000 1.046 403 V CA 2.070 64.211 62.300 -0.265 0.000 1.053 403 V CB -0.622 31.153 31.823 -0.080 0.000 0.679 403 V HN 0.670 nan 8.190 nan 0.000 0.458 404 D N 0.000 120.174 120.400 -0.377 0.000 2.123 404 D HA -0.249 4.393 4.640 0.003 0.000 0.196 404 D C 2.177 177.920 176.300 -0.928 0.000 0.992 404 D CA 1.896 55.608 54.000 -0.480 0.000 0.833 404 D CB -0.154 40.417 40.800 -0.382 0.000 0.954 404 D HN 0.393 nan 8.370 nan 0.000 0.455 405 M N -0.398 118.461 119.600 -1.235 0.000 2.086 405 M HA -0.161 4.321 4.480 0.003 0.000 0.261 405 M C 2.027 177.919 176.300 -0.679 0.000 1.067 405 M CA 1.301 55.776 55.300 -1.375 0.000 1.116 405 M CB -0.062 31.978 32.600 -0.933 0.000 1.348 405 M HN 0.045 nan 8.290 nan 0.000 0.407 406 L N -0.154 120.746 121.223 -0.539 0.000 2.156 406 L HA -0.146 4.196 4.340 0.003 0.000 0.208 406 L C 2.147 178.845 176.870 -0.288 0.000 1.095 406 L CA 1.204 55.809 54.840 -0.392 0.000 0.770 406 L CB -0.663 41.142 42.059 -0.424 0.000 0.914 406 L HN 0.376 nan 8.230 nan 0.000 0.439 407 E N -0.017 120.015 120.200 -0.279 0.000 2.208 407 E HA -0.062 4.290 4.350 0.003 0.000 0.193 407 E C 0.318 176.832 176.600 -0.143 0.000 0.988 407 E CA 0.564 56.857 56.400 -0.179 0.000 0.828 407 E CB 0.140 29.751 29.700 -0.150 0.000 0.763 407 E HN 0.399 nan 8.360 nan 0.000 0.478 408 N N 1.227 119.816 118.700 -0.185 0.000 2.757 408 N HA 0.153 4.895 4.740 0.003 0.000 0.296 408 N C -2.740 172.795 175.510 0.042 0.000 1.874 408 N CA -1.057 51.964 53.050 -0.049 0.000 0.885 408 N CB 1.161 39.658 38.487 0.016 0.000 1.242 408 N HN 0.041 nan 8.380 nan 0.000 0.488 409 P HA 0.033 nan 4.420 nan 0.000 0.265 409 P C 1.053 178.423 177.300 0.116 0.000 1.193 409 P CA 0.986 64.120 63.100 0.057 0.000 0.765 409 P CB 0.710 32.408 31.700 -0.004 0.000 0.823 410 G N 1.686 110.582 108.800 0.160 0.000 2.234 410 G HA2 -0.232 3.729 3.960 0.003 0.000 0.260 410 G HA3 -0.232 3.729 3.960 0.003 0.000 0.260 410 G C 0.431 175.409 174.900 0.130 0.000 0.987 410 G CA 0.217 45.390 45.100 0.122 0.000 0.625 410 G HN 0.904 nan 8.290 nan 0.000 0.532 411 A N 0.176 123.119 122.820 0.205 0.000 2.351 411 A HA 0.629 4.951 4.320 0.003 0.000 0.257 411 A C 0.456 178.100 177.584 0.100 0.000 1.087 411 A CA 0.015 52.156 52.037 0.174 0.000 0.798 411 A CB 0.376 19.519 19.000 0.239 0.000 1.033 411 A HN 0.458 nan 8.150 nan 0.000 0.488 412 E N -0.144 120.077 120.200 0.035 0.000 2.343 412 E HA 0.476 4.828 4.350 0.003 0.000 0.269 412 E C -1.193 175.382 176.600 -0.042 0.000 1.047 412 E CA 0.150 56.511 56.400 -0.065 0.000 0.874 412 E CB 0.954 30.615 29.700 -0.065 0.000 1.033 412 E HN 0.521 nan 8.360 nan 0.000 0.409 413 F N -0.861 118.909 119.950 -0.300 0.000 2.591 413 F HA 0.444 4.973 4.527 0.003 0.000 0.309 413 F C -0.791 174.931 175.800 -0.130 0.000 1.098 413 F CA -1.293 56.550 58.000 -0.262 0.000 0.937 413 F CB 1.179 39.886 39.000 -0.489 0.000 1.250 413 F HN 0.085 nan 8.300 nan 0.000 0.447 414 D N 2.411 122.826 120.400 0.024 0.000 2.225 414 D HA 0.404 5.045 4.640 0.003 0.000 0.249 414 D C -1.553 174.854 176.300 0.177 0.000 1.052 414 D CA 0.219 54.214 54.000 -0.009 0.000 0.909 414 D CB 2.258 43.025 40.800 -0.054 0.000 1.186 414 D HN 0.554 nan 8.370 nan 0.000 0.431 415 F N 2.700 122.638 119.950 -0.019 0.000 2.915 415 F HA 0.162 4.690 4.527 0.003 0.000 0.350 415 F C 0.065 175.926 175.800 0.101 0.000 1.248 415 F CA -1.053 56.987 58.000 0.067 0.000 1.084 415 F CB 0.284 39.386 39.000 0.171 0.000 1.391 415 F HN 0.233 nan 8.300 nan 0.000 0.548 416 N N 3.899 122.520 118.700 -0.131 0.000 2.721 416 N HA -0.173 4.568 4.740 0.003 0.000 0.249 416 N C 0.885 176.357 175.510 -0.063 0.000 1.072 416 N CA 2.212 55.149 53.050 -0.189 0.000 0.710 416 N CB -0.989 37.112 38.487 -0.643 0.000 0.993 416 N HN 1.686 nan 8.380 nan 0.000 0.547 417 G N -2.911 105.945 108.800 0.092 0.000 2.259 417 G HA2 -0.191 3.770 3.960 0.003 0.000 0.217 417 G HA3 -0.191 3.770 3.960 0.003 0.000 0.217 417 G C 0.107 174.990 174.900 -0.028 0.000 1.001 417 G CA 0.812 45.888 45.100 -0.040 0.000 0.627 417 G HN 1.449 nan 8.290 nan 0.000 0.501 418 T N -0.754 113.784 114.554 -0.026 0.000 2.863 418 T HA 0.706 5.058 4.350 0.003 0.000 0.285 418 T C -0.334 174.300 174.700 -0.110 0.000 1.009 418 T CA -0.590 61.470 62.100 -0.066 0.000 0.989 418 T CB 2.074 70.890 68.868 -0.087 0.000 1.004 418 T HN 0.300 nan 8.240 nan 0.000 0.455 419 R N 2.684 123.095 120.500 -0.148 0.000 2.229 419 R HA 0.603 4.945 4.340 0.003 0.000 0.328 419 R C -0.231 175.858 176.300 -0.351 0.000 1.009 419 R CA -0.307 55.648 56.100 -0.242 0.000 0.864 419 R CB 1.433 31.649 30.300 -0.139 0.000 1.085 419 R HN 0.993 nan 8.270 nan 0.000 0.453 420 S N 2.257 117.567 115.700 -0.650 0.000 2.840 420 S HA 0.563 5.034 4.470 0.003 0.000 0.307 420 S C -0.959 173.343 174.600 -0.498 0.000 1.180 420 S CA -1.117 56.781 58.200 -0.504 0.000 0.846 420 S CB 1.888 64.843 63.200 -0.409 0.000 1.233 420 S HN 0.364 nan 8.310 nan 0.000 0.548 421 K N -0.134 120.145 120.400 -0.201 0.000 2.203 421 K HA 0.576 4.898 4.320 0.003 0.000 0.251 421 K C -1.461 175.216 176.600 0.129 0.000 0.944 421 K CA -0.508 55.755 56.287 -0.040 0.000 0.829 421 K CB 0.896 33.405 32.500 0.015 0.000 1.125 421 K HN 0.408 nan 8.250 nan 0.000 0.430 422 F N 3.852 123.968 119.950 0.277 0.000 2.495 422 F HA 0.136 4.665 4.527 0.003 0.000 0.365 422 F C -1.538 174.303 175.800 0.068 0.000 1.090 422 F CA -1.857 56.227 58.000 0.139 0.000 1.235 422 F CB 0.026 39.019 39.000 -0.012 0.000 1.119 422 F HN 0.344 nan 8.300 nan 0.000 0.562 423 P HA -0.030 nan 4.420 nan 0.000 0.272 423 P C -0.642 176.708 177.300 0.084 0.000 1.240 423 P CA -0.273 62.913 63.100 0.144 0.000 0.791 423 P CB 0.773 32.553 31.700 0.133 0.000 0.978 424 D N 1.297 121.722 120.400 0.041 0.000 2.468 424 D HA 0.181 4.823 4.640 0.003 0.000 0.218 424 D C -0.571 175.674 176.300 -0.092 0.000 1.155 424 D CA -0.358 53.625 54.000 -0.027 0.000 0.924 424 D CB -0.400 40.392 40.800 -0.012 0.000 1.029 424 D HN -0.092 nan 8.370 nan 0.000 0.515 425 V N 5.127 124.968 119.914 -0.121 0.000 2.530 425 V HA 0.165 4.286 4.120 0.003 0.000 0.282 425 V C 1.417 177.380 176.094 -0.218 0.000 1.048 425 V CA -0.140 62.080 62.300 -0.135 0.000 0.997 425 V CB 1.580 33.323 31.823 -0.133 0.000 0.987 425 V HN 0.395 nan 8.190 nan 0.000 0.477 426 K N 3.470 123.735 120.400 -0.225 0.000 2.391 426 K HA 0.361 4.683 4.320 0.003 0.000 0.197 426 K C 0.046 176.597 176.600 -0.082 0.000 1.087 426 K CA 0.312 56.447 56.287 -0.254 0.000 1.012 426 K CB 0.914 33.105 32.500 -0.514 0.000 0.925 426 K HN 0.646 nan 8.250 nan 0.000 0.547 427 M N 0.419 120.019 119.600 0.000 0.000 2.457 427 M HA 0.511 4.993 4.480 0.003 0.000 0.300 427 M C -2.006 174.391 176.300 0.161 0.000 1.141 427 M CA -0.600 54.758 55.300 0.097 0.000 0.901 427 M CB 2.464 35.161 32.600 0.162 0.000 1.687 427 M HN -0.027 nan 8.290 nan 0.000 0.449 428 A N 3.171 126.145 122.820 0.257 0.000 2.374 428 A HA 0.689 5.011 4.320 0.003 0.000 0.305 428 A C -2.376 175.550 177.584 0.571 0.000 1.053 428 A CA -0.383 51.914 52.037 0.434 0.000 0.726 428 A CB 1.146 20.423 19.000 0.462 0.000 1.229 428 A HN 0.794 nan 8.150 nan 0.000 0.431 429 Y N 2.566 123.054 120.300 0.313 0.000 2.345 429 Y HA 0.519 5.071 4.550 0.003 0.000 0.331 429 Y C -1.185 174.819 175.900 0.173 0.000 0.959 429 Y CA -1.344 56.876 58.100 0.201 0.000 1.204 429 Y CB 0.882 39.382 38.460 0.066 0.000 1.135 429 Y HN 0.697 nan 8.280 nan 0.000 0.477 430 W N 7.896 129.419 121.300 0.372 0.000 2.587 430 W HA 0.644 5.306 4.660 0.003 0.000 0.324 430 W C -1.337 175.288 176.519 0.175 0.000 1.040 430 W CA -0.793 56.736 57.345 0.306 0.000 1.222 430 W CB 1.799 31.497 29.460 0.397 0.000 1.381 430 W HN 0.411 nan 8.180 nan 0.000 0.483 431 V N 1.336 121.459 119.914 0.349 0.000 2.962 431 V HA 0.875 4.997 4.120 0.003 0.000 0.313 431 V C 0.450 176.725 176.094 0.301 0.000 1.099 431 V CA -0.319 62.135 62.300 0.255 0.000 0.971 431 V CB 1.237 33.145 31.823 0.142 0.000 1.028 431 V HN 1.038 nan 8.190 nan 0.000 0.430 432 G N 1.173 110.124 108.800 0.253 0.000 2.283 432 G HA2 0.249 4.211 3.960 0.003 0.000 0.280 432 G HA3 0.249 4.211 3.960 0.003 0.000 0.280 432 G C 0.614 175.699 174.900 0.309 0.000 1.029 432 G CA 0.611 45.851 45.100 0.233 0.000 0.840 432 G HN 2.378 nan 8.290 nan 0.000 0.505 433 G N -1.294 107.744 108.800 0.396 0.000 2.677 433 G HA2 0.558 4.520 3.960 0.003 0.000 0.291 433 G HA3 0.558 4.520 3.960 0.003 0.000 0.291 433 G C -1.141 173.871 174.900 0.187 0.000 1.435 433 G CA -0.158 45.214 45.100 0.455 0.000 0.826 433 G HN 0.663 nan 8.290 nan 0.000 0.491 434 N N 0.814 119.593 118.700 0.132 0.000 2.752 434 N HA 0.352 5.094 4.740 0.003 0.000 0.260 434 N C -1.559 173.654 175.510 -0.494 0.000 1.562 434 N CA -1.849 51.120 53.050 -0.134 0.000 0.788 434 N CB 2.157 40.641 38.487 -0.006 0.000 1.192 434 N HN 0.148 nan 8.380 nan 0.000 0.503 435 P HA -0.086 nan 4.420 nan 0.000 0.218 435 P C 0.882 177.564 177.300 -1.030 0.000 1.148 435 P CA 0.871 63.005 63.100 -1.611 0.000 0.822 435 P CB -0.005 30.721 31.700 -1.623 0.000 0.784 436 F N -0.880 118.618 119.950 -0.753 0.000 2.795 436 F HA -0.008 4.520 4.527 0.003 0.000 0.303 436 F C 1.989 177.562 175.800 -0.378 0.000 1.186 436 F CA 0.556 58.193 58.000 -0.605 0.000 1.415 436 F CB -0.243 38.417 39.000 -0.567 0.000 1.106 436 F HN -0.222 nan 8.300 nan 0.000 0.558 437 V N -1.722 118.071 119.914 -0.202 0.000 3.103 437 V HA -0.100 4.021 4.120 0.003 0.000 0.229 437 V C 2.172 178.226 176.094 -0.066 0.000 1.304 437 V CA 0.766 63.035 62.300 -0.053 0.000 1.298 437 V CB -0.308 31.567 31.823 0.087 0.000 1.093 437 V HN 0.399 nan 8.190 nan 0.000 0.489 438 H N -0.354 118.628 119.070 -0.146 0.000 2.502 438 H HA 0.011 4.568 4.556 0.003 0.000 0.283 438 H C 1.085 176.264 175.328 -0.249 0.000 1.015 438 H CA 0.606 56.526 56.048 -0.213 0.000 1.298 438 H CB 0.146 29.733 29.762 -0.293 0.000 1.411 438 H HN 0.512 nan 8.280 nan 0.000 0.556 439 H N 1.385 120.312 119.070 -0.238 0.000 2.505 439 H HA 0.187 4.745 4.556 0.003 0.000 0.351 439 H C -0.340 174.921 175.328 -0.110 0.000 1.151 439 H CA -0.476 55.526 56.048 -0.076 0.000 1.339 439 H CB 1.110 30.742 29.762 -0.216 0.000 1.483 439 H HN 0.197 nan 8.280 nan 0.000 0.558 440 Q N 1.447 120.786 119.800 -0.767 0.000 2.354 440 Q HA 0.179 4.520 4.340 0.003 0.000 0.244 440 Q C -0.500 175.275 176.000 -0.375 0.000 0.969 440 Q CA -0.005 55.514 55.803 -0.472 0.000 0.885 440 Q CB 0.405 28.905 28.738 -0.398 0.000 1.241 440 Q HN 0.750 nan 8.270 nan 0.000 0.461 441 D N 0.394 120.649 120.400 -0.242 0.000 3.278 441 D HA -0.190 4.452 4.640 0.003 0.000 0.233 441 D C 0.545 176.725 176.300 -0.200 0.000 1.149 441 D CA 0.284 54.174 54.000 -0.184 0.000 0.957 441 D CB -0.131 40.582 40.800 -0.145 0.000 0.913 441 D HN 0.631 nan 8.370 nan 0.000 0.409 442 R N 2.090 122.435 120.500 -0.258 0.000 2.083 442 R HA -0.087 4.254 4.340 0.003 0.000 0.237 442 R C 1.889 178.037 176.300 -0.254 0.000 1.137 442 R CA 2.233 58.113 56.100 -0.368 0.000 0.951 442 R CB -0.218 29.724 30.300 -0.596 0.000 0.851 442 R HN 0.418 nan 8.270 nan 0.000 0.434 443 N N 0.250 118.860 118.700 -0.149 0.000 2.166 443 N HA -0.187 4.554 4.740 0.003 0.000 0.186 443 N C 1.739 177.220 175.510 -0.049 0.000 1.019 443 N CA 1.349 54.363 53.050 -0.059 0.000 0.856 443 N CB -0.337 38.142 38.487 -0.015 0.000 0.993 443 N HN 0.320 nan 8.380 nan 0.000 0.426 444 R N 0.886 121.346 120.500 -0.066 0.000 2.092 444 R HA 0.009 4.351 4.340 0.003 0.000 0.231 444 R C 2.244 178.517 176.300 -0.044 0.000 1.119 444 R CA 0.867 56.939 56.100 -0.046 0.000 0.970 444 R CB -0.148 30.120 30.300 -0.052 0.000 0.864 444 R HN 0.172 nan 8.270 nan 0.000 0.440 445 M N 0.259 119.804 119.600 -0.092 0.000 2.132 445 M HA -0.125 4.356 4.480 0.003 0.000 0.263 445 M C 1.875 178.119 176.300 -0.092 0.000 1.065 445 M CA 1.434 56.662 55.300 -0.119 0.000 1.122 445 M CB 0.071 32.490 32.600 -0.302 0.000 1.365 445 M HN 0.093 nan 8.290 nan 0.000 0.411 446 V N 1.348 121.196 119.914 -0.110 0.000 2.282 446 V HA -0.317 3.805 4.120 0.003 0.000 0.249 446 V C 2.427 178.606 176.094 0.142 0.000 1.057 446 V CA 2.296 64.632 62.300 0.060 0.000 1.032 446 V CB -0.822 31.061 31.823 0.100 0.000 0.645 446 V HN 0.500 nan 8.190 nan 0.000 0.447 447 K N 0.788 121.238 120.400 0.083 0.000 2.097 447 K HA -0.014 4.308 4.320 0.003 0.000 0.205 447 K C 1.996 178.641 176.600 0.075 0.000 1.050 447 K CA 1.694 58.027 56.287 0.076 0.000 0.938 447 K CB -0.676 31.847 32.500 0.039 0.000 0.718 447 K HN 0.386 nan 8.250 nan 0.000 0.442 448 A N -0.072 122.786 122.820 0.064 0.000 2.015 448 A HA -0.120 4.201 4.320 0.003 0.000 0.219 448 A C 2.072 179.681 177.584 0.042 0.000 1.163 448 A CA 0.973 53.024 52.037 0.023 0.000 0.646 448 A CB -1.015 17.973 19.000 -0.021 0.000 0.806 448 A HN 0.598 nan 8.150 nan 0.000 0.448 449 W N 0.926 122.149 121.300 -0.128 0.000 2.468 449 W HA -0.125 4.536 4.660 0.003 0.000 0.262 449 W C 1.452 177.942 176.519 -0.048 0.000 1.241 449 W CA 1.391 58.665 57.345 -0.118 0.000 1.232 449 W CB 0.022 29.452 29.460 -0.050 0.000 1.124 449 W HN 0.579 nan 8.180 nan 0.000 0.597 450 E N 0.023 120.299 120.200 0.126 0.000 2.333 450 E HA -0.213 4.139 4.350 0.003 0.000 0.198 450 E C 1.988 178.582 176.600 -0.009 0.000 1.007 450 E CA 0.614 57.057 56.400 0.073 0.000 0.845 450 E CB -0.193 29.550 29.700 0.071 0.000 0.766 450 E HN 0.209 nan 8.360 nan 0.000 0.507 451 K N 0.783 121.133 120.400 -0.083 0.000 2.211 451 K HA -0.060 4.262 4.320 0.003 0.000 0.203 451 K C 0.437 176.941 176.600 -0.160 0.000 1.050 451 K CA 0.346 56.555 56.287 -0.130 0.000 0.945 451 K CB 0.063 32.444 32.500 -0.199 0.000 0.732 451 K HN 0.084 nan 8.250 nan 0.000 0.451 452 L N 1.514 122.608 121.223 -0.214 0.000 2.331 452 L HA 0.071 4.412 4.340 0.003 0.000 0.278 452 L C 1.308 178.160 176.870 -0.030 0.000 1.106 452 L CA -0.186 54.539 54.840 -0.191 0.000 0.824 452 L CB 1.148 43.009 42.059 -0.331 0.000 1.142 452 L HN 0.106 nan 8.230 nan 0.000 0.443 453 E N 0.951 121.159 120.200 0.014 0.000 2.072 453 E HA -0.043 4.308 4.350 0.003 0.000 0.190 453 E C -0.160 176.574 176.600 0.224 0.000 0.982 453 E CA 1.007 57.486 56.400 0.132 0.000 0.803 453 E CB 0.246 30.041 29.700 0.158 0.000 0.755 453 E HN 0.624 nan 8.360 nan 0.000 0.453 454 T N 0.140 114.789 114.554 0.158 0.000 2.916 454 T HA 0.396 4.748 4.350 0.003 0.000 0.298 454 T C -1.460 173.335 174.700 0.157 0.000 1.031 454 T CA -0.590 61.574 62.100 0.107 0.000 0.993 454 T CB 1.591 70.548 68.868 0.148 0.000 1.045 454 T HN -0.056 nan 8.240 nan 0.000 0.454 455 F N 3.833 123.723 119.950 -0.100 0.000 2.577 455 F HA 0.645 5.174 4.527 0.003 0.000 0.344 455 F C -1.363 174.401 175.800 -0.061 0.000 1.145 455 F CA -1.376 56.646 58.000 0.036 0.000 0.996 455 F CB 0.832 39.975 39.000 0.237 0.000 1.248 455 F HN 0.305 nan 8.300 nan 0.000 0.447 456 V N 6.488 126.193 119.914 -0.348 0.000 2.459 456 V HA 0.724 4.845 4.120 0.003 0.000 0.295 456 V C -0.603 175.146 176.094 -0.576 0.000 1.029 456 V CA -0.787 61.159 62.300 -0.589 0.000 0.874 456 V CB 1.603 32.878 31.823 -0.914 0.000 0.985 456 V HN 0.532 nan 8.190 nan 0.000 0.438 457 V N 4.129 123.793 119.914 -0.416 0.000 2.789 457 V HA 0.529 4.651 4.120 0.003 0.000 0.311 457 V C -0.909 175.202 176.094 0.028 0.000 1.073 457 V CA -0.715 61.468 62.300 -0.195 0.000 0.921 457 V CB 2.347 33.970 31.823 -0.333 0.000 1.009 457 V HN 0.964 nan 8.190 nan 0.000 0.426 458 H N 2.530 121.594 119.070 -0.011 0.000 2.529 458 H HA 0.691 5.249 4.556 0.003 0.000 0.348 458 H C -1.097 174.200 175.328 -0.052 0.000 1.079 458 H CA -0.723 55.309 56.048 -0.026 0.000 1.198 458 H CB 2.391 32.183 29.762 0.051 0.000 1.521 458 H HN 0.623 nan 8.280 nan 0.000 0.514 459 D N 1.838 122.222 120.400 -0.027 0.000 2.665 459 D HA 0.031 4.673 4.640 0.003 0.000 0.287 459 D C -0.535 175.687 176.300 -0.132 0.000 1.266 459 D CA -0.588 53.326 54.000 -0.142 0.000 0.830 459 D CB 1.618 42.260 40.800 -0.262 0.000 1.356 459 D HN 0.448 nan 8.370 nan 0.000 0.437 460 F N -0.648 119.269 119.950 -0.056 0.000 2.704 460 F HA 0.465 4.994 4.527 0.003 0.000 0.304 460 F C 0.575 176.327 175.800 -0.080 0.000 1.094 460 F CA -0.267 57.691 58.000 -0.070 0.000 1.275 460 F CB 0.349 39.351 39.000 0.003 0.000 1.073 460 F HN -0.105 nan 8.300 nan 0.000 0.586 461 Q N 0.313 119.956 119.800 -0.261 0.000 2.365 461 Q HA 0.166 4.507 4.340 0.003 0.000 0.269 461 Q C -1.665 174.196 176.000 -0.232 0.000 1.061 461 Q CA -0.565 55.199 55.803 -0.066 0.000 0.816 461 Q CB 1.890 30.701 28.738 0.123 0.000 1.325 461 Q HN 0.492 nan 8.270 nan 0.000 0.446 462 W N 3.083 124.324 121.300 -0.099 0.000 1.564 462 W HA 0.055 4.717 4.660 0.003 0.000 0.480 462 W C 0.876 177.076 176.519 -0.531 0.000 0.699 462 W CA -0.081 57.124 57.345 -0.234 0.000 1.985 462 W CB 0.002 29.386 29.460 -0.127 0.000 1.738 462 W HN 0.404 nan 8.180 nan 0.000 0.218 463 T N -1.249 112.972 114.554 -0.554 0.000 2.754 463 T HA 0.148 4.500 4.350 0.003 0.000 0.286 463 T C -1.538 172.868 174.700 -0.490 0.000 0.997 463 T CA -1.361 60.135 62.100 -1.006 0.000 0.982 463 T CB 1.018 69.460 68.868 -0.709 0.000 1.027 463 T HN -0.061 nan 8.240 nan 0.000 0.529 464 P HA -0.074 nan 4.420 nan 0.000 0.217 464 P C 1.598 178.839 177.300 -0.098 0.000 1.148 464 P CA 1.142 64.176 63.100 -0.111 0.000 0.828 464 P CB -0.227 31.492 31.700 0.032 0.000 0.783 465 T N -0.783 113.677 114.554 -0.157 0.000 2.737 465 T HA -0.116 4.236 4.350 0.003 0.000 0.265 465 T C 1.895 176.523 174.700 -0.120 0.000 1.038 465 T CA 1.625 63.658 62.100 -0.111 0.000 1.144 465 T CB -0.952 67.881 68.868 -0.057 0.000 0.866 465 T HN 0.034 nan 8.240 nan 0.000 0.434 466 A N 1.798 124.527 122.820 -0.152 0.000 1.902 466 A HA -0.128 4.194 4.320 0.003 0.000 0.217 466 A C 2.330 179.979 177.584 0.109 0.000 1.181 466 A CA 1.417 53.355 52.037 -0.166 0.000 0.623 466 A CB -0.518 18.247 19.000 -0.392 0.000 0.818 466 A HN 0.411 nan 8.150 nan 0.000 0.443 467 R N -1.537 119.083 120.500 0.200 0.000 2.152 467 R HA -0.136 4.206 4.340 0.003 0.000 0.232 467 R C 1.185 177.533 176.300 0.081 0.000 1.117 467 R CA 1.518 57.772 56.100 0.257 0.000 0.981 467 R CB -0.331 29.974 30.300 0.007 0.000 0.870 467 R HN 0.702 nan 8.270 nan 0.000 0.451 468 H N -0.752 118.231 119.070 -0.145 0.000 2.529 468 H HA 0.300 4.857 4.556 0.003 0.000 0.277 468 H C 0.089 175.472 175.328 0.091 0.000 1.004 468 H CA 0.038 55.949 56.048 -0.228 0.000 1.167 468 H CB 0.488 29.641 29.762 -1.014 0.000 1.445 468 H HN 0.174 nan 8.280 nan 0.000 0.554 469 A N 0.008 122.933 122.820 0.175 0.000 2.304 469 A HA 0.117 4.438 4.320 0.003 0.000 0.271 469 A C 0.760 178.416 177.584 0.120 0.000 1.091 469 A CA -0.423 51.619 52.037 0.008 0.000 0.812 469 A CB 0.603 19.422 19.000 -0.303 0.000 1.056 469 A HN 0.281 nan 8.150 nan 0.000 0.489 470 D N -0.117 120.263 120.400 -0.033 0.000 2.183 470 D HA 0.101 4.742 4.640 0.003 0.000 0.205 470 D C 0.092 176.306 176.300 -0.143 0.000 0.962 470 D CA 1.504 55.393 54.000 -0.184 0.000 0.849 470 D CB 0.126 40.501 40.800 -0.709 0.000 0.978 470 D HN 0.495 nan 8.370 nan 0.000 0.488 471 I N 0.815 121.267 120.570 -0.197 0.000 2.499 471 I HA 0.212 4.384 4.170 0.003 0.000 0.288 471 I C -0.975 175.030 176.117 -0.187 0.000 1.048 471 I CA -0.747 60.465 61.300 -0.147 0.000 1.062 471 I CB 3.062 40.950 38.000 -0.187 0.000 1.238 471 I HN -0.408 nan 8.210 nan 0.000 0.426 472 V N 6.948 126.746 119.914 -0.193 0.000 2.444 472 V HA 0.495 4.616 4.120 0.003 0.000 0.294 472 V C -0.239 175.655 176.094 -0.334 0.000 1.022 472 V CA -0.505 61.610 62.300 -0.309 0.000 0.850 472 V CB 1.918 33.444 31.823 -0.495 0.000 0.992 472 V HN 0.467 nan 8.190 nan 0.000 0.426 473 L N 6.979 128.035 121.223 -0.278 0.000 2.329 473 L HA 0.572 4.914 4.340 0.003 0.000 0.279 473 L C -2.443 174.277 176.870 -0.251 0.000 1.014 473 L CA -1.854 52.783 54.840 -0.338 0.000 0.814 473 L CB 2.737 44.620 42.059 -0.293 0.000 1.257 473 L HN 0.392 nan 8.230 nan 0.000 0.424 474 P HA 0.224 nan 4.420 nan 0.000 0.287 474 P C -0.751 176.597 177.300 0.079 0.000 1.307 474 P CA -0.174 62.879 63.100 -0.078 0.000 0.777 474 P CB 1.463 33.128 31.700 -0.058 0.000 0.883 475 A N 4.175 127.034 122.820 0.066 0.000 2.271 475 A HA 0.643 4.964 4.320 0.003 0.000 0.288 475 A C 0.659 178.324 177.584 0.137 0.000 1.094 475 A CA -0.247 51.862 52.037 0.120 0.000 0.828 475 A CB -0.012 19.113 19.000 0.208 0.000 1.091 475 A HN 0.571 nan 8.150 nan 0.000 0.493 476 T N -0.918 113.668 114.554 0.054 0.000 2.874 476 T HA 0.554 4.905 4.350 0.003 0.000 0.281 476 T C 0.608 175.205 174.700 -0.172 0.000 0.994 476 T CA 0.107 62.171 62.100 -0.061 0.000 1.015 476 T CB 0.755 69.550 68.868 -0.121 0.000 1.028 476 T HN 1.062 nan 8.240 nan 0.000 0.523 477 T N -1.105 113.171 114.554 -0.464 0.000 2.788 477 T HA 0.284 4.636 4.350 0.003 0.000 0.280 477 T C 1.458 175.810 174.700 -0.579 0.000 0.984 477 T CA -0.568 61.071 62.100 -0.768 0.000 0.972 477 T CB 0.427 68.781 68.868 -0.857 0.000 1.039 477 T HN 0.464 nan 8.240 nan 0.000 0.530 478 S N -0.081 115.147 115.700 -0.788 0.000 2.442 478 S HA -0.034 4.438 4.470 0.003 0.000 0.236 478 S C 1.267 175.476 174.600 -0.652 0.000 1.007 478 S CA 0.761 58.547 58.200 -0.690 0.000 0.965 478 S CB -0.699 62.070 63.200 -0.719 0.000 0.773 478 S HN 0.747 nan 8.310 nan 0.000 0.504 479 Y N 1.340 121.607 120.300 -0.056 0.000 2.578 479 Y HA 0.172 4.723 4.550 0.003 0.000 0.297 479 Y C 1.552 177.427 175.900 -0.042 0.000 1.176 479 Y CA -0.084 58.017 58.100 0.001 0.000 1.315 479 Y CB -0.565 37.963 38.460 0.113 0.000 1.031 479 Y HN 0.308 nan 8.280 nan 0.000 0.524 480 E N 0.534 120.673 120.200 -0.102 0.000 2.548 480 E HA 0.187 4.538 4.350 0.003 0.000 0.206 480 E C 0.301 176.834 176.600 -0.110 0.000 1.005 480 E CA -0.226 56.123 56.400 -0.085 0.000 0.951 480 E CB 0.482 30.111 29.700 -0.118 0.000 1.035 480 E HN 0.374 nan 8.360 nan 0.000 0.470 481 R N -0.826 119.594 120.500 -0.133 0.000 2.781 481 R HA 0.418 4.759 4.340 0.003 0.000 0.268 481 R C -1.074 175.218 176.300 -0.014 0.000 1.047 481 R CA -0.912 55.110 56.100 -0.129 0.000 0.925 481 R CB 0.682 30.735 30.300 -0.412 0.000 1.246 481 R HN -0.190 nan 8.270 nan 0.000 0.456 482 N N 0.066 118.831 118.700 0.109 0.000 2.417 482 N HA 0.384 5.126 4.740 0.003 0.000 0.300 482 N C -1.308 174.397 175.510 0.325 0.000 1.102 482 N CA -0.213 52.980 53.050 0.239 0.000 0.886 482 N CB 1.641 40.292 38.487 0.275 0.000 1.203 482 N HN 0.510 nan 8.380 nan 0.000 0.496 483 D N 0.286 120.897 120.400 0.351 0.000 2.768 483 D HA 0.506 5.148 4.640 0.003 0.000 0.327 483 D C -1.313 175.216 176.300 0.383 0.000 1.302 483 D CA -0.411 53.788 54.000 0.332 0.000 0.897 483 D CB 2.378 43.330 40.800 0.253 0.000 1.420 483 D HN 0.367 nan 8.370 nan 0.000 0.494 484 I N 0.644 121.411 120.570 0.328 0.000 2.722 484 I HA 0.551 4.723 4.170 0.003 0.000 0.295 484 I C -1.792 174.442 176.117 0.195 0.000 1.161 484 I CA -0.375 61.139 61.300 0.357 0.000 1.032 484 I CB 2.038 40.369 38.000 0.552 0.000 1.244 484 I HN 0.314 nan 8.210 nan 0.000 0.421 485 E N 3.383 123.667 120.200 0.139 0.000 2.388 485 E HA 0.404 4.755 4.350 0.003 0.000 0.280 485 E C -1.479 175.145 176.600 0.039 0.000 1.019 485 E CA -0.434 55.992 56.400 0.045 0.000 0.806 485 E CB 2.119 31.800 29.700 -0.032 0.000 1.246 485 E HN 0.533 nan 8.360 nan 0.000 0.443 486 T N 2.906 117.474 114.554 0.022 0.000 2.919 486 T HA 0.376 4.727 4.350 0.003 0.000 0.302 486 T C 0.274 174.979 174.700 0.008 0.000 1.031 486 T CA 0.033 62.157 62.100 0.040 0.000 1.127 486 T CB -0.015 68.874 68.868 0.036 0.000 0.952 486 T HN 0.283 nan 8.240 nan 0.000 0.540 487 I N 2.803 123.383 120.570 0.017 0.000 2.297 487 I HA 0.494 4.666 4.170 0.003 0.000 0.291 487 I C 0.872 177.026 176.117 0.061 0.000 1.033 487 I CA 0.004 61.310 61.300 0.010 0.000 1.253 487 I CB 0.655 38.648 38.000 -0.011 0.000 1.396 487 I HN 0.875 nan 8.210 nan 0.000 0.476 488 G N 4.713 113.543 108.800 0.051 0.000 3.383 488 G HA2 -0.162 3.799 3.960 0.003 0.000 0.685 488 G HA3 -0.162 3.799 3.960 0.003 0.000 0.685 488 G C 0.060 174.976 174.900 0.027 0.000 1.104 488 G CA -0.731 44.413 45.100 0.073 0.000 0.957 488 G HN 0.737 nan 8.290 nan 0.000 0.461 489 D N 0.563 120.938 120.400 -0.042 0.000 2.182 489 D HA -0.124 4.517 4.640 0.003 0.000 0.201 489 D C 1.479 177.546 176.300 -0.389 0.000 0.986 489 D CA 2.021 55.879 54.000 -0.235 0.000 0.847 489 D CB 0.290 40.852 40.800 -0.397 0.000 0.942 489 D HN 0.665 nan 8.370 nan 0.000 0.467 490 Y N -0.198 120.133 120.300 0.052 0.000 2.607 490 Y HA -0.002 4.550 4.550 0.003 0.000 0.276 490 Y C 2.631 178.556 175.900 0.042 0.000 1.117 490 Y CA 0.336 58.457 58.100 0.035 0.000 1.273 490 Y CB -0.206 38.276 38.460 0.036 0.000 1.282 490 Y HN -0.106 nan 8.280 nan 0.000 0.514 491 S N 0.016 115.860 115.700 0.239 0.000 2.406 491 S HA -0.136 4.336 4.470 0.003 0.000 0.228 491 S C 1.015 175.713 174.600 0.163 0.000 1.020 491 S CA 0.792 59.107 58.200 0.191 0.000 0.965 491 S CB -0.570 62.751 63.200 0.201 0.000 0.798 491 S HN 0.498 nan 8.310 nan 0.000 0.488 492 N N 1.100 119.889 118.700 0.149 0.000 2.714 492 N HA -0.141 4.601 4.740 0.003 0.000 0.253 492 N C 0.400 176.079 175.510 0.280 0.000 1.024 492 N CA 0.927 54.092 53.050 0.190 0.000 0.726 492 N CB -1.975 36.600 38.487 0.146 0.000 0.908 492 N HN 0.521 nan 8.380 nan 0.000 0.542 493 T N -1.497 113.179 114.554 0.202 0.000 2.720 493 T HA 0.169 4.521 4.350 0.003 0.000 0.268 493 T C 1.154 175.901 174.700 0.078 0.000 1.037 493 T CA 1.536 63.742 62.100 0.176 0.000 1.144 493 T CB -0.131 68.843 68.868 0.177 0.000 0.864 493 T HN 0.768 nan 8.240 nan 0.000 0.444 494 G N -0.697 108.110 108.800 0.010 0.000 2.427 494 G HA2 0.561 4.522 3.960 0.003 0.000 0.306 494 G HA3 0.561 4.522 3.960 0.003 0.000 0.306 494 G C -2.043 172.794 174.900 -0.105 0.000 1.280 494 G CA -0.948 43.949 45.100 -0.338 0.000 0.837 494 G HN 0.220 nan 8.290 nan 0.000 0.482 495 I N 0.336 120.818 120.570 -0.147 0.000 2.509 495 I HA 0.543 4.715 4.170 0.003 0.000 0.293 495 I C -1.071 175.123 176.117 0.128 0.000 1.020 495 I CA -0.831 60.500 61.300 0.051 0.000 1.088 495 I CB 2.086 40.136 38.000 0.083 0.000 1.267 495 I HN 0.437 nan 8.210 nan 0.000 0.430 496 L N 5.846 127.126 121.223 0.095 0.000 2.346 496 L HA 0.775 5.116 4.340 0.003 0.000 0.274 496 L C -0.260 176.617 176.870 0.012 0.000 1.007 496 L CA -0.199 54.619 54.840 -0.037 0.000 0.818 496 L CB 1.717 43.649 42.059 -0.212 0.000 1.284 496 L HN 0.661 nan 8.230 nan 0.000 0.424 497 A N 5.893 128.513 122.820 -0.334 0.000 2.302 497 A HA 0.487 4.809 4.320 0.003 0.000 0.295 497 A C -0.075 177.192 177.584 -0.527 0.000 1.235 497 A CA -0.314 51.331 52.037 -0.654 0.000 