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 4dmr_1_A DATA FIRST_RESID 3 DATA SEQUENCE LANGTVMSGS HWGVFTATVE NGRATAFTPW EKDPHPSPML AGVLDSIYSP DATA SEQUENCE TRIKYPMVRR EFLEKGVNAD RSTRGNGDFV RVSWDQALDL VAAEVKRVEE DATA SEQUENCE TYGPSGVFGG 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 XKGPEWLAXX XASVIPVARV DATA SEQUENCE VDMLENPGAE FDFNGTRSKF PDVKMAYWVG GNPFVHHQDR NRMVKAWEKL DATA SEQUENCE ETFVVHDFQW TPTARHADIV LPATTSYERN DIETIGDYSN TGILAMKKIV DATA SEQUENCE EPLYEARSDY DIFAAVAERL GKGAEFTEGK DEMGWIKSFY DDAAKQGKAA DATA SEQUENCE GVQMPAFDAF 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 0.000 176.873 176.870 0.004 0.000 1.165 3 L CA 0.000 54.842 54.840 0.004 0.000 0.813 3 L CB 0.000 42.059 42.059 0.001 0.000 0.961 4 A N 2.549 125.374 122.820 0.008 0.000 2.425 4 A HA 0.618 4.935 4.320 -0.005 0.000 0.249 4 A C -0.478 177.111 177.584 0.009 0.000 1.084 4 A CA -0.124 51.919 52.037 0.009 0.000 0.781 4 A CB 0.138 19.147 19.000 0.015 0.000 1.019 4 A HN 0.675 nan 8.150 nan 0.000 0.490 5 N N 0.492 119.196 118.700 0.006 0.000 2.295 5 N HA 0.687 5.424 4.740 -0.005 0.000 0.293 5 N C -0.086 175.426 175.510 0.004 0.000 1.040 5 N CA 0.465 53.518 53.050 0.005 0.000 0.840 5 N CB 2.243 40.730 38.487 0.000 0.000 1.468 5 N HN 1.160 nan 8.380 nan 0.000 0.478 6 G N -0.038 108.766 108.800 0.006 0.000 2.345 6 G HA2 0.247 4.204 3.960 -0.005 0.000 0.285 6 G HA3 0.247 4.204 3.960 -0.005 0.000 0.285 6 G C -1.495 173.408 174.900 0.005 0.000 1.297 6 G CA -0.584 44.517 45.100 0.001 0.000 0.875 6 G HN 0.544 nan 8.290 nan 0.000 0.506 7 T N -2.556 111.993 114.554 -0.008 0.000 2.893 7 T HA 0.795 5.142 4.350 -0.005 0.000 0.291 7 T C -0.948 173.727 174.700 -0.043 0.000 1.028 7 T CA -0.786 61.307 62.100 -0.011 0.000 0.995 7 T CB 2.047 70.907 68.868 -0.013 0.000 1.051 7 T HN 1.373 nan 8.240 nan 0.000 0.470 8 V N 2.939 122.818 119.914 -0.059 0.000 2.808 8 V HA 0.529 4.646 4.120 -0.005 0.000 0.308 8 V C -0.434 175.533 176.094 -0.211 0.000 1.099 8 V CA -0.966 61.261 62.300 -0.122 0.000 0.920 8 V CB 2.015 33.783 31.823 -0.091 0.000 1.014 8 V HN 1.123 nan 8.190 nan 0.000 0.425 9 M N 3.418 122.835 119.600 -0.305 0.000 2.264 9 M HA 0.743 5.220 4.480 -0.005 0.000 0.352 9 M C -0.188 175.765 176.300 -0.578 0.000 1.173 9 M CA 0.573 55.606 55.300 -0.446 0.000 1.075 9 M CB 1.509 33.863 32.600 -0.410 0.000 1.621 9 M HN 0.820 nan 8.290 nan 0.000 0.457 10 S N 2.173 117.348 115.700 -0.875 0.000 2.843 10 S HA 0.974 5.441 4.470 -0.005 0.000 0.301 10 S C -0.902 173.112 174.600 -0.976 0.000 1.206 10 S CA -0.261 57.458 58.200 -0.801 0.000 0.875 10 S CB 1.776 64.651 63.200 -0.541 0.000 1.248 10 S HN 0.990 nan 8.310 nan 0.000 0.555 11 G N 0.275 108.774 108.800 -0.500 0.000 2.708 11 G HA2 0.722 4.679 3.960 -0.005 0.000 0.289 11 G HA3 0.722 4.679 3.960 -0.005 0.000 0.289 11 G C -1.052 173.992 174.900 0.240 0.000 1.416 11 G CA 0.156 45.151 45.100 -0.174 0.000 0.829 11 G HN 1.512 nan 8.290 nan 0.000 0.480 12 S N -2.133 113.762 115.700 0.324 0.000 2.703 12 S HA 0.378 4.846 4.470 -0.005 0.000 0.273 12 S C 0.172 174.937 174.600 0.276 0.000 1.178 12 S CA -0.609 57.847 58.200 0.426 0.000 0.838 12 S CB 1.130 64.828 63.200 0.830 0.000 1.178 12 S HN 0.539 nan 8.310 nan 0.000 0.494 13 H N -0.206 119.002 119.070 0.230 0.000 2.518 13 H HA 0.059 4.612 4.556 -0.005 0.000 0.289 13 H C 0.511 175.760 175.328 -0.130 0.000 1.051 13 H CA 1.394 57.385 56.048 -0.093 0.000 1.280 13 H CB 0.047 29.541 29.762 -0.447 0.000 1.380 13 H HN 0.585 nan 8.280 nan 0.000 0.566 14 W N 0.636 122.129 121.300 0.322 0.000 3.211 14 W HA 0.347 5.005 4.660 -0.005 0.000 0.292 14 W C 0.606 177.303 176.519 0.297 0.000 1.268 14 W CA 0.812 58.331 57.345 0.290 0.000 1.702 14 W CB 0.994 30.600 29.460 0.244 0.000 1.092 14 W HN 0.185 nan 8.180 nan 0.000 0.643 15 G N -0.096 108.964 108.800 0.433 0.000 2.361 15 G HA2 0.050 4.007 3.960 -0.005 0.000 0.331 15 G HA3 0.050 4.007 3.960 -0.005 0.000 0.331 15 G C -1.570 173.510 174.900 0.299 0.000 1.324 15 G CA -1.199 44.088 45.100 0.312 0.000 0.984 15 G HN -0.228 nan 8.290 nan 0.000 0.586 16 V N 0.739 120.759 119.914 0.176 0.000 2.607 16 V HA 0.785 4.902 4.120 -0.005 0.000 0.289 16 V C 0.288 176.450 176.094 0.114 0.000 1.053 16 V CA 0.470 62.721 62.300 -0.081 0.000 0.996 16 V CB 0.365 31.888 31.823 -0.500 0.000 0.995 16 V HN 1.274 nan 8.190 nan 0.000 0.476 17 F N 0.843 120.715 119.950 -0.130 0.000 2.711 17 F HA 0.776 5.300 4.527 -0.005 0.000 0.313 17 F C -0.567 175.119 175.800 -0.191 0.000 1.141 17 F CA -0.920 57.016 58.000 -0.107 0.000 0.941 17 F CB 1.648 40.548 39.000 -0.167 0.000 1.349 17 F HN 0.240 nan 8.300 nan 0.000 0.464 18 T N 1.660 116.274 114.554 0.101 0.000 2.792 18 T HA 0.757 5.104 4.350 -0.005 0.000 0.280 18 T C -0.465 174.322 174.700 0.146 0.000 0.990 18 T CA -0.429 61.670 62.100 -0.001 0.000 0.960 18 T CB 1.326 70.203 68.868 0.014 0.000 0.939 18 T HN 0.924 nan 8.240 nan 0.000 0.439 19 A N 2.867 125.737 122.820 0.083 0.000 2.301 19 A HA 0.679 4.996 4.320 -0.005 0.000 0.312 19 A C 0.396 178.062 177.584 0.137 0.000 1.182 19 A CA -0.607 51.547 52.037 0.195 0.000 0.826 19 A CB 0.416 19.536 19.000 0.199 0.000 1.134 19 A HN 0.698 nan 8.150 nan 0.000 0.501 20 T N 1.982 116.630 114.554 0.157 0.000 2.767 20 T HA 0.481 4.828 4.350 -0.005 0.000 0.288 20 T C -0.322 174.431 174.700 0.088 0.000 0.963 20 T CA -0.113 62.040 62.100 0.088 0.000 1.019 20 T CB 0.811 69.716 68.868 0.063 0.000 0.923 20 T HN 0.402 nan 8.240 nan 0.000 0.468 21 V N 4.367 124.317 119.914 0.060 0.000 2.448 21 V HA 0.428 4.545 4.120 -0.005 0.000 0.295 21 V C -0.194 175.916 176.094 0.026 0.000 1.025 21 V CA -0.759 61.574 62.300 0.055 0.000 0.859 21 V CB 1.711 33.568 31.823 0.056 0.000 0.988 21 V HN 0.868 nan 8.190 nan 0.000 0.431 22 E N 4.387 124.595 120.200 0.012 0.000 2.216 22 E HA 0.407 4.754 4.350 -0.005 0.000 0.260 22 E C -0.531 176.062 176.600 -0.011 0.000 0.880 22 E CA -0.692 55.705 56.400 -0.004 0.000 0.765 22 E CB 1.116 30.806 29.700 -0.017 0.000 1.174 22 E HN 0.664 nan 8.360 nan 0.000 0.417 23 N N 2.310 121.006 118.700 -0.007 0.000 2.727 23 N HA -0.231 4.506 4.740 -0.005 0.000 0.249 23 N C 0.670 176.178 175.510 -0.003 0.000 1.048 23 N CA 1.346 54.391 53.050 -0.008 0.000 0.714 23 N CB -1.040 37.437 38.487 -0.018 0.000 0.959 23 N HN 1.077 nan 8.380 nan 0.000 0.544 24 G N -0.591 108.215 108.800 0.011 0.000 2.184 24 G HA2 -0.374 3.583 3.960 -0.005 0.000 0.264 24 G HA3 -0.374 3.583 3.960 -0.005 0.000 0.264 24 G C 0.045 174.972 174.900 0.045 0.000 0.975 24 G CA 0.820 45.935 45.100 0.025 0.000 0.642 24 G HN 0.783 nan 8.290 nan 0.000 0.536 25 R N 0.254 120.771 120.500 0.028 0.000 2.562 25 R HA 0.727 5.064 4.340 -0.005 0.000 0.298 25 R C 0.375 176.713 176.300 0.064 0.000 0.961 25 R CA -0.049 56.072 56.100 0.034 0.000 0.881 25 R CB 1.131 31.362 30.300 -0.114 0.000 1.159 25 R HN 0.690 nan 8.270 nan 0.000 0.450 26 A N 2.477 125.406 122.820 0.182 0.000 2.409 26 A HA 0.216 4.533 4.320 -0.005 0.000 0.267 26 A C 0.761 178.374 177.584 0.049 0.000 1.127 26 A CA 0.031 52.172 52.037 0.174 0.000 0.795 26 A CB 0.414 19.589 19.000 0.292 0.000 1.061 26 A HN 0.949 nan 8.150 nan 0.000 0.502 27 T N -1.140 113.425 114.554 0.017 0.000 3.003 27 T HA 0.592 4.939 4.350 -0.005 0.000 0.261 27 T C 0.272 174.938 174.700 -0.056 0.000 1.003 27 T CA 0.594 62.662 62.100 -0.053 0.000 0.917 27 T CB 0.063 68.902 68.868 -0.048 0.000 1.084 27 T HN 1.899 nan 8.240 nan 0.000 0.522 28 A N 0.797 123.619 122.820 0.004 0.000 2.594 28 A HA 0.624 4.941 4.320 -0.005 0.000 0.296 28 A C -2.093 175.624 177.584 0.221 0.000 1.056 28 A CA -0.772 51.273 52.037 0.013 0.000 0.693 28 A CB 0.829 19.843 19.000 0.022 0.000 1.278 28 A HN 0.144 nan 8.150 nan 0.000 0.408 29 F N 1.376 121.256 119.950 -0.117 0.000 2.427 29 F HA 0.627 5.151 4.527 -0.005 0.000 0.348 29 F C 0.433 176.206 175.800 -0.045 0.000 1.125 29 F CA -0.733 57.186 58.000 -0.135 0.000 0.989 29 F CB 2.140 40.844 39.000 -0.493 0.000 1.165 29 F HN 0.456 nan 8.300 nan 0.000 0.442 30 T N 5.601 120.286 114.554 0.218 0.000 2.794 30 T HA 0.437 4.784 4.350 -0.005 0.000 0.280 30 T C -2.569 172.249 174.700 0.198 0.000 0.987 30 T CA -1.615 60.577 62.100 0.153 0.000 0.993 30 T CB 1.787 70.723 68.868 0.114 0.000 0.939 30 T HN 0.106 nan 8.240 nan 0.000 0.449 31 P HA 0.029 nan 4.420 nan 0.000 0.267 31 P C -0.502 176.955 177.300 0.261 0.000 1.200 31 P CA -0.630 62.605 63.100 0.225 0.000 0.772 31 P CB 0.409 32.199 31.700 0.150 0.000 0.855 32 W N 4.060 125.410 121.300 0.083 0.000 2.257 32 W HA 0.006 4.664 4.660 -0.005 0.000 0.337 32 W C 1.512 178.049 176.519 0.029 0.000 1.321 32 W CA -0.391 56.974 57.345 0.033 0.000 1.267 32 W CB -0.077 29.398 29.460 0.025 0.000 1.187 32 W HN 0.635 nan 8.180 nan 0.000 0.565 33 E N 2.883 123.080 120.200 -0.004 0.000 2.204 33 E HA -0.239 4.108 4.350 -0.005 0.000 0.195 33 E C 1.068 177.438 176.600 -0.383 0.000 0.990 33 E CA 1.568 57.873 56.400 -0.159 0.000 0.821 33 E CB -0.108 29.532 29.700 -0.101 0.000 0.750 33 E HN 0.573 nan 8.360 nan 0.000 0.477 34 K N 0.725 120.585 120.400 -0.900 0.000 2.444 34 K HA 0.030 4.347 4.320 -0.005 0.000 0.193 34 K C 0.152 176.341 176.600 -0.684 0.000 1.024 34 K CA 0.059 55.779 56.287 -0.946 0.000 1.077 34 K CB 0.216 31.810 32.500 -1.509 0.000 0.833 34 K HN 0.087 nan 8.250 nan 0.000 0.517 35 D N 1.972 122.149 120.400 -0.372 0.000 2.371 35 D HA 0.011 4.648 4.640 -0.005 0.000 0.256 35 D C -1.428 174.880 176.300 0.012 0.000 1.193 35 D CA -1.930 52.082 54.000 0.020 0.000 0.881 35 D CB 1.393 42.358 40.800 0.276 0.000 1.143 35 D HN -0.022 nan 8.370 nan 0.000 0.473 36 P HA -0.076 nan 4.420 nan 0.000 0.223 36 P C -0.165 177.163 177.300 0.047 0.000 1.151 36 P CA 0.795 63.925 63.100 0.049 0.000 0.787 36 P CB 0.289 32.046 31.700 0.096 0.000 0.788 37 H N -1.379 117.625 119.070 -0.109 0.000 2.888 37 H HA 0.331 4.884 4.556 -0.005 0.000 0.280 37 H C -2.821 172.199 175.328 -0.513 0.000 1.431 37 H CA -1.576 54.241 56.048 -0.384 0.000 1.573 37 H CB 0.560 29.859 29.762 -0.772 0.000 1.924 37 H HN -0.129 nan 8.280 nan 0.000 0.645 38 P HA -0.001 nan 4.420 nan 0.000 0.268 38 P C -0.321 176.874 177.300 -0.176 0.000 1.208 38 P CA -0.040 62.995 63.100 -0.109 0.000 0.777 38 P CB 1.060 32.751 31.700 -0.014 0.000 0.875 39 S N 2.078 117.774 115.700 -0.006 0.000 2.525 39 S HA 0.338 4.805 4.470 -0.005 0.000 0.278 39 S C -1.572 173.058 174.600 0.050 0.000 1.234 39 S CA -1.608 56.625 58.200 0.055 0.000 1.058 39 S CB -0.027 63.331 63.200 0.263 0.000 0.983 39 S HN 0.219 nan 8.310 nan 0.000 0.495 40 P HA 0.009 nan 4.420 nan 0.000 0.225 40 P C 1.080 178.381 177.300 0.002 0.000 1.148 40 P CA 0.990 64.105 63.100 0.025 0.000 0.779 40 P CB 0.025 31.763 31.700 0.063 0.000 0.780 41 M N -1.537 118.070 119.600 0.011 0.000 2.549 41 M HA -0.053 4.424 4.480 -0.005 0.000 0.260 41 M C 1.841 177.949 176.300 -0.320 0.000 1.076 41 M CA 0.925 56.151 55.300 -0.124 0.000 1.090 41 M CB -0.628 31.917 32.600 -0.092 0.000 1.418 41 M HN -0.019 nan 8.290 nan 0.000 0.486 42 L N 0.070 121.166 121.223 -0.212 0.000 2.051 42 L HA -0.270 4.067 4.340 -0.005 0.000 0.214 42 L C 2.758 179.448 176.870 -0.299 0.000 1.076 42 L CA 1.570 56.270 54.840 -0.233 0.000 0.758 42 L CB -0.715 41.302 42.059 -0.070 0.000 0.890 42 L HN 0.347 nan 8.230 nan 0.000 0.433 43 A N -0.142 122.535 122.820 -0.239 0.000 1.940 43 A HA -0.168 4.149 4.320 -0.005 0.000 0.219 43 A C 2.324 179.713 177.584 -0.326 0.000 1.176 43 A CA 1.784 53.658 52.037 -0.272 0.000 0.631 43 A CB -1.117 17.776 19.000 -0.178 0.000 0.814 43 A HN 0.496 nan 8.150 nan 0.000 0.446 44 G N -0.752 107.869 108.800 -0.299 0.000 2.422 44 G HA2 -0.026 3.931 3.960 -0.005 0.000 0.218 44 G HA3 -0.026 3.931 3.960 -0.005 0.000 0.218 44 G C 1.447 176.140 174.900 -0.346 0.000 1.140 44 G CA 1.086 46.019 45.100 -0.278 0.000 0.775 44 G HN 0.321 nan 8.290 nan 0.000 0.545 45 V N 0.955 120.569 119.914 -0.500 0.000 2.295 45 V HA -0.161 3.956 4.120 -0.005 0.000 0.246 45 V C 2.660 178.463 176.094 -0.485 0.000 1.049 45 V CA 1.678 63.690 62.300 -0.480 0.000 1.024 45 V CB -0.576 30.927 31.823 -0.535 0.000 0.648 45 V HN 0.388 nan 8.190 nan 0.000 0.447 46 L N 0.933 121.642 121.223 -0.858 0.000 2.012 46 L HA -0.204 4.133 4.340 -0.005 0.000 0.210 46 L C 2.074 178.676 176.870 -0.448 0.000 1.073 46 L CA 2.600 56.780 54.840 -1.101 0.000 0.748 46 L CB -0.989 40.234 42.059 -1.393 0.000 0.891 46 L HN 0.400 nan 8.230 nan 0.000 0.431 47 D N -1.021 119.193 120.400 -0.311 0.000 2.178 47 D HA -0.201 4.436 4.640 -0.005 0.000 0.201 47 D C 2.324 178.599 176.300 -0.042 0.000 0.980 47 D CA 1.268 55.197 54.000 -0.118 0.000 0.842 47 D CB -0.065 40.657 40.800 -0.129 0.000 0.948 47 D HN 0.608 nan 8.370 nan 0.000 0.472 48 S N -0.564 115.103 115.700 -0.055 0.000 2.442 48 S HA -0.141 4.326 4.470 -0.005 0.000 0.236 48 S C 2.110 176.746 174.600 0.060 0.000 1.007 48 S CA 0.582 58.834 58.200 0.086 0.000 0.965 48 S CB -0.689 62.632 63.200 0.202 0.000 0.773 48 S HN 0.398 