0.876 497 A CB -0.303 17.604 19.000 -1.822 0.000 1.133 497 A HN 0.814 nan 8.150 nan 0.000 0.533 498 M N 3.856 123.330 119.600 -0.209 0.000 2.974 498 M HA 0.103 4.585 4.480 0.003 0.000 0.301 498 M C -0.021 176.210 176.300 -0.115 0.000 1.409 498 M CA 0.313 55.507 55.300 -0.177 0.000 1.515 498 M CB -0.195 32.368 32.600 -0.062 0.000 1.163 498 M HN 0.556 nan 8.290 nan 0.000 0.520 499 K N 1.823 122.081 120.400 -0.236 0.000 2.355 499 K HA 0.137 4.458 4.320 0.003 0.000 0.270 499 K C 0.170 176.767 176.600 -0.005 0.000 1.003 499 K CA -0.243 55.995 56.287 -0.082 0.000 0.957 499 K CB 0.771 33.147 32.500 -0.206 0.000 0.939 499 K HN 0.370 nan 8.250 nan 0.000 0.482 500 K N 2.546 122.989 120.400 0.072 0.000 2.484 500 K HA -0.053 4.269 4.320 0.003 0.000 0.280 500 K C 0.335 176.962 176.600 0.045 0.000 1.013 500 K CA 0.254 56.573 56.287 0.053 0.000 1.029 500 K CB 0.355 32.889 32.500 0.057 0.000 0.902 500 K HN 0.514 nan 8.250 nan 0.000 0.481 501 I N 3.548 124.164 120.570 0.076 0.000 2.899 501 I HA -0.011 4.161 4.170 0.003 0.000 0.257 501 I C 0.282 176.455 176.117 0.092 0.000 1.115 501 I CA 0.084 61.442 61.300 0.097 0.000 1.451 501 I CB 0.654 38.763 38.000 0.181 0.000 1.251 501 I HN 0.475 nan 8.210 nan 0.000 0.456 502 V N -2.454 117.515 119.914 0.092 0.000 3.102 502 V HA 0.531 4.653 4.120 0.003 0.000 0.312 502 V C -0.664 175.447 176.094 0.027 0.000 1.135 502 V CA -1.021 61.320 62.300 0.069 0.000 1.022 502 V CB 1.829 33.712 31.823 0.100 0.000 1.056 502 V HN -0.079 nan 8.190 nan 0.000 0.436 503 E N 1.653 121.861 120.200 0.013 0.000 2.383 503 E HA 0.367 4.719 4.350 0.003 0.000 0.264 503 E C -2.542 174.038 176.600 -0.033 0.000 1.050 503 E CA -2.139 54.255 56.400 -0.009 0.000 0.896 503 E CB 0.350 30.046 29.700 -0.007 0.000 0.982 503 E HN 0.598 nan 8.360 nan 0.000 0.424 504 P HA -0.063 nan 4.420 nan 0.000 0.261 504 P C -0.427 176.836 177.300 -0.061 0.000 1.173 504 P CA 0.176 63.244 63.100 -0.052 0.000 0.760 504 P CB 0.299 31.977 31.700 -0.037 0.000 0.783 505 L N 5.409 126.577 121.223 -0.092 0.000 2.395 505 L HA 0.209 4.551 4.340 0.003 0.000 0.269 505 L C 0.700 177.536 176.870 -0.056 0.000 1.133 505 L CA 0.432 55.152 54.840 -0.201 0.000 0.812 505 L CB -0.508 41.392 42.059 -0.265 0.000 1.125 505 L HN 0.488 nan 8.230 nan 0.000 0.452 506 Y N 0.461 120.770 120.300 0.015 0.000 2.875 506 Y HA -0.401 4.150 4.550 0.003 0.000 0.467 506 Y C 1.166 177.117 175.900 0.085 0.000 1.183 506 Y CA 1.275 59.381 58.100 0.010 0.000 2.568 506 Y CB -0.839 37.533 38.460 -0.147 0.000 1.216 506 Y HN 0.636 nan 8.280 nan 0.000 0.629 507 E N 1.340 121.730 120.200 0.316 0.000 2.437 507 E HA 0.513 4.864 4.350 0.003 0.000 0.195 507 E C 0.085 176.959 176.600 0.457 0.000 1.029 507 E CA 0.291 56.935 56.400 0.408 0.000 0.948 507 E CB 0.219 30.231 29.700 0.521 0.000 1.082 507 E HN 0.475 nan 8.360 nan 0.000 0.456 508 A N 1.697 124.678 122.820 0.267 0.000 2.445 508 A HA 0.310 4.631 4.320 0.003 0.000 0.242 508 A C 0.201 177.859 177.584 0.124 0.000 1.075 508 A CA 0.251 52.418 52.037 0.217 0.000 0.777 508 A CB 0.395 19.464 19.000 0.115 0.000 1.013 508 A HN 0.171 nan 8.150 nan 0.000 0.493 509 R N 0.460 121.003 120.500 0.072 0.000 2.771 509 R HA 0.478 4.819 4.340 0.003 0.000 0.274 509 R C -0.111 176.144 176.300 -0.076 0.000 0.987 509 R CA -0.374 55.651 56.100 -0.126 0.000 0.908 509 R CB 2.039 32.051 30.300 -0.480 0.000 1.213 509 R HN 0.930 nan 8.270 nan 0.000 0.468 510 S N 0.015 115.681 115.700 -0.057 0.000 2.573 510 S HA -0.007 4.465 4.470 0.003 0.000 0.277 510 S C 0.533 175.174 174.600 0.068 0.000 1.346 510 S CA -0.398 57.814 58.200 0.020 0.000 1.034 510 S CB 0.691 63.937 63.200 0.076 0.000 0.879 510 S HN 0.563 nan 8.310 nan 0.000 0.528 511 D N 0.494 120.993 120.400 0.166 0.000 2.144 511 D HA -0.154 4.488 4.640 0.003 0.000 0.199 511 D C 1.427 177.894 176.300 0.279 0.000 0.984 511 D CA 1.568 55.682 54.000 0.190 0.000 0.834 511 D CB -0.238 40.794 40.800 0.386 0.000 0.955 511 D HN 0.789 nan 8.370 nan 0.000 0.465 512 Y N 2.389 122.865 120.300 0.293 0.000 2.097 512 Y HA -0.242 4.310 4.550 0.003 0.000 0.282 512 Y C 1.844 177.866 175.900 0.204 0.000 1.152 512 Y CA 1.795 60.094 58.100 0.333 0.000 1.136 512 Y CB -0.210 38.408 38.460 0.264 0.000 0.975 512 Y HN -0.180 nan 8.280 nan 0.000 0.498 513 D N 0.078 120.675 120.400 0.329 0.000 2.144 513 D HA -0.188 4.453 4.640 0.003 0.000 0.199 513 D C 2.251 178.462 176.300 -0.148 0.000 0.984 513 D CA 1.855 55.913 54.000 0.096 0.000 0.834 513 D CB -0.331 40.467 40.800 -0.002 0.000 0.955 513 D HN 0.480 nan 8.370 nan 0.000 0.465 514 I N -0.288 120.142 120.570 -0.234 0.000 2.202 514 I HA -0.228 3.943 4.170 0.003 0.000 0.242 514 I C 1.898 177.832 176.117 -0.306 0.000 1.091 514 I CA 0.706 61.801 61.300 -0.342 0.000 1.368 514 I CB -0.180 37.536 38.000 -0.472 0.000 1.058 514 I HN -0.108 nan 8.210 nan 0.000 0.410 515 F N 1.014 120.833 119.950 -0.218 0.000 2.234 515 F HA -0.085 4.443 4.527 0.003 0.000 0.299 515 F C 2.577 177.747 175.800 -1.051 0.000 1.087 515 F CA 0.976 58.664 58.000 -0.520 0.000 1.340 515 F CB -1.026 37.695 39.000 -0.464 0.000 1.031 515 F HN -0.018 nan 8.300 nan 0.000 0.500 516 A N 0.083 122.379 122.820 -0.874 0.000 1.902 516 A HA -0.078 4.244 4.320 0.003 0.000 0.217 516 A C 2.457 179.849 177.584 -0.321 0.000 1.181 516 A CA 1.862 53.478 52.037 -0.702 0.000 0.623 516 A CB -1.265 17.591 19.000 -0.240 0.000 0.818 516 A HN 0.288 nan 8.150 nan 0.000 0.443 517 A N -0.656 122.033 122.820 -0.218 0.000 1.898 517 A HA 0.046 4.367 4.320 0.003 0.000 0.216 517 A C 2.231 179.766 177.584 -0.082 0.000 1.181 517 A CA 1.684 53.651 52.037 -0.116 0.000 0.620 517 A CB -0.880 18.054 19.000 -0.111 0.000 0.819 517 A HN 0.367 nan 8.150 nan 0.000 0.442 518 V N -0.051 119.809 119.914 -0.091 0.000 2.261 518 V HA -0.262 3.859 4.120 0.003 0.000 0.246 518 V C 3.077 179.144 176.094 -0.044 0.000 1.047 518 V CA 2.011 64.303 62.300 -0.014 0.000 1.015 518 V CB -1.284 30.579 31.823 0.067 0.000 0.642 518 V HN 0.607 nan 8.190 nan 0.000 0.446 519 A N 0.049 122.776 122.820 -0.155 0.000 1.940 519 A HA -0.284 4.037 4.320 0.003 0.000 0.219 519 A C 2.189 179.752 177.584 -0.035 0.000 1.176 519 A CA 2.166 54.138 52.037 -0.107 0.000 0.631 519 A CB -0.537 18.350 19.000 -0.187 0.000 0.814 519 A HN 0.630 nan 8.150 nan 0.000 0.446 520 E N 0.174 120.347 120.200 -0.044 0.000 2.077 520 E HA -0.194 4.158 4.350 0.003 0.000 0.193 520 E C 2.081 178.689 176.600 0.012 0.000 0.989 520 E CA 1.643 58.042 56.400 -0.002 0.000 0.800 520 E CB -0.270 29.427 29.700 -0.004 0.000 0.746 520 E HN 0.581 nan 8.360 nan 0.000 0.452 521 R N -0.443 120.064 120.500 0.012 0.000 2.152 521 R HA -0.001 4.340 4.340 0.003 0.000 0.232 521 R C 1.826 178.147 176.300 0.036 0.000 1.117 521 R CA 1.210 57.327 56.100 0.029 0.000 0.981 521 R CB -0.203 30.122 30.300 0.041 0.000 0.870 521 R HN 0.274 nan 8.270 nan 0.000 0.451 522 L N -0.526 120.717 121.223 0.034 0.000 2.612 522 L HA 0.230 4.571 4.340 0.003 0.000 0.230 522 L C 0.955 177.848 176.870 0.038 0.000 1.140 522 L CA 0.212 55.076 54.840 0.041 0.000 0.896 522 L CB 0.333 42.419 42.059 0.045 0.000 1.065 522 L HN 0.384 nan 8.230 nan 0.000 0.447 523 G N 0.405 109.225 108.800 0.034 0.000 2.143 523 G HA2 -0.250 3.711 3.960 0.003 0.000 0.248 523 G HA3 -0.250 3.711 3.960 0.003 0.000 0.248 523 G C 0.602 175.527 174.900 0.042 0.000 0.991 523 G CA -0.025 45.096 45.100 0.035 0.000 0.689 523 G HN 0.272 nan 8.290 nan 0.000 0.522 524 K N -0.013 120.415 120.400 0.048 0.000 2.676 524 K HA 0.319 4.641 4.320 0.003 0.000 0.205 524 K C 2.005 178.661 176.600 0.092 0.000 1.084 524 K CA 0.380 56.708 56.287 0.067 0.000 1.057 524 K CB 0.458 33.002 32.500 0.073 0.000 0.791 524 K HN 0.316 nan 8.250 nan 0.000 0.484 525 G N 1.455 110.299 108.800 0.073 0.000 2.459 525 G HA2 -0.302 3.659 3.960 0.003 0.000 0.217 525 G HA3 -0.302 3.659 3.960 0.003 0.000 0.217 525 G C 1.489 176.475 174.900 0.144 0.000 1.183 525 G CA 1.261 46.415 45.100 0.090 0.000 0.776 525 G HN 0.344 nan 8.290 nan 0.000 0.552 526 A N 0.746 123.631 122.820 0.108 0.000 1.933 526 A HA -0.001 4.320 4.320 0.003 0.000 0.218 526 A C 2.221 179.879 177.584 0.124 0.000 1.175 526 A CA 2.178 54.278 52.037 0.105 0.000 0.628 526 A CB -0.359 18.679 19.000 0.063 0.000 0.814 526 A HN 0.371 nan 8.150 nan 0.000 0.444 527 E N -1.129 119.143 120.200 0.121 0.000 2.153 527 E HA -0.109 4.243 4.350 0.003 0.000 0.194 527 E C 1.572 178.265 176.600 0.155 0.000 0.988 527 E CA 1.145 57.614 56.400 0.114 0.000 0.811 527 E CB -0.381 29.376 29.700 0.095 0.000 0.746 527 E HN 0.709 nan 8.360 nan 0.000 0.466 528 F N 0.854 120.835 119.950 0.052 0.000 2.128 528 F HA -0.164 4.365 4.527 0.003 0.000 0.295 528 F C 2.366 178.249 175.800 0.138 0.000 1.100 528 F CA 1.803 59.822 58.000 0.033 0.000 1.260 528 F CB -0.354 38.620 39.000 -0.043 0.000 1.009 528 F HN 0.082 nan 8.300 nan 0.000 0.476 529 T N -2.927 111.841 114.554 0.357 0.000 3.043 529 T HA 0.009 4.360 4.350 0.003 0.000 0.263 529 T C 1.135 176.079 174.700 0.407 0.000 1.094 529 T CA 0.911 63.292 62.100 0.468 0.000 1.127 529 T CB -0.073 69.044 68.868 0.415 0.000 0.905 529 T HN 0.293 nan 8.240 nan 0.000 0.490 530 E N 0.632 120.957 120.200 0.209 0.000 3.070 530 E HA -0.166 4.186 4.350 0.003 0.000 0.285 530 E C 1.066 177.609 176.600 -0.095 0.000 0.972 530 E CA 1.235 57.661 56.400 0.044 0.000 0.915 530 E CB -1.958 27.760 29.700 0.030 0.000 1.466 530 E HN 1.180 nan 8.360 nan 0.000 0.432 531 G N -0.912 107.870 108.800 -0.031 0.000 2.168 531 G HA2 -0.406 3.556 3.960 0.003 0.000 0.263 531 G HA3 -0.406 3.556 3.960 0.003 0.000 0.263 531 G C 0.347 175.142 174.900 -0.175 0.000 0.977 531 G CA 0.880 45.933 45.100 -0.080 0.000 0.659 531 G HN 0.442 nan 8.290 nan 0.000 0.533 532 K N 0.531 120.753 120.400 -0.298 0.000 2.123 532 K HA 0.547 4.868 4.320 0.003 0.000 0.248 532 K C -0.153 176.331 176.600 -0.194 0.000 0.969 532 K CA -0.285 55.717 56.287 -0.475 0.000 0.882 532 K CB 0.996 32.727 32.500 -1.282 0.000 1.080 532 K HN 0.322 nan 8.250 nan 0.000 0.441 533 D N -0.881 119.412 120.400 -0.179 0.000 2.506 533 D HA 0.025 4.666 4.640 0.003 0.000 0.254 533 D C 0.800 177.071 176.300 -0.048 0.000 1.089 533 D CA -0.619 53.353 54.000 -0.045 0.000 1.050 533 D CB 0.511 41.276 40.800 -0.058 0.000 1.221 533 D HN 0.610 nan 8.370 nan 0.000 0.589 534 E N -0.794 119.359 120.200 -0.080 0.000 2.048 534 E HA -0.247 4.104 4.350 0.003 0.000 0.202 534 E C 1.776 178.312 176.600 -0.107 0.000 1.021 534 E CA 1.518 57.854 56.400 -0.106 0.000 0.825 534 E CB -0.036 29.628 29.700 -0.060 0.000 0.756 534 E HN 0.354 nan 8.360 nan 0.000 0.454 535 M N -0.004 119.508 119.600 -0.147 0.000 2.229 535 M HA -0.030 4.451 4.480 0.003 0.000 0.264 535 M C 2.381 178.495 176.300 -0.310 0.000 1.063 535 M CA 1.396 56.558 55.300 -0.230 0.000 1.114 535 M CB -1.205 31.257 32.600 -0.231 0.000 1.387 535 M HN 0.291 nan 8.290 nan 0.000 0.420 536 G N -1.299 107.325 108.800 -0.293 0.000 2.402 536 G HA2 -0.213 3.748 3.960 0.003 0.000 0.216 536 G HA3 -0.213 3.748 3.960 0.003 0.000 0.216 536 G C 1.425 176.032 174.900 -0.489 0.000 1.162 536 G CA 0.212 45.077 45.100 -0.393 0.000 0.777 536 G HN 0.442 nan 8.290 nan 0.000 0.539 537 W N 0.718 121.732 121.300 -0.477 0.000 2.354 537 W HA 0.034 4.696 4.660 0.003 0.000 0.315 537 W C 2.597 178.419 176.519 -1.162 0.000 1.206 537 W CA 0.381 57.287 57.345 -0.730 0.000 1.290 537 W CB -0.214 28.933 29.460 -0.522 0.000 1.152 537 W HN 0.087 nan 8.180 nan 0.000 0.489 538 I N 0.408 120.713 120.570 -0.441 0.000 2.194 538 I HA -0.378 3.794 4.170 0.003 0.000 0.246 538 I C 2.443 178.327 176.117 -0.388 0.000 1.093 538 I CA 1.676 62.801 61.300 -0.290 0.000 1.355 538 I CB -0.629 37.355 38.000 -0.028 0.000 1.046 538 I HN -0.004 nan 8.210 nan 0.000 0.413 539 K N 0.869 120.845 120.400 -0.707 0.000 2.097 539 K HA -0.172 4.150 4.320 0.003 0.000 0.205 539 K C 2.319 178.612 176.600 -0.512 0.000 1.050 539 K CA 1.645 57.282 56.287 -1.084 0.000 0.938 539 K CB -0.037 31.642 32.500 -1.368 0.000 0.718 539 K HN 0.370 nan 8.250 nan 0.000 0.442 540 S N -0.025 115.386 115.700 -0.482 0.000 2.402 540 S HA -0.125 4.347 4.470 0.003 0.000 0.229 540 S C 1.758 176.298 174.600 -0.100 0.000 1.021 540 S CA 0.742 58.761 58.200 -0.302 0.000 0.974 540 S CB -0.537 62.453 63.200 -0.351 0.000 0.800 540 S HN 0.252 nan 8.310 nan 0.000 0.484 541 F N 0.923 120.887 119.950 0.023 0.000 2.146 541 F HA 0.125 4.653 4.527 0.003 0.000 0.298 541 F C 2.434 178.255 175.800 0.034 0.000 1.096 541 F CA 0.131 58.157 58.000 0.044 0.000 1.275 541 F CB -1.654 37.393 39.000 0.078 0.000 1.008 541 F HN 0.277 nan 8.300 nan 0.000 0.480 542 Y N 1.314 121.689 120.300 0.125 0.000 2.200 542 Y HA -0.208 4.343 4.550 0.002 0.000 0.290 542 Y C 2.049 177.968 175.900 0.033 0.000 1.137 542 Y CA 1.724 59.872 58.100 0.079 0.000 1.163 542 Y CB -0.537 38.043 38.460 0.199 0.000 0.988 542 Y HN -0.057 nan 8.280 nan 0.000 0.518 543 D N 0.234 120.666 120.400 0.054 0.000 2.144 543 D HA -0.171 4.471 4.640 0.003 0.000 0.199 543 D C 1.689 177.937 176.300 -0.087 0.000 0.984 543 D CA 1.631 55.624 54.000 -0.011 0.000 0.834 543 D CB -0.343 40.452 40.800 -0.008 0.000 0.955 543 D HN 0.435 nan 8.370 nan 0.000 0.465 544 D N 0.187 120.555 120.400 -0.053 0.000 2.097 544 D HA -0.087 4.554 4.640 0.003 0.000 0.195 544 D C 2.022 178.262 176.300 -0.100 0.000 0.989 544 D CA 1.418 55.391 54.000 -0.045 0.000 0.827 544 D CB -0.416 40.397 40.800 0.021 0.000 0.966 544 D HN 0.148 nan 8.370 nan 0.000 0.456 545 A N 0.930 123.664 122.820 -0.144 0.000 1.902 545 A HA -0.055 4.267 4.320 0.003 0.000 0.217 545 A C 2.287 179.710 177.584 -0.269 0.000 1.181 545 A CA 2.279 54.197 52.037 -0.199 0.000 0.623 545 A CB -0.725 18.150 19.000 -0.209 0.000 0.818 545 A HN 0.239 nan 8.150 nan 0.000 0.443 546 A N -0.357 122.230 122.820 -0.389 0.000 1.930 546 A HA -0.135 4.186 4.320 0.003 0.000 0.217 546 A C 2.123 179.618 177.584 -0.148 0.000 1.175 546 A CA 1.910 53.763 52.037 -0.308 0.000 0.627 546 A CB -0.411 18.388 19.000 -0.335 0.000 0.815 546 A HN 0.562 nan 8.150 nan 0.000 0.443 547 K N -0.308 120.022 120.400 -0.118 0.000 2.026 547 K HA -0.231 4.091 4.320 0.003 0.000 0.208 547 K C 2.352 178.906 176.600 -0.076 0.000 1.048 547 K CA 1.681 57.925 56.287 -0.072 0.000 0.929 547 K CB -0.233 32.232 32.500 -0.057 0.000 0.713 547 K HN 0.652 nan 8.250 nan 0.000 0.439 548 Q N -0.206 119.537 119.800 -0.095 0.000 2.084 548 Q HA -0.134 4.208 4.340 0.003 0.000 0.202 548 Q C 1.895 177.827 176.000 -0.114 0.000 0.978 548 Q CA 1.905 57.650 55.803 -0.097 0.000 0.844 548 Q CB -0.336 28.339 28.738 -0.105 0.000 0.898 548 Q HN 0.441 nan 8.270 nan 0.000 0.426 549 G N 1.236 109.950 108.800 -0.143 0.000 2.418 549 G HA2 -0.277 3.685 3.960 0.003 0.000 0.217 549 G HA3 -0.277 3.685 3.960 0.003 0.000 0.217 549 G C 1.434 176.281 174.900 -0.088 0.000 1.158 549 G CA 0.841 45.851 45.100 -0.151 0.000 0.771 549 G HN 0.346 nan 8.290 nan 0.000 0.545 550 K N 0.488 120.850 120.400 -0.065 0.000 2.009 550 K HA -0.072 4.249 4.320 0.003 0.000 0.210 550 K C 2.824 179.404 176.600 -0.034 0.000 1.049 550 K CA 1.342 57.609 56.287 -0.033 0.000 0.929 550 K CB -0.355 32.132 32.500 -0.021 0.000 0.714 550 K HN 0.209 nan 8.250 nan 0.000 0.440 551 A N 0.561 123.356 122.820 -0.042 0.000 2.024 551 A HA -0.115 4.207 4.320 0.003 0.000 0.220 551 A C 2.032 179.592 177.584 -0.039 0.000 1.164 551 A CA 1.928 53.943 52.037 -0.037 0.000 0.643 551 A CB -0.477 18.500 19.000 -0.039 0.000 0.806 551 A HN 0.476 nan 8.150 nan 0.000 0.451 552 A N -2.222 120.567 122.820 -0.053 0.000 2.275 552 A HA 0.444 4.765 4.320 0.003 0.000 0.212 552 A C 1.681 179.241 177.584 -0.040 0.000 1.201 552 A CA 1.078 53.084 52.037 -0.052 0.000 0.843 552 A CB -0.668 18.284 19.000 -0.080 0.000 0.873 552 A HN 1.855 nan 8.150 nan 0.000 0.492 553 G N -1.341 107.441 108.800 -0.030 0.000 2.132 553 G HA2 -0.180 3.782 3.960 0.003 0.000 0.234 553 G HA3 -0.180 3.782 3.960 0.003 0.000 0.234 553 G C 0.042 174.938 174.900 -0.008 0.000 0.989 553 G CA 0.104 45.197 45.100 -0.013 0.000 0.676 553 G HN 0.820 nan 8.290 nan 0.000 0.522 554 V N 1.119 121.017 119.914 -0.027 0.000 2.364 554 V HA 0.400 4.522 4.120 0.003 0.000 0.272 554 V C 0.511 176.622 176.094 0.027 0.000 1.036 554 V CA -0.601 61.693 62.300 -0.009 0.000 0.880 554 V CB 1.422 33.189 31.823 -0.094 0.000 0.991 554 V HN 0.391 nan 8.190 nan 0.000 0.460 555 E N 5.418 125.661 120.200 0.070 0.000 2.259 555 E HA 0.565 4.917 4.350 0.003 0.000 0.281 555 E C -0.688 175.991 176.600 0.132 0.000 1.027 555 E CA -0.156 56.294 56.400 0.083 0.000 0.838 555 E CB 1.337 31.084 29.700 0.077 0.000 1.066 555 E HN 0.575 nan 8.360 nan 0.000 0.401 556 M N 3.051 122.729 119.600 0.131 0.000 2.457 556 M HA 0.380 4.862 4.480 0.003 0.000 0.300 556 M C -2.379 174.050 176.300 0.215 0.000 1.141 556 M CA -2.098 53.319 55.300 0.194 0.000 0.901 556 M CB 1.978 34.676 32.600 0.162 0.000 1.687 556 M HN 0.313 nan 8.290 nan 0.000 0.449 557 P HA 0.354 nan 4.420 nan 0.000 0.272 557 P C -0.870 176.628 177.300 0.329 0.000 1.240 557 P CA -0.501 62.744 63.100 0.241 0.000 0.791 557 P CB 0.291 32.115 31.700 0.206 0.000 0.978 558 A N 0.744 123.708 122.820 0.241 0.000 2.386 558 A HA 0.076 4.397 4.320 0.003 0.000 0.246 558 A C 1.059 178.819 177.584 0.293 0.000 1.089 558 A CA -0.247 51.958 52.037 0.279 0.000 0.790 558 A CB -0.597 18.512 19.000 0.180 0.000 1.042 558 A HN 0.601 nan 8.150 nan 0.000 0.497 559 F N 0.480 120.524 119.950 0.158 0.000 2.065 559 F HA -0.233 4.295 4.527 0.002 0.000 0.298 559 F C 1.726 177.554 175.800 0.047 0.000 1.112 559 F CA 2.759 60.752 58.000 -0.013 0.000 1.212 559 F CB -0.235 38.787 39.000 0.038 0.000 0.975 559 F HN 0.667 nan 8.300 nan 0.000 0.476 560 D N 0.228 120.598 120.400 -0.050 0.000 2.182 560 D HA -0.160 4.481 4.640 0.003 0.000 0.201 560 D C 2.312 178.541 176.300 -0.119 0.000 0.986 560 D CA 1.466 55.377 54.000 -0.148 0.000 0.847 560 D CB -0.653 40.140 40.800 -0.012 0.000 0.942 560 D HN 0.410 nan 8.370 nan 0.000 0.467 561 A N 0.262 123.060 122.820 -0.037 0.000 1.929 561 A HA -0.088 4.234 4.320 0.003 0.000 0.216 561 A C 2.025 179.584 177.584 -0.042 0.000 1.176 561 A CA 0.717 52.743 52.037 -0.019 0.000 0.628 561 A CB -0.811 18.214 19.000 0.042 0.000 0.816 561 A HN 0.283 nan 8.150 nan 0.000 0.444 562 F N -0.843 118.984 119.950 -0.204 0.000 2.102 562 F HA -0.168 4.361 4.527 0.003 0.000 0.298 562 F C 2.148 177.759 175.800 -0.315 0.000 1.105 562 F CA 1.632 59.473 58.000 -0.265 0.000 1.239 562 F CB -0.466 38.275 39.000 -0.432 0.000 0.991 562 F HN 0.458 nan 8.300 nan 0.000 0.474 563 W N 1.405 122.114 121.300 -0.986 0.000 2.363 563 W HA -0.189 4.473 4.660 0.002 0.000 0.296 563 W C 2.382 178.535 176.519 -0.611 0.000 1.212 563 W CA 2.092 58.836 57.345 -1.002 0.000 1.260 563 W CB -0.561 28.340 29.460 -0.931 0.000 1.131 563 W HN 0.251 nan 8.180 nan 0.000 0.530 564 A N 0.271 122.932 122.820 -0.266 0.000 1.933 564 A HA -0.240 4.082 4.320 0.003 0.000 0.218 564 A C 1.760 179.178 177.584 -0.276 0.000 1.175 564 A CA 1.994 53.906 52.037 -0.208 0.000 0.628 564 A CB -0.852 18.079 19.000 -0.114 0.000 0.814 564 A HN 0.374 nan 8.150 nan 0.000 0.444 565 E N -2.116 117.903 120.200 -0.301 0.000 2.216 565 E HA 0.195 4.547 4.350 0.003 0.000 0.192 565 E C 1.415 177.783 176.600 -0.388 0.000 0.988 565 E CA 0.738 56.982 56.400 -0.261 0.000 0.834 565 E CB -0.073 29.532 29.700 -0.158 0.000 0.772 565 E HN 0.741 nan 8.360 nan 0.000 0.479 566 G N 0.722 109.125 108.800 -0.663 0.000 2.199 566 G HA2 -0.302 3.660 3.960 0.003 0.000 0.254 566 G HA3 -0.302 3.660 3.960 0.003 0.000 0.254 566 G C 0.193 174.674 174.900 -0.699 0.000 0.982 566 G CA 0.441 45.051 45.100 -0.817 0.000 0.632 566 G HN 0.340 nan 8.290 nan 0.000 0.529 567 I N -0.786 119.522 120.570 -0.436 0.000 2.882 567 I HA 0.583 4.754 4.170 0.003 0.000 0.298 567 I C -1.413 174.764 176.117 0.100 0.000 1.462 567 I CA -1.117 60.106 61.300 -0.127 0.000 1.000 567 I CB 2.116 39.976 38.000 -0.233 0.000 1.340 567 I HN 0.023 nan 8.210 nan 0.000 0.462 568 V N 4.921 124.916 119.914 0.135 0.000 2.638 568 V HA 0.498 4.620 4.120 0.003 0.000 0.306 568 V C -0.782 175.107 176.094 -0.343 0.000 1.052 568 V CA -0.538 61.754 62.300 -0.014 0.000 0.885 568 V CB 1.891 33.729 31.823 0.025 0.000 0.999 568 V HN 0.692 nan 8.190 nan 0.000 0.424 569 E N 3.367 123.400 120.200 -0.278 0.000 2.207 569 E HA 0.666 5.017 4.350 0.003 0.000 0.270 569 E C -1.580 174.838 176.600 -0.302 0.000 0.927 569 E CA -0.534 55.677 56.400 -0.315 0.000 0.799 569 E CB 2.158 31.838 29.700 -0.034 0.000 1.172 569 E HN 0.473 nan 8.360 nan 0.000 0.404 570 F N 1.855 121.857 119.950 0.086 0.000 2.470 570 F HA 0.401 4.929 4.527 0.002 0.000 0.329 570 F C -1.923 173.916 175.800 0.064 0.000 1.072 570 F CA -2.797 55.241 58.000 0.064 0.000 0.989 570 F CB 0.589 39.616 39.000 0.046 0.000 1.193 570 F HN 0.228 nan 8.300 nan 0.000 0.481 571 P HA 0.244 nan 4.420 nan 0.000 0.278 571 P C -0.880 176.505 177.300 0.141 0.000 1.238 571 P CA -0.212 62.985 63.100 0.161 0.000 0.794 571 P CB 1.616 33.390 31.700 0.125 0.000 0.955 572 V N 2.944 122.928 119.914 0.117 0.000 2.465 572 V HA 0.194 4.315 4.120 0.003 0.000 0.279 572 V C 1.578 177.721 176.094 0.082 0.000 1.045 572 V CA 0.308 62.670 62.300 0.102 0.000 0.938 572 V CB 0.862 32.749 31.823 0.105 0.000 0.986 572 V HN 0.842 nan 8.190 nan 0.000 0.467 573 T N 0.708 115.304 114.554 0.070 0.000 3.571 573 T HA 0.076 4.428 4.350 0.003 0.000 0.217 573 T C 0.919 175.657 174.700 0.064 0.000 0.925 573 T CA 0.685 62.821 62.100 0.060 0.000 1.376 573 T CB -0.137 68.759 68.868 0.045 0.000 1.375 573 T HN 0.621 nan 8.240 nan 0.000 0.404 574 D N 0.750 121.188 120.400 0.065 0.000 2.398 574 D HA 0.274 4.915 4.640 0.003 0.000 0.210 574 D C 2.005 178.367 176.300 0.103 0.000 1.094 574 D CA 0.291 54.339 54.000 0.079 0.000 0.839 574 D CB -0.742 40.103 40.800 0.075 0.000 0.963 574 D HN 0.566 nan 8.370 nan 0.000 0.506 575 G N 0.983 109.839 108.800 0.093 0.000 2.475 575 G HA2 -0.235 3.727 3.960 0.003 0.000 0.220 575 G HA3 -0.235 3.727 3.960 0.003 0.000 0.220 575 G C 1.550 176.542 174.900 0.154 0.000 1.125 575 G CA 0.909 46.073 45.100 0.107 0.000 0.755 575 G HN 0.474 nan 8.290 nan 0.000 0.565 576 A N 0.529 123.433 122.820 0.140 0.000 2.206 576 A HA 0.124 4.445 4.320 0.003 0.000 0.211 576 A C 1.515 179.186 177.584 0.145 0.000 1.158 576 A CA 1.468 53.595 52.037 0.150 0.000 0.761 576 A CB 0.028 19.106 19.000 0.130 0.000 0.801 576 A HN 0.311 nan 8.150 nan 0.000 0.473 577 D N -1.334 119.150 120.400 0.140 0.000 2.395 577 D HA 0.122 4.764 4.640 0.003 0.000 0.213 577 D C -0.013 176.359 176.300 0.120 0.000 1.110 577 D CA -0.354 53.711 54.000 0.109 0.000 0.835 577 D CB -0.202 40.649 40.800 0.084 0.000 0.965 577 D HN 0.394 nan 8.370 nan 0.000 0.505 578 F N 2.173 122.139 119.950 0.026 0.000 2.538 578 F HA 0.146 4.675 4.527 0.003 0.000 0.371 578 F C -0.242 175.553 175.800 -0.009 0.000 1.087 578 F CA -0.225 57.777 58.000 0.004 0.000 1.250 578 F CB 0.667 39.664 39.000 -0.006 0.000 1.110 578 F HN -0.333 nan 8.300 nan 0.000 0.570 579 V N 7.808 127.128 119.914 -0.991 0.000 2.409 579 V HA 0.325 4.447 4.120 0.003 0.000 0.290 579 V C 0.062 175.500 176.094 -1.092 0.000 1.017 579 V CA -0.995 60.837 62.300 -0.780 0.000 0.841 579 V CB 1.288 32.909 31.823 -0.338 0.000 1.003 579 V HN 0.746 nan 8.190 nan 0.000 0.426 580 R N 3.207 123.142 120.500 -0.941 0.000 2.570 580 R HA 0.159 4.501 4.340 0.003 0.000 0.277 580 R C 0.099 176.255 176.300 -0.241 0.000 1.039 580 R CA 0.475 56.223 56.100 -0.585 0.000 1.065 580 R CB 0.035 30.160 30.300 -0.293 0.000 0.964 580 R HN 0.708 nan 8.270 nan 0.000 0.428 581 Y N 0.241 120.472 120.300 -0.114 0.000 4.929 581 Y HA -0.362 4.190 4.550 0.003 0.000 0.253 581 Y C 1.338 177.268 175.900 0.050 0.000 0.946 581 Y CA 0.893 59.009 58.100 0.028 0.000 1.905 581 Y CB -2.094 36.404 38.460 0.065 0.000 1.400 581 Y HN 0.791 nan 8.280 nan 0.000 0.531 582 A N -0.569 122.269 122.820 0.030 0.000 1.883 582 A HA -0.209 4.113 4.320 0.003 0.000 0.217 582 A C 2.296 179.924 177.584 0.074 0.000 1.186 582 A CA 2.309 54.353 52.037 0.013 0.000 0.624 582 A CB -0.861 18.093 19.000 -0.076 0.000 0.822 582 A HN 0.468 nan 8.150 nan 0.000 0.444 583 S N -1.120 114.637 115.700 0.095 0.000 2.359 583 S HA -0.147 4.325 4.470 0.003 0.000 0.224 583 S C 1.679 176.398 174.600 0.199 0.000 1.035 583 S CA 1.520 59.795 58.200 0.126 0.000 1.018 583 S CB -0.555 62.720 63.200 0.126 0.000 0.876 583 S HN 0.634 nan 8.310 nan 0.000 0.448 584 F N 2.644 122.674 119.950 0.133 0.000 2.065 584 F HA -0.148 4.381 4.527 0.003 0.000 0.298 584 F C 2.410 178.344 175.800 0.224 0.000 1.112 584 F CA 1.812 59.932 58.000 0.199 0.000 1.212 584 F CB -0.490 38.692 39.000 0.302 0.000 0.975 584 F HN 0.007 nan 8.300 nan 0.000 0.476 585 R N 0.259 120.786 120.500 0.044 0.000 2.105 585 R HA -0.212 4.129 4.340 0.003 0.000 0.239 585 R C 2.424 178.746 176.300 0.038 0.000 1.135 585 R CA 1.852 57.863 56.100 -0.148 0.000 0.967 585 R CB -0.513 29.729 30.300 -0.096 0.000 0.861 585 R HN 0.526 nan 8.270 nan 0.000 0.442 586 E N -0.370 119.861 120.200 0.051 0.000 2.077 586 E HA -0.178 4.174 4.350 0.003 0.000 0.193 586 E C -0.367 176.259 176.600 0.043 0.000 0.989 586 E CA 1.172 57.603 56.400 0.051 0.000 0.800 586 E CB 0.245 29.973 29.700 0.046 0.000 0.746 586 E HN 0.121 nan 8.360 nan 0.000 0.452 587 D N -1.643 118.779 120.400 0.038 0.000 2.318 587 D HA 0.083 4.725 4.640 0.003 0.000 0.233 587 D C -2.258 174.043 176.300 0.002 0.000 1.348 587 D CA -1.581 52.422 54.000 0.005 0.000 0.983 587 D CB 1.559 42.369 40.800 0.017 0.000 1.416 587 D HN -0.125 nan 8.370 nan 0.000 0.558 588 P HA -0.032 nan 4.420 nan 0.000 0.221 588 P C 1.706 179.031 177.300 0.043 0.000 1.150 588 P CA 0.452 63.492 63.100 -0.100 0.000 0.800 588 P CB 0.693 32.154 31.700 -0.399 0.000 0.787 589 L N -1.297 119.919 121.223 -0.012 0.000 2.095 589 L HA -0.052 4.290 4.340 0.003 0.000 0.204 589 L C 2.592 179.487 176.870 0.042 0.000 1.080 589 L CA 0.875 55.723 54.840 0.012 0.000 0.759 589 L CB -0.970 41.079 42.059 -0.017 0.000 0.914 589 L HN -0.069 nan 8.230 nan 0.000 0.439 590 L N -0.152 121.095 121.223 0.041 0.000 2.179 590 L HA -0.002 4.339 4.340 0.003 0.000 0.208 590 L C 0.512 177.431 176.870 0.082 0.000 1.096 590 L CA 1.315 56.185 54.840 0.051 0.000 0.779 590 L CB -0.568 41.516 42.059 0.041 0.000 0.922 590 L HN 0.394 nan 8.230 nan 0.000 0.443 591 N N 0.570 119.345 118.700 0.126 0.000 2.886 591 N HA 0.237 4.979 4.740 0.003 0.000 0.285 591 N C -2.429 173.255 175.510 0.289 0.000 1.706 591 N CA -0.994 