nan 8.310 nan 0.000 0.504 49 I N -0.750 119.737 120.570 -0.139 0.000 2.315 49 I HA -0.086 4.081 4.170 -0.005 0.000 0.248 49 I C 1.445 177.313 176.117 -0.414 0.000 1.117 49 I CA 1.252 62.326 61.300 -0.377 0.000 1.404 49 I CB -0.225 37.355 38.000 -0.700 0.000 1.071 49 I HN 0.308 nan 8.210 nan 0.000 0.419 50 Y N -0.050 120.267 120.300 0.028 0.000 2.500 50 Y HA 0.209 4.757 4.550 -0.005 0.000 0.246 50 Y C 1.607 177.556 175.900 0.081 0.000 1.146 50 Y CA -0.686 57.445 58.100 0.053 0.000 1.230 50 Y CB -0.201 38.251 38.460 -0.013 0.000 1.214 50 Y HN -0.018 nan 8.280 nan 0.000 0.526 51 S N 0.938 116.756 115.700 0.197 0.000 2.587 51 S HA 0.054 4.521 4.470 -0.005 0.000 0.260 51 S C -1.603 173.103 174.600 0.178 0.000 1.353 51 S CA -0.855 57.438 58.200 0.155 0.000 0.995 51 S CB 0.936 64.207 63.200 0.118 0.000 0.912 51 S HN -0.024 nan 8.310 nan 0.000 0.568 52 P HA -0.010 nan 4.420 nan 0.000 0.221 52 P C 1.031 178.447 177.300 0.194 0.000 1.145 52 P CA 1.241 64.425 63.100 0.140 0.000 0.795 52 P CB -0.396 31.366 31.700 0.104 0.000 0.775 53 T N -4.136 110.579 114.554 0.268 0.000 3.188 53 T HA 0.179 4.526 4.350 -0.005 0.000 0.250 53 T C 0.705 175.629 174.700 0.373 0.000 1.077 53 T CA -0.456 61.880 62.100 0.394 0.000 0.967 53 T CB -0.389 68.803 68.868 0.539 0.000 1.006 53 T HN -0.126 nan 8.240 nan 0.000 0.552 54 R N 1.959 122.620 120.500 0.268 0.000 2.537 54 R HA 0.297 4.634 4.340 -0.005 0.000 0.280 54 R C -0.364 175.975 176.300 0.066 0.000 1.058 54 R CA -0.518 55.701 56.100 0.199 0.000 1.057 54 R CB -0.370 30.072 30.300 0.237 0.000 0.973 54 R HN 0.404 nan 8.270 nan 0.000 0.438 55 I N 6.195 126.699 120.570 -0.109 0.000 2.337 55 I HA 0.056 4.223 4.170 -0.005 0.000 0.291 55 I C 1.068 177.031 176.117 -0.256 0.000 1.046 55 I CA -0.103 60.994 61.300 -0.339 0.000 1.324 55 I CB 1.315 38.892 38.000 -0.706 0.000 1.409 55 I HN 0.698 nan 8.210 nan 0.000 0.494 56 K N 5.082 125.227 120.400 -0.425 0.000 2.067 56 K HA 0.058 4.375 4.320 -0.005 0.000 0.203 56 K C -0.467 175.756 176.600 -0.629 0.000 1.048 56 K CA 1.115 56.921 56.287 -0.802 0.000 0.954 56 K CB 0.168 31.701 32.500 -1.613 0.000 0.737 56 K HN 0.381 nan 8.250 nan 0.000 0.444 57 Y N -0.198 120.029 120.300 -0.121 0.000 2.576 57 Y HA 0.321 4.868 4.550 -0.005 0.000 0.346 57 Y C -2.558 173.141 175.900 -0.335 0.000 1.018 57 Y CA -3.800 54.186 58.100 -0.189 0.000 1.050 57 Y CB 0.447 38.823 38.460 -0.139 0.000 1.280 57 Y HN -0.099 nan 8.280 nan 0.000 0.474 58 P HA 0.206 nan 4.420 nan 0.000 0.271 58 P C -0.741 176.396 177.300 -0.272 0.000 1.216 58 P CA 0.269 63.037 63.100 -0.553 0.000 0.771 58 P CB 0.517 31.629 31.700 -0.979 0.000 0.864 59 M N 2.119 121.589 119.600 -0.218 0.000 2.572 59 M HA 0.457 4.934 4.480 -0.005 0.000 0.299 59 M C -0.912 175.404 176.300 0.027 0.000 1.205 59 M CA -1.037 54.220 55.300 -0.071 0.000 0.876 59 M CB 2.205 34.742 32.600 -0.105 0.000 1.728 59 M HN -0.043 nan 8.290 nan 0.000 0.458 60 V N 1.393 121.409 119.914 0.169 0.000 2.588 60 V HA 0.480 4.597 4.120 -0.005 0.000 0.304 60 V C 0.096 176.389 176.094 0.332 0.000 1.042 60 V CA -0.922 61.512 62.300 0.223 0.000 0.877 60 V CB 2.169 34.095 31.823 0.172 0.000 0.996 60 V HN 0.862 nan 8.190 nan 0.000 0.425 61 R N 2.717 123.391 120.500 0.289 0.000 2.502 61 R HA 0.093 4.431 4.340 -0.005 0.000 0.292 61 R C 1.601 177.938 176.300 0.063 0.000 0.998 61 R CA 0.127 56.233 56.100 0.010 0.000 1.056 61 R CB 0.302 30.563 30.300 -0.066 0.000 0.939 61 R HN 0.738 nan 8.270 nan 0.000 0.411 62 R N 3.048 123.532 120.500 -0.027 0.000 2.096 62 R HA -0.248 4.089 4.340 -0.005 0.000 0.240 62 R C 1.059 177.373 176.300 0.024 0.000 1.139 62 R CA 2.444 58.547 56.100 0.006 0.000 0.952 62 R CB 0.022 30.302 30.300 -0.034 0.000 0.854 62 R HN 0.710 nan 8.270 nan 0.000 0.436 63 E N -0.393 119.813 120.200 0.011 0.000 2.118 63 E HA -0.199 4.148 4.350 -0.005 0.000 0.195 63 E C 1.538 178.182 176.600 0.074 0.000 0.992 63 E CA 1.527 57.944 56.400 0.028 0.000 0.804 63 E CB -0.301 29.412 29.700 0.023 0.000 0.741 63 E HN 0.354 nan 8.360 nan 0.000 0.458 64 F N 0.481 120.427 119.950 -0.006 0.000 2.146 64 F HA -0.091 4.433 4.527 -0.005 0.000 0.298 64 F C 1.910 177.725 175.800 0.023 0.000 1.096 64 F CA 1.023 59.036 58.000 0.022 0.000 1.275 64 F CB -0.092 38.934 39.000 0.043 0.000 1.008 64 F HN -0.007 nan 8.300 nan 0.000 0.480 65 L N 0.055 121.374 121.223 0.159 0.000 2.013 65 L HA -0.262 4.075 4.340 -0.005 0.000 0.212 65 L C 2.223 179.068 176.870 -0.042 0.000 1.073 65 L CA 2.101 56.980 54.840 0.066 0.000 0.753 65 L CB -0.464 41.648 42.059 0.089 0.000 0.890 65 L HN 0.266 nan 8.230 nan 0.000 0.432 66 E N -0.761 119.417 120.200 -0.037 0.000 2.122 66 E HA -0.175 4.173 4.350 -0.005 0.000 0.190 66 E C 1.566 178.118 176.600 -0.081 0.000 0.977 66 E CA 0.866 57.237 56.400 -0.048 0.000 0.820 66 E CB 0.222 29.907 29.700 -0.026 0.000 0.770 66 E HN 0.333 nan 8.360 nan 0.000 0.462 67 K N -0.630 119.703 120.400 -0.112 0.000 2.402 67 K HA 0.163 4.480 4.320 -0.005 0.000 0.204 67 K C 0.655 177.134 176.600 -0.202 0.000 1.056 67 K CA 0.319 56.536 56.287 -0.118 0.000 1.069 67 K CB 1.539 34.002 32.500 -0.062 0.000 0.888 67 K HN 0.201 nan 8.250 nan 0.000 0.546 68 G N 1.101 109.647 108.800 -0.423 0.000 2.651 68 G HA2 -0.429 3.528 3.960 -0.005 0.000 0.315 68 G HA3 -0.429 3.528 3.960 -0.005 0.000 0.315 68 G C 1.040 175.743 174.900 -0.328 0.000 1.258 68 G CA 1.044 45.750 45.100 -0.657 0.000 1.002 68 G HN 0.356 nan 8.290 nan 0.000 0.551 69 V N -1.113 118.723 119.914 -0.129 0.000 2.913 69 V HA 0.047 4.164 4.120 -0.005 0.000 0.260 69 V C 1.856 177.963 176.094 0.023 0.000 1.098 69 V CA 2.610 64.922 62.300 0.020 0.000 1.121 69 V CB -0.367 31.493 31.823 0.062 0.000 0.714 69 V HN 0.571 nan 8.190 nan 0.000 0.487 70 N N 1.409 120.100 118.700 -0.016 0.000 2.322 70 N HA 0.343 5.080 4.740 -0.005 0.000 0.194 70 N C 0.774 176.286 175.510 0.004 0.000 1.126 70 N CA 0.753 53.802 53.050 -0.002 0.000 0.845 70 N CB 0.449 38.927 38.487 -0.015 0.000 0.976 70 N HN 0.698 nan 8.380 nan 0.000 0.475 71 A N 0.792 123.619 122.820 0.012 0.000 2.425 71 A HA 0.040 4.357 4.320 -0.005 0.000 0.242 71 A C 0.263 177.878 177.584 0.051 0.000 1.077 71 A CA -0.237 51.821 52.037 0.035 0.000 0.781 71 A CB 0.246 19.298 19.000 0.087 0.000 1.020 71 A HN 0.112 nan 8.150 nan 0.000 0.494 72 D N 0.375 120.798 120.400 0.039 0.000 2.338 72 D HA 0.139 4.776 4.640 -0.005 0.000 0.255 72 D C 0.937 177.270 176.300 0.055 0.000 1.237 72 D CA 0.091 54.113 54.000 0.037 0.000 0.883 72 D CB 0.389 41.200 40.800 0.019 0.000 1.087 72 D HN 0.467 nan 8.370 nan 0.000 0.485 73 R N 1.871 122.415 120.500 0.072 0.000 2.310 73 R HA -0.003 4.335 4.340 -0.005 0.000 0.202 73 R C 1.831 178.187 176.300 0.093 0.000 0.933 73 R CA 0.454 56.613 56.100 0.099 0.000 1.054 73 R CB 0.119 30.489 30.300 0.116 0.000 0.985 73 R HN 0.453 nan 8.270 nan 0.000 0.489 74 S N 0.114 115.853 115.700 0.065 0.000 2.489 74 S HA -0.085 4.382 4.470 -0.005 0.000 0.228 74 S C 1.783 176.404 174.600 0.034 0.000 0.995 74 S CA 1.096 59.333 58.200 0.060 0.000 0.934 74 S CB -0.105 63.122 63.200 0.045 0.000 0.771 74 S HN 0.311 nan 8.310 nan 0.000 0.522 75 T N -0.893 113.664 114.554 0.005 0.000 3.107 75 T HA 0.297 4.644 4.350 -0.005 0.000 0.249 75 T C 0.618 175.258 174.700 -0.099 0.000 1.096 75 T CA -0.588 61.483 62.100 -0.048 0.000 1.012 75 T CB -0.385 68.444 68.868 -0.064 0.000 0.977 75 T HN 0.252 nan 8.240 nan 0.000 0.527 76 R N 1.031 121.504 120.500 -0.045 0.000 2.537 76 R HA 0.350 4.687 4.340 -0.005 0.000 0.281 76 R C 1.484 177.580 176.300 -0.340 0.000 0.988 76 R CA 1.253 57.291 56.100 -0.104 0.000 1.077 76 R CB -0.065 30.288 30.300 0.089 0.000 0.932 76 R HN 0.569 nan 8.270 nan 0.000 0.409 77 G N 2.282 110.755 108.800 -0.544 0.000 2.194 77 G HA2 -0.300 3.657 3.960 -0.005 0.000 0.236 77 G HA3 -0.300 3.657 3.960 -0.005 0.000 0.236 77 G C 0.613 175.242 174.900 -0.452 0.000 0.987 77 G CA 0.260 44.858 45.100 -0.836 0.000 0.635 77 G HN 0.728 nan 8.290 nan 0.000 0.520 78 N N 1.254 119.750 118.700 -0.339 0.000 2.515 78 N HA 0.330 5.067 4.740 -0.005 0.000 0.185 78 N C 1.763 177.122 175.510 -0.252 0.000 1.109 78 N CA 1.454 54.353 53.050 -0.251 0.000 0.903 78 N CB -0.429 37.941 38.487 -0.194 0.000 0.969 78 N HN 1.780 nan 8.380 nan 0.000 0.450 79 G N -0.060 108.549 108.800 -0.318 0.000 2.157 79 G HA2 -0.276 3.681 3.960 -0.005 0.000 0.248 79 G HA3 -0.276 3.681 3.960 -0.005 0.000 0.248 79 G C -0.448 174.299 174.900 -0.254 0.000 0.979 79 G CA 0.187 45.151 45.100 -0.226 0.000 0.650 79 G HN 0.581 nan 8.290 nan 0.000 0.529 80 D N 0.607 120.770 120.400 -0.395 0.000 2.508 80 D HA 0.497 5.134 4.640 -0.005 0.000 0.224 80 D C -0.002 176.083 176.300 -0.359 0.000 1.171 80 D CA -0.217 53.615 54.000 -0.281 0.000 1.006 80 D CB -0.594 40.077 40.800 -0.214 0.000 1.073 80 D HN 0.130 nan 8.370 nan 0.000 0.513 81 F N 1.254 121.166 119.950 -0.065 0.000 2.507 81 F HA 0.475 4.999 4.527 -0.005 0.000 0.327 81 F C 0.339 176.129 175.800 -0.017 0.000 1.068 81 F CA -1.028 56.957 58.000 -0.025 0.000 0.965 81 F CB 1.726 40.720 39.000 -0.010 0.000 1.192 81 F HN -0.146 nan 8.300 nan 0.000 0.476 82 V N 2.632 122.681 119.914 0.226 0.000 2.495 82 V HA 0.422 4.539 4.120 -0.005 0.000 0.298 82 V C -0.122 176.023 176.094 0.085 0.000 1.031 82 V CA -1.089 61.278 62.300 0.111 0.000 0.871 82 V CB 1.663 33.529 31.823 0.071 0.000 0.988 82 V HN 0.658 nan 8.190 nan 0.000 0.432 83 R N 3.729 124.246 120.500 0.028 0.000 2.389 83 R HA 0.567 4.904 4.340 -0.005 0.000 0.295 83 R C -0.592 175.673 176.300 -0.058 0.000 1.075 83 R CA -0.115 55.968 56.100 -0.029 0.000 1.005 83 R CB 1.087 31.327 30.300 -0.100 0.000 0.987 83 R HN 0.681 nan 8.270 nan 0.000 0.452 84 V N 0.654 120.517 119.914 -0.086 0.000 3.126 84 V HA 0.604 4.721 4.120 -0.005 0.000 0.314 84 V C -0.142 175.879 176.094 -0.121 0.000 1.138 84 V CA -0.921 61.332 62.300 -0.079 0.000 1.034 84 V CB 1.681 33.477 31.823 -0.046 0.000 1.075 84 V HN 0.912 nan 8.190 nan 0.000 0.442 85 S N -0.133 115.528 115.700 -0.066 0.000 2.617 85 S HA 0.267 4.734 4.470 -0.005 0.000 0.269 85 S C 0.386 174.980 174.600 -0.010 0.000 1.292 85 S CA -0.086 58.097 58.200 -0.029 0.000 1.010 85 S CB 0.553 63.773 63.200 0.033 0.000 0.944 85 S HN 0.887 nan 8.310 nan 0.000 0.536 86 W N 0.670 121.977 121.300 0.010 0.000 2.338 86 W HA -0.079 4.578 4.660 -0.004 0.000 0.304 86 W C 1.860 178.379 176.519 0.000 0.000 1.212 86 W CA 1.175 58.520 57.345 0.000 0.000 1.264 86 W CB -0.203 29.256 29.460 -0.002 0.000 1.142 86 W HN 0.730 nan 8.180 nan 0.000 0.512 87 D N -0.450 120.101 120.400 0.251 0.000 2.117 87 D HA -0.200 4.437 4.640 -0.005 0.000 0.197 87 D C 1.939 178.308 176.300 0.116 0.000 0.987 87 D CA 1.453 55.547 54.000 0.155 0.000 0.829 87 D CB -0.560 40.304 40.800 0.108 0.000 0.961 87 D HN 0.345 nan 8.370 nan 0.000 0.460 88 Q N 0.365 120.217 119.800 0.087 0.000 2.050 88 Q HA -0.083 4.254 4.340 -0.005 0.000 0.202 88 Q C 2.267 178.307 176.000 0.068 0.000 0.980 88 Q CA 1.524 57.364 55.803 0.062 0.000 0.840 88 Q CB -0.138 28.622 28.738 0.035 0.000 0.898 88 Q HN 0.215 nan 8.270 nan 0.000 0.424 89 A N 0.779 123.629 122.820 0.050 0.000 1.883 89 A HA -0.183 4.134 4.320 -0.005 0.000 0.217 89 A C 2.074 179.717 177.584 0.099 0.000 1.186 89 A CA 1.270 53.327 52.037 0.033 0.000 0.624 89 A CB -0.760 18.186 19.000 -0.090 0.000 0.822 89 A HN 0.303 nan 8.150 nan 0.000 0.444 90 L N -0.655 120.664 121.223 0.160 0.000 2.056 90 L HA -0.177 4.160 4.340 -0.005 0.000 0.207 90 L C 2.129 179.070 176.870 0.118 0.000 1.078 90 L CA 1.343 56.278 54.840 0.158 0.000 0.749 90 L CB -0.646 41.514 42.059 0.168 0.000 0.901 90 L HN 0.297 nan 8.230 nan 0.000 0.433 91 D N 0.016 120.478 120.400 0.103 0.000 2.117 91 D HA -0.191 4.446 4.640 -0.005 0.000 0.197 91 D C 2.052 178.410 176.300 0.097 0.000 0.987 91 D CA 1.111 55.163 54.000 0.088 0.000 0.829 91 D CB -0.150 40.694 40.800 0.074 0.000 0.961 91 D HN 0.114 nan 8.370 nan 0.000 0.460 92 L N 0.480 121.766 121.223 0.105 0.000 2.046 92 L HA -0.123 4.215 4.340 -0.005 0.000 0.208 92 L C 2.224 179.180 176.870 0.144 0.000 1.077 92 L CA 1.259 56.177 54.840 0.129 0.000 0.747 92 L CB -0.426 41.721 42.059 0.146 0.000 0.896 92 L HN -0.121 nan 8.230 nan 0.000 0.432 93 V N 0.007 119.999 119.914 0.130 0.000 2.295 93 V HA -0.287 3.830 4.120 -0.005 0.000 0.246 93 V C 2.792 178.989 176.094 0.171 0.000 1.049 93 V CA 1.644 64.030 62.300 0.143 0.000 1.024 93 V CB -1.346 30.574 31.823 0.161 0.000 0.648 93 V HN 0.599 nan 8.190 nan 0.000 0.447 94 A N 0.022 122.933 122.820 0.151 0.000 1.908 94 A HA -0.156 4.161 4.320 -0.005 0.000 0.218 94 A C 2.411 180.068 177.584 0.122 0.000 1.181 94 A CA 2.228 54.345 52.037 0.133 0.000 0.627 94 A CB -0.819 18.241 19.000 0.100 0.000 0.818 94 A HN 0.589 nan 8.150 nan 0.000 0.445 95 A N -0.813 122.076 122.820 0.114 0.000 1.933 95 A HA -0.119 4.198 4.320 -0.005 0.000 0.218 95 A C 1.981 179.640 177.584 0.124 0.000 1.175 95 A CA 1.647 53.747 52.037 0.105 0.000 0.628 95 A CB -0.341 18.713 19.000 0.091 0.000 0.814 95 A HN 0.458 nan 8.150 nan 0.000 0.444 96 E N -0.195 120.099 120.200 0.156 0.000 2.072 96 E HA -0.076 4.271 4.350 -0.005 0.000 0.190 96 E C 2.241 178.949 176.600 0.181 0.000 0.982 96 E CA 1.123 57.633 56.400 0.184 0.000 0.803 96 E CB -0.511 29.322 29.700 0.222 0.000 0.755 96 E HN 0.364 nan 8.360 nan 0.000 0.453 97 V N 1.541 121.565 119.914 0.184 0.000 2.287 97 V HA -0.262 3.855 4.120 -0.005 0.000 0.248 97 V C 2.453 178.638 176.094 0.151 0.000 1.053 97 V CA 1.895 64.309 62.300 0.189 0.000 1.027 97 V CB -0.385 31.562 31.823 0.206 0.000 0.646 97 V HN 0.127 nan 8.190 nan 0.000 0.447 98 K N 0.369 120.844 120.400 0.125 0.000 2.057 98 K HA -0.161 4.156 4.320 -0.005 0.000 0.206 98 K C 2.286 178.940 176.600 0.090 0.000 1.050 98 K CA 1.496 57.841 56.287 0.097 0.000 0.935 98 K CB -0.394 32.153 32.500 0.078 0.000 0.715 98 K HN 0.348 nan 8.250 nan 0.000 0.439 99 R N -0.203 120.357 120.500 0.099 0.000 2.073 99 R HA -0.105 4.232 4.340 -0.005 0.000 0.234 99 R C 1.872 178.230 176.300 0.098 0.000 1.134 99 R CA 1.753 57.903 56.100 0.082 0.000 0.952 99 R CB -0.333 30.023 30.300 0.094 0.000 0.850 99 R HN 0.069 nan 8.270 nan 0.000 0.433 100 V N 1.668 121.686 119.914 0.174 0.000 2.343 100 V HA -0.199 3.918 4.120 -0.005 0.000 0.247 100 V C 2.313 178.539 176.094 0.220 0.000 1.051 100 V CA 1.869 64.335 62.300 0.276 0.000 1.036 100 V CB -0.455 31.540 31.823 0.286 0.000 0.654 100 V HN 0.388 nan 8.190 nan 0.000 0.451 101 E N -0.158 120.134 120.200 0.154 0.000 2.077 101 E HA -0.203 4.144 4.350 -0.005 0.000 0.193 101 E C 2.281 178.926 176.600 0.076 0.000 0.989 101 E CA 1.124 57.596 56.400 0.121 0.000 0.800 101 E CB -0.170 29.591 29.700 0.102 0.000 0.746 101 E HN 0.607 nan 8.360 nan 0.000 0.452 102 E N 0.108 120.335 120.200 0.045 0.000 2.072 102 E HA -0.066 4.281 4.350 -0.005 0.000 0.190 102 E C 2.149 178.717 176.600 -0.053 0.000 0.982 102 E CA 0.988 57.390 56.400 0.004 0.000 0.803 102 E CB -0.282 29.418 29.700 -0.001 0.000 0.755 102 E HN 0.214 nan 8.360 nan 0.000 0.453 103 T N 0.148 114.625 114.554 -0.129 0.000 2.770 103 T HA -0.087 4.260 4.350 -0.005 0.000 0.263 103 T C 1.265 175.717 174.700 -0.415 0.000 1.039 103 T CA 1.110 62.994 62.100 -0.360 0.000 1.142 103 T CB -0.194 68.276 68.868 -0.664 0.000 0.868 103 T HN 0.175 nan 8.240 nan 0.000 0.435 104 Y N 0.622 120.949 120.300 0.045 0.000 2.445 104 Y HA 0.484 5.031 4.550 -0.005 0.000 0.247 104 Y C 1.507 177.432 175.900 0.043 0.000 1.129 104 Y CA -0.271 57.855 58.100 0.044 0.000 1.251 104 Y CB 0.134 38.624 38.460 0.050 0.000 1.176 104 Y HN 0.381 nan 8.280 nan 0.000 0.522 105 G N 1.355 110.247 108.800 0.153 0.000 2.796 105 G HA2 -0.210 3.747 3.960 -0.005 0.000 0.571 105 G HA3 -0.210 3.747 3.960 -0.005 0.000 0.571 105 G C -1.920 173.052 174.900 0.120 0.000 1.370 105 G CA -0.440 44.724 45.100 0.108 0.000 0.856 105 G HN 0.028 nan 8.290 nan 0.000 0.538 106 P HA -0.001 nan 4.420 nan 0.000 0.220 106 P C 1.699 179.046 177.300 0.080 0.000 1.148 106 P CA 1.751 64.893 63.100 0.069 0.000 0.803 106 P CB -0.044 31.663 31.700 0.012 0.000 0.782 107 S N -0.346 115.403 115.700 0.081 0.000 2.507 107 S HA 0.001 4.469 4.470 -0.005 0.000 0.235 107 S C 2.014 176.674 174.600 0.099 0.000 0.988 107 S CA 1.170 59.422 58.200 0.088 0.000 0.944 107 S CB -0.924 62.325 63.200 0.080 0.000 0.762 107 S HN 0.333 nan 8.310 nan 0.000 0.526 108 G N 0.390 109.263 108.800 0.120 0.000 2.777 108 G HA2 0.170 4.127 3.960 -0.005 0.000 0.211 108 G HA3 0.170 4.127 3.960 -0.005 0.000 0.211 108 G C 0.213 175.175 174.900 0.102 0.000 1.149 108 G CA 0.083 45.232 45.100 0.082 0.000 0.785 108 G HN 0.348 nan 8.290 nan 0.000 0.536 109 V N 1.121 121.126 119.914 0.152 0.000 2.357 109 V HA 0.432 4.550 4.120 -0.005 0.000 0.284 109 V C -1.075 175.152 176.094 0.222 0.000 1.018 109 V CA -1.104 61.306 62.300 0.183 0.000 0.841 109 V CB 1.332 33.267 31.823 0.186 0.000 0.991 109 V HN 0.176 nan 8.190 nan 0.000 0.437 110 F N 3.986 123.978 119.950 0.070 0.000 2.404 110 F HA 0.695 5.219 4.527 -0.004 0.000 0.358 110 F C 0.941 176.748 175.800 0.013 0.000 1.120 110 F CA -0.500 57.526 58.000 0.042 0.000 1.144 110 F CB 1.406 40.402 39.000 -0.007 0.000 1.133 110 F HN 0.515 nan 8.300 nan 0.000 0.495 111 G N 3.518 111.920 108.800 -0.663 0.000 3.863 111 G HA2 0.191 4.148 3.960 -0.005 0.000 0.290 111 G HA3 0.191 4.148 3.960 -0.005 0.000 0.290 111 G C 1.178 175.556 174.900 -0.870 0.000 1.018 111 G CA 0.205 44.903 45.100 -0.670 0.000 0.824 111 G HN 0.965 nan 8.290 nan 0.000 0.507 112 G N 0.556 108.500 108.800 -1.428 0.000 2.418 112 G HA2 -0.096 3.861 3.960 -0.005 0.000 0.217 112 G HA3 -0.096 3.861 3.960 -0.005 0.000 0.217 112 G C 1.147 175.684 174.900 -0.604 0.000 1.158 112 G CA 1.274 45.853 45.100 -0.867 0.000 0.771 112 G HN 1.047 nan 8.290 nan 0.000 0.545 113 S N -1.167 113.927 115.700 -1.010 0.000 3.410 113 S HA -0.279 4.189 4.470 -0.005 0.000 0.369 113 S C 0.266 174.691 174.600 -0.292 0.000 0.961 113 S CA 0.242 57.731 58.200 -1.185 0.000 1.248 113 S CB -1.720 61.077 63.200 -0.672 0.000 0.914 113 S HN 0.597 nan 8.310 nan 0.000 0.497 114 Y N 0.952 121.300 120.300 0.080 0.000 2.712 114 Y HA 0.422 4.969 4.550 -0.005 0.000 0.333 114 Y C 0.877 177.106 175.900 0.549 0.000 1.225 114 Y CA 1.588 59.918 58.100 0.383 0.000 1.499 114 Y CB 0.271 39.031 38.460 0.501 0.000 1.288 114 Y HN 0.644 nan 8.280 nan 0.000 0.575 115 G N 4.025 112.679 108.800 -0.244 0.000 2.377 115 G HA2 0.009 3.966 3.960 -0.005 0.000 0.297 115 G HA3 0.009 3.966 3.960 -0.005 0.000 0.297 115 G C -1.130 173.785 174.900 0.026 0.000 1.547 115 G CA -0.942 44.184 45.100 0.042 0.000 0.833 115 G HN 0.692 nan 8.290 nan 0.000 0.583 116 W N 1.911 123.218 121.300 0.012 0.000 2.800 116 W HA 0.162 4.820 4.660 -0.004 0.000 0.249 116 W C 2.119 178.659 176.519 0.035 0.000 1.294 116 W CA 0.964 58.328 57.345 0.032 0.000 1.402 116 W CB 0.156 29.644 29.460 0.047 0.000 1.126 116 W HN 1.085 nan 8.180 nan 0.000 0.652 117 K N -0.783 119.769 120.400 0.252 0.000 2.262 117 K HA -0.324 3.994 4.320 -0.005 0.000 0.128 117 K C 0.053 176.827 176.600 0.290 0.000 1.418 117 K CA 1.357 57.765 56.287 0.201 0.000 0.647 117 K CB -1.837 30.700 32.500 0.061 0.000 0.516 117 K HN -0.084 nan 8.250 nan 0.000 0.989 118 S N 1.313 117.062 115.700 0.081 0.000 2.599 118 S HA 0.606 5.074 4.470 -0.005 0.000 0.287 118 S C -2.751 171.621 174.600 -0.380 0.000 1.105 118 S CA -1.092 57.024 58.200 -0.139 0.000 0.899 118 S CB 2.223 65.419 63.200 -0.007 0.000 1.100 118 S HN 0.529 nan 8.310 nan 0.000 0.482 119 P HA 0.551 nan 4.420 nan 0.000 0.273 119 P C -0.302 176.873 177.300 -0.209 0.000 1.250 119 P CA 0.033 62.873 63.100 -0.433 0.000 0.793 119 P CB 0.291 31.753 31.700 -0.397 0.000 1.011 120 G N 0.261 108.975 108.800 -0.143 0.000 2.634 120 G HA2 -0.017 3.940 3.960 -0.005 0.000 0.568 120 G HA3 -0.017 3.940 3.960 -0.005 0.000 0.568 120 G C 0.222 175.089 174.900 -0.055 0.000 1.495 120 G CA -0.701 44.376 45.100 -0.038 0.000 0.903 120 G HN 0.285 nan 8.290 nan 0.000 0.646 121 R N 0.986 121.464 120.500 -0.036 0.000 2.161 121 R HA 0.104 4.441 4.340 -0.005 0.000 0.213 121 R C 2.381 178.580 176.300 -0.169 0.000 1.055 121 R CA 1.112 57.112 56.100 -0.167 0.000 0.996 121 R CB -0.323 29.821 30.300 -0.260 0.000 0.901 121 R HN 0.567 nan 8.270 nan 0.000 0.456 122 L N 0.070 121.301 121.223 0.012 0.000 2.189 122 L HA 0.079 4.417 4.340 -0.005 0.000 0.199 122 L C 0.896 177.611 176.870 -0.259 0.000 1.074 122 L CA 1.480 56.262 54.840 -0.096 0.000 0.783 122 L CB -0.314 41.626 42.059 -0.198 0.000 0.955 122 L HN 0.089 nan 8.230 nan 0.000 0.460 123 H N 1.351 120.423 119.070 0.004 0.000 2.768 123 H HA 0.206 4.759 4.556 -0.004 0.000 0.219 123 H C -0.308 175.030 175.328 0.017 0.000 1.898 123 H CA -0.140 55.926 56.048 0.030 0.000 1.313 123 H CB -0.842 28.934 29.762 0.023 0.000 1.701 123 H HN 0.254 nan 8.280 nan 0.000 0.534 124 N N 1.963 120.695 118.700 0.053 0.000 2.767 124 N HA -0.019 4.718 4.740 -0.005 0.000 0.238 124 N C 1.409 176.950 175.510 0.051 0.000 1.083 124 N CA -0.383 52.670 53.050 0.007 0.000 0.964 124 N CB -0.081 38.364 38.487 -0.070 0.000 1.252 124 N HN 0.437 nan 8.380 nan 0.000 0.512 125 C N 1.110 120.480 119.300 0.117 0.000 2.413 125 C HA -0.120 4.337 4.460 -0.005 0.000 0.277 125 C C 2.345 177.386 174.990 0.086 0.000 1.265 125 C CA 1.405 60.538 59.018 0.193 0.000 1.752 125 C CB -1.576 26.310 27.740 0.242 0.000 1.998 125 C HN 0.687 nan 8.230 nan 0.000 0.489 126 T N -1.928 112.629 114.554 0.005 0.000 2.942 126 T HA -0.073 4.274 4.350 -0.005 0.000 0.265 126 T C 1.594 176.185 174.700 -0.183 0.000 1.062 126 T CA 2.006 64.048 62.100 -0.096 0.000 1.139 126 T CB -1.009 67.826 68.868 -0.056 0.000 0.883 126 T HN 0.567 nan 8.240 nan 0.000 0.468 127 T N 2.181 116.656 114.554 -0.133 0.000 2.857 127 T HA 0.221 4.568 4.350 -0.005 0.000 0.266 127 T C 1.855 176.413 174.700 -0.237 0.000 1.048 127 T CA 0.743 62.738 62.100 -0.175 0.000 1.139 127 T CB -0.424 68.362 68.868 -0.137 0.000 0.874 127 T HN 0.286 nan 8.240 nan 0.000 0.455 128 L N 0.615 121.727 121.223 -0.185 0.000 2.083 128 L HA -0.053 4.284 4.340 -0.005 0.000 0.209 128 L C 2.404 178.905 176.870 -0.615 0.000 1.083 128 L CA 0.720 55.449 54.840 -0.185 0.000 0.752 128 L CB -0.580 41.573 42.059 0.157 0.000 0.899 128 L HN 0.237 nan 8.230 nan 0.000 0.433 129 L N 0.107 120.812 121.223 -0.864 0.000 1.989 129 L HA -0.213 4.124 4.340 -0.005 0.000 0.211 129 L C 2.712 179.066 176.870 -0.860 0.000 1.071 129 L CA 1.794 55.863 54.840 -1.284 0.000 0.749 129 L CB -0.465 41.106 42.059 -0.814 0.000 0.890 129 L HN 0.078 nan 8.230 nan 0.000 0.431 130 R N -0.910 119.194 120.500 -0.659 0.000 2.115 130 R HA -0.137 4.200 4.340 -0.005 0.000 0.230 130 R C 2.444 178.527 176.300 -0.361 0.000 1.111 130 R CA 1.254 56.948 56.100 -0.676 0.000 0.976 130 R CB -0.383 29.555 30.300 -0.602 0.000 0.870 130 R HN 0.412 nan 8.270 nan 0.000 0.445 131 R N 0.647 120.977 120.500 -0.283 0.000 2.073 131 R HA -0.130 4.207 4.340 -0.005 0.000 0.234 131 R C 2.315 178.600 176.300 -0.026 0.000 1.134 131 R CA 1.499 57.509 56.100 -0.150 0.000 0.952 131 R CB -0.133 30.019 30.300 -0.247 0.000 0.850 131 R HN 0.133 nan 8.270 nan 0.000 0.433 132 M N 0.732 120.292 119.600 -0.068 0.000 2.099 132 M HA -0.134 4.344 4.480 -0.005 0.000 0.262 132 M C 1.953 178.197 176.300 -0.093 0.000 1.067 132 M CA 1.635 56.896 55.300 -0.064 0.000 1.124 132 M CB -0.383 32.040 32.600 -0.295 0.000 1.353 132 M HN 0.278 nan 8.290 nan 0.000 0.410 133 L N -0.454 120.647 121.223 -0.203 0.000 2.131 133 L HA -0.192 4.145 4.340 -0.005 0.000 0.210 133 L C 2.255 179.186 176.870 0.103 0.000 1.092 133 L CA 1.368 56.162 54.840 -0.076 0.000 0.759 133 L CB -1.026 40.917 42.059 -0.193 0.000 0.903 133 L HN 0.308 nan 8.230 nan 0.000 0.435 134 T N 0.383 115.004 114.554 0.112 0.000 2.708 134 T HA -0.170 4.177 4.350 -0.005 0.000 0.266 134 T C 1.944 176.693 174.700 0.082 0.000 1.037 134 T CA 1.275 63.462 62.100 0.145 0.000 1.146 134 T CB -0.239 68.697 68.868 0.114 0.000 0.865 134 T HN 0.215 nan 8.240 nan 0.000 0.435 135 L N 0.677 121.942 121.223 0.068 0.000 2.191 135 L HA -0.014 4.323 4.340 -0.005 0.000 0.212 135 L C 2.824 179.730 176.870 0.060 0.000 1.103 135 L CA 0.936 55.816 54.840 0.066 0.000 0.769 135 L CB -0.516 41.595 42.059 0.087 0.000 0.908 135 L HN 0.228 nan 8.230 nan 0.000 0.438 136 A N -0.806 122.051 122.820 0.062 0.000 2.167 136 A HA 0.245 4.562 4.320 -0.005 0.000 0.214 136 A C 1.812 179.438 177.584 0.070 0.000 1.151 136 A CA 1.144 53.222 52.037 0.067 0.000 0.735 136 A CB -0.204 18.840 19.000 0.074 0.000 0.802 136 A HN 0.516 nan 8.150 nan 0.000 0.467 137 G N -3.535 105.306 108.800 0.069 0.000 2.485 137 G HA2 0.441 4.398 3.960 -0.005 0.000 0.181 137 G HA3 0.441 4.398 3.960 -0.005 0.000 0.181 137 G C 0.944 175.872 174.900 0.048 0.000 0.999 137 G CA 0.383 45.516 45.100 0.055 0.000 0.721 137 G HN 2.228 nan 8.290 nan 0.000 0.486 138 G N -1.019 107.833 108.800 0.086 0.000 2.381 138 G HA2 0.636 4.593 3.960 -0.005 0.000 0.672 138 G HA3 0.636 4.593 3.960 -0.005 0.000 0.672 138 G C -0.748 174.226 174.900 0.124 0.000 1.324 138 G CA 0.067 45.182 45.100 0.025 0.000 0.975 138 G HN 2.006 nan 8.290 nan 0.000 0.593 139 Y N -3.509 116.775 120.300 -0.026 0.000 2.741 139 Y HA 0.704 5.251 4.550 -0.005 0.000 0.339 139 Y C -0.590 175.289 175.900 -0.035 0.000 1.226 139 Y CA -1.519 56.559 58.100 -0.037 0.000 1.072 139 Y CB 0.716 39.114 38.460 -0.103 0.000 1.331 139 Y HN 0.844 nan 8.280 nan 0.000 0.453 140 V N 2.839 122.832 119.914 0.131 0.000 2.465 140 V HA 0.365 4.482 4.120 -0.005 0.000 0.279 140 V C -0.343 175.802 176.094 0.084 0.000 1.045 140 V CA -0.325 62.046 62.300 0.118 0.000 0.938 140 V CB 0.971 32.964 31.823 0.284 0.000 0.986 140 V HN 0.786 nan 8.190 nan 0.000 0.467 141 N N 2.380 121.120 118.700 0.066 0.000 2.525 141 N HA 0.682 5.419 4.740 -0.005 0.000 0.288 141 N C -0.144 175.409 175.510 0.072 0.000 1.242 141 N CA -0.083 52.977 53.050 0.017 