52.161 53.050 0.175 0.000 0.904 591 N CB 1.103 39.701 38.487 0.186 0.000 1.224 591 N HN 0.185 nan 8.380 nan 0.000 0.488 592 P HA 0.153 nan 4.420 nan 0.000 0.273 592 P C 0.354 177.751 177.300 0.162 0.000 1.250 592 P CA -0.311 62.951 63.100 0.270 0.000 0.793 592 P CB 1.519 33.312 31.700 0.156 0.000 1.011 593 L N -0.088 121.169 121.223 0.056 0.000 2.468 593 L HA 0.315 4.656 4.340 0.003 0.000 0.254 593 L C 2.059 178.921 176.870 -0.012 0.000 1.171 593 L CA -0.282 54.518 54.840 -0.067 0.000 0.809 593 L CB 0.053 41.976 42.059 -0.226 0.000 1.155 593 L HN 0.503 nan 8.230 nan 0.000 0.473 594 G N -0.349 108.435 108.800 -0.026 0.000 3.155 594 G HA2 0.007 3.968 3.960 0.003 0.000 0.213 594 G HA3 0.007 3.968 3.960 0.003 0.000 0.213 594 G C 0.610 175.490 174.900 -0.033 0.000 1.196 594 G CA 0.006 45.091 45.100 -0.026 0.000 0.846 594 G HN 0.667 nan 8.290 nan 0.000 0.516 595 T N -2.368 112.172 114.554 -0.024 0.000 2.816 595 T HA 0.369 4.721 4.350 0.003 0.000 0.282 595 T C -1.308 173.397 174.700 0.009 0.000 0.993 595 T CA -1.458 60.634 62.100 -0.013 0.000 0.994 595 T CB 1.772 70.641 68.868 0.002 0.000 1.025 595 T HN -0.171 nan 8.240 nan 0.000 0.529 596 P HA -0.105 nan 4.420 nan 0.000 0.216 596 P C 1.677 178.999 177.300 0.036 0.000 1.150 596 P CA 1.484 64.599 63.100 0.025 0.000 0.843 596 P CB -0.267 31.452 31.700 0.032 0.000 0.787 597 T N -5.952 108.632 114.554 0.051 0.000 3.081 597 T HA 0.300 4.652 4.350 0.003 0.000 0.255 597 T C 1.585 176.328 174.700 0.072 0.000 1.113 597 T CA 0.599 62.736 62.100 0.061 0.000 1.082 597 T CB -0.733 68.183 68.868 0.079 0.000 0.939 597 T HN 0.242 nan 8.240 nan 0.000 0.506 598 G N 0.897 109.739 108.800 0.070 0.000 2.159 598 G HA2 -0.191 3.771 3.960 0.003 0.000 0.256 598 G HA3 -0.191 3.771 3.960 0.003 0.000 0.256 598 G C -0.136 174.858 174.900 0.156 0.000 0.977 598 G CA 0.442 45.601 45.100 0.098 0.000 0.652 598 G HN 0.637 nan 8.290 nan 0.000 0.531 599 L N -0.697 120.608 121.223 0.136 0.000 2.230 599 L HA 0.680 5.021 4.340 0.003 0.000 0.255 599 L C 0.688 177.622 176.870 0.107 0.000 1.039 599 L CA -1.594 53.369 54.840 0.206 0.000 0.846 599 L CB 1.437 43.615 42.059 0.198 0.000 1.419 599 L HN -0.023 nan 8.230 nan 0.000 0.435 600 I N 1.103 121.768 120.570 0.159 0.000 2.436 600 I HA 0.043 4.215 4.170 0.003 0.000 0.289 600 I C -0.023 176.187 176.117 0.156 0.000 1.083 600 I CA 0.218 61.585 61.300 0.112 0.000 1.372 600 I CB 0.245 38.351 38.000 0.176 0.000 1.408 600 I HN 0.461 nan 8.210 nan 0.000 0.516 601 E N 7.035 127.317 120.200 0.136 0.000 2.001 601 E HA 0.195 4.547 4.350 0.003 0.000 0.279 601 E C 0.758 177.567 176.600 0.347 0.000 1.045 601 E CA -0.170 56.353 56.400 0.205 0.000 0.833 601 E CB 1.098 30.890 29.700 0.153 0.000 1.077 601 E HN 0.633 nan 8.360 nan 0.000 0.397 602 I N 2.040 122.808 120.570 0.329 0.000 2.439 602 I HA -0.161 4.011 4.170 0.003 0.000 0.251 602 I C 0.573 176.873 176.117 0.305 0.000 1.139 602 I CA 0.879 62.345 61.300 0.277 0.000 1.438 602 I CB 0.151 38.230 38.000 0.131 0.000 1.085 602 I HN 0.442 nan 8.210 nan 0.000 0.427 603 Y N 0.521 120.969 120.300 0.246 0.000 2.352 603 Y HA 0.396 4.947 4.550 0.003 0.000 0.339 603 Y C 0.024 176.088 175.900 0.274 0.000 0.992 603 Y CA -0.835 57.416 58.100 0.252 0.000 1.100 603 Y CB 1.566 40.128 38.460 0.170 0.000 1.192 603 Y HN -0.240 nan 8.280 nan 0.000 0.458 604 S N 6.086 121.789 115.700 0.005 0.000 2.520 604 S HA 0.285 4.757 4.470 0.003 0.000 0.324 604 S C 0.691 175.263 174.600 -0.047 0.000 1.069 604 S CA -0.675 57.545 58.200 0.033 0.000 1.121 604 S CB 0.674 63.840 63.200 -0.056 0.000 0.971 604 S HN 0.967 nan 8.310 nan 0.000 0.463 605 K N 3.750 124.232 120.400 0.136 0.000 2.063 605 K HA -0.119 4.203 4.320 0.003 0.000 0.208 605 K C 1.718 178.314 176.600 -0.006 0.000 1.048 605 K CA 1.892 58.258 56.287 0.133 0.000 0.928 605 K CB -0.143 32.441 32.500 0.140 0.000 0.713 605 K HN 0.708 nan 8.250 nan 0.000 0.442 606 N N 0.298 118.972 118.700 -0.043 0.000 2.149 606 N HA -0.157 4.584 4.740 0.003 0.000 0.188 606 N C 1.774 177.148 175.510 -0.225 0.000 1.019 606 N CA 1.076 54.063 53.050 -0.106 0.000 0.857 606 N CB -0.070 38.378 38.487 -0.065 0.000 0.997 606 N HN 0.123 nan 8.380 nan 0.000 0.426 607 I N 0.989 121.376 120.570 -0.303 0.000 2.353 607 I HA -0.208 3.964 4.170 0.003 0.000 0.248 607 I C 2.541 178.500 176.117 -0.263 0.000 1.119 607 I CA 0.853 61.942 61.300 -0.351 0.000 1.417 607 I CB -0.209 37.581 38.000 -0.350 0.000 1.078 607 I HN 0.243 nan 8.210 nan 0.000 0.421 608 E N 1.855 121.936 120.200 -0.199 0.000 2.049 608 E HA -0.293 4.058 4.350 0.003 0.000 0.198 608 E C 2.013 178.535 176.600 -0.130 0.000 1.007 608 E CA 1.636 57.957 56.400 -0.131 0.000 0.809 608 E CB 0.029 29.735 29.700 0.009 0.000 0.749 608 E HN 0.415 nan 8.360 nan 0.000 0.450 609 K N -0.244 120.082 120.400 -0.123 0.000 2.360 609 K HA -0.113 4.209 4.320 0.003 0.000 0.201 609 K C 2.111 178.581 176.600 -0.217 0.000 1.046 609 K CA 1.294 57.502 56.287 -0.130 0.000 0.945 609 K CB -0.106 32.335 32.500 -0.099 0.000 0.750 609 K HN 0.303 nan 8.250 nan 0.000 0.464 610 M N -0.447 118.944 119.600 -0.349 0.000 2.296 610 M HA -0.016 4.466 4.480 0.003 0.000 0.265 610 M C 1.077 177.016 176.300 -0.601 0.000 1.064 610 M CA 1.192 56.123 55.300 -0.616 0.000 1.109 610 M CB -0.086 31.888 32.600 -1.045 0.000 1.396 610 M HN 0.396 nan 8.290 nan 0.000 0.430 611 G N 0.649 109.236 108.800 -0.355 0.000 2.246 611 G HA2 -0.245 3.717 3.960 0.003 0.000 0.273 611 G HA3 -0.245 3.717 3.960 0.003 0.000 0.273 611 G C -0.748 174.141 174.900 -0.018 0.000 1.055 611 G CA -0.345 44.662 45.100 -0.156 0.000 0.851 611 G HN 0.385 nan 8.290 nan 0.000 0.500 612 Y N 0.715 120.989 120.300 -0.043 0.000 2.367 612 Y HA 0.354 4.906 4.550 0.003 0.000 0.342 612 Y C 1.305 177.186 175.900 -0.033 0.000 0.979 612 Y CA -1.774 56.310 58.100 -0.026 0.000 1.161 612 Y CB 1.046 39.495 38.460 -0.019 0.000 1.155 612 Y HN 0.125 nan 8.280 nan 0.000 0.503 613 D N 1.168 121.650 120.400 0.136 0.000 2.178 613 D HA -0.162 4.479 4.640 0.003 0.000 0.201 613 D C 1.115 177.434 176.300 0.032 0.000 0.980 613 D CA 1.524 55.554 54.000 0.051 0.000 0.842 613 D CB -0.027 40.796 40.800 0.040 0.000 0.948 613 D HN 0.673 nan 8.370 nan 0.000 0.472 614 D N -0.819 119.628 120.400 0.078 0.000 2.340 614 D HA -0.037 4.605 4.640 0.003 0.000 0.220 614 D C 0.034 176.391 176.300 0.095 0.000 1.039 614 D CA -0.237 53.816 54.000 0.089 0.000 0.866 614 D CB -0.543 40.346 40.800 0.148 0.000 0.913 614 D HN 0.014 nan 8.370 nan 0.000 0.523 615 C N 1.419 120.778 119.300 0.097 0.000 3.287 615 C HA 0.427 4.888 4.460 0.003 0.000 0.260 615 C C -2.619 172.394 174.990 0.038 0.000 1.133 615 C CA -1.673 57.407 59.018 0.103 0.000 1.402 615 C CB -0.636 27.212 27.740 0.181 0.000 1.832 615 C HN 0.040 nan 8.230 nan 0.000 0.509 616 P HA 0.151 nan 4.420 nan 0.000 0.272 616 P C 0.449 177.617 177.300 -0.221 0.000 1.248 616 P CA 0.351 63.306 63.100 -0.241 0.000 0.799 616 P CB 0.699 32.127 31.700 -0.453 0.000 0.997 617 A N 0.124 122.712 122.820 -0.387 0.000 2.238 617 A HA 0.070 4.391 4.320 0.003 0.000 0.208 617 A C 0.365 177.620 177.584 -0.548 0.000 1.177 617 A CA 1.008 52.771 52.037 -0.456 0.000 0.804 617 A CB -1.209 17.313 19.000 -0.796 0.000 0.823 617 A HN 0.806 nan 8.150 nan 0.000 0.482 618 H N -4.557 114.134 119.070 -0.632 0.000 3.016 618 H HA 0.622 5.180 4.556 0.003 0.000 0.362 618 H C -3.572 171.046 175.328 -1.184 0.000 1.233 618 H CA -2.939 52.545 56.048 -0.940 0.000 1.124 618 H CB -0.057 29.534 29.762 -0.285 0.000 1.850 618 H HN -0.193 nan 8.280 nan 0.000 0.549 619 P HA 0.123 nan 4.420 nan 0.000 0.262 619 P C -0.671 176.535 177.300 -0.157 0.000 1.182 619 P CA 0.456 63.130 63.100 -0.709 0.000 0.761 619 P CB 0.429 31.773 31.700 -0.593 0.000 0.795 620 T N 3.154 117.606 114.554 -0.170 0.000 2.933 620 T HA 0.241 4.592 4.350 0.003 0.000 0.305 620 T C -1.362 173.398 174.700 0.101 0.000 1.092 620 T CA -0.572 61.465 62.100 -0.105 0.000 1.008 620 T CB 1.140 69.777 68.868 -0.385 0.000 1.102 620 T HN 0.413 nan 8.240 nan 0.000 0.469 621 W N 5.591 127.003 121.300 0.187 0.000 2.345 621 W HA 0.593 5.255 4.660 0.003 0.000 0.308 621 W C -1.614 174.944 176.519 0.066 0.000 1.273 621 W CA -0.530 56.933 57.345 0.196 0.000 1.243 621 W CB 0.251 29.974 29.460 0.438 0.000 1.260 621 W HN 0.553 nan 8.180 nan 0.000 0.509 622 M N 5.146 124.104 119.600 -1.071 0.000 2.393 622 M HA 0.138 4.620 4.480 0.003 0.000 0.299 622 M C -0.096 175.501 176.300 -1.173 0.000 1.103 622 M CA -0.736 53.967 55.300 -0.995 0.000 0.910 622 M CB 2.445 34.425 32.600 -1.032 0.000 1.659 622 M HN 0.244 nan 8.290 nan 0.000 0.445 623 E N 4.566 124.376 120.200 -0.650 0.000 2.376 623 E HA 0.221 4.573 4.350 0.003 0.000 0.266 623 E C -2.198 174.338 176.600 -0.107 0.000 1.009 623 E CA -1.090 55.112 56.400 -0.330 0.000 0.902 623 E CB 0.424 30.116 29.700 -0.014 0.000 0.972 623 E HN 0.341 nan 8.360 nan 0.000 0.439 624 P HA 0.009 nan 4.420 nan 0.000 0.275 624 P C 1.049 178.518 177.300 0.282 0.000 1.266 624 P CA -0.462 62.754 63.100 0.194 0.000 0.793 624 P CB 0.829 32.628 31.700 0.165 0.000 1.074 625 L N -0.633 120.829 121.223 0.397 0.000 2.021 625 L HA -0.142 4.200 4.340 0.003 0.000 0.215 625 L C 0.891 177.819 176.870 0.096 0.000 1.074 625 L CA 2.004 56.913 54.840 0.115 0.000 0.760 625 L CB -0.574 41.414 42.059 -0.119 0.000 0.889 625 L HN 0.641 nan 8.230 nan 0.000 0.433 626 E N -1.144 119.123 120.200 0.111 0.000 2.363 626 E HA 0.487 4.839 4.350 0.003 0.000 0.281 626 E C -1.077 175.615 176.600 0.153 0.000 0.953 626 E CA -0.986 55.483 56.400 0.115 0.000 0.778 626 E CB 1.403 31.158 29.700 0.093 0.000 1.220 626 E HN 0.383 nan 8.360 nan 0.000 0.431 627 R N 1.309 121.909 120.500 0.167 0.000 2.680 627 R HA 0.471 4.813 4.340 0.003 0.000 0.269 627 R C -1.288 175.119 176.300 0.179 0.000 1.026 627 R CA -1.155 55.071 56.100 0.210 0.000 0.889 627 R CB 0.954 31.386 30.300 0.219 0.000 1.241 627 R HN 0.468 nan 8.270 nan 0.000 0.463 628 L N 3.174 124.514 121.223 0.195 0.000 2.628 628 L HA 0.062 4.403 4.340 0.003 0.000 0.274 628 L C -0.339 176.583 176.870 0.087 0.000 1.209 628 L CA 1.272 56.193 54.840 0.136 0.000 0.930 628 L CB -0.491 41.636 42.059 0.114 0.000 1.183 628 L HN 0.836 nan 8.230 nan 0.000 0.492 629 D N 2.376 122.816 120.400 0.067 0.000 2.911 629 D HA -0.179 4.463 4.640 0.003 0.000 0.227 629 D C 0.526 176.860 176.300 0.057 0.000 1.164 629 D CA 1.151 55.177 54.000 0.043 0.000 0.782 629 D CB -1.470 39.339 40.800 0.015 0.000 1.094 629 D HN 0.870 nan 8.370 nan 0.000 0.425 630 G N 0.094 108.946 108.800 0.086 0.000 2.562 630 G HA2 0.497 4.459 3.960 0.003 0.000 0.275 630 G HA3 0.497 4.459 3.960 0.003 0.000 0.275 630 G C -2.462 172.488 174.900 0.083 0.000 1.196 630 G CA -0.966 44.199 45.100 0.108 0.000 0.908 630 G HN -0.099 nan 8.290 nan 0.000 0.524 631 P HA 0.241 nan 4.420 nan 0.000 0.271 631 P C 0.781 178.117 177.300 0.060 0.000 1.233 631 P CA 1.122 64.263 63.100 0.069 0.000 0.764 631 P CB 0.989 32.738 31.700 0.081 0.000 0.825 632 G N 2.534 111.358 108.800 0.041 0.000 2.148 632 G HA2 -0.182 3.779 3.960 0.003 0.000 0.254 632 G HA3 -0.182 3.779 3.960 0.003 0.000 0.254 632 G C 0.417 175.336 174.900 0.031 0.000 0.981 632 G CA -0.088 45.031 45.100 0.031 0.000 0.670 632 G HN 0.846 nan 8.290 nan 0.000 0.528 633 A N -0.075 122.769 122.820 0.040 0.000 2.524 633 A HA 0.595 4.917 4.320 0.003 0.000 0.250 633 A C 1.293 178.879 177.584 0.004 0.000 1.078 633 A CA 1.399 53.465 52.037 0.048 0.000 0.761 633 A CB 0.420 19.460 19.000 0.067 0.000 1.012 633 A HN 0.554 nan 8.150 nan 0.000 0.500 634 K N 1.956 122.353 120.400 -0.005 0.000 2.098 634 K HA 0.018 4.339 4.320 0.003 0.000 0.203 634 K C -0.527 175.890 176.600 -0.305 0.000 1.051 634 K CA 0.858 57.044 56.287 -0.167 0.000 0.957 634 K CB -0.062 32.324 32.500 -0.189 0.000 0.738 634 K HN 0.739 nan 8.250 nan 0.000 0.447 635 Y N 0.273 120.570 120.300 -0.006 0.000 2.419 635 Y HA 0.204 4.755 4.550 0.003 0.000 0.328 635 Y C -1.579 174.314 175.900 -0.011 0.000 1.162 635 Y CA -2.256 55.829 58.100 -0.026 0.000 1.174 635 Y CB 1.363 39.787 38.460 -0.060 0.000 1.228 635 Y HN 0.060 nan 8.280 nan 0.000 0.473 636 P HA 0.060 nan 4.420 nan 0.000 0.234 636 P C -0.469 176.879 177.300 0.080 0.000 1.175 636 P CA 0.937 64.082 63.100 0.075 0.000 0.801 636 P CB 1.117 32.846 31.700 0.048 0.000 0.891 637 L N 0.098 121.370 121.223 0.081 0.000 2.329 637 L HA 0.440 4.781 4.340 0.003 0.000 0.279 637 L C 0.265 177.184 176.870 0.082 0.000 1.014 637 L CA -1.160 53.725 54.840 0.076 0.000 0.814 637 L CB 1.587 43.675 42.059 0.047 0.000 1.257 637 L HN -0.073 nan 8.230 nan 0.000 0.424 638 H N 3.342 122.437 119.070 0.042 0.000 2.580 638 H HA 0.421 4.979 4.556 0.003 0.000 0.322 638 H C -0.577 174.776 175.328 0.042 0.000 1.082 638 H CA -0.243 55.834 56.048 0.049 0.000 1.383 638 H CB 0.806 30.605 29.762 0.062 0.000 1.450 638 H HN 0.429 nan 8.280 nan 0.000 0.505 639 I N 4.994 125.375 120.570 -0.315 0.000 2.301 639 I HA 0.211 4.383 4.170 0.003 0.000 0.292 639 I C 0.196 176.305 176.117 -0.013 0.000 1.046 639 I CA -0.673 60.559 61.300 -0.113 0.000 1.282 639 I CB 1.069 38.998 38.000 -0.117 0.000 1.409 639 I HN 0.713 nan 8.210 nan 0.000 0.484 640 A N 6.081 129.020 122.820 0.198 0.000 2.666 640 A HA 0.495 4.817 4.320 0.003 