0.000 0.905 141 N CB 2.206 40.764 38.487 0.118 0.000 1.258 141 N HN 0.756 nan 8.380 nan 0.000 0.551 142 G N -1.159 107.675 108.800 0.056 0.000 2.432 142 G HA2 0.729 4.686 3.960 -0.005 0.000 0.331 142 G HA3 0.729 4.686 3.960 -0.005 0.000 0.331 142 G C -1.411 173.544 174.900 0.091 0.000 1.170 142 G CA -0.462 44.731 45.100 0.154 0.000 0.943 142 G HN 0.604 nan 8.290 nan 0.000 0.483 143 A N -0.001 122.841 122.820 0.037 0.000 2.374 143 A HA 0.989 5.306 4.320 -0.005 0.000 0.317 143 A C 0.715 178.319 177.584 0.033 0.000 1.094 143 A CA 0.459 52.502 52.037 0.010 0.000 0.765 143 A CB 1.069 20.012 19.000 -0.095 0.000 1.268 143 A HN 2.652 nan 8.150 nan 0.000 0.438 144 G N 1.352 110.218 108.800 0.110 0.000 2.593 144 G HA2 0.259 4.216 3.960 -0.005 0.000 0.237 144 G HA3 0.259 4.216 3.960 -0.005 0.000 0.237 144 G C -0.548 174.492 174.900 0.234 0.000 1.312 144 G CA 0.852 46.047 45.100 0.158 0.000 0.896 144 G HN 2.204 nan 8.290 nan 0.000 0.574 145 D N -3.631 116.847 120.400 0.131 0.000 2.692 145 D HA 0.529 5.166 4.640 -0.005 0.000 0.303 145 D C 0.096 176.316 176.300 -0.133 0.000 1.278 145 D CA -0.714 53.337 54.000 0.085 0.000 0.852 145 D CB 0.072 41.027 40.800 0.257 0.000 1.375 145 D HN 0.363 nan 8.370 nan 0.000 0.453 146 Y N -0.289 119.875 120.300 -0.226 0.000 2.511 146 Y HA 0.159 4.706 4.550 -0.005 0.000 0.279 146 Y C 2.062 177.998 175.900 0.060 0.000 1.157 146 Y CA 0.666 58.694 58.100 -0.121 0.000 1.300 146 Y CB 0.328 38.668 38.460 -0.200 0.000 1.052 146 Y HN 0.316 nan 8.280 nan 0.000 0.529 147 S N -1.206 114.623 115.700 0.215 0.000 2.387 147 S HA -0.067 4.400 4.470 -0.005 0.000 0.221 147 S C 1.457 176.034 174.600 -0.038 0.000 1.041 147 S CA 1.430 59.752 58.200 0.203 0.000 0.959 147 S CB -0.307 62.997 63.200 0.173 0.000 0.843 147 S HN 0.472 nan 8.310 nan 0.000 0.488 148 T N -1.011 113.418 114.554 -0.207 0.000 3.487 148 T HA 0.445 4.792 4.350 -0.005 0.000 0.287 148 T C 1.331 175.928 174.700 -0.172 0.000 1.004 148 T CA 0.134 61.999 62.100 -0.391 0.000 0.977 148 T CB 0.478 68.823 68.868 -0.871 0.000 1.180 148 T HN 0.209 nan 8.240 nan 0.000 0.490 149 G N 1.599 110.359 108.800 -0.067 0.000 2.469 149 G HA2 -0.048 3.909 3.960 -0.005 0.000 0.220 149 G HA3 -0.048 3.909 3.960 -0.005 0.000 0.220 149 G C 1.514 176.411 174.900 -0.005 0.000 1.136 149 G CA 0.873 45.955 45.100 -0.031 0.000 0.759 149 G HN 0.762 nan 8.290 nan 0.000 0.562 150 A N 0.914 123.732 122.820 -0.003 0.000 1.861 150 A HA 0.503 4.820 4.320 -0.005 0.000 0.212 150 A C 2.824 180.398 177.584 -0.016 0.000 1.199 150 A CA 1.835 53.882 52.037 0.017 0.000 0.613 150 A CB -0.879 18.159 19.000 0.062 0.000 0.846 150 A HN 0.782 nan 8.150 nan 0.000 0.446 151 A N 0.597 123.390 122.820 -0.045 0.000 1.940 151 A HA -0.255 4.063 4.320 -0.005 0.000 0.219 151 A C 2.200 179.683 177.584 -0.169 0.000 1.176 151 A CA 1.929 53.903 52.037 -0.104 0.000 0.631 151 A CB -0.798 18.052 19.000 -0.250 0.000 0.814 151 A HN 0.785 nan 8.150 nan 0.000 0.446 152 Q N -0.680 119.001 119.800 -0.198 0.000 2.364 152 Q HA -0.032 4.305 4.340 -0.005 0.000 0.207 152 Q C 1.353 177.290 176.000 -0.104 0.000 0.970 152 Q CA 1.711 57.407 55.803 -0.178 0.000 0.888 152 Q CB -0.279 28.369 28.738 -0.149 0.000 0.951 152 Q HN 0.373 nan 8.270 nan 0.000 0.469 153 V N 0.065 119.934 119.914 -0.075 0.000 2.795 153 V HA -0.067 4.051 4.120 -0.005 0.000 0.243 153 V C 1.904 177.957 176.094 -0.068 0.000 1.069 153 V CA 0.573 62.830 62.300 -0.071 0.000 1.089 153 V CB 0.038 31.823 31.823 -0.062 0.000 0.756 153 V HN 0.299 nan 8.190 nan 0.000 0.471 154 I N -0.283 120.234 120.570 -0.089 0.000 2.500 154 I HA -0.074 4.093 4.170 -0.005 0.000 0.252 154 I C 2.210 178.195 176.117 -0.220 0.000 1.142 154 I CA 1.524 62.728 61.300 -0.160 0.000 1.451 154 I CB -0.210 37.654 38.000 -0.226 0.000 1.093 154 I HN 0.097 nan 8.210 nan 0.000 0.430 155 M N 0.761 120.256 119.600 -0.174 0.000 2.108 155 M HA -0.112 4.365 4.480 -0.005 0.000 0.261 155 M C -0.201 176.003 176.300 -0.160 0.000 1.066 155 M CA 1.937 57.144 55.300 -0.153 0.000 1.107 155 M CB -2.480 30.061 32.600 -0.098 0.000 1.356 155 M HN 0.119 nan 8.290 nan 0.000 0.406 156 P HA -0.135 nan 4.420 nan 0.000 0.219 156 P C 1.255 178.373 177.300 -0.305 0.000 1.146 156 P CA 1.253 64.202 63.100 -0.250 0.000 0.808 156 P CB -0.307 31.204 31.700 -0.314 0.000 0.779 157 H N -1.889 117.048 119.070 -0.223 0.000 2.535 157 H HA 0.108 4.661 4.556 -0.005 0.000 0.273 157 H C 1.619 176.794 175.328 -0.255 0.000 0.983 157 H CA 0.830 56.730 56.048 -0.247 0.000 1.238 157 H CB 0.036 29.594 29.762 -0.340 0.000 1.412 157 H HN 0.062 nan 8.280 nan 0.000 0.562 158 V N 0.270 120.075 119.914 -0.182 0.000 2.690 158 V HA -0.061 4.056 4.120 -0.005 0.000 0.240 158 V C 2.184 178.244 176.094 -0.056 0.000 1.078 158 V CA 1.049 63.251 62.300 -0.163 0.000 1.102 158 V CB 0.267 31.906 31.823 -0.307 0.000 0.800 158 V HN 0.305 nan 8.190 nan 0.000 0.479 159 V N -2.403 117.484 119.914 -0.045 0.000 3.477 159 V HA 0.729 4.846 4.120 -0.005 0.000 0.297 159 V C 1.342 177.432 176.094 -0.006 0.000 1.433 159 V CA 0.811 63.117 62.300 0.011 0.000 1.052 159 V CB -0.069 31.840 31.823 0.142 0.000 0.895 159 V HN 0.688 nan 8.190 nan 0.000 0.438 160 G N 1.159 109.927 108.800 -0.053 0.000 2.258 160 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.233 160 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.233 160 G C 0.420 175.273 174.900 -0.078 0.000 1.006 160 G CA 0.801 45.859 45.100 -0.071 0.000 0.620 160 G HN 1.318 nan 8.290 nan 0.000 0.511 161 T N -2.326 112.195 114.554 -0.055 0.000 2.831 161 T HA 0.717 5.064 4.350 -0.005 0.000 0.287 161 T C 1.117 175.778 174.700 -0.065 0.000 1.070 161 T CA -0.063 62.001 62.100 -0.061 0.000 1.010 161 T CB 1.627 70.469 68.868 -0.044 0.000 1.264 161 T HN 0.413 nan 8.240 nan 0.000 0.532 162 L N 0.929 122.110 121.223 -0.070 0.000 2.012 162 L HA 0.012 4.350 4.340 -0.005 0.000 0.210 162 L C 2.214 179.026 176.870 -0.096 0.000 1.073 162 L CA 2.841 57.624 54.840 -0.094 0.000 0.748 162 L CB -1.211 40.804 42.059 -0.072 0.000 0.891 162 L HN 1.163 nan 8.230 nan 0.000 0.431 163 E N -2.073 118.105 120.200 -0.037 0.000 4.934 163 E HA -0.295 4.052 4.350 -0.005 0.000 0.166 163 E C 1.509 178.106 176.600 -0.005 0.000 1.091 163 E CA 1.879 58.291 56.400 0.020 0.000 2.341 163 E CB -1.630 28.132 29.700 0.104 0.000 1.744 163 E HN 0.287 nan 8.360 nan 0.000 0.492 164 V N -1.299 118.517 119.914 -0.164 0.000 2.667 164 V HA 0.009 4.126 4.120 -0.005 0.000 0.252 164 V C 1.508 177.559 176.094 -0.071 0.000 1.065 164 V CA 2.004 64.173 62.300 -0.219 0.000 1.083 164 V CB -0.694 30.678 31.823 -0.753 0.000 0.692 164 V HN 0.328 nan 8.190 nan 0.000 0.468 165 Y N 1.097 121.502 120.300 0.175 0.000 2.781 165 Y HA 0.614 5.161 4.550 -0.005 0.000 0.326 165 Y C 0.483 176.583 175.900 0.332 0.000 1.019 165 Y CA -1.492 56.792 58.100 0.307 0.000 1.372 165 Y CB -0.373 38.183 38.460 0.159 0.000 1.260 165 Y HN 0.438 nan 8.280 nan 0.000 0.546 166 E N 0.043 120.456 120.200 0.355 0.000 2.299 166 E HA 0.326 4.673 4.350 -0.005 0.000 0.265 166 E C -0.879 175.742 176.600 0.036 0.000 0.911 166 E CA -1.455 55.073 56.400 0.212 0.000 0.789 166 E CB 1.721 31.458 29.700 0.062 0.000 1.246 166 E HN -0.007 nan 8.360 nan 0.000 0.427 167 Q N 2.078 121.866 119.800 -0.020 0.000 2.330 167 Q HA -0.028 4.309 4.340 -0.005 0.000 0.279 167 Q C -0.742 175.172 176.000 -0.144 0.000 1.024 167 Q CA 0.481 56.148 55.803 -0.225 0.000 0.900 167 Q CB 0.561 29.152 28.738 -0.245 0.000 1.221 167 Q HN 0.239 nan 8.270 nan 0.000 0.396 168 Q N 1.959 121.581 119.800 -0.297 0.000 2.212 168 Q HA 0.305 4.642 4.340 -0.005 0.000 0.238 168 Q C -0.376 175.619 176.000 -0.009 0.000 0.955 168 Q CA -0.487 55.130 55.803 -0.310 0.000 0.906 168 Q CB 0.696 28.880 28.738 -0.924 0.000 1.215 168 Q HN 0.700 nan 8.270 nan 0.000 0.478 169 T N 1.647 116.166 114.554 -0.059 0.000 2.866 169 T HA 0.147 4.494 4.350 -0.005 0.000 0.293 169 T C 0.227 174.958 174.700 0.052 0.000 1.005 169 T CA 0.059 62.142 62.100 -0.029 0.000 1.162 169 T CB 0.082 68.905 68.868 -0.074 0.000 0.968 169 T HN 0.591 nan 8.240 nan 0.000 0.530 170 A N 3.360 126.251 122.820 0.118 0.000 2.520 170 A HA 0.112 4.429 4.320 -0.005 0.000 0.235 170 A C 1.035 178.697 177.584 0.130 0.000 1.065 170 A CA -0.212 51.906 52.037 0.135 0.000 0.764 170 A CB 0.003 19.118 19.000 0.191 0.000 1.002 170 A HN 1.104 nan 8.150 nan 0.000 0.502 171 W N 1.478 122.889 121.300 0.185 0.000 2.318 171 W HA -0.143 4.514 4.660 -0.005 0.000 0.313 171 W C -0.532 176.044 176.519 0.097 0.000 1.221 171 W CA 2.096 59.525 57.345 0.139 0.000 1.266 171 W CB -0.973 28.571 29.460 0.140 0.000 1.150 171 W HN 0.617 nan 8.180 nan 0.000 0.496 172 P HA -0.156 nan 4.420 nan 0.000 0.218 172 P C 1.490 178.881 177.300 0.150 0.000 1.148 172 P CA 1.559 64.785 63.100 0.210 0.000 0.822 172 P CB -0.307 31.496 31.700 0.172 0.000 0.784 173 V N -0.094 119.895 119.914 0.126 0.000 2.427 173 V HA -0.194 3.924 4.120 -0.005 0.000 0.248 173 V C 2.636 178.765 176.094 0.057 0.000 1.051 173 V CA 1.410 63.753 62.300 0.072 0.000 1.048 173 V CB -1.155 30.691 31.823 0.039 0.000 0.666 173 V HN 0.044 nan 8.190 nan 0.000 0.456 174 L N 0.199 121.464 121.223 0.071 0.000 2.027 174 L HA -0.137 4.200 4.340 -0.005 0.000 0.206 174 L C 2.801 179.721 176.870 0.084 0.000 1.074 174 L CA 1.624 56.490 54.840 0.043 0.000 0.745 174 L CB -0.960 41.109 42.059 0.018 0.000 0.898 174 L HN 0.364 nan 8.230 nan 0.000 0.433 175 A N -0.135 122.771 122.820 0.143 0.000 1.940 175 A HA -0.185 4.132 4.320 -0.005 0.000 0.219 175 A C 2.124 179.758 177.584 0.084 0.000 1.176 175 A CA 1.552 53.665 52.037 0.128 0.000 0.631 175 A CB -0.291 18.798 19.000 0.148 0.000 0.814 175 A HN 0.394 nan 8.150 nan 0.000 0.446 176 E N -0.418 119.826 120.200 0.073 0.000 2.371 176 E HA 0.002 4.349 4.350 -0.005 0.000 0.194 176 E C 0.777 177.398 176.600 0.035 0.000 1.012 176 E CA 0.494 56.926 56.400 0.053 0.000 0.860 176 E CB -0.092 29.639 29.700 0.052 0.000 0.811 176 E HN 0.697 nan 8.360 nan 0.000 0.502 177 N N -0.072 118.644 118.700 0.027 0.000 2.325 177 N HA 0.019 4.756 4.740 -0.005 0.000 0.220 177 N C 0.042 175.550 175.510 -0.004 0.000 1.176 177 N CA 0.182 53.237 53.050 0.009 0.000 0.861 177 N CB 0.866 39.353 38.487 -0.000 0.000 1.230 177 N HN -0.077 nan 8.380 nan 0.000 0.479 178 T N 1.480 116.028 114.554 -0.010 0.000 2.901 178 T HA 0.148 4.495 4.350 -0.005 0.000 0.301 178 T C 1.099 175.785 174.700 -0.024 0.000 1.012 178 T CA 0.346 62.425 62.100 -0.035 0.000 1.135 178 T CB 1.646 70.475 68.868 -0.065 0.000 0.936 178 T HN 0.122 nan 8.240 nan 0.000 0.539 179 E N 1.199 121.382 120.200 -0.028 0.000 2.290 179 E HA 0.153 4.500 4.350 -0.005 0.000 0.197 179 E C -0.119 176.467 176.600 -0.024 0.000 0.948 179 E CA 0.190 56.582 56.400 -0.013 0.000 0.895 179 E CB 0.687 30.387 29.700 0.001 0.000 0.865 179 E HN 0.267 nan 8.360 nan 0.000 0.486 180 V N 2.211 122.097 119.914 -0.047 0.000 2.483 180 V HA 0.313 4.430 4.120 -0.005 0.000 0.297 180 V C -0.923 175.076 176.094 -0.159 0.000 1.027 180 V CA -0.672 61.591 62.300 -0.062 0.000 0.855 180 V CB 1.589 33.417 31.823 0.010 0.000 0.995 180 V HN 0.117 nan 8.190 nan 0.000 0.424 181 M N 6.774 126.244 119.600 -0.217 0.000 2.114 181 M HA 0.635 5.112 4.480 -0.005 0.000 0.332 181 M C -1.208 174.821 176.300 -0.451 0.000 1.014 181 M CA -0.107 54.967 55.300 -0.378 0.000 0.956 181 M CB 1.444 33.788 32.600 -0.427 0.000 1.551 181 M HN 0.377 nan 8.290 nan 0.000 0.427 182 V N 6.303 125.936 119.914 -0.468 0.000 2.370 182 V HA 0.455 4.572 4.120 -0.005 0.000 0.283 182 V C -0.916 174.957 176.094 -0.369 0.000 1.023 182 V CA -0.431 61.670 62.300 -0.332 0.000 0.857 182 V CB 0.965 32.643 31.823 -0.241 0.000 0.985 182 V HN 0.662 nan 8.190 nan 0.000 0.443 183 F N 4.275 124.246 119.950 0.035 0.000 2.335 183 F HA 0.353 4.877 4.527 -0.005 0.000 0.365 183 F C -0.047 175.849 175.800 0.159 0.000 1.122 183 F CA -0.540 57.523 58.000 0.104 0.000 1.151 183 F CB 0.857 39.913 39.000 0.092 0.000 1.282 183 F HN 0.532 nan 8.300 nan 0.000 0.513 184 W N 4.814 126.223 121.300 0.181 0.000 2.283 184 W HA 0.504 5.161 4.660 -0.005 0.000 0.317 184 W C 0.218 176.816 176.519 0.131 0.000 1.042 184 W CA -1.241 56.190 57.345 0.143 0.000 1.348 184 W CB 1.055 30.578 29.460 0.104 0.000 1.216 184 W HN 0.743 nan 8.180 nan 0.000 0.404 185 A N 4.085 127.175 122.820 0.450 0.000 2.869 185 A HA 0.087 4.404 4.320 -0.005 0.000 0.280 185 A C -0.100 177.580 177.584 0.160 0.000 1.458 185 A CA 1.366 53.587 52.037 0.308 0.000 0.776 185 A CB -1.788 17.413 19.000 0.335 0.000 1.028 185 A HN 1.495 nan 8.150 nan 0.000 0.547 186 A N -0.496 122.417 122.820 0.154 0.000 2.422 186 A HA 0.680 4.997 4.320 -0.005 0.000 0.302 186 A C -0.600 177.010 177.584 0.045 0.000 1.041 186 A CA 0.286 52.341 52.037 0.030 0.000 0.708 186 A CB 1.235 20.296 19.000 0.101 0.000 1.257 186 A HN 0.898 nan 8.150 nan 0.000 0.414 187 D N 3.297 123.695 120.400 -0.003 0.000 2.412 187 D HA 0.348 4.985 4.640 -0.005 0.000 0.276 187 D C -1.770 174.495 176.300 -0.059 0.000 1.196 187 D CA -1.757 52.231 54.000 -0.021 0.000 0.905 187 D CB 1.350 42.186 40.800 0.060 0.000 1.081 187 D HN 0.161 nan 8.370 nan 0.000 0.502 188 P HA -0.092 nan 4.420 nan 0.000 0.218 188 P C 1.839 179.013 177.300 -0.210 0.000 1.149 188 P CA 0.563 63.584 63.100 -0.130 0.000 0.817 188 P CB 0.726 32.323 31.700 -0.172 0.000 0.785 189 I N 0.102 120.557 120.570 -0.193 0.000 2.226 189 I HA -0.224 3.943 4.170 -0.005 0.000 0.245 189 I C 2.761 178.839 176.117 -0.064 0.000 1.100 189 I CA 1.528 62.758 61.300 -0.118 0.000 1.374 189 I CB -0.461 37.514 38.000 -0.041 0.000 1.057 189 I HN -0.008 nan 8.210 nan 0.000 0.413 190 K N 0.888 121.228 120.400 -0.101 0.000 2.001 190 K HA -0.170 4.147 4.320 -0.005 0.000 0.208 190 K C 1.999 178.420 176.600 -0.297 0.000 1.048 190 K CA 2.083 58.145 56.287 -0.376 0.000 0.932 190 K CB -0.109 32.299 32.500 -0.154 0.000 0.715 190 K HN 0.365 nan 8.250 nan 0.000 0.437 191 T N -1.937 112.541 114.554 -0.128 0.000 3.113 191 T HA 0.096 4.443 4.350 -0.005 0.000 0.256 191 T C 1.455 176.140 174.700 -0.025 0.000 1.131 191 T CA 0.584 62.644 62.100 -0.066 0.000 1.074 191 T CB 0.243 69.123 68.868 0.020 0.000 0.944 191 T HN 0.007 nan 8.240 nan 0.000 0.516 192 S N 1.416 117.101 115.700 -0.025 0.000 2.593 192 S HA 0.100 4.567 4.470 -0.005 0.000 0.217 192 S C 1.823 176.575 174.600 0.253 0.000 0.966 192 S CA -0.160 58.060 58.200 0.033 0.000 0.914 192 S CB -0.167 62.905 63.200 -0.214 0.000 0.776 192 S HN 0.599 nan 8.310 nan 0.000 0.523 193 Q N 0.549 120.464 119.800 0.192 0.000 2.224 193 Q HA -0.009 4.328 4.340 -0.005 0.000 0.203 193 Q C 0.492 176.685 176.000 0.321 0.000 0.970 193 Q CA 0.750 56.706 55.803 0.256 0.000 0.865 193 Q CB -0.235 28.550 28.738 0.079 0.000 0.922 193 Q HN 0.692 nan 8.270 nan 0.000 0.445 194 I N -4.346 116.281 120.570 0.095 0.000 3.067 194 I HA 0.780 4.947 4.170 -0.005 0.000 0.312 194 I C -0.091 176.045 176.117 0.030 0.000 1.073 194 I CA -1.068 60.214 61.300 -0.029 0.000 1.016 194 I CB 2.018 39.820 38.000 -0.331 0.000 1.227 194 I HN -0.174 nan 8.210 nan 0.000 0.456 195 G N 0.762 109.624 108.800 0.104 0.000 2.619 195 G HA2 0.254 4.211 3.960 -0.005 0.000 0.296 195 G HA3 0.254 4.211 3.960 -0.005 0.000 0.296 195 G C -0.680 174.489 174.900 0.447 0.000 1.334 195 G CA -0.647 44.557 45.100 0.173 0.000 0.934 195 G HN 0.964 nan 8.290 nan 0.000 0.476 196 W N 1.395 122.786 121.300 0.152 0.000 2.378 196 W HA -0.012 4.645 4.660 -0.005 0.000 0.313 196 W C 0.939 177.529 176.519 0.119 0.000 1.197 196 W CA 2.052 59.382 57.345 -0.024 0.000 1.304 196 W CB -0.062 29.295 29.460 -0.172 0.000 1.148 196 W HN 0.443 nan 8.180 nan 0.000 0.494 197 V N 0.370 120.373 119.914 0.149 0.000 3.561 197 V HA 0.260 4.378 4.120 -0.005 0.000 0.290 197 V C 0.741 176.856 176.094 0.035 0.000 1.052 197 V CA -1.269 61.036 62.300 0.009 0.000 0.973 197 V CB -0.016 31.832 31.823 0.042 0.000 1.243 197 V HN -0.048 nan 8.190 nan 0.000 0.432 198 I N 2.438 123.008 120.570 -0.000 0.000 2.683 198 I HA 0.247 4.414 4.170 -0.005 0.000 0.286 198 I C -2.090 174.038 176.117 0.018 0.000 1.175 198 I CA -1.945 59.361 61.300 0.010 0.000 1.429 198 I CB -0.363 37.617 38.000 -0.033 0.000 1.371 198 I HN 0.583 nan 8.210 nan 0.000 0.569 199 P HA 0.148 nan 4.420 nan 0.000 0.282 199 P C 0.154 177.382 177.300 -0.119 0.000 1.249 199 P CA -0.227 62.825 63.100 -0.080 0.000 0.806 199 P CB 1.008 32.594 31.700 -0.190 0.000 0.984 200 E N 1.764 121.960 120.200 -0.007 0.000 2.481 200 E HA -0.075 4.272 4.350 -0.005 0.000 0.198 200 E C -0.177 176.516 176.600 0.155 0.000 1.027 200 E CA -0.060 56.406 56.400 0.109 0.000 0.900 200 E CB -0.968 28.846 29.700 0.190 0.000 0.993 200 E HN 0.606 nan 8.360 nan 0.000 0.482 201 H N -0.578 118.643 119.070 0.250 0.000 2.791 201 H HA -0.138 4.416 4.556 -0.005 0.000 0.302 201 H C 1.189 176.677 175.328 0.266 0.000 1.198 201 H CA -0.040 56.195 56.048 0.312 0.000 1.145 201 H CB -1.560 28.401 29.762 0.331 0.000 1.385 201 H HN 0.440 nan 8.280 nan 0.000 0.409 202 G N 0.023 108.985 108.800 0.269 0.000 2.471 202 G HA2 -0.059 3.898 3.960 -0.005 0.000 0.219 202 G HA3 -0.059 3.898 3.960 -0.005 0.000 0.219 202 G C 1.720 176.628 174.900 0.013 0.000 1.125 202 G CA 0.633 45.845 45.100 0.186 0.000 0.775 202 G HN 0.606 nan 8.290 nan 0.000 0.548 203 A N 0.202 122.991 122.820 -0.052 0.000 1.972 203 A HA 0.060 4.377 4.320 -0.005 0.000 0.219 203 A C 2.086 179.241 177.584 -0.715 0.000 1.169 203 A CA 1.210 52.989 52.037 -0.431 0.000 0.635 203 A CB -0.497 18.330 19.000 -0.288 0.000 0.810 203 A HN 0.412 nan 8.150 nan 0.000 0.446 204 Y N 0.225 120.340 120.300 -0.307 0.000 2.145 204 Y HA -0.099 4.448 4.550 -0.005 0.000 0.286 204 Y C -0.103 175.616 175.900 -0.301 0.000 1.145 204 Y CA 1.944 59.826 58.100 -0.363 0.000 1.148 204 Y CB -1.701 36.544 38.460 -0.358 0.000 0.981 204 Y HN 0.300 nan 8.280 nan 0.000 0.507 205 P HA -0.111 nan 4.420 nan 0.000 0.217 205 P C 1.812 178.998 177.300 -0.190 0.000 1.150 205 P CA 2.113 65.167 63.100 -0.077 0.000 0.832 205 P CB -0.287 31.402 31.700 -0.018 0.000 0.787 206 G N -0.034 108.471 108.800 -0.491 0.000 2.418 206 G HA2 -0.217 3.741 3.960 -0.005 0.000 0.217 206 G HA3 -0.217 3.741 3.960 -0.005 0.000 0.217 206 G C 1.504 176.071 174.900 -0.556 0.000 1.158 206 G CA 0.591 45.251 45.100 -0.733 0.000 0.771 206 G HN 0.223 nan 8.290 nan 0.000 0.545 207 L N 0.024 120.887 121.223 -0.601 0.000 2.056 207 L HA -0.019 4.318 4.340 -0.005 0.000 0.207 207 L C 2.863 179.853 176.870 0.200 0.000 1.078 207 L CA 1.191 55.986 54.840 -0.076 0.000 0.749 207 L CB -0.460 41.485 42.059 -0.189 0.000 0.901 207 L HN 0.264 nan 8.230 nan 0.000 0.433 208 E N 0.379 120.620 120.200 0.068 0.000 2.110 208 E HA -0.222 4.125 4.350 -0.005 0.000 0.193 208 E C 2.311 179.023 176.600 0.186 0.000 0.988 208 E CA 1.177 57.711 56.400 0.222 0.000 0.804 208 E CB -0.203 29.577 29.700 0.133 0.000 0.745 208 E HN 0.503 nan 8.360 nan 0.000 0.458 209 A N 1.102 123.994 122.820 0.121 0.000 1.933 209 A HA -0.139 4.178 4.320 -0.005 0.000 0.218 209 A C 2.166 179.854 177.584 0.173 0.000 1.175 209 A CA 0.934 53.047 52.037 0.127 0.000 0.628 209 A CB -0.518 18.547 19.000 0.110 0.000 0.814 209 A HN 0.128 nan 8.150 nan 0.000 0.444 210 L N -0.786 120.583 121.223 0.243 0.000 2.056 210 L HA -0.176 4.161 4.340 -0.005 0.000 0.207 210 L C 2.635 179.679 176.870 0.290 0.000 1.078 210 L CA 1.866 56.867 54.840 0.270 0.000 0.749 210 L CB -0.504 41.755 42.059 0.333 0.000 0.901 210 L HN 0.442 nan 8.230 nan 0.000 0.433 211 K N 0.532 121.166 120.400 0.391 0.000 2.057 211 K HA -0.154 4.163 4.320 -0.005 0.000 0.206 211 K C 2.129 178.799 176.600 0.116 0.000 1.050 211 K CA 1.290 57.728 56.287 0.252 0.000 0.935 211 K CB -0.034 32.466 32.500 -0.000 0.000 0.715 211 K HN 0.258 nan 8.250 nan 0.000 0.439 212 A N 1.186 124.073 122.820 0.111 0.000 2.015 212 A HA -0.094 4.223 4.320 -0.005 0.000 0.219 212 A C 1.775 179.400 177.584 0.069 0.000 1.163 212 A CA 1.161 53.242 52.037 0.072 0.000 0.646 212 A CB -0.166 18.878 19.000 0.072 0.000 0.806 212 A HN 0.133 nan 8.150 nan 0.000 0.448 213 K N -1.237 119.215 120.400 0.086 0.000 2.432 213 K HA 0.048 4.365 4.320 -0.005 0.000 0.196 213 K C 1.194 177.831 176.600 0.061 0.000 1.038 213 K CA 0.780 57.109 56.287 0.071 0.000 0.986 213 K CB -0.337 32.210 32.500 0.078 0.000 0.782 213 K HN 0.771 nan 8.250 nan 0.000 0.485 214 G N 2.013 110.854 108.800 0.068 0.000 2.147 214 G HA2 -0.244 3.713 3.960 -0.005 0.000 0.244 214 G HA3 -0.244 3.713 3.960 -0.005 0.000 0.244 214 G C 0.180 175.108 174.900 0.048 0.000 1.005 214 G CA 0.583 45.716 45.100 0.055 0.000 0.713 214 G HN 0.243 nan 8.290 nan 0.000 0.515 215 T N 0.262 114.847 114.554 0.051 0.000 2.940 215 T HA 0.308 4.655 4.350 -0.005 0.000 0.309 215 T C 0.786 175.485 174.700 -0.003 0.000 1.056 215 T CA 0.739 62.850 62.100 0.019 0.000 1.137 215 T CB 1.028 69.902 68.868 0.010 0.000 0.976 215 T HN 0.588 nan 8.240 nan 0.000 0.547 216 K N 2.793 123.185 120.400 -0.013 0.000 2.339 216 K HA 0.336 4.653 4.320 -0.005 0.000 0.286 216 K C -1.031 175.529 176.600 -0.067 0.000 1.050 216 K CA -0.402 55.876 56.287 -0.015 0.000 0.956 216 K CB 0.312 32.818 32.500 0.009 0.000 0.990 216 K HN 0.293 nan 8.250 nan 0.000 0.475 217 V N 6.622 126.488 119.914 -0.080 0.000 2.459 217 V HA 0.441 4.558 4.120 -0.005 0.000 0.295 217 V C -0.248 175.828 176.094 -0.030 0.000 1.029 217 V CA -0.802 61.407 62.300 -0.151 0.000 0.874 217 V CB 1.382 32.988 31.823 -0.363 0.000 0.985 217 V HN 0.704 nan 8.190 nan 0.000 0.438 218 I N 4.468 125.026 120.570 -0.020 0.000 2.465 218 I HA 0.541 4.708 4.170 -0.005 0.000 0.291 218 I C -0.705 175.457 176.117 0.076 0.000 1.014 218 I CA -0.745 60.582 61.300 0.045 0.000 1.093 218 I CB 2.233 40.275 38.000 0.071 0.000 1.267 218 I HN 0.266 nan 8.210 nan 0.000 0.431 219 V N 7.152 127.139 119.914 0.121 0.000 2.448 219 V HA 0.452 4.569 4.120 -0.005 0.000 0.295 219 V C -0.110 176.056 176.094 0.120 0.000 1.025 219 V CA -0.457 61.938 62.300 0.159 0.000 0.859 219 V CB 1.838 33.758 31.823 0.161 0.000 0.988 219 V HN 0.461 nan 8.190 nan 0.000 0.431 220 I N 4.775 125.338 120.570 -0.011 0.000 2.371 220 I HA 0.542 4.709 4.170 -0.005 0.000 0.282 220 I C -0.755 175.378 176.117 0.027 0.000 1.031 220 I CA 0.113 61.322 61.300 -0.151 0.000 1.180 220 I CB 0.998 38.562 38.000 -0.726 0.000 1.336 220 I HN 0.560 nan 8.210 nan 0.000 0.467 221 D N 8.371 128.860 120.400 0.148 0.000 2.836 221 D HA 0.198 4.835 4.640 -0.005 0.000 0.215 221 D C -2.332 174.109 176.300 0.235 0.000 1.255 221 D CA -1.287 52.836 54.000 0.206 0.000 0.822 221 D CB 3.359 44.293 40.800 0.223 0.000 1.656 221 D HN 0.063 nan 8.370 nan 0.000 0.511 222 P HA -0.019 nan 4.420 nan 0.000 0.226 222 P C 0.447 177.855 177.300 0.181 0.000 1.153 222 P CA 0.390 63.560 63.100 0.117 0.000 0.777 222 P CB 0.518 32.266 31.700 0.080 0.000 0.794 223 V N 0.787 120.844 119.914 0.239 0.000 2.581 223 V HA 0.317 4.434 4.120 -0.005 0.000 0.303 223 V C 0.747 176.969 176.094 0.213 0.000 1.041 223 V CA -1.070 61.362 62.300 0.220 0.000 0.907 223 V CB 2.210 34.133 31.823 0.165 0.000 0.994 223 V HN -0.128 nan 8.190 nan 0.000 0.442 224 R N 2.970 123.577 120.500 0.179 0.000 2.612 224 R HA 0.261 4.598 4.340 -0.005 0.000 0.273 224 R C 0.451 176.741 176.300 -0.017 0.000 1.376 224 R CA -0.113 55.972 56.100 -0.024 0.000 1.171 224 R CB 0.013 30.366 30.300 0.088 0.000 1.151 224 R HN 0.991 nan 8.270 nan 0.000 0.560 225 T N -0.242 114.291 114.554 -0.035 0.000 2.810 225 T HA 0.182 4.529 4.350 -0.005 0.000 0.277 225 T C 1.078 175.814 174.700 0.059 0.000 0.973 225 T CA -0.661 61.472 62.100 0.055 0.000 0.949 225 T CB 1.072 69.993 68.868 0.089 0.000 1.075 225 T HN 0.435 nan 8.240 nan 0.000 0.537 226 K N -0.142 120.327 120.400 0.116 0.000 2.283 226 K HA -0.059 4.258 4.320 -0.005 0.000 0.202 226 K C 2.390 179.060 176.600 0.118 0.000 1.048 226 K CA 1.194 57.552 56.287 0.119 0.000 0.948 226 K CB -0.536 32.072 32.500 0.180 0.000 0.742 226 K HN 0.593 nan 8.250 nan 0.000 0.458 227 T N 1.189 115.800 114.554 0.095 0.000 2.746 227 T HA -0.103 4.244 4.350 -0.005 0.000 0.267 227 T C 2.066 176.908 174.700 0.236 0.000 1.039 227 T CA 1.083 63.255 62.100 0.120 0.000 1.142 227 T CB -0.166 68.694 68.868 -0.013 0.000 0.866 227 T HN -0.056 nan 8.240 nan 0.000 0.444 228 V N 1.645 121.627 119.914 0.112 0.000 2.255 228 V HA -0.218 3.899 4.120 -0.005 0.000 0.247 228 V C 2.461 178.624 176.094 0.115 0.000 1.051 228 V CA 1.875 64.218 62.300 0.071 0.000 1.018 228 V CB -0.657 31.066 31.823 -0.167 0.000 0.641 228 V HN 0.552 nan 8.190 nan 0.000 0.445 229 E N -0.583 119.667 120.200 0.084 0.000 2.110 229 E HA -0.239 4.108 4.350 -0.005 0.000 0.193 229 E C 2.003 178.654 176.600 0.084 0.000 0.988 229 E CA 1.566 58.011 56.400 0.075 0.000 0.804 229 E CB -0.286 29.450 29.700 0.060 0.000 0.745 229 E HN 0.618 nan 8.360 nan 0.000 0.458 230 F N 0.181 120.091 119.950 -0.067 0.000 2.134 230 F HA -0.153 4.371 4.527 -0.005 0.000 0.299 230 F C 1.449 177.096 175.800 -0.255 0.000 1.097 230 F CA 1.315 59.186 58.000 -0.216 0.000 1.264 230 F CB -0.016 38.747 39.000 -0.396 0.000 1.001 230 F HN -0.083 nan 8.300 nan 0.000 0.479 231 F N 0.414 120.340 119.950 -0.040 0.000 2.754 231 F HA 0.318 4.842 4.527 -0.005 0.000 0.297 231 F C 1.851 177.607 175.800 -0.073 0.000 1.122 231 F CA 0.505 58.433 58.000 -0.120 0.000 1.400 231 F CB -0.633 38.408 39.000 0.069 0.000 1.117 231 F HN 0.050 nan 8.300 nan 0.000 0.587 232 G N 1.337 110.203 108.800 0.112 0.000 2.323 232 G HA2 -0.120 3.837 3.960 -0.005 0.000 0.292 232 G HA3 -0.120 3.837 3.960 -0.005 0.000 0.292 232 G C 0.343 175.314 174.900 0.120 0.000 1.040 232 G CA -0.018 45.131 45.100 0.083 0.000 0.942 232 G HN 0.645 nan 8.290 nan 0.000 0.506 233 A N -0.477 122.443 122.820 0.166 0.000 2.386 233 A HA 0.613 4.931 4.320 -0.005 0.000 0.248 233 A C 0.722 178.380 177.584 0.123 0.000 1.082 233 A CA 0.421 52.547 52.037 0.149 0.000 0.789 233 A CB 0.384 19.492 19.000 0.181 0.000 