0.000 0.301 640 A C 0.876 178.573 177.584 0.189 0.000 1.470 640 A CA -0.343 51.851 52.037 0.262 0.000 1.159 640 A CB -0.261 18.884 19.000 0.241 0.000 1.116 640 A HN 0.841 nan 8.150 nan 0.000 0.548 641 A N 3.352 126.282 122.820 0.183 0.000 3.091 641 A HA 0.499 4.821 4.320 0.003 0.000 0.264 641 A C 0.991 178.748 177.584 0.287 0.000 1.673 641 A CA 0.195 52.343 52.037 0.185 0.000 1.362 641 A CB -0.962 18.109 19.000 0.118 0.000 1.137 641 A HN 1.066 nan 8.150 nan 0.000 0.617 642 S N 0.087 116.012 115.700 0.375 0.000 2.738 642 S HA 0.437 4.908 4.470 0.003 0.000 0.284 642 S C 0.035 174.926 174.600 0.486 0.000 1.146 642 S CA -0.685 57.790 58.200 0.459 0.000 0.997 642 S CB 0.204 63.654 63.200 0.416 0.000 1.081 642 S HN 0.610 nan 8.310 nan 0.000 0.553 643 H N 2.245 121.404 119.070 0.147 0.000 2.848 643 H HA 0.217 4.775 4.556 0.003 0.000 0.341 643 H C -2.101 172.970 175.328 -0.429 0.000 1.060 643 H CA -1.211 54.809 56.048 -0.046 0.000 1.444 643 H CB 0.344 30.084 29.762 -0.037 0.000 1.446 643 H HN 0.472 nan 8.280 nan 0.000 0.583 644 P HA -0.086 nan 4.420 nan 0.000 0.271 644 P C 0.279 177.180 177.300 -0.666 0.000 1.218 644 P CA 0.098 62.605 63.100 -0.988 0.000 0.780 644 P CB 0.747 32.219 31.700 -0.380 0.000 0.901 645 F N 2.459 121.961 119.950 -0.747 0.000 2.163 645 F HA -0.008 4.520 4.527 0.003 0.000 0.297 645 F C 1.568 177.305 175.800 -0.106 0.000 1.094 645 F CA 1.474 59.323 58.000 -0.251 0.000 1.290 645 F CB 0.086 39.055 39.000 -0.052 0.000 1.017 645 F HN 0.254 nan 8.300 nan 0.000 0.483 646 N N 0.466 119.230 118.700 0.107 0.000 2.328 646 N HA 0.180 4.922 4.740 0.003 0.000 0.247 646 N C -0.583 175.006 175.510 0.131 0.000 1.165 646 N CA 0.139 53.286 53.050 0.162 0.000 0.873 646 N CB 0.506 39.137 38.487 0.240 0.000 1.125 646 N HN 0.227 nan 8.380 nan 0.000 0.513 647 R N -0.080 120.458 120.500 0.064 0.000 2.817 647 R HA 0.389 4.731 4.340 0.003 0.000 0.268 647 R C -1.251 175.121 176.300 0.121 0.000 1.027 647 R CA -0.929 55.260 56.100 0.148 0.000 0.928 647 R CB 1.552 31.910 30.300 0.098 0.000 1.228 647 R HN -0.093 nan 8.270 nan 0.000 0.469 648 L N 2.919 124.272 121.223 0.217 0.000 2.287 648 L HA 0.292 4.634 4.340 0.003 0.000 0.280 648 L C 0.245 177.029 176.870 -0.144 0.000 1.055 648 L CA 0.454 55.221 54.840 -0.122 0.000 0.863 648 L CB -0.665 41.324 42.059 -0.117 0.000 1.245 648 L HN 0.652 nan 8.230 nan 0.000 0.432 649 H N 1.732 120.739 119.070 -0.104 0.000 1.452 649 H HA -0.292 4.266 4.556 0.003 0.000 0.090 649 H C 1.421 176.819 175.328 0.117 0.000 0.620 649 H CA 1.891 57.901 56.048 -0.063 0.000 1.901 649 H CB -1.614 28.110 29.762 -0.063 0.000 2.257 649 H HN 0.675 nan 8.280 nan 0.000 0.961 650 S N 2.824 118.763 115.700 0.398 0.000 2.524 650 S HA 0.074 4.546 4.470 0.003 0.000 0.216 650 S C 0.605 175.541 174.600 0.559 0.000 0.987 650 S CA 0.194 58.704 58.200 0.517 0.000 0.909 650 S CB 0.289 63.845 63.200 0.593 0.000 0.781 650 S HN 0.411 nan 8.310 nan 0.000 0.521 651 Q N 1.101 121.176 119.800 0.458 0.000 2.361 651 Q HA 0.308 4.649 4.340 0.003 0.000 0.276 651 Q C 0.336 176.563 176.000 0.379 0.000 1.022 651 Q CA 0.623 56.717 55.803 0.484 0.000 0.898 651 Q CB 0.325 29.421 28.738 0.596 0.000 1.246 651 Q HN 0.517 nan 8.270 nan 0.000 0.410 652 L N 0.214 121.615 121.223 0.296 0.000 4.950 652 L HA -0.330 4.012 4.340 0.003 0.000 0.413 652 L C 1.184 178.027 176.870 -0.045 0.000 1.020 652 L CA 0.248 55.154 54.840 0.110 0.000 1.239 652 L CB -1.505 40.599 42.059 0.075 0.000 2.004 652 L HN 0.638 nan 8.230 nan 0.000 0.658 653 N N 1.727 120.307 118.700 -0.200 0.000 2.188 653 N HA -0.040 4.702 4.740 0.003 0.000 0.184 653 N C 1.440 176.453 175.510 -0.828 0.000 1.018 653 N CA 1.768 54.503 53.050 -0.526 0.000 0.858 653 N CB -0.023 37.926 38.487 -0.896 0.000 0.989 653 N HN 0.465 nan 8.380 nan 0.000 0.426 654 G N 0.051 108.292 108.800 -0.932 0.000 3.581 654 G HA2 0.255 4.217 3.960 0.003 0.000 0.255 654 G HA3 0.255 4.217 3.960 0.003 0.000 0.255 654 G C -0.217 174.552 174.900 -0.219 0.000 1.121 654 G CA 0.246 45.034 45.100 -0.520 0.000 1.739 654 G HN 0.434 nan 8.290 nan 0.000 0.646 655 T N -3.857 110.525 114.554 -0.285 0.000 2.804 655 T HA 0.367 4.719 4.350 0.003 0.000 0.290 655 T C 1.411 175.969 174.700 -0.236 0.000 1.099 655 T CA 0.119 62.112 62.100 -0.178 0.000 1.011 655 T CB 1.319 70.111 68.868 -0.127 0.000 1.291 655 T HN 0.431 nan 8.240 nan 0.000 0.523 656 V N 0.042 119.846 119.914 -0.183 0.000 2.688 656 V HA -0.025 4.097 4.120 0.003 0.000 0.256 656 V C 2.275 178.240 176.094 -0.215 0.000 1.084 656 V CA 1.339 63.525 62.300 -0.191 0.000 1.103 656 V CB -1.593 30.140 31.823 -0.149 0.000 0.688 656 V HN 0.775 nan 8.190 nan 0.000 0.480 657 L N -0.163 120.943 121.223 -0.196 0.000 2.191 657 L HA -0.119 4.222 4.340 0.003 0.000 0.212 657 L C 2.923 179.574 176.870 -0.366 0.000 1.103 657 L CA 2.002 56.745 54.840 -0.162 0.000 0.769 657 L CB -0.718 41.327 42.059 -0.023 0.000 0.908 657 L HN 0.327 nan 8.230 nan 0.000 0.438 658 R N 1.005 121.195 120.500 -0.517 0.000 2.103 658 R HA -0.274 4.068 4.340 0.003 0.000 0.242 658 R C 2.191 177.986 176.300 -0.843 0.000 1.142 658 R CA 2.115 57.667 56.100 -0.913 0.000 0.960 658 R CB -0.148 29.704 30.300 -0.746 0.000 0.858 658 R HN 0.364 nan 8.270 nan 0.000 0.439 659 E N -0.722 119.184 120.200 -0.490 0.000 2.267 659 E HA -0.119 4.233 4.350 0.003 0.000 0.197 659 E C 1.595 178.036 176.600 -0.265 0.000 0.998 659 E CA 1.508 57.716 56.400 -0.320 0.000 0.830 659 E CB -0.305 29.260 29.700 -0.225 0.000 0.751 659 E HN 0.518 nan 8.360 nan 0.000 0.491 660 G N -0.605 108.025 108.800 -0.283 0.000 2.511 660 G HA2 -0.190 3.772 3.960 0.003 0.000 0.217 660 G HA3 -0.190 3.772 3.960 0.003 0.000 0.217 660 G C 0.993 175.867 174.900 -0.044 0.000 1.133 660 G CA 0.907 45.930 45.100 -0.128 0.000 0.792 660 G HN 0.536 nan 8.290 nan 0.000 0.539 661 Y N -1.651 118.651 120.300 0.002 0.000 2.432 661 Y HA 0.720 5.271 4.550 0.003 0.000 0.252 661 Y C 1.163 177.087 175.900 0.040 0.000 1.097 661 Y CA -1.121 56.998 58.100 0.033 0.000 1.250 661 Y CB -0.475 38.033 38.460 0.080 0.000 1.245 661 Y HN 0.150 nan 8.280 nan 0.000 0.522 662 A N 1.560 124.338 122.820 -0.070 0.000 2.445 662 A HA 0.510 4.831 4.320 0.003 0.000 0.242 662 A C -0.415 177.207 177.584 0.064 0.000 1.075 662 A CA -0.133 51.939 52.037 0.059 0.000 0.777 662 A CB 0.225 19.201 19.000 -0.040 0.000 1.013 662 A HN 0.205 nan 8.150 nan 0.000 0.493 663 V N 3.630 123.607 119.914 0.105 0.000 2.350 663 V HA 0.275 4.396 4.120 0.003 0.000 0.285 663 V C 0.236 176.415 176.094 0.142 0.000 1.014 663 V CA -0.220 62.137 62.300 0.096 0.000 0.831 663 V CB 0.490 32.367 31.823 0.090 0.000 1.000 663 V HN 1.070 nan 8.190 nan 0.000 0.433 664 Q N 3.521 123.378 119.800 0.095 0.000 2.481 664 Q HA -0.290 4.052 4.340 0.003 0.000 0.272 664 Q C 1.279 177.279 176.000 -0.000 0.000 1.157 664 Q CA 0.906 56.772 55.803 0.105 0.000 0.935 664 Q CB -1.349 27.509 28.738 0.199 0.000 1.338 664 Q HN 1.560 nan 8.270 nan 0.000 0.494 665 G N -1.101 107.669 108.800 -0.049 0.000 2.217 665 G HA2 -0.280 3.681 3.960 0.003 0.000 0.246 665 G HA3 -0.280 3.681 3.960 0.003 0.000 0.246 665 G C 0.009 174.875 174.900 -0.058 0.000 0.990 665 G CA 0.443 45.471 45.100 -0.119 0.000 0.627 665 G HN 0.568 nan 8.290 nan 0.000 0.522 666 H N 0.399 119.527 119.070 0.096 0.000 2.544 666 H HA 0.556 5.113 4.556 0.003 0.000 0.342 666 H C 0.272 175.495 175.328 -0.176 0.000 1.185 666 H CA -0.492 55.514 56.048 -0.070 0.000 1.264 666 H CB 1.467 31.161 29.762 -0.113 0.000 1.607 666 H HN 0.236 nan 8.280 nan 0.000 0.550 667 E N 3.120 123.023 120.200 -0.495 0.000 2.452 667 E HA 0.036 4.388 4.350 0.003 0.000 0.261 667 E C -2.263 174.334 176.600 -0.005 0.000 0.987 667 E CA -1.221 55.072 56.400 -0.179 0.000 0.926 667 E CB 0.238 29.759 29.700 -0.298 0.000 0.934 667 E HN 0.276 nan 8.360 nan 0.000 0.452 668 P HA 0.039 nan 4.420 nan 0.000 0.274 668 P C -0.724 176.559 177.300 -0.029 0.000 1.231 668 P CA -0.446 62.679 63.100 0.041 0.000 0.790 668 P CB 0.889 32.636 31.700 0.078 0.000 0.951 669 C N 4.921 124.201 119.300 -0.034 0.000 2.383 669 C HA 0.470 4.931 4.460 0.003 0.000 0.330 669 C C -0.132 174.834 174.990 -0.040 0.000 1.168 669 C CA -0.794 58.194 59.018 -0.051 0.000 1.374 669 C CB -0.971 26.749 27.740 -0.034 0.000 2.014 669 C HN 0.443 nan 8.230 nan 0.000 0.439 670 L N 6.262 127.449 121.223 -0.060 0.000 2.380 670 L HA 0.472 4.813 4.340 0.003 0.000 0.273 670 L C 0.212 177.085 176.870 0.005 0.000 1.138 670 L CA 0.383 55.204 54.840 -0.032 0.000 0.832 670 L CB 1.028 43.062 42.059 -0.042 0.000 1.124 670 L HN 0.715 nan 8.230 nan 0.000 0.454 671 M N 3.199 122.811 119.600 0.021 0.000 2.324 671 M HA 0.299 4.781 4.480 0.003 0.000 0.288 671 M C -0.639 175.704 176.300 0.072 0.000 1.097 671 M CA -0.635 54.698 55.300 0.055 0.000 0.928 671 M CB 1.978 34.605 32.600 0.044 0.000 1.648 671 M HN 0.569 nan 8.290 nan 0.000 0.460 672 H N 5.370 124.453 119.070 0.020 0.000 2.871 672 H HA 0.141 4.699 4.556 0.003 0.000 0.355 672 H C -2.043 173.296 175.328 0.019 0.000 1.092 672 H CA -0.016 56.044 56.048 0.021 0.000 1.420 672 H CB 1.213 30.989 29.762 0.023 0.000 1.400 672 H HN 0.484 nan 8.280 nan 0.000 0.604 673 P HA -0.154 nan 4.420 nan 0.000 0.216 673 P C 0.812 178.187 177.300 0.125 0.000 1.150 673 P CA 1.400 64.465 63.100 -0.059 0.000 0.843 673 P CB 0.356 31.962 31.700 -0.156 0.000 0.787 674 D N -0.986 119.642 120.400 0.380 0.000 2.183 674 D HA -0.116 4.525 4.640 0.003 0.000 0.203 674 D C 1.501 177.887 176.300 0.143 0.000 0.969 674 D CA 1.003 55.139 54.000 0.226 0.000 0.842 674 D CB -0.729 40.177 40.800 0.176 0.000 0.957 674 D HN 0.162 nan 8.370 nan 0.000 0.484 675 D N 0.153 120.654 120.400 0.169 0.000 2.183 675 D HA -0.003 4.639 4.640 0.003 0.000 0.203 675 D C 1.946 178.295 176.300 0.080 0.000 0.969 675 D CA 0.798 54.856 54.000 0.097 0.000 0.842 675 D CB -0.046 40.813 40.800 0.098 0.000 0.957 675 D HN 0.134 nan 8.370 nan 0.000 0.484 676 A N 1.018 123.887 122.820 0.083 0.000 1.898 676 A HA 0.098 4.420 4.320 0.003 0.000 0.214 676 A C 2.296 179.908 177.584 0.047 0.000 1.183 676 A CA 1.636 53.706 52.037 0.055 0.000 0.622 676 A CB -0.573 18.451 19.000 0.040 0.000 0.824 676 A HN 0.197 nan 8.150 nan 0.000 0.444 677 A N 0.070 122.920 122.820 0.050 0.000 1.933 677 A HA 0.144 4.465 4.320 0.003 0.000 0.218 677 A C 2.429 180.036 177.584 0.038 0.000 1.175 677 A CA 1.986 54.047 52.037 0.040 0.000 0.628 677 A CB -0.937 18.088 19.000 0.041 0.000 0.814 677 A HN 1.071 nan 8.150 nan 0.000 0.444 678 A N -0.494 122.352 122.820 0.043 0.000 2.070 678 A HA -0.113 4.208 4.320 0.003 0.000 0.220 678 A C 2.097 179.703 177.584 0.037 0.000 1.159 678 A CA 1.451 53.509 52.037 0.036 0.000 0.656 678 A CB -0.305 18.717 19.000 0.036 0.000 0.800 678 A HN 0.555 nan 8.150 nan 0.000 0.453 679 R N -1.701 118.824 120.500 0.041 0.000 2.362 679 R HA 0.276 4.618 4.340 0.003 0.000 0.227 679 R C 1.064 177.387 176.300 0.038 0.000 0.905 679 R CA 0.444 56.570 56.100 0.043 0.000 1.067 679 R CB 0.178 30.509 30.300 0.051 0.000 1.078 679 R HN 0.572 nan 8.270 nan 0.000 0.516 680 G N 1.892 110.712 108.800 0.032 0.000 2.198 680 G HA2 -0.287 3.675 3.960 0.003 0.000 0.260 680 G HA3 -0.287 3.675 3.960 0.003 0.000 0.260 680 G C 0.063 174.980 174.900 0.028 0.000 1.025 680 G CA 0.055 45.171 45.100 0.027 0.000 0.769 680 G HN 0.259 nan 8.290 nan 0.000 0.507 681 I N 0.935 121.524 120.570 0.032 0.000 2.365 681 I HA 0.589 4.761 4.170 0.003 0.000 0.291 681 I C 0.777 176.909 176.117 0.026 0.000 1.004 681 I CA -0.161 61.158 61.300 0.032 0.000 1.311 681 I CB 1.581 39.603 38.000 0.037 0.000 1.401 681 I HN 0.306 nan 8.210 nan 0.000 0.491 682 A N 4.264 127.099 122.820 0.024 0.000 2.311 682 A HA 0.370 4.692 4.320 0.003 0.000 0.334 682 A C -0.615 176.980 177.584 0.018 0.000 1.139 682 A CA -0.647 51.401 52.037 0.019 0.000 0.830 682 A CB 0.789 19.799 19.000 0.017 0.000 1.234 682 A HN 0.736 nan 8.150 nan 0.000 0.483 683 D N 0.134 120.541 120.400 0.012 0.000 2.531 683 D HA 0.344 4.986 4.640 0.003 0.000 0.239 683 D C 1.343 177.654 176.300 0.018 0.000 1.144 683 D CA 2.389 56.395 54.000 0.012 0.000 0.869 683 D CB 0.156 40.958 40.800 0.004 0.000 1.160 683 D HN 1.315 nan 8.370 nan 0.000 0.484 684 G N 2.978 111.792 108.800 0.024 0.000 2.194 684 G HA2 -0.233 3.728 3.960 0.003 0.000 0.236 684 G HA3 -0.233 3.728 3.960 0.003 0.000 0.236 684 G C -0.031 174.895 174.900 0.043 0.000 0.987 684 G CA 0.010 45.130 45.100 0.033 0.000 0.635 684 G HN 0.617 nan 8.290 nan 0.000 0.520 685 D N 0.564 120.987 120.400 0.038 0.000 2.345 685 D HA 0.463 5.104 4.640 0.003 0.000 0.247 685 D C 0.879 177.200 176.300 0.036 0.000 1.108 685 D CA -0.136 53.891 54.000 0.044 0.000 0.894 685 D CB 1.714 42.539 40.800 0.041 0.000 1.203 685 D HN 0.163 nan 8.370 nan 0.000 0.430 686 V N 2.285 122.224 119.914 0.042 0.000 2.614 686 V HA 0.284 4.406 4.120 0.003 0.000 0.291 686 V C 0.600 176.698 176.094 0.006 0.000 1.049 686 V CA -0.306 61.971 62.300 -0.038 0.000 1.038 686 V CB 1.062 32.851 31.823 -0.056 0.000 0.980 686 V HN 0.390 nan 8.190 nan 0.000 0.481 687 V N 2.969 122.848 119.914 -0.058 0.000 3.040 687 V HA 0.727 4.848 4.120 0.003 0.000 0.312 687 V C -0.503 175.584 176.094 -0.013 0.000 1.115 687 V CA -1.241 61.072 62.300 0.022 0.000 0.998 687 V CB 2.043 33.881 31.823 0.025 0.000 1.042 687 V HN 0.843 nan 8.190 nan 0.000 0.433 688 R N 1.649 122.206 120.500 0.094 0.000 2.338 688 R HA 0.769 5.111 4.340 0.003 0.000 0.317 688 R C -1.656 174.745 176.300 0.169 0.000 0.968 688 R CA -0.474 55.682 56.100 0.093 0.000 0.849 688 R CB 1.825 32.224 30.300 0.166 0.000 1.128 688 R HN 0.775 nan 8.270 nan 0.000 0.448 689 V N 5.562 125.538 119.914 0.103 0.000 2.370 689 V HA 0.403 4.524 4.120 0.003 0.000 0.283 689 V C -0.711 175.428 176.094 0.075 0.000 1.023 689 V CA -0.627 61.702 62.300 0.050 0.000 0.857 689 V CB 0.997 32.808 31.823 -0.019 0.000 0.985 689 V HN 1.017 nan 8.190 nan 0.000 0.443 690 H N 2.724 121.745 119.070 -0.082 0.000 3.017 690 H HA 0.872 5.429 4.556 0.003 0.000 0.346 690 H C -0.716 174.416 175.328 -0.328 0.000 1.286 690 H CA -0.880 55.091 56.048 -0.128 0.000 1.120 690 H CB 1.761 31.498 29.762 -0.042 0.000 1.860 690 H HN 0.576 nan 8.280 nan 0.000 0.542 691 N N -0.687 117.769 118.700 -0.407 0.000 3.588 691 N HA 0.154 4.896 4.740 0.003 0.000 0.340 691 N C -0.571 174.773 175.510 -0.277 0.000 1.609 691 N CA -0.627 51.851 53.050 -0.953 0.000 0.811 691 N CB -0.023 37.842 38.487 -1.037 0.000 2.184 691 N HN 0.534 nan 8.380 nan 0.000 0.577 692 D N -0.836 119.482 120.400 -0.136 0.000 2.347 692 D HA 0.103 4.745 4.640 0.003 0.000 0.215 692 D C 1.005 177.309 176.300 0.006 0.000 0.976 692 D CA 0.618 54.659 54.000 0.067 0.000 0.884 692 D CB 0.179 41.069 40.800 0.149 0.000 0.915 692 D HN 0.400 nan 8.370 nan 0.000 0.526 693 R N -0.394 120.073 120.500 -0.054 0.000 2.206 693 R HA 0.350 4.692 4.340 0.003 0.000 0.198 693 R C 1.210 177.488 176.300 -0.037 0.000 0.986 693 R CA 0.434 56.506 56.100 -0.046 0.000 1.029 693 R CB 0.878 31.134 30.300 -0.073 0.000 0.966 693 R HN 0.017 nan 8.270 nan 0.000 0.487 694 G N 0.255 109.030 108.800 -0.041 0.000 2.548 694 G HA2 0.321 4.283 3.960 0.003 0.000 0.301 694 G HA3 0.321 4.283 3.960 0.003 0.000 0.301 694 G C -1.979 172.933 174.900 0.021 0.000 1.349 694 G CA -0.782 44.314 45.100 -0.006 0.000 0.792 694 G HN 0.098 nan 8.290 nan 0.000 0.481 695 Q N -1.066 118.764 119.800 0.050 0.000 2.284 695 Q HA 0.703 5.044 4.340 0.003 0.000 0.269 695 Q C -1.005 175.032 176.000 0.062 0.000 1.026 695 Q CA -1.016 54.831 55.803 0.075 0.000 0.831 695 Q CB 2.495 31.276 28.738 0.072 0.000 1.322 695 Q HN 1.123 nan 8.270 nan 0.000 0.419 696 I N -0.722 119.874 120.570 0.043 0.000 2.969 696 I HA 0.645 4.816 4.170 0.003 0.000 0.307 696 I C -1.547 174.541 176.117 -0.050 0.000 1.149 696 I CA -1.637 59.677 61.300 0.023 0.000 1.008 696 I CB 2.027 40.050 38.000 0.038 0.000 1.232 696 I HN 0.652 nan 8.210 nan 0.000 0.435 697 L N 2.987 124.142 121.223 -0.113 0.000 2.334 697 L HA 0.710 5.052 4.340 0.003 0.000 0.275 697 L C 0.060 176.784 176.870 -0.243 0.000 1.036 697 L CA -0.341 54.336 54.840 -0.271 0.000 0.807 697 L CB 1.960 43.722 42.059 -0.496 0.000 1.231 697 L HN 0.893 nan 8.230 nan 0.000 0.438 698 T N -1.317 113.076 114.554 -0.269 0.000 2.812 698 T HA 0.684 5.035 4.350 0.003 0.000 0.294 698 T C -0.372 174.226 174.700 -0.171 0.000 1.159 698 T CA -0.762 61.233 62.100 -0.176 0.000 1.008 698 T CB 1.810 70.621 68.868 -0.094 0.000 1.289 698 T HN 0.659 nan 8.240 nan 0.000 0.514 699 G N 0.145 108.920 108.800 -0.042 0.000 2.416 699 G HA2 0.587 4.549 3.960 0.003 0.000 0.324 699 G HA3 0.587 4.549 3.960 0.003 0.000 0.324 699 G C -0.834 174.073 174.900 0.010 0.000 1.194 699 G CA -0.669 44.438 45.100 0.011 0.000 0.922 699 G HN 0.780 nan 8.290 nan 0.000 0.467 700 V N 1.968 121.889 119.914 0.011 0.000 2.644 700 V HA 0.402 4.524 4.120 0.003 0.000 0.295 700 V C 0.137 176.240 176.094 0.015 0.000 1.053 700 V CA -0.437 61.869 62.300 0.009 0.000 0.987 700 V CB 1.613 33.444 31.823 0.012 0.000 1.006 700 V HN 0.658 nan 8.190 nan 0.000 0.472 701 K N 3.187 123.591 120.400 0.007 0.000 2.483 701 K HA 0.524 4.846 4.320 0.003 0.000 0.256 701 K C -1.259 175.338 176.600 -0.004 0.000 0.961 701 K CA -0.567 55.722 56.287 0.004 0.000 0.873 701 K CB 2.055 34.557 32.500 0.003 0.000 1.107 701 K HN 0.427 nan 8.250 nan 0.000 0.432 702 V N 2.776 122.686 119.914 -0.007 0.000 2.455 702 V HA 0.277 4.398 4.120 0.003 0.000 0.273 702 V C 0.231 176.302 176.094 -0.039 0.000 1.045 702 V CA 0.053 62.342 62.300 -0.019 0.000 0.976 702 V CB 1.112 32.924 31.823 -0.018 0.000 0.993 702 V HN 0.847 nan 8.190 nan 0.000 0.475 703 T N 2.137 116.658 114.554 -0.056 0.000 3.047 703 T HA 0.242 4.594 4.350 0.003 0.000 0.340 703 T C 0.005 174.640 174.700 -0.109 0.000 1.421 703 T CA -0.446 61.612 62.100 -0.068 0.000 1.090 703 T CB 1.599 70.450 68.868 -0.028 0.000 1.292 703 T HN 0.801 nan 8.240 nan 0.000 0.480 704 D N 2.649 122.957 120.400 -0.153 0.000 2.324 704 D HA 0.197 4.839 4.640 0.003 0.000 0.235 704 D C 1.714 178.041 176.300 0.044 0.000 1.095 704 D CA 0.484 54.389 54.000 -0.159 0.000 0.871 704 D CB -0.217 40.461 40.800 -0.203 0.000 0.906 704 D HN 0.575 nan 8.370 nan 0.000 0.522 705 A N 0.397 123.244 122.820 0.044 0.000 2.019 705 A HA 0.048 4.370 4.320 0.003 0.000 0.219 705 A C 1.288 178.951 177.584 0.132 0.000 1.164 705 A CA 1.094 53.185 52.037 0.090 0.000 0.644 705 A CB -0.599 18.436 19.000 0.058 0.000 0.805 705 A HN 0.327 nan 8.150 nan 0.000 0.449 706 V N -1.224 118.766 119.914 0.127 0.000 2.481 706 V HA 0.551 4.673 4.120 0.003 0.000 0.286 706 V C 0.207 176.422 176.094 0.202 0.000 1.042 706 V CA -0.976 61.411 62.300 0.146 0.000 0.928 706 V CB 0.698 32.592 31.823 0.118 0.000 0.986 706 V HN 0.536 nan 8.190 nan 0.000 0.462 707 M N 1.404 121.087 119.600 0.138 0.000 2.232 707 M HA 0.398 4.879 4.480 0.003 0.000 0.321 707 M C 0.168 176.469 176.300 0.002 0.000 1.101 707 M CA -0.227 55.119 55.300 0.076 0.000 1.181 707 M CB 0.102 32.703 32.600 0.002 0.000 1.432 707 M HN 0.717 nan 8.290 nan 0.000 0.457 708 K N 0.780 121.045 120.400 -0.225 0.000 2.448 708 K HA 0.236 4.558 4.320 0.003 0.000 0.278 708 K C 0.917 177.442 176.600 -0.125 0.000 1.009 708 K CA 1.365 57.431 56.287 -0.368 0.000 0.995 708 K CB 0.074 32.242 32.500 -0.553 0.000 0.917 708 K HN 0.963 nan 8.250 nan 0.000 0.481 709 G N 1.638 110.405 108.800 -0.055 0.000 2.175 709 G HA2 -0.211 3.750 3.960 0.003 0.000 0.244 709 G HA3 -0.211 3.750 3.960 0.003 0.000 0.244 709 G C -0.435 174.501 174.900 0.059 0.000 0.982 709 G CA 0.029 45.132 45.100 0.004 0.000 0.641 709 G HN 0.517 nan 8.290 nan 0.000 0.527 710 V N 2.327 122.282 119.914 0.070 0.000 2.656 710 V HA 0.751 4.872 4.120 0.003 0.000 0.307 710 V C 0.471 176.627 176.094 0.103 0.000 1.051 710 V CA -0.505 61.865 62.300 0.117 0.000 0.893 710 V CB 1.850 33.742 31.823 0.116 0.000 0.999 710 V HN 0.681 nan 8.190 nan 0.000 0.426 711 I N 1.399 122.025 120.570 0.093 0.000 2.797 711 I HA 0.722 4.893 4.170 0.003 0.000 0.307 711 I C -0.668 175.476 176.117 0.045 0.000 1.033 711 I CA -0.740 60.593 61.300 0.054 0.000 1.071 711 I CB 2.072 40.089 38.000 0.028 0.000 1.255 711 I HN 0.668 nan 8.210 nan 0.000 0.445 712 Q N 4.768 124.565 119.800 -0.006 0.000 2.339 712 Q HA 0.603 4.945 4.340 0.003 0.000 0.268 712 Q C -1.818 174.096 176.000 -0.142 0.000 1.027 712 Q CA -0.587 55.180 55.803 -0.060 0.000 0.759 712 Q CB 1.779 30.442 28.738 -0.125 0.000 1.244 712 Q HN 0.786 nan 8.270 nan 0.000 0.464 713 I N 4.464 124.985 120.570 -0.082 0.000 2.448 713 I HA 0.249 4.420 4.170 0.003 0.000 0.281 713 I C -0.924 175.223 176.117 0.050 0.000 1.027 713 I CA -0.863 60.401 61.300 -0.060 0.000 1.111 713 I CB 0.791 38.783 38.000 -0.014 0.000 1.236 713 I HN 0.547 nan 8.210 nan 0.000 0.452 714 Y N 3.939 124.280 120.300 0.070 0.000 2.578 714 Y HA 0.045 4.596 4.550 0.003 0.000 0.339 714 Y C 1.043 176.998 175.900 0.092 0.000 1.231 714 Y CA -0.659 57.492 58.100 0.085 0.000 1.461 714 Y CB 0.326 38.818 38.460 0.053 0.000 1.323 714 Y HN 0.568 nan 8.280 nan 0.000 0.590 715 E N -0.030 120.336 120.200 0.276 0.000 2.392 715 E HA 0.472 4.824 4.350 0.003 0.000 0.256 715 E C 1.002 177.718 176.600 0.193 0.000 1.145 715 E CA 0.117 56.630 56.400 0.188 0.000 0.929 715 E CB 0.413 30.191 29.700 0.129 0.000 0.998 715 E HN 0.742 nan 8.360 nan 0.000 0.442 716 G N 0.340 109.275 108.800 0.224 0.000 2.211 716 G HA2 -0.151 3.810 3.960 0.003 0.000 0.201 716 G HA3 -0.151 3.810 3.960 0.003 0.000 0.201 716 G C 0.472 175.627 174.900 0.426 0.000 0.997 716 G CA -0.351 44.924 45.100 0.292 0.000 0.652 716 G HN 0.932 nan 8.290 nan 0.000 0.500 717 G N -0.269 108.796 108.800 0.442 0.000 2.406 717 G HA2 0.364 4.325 3.960 0.003 0.000 0.251 717 G HA3 0.364 4.325 3.960 0.003 0.000 0.251 717 G C 0.085 175.424 174.900 0.731 0.000 1.271 717 G CA -0.319 45.187 45.100 0.676 0.000 0.859 717 G HN 0.256 nan 8.290 nan 0.000 0.540 718 W N 2.588 124.116 121.300 0.380 0.000 2.666 718 W HA 0.194 4.856 4.660 0.003 0.000 0.365 718 W C 0.384 177.033 176.519 0.218 0.000 1.224 718 W CA -1.400 56.047 57.345 0.171 0.000 1.515 718 W CB -0.920 28.487 29.460 -0.088 0.000 1.562 718 W HN 0.470 nan 8.180 nan 0.000 0.455 719 Y N 3.717 124.191 120.300 0.290 0.000 2.996 719 Y HA -0.157 4.395 4.550 0.003 0.000 0.347 719 Y C 0.413 176.394 175.900 0.135 0.000 1.276 719 Y CA 0.893 59.108 58.100 0.192 0.000 1.601 719 Y CB 0.173 38.702 38.460 0.115 0.000 1.193 719 Y HN 0.351 nan 8.280 nan 0.000 0.582 720 D N 8.806 129.097 120.400 -0.182 0.000 2.552 720 D HA 0.277 4.918 4.640 0.003 0.000 0.285 720 D C -3.002 173.101 176.300 -0.329 0.000 1.206 720 D CA -1.993 51.855 54.000 -0.254 0.000 0.826 720 D CB 0.561 41.319 40.800 -0.070 0.000 1.179 720 D HN 0.258 nan 8.370 nan 0.000 0.508 721 P HA 0.042 nan 4.420 nan 0.000 0.268 721 P C 0.715 177.908 177.300 -0.178 0.000 1.205 721 P CA -0.100 62.767 63.100 -0.388 0.000 0.771 721 P CB 1.511 32.957 31.700 -0.424 0.000 0.858 722 S N 0.711 116.362 115.700 -0.081 0.000 2.383 722 S HA -0.099 4.372 4.470 0.003 0.000 0.227 722 S C 0.705 175.276 174.600 -0.048 0.000 1.026 722 S CA 1.391 59.564 58.200 -0.046 0.000 0.981 722 S CB -0.328 62.867 63.200 -0.007 0.000 0.818 722 S HN 0.663 nan 8.310 nan 0.000 0.472 723 D N -0.104 120.272 120.400 -0.039 0.000 2.591 723 D HA 0.140 4.781 4.640 0.003 0.000 0.222 723 D C 0.506 176.797 176.300 -0.016 0.000 1.360 723 D CA -0.336 53.644 54.000 -0.034 0.000 0.967 723 D CB 1.379 42.170 40.800 -0.014 0.000 1.456 723 D HN 0.001 nan 8.370 nan 0.000 0.588 724 V N 2.079 121.976 119.914 -0.029 0.000 3.078 724 V HA -0.017 4.105 4.120 0.003 0.000 0.265 724 V C 1.567 177.684 176.094 0.038 0.000 1.122 724 V CA 2.077 64.389 62.300 0.021 0.000 1.141 724 V CB -1.077 30.740 31.823 -0.010 0.000 0.735 724 V HN 0.659 nan 8.190 nan 0.000 0.498 725 T N -1.610 112.952 114.554 0.013 0.000 3.107 725 T HA 0.113 4.465 4.350 0.003 0.000 0.249 725 T C 0.705 175.421 174.700 0.027 0.000 1.096 725 T CA 0.514 62.626 62.100 0.019 0.000 1.012 725 T CB -0.283 68.587 68.868 0.003 0.000 0.977 725 T HN 0.789 nan 8.240 nan 0.000 0.527 726 E N 2.435 122.653 120.200 0.031 0.000 2.055 726 E HA 0.344 4.696 4.350 0.003 0.000 0.274 726 E C -2.855 173.775 176.600 0.049 0.000 0.949 726 E CA -2.801 53.619 56.400 0.034 0.000 0.775 726 E CB 1.019 30.735 29.700 0.026 0.000 1.097 726 E HN 0.119 nan 8.360 nan 0.000 0.404 727 P HA 0.037 nan 4.420 nan 0.000 0.262 727 P C 0.424 177.755 177.300 0.052 0.000 1.182 727 P CA 1.118 64.249 63.100 0.051 0.000 0.761 727 P CB 0.658 32.382 31.700 0.040 0.000 0.795 728 G N 1.627 110.465 108.800 0.062 0.000 2.148 728 G HA2 -0.270 3.691 3.960 0.003 0.000 0.254 728 G HA3 -0.270 3.691 3.960 0.003 0.000 0.254 728 G C 0.543 175.486 174.900 0.072 0.000 0.981 728 G CA 0.236 45.373 45.100 0.060 0.000 0.670 728 G HN 0.763 nan 8.290 nan 0.000 0.528 729 T N -0.005 114.599 114.554 0.083 0.000 2.946 729 T HA 0.260 4.612 4.350 0.003 0.000 0.312 729 T C 0.840 175.591 174.700 0.086 0.000 1.066 729 T CA 0.343 62.486 62.100 0.072 0.000 1.138 729 T CB 0.248 69.154 68.868 0.063 0.000 1.014 729 T HN 1.117 nan 8.240 nan 0.000 0.544 730 L N 4.662 125.921 121.223 0.060 0.000 2.455 730 L HA 0.297 4.639 4.340 0.003 0.000 0.272 730 L C 0.142 177.046 176.870 0.056 0.000 1.174 730 L CA -0.072 54.801 54.840 0.056 0.000 0.869 730 L CB 0.632 42.708 42.059 0.027 0.000 1.130 730 L HN 0.613 nan 8.230 nan 0.000 0.474 731 D N 3.628 124.089 120.400 0.102 0.000 2.317 731 D HA 0.109 4.751 4.640 0.003 0.000 0.252 731 D C 0.507 176.851 176.300 0.074 0.000 1.174 731 D CA 0.076 54.146 54.000 0.116 0.000 0.866 731 D CB 0.998 41.967 40.800 0.281 0.000 1.127 731 D HN 0.606 nan 8.370 nan 0.000 0.467 732 K N 2.967 123.408 120.400 0.068 0.000 2.365 732 K HA -0.096 4.225 4.320 0.003 0.000 0.197 732 K C 0.821 177.588 176.600 0.279 0.000 1.042 732 K CA 0.463 56.818 56.287 0.114 0.000 0.987 732 K CB 0.287 32.840 32.500 0.089 0.000 0.779 732 K HN 0.498 nan 8.250 nan 0.000 0.484 733 Y N 0.262 120.663 120.300 0.167 0.000 2.351 733 Y HA 0.208 4.760 4.550 0.003 0.000 0.291 733 Y C 0.727 176.787 175.900 0.268 0.000 1.153 733 Y CA 1.028 59.278 58.100 0.249 0.000 1.193 733 Y CB 1.102 39.682 38.460 0.201 0.000 1.187 733 Y HN -0.002 nan 8.280 nan 0.000 0.524 734 G N 1.819 110.648 108.800 0.049 0.000 2.508 734 G HA2 -0.076 3.885 3.960 0.003 0.000 0.232 734 G HA3 -0.076 3.885 3.960 0.003 0.000 0.232 734 G C -1.686 173.299 174.900 0.141 0.000 1.450 734 G CA -0.267 44.816 45.100 -0.029 0.000 0.923 