1.025 233 A HN 0.982 nan 8.150 nan 0.000 0.490 234 E N 0.970 121.232 120.200 0.102 0.000 2.351 234 E HA 0.035 4.382 4.350 -0.005 0.000 0.266 234 E C -0.353 176.339 176.600 0.153 0.000 1.031 234 E CA 0.142 56.601 56.400 0.099 0.000 0.911 234 E CB 0.107 29.843 29.700 0.061 0.000 0.986 234 E HN 0.718 nan 8.360 nan 0.000 0.446 235 H N 6.446 125.531 119.070 0.026 0.000 2.551 235 H HA 0.253 4.806 4.556 -0.005 0.000 0.321 235 H C -0.715 174.608 175.328 -0.008 0.000 1.028 235 H CA -1.184 54.877 56.048 0.022 0.000 1.215 235 H CB 0.616 30.404 29.762 0.043 0.000 1.414 235 H HN 0.429 nan 8.280 nan 0.000 0.480 236 I N 5.131 125.695 120.570 -0.010 0.000 2.359 236 I HA 0.074 4.241 4.170 -0.005 0.000 0.294 236 I C 0.570 176.543 176.117 -0.240 0.000 0.987 236 I CA -0.509 60.696 61.300 -0.159 0.000 1.225 236 I CB 1.342 39.257 38.000 -0.143 0.000 1.366 236 I HN 0.622 nan 8.210 nan 0.000 0.466 237 T N 4.369 118.758 114.554 -0.275 0.000 3.053 237 T HA 0.523 4.870 4.350 -0.005 0.000 0.363 237 T C -2.483 172.146 174.700 -0.117 0.000 1.239 237 T CA -1.729 60.242 62.100 -0.215 0.000 1.071 237 T CB 1.020 69.728 68.868 -0.268 0.000 1.089 237 T HN 0.307 nan 8.240 nan 0.000 0.527 238 P HA 0.371 nan 4.420 nan 0.000 0.281 238 P C -0.433 176.841 177.300 -0.044 0.000 1.249 238 P CA -0.753 62.317 63.100 -0.050 0.000 0.810 238 P CB 1.062 32.761 31.700 -0.001 0.000 1.008 239 K N 2.981 123.347 120.400 -0.057 0.000 2.451 239 K HA 0.164 4.481 4.320 -0.005 0.000 0.280 239 K C -2.103 174.452 176.600 -0.074 0.000 1.020 239 K CA -1.230 55.019 56.287 -0.063 0.000 1.008 239 K CB -0.681 31.788 32.500 -0.052 0.000 0.917 239 K HN 0.364 nan 8.250 nan 0.000 0.478 240 P HA -0.111 nan 4.420 nan 0.000 0.265 240 P C -0.775 176.453 177.300 -0.120 0.000 1.187 240 P CA 0.560 63.502 63.100 -0.263 0.000 0.766 240 P CB 0.490 31.680 31.700 -0.850 0.000 0.820 241 Q N -0.693 119.130 119.800 0.039 0.000 2.464 241 Q HA -0.158 4.179 4.340 -0.005 0.000 0.246 241 Q C 0.336 176.513 176.000 0.296 0.000 0.763 241 Q CA 1.366 57.272 55.803 0.173 0.000 1.233 241 Q CB -2.780 26.072 28.738 0.190 0.000 1.361 241 Q HN 0.709 nan 8.270 nan 0.000 0.699 242 T N -4.981 109.696 114.554 0.205 0.000 3.132 242 T HA 0.204 4.551 4.350 -0.005 0.000 0.274 242 T C 0.580 175.351 174.700 0.118 0.000 1.011 242 T CA 0.414 62.598 62.100 0.139 0.000 0.899 242 T CB 0.279 69.110 68.868 -0.061 0.000 1.089 242 T HN 0.106 nan 8.240 nan 0.000 0.543 243 D N 1.810 122.345 120.400 0.224 0.000 2.149 243 D HA -0.088 4.549 4.640 -0.005 0.000 0.198 243 D C 2.005 178.446 176.300 0.235 0.000 0.990 243 D CA 0.881 55.062 54.000 0.301 0.000 0.839 243 D CB -0.207 40.807 40.800 0.358 0.000 0.948 243 D HN 0.247 nan 8.370 nan 0.000 0.460 244 V N 0.956 121.015 119.914 0.241 0.000 2.332 244 V HA -0.274 3.843 4.120 -0.005 0.000 0.248 244 V C 2.398 178.642 176.094 0.250 0.000 1.055 244 V CA 1.829 64.289 62.300 0.266 0.000 1.038 244 V CB -0.786 31.280 31.823 0.406 0.000 0.651 244 V HN 0.275 nan 8.190 nan 0.000 0.450 245 A N -0.050 122.800 122.820 0.049 0.000 1.877 245 A HA -0.200 4.117 4.320 -0.005 0.000 0.216 245 A C 2.169 179.745 177.584 -0.012 0.000 1.186 245 A CA 2.038 53.950 52.037 -0.209 0.000 0.620 245 A CB -0.564 17.835 19.000 -1.002 0.000 0.822 245 A HN 0.511 nan 8.150 nan 0.000 0.443 246 I N -0.674 119.910 120.570 0.023 0.000 2.208 246 I HA -0.328 3.840 4.170 -0.005 0.000 0.245 246 I C 2.703 178.963 176.117 0.240 0.000 1.097 246 I CA 1.688 63.063 61.300 0.124 0.000 1.363 246 I CB -0.317 37.797 38.000 0.190 0.000 1.051 246 I HN 0.357 nan 8.210 nan 0.000 0.413 247 M N -0.162 119.607 119.600 0.282 0.000 2.175 247 M HA -0.190 4.287 4.480 -0.005 0.000 0.264 247 M C 2.308 178.752 176.300 0.240 0.000 1.063 247 M CA 1.732 57.188 55.300 0.259 0.000 1.119 247 M CB -0.356 32.310 32.600 0.109 0.000 1.377 247 M HN 0.232 nan 8.290 nan 0.000 0.415 248 L N -0.386 120.994 121.223 0.262 0.000 2.056 248 L HA -0.098 4.239 4.340 -0.005 0.000 0.207 248 L C 2.712 179.720 176.870 0.229 0.000 1.078 248 L CA 1.261 56.264 54.840 0.272 0.000 0.749 248 L CB -1.127 41.122 42.059 0.317 0.000 0.901 248 L HN 0.401 nan 8.230 nan 0.000 0.433 249 G N -0.517 108.425 108.800 0.238 0.000 2.422 249 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.218 249 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.218 249 G C 1.639 176.639 174.900 0.168 0.000 1.146 249 G CA 0.567 45.778 45.100 0.184 0.000 0.769 249 G HN 0.181 nan 8.290 nan 0.000 0.547 250 M N 0.726 120.428 119.600 0.170 0.000 2.086 250 M HA 0.004 4.481 4.480 -0.005 0.000 0.261 250 M C 3.091 179.486 176.300 0.159 0.000 1.067 250 M CA 1.421 56.812 55.300 0.151 0.000 1.116 250 M CB -0.266 32.452 32.600 0.196 0.000 1.348 250 M HN 0.311 nan 8.290 nan 0.000 0.407 251 A N -0.483 122.448 122.820 0.185 0.000 1.883 251 A HA -0.244 4.073 4.320 -0.005 0.000 0.217 251 A C 2.052 179.704 177.584 0.113 0.000 1.186 251 A CA 1.883 54.023 52.037 0.171 0.000 0.624 251 A CB -1.285 17.862 19.000 0.244 0.000 0.822 251 A HN 0.578 nan 8.150 nan 0.000 0.444 252 H N 0.008 119.094 119.070 0.026 0.000 2.352 252 H HA -0.112 4.441 4.556 -0.005 0.000 0.299 252 H C 2.003 177.335 175.328 0.006 0.000 1.097 252 H CA 2.118 58.149 56.048 -0.028 0.000 1.311 252 H CB -0.329 29.394 29.762 -0.064 0.000 1.377 252 H HN 0.421 nan 8.280 nan 0.000 0.504 253 T N 1.698 116.353 114.554 0.168 0.000 2.746 253 T HA -0.108 4.239 4.350 -0.005 0.000 0.267 253 T C 2.454 177.182 174.700 0.047 0.000 1.039 253 T CA 1.288 63.452 62.100 0.107 0.000 1.142 253 T CB -0.297 68.629 68.868 0.095 0.000 0.866 253 T HN 0.246 nan 8.240 nan 0.000 0.444 254 L N 0.587 121.852 121.223 0.070 0.000 2.131 254 L HA -0.066 4.271 4.340 -0.005 0.000 0.210 254 L C 2.552 179.515 176.870 0.155 0.000 1.092 254 L CA 0.728 55.637 54.840 0.115 0.000 0.759 254 L CB -0.535 41.613 42.059 0.150 0.000 0.903 254 L HN 0.164 nan 8.230 nan 0.000 0.435 255 V N -0.332 119.600 119.914 0.031 0.000 2.346 255 V HA -0.141 3.976 4.120 -0.005 0.000 0.244 255 V C 2.697 178.784 176.094 -0.012 0.000 1.037 255 V CA 1.526 63.850 62.300 0.039 0.000 1.029 255 V CB -0.562 31.177 31.823 -0.141 0.000 0.663 255 V HN 0.426 nan 8.190 nan 0.000 0.454 256 A N -0.081 122.637 122.820 -0.170 0.000 1.940 256 A HA -0.230 4.088 4.320 -0.005 0.000 0.219 256 A C 1.983 179.553 177.584 -0.024 0.000 1.176 256 A CA 1.844 53.798 52.037 -0.139 0.000 0.631 256 A CB -0.390 18.504 19.000 -0.177 0.000 0.814 256 A HN 0.655 nan 8.150 nan 0.000 0.446 257 E N -1.016 119.190 120.200 0.011 0.000 2.465 257 E HA 0.069 4.416 4.350 -0.005 0.000 0.191 257 E C -0.376 176.250 176.600 0.043 0.000 1.053 257 E CA 0.211 56.627 56.400 0.027 0.000 0.869 257 E CB 0.041 29.759 29.700 0.030 0.000 0.977 257 E HN 0.495 nan 8.360 nan 0.000 0.483 258 D N 0.325 120.770 120.400 0.074 0.000 2.689 258 D HA -0.196 4.441 4.640 -0.005 0.000 0.237 258 D C 0.182 176.507 176.300 0.040 0.000 1.148 258 D CA 0.453 54.498 54.000 0.076 0.000 0.656 258 D CB -1.045 39.769 40.800 0.024 0.000 1.050 258 D HN 0.276 nan 8.370 nan 0.000 0.426 259 L N -0.458 120.824 121.223 0.098 0.000 2.515 259 L HA 0.123 4.460 4.340 -0.005 0.000 0.223 259 L C 1.301 178.216 176.870 0.075 0.000 1.079 259 L CA -0.459 54.420 54.840 0.064 0.000 0.857 259 L CB -0.226 41.880 42.059 0.077 0.000 1.050 259 L HN 0.297 nan 8.230 nan 0.000 0.476 260 Y N -0.593 119.718 120.300 0.020 0.000 2.459 260 Y HA 0.122 4.669 4.550 -0.005 0.000 0.349 260 Y C 0.314 176.214 175.900 0.000 0.000 1.266 260 Y CA -1.138 56.968 58.100 0.011 0.000 1.483 260 Y CB -0.041 38.427 38.460 0.013 0.000 1.362 260 Y HN -0.116 nan 8.280 nan 0.000 0.628 261 D N 2.393 122.825 120.400 0.053 0.000 2.402 261 D HA 0.081 4.718 4.640 -0.005 0.000 0.235 261 D C 0.305 176.574 176.300 -0.051 0.000 1.226 261 D CA -0.002 53.986 54.000 -0.019 0.000 0.918 261 D CB 0.522 41.364 40.800 0.069 0.000 1.043 261 D HN 0.738 nan 8.370 nan 0.000 0.506 262 K N 1.869 122.102 120.400 -0.280 0.000 2.097 262 K HA -0.112 4.205 4.320 -0.005 0.000 0.206 262 K C 1.034 177.612 176.600 -0.037 0.000 1.049 262 K CA 0.858 57.012 56.287 -0.221 0.000 0.933 262 K CB 0.379 32.704 32.500 -0.292 0.000 0.717 262 K HN 0.411 nan 8.250 nan 0.000 0.442 263 D N 0.374 120.773 120.400 -0.002 0.000 2.117 263 D HA -0.151 4.486 4.640 -0.005 0.000 0.198 263 D C 1.714 178.077 176.300 0.105 0.000 0.982 263 D CA 0.902 54.922 54.000 0.033 0.000 0.828 263 D CB -0.221 40.604 40.800 0.041 0.000 0.967 263 D HN 0.078 nan 8.370 nan 0.000 0.464 264 F N 1.731 121.727 119.950 0.077 0.000 2.102 264 F HA -0.196 4.329 4.527 -0.005 0.000 0.298 264 F C 2.187 178.091 175.800 0.173 0.000 1.105 264 F CA 1.016 59.130 58.000 0.190 0.000 1.239 264 F CB -0.060 38.991 39.000 0.084 0.000 0.991 264 F HN -0.177 nan 8.300 nan 0.000 0.474 265 I N 0.756 121.477 120.570 0.251 0.000 2.163 265 I HA -0.310 3.857 4.170 -0.005 0.000 0.243 265 I C 2.750 178.878 176.117 0.019 0.000 1.085 265 I CA 1.603 62.964 61.300 0.101 0.000 1.347 265 I CB -2.070 35.891 38.000 -0.065 0.000 1.044 265 I HN 0.255 nan 8.210 nan 0.000 0.408 266 A N 0.861 123.680 122.820 -0.002 0.000 1.902 266 A HA -0.189 4.128 4.320 -0.005 0.000 0.217 266 A C 2.017 179.527 177.584 -0.124 0.000 1.181 266 A CA 1.814 53.831 52.037 -0.034 0.000 0.623 266 A CB -0.507 18.472 19.000 -0.036 0.000 0.818 266 A HN 0.478 nan 8.150 nan 0.000 0.443 267 N N -2.384 116.163 118.700 -0.254 0.000 2.356 267 N HA 0.069 4.806 4.740 -0.005 0.000 0.178 267 N C 0.271 175.337 175.510 -0.740 0.000 1.075 267 N CA 0.811 53.551 53.050 -0.515 0.000 0.889 267 N CB 0.104 38.154 38.487 -0.728 0.000 0.999 267 N HN 0.630 nan 8.380 nan 0.000 0.464 268 Y N -0.168 119.884 120.300 -0.414 0.000 2.527 268 Y HA 0.200 4.747 4.550 -0.005 0.000 0.247 268 Y C 0.878 176.737 175.900 -0.067 0.000 1.138 268 Y CA -0.401 57.467 58.100 -0.387 0.000 1.228 268 Y CB 0.580 38.427 38.460 -1.021 0.000 1.252 268 Y HN -0.123 nan 8.280 nan 0.000 0.531 269 T N -3.035 111.564 114.554 0.075 0.000 2.907 269 T HA 0.703 5.050 4.350 -0.005 0.000 0.290 269 T C -0.571 174.216 174.700 0.144 0.000 1.066 269 T CA -0.930 61.267 62.100 0.163 0.000 1.012 269 T CB 2.215 71.204 68.868 0.202 0.000 1.184 269 T HN -0.110 nan 8.240 nan 0.000 0.522 270 S N -0.838 114.970 115.700 0.180 0.000 2.571 270 S HA 0.632 5.100 4.470 -0.005 0.000 0.284 270 S C 0.828 175.563 174.600 0.226 0.000 1.128 270 S CA 0.482 58.787 58.200 0.174 0.000 0.970 270 S CB 0.636 63.926 63.200 0.149 0.000 1.039 270 S HN 2.369 nan 8.310 nan 0.000 0.485 271 G N 3.362 112.288 108.800 0.210 0.000 2.157 271 G HA2 -0.257 3.700 3.960 -0.005 0.000 0.239 271 G HA3 -0.257 3.700 3.960 -0.005 0.000 0.239 271 G C 0.504 175.544 174.900 0.233 0.000 0.982 271 G CA 0.329 45.559 45.100 0.215 0.000 0.650 271 G HN 0.846 nan 8.290 nan 0.000 0.527 272 F N 2.550 122.573 119.950 0.122 0.000 2.171 272 F HA -0.044 4.480 4.527 -0.005 0.000 0.300 272 F C 2.452 178.320 175.800 0.114 0.000 1.090 272 F CA 2.299 60.385 58.000 0.143 0.000 1.293 272 F CB 0.072 39.158 39.000 0.143 0.000 1.013 272 F HN 0.360 nan 8.300 nan 0.000 0.486 273 D N -0.128 120.325 120.400 0.088 0.000 2.309 273 D HA -0.201 4.437 4.640 -0.005 0.000 0.212 273 D C 1.495 177.713 176.300 -0.137 0.000 0.968 273 D CA 1.075 55.052 54.000 -0.039 0.000 0.882 273 D CB -0.592 40.218 40.800 0.018 0.000 0.918 273 D HN 0.376 nan 8.370 nan 0.000 0.503 274 K N -0.959 119.355 120.400 -0.144 0.000 2.361 274 K HA 0.044 4.361 4.320 -0.005 0.000 0.196 274 K C 1.520 178.019 176.600 -0.169 0.000 1.039 274 K CA -0.004 56.153 56.287 -0.217 0.000 1.001 274 K CB 0.079 32.265 32.500 -0.524 0.000 0.795 274 K HN 0.098 nan 8.250 nan 0.000 0.495 275 F N 1.333 121.056 119.950 -0.378 0.000 2.317 275 F HA 0.024 4.548 4.527 -0.005 0.000 0.293 275 F C 1.741 177.244 175.800 -0.496 0.000 1.085 275 F CA 0.158 57.829 58.000 -0.547 0.000 1.390 275 F CB -0.048 38.674 39.000 -0.464 0.000 1.077 275 F HN -0.183 nan 8.300 nan 0.000 0.517 276 L N 1.874 122.692 121.223 -0.674 0.000 1.997 276 L HA -0.144 4.194 4.340 -0.005 0.000 0.216 276 L C -0.758 175.832 176.870 -0.465 0.000 1.074 276 L CA 2.439 56.886 54.840 -0.655 0.000 0.763 276 L CB -1.919 39.836 42.059 -0.508 0.000 0.890 276 L HN 0.012 nan 8.230 nan 0.000 0.434 277 P HA -0.230 nan 4.420 nan 0.000 0.218 277 P C 1.385 178.544 177.300 -0.236 0.000 1.148 277 P CA 1.506 64.469 63.100 -0.228 0.000 0.822 277 P CB -0.274 31.335 31.700 -0.150 0.000 0.784 278 Y N 0.456 120.500 120.300 -0.428 0.000 2.163 278 Y HA -0.118 4.429 4.550 -0.005 0.000 0.288 278 Y C 2.142 177.762 175.900 -0.466 0.000 1.136 278 Y CA 1.048 58.910 58.100 -0.397 0.000 1.147 278 Y CB -1.101 37.092 38.460 -0.446 0.000 0.987 278 Y HN -0.236 nan 8.280 nan 0.000 0.509 279 L N 0.700 121.465 121.223 -0.763 0.000 2.042 279 L HA -0.195 4.143 4.340 -0.005 0.000 0.210 279 L C 1.479 178.079 176.870 -0.450 0.000 1.076 279 L CA 2.191 56.594 54.840 -0.730 0.000 0.749 279 L CB -0.783 40.825 42.059 -0.752 0.000 0.893 279 