734 G HN 0.311 nan 8.290 nan 0.000 0.559 735 D N 0.992 121.550 120.400 0.264 0.000 2.352 735 D HA 0.280 4.921 4.640 0.003 0.000 0.245 735 D C 1.463 177.834 176.300 0.118 0.000 1.224 735 D CA -0.034 54.114 54.000 0.247 0.000 0.879 735 D CB 1.560 42.521 40.800 0.268 0.000 1.057 735 D HN 0.171 nan 8.370 nan 0.000 0.491 736 V N 4.802 124.775 119.914 0.098 0.000 2.688 736 V HA -0.189 3.933 4.120 0.003 0.000 0.256 736 V C 1.327 177.421 176.094 -0.001 0.000 1.084 736 V CA 1.392 63.719 62.300 0.045 0.000 1.103 736 V CB -0.430 31.432 31.823 0.066 0.000 0.688 736 V HN 0.533 nan 8.190 nan 0.000 0.480 737 N N -0.379 118.310 118.700 -0.018 0.000 2.434 737 N HA 0.035 4.777 4.740 0.003 0.000 0.196 737 N C 1.256 176.678 175.510 -0.146 0.000 1.183 737 N CA 0.562 53.559 53.050 -0.088 0.000 0.849 737 N CB 0.782 39.203 38.487 -0.109 0.000 0.992 737 N HN 0.421 nan 8.380 nan 0.000 0.460 738 V N 0.252 120.097 119.914 -0.115 0.000 2.951 738 V HA -0.005 4.117 4.120 0.003 0.000 0.255 738 V C 1.864 177.900 176.094 -0.096 0.000 1.088 738 V CA 0.978 63.203 62.300 -0.125 0.000 1.109 738 V CB -0.044 31.756 31.823 -0.038 0.000 0.724 738 V HN 0.269 nan 8.190 nan 0.000 0.471 739 L N -0.398 120.771 121.223 -0.090 0.000 2.638 739 L HA 0.213 4.555 4.340 0.003 0.000 0.232 739 L C 1.299 178.098 176.870 -0.118 0.000 1.099 739 L CA 0.006 54.781 54.840 -0.107 0.000 0.883 739 L CB -0.099 41.893 42.059 -0.112 0.000 1.136 739 L HN 0.342 nan 8.230 nan 0.000 0.492 740 S N 0.636 116.270 115.700 -0.110 0.000 2.608 740 S HA 0.601 5.072 4.470 0.003 0.000 0.261 740 S C 0.114 174.640 174.600 -0.123 0.000 1.314 740 S CA -0.572 57.562 58.200 -0.110 0.000 0.992 740 S CB 1.592 64.732 63.200 -0.100 0.000 0.935 740 S HN 0.140 nan 8.310 nan 0.000 0.564 741 A N 0.114 122.863 122.820 -0.119 0.000 2.306 741 A HA 0.564 4.886 4.320 0.003 0.000 0.330 741 A C -0.407 177.087 177.584 -0.150 0.000 1.146 741 A CA -0.654 51.308 52.037 -0.125 0.000 0.827 741 A CB 0.658 19.587 19.000 -0.118 0.000 1.178 741 A HN 0.793 nan 8.150 nan 0.000 0.490 742 D N 1.613 121.923 120.400 -0.150 0.000 2.540 742 D HA 0.465 5.107 4.640 0.003 0.000 0.251 742 D C -0.547 175.681 176.300 -0.119 0.000 1.159 742 D CA -0.001 53.905 54.000 -0.156 0.000 0.974 742 D CB -0.400 40.332 40.800 -0.114 0.000 0.996 742 D HN 0.497 nan 8.370 nan 0.000 0.512 743 I N -1.425 119.062 120.570 -0.138 0.000 2.865 743 I HA 0.767 4.938 4.170 0.003 0.000 0.302 743 I C 0.466 176.507 176.117 -0.127 0.000 1.140 743 I CA -1.409 59.803 61.300 -0.147 0.000 1.021 743 I CB 2.057 39.916 38.000 -0.235 0.000 1.233 743 I HN 0.087 nan 8.210 nan 0.000 0.427 744 G N 1.457 110.200 108.800 -0.095 0.000 2.467 744 G HA2 0.373 4.335 3.960 0.003 0.000 0.257 744 G HA3 0.373 4.335 3.960 0.003 0.000 0.257 744 G C 0.929 175.819 174.900 -0.016 0.000 1.227 744 G CA 0.175 45.240 45.100 -0.059 0.000 0.835 744 G HN 0.935 nan 8.290 nan 0.000 0.556 745 T N -1.489 113.071 114.554 0.009 0.000 2.699 745 T HA -0.002 4.349 4.350 0.003 0.000 0.268 745 T C 1.264 176.003 174.700 0.065 0.000 1.036 745 T CA 1.548 63.682 62.100 0.057 0.000 1.147 745 T CB -0.408 68.488 68.868 0.048 0.000 0.862 745 T HN 1.588 nan 8.240 nan 0.000 0.446 746 S N -1.050 114.678 115.700 0.047 0.000 2.669 746 S HA 0.401 4.872 4.470 0.003 0.000 0.266 746 S C -0.020 174.554 174.600 -0.043 0.000 1.149 746 S CA -0.965 57.253 58.200 0.030 0.000 0.842 746 S CB 1.201 64.444 63.200 0.073 0.000 1.160 746 S HN 0.081 nan 8.310 nan 0.000 0.487 747 K N -0.296 119.980 120.400 -0.207 0.000 2.362 747 K HA 0.055 4.376 4.320 0.003 0.000 0.200 747 K C 1.690 178.068 176.600 -0.370 0.000 1.046 747 K CA 1.037 57.027 56.287 -0.494 0.000 0.952 747 K CB -0.462 31.255 32.500 -1.305 0.000 0.753 747 K HN 0.448 nan 8.250 nan 0.000 0.466 748 L N 0.523 121.697 121.223 -0.081 0.000 1.973 748 L HA -0.155 4.187 4.340 0.003 0.000 0.208 748 L C 2.038 179.015 176.870 0.179 0.000 1.073 748 L CA 2.087 57.014 54.840 0.145 0.000 0.746 748 L CB -0.372 41.771 42.059 0.141 0.000 0.891 748 L HN 0.076 nan 8.230 nan 0.000 0.433 749 A N -3.078 119.858 122.820 0.192 0.000 2.140 749 A HA 0.084 4.406 4.320 0.003 0.000 0.209 749 A C 0.810 178.581 177.584 0.312 0.000 1.181 749 A CA 0.200 52.420 52.037 0.304 0.000 0.824 749 A CB 0.100 19.185 19.000 0.142 0.000 0.879 749 A HN 0.546 nan 8.150 nan 0.000 0.480 750 Q N -0.785 119.101 119.800 0.145 0.000 2.457 750 Q HA -0.178 4.163 4.340 0.003 0.000 0.283 750 Q C 0.523 176.471 176.000 -0.087 0.000 1.234 750 Q CA 0.896 56.695 55.803 -0.007 0.000 0.877 750 Q CB -2.475 26.202 28.738 -0.101 0.000 1.250 750 Q HN 0.766 nan 8.270 nan 0.000 0.481 751 G N 0.970 109.743 108.800 -0.046 0.000 2.599 751 G HA2 0.347 4.309 3.960 0.003 0.000 0.264 751 G HA3 0.347 4.309 3.960 0.003 0.000 0.264 751 G C 0.351 175.178 174.900 -0.122 0.000 1.200 751 G CA -0.014 45.023 45.100 -0.105 0.000 0.896 751 G HN 0.484 nan 8.290 nan 0.000 0.536 752 N N -2.344 116.250 118.700 -0.177 0.000 2.467 752 N HA 0.261 5.002 4.740 0.003 0.000 0.262 752 N C -0.232 175.263 175.510 -0.025 0.000 1.234 752 N CA -0.513 52.465 53.050 -0.120 0.000 0.952 752 N CB 1.319 39.736 38.487 -0.118 0.000 1.158 752 N HN 0.212 nan 8.380 nan 0.000 0.463 753 C N 1.382 120.669 119.300 -0.022 0.000 2.624 753 C HA 0.461 4.922 4.460 0.003 0.000 0.263 753 C C 1.776 176.781 174.990 0.025 0.000 1.587 753 C CA -0.719 58.306 59.018 0.012 0.000 1.718 753 C CB -0.898 26.824 27.740 -0.030 0.000 3.050 753 C HN 0.995 nan 8.230 nan 0.000 0.517 754 G N 0.390 109.227 108.800 0.061 0.000 2.586 754 G HA2 -0.167 3.795 3.960 0.003 0.000 0.215 754 G HA3 -0.167 3.795 3.960 0.003 0.000 0.215 754 G C 1.302 176.254 174.900 0.088 0.000 1.128 754 G CA 0.707 45.847 45.100 0.067 0.000 0.774 754 G HN 0.709 nan 8.290 nan 0.000 0.543 755 Q N -0.384 119.490 119.800 0.124 0.000 2.179 755 Q HA 0.088 4.429 4.340 0.003 0.000 0.213 755 Q C 0.020 176.115 176.000 0.159 0.000 0.833 755 Q CA -0.052 55.847 55.803 0.159 0.000 0.990 755 Q CB 0.833 29.715 28.738 0.240 0.000 1.132 755 Q HN 0.165 nan 8.270 nan 0.000 0.493 756 T N 1.566 116.178 114.554 0.097 0.000 3.579 756 T HA 0.297 4.648 4.350 0.003 0.000 0.328 756 T C -0.597 174.095 174.700 -0.014 0.000 1.481 756 T CA 0.047 62.207 62.100 0.100 0.000 1.144 756 T CB 0.060 68.978 68.868 0.083 0.000 1.205 756 T HN -0.124 nan 8.240 nan 0.000 0.812 757 V N 4.371 124.195 119.914 -0.151 0.000 2.623 757 V HA 0.545 4.666 4.120 0.003 0.000 0.304 757 V C -0.431 175.501 176.094 -0.270 0.000 1.054 757 V CA -0.952 61.227 62.300 -0.200 0.000 0.882 757 V CB 2.066 33.768 31.823 -0.202 0.000 1.002 757 V HN 0.572 nan 8.190 nan 0.000 0.424 758 L N 3.609 124.754 121.223 -0.130 0.000 2.354 758 L HA 1.034 5.376 4.340 0.003 0.000 0.269 758 L C 0.043 176.837 176.870 -0.126 0.000 1.005 758 L CA -0.559 54.241 54.840 -0.067 0.000 0.819 758 L CB 2.144 44.248 42.059 0.075 0.000 1.311 758 L HN 0.830 nan 8.230 nan 0.000 0.423 759 A N 1.465 124.219 122.820 -0.110 0.000 2.588 759 A HA 0.741 5.063 4.320 0.003 0.000 0.290 759 A C -1.629 175.882 177.584 -0.122 0.000 1.136 759 A CA -0.445 51.424 52.037 -0.280 0.000 0.681 759 A CB 2.105 20.943 19.000 -0.269 0.000 1.282 759 A HN 0.601 nan 8.150 nan 0.000 0.421 760 E N -0.602 119.435 120.200 -0.271 0.000 2.232 760 E HA 0.715 5.067 4.350 0.003 0.000 0.264 760 E C -1.447 175.037 176.600 -0.194 0.000 0.973 760 E CA -0.424 55.890 56.400 -0.144 0.000 0.849 760 E CB 1.847 31.492 29.700 -0.092 0.000 1.198 760 E HN 0.656 nan 8.360 nan 0.000 0.407 761 V N 2.638 122.540 119.914 -0.021 0.000 2.789 761 V HA 0.497 4.618 4.120 0.003 0.000 0.311 761 V C -0.868 175.297 176.094 0.119 0.000 1.073 761 V CA -0.757 61.574 62.300 0.052 0.000 0.921 761 V CB 1.660 33.504 31.823 0.036 0.000 1.009 761 V HN 0.810 nan 8.190 nan 0.000 0.426 762 E N 2.478 122.775 120.200 0.162 0.000 2.367 762 E HA 0.530 4.881 4.350 0.003 0.000 0.273 762 E C -1.001 175.667 176.600 0.114 0.000 0.903 762 E CA -1.132 55.351 56.400 0.139 0.000 0.764 762 E CB 2.573 32.372 29.700 0.164 0.000 1.252 762 E HN 0.510 nan 8.360 nan 0.000 0.446 763 K N 1.945 122.395 120.400 0.084 0.000 2.448 763 K HA -0.027 4.294 4.320 0.003 0.000 0.278 763 K C -1.274 175.386 176.600 0.100 0.000 1.009 763 K CA -0.204 56.131 56.287 0.079 0.000 0.995 763 K CB 0.340 32.868 32.500 0.047 0.000 0.917 763 K HN 0.565 nan 8.250 nan 0.000 0.481 764 Y N 3.572 123.868 120.300 -0.008 0.000 2.350 764 Y HA 0.143 4.694 4.550 0.003 0.000 0.340 764 Y C 0.167 176.062 175.900 -0.008 0.000 1.006 764 Y CA -0.032 58.058 58.100 -0.016 0.000 1.166 764 Y CB 1.138 39.572 38.460 -0.042 0.000 1.168 764 Y HN 0.721 nan 8.280 nan 0.000 0.502 765 T N 1.703 115.962 114.554 -0.492 0.000 3.288 765 T HA 0.382 4.734 4.350 0.003 0.000 0.293 765 T C 0.756 175.127 174.700 -0.547 0.000 1.008 765 T CA -0.032 61.847 62.100 -0.368 0.000 0.929 765 T CB -0.209 68.551 68.868 -0.180 0.000 1.152 765 T HN 0.756 nan 8.240 nan 0.000 0.517 766 G N 2.765 110.818 108.800 -1.245 0.000 2.525 766 G HA2 0.538 4.500 3.960 0.003 0.000 0.276 766 G HA3 0.538 4.500 3.960 0.003 0.000 0.276 766 G C -2.223 172.519 174.900 -0.264 0.000 1.388 766 G CA -1.260 43.377 45.100 -0.772 0.000 1.050 766 G HN 0.279 nan 8.290 nan 0.000 0.520 767 P HA 0.325 nan 4.420 nan 0.000 0.271 767 P C 0.038 177.453 177.300 0.192 0.000 1.216 767 P CA -0.100 63.043 63.100 0.072 0.000 0.776 767 P CB 0.695 32.434 31.700 0.065 0.000 0.881 768 A N 2.902 125.809 122.820 0.145 0.000 2.555 768 A HA 0.199 4.520 4.320 0.003 0.000 0.233 768 A C 0.201 177.872 177.584 0.144 0.000 1.060 768 A CA 0.133 52.267 52.037 0.161 0.000 0.759 768 A CB -0.187 18.875 19.000 0.104 0.000 0.995 768 A HN 0.430 nan 8.150 nan 0.000 0.506 769 V N 1.763 121.763 119.914 0.144 0.000 2.815 769 V HA 0.561 4.682 4.120 0.003 0.000 0.314 769 V C 0.261 176.402 176.094 0.078 0.000 1.064 769 V CA -0.365 61.997 62.300 0.104 0.000 0.952 769 V CB 2.464 34.348 31.823 0.103 0.000 1.020 769 V HN 0.991 nan 8.190 nan 0.000 0.439 770 T N 5.352 119.934 114.554 0.048 0.000 2.779 770 T HA 0.543 4.895 4.350 0.003 0.000 0.280 770 T C -0.311 174.401 174.700 0.021 0.000 0.987 770 T CA -0.318 61.799 62.100 0.029 0.000 0.966 770 T CB 0.869 69.746 68.868 0.015 0.000 0.933 770 T HN 0.365 nan 8.240 nan 0.000 0.442 771 L N 3.472 124.709 121.223 0.023 0.000 2.410 771 L HA 0.265 4.607 4.340 0.003 0.000 0.273 771 L C 1.513 178.379 176.870 -0.006 0.000 1.152 771 L CA -0.145 54.713 54.840 0.030 0.000 0.855 771 L CB 0.469 42.584 42.059 0.093 0.000 1.129 771 L HN 0.863 nan 8.230 nan 0.000 0.463 772 T N -2.870 111.646 114.554 -0.064 0.000 3.043 772 T HA 0.104 4.456 4.350 0.003 0.000 0.272 772 T C 1.333 175.934 174.700 -0.164 0.000 0.990 772 T CA 0.264 62.307 62.100 -0.094 0.000 0.897 772 T CB 0.609 69.417 68.868 -0.100 0.000 1.111 772 T HN 0.671 nan 8.240 nan 0.000 0.529 773 G N 0.599 109.217 108.800 -0.304 0.000 2.880 773 G HA2 0.219 4.180 3.960 0.003 0.000 0.209 773 G HA3 0.219 4.180 3.960 0.003 0.000 0.209 773 G C 0.362 174.968 174.900 -0.490 0.000 1.157 773 G CA -0.132 44.699 45.100 -0.449 0.000 0.779 773 G HN 0.515 nan 8.290 nan 0.000 0.539 774 F N 0.789 120.771 119.950 0.053 0.000 2.684 774 F HA 0.377 4.905 4.527 0.003 0.000 0.298 774 F C 0.424 176.248 175.800 0.041 0.000 1.120 774 F CA -1.206 56.824 58.000 0.050 0.000 1.332 774 F CB 0.502 39.446 39.000 -0.093 0.000 0.986 774 F HN 0.000 nan 8.300 nan 0.000 0.524 775 V N -2.105 117.872 119.914 0.104 0.000 2.962 775 V HA 0.938 5.059 4.120 0.003 0.000 0.313 775 V C -0.011 176.036 176.094 -0.079 0.000 1.099 775 V CA -1.650 60.670 62.300 0.034 0.000 0.971 775 V CB 1.157 32.977 31.823 -0.006 0.000 1.028 775 V HN 0.031 nan 8.190 nan 0.000 0.430 776 A N 3.759 126.496 122.820 -0.139 0.000 2.407 776 A HA 0.747 5.068 4.320 0.003 0.000 0.248 776 A C -2.177 175.094 177.584 -0.522 0.000 1.082 776 A CA -1.275 50.477 52.037 -0.475 0.000 0.785 776 A CB -0.612 18.203 19.000 -0.308 0.000 1.020 776 A HN 0.873 nan 8.150 nan 0.000 0.489 777 P HA 0.014 nan 4.420 nan 0.000 0.264 777 P C 0.393 177.511 177.300 -0.302 0.000 1.179 777 P CA 0.025 62.836 63.100 -0.482 0.000 0.763 777 P CB 0.490 31.875 31.700 -0.524 0.000 0.806 778 K N 3.304 123.602 120.400 -0.170 0.000 2.103 778 K HA -0.153 4.168 4.320 0.003 0.000 0.207 778 K C 1.954 178.515 176.600 -0.065 0.000 1.048 778 K CA 2.015 58.241 56.287 -0.101 0.000 0.930 778 K CB -1.061 31.396 32.500 -0.072 0.000 0.716 778 K HN 0.504 nan 8.250 nan 0.000 0.444 779 A N -0.371 122.419 122.820 -0.049 0.000 2.121 779 A HA 0.032 4.353 4.320 0.003 0.000 0.218 779 A C 1.991 179.592 177.584 0.029 0.000 1.154 779 A CA 1.663 53.698 52.037 -0.004 0.000 0.679 779 A CB -0.455 18.565 19.000 0.033 0.000 0.795 779 A HN 0.321 nan 8.150 nan 0.000 0.458 780 A N -0.945 121.875 122.820 -0.001 0.000 2.308 780 A HA 0.279 4.601 4.320 0.003 0.000 0.217 780 A C 0.931 178.589 177.584 0.124 0.000 1.216 780 A CA 0.212 52.321 52.037 0.120 0.000 0.864 780 A CB -0.094 18.932 19.000 0.044 0.000 0.902 780 A HN 0.595 nan 8.150 nan 0.000 0.499 781 E N 0.000 120.220 120.200 0.034 0.000 2.725 781 E HA 0.000 4.352 4.350 0.003 0.000 0.291 781 E CA 0.000 56.405 56.400 0.009 0.000 0.976 781 E CB 0.000 29.681 29.700 -0.032 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440