L HN 0.204 nan 8.230 nan 0.000 0.432 280 D N -0.421 119.767 120.400 -0.353 0.000 2.349 280 D HA 0.145 4.782 4.640 -0.005 0.000 0.224 280 D C 1.568 177.730 176.300 -0.229 0.000 1.029 280 D CA 0.939 54.819 54.000 -0.200 0.000 0.879 280 D CB 0.072 40.768 40.800 -0.174 0.000 0.906 280 D HN 0.484 nan 8.370 nan 0.000 0.528 281 G N 1.442 110.041 108.800 -0.335 0.000 2.147 281 G HA2 -0.340 3.617 3.960 -0.005 0.000 0.244 281 G HA3 -0.340 3.617 3.960 -0.005 0.000 0.244 281 G C 0.884 175.670 174.900 -0.189 0.000 1.005 281 G CA 0.364 45.283 45.100 -0.302 0.000 0.713 281 G HN 0.366 nan 8.290 nan 0.000 0.515 282 E N -0.414 119.688 120.200 -0.162 0.000 2.152 282 E HA -0.067 4.280 4.350 -0.005 0.000 0.192 282 E C 2.655 179.209 176.600 -0.076 0.000 0.983 282 E CA 1.544 57.880 56.400 -0.106 0.000 0.818 282 E CB -0.094 29.546 29.700 -0.100 0.000 0.758 282 E HN 0.716 nan 8.360 nan 0.000 0.467 283 T N -0.709 113.806 114.554 -0.064 0.000 3.054 283 T HA -0.056 4.291 4.350 -0.005 0.000 0.259 283 T C 1.034 175.730 174.700 -0.006 0.000 1.092 283 T CA 1.071 63.165 62.100 -0.010 0.000 1.121 283 T CB 0.085 68.989 68.868 0.060 0.000 0.912 283 T HN 0.103 nan 8.240 nan 0.000 0.489 284 D N -0.791 119.582 120.400 -0.045 0.000 2.538 284 D HA 0.224 4.861 4.640 -0.005 0.000 0.241 284 D C 0.437 176.694 176.300 -0.071 0.000 1.297 284 D CA -0.067 53.910 54.000 -0.037 0.000 0.804 284 D CB -0.313 40.478 40.800 -0.014 0.000 1.122 284 D HN 0.206 nan 8.370 nan 0.000 0.519 285 S N -0.951 114.692 115.700 -0.095 0.000 3.490 285 S HA -0.133 4.334 4.470 -0.005 0.000 0.301 285 S C -0.055 174.462 174.600 -0.137 0.000 1.233 285 S CA 1.191 59.333 58.200 -0.096 0.000 0.914 285 S CB -2.007 61.159 63.200 -0.057 0.000 1.047 285 S HN 0.541 nan 8.310 nan 0.000 0.602 286 T N 2.069 116.491 114.554 -0.221 0.000 3.141 286 T HA 0.400 4.747 4.350 -0.005 0.000 0.377 286 T C -2.906 171.486 174.700 -0.512 0.000 1.258 286 T CA -1.164 60.739 62.100 -0.328 0.000 1.263 286 T CB 1.428 70.085 68.868 -0.353 0.000 1.066 286 T HN -0.097 nan 8.240 nan 0.000 0.546 287 P HA 0.067 nan 4.420 nan 0.000 0.261 287 P C 0.057 176.952 177.300 -0.674 0.000 1.183 287 P CA -0.339 62.499 63.100 -0.438 0.000 0.761 287 P CB 0.487 32.021 31.700 -0.277 0.000 0.785 288 K N 2.372 122.321 120.400 -0.751 0.000 2.751 288 K HA 0.116 4.433 4.320 -0.005 0.000 0.252 288 K C 0.685 177.017 176.600 -0.447 0.000 1.277 288 K CA 0.092 55.867 56.287 -0.853 0.000 1.226 288 K CB -1.161 30.846 32.500 -0.823 0.000 1.658 288 K HN 0.484 nan 8.250 nan 0.000 0.303 289 T N -3.005 111.243 114.554 -0.511 0.000 2.766 289 T HA 0.275 4.622 4.350 -0.005 0.000 0.295 289 T C 1.637 176.319 174.700 -0.031 0.000 1.024 289 T CA -0.111 61.694 62.100 -0.492 0.000 1.018 289 T CB 1.194 69.825 68.868 -0.396 0.000 1.002 289 T HN 0.229 nan 8.240 nan 0.000 0.532 290 A N 0.509 123.321 122.820 -0.013 0.000 1.940 290 A HA -0.068 4.249 4.320 -0.005 0.000 0.219 290 A C 2.211 179.789 177.584 -0.009 0.000 1.176 290 A CA 1.779 53.827 52.037 0.019 0.000 0.631 290 A CB -1.082 17.929 19.000 0.018 0.000 0.814 290 A HN 0.926 nan 8.150 nan 0.000 0.446 291 E N -1.334 118.859 120.200 -0.012 0.000 2.106 291 E HA -0.189 4.158 4.350 -0.005 0.000 0.192 291 E C 1.566 178.159 176.600 -0.012 0.000 0.984 291 E CA 1.352 57.739 56.400 -0.022 0.000 0.806 291 E CB -0.367 29.323 29.700 -0.016 0.000 0.750 291 E HN 0.876 nan 8.360 nan 0.000 0.458 292 W N 1.311 122.513 121.300 -0.164 0.000 2.358 292 W HA -0.148 4.509 4.660 -0.005 0.000 0.303 292 W C 2.196 178.599 176.519 -0.193 0.000 1.208 292 W CA 2.070 59.309 57.345 -0.176 0.000 1.274 292 W CB -0.381 28.953 29.460 -0.211 0.000 1.138 292 W HN 0.040 nan 8.180 nan 0.000 0.515 293 A N 0.157 122.814 122.820 -0.271 0.000 1.969 293 A HA -0.223 4.094 4.320 -0.005 0.000 0.218 293 A C 1.996 179.316 177.584 -0.439 0.000 1.169 293 A CA 1.834 53.539 52.037 -0.553 0.000 0.635 293 A CB -1.049 17.850 19.000 -0.170 0.000 0.810 293 A HN 0.570 nan 8.150 nan 0.000 0.445 294 E N -0.281 119.762 120.200 -0.263 0.000 2.077 294 E HA -0.130 4.218 4.350 -0.005 0.000 0.193 294 E C 2.037 178.492 176.600 -0.242 0.000 0.989 294 E CA 1.123 57.400 56.400 -0.205 0.000 0.800 294 E CB -0.478 29.145 29.700 -0.129 0.000 0.746 294 E HN 0.483 nan 8.360 nan 0.000 0.452 295 G N 0.878 109.512 108.800 -0.278 0.000 2.450 295 G HA2 -0.223 3.735 3.960 -0.005 0.000 0.220 295 G HA3 -0.223 3.735 3.960 -0.005 0.000 0.220 295 G C 1.543 176.259 174.900 -0.306 0.000 1.130 295 G CA 0.893 45.841 45.100 -0.254 0.000 0.760 295 G HN 0.270 nan 8.290 nan 0.000 0.557 296 I N 0.935 121.209 120.570 -0.493 0.000 2.429 296 I HA -0.065 4.102 4.170 -0.005 0.000 0.247 296 I C 2.989 178.906 176.117 -0.333 0.000 1.099 296 I CA 1.341 62.355 61.300 -0.477 0.000 1.422 296 I CB 0.035 37.505 38.000 -0.883 0.000 1.112 296 I HN 0.314 nan 8.210 nan 0.000 0.430 297 S N -0.064 115.430 115.700 -0.343 0.000 2.478 297 S HA 0.149 4.616 4.470 -0.005 0.000 0.222 297 S C 1.775 176.284 174.600 -0.151 0.000 1.008 297 S CA 0.580 58.651 58.200 -0.215 0.000 0.928 297 S CB 0.485 63.565 63.200 -0.199 0.000 0.781 297 S HN 0.581 nan 8.310 nan 0.000 0.518 298 G N 0.420 109.126 108.800 -0.157 0.000 2.199 298 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.254 298 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.254 298 G C 0.075 174.909 174.900 -0.110 0.000 0.982 298 G CA 0.127 45.156 45.100 -0.118 0.000 0.632 298 G HN 0.726 nan 8.290 nan 0.000 0.529 299 V N 2.638 122.482 119.914 -0.117 0.000 2.461 299 V HA 0.410 4.528 4.120 -0.005 0.000 0.275 299 V C -1.529 174.507 176.094 -0.096 0.000 1.047 299 V CA -1.417 60.821 62.300 -0.104 0.000 0.955 299 V CB 1.372 33.134 31.823 -0.101 0.000 0.988 299 V HN 0.107 nan 8.190 nan 0.000 0.471 300 P HA 0.040 nan 4.420 nan 0.000 0.262 300 P C 0.667 177.927 177.300 -0.066 0.000 1.182 300 P CA 0.267 63.324 63.100 -0.070 0.000 0.761 300 P CB 0.686 32.350 31.700 -0.060 0.000 0.795 301 A N 4.473 127.257 122.820 -0.060 0.000 1.927 301 A HA -0.269 4.048 4.320 -0.005 0.000 0.220 301 A C 2.056 179.616 177.584 -0.039 0.000 1.185 301 A CA 1.641 53.650 52.037 -0.047 0.000 0.639 301 A CB -0.938 18.040 19.000 -0.037 0.000 0.820 301 A HN 0.481 nan 8.150 nan 0.000 0.451 302 E N -0.667 119.510 120.200 -0.039 0.000 2.150 302 E HA -0.107 4.240 4.350 -0.005 0.000 0.193 302 E C 2.182 178.751 176.600 -0.050 0.000 0.985 302 E CA 1.557 57.935 56.400 -0.037 0.000 0.814 302 E CB -0.580 29.100 29.700 -0.033 0.000 0.752 302 E HN 0.644 nan 8.360 nan 0.000 0.466 303 T N 1.338 115.856 114.554 -0.059 0.000 2.777 303 T HA -0.069 4.279 4.350 -0.005 0.000 0.266 303 T C 2.109 176.752 174.700 -0.095 0.000 1.040 303 T CA 0.887 62.941 62.100 -0.076 0.000 1.141 303 T CB -0.159 68.663 68.868 -0.077 0.000 0.868 303 T HN 0.125 nan 8.240 nan 0.000 0.444 304 I N 0.864 121.387 120.570 -0.078 0.000 2.163 304 I HA -0.233 3.934 4.170 -0.005 0.000 0.243 304 I C 2.538 178.611 176.117 -0.074 0.000 1.085 304 I CA 1.497 62.756 61.300 -0.069 0.000 1.347 304 I CB -0.315 37.666 38.000 -0.032 0.000 1.044 304 I HN 0.216 nan 8.210 nan 0.000 0.408 305 K N 0.594 120.964 120.400 -0.050 0.000 2.057 305 K HA -0.196 4.121 4.320 -0.005 0.000 0.207 305 K C 2.011 178.562 176.600 -0.081 0.000 1.049 305 K CA 1.522 57.784 56.287 -0.041 0.000 0.931 305 K CB -0.189 32.302 32.500 -0.015 0.000 0.714 305 K HN 0.382 nan 8.250 nan 0.000 0.440 306 E N 0.496 120.639 120.200 -0.096 0.000 2.106 306 E HA -0.161 4.186 4.350 -0.005 0.000 0.192 306 E C 1.867 178.345 176.600 -0.203 0.000 0.984 306 E CA 0.615 56.947 56.400 -0.113 0.000 0.806 306 E CB 0.048 29.695 29.700 -0.087 0.000 0.750 306 E HN 0.062 nan 8.360 nan 0.000 0.458 307 L N 0.762 121.806 121.223 -0.299 0.000 2.056 307 L HA -0.121 4.217 4.340 -0.005 0.000 0.207 307 L C 2.326 178.671 176.870 -0.874 0.000 1.078 307 L CA 1.766 56.225 54.840 -0.635 0.000 0.749 307 L CB -1.228 40.469 42.059 -0.603 0.000 0.901 307 L HN 0.053 nan 8.230 nan 0.000 0.433 308 A N -0.556 121.993 122.820 -0.452 0.000 1.883 308 A HA -0.242 4.076 4.320 -0.005 0.000 0.217 308 A C 2.449 179.958 177.584 -0.126 0.000 1.186 308 A CA 1.795 53.696 52.037 -0.227 0.000 0.624 308 A CB -0.457 18.514 19.000 -0.049 0.000 0.822 308 A HN 0.392 nan 8.150 nan 0.000 0.444 309 R N -1.188 119.247 120.500 -0.109 0.000 2.092 309 R HA -0.059 4.278 4.340 -0.005 0.000 0.231 309 R C 2.142 178.425 176.300 -0.027 0.000 1.119 309 R CA 1.322 57.398 56.100 -0.040 0.000 0.970 309 R CB -0.529 29.750 30.300 -0.033 0.000 0.864 309 R HN 0.509 nan 8.270 nan 0.000 0.440 310 L N 0.209 121.381 121.223 -0.085 0.000 2.046 310 L HA -0.119 4.218 4.340 -0.005 0.000 0.208 310 L C 1.750 178.714 176.870 0.157 0.000 1.077 310 L CA 1.718 56.558 54.840 -0.001 0.000 0.747 310 L CB -0.345 41.693 42.059 -0.035 0.000 0.896 310 L HN -0.015 nan 8.230 nan 0.000 0.432 311 F N 0.196 120.158 119.950 0.020 0.000 2.171 311 F HA -0.132 4.392 4.527 -0.005 0.000 0.300 311 F C 2.623 178.433 175.800 0.017 0.000 1.090 311 F CA 1.343 59.357 58.000 0.023 0.000 1.293 311 F CB -1.194 37.836 39.000 0.050 0.000 1.013 311 F HN 0.274 nan 8.300 nan 0.000 0.486 312 E N 0.465 120.786 120.200 0.201 0.000 2.208 312 E HA -0.124 4.223 4.350 -0.005 0.000 0.193 312 E C 2.039 178.684 176.600 0.076 0.000 0.988 312 E CA 1.316 57.787 56.400 0.117 0.000 0.828 312 E CB -0.190 29.566 29.700 0.094 0.000 0.763 312 E HN 0.245 nan 8.360 nan 0.000 0.478 313 S N -1.167 114.575 115.700 0.071 0.000 2.535 313 S HA 0.193 4.660 4.470 -0.005 0.000 0.214 313 S C 0.528 175.154 174.600 0.043 0.000 0.980 313 S CA -0.391 57.836 58.200 0.046 0.000 0.907 313 S CB 0.271 63.492 63.200 0.035 0.000 0.790 313 S HN -0.111 nan 8.310 nan 0.000 0.510 314 K N 1.352 121.787 120.400 0.059 0.000 2.395 314 K HA 0.423 4.740 4.320 -0.005 0.000 0.247 314 K C -0.943 175.672 176.600 0.024 0.000 0.973 314 K CA -0.870 55.442 56.287 0.041 0.000 0.828 314 K CB 1.539 34.071 32.500 0.053 0.000 1.272 314 K HN 0.036 nan 8.250 nan 0.000 0.439 315 R N 1.144 121.645 120.500 0.002 0.000 2.402 315 R HA 0.099 4.436 4.340 -0.005 0.000 0.331 315 R C -0.882 175.392 176.300 -0.043 0.000 1.040 315 R CA 0.631 56.718 56.100 -0.022 0.000 0.980 315 R CB -0.627 29.659 30.300 -0.023 0.000 0.967 315 R HN 0.430 nan 8.270 nan 0.000 0.440 316 T N 5.492 120.008 114.554 -0.064 0.000 2.823 316 T HA 0.396 4.743 4.350 -0.005 0.000 0.279 316 T C -0.674 173.932 174.700 -0.156 0.000 0.998 316 T CA -0.593 61.431 62.100 -0.127 0.000 0.994 316 T CB 1.151 69.925 68.868 -0.156 0.000 0.960 316 T HN 0.509 nan 8.240 nan 0.000 0.448 317 M N 4.409 123.891 119.600 -0.197 0.000 2.114 317 M HA 0.485 4.962 4.480 -0.005 0.000 0.332 317 M C -1.679 174.501 176.300 -0.200 0.000 1.014 317 M CA -0.953 54.241 55.300 -0.177 0.000 0.956 317 M CB 0.232 32.700 32.600 -0.220 0.000 1.551 317 M HN 0.469 nan 8.290 nan 0.000 0.427 318 L N 5.521 126.697 121.223 -0.079 0.000 2.270 318 L HA 0.616 4.953 4.340 -0.005 0.000 0.286 318 L C -0.025 176.916 176.870 0.118 0.000 1.059 318 L CA -0.658 54.179 54.840 -0.005 0.000 0.839 318 L CB 0.487 42.581 42.059 0.060 0.000 1.221 318 L HN 0.899 nan 8.230 nan 0.000 0.431 319 A N 3.458 126.309 122.820 0.052 0.000 2.366 319 A HA 0.749 5.066 4.320 -0.005 0.000 0.322 319 A C 0.220 177.990 177.584 0.310 0.000 1.397 319 A CA -0.310 51.854 52.037 0.212 0.000 0.984 319 A CB 0.452 19.489 19.000 0.061 0.000 1.149 319 A HN 0.691 nan 8.150 nan 0.000 0.540 320 A N 2.453 125.473 122.820 0.333 0.000 2.324 320 A HA 0.815 5.132 4.320 -0.005 0.000 0.330 320 A C 0.635 178.312 177.584 0.155 0.000 1.165 320 A CA 0.060 52.286 52.037 0.315 0.000 0.813 320 A CB 0.905 20.106 19.000 0.335 0.000 1.197 320 A HN 1.310 nan 8.150 nan 0.000 0.484 321 G N -0.486 108.309 108.800 -0.008 0.000 2.568 321 G HA2 0.458 4.416 3.960 -0.005 0.000 0.293 321 G HA3 0.458 4.416 3.960 -0.005 0.000 0.293 321 G C -0.103 174.825 174.900 0.047 0.000 1.347 321 G CA -0.309 44.458 45.100 -0.554 0.000 1.039 321 G HN 0.739 nan 8.290 nan 0.000 0.523 322 W N -0.287 121.024 121.300 0.017 0.000 3.127 322 W HA 0.159 4.816 4.660 -0.005 0.000 0.344 322 W C 2.363 178.985 176.519 0.172 0.000 1.151 322 W CA 0.134 57.581 57.345 0.170 0.000 1.765 322 W CB -0.961 28.592 29.460 0.155 0.000 1.085 322 W HN 0.616 nan 8.180 nan 0.000 0.596 323 S N 1.369 117.254 115.700 0.308 0.000 2.383 323 S HA -0.279 4.188 4.470 -0.005 0.000 0.229 323 S C 1.791 176.545 174.600 0.258 0.000 1.030 323 S CA 1.714 60.074 58.200 0.267 0.000 1.002 323 S CB -0.930 62.403 63.200 0.222 0.000 0.829 323 S HN 0.379 nan 8.310 nan 0.000 0.467 324 M N 0.843 120.587 119.600 0.240 0.000 2.549 324 M HA 0.059 4.536 4.480 -0.005 0.000 0.260 324 M C 1.558 177.956 176.300 0.164 0.000 1.076 324 M CA 1.422 56.829 55.300 0.179 0.000 1.090 324 M CB -0.649 32.023 32.600 0.119 0.000 1.418 324 M HN 0.436 nan 8.290 nan 0.000 0.486 325 Q N 0.655 120.600 119.800 0.242 0.000 2.247 325 Q HA 0.202 4.539 4.340 -0.005 0.000 0.211 325 Q C 1.125 177.238 176.000 0.189 0.000 0.861 325 Q CA 0.185 56.121 55.803 0.223 0.000 0.949 325 Q CB -0.062 28.867 28.738 0.318 0.000 1.115 325 Q HN 0.575 nan 8.270 nan 0.000 0.507 326 R N 0.804 121.430 120.500 0.210 0.000 4.031 326 R HA 0.442 4.780 4.340 -0.005 0.000 0.269 326 R C -0.981 175.419 176.300 0.166 0.000 1.668 326 R CA 0.113 56.325 56.100 0.188 0.000 1.432 326 R CB -0.118 30.326 30.300 0.240 0.000 1.374 326 R HN 0.262 nan 8.270 nan 0.000 0.681 327 M N -1.022 118.665 119.600 0.146 0.000 2.682 327 M HA 0.153 4.630 4.480 -0.005 0.000 0.272 327 M C -0.857 175.520 176.300 0.129 0.000 1.232 327 M CA -0.889 54.497 55.300 0.144 0.000 0.849 327 M CB 2.270 34.971 32.600 0.169 0.000 1.695 327 M HN 0.178 nan 8.290 nan 0.000 0.481 328 H N 0.801 119.847 119.070 -0.040 0.000 3.034 328 H HA 0.008 4.561 4.556 -0.005 0.000 0.324 328 H C -0.416 174.800 175.328 -0.187 0.000 1.015 328 H CA 1.546 57.473 56.048 -0.202 0.000 1.429 328 H CB 0.241 29.830 29.762 -0.288 0.000 1.429 328 H HN 0.788 nan 8.280 nan 0.000 0.585 329 H N 0.938 119.939 119.070 -0.115 0.000 2.862 329 H HA -0.170 4.383 4.556 -0.005 0.000 0.290 329 H C 1.555 176.869 175.328 -0.023 0.000 1.211 329 H CA 0.156 56.111 56.048 -0.154 0.000 1.140 329 H CB -1.383 28.197 29.762 -0.303 0.000 1.341 329 H HN 0.909 nan 8.280 nan 0.000 0.392 330 G N 0.398 109.264 108.800 0.110 0.000 2.479 330 G HA2 -0.252 3.705 3.960 -0.005 0.000 0.220 330 G HA3 -0.252 3.705 3.960 -0.005 0.000 0.220 330 G C 1.371 176.352 174.900 0.135 0.000 1.115 330 G CA 1.196 46.370 45.100 0.123 0.000 0.757 330 G HN 0.484 nan 8.290 nan 0.000 0.560 331 E N 0.499 120.777 120.200 0.130 0.000 2.160 331 E HA -0.114 4.233 4.350 -0.005 0.000 0.195 331 E C 2.666 179.398 176.600 0.221 0.000 0.991 331 E CA 0.986 57.472 56.400 0.143 0.000 0.810 331 E CB -0.072 29.695 29.700 0.112 0.000 0.742 331 E HN 0.342 nan 8.360 nan 0.000 0.466 332 Q N -0.019 119.899 119.800 0.197 0.000 2.167 332 Q HA -0.025 4.312 4.340 -0.005 0.000 0.202 332 Q C 2.215 178.289 176.000 0.123 0.000 0.970 332 Q CA 1.283 57.198 55.803 0.187 0.000 0.855 332 Q CB -0.424 28.370 28.738 0.093 0.000 0.911 332 Q HN 0.339 nan 8.270 nan 0.000 0.438 333 A N 0.881 123.732 122.820 0.052 0.000 1.865 333 A HA -0.224 4.093 4.320 -0.005 0.000 0.217 333 A C 1.686 179.124 177.584 -0.243 0.000 1.191 333 A CA 1.912 53.875 52.037 -0.124 0.000 0.623 333 A CB -0.891 17.974 19.000 -0.225 0.000 0.826 333 A HN 0.458 nan 8.150 nan 0.000 0.444 334 H N -3.633 115.456 119.070 0.032 0.000 2.512 334 H HA -0.052 4.501 4.556 -0.005 0.000 0.279 334 H C 1.631 176.969 175.328 0.018 0.000 0.999 334 H CA 0.892 56.930 56.048 -0.016 0.000 1.283 334 H CB -0.028 29.741 29.762 0.012 0.000 1.421 334 H HN 0.714 nan 8.280 nan 0.000 0.554 335 W N 1.190 122.465 121.300 -0.041 0.000 2.379 335 W HA -0.172 4.485 4.660 -0.004 0.000 0.307 335 W C 2.128 178.562 176.519 -0.142 0.000 1.200 335 W CA 1.232 58.522 57.345 -0.091 0.000 1.297 335 W CB -0.592 28.827 29.460 -0.069 0.000 1.140 335 W HN 0.195 nan 8.180 nan 0.000 0.507 336 M N 0.139 119.763 119.600 0.040 0.000 2.229 336 M HA -0.123 4.354 4.480 -0.005 0.000 0.264 336 M C 2.121 178.343 176.300 -0.131 0.000 1.063 336 M CA 1.566 56.802 55.300 -0.106 0.000 1.114 336 M CB -1.057 31.514 32.600 -0.048 0.000 1.387 336 M HN 0.016 nan 8.290 nan 0.000 0.420 337 L N -0.888 120.225 121.223 -0.184 0.000 2.046 337 L HA -0.117 4.220 4.340 -0.005 0.000 0.208 337 L C 2.018 178.729 176.870 -0.266 0.000 1.077 337 L CA 1.307 55.985 54.840 -0.270 0.000 0.747 337 L CB -0.436 41.429 42.059 -0.323 0.000 0.896 337 L HN 0.151 nan 8.230 nan 0.000 0.432 338 V N -0.778 118.955 119.914 -0.302 0.000 2.515 338 V HA -0.255 3.862 4.120 -0.005 0.000 0.250 338 V C 2.447 178.433 176.094 -0.181 0.000 1.058 338 V CA 2.116 64.162 62.300 -0.425 0.000 1.064 338 V CB -0.712 30.863 31.823 -0.413 0.000 0.675 338 V HN 0.546 nan 8.190 nan 0.000 0.461 339 T N 0.437 114.926 114.554 -0.108 0.000 2.737 339 T HA -0.174 4.173 4.350 -0.005 0.000 0.265 339 T C 1.894 176.570 174.700 -0.039 0.000 1.038 339 T CA 1.787 63.830 62.100 -0.094 0.000 1.144 339 T CB -0.308 68.391 68.868 -0.282 0.000 0.866 339 T HN 0.322 nan 8.240 nan 0.000 0.434 340 L N 1.487 122.687 121.223 -0.039 0.000 2.046 340 L HA 0.050 4.388 4.340 -0.005 0.000 0.208 340 L C 2.589 179.465 176.870 0.010 0.000 1.077 340 L CA 1.914 56.774 54.840 0.032 0.000 0.747 340 L CB -0.958 41.138 42.059 0.061 0.000 0.896 340 L HN 0.220 nan 8.230 nan 0.000 0.432 341 A N -1.460 121.327 122.820 -0.054 0.000 1.933 341 A HA -0.189 4.128 4.320 -0.005 0.000 0.218 341 A C 2.378 179.880 177.584 -0.137 0.000 1.175 341 A CA 1.970 53.966 52.037 -0.068 0.000 0.628 341 A CB -0.924 18.043 19.000 -0.055 0.000 0.814 341 A HN 0.546 nan 8.150 nan 0.000 0.444 342 S N -0.343 115.304 115.700 -0.089 0.000 2.368 342 S HA -0.162 4.305 4.470 -0.005 0.000 0.225 342 S C 1.984 176.544 174.600 -0.066 0.000 1.030 342 S CA 1.794 59.963 58.200 -0.052 0.000 0.999 342 S CB -0.412 62.898 63.200 0.184 0.000 0.844 342 S HN 0.596 nan 8.310 nan 0.000 0.459 343 M N 0.827 120.424 119.600 -0.006 0.000 2.213 343 M HA -0.052 4.425 4.480 -0.005 0.000 0.263 343 M C 1.758 178.090 176.300 0.054 0.000 1.062 343 M CA 1.257 56.585 55.300 0.047 0.000 1.105 343 M CB -0.591 32.042 32.600 0.055 0.000 1.385 343 M HN 0.252 nan 8.290 nan 0.000 0.417 344 L N -0.691 120.522 121.223 -0.017 0.000 2.217 344 L HA 0.025 4.362 4.340 -0.005 0.000 0.211 344 L C 1.602 178.390 176.870 -0.136 0.000 1.107 344 L CA 0.712 55.537 54.840 -0.025 0.000 0.783 344 L CB -0.859 41.200 42.059 0.000 0.000 0.919 344 L HN 0.613 nan 8.230 nan 0.000 0.442 345 G N -0.005 108.572 108.800 -0.370 0.000 2.143 345 G HA2 -0.308 3.649 3.960 -0.005 0.000 0.248 345 G HA3 -0.308 3.649 3.960 -0.005 0.000 0.248 345 G C 0.617 175.207 174.900 -0.516 0.000 0.991 345 G CA 0.499 45.243 45.100 -0.592 0.000 0.689 345 G HN 0.529 nan 8.290 nan 0.000 0.522 346 Q N -0.744 118.807 119.800 -0.415 0.000 2.247 346 Q HA 0.395 4.732 4.340 -0.005 0.000 0.211 346 Q C 1.107 176.972 176.000 -0.225 0.000 0.861 346 Q CA -0.347 55.313 55.803 -0.239 0.000 0.949 346 Q CB 0.919 29.576 28.738 -0.135 0.000 1.115 346 Q HN 0.676 nan 8.270 nan 0.000 0.507 347 I N 1.375 121.736 120.570 -0.348 0.000 2.741 347 I HA -0.079 4.088 4.170 -0.005 0.000 0.288 347 I C 1.205 177.302 176.117 -0.034 0.000 1.192 347 I CA 1.154 62.364 61.300 -0.150 0.000 1.426 347 I CB 0.322 38.258 38.000 -0.108 0.000 1.367 347 I HN 0.490 nan 8.210 nan 0.000 0.563 348 G N 5.183 113.995 108.800 0.020 0.000 2.195 348 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.246 348 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.246 348 G C 0.102 174.988 174.900 -0.024 0.000 0.984 348 G CA -0.503 44.624 45.100 0.046 0.000 0.633 348 G HN 0.455 nan 8.290 nan 0.000 0.525 349 L N 1.790 122.984 121.223 -0.047 0.000 2.375 349 L HA 0.444 4.782 4.340 -0.005 0.000 0.271 349 L C -1.801 175.035 176.870 -0.057 0.000 1.107 349 L CA -2.245 52.567 54.840 -0.048 0.000 0.806 349 L CB 1.013 43.043 42.059 -0.049 0.000 1.146 349 L HN -0.129 nan 8.230 nan 0.000 0.447 350 P HA 0.037 nan 4.420 nan 0.000 0.262 350 P C 0.736 178.008 177.300 -0.045 0.000 1.199 350 P CA 0.608 63.678 63.100 -0.050 0.000 0.763 350 P CB 0.616 32.299 31.700 -0.029 0.000 0.790 351 G N 2.103 110.871 108.800 -0.054 0.000 2.179 351 G HA2 -0.148 3.810 3.960 -0.005 0.000 0.260 351 G HA3 -0.148 3.810 3.960 -0.005 0.000 0.260 351 G C 0.482 175.338 174.900 -0.074 0.000 0.977 351 G CA -0.092 44.973 45.100 -0.059 0.000 0.641 351 G HN 0.909 nan 8.290 nan 0.000 0.533 352 G N -1.876 106.881 108.800 -0.072 0.000 2.597 352 G HA2 0.897 4.854 3.960 -0.005 0.000 0.317 352 G HA3 0.897 4.854 3.960 -0.005 0.000 0.317 352 G C 0.769 175.624 174.900 -0.074 0.000 1.230 352 G CA 0.934 45.987 45.100 -0.078 0.000 0.996 352 G HN 1.879 nan 8.290 nan 0.000 0.490 353 G N -0.939 107.825 108.800 -0.059 0.000 2.601 353 G HA2 0.400 4.357 3.960 -0.005 0.000 0.224 353 G HA3 0.400 4.357 3.960 -0.005 0.000 0.224 353 G C -0.275 174.698 174.900 0.121 0.000 1.171 353 G CA 0.414 45.516 45.100 0.002 0.000 1.009 353 G HN 2.135 nan 8.290 nan 0.000 0.589 354 F N -1.018 118.926 119.950 -0.011 0.000 2.662 354 F HA 0.849 5.374 4.527 -0.005 0.000 0.312 354 F C 0.000 175.863 175.800 0.105 0.000 1.113 354 F CA -0.402 57.619 58.000 0.034 0.000 0.951 354 F CB 1.534 40.546 39.000 0.019 0.000 1.344 354 F HN 1.602 nan 8.300 nan 0.000 0.462 355 G N 1.098 110.019 108.800 0.203 0.000 2.753 355 G HA2 0.518 4.476 3.960 -0.005 0.000 0.295 355 G HA3 0.518 4.476 3.960 -0.005 0.000 0.295 355 G C -1.229 173.809 174.900 0.229 0.000 1.437 355 G CA -0.894 44.230 45.100 0.040 0.000 1.094 355 G HN 0.872 nan 8.290 nan 0.000 0.540 356 L N 1.081 122.421 121.223 0.195 0.000 2.769 356 L HA 0.335 4.672 4.340 -0.005 0.000 0.240 356 L C 1.473 178.583 176.870 0.400 0.000 1.163 356 L CA 0.102 55.154 54.840 0.353 0.000 0.962 356 L CB 1.087 43.356 42.059 0.350 0.000 1.258 356 L HN 0.507 nan 8.230 nan 0.000 0.513 357 S N -1.558 114.204 115.700 0.102 0.000 3.021 357 S HA 0.215 4.682 4.470 -0.005 0.000 0.252 357 S C 0.758 175.280 174.600 -0.130 0.000 0.996 357 S CA -0.386 57.829 58.200 0.025 0.000 1.084 357 S CB 0.105 63.389 63.200 0.139 0.000 1.021 357 S HN 0.268 nan 8.310 nan 0.000 0.566 358 Y N 1.479 121.850 120.300 0.119 0.000 2.516 358 Y HA 0.057 4.604 4.550 -0.005 0.000 0.291 358 Y C 2.322 178.376 175.900 0.258 0.000 1.131 358 Y CA 1.240 59.422 58.100 0.136 0.000 1.281 358 Y CB -0.087 38.458 38.460 0.142 0.000 1.013 358 Y HN 0.638 nan 8.280 nan 0.000 0.554 359 H N -3.200 115.991 119.070 0.202 0.000 2.551 359 H HA 0.108 4.662 4.556 -0.005 0.000 0.271 359 H C -0.733 174.642 175.328 0.079 0.000 0.984 359 H CA -0.059 56.039 56.048 0.084 0.000 1.164 359 H CB -0.475 29.260 29.762 -0.045 0.000 1.437 359 H HN 0.289 nan 8.280 nan 0.000 0.550 360 Y N 1.458 121.440 120.300 -0.529 0.000 2.361 360 Y HA 0.383 4.930 4.550 -0.005 0.000 0.337 360 Y C 0.201 176.192 175.900 0.153 0.000 0.965 360 Y CA -0.874 57.068 58.100 -0.263 0.000 1.091 360 Y CB 1.471 39.663 38.460 -0.447 0.000 1.182 360 Y HN 0.170 nan 8.280 nan 0.000 0.450 361 S N 4.113 119.578 115.700 -0.392 0.000 3.486 361 S HA -0.209 4.258 4.470 -0.005 0.000 0.371 361 S C 1.050 175.741 174.600 0.152 0.000 1.001 361 S CA 1.525 59.587 58.200 -0.230 0.000 1.164 361 S CB -1.791 61.059 63.200 -0.583 0.000 0.911 361 S HN 2.087 nan 8.310 nan 0.000 0.472 362 G N -0.485 108.438 108.800 0.206 0.000 2.143 362 G HA2 -0.117 3.840 3.960 -0.005 0.000 0.248 362 G HA3 -0.117 3.840 3.960 -0.005 0.000 0.248 362 G C 0.383 175.479 174.900 0.328 0.000 0.991 362 G CA 0.148 45.430 45.100 0.304 0.000 0.689 362 G HN 1.617 nan 8.290 nan 0.000 0.522 363 G N -1.141 107.758 108.800 0.166 0.000 2.225 363 G HA2 0.498 4.455 3.960 -0.005 0.000 0.245 363 G HA3 0.498 4.455 3.960 -0.005 0.000 0.245 363 G C 1.451 176.222 174.900 -0.214 0.000 1.249 363 G CA 1.613 46.470 45.100 -0.404 0.000 0.919 363 G HN 1.903 nan 8.290 nan 0.000 0.486 364 G N 1.548 110.190 108.800 -0.264 0.000 2.259 364 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.217 364 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.217 364 G C 0.646 175.643 174.900 0.161 0.000 1.001 364 G CA 0.317 45.299 45.100 -0.197 0.000 0.627 364 G HN 1.117 nan 8.290 nan 0.000 0.501 365 T N 4.146 118.903 114.554 0.338 0.000 2.853 365 T HA 0.457 4.804 4.350 -0.005 0.000 0.298 365 T C -2.156 172.690 174.700 0.243 0.000 0.978 365 T CA -0.243 62.085 62.100 0.380 0.000 1.152 365 T CB 1.339 70.408 68.868 0.335 0.000 0.914 365 T HN 0.122 nan 8.240 nan 0.000 0.539 366 P HA 0.058 nan 4.420 nan 0.000 0.260 366 P C -0.362 177.020 177.300 0.137 0.000 1.172 366 P CA 0.138 63.337 63.100 0.165 0.000 0.760 366 P CB 0.292 32.090 31.700 0.164 0.000 0.773 367 S N 1.660 117.412 115.700 0.087 0.000 2.576 367 S HA 0.289 4.756 4.470 -0.005 0.000 0.276 367 S C 0.843 175.489 174.600 0.077 0.000 1.339 367 S CA -0.388 57.854 58.200 0.071 0.000 1.039 367 S CB 0.095 63.293 63.200 -0.003 0.000 0.902 367 S HN 0.581 nan 8.310 nan 0.000 0.516 368 T N -0.733 113.881 114.554 0.100 0.000 2.810 368 T HA 0.327 4.674 4.350 -0.005 0.000 0.277 368 T C 1.012 175.734 174.700 0.037 0.000 0.973 368 T CA -0.362 61.803 62.100 0.109 0.000 0.949 368 T CB 0.701 69.696 68.868 0.212 0.000 1.075 368 T HN 0.492 nan 8.240 nan 0.000 0.537 369 S N -1.310 114.399 115.700 0.015 0.000 2.597 369 S HA 0.379 4.846 4.470 -0.005 0.000 0.224 369 S C 1.089 175.578 174.600 -0.186 0.000 0.955 369 S CA -0.517 57.649 58.200 -0.057 0.000 0.933 369 S CB -0.598 62.585 63.200 -0.029 0.000 0.788 369 S HN 1.098 nan 8.310 nan 0.000 0.488 370 G N 3.002 111.605 108.800 -0.328 0.000 2.634 370 G HA2 0.480 4.437 3.960 -0.005 0.000 0.255 370 G HA3 0.480 4.437 3.960 -0.005 0.000 0.255 370 G C -2.441 172.060 174.900 -0.665 0.000 1.205 370 G CA -1.315 43.209 45.100 -0.960 0.000 0.884 370 G HN 0.289 nan 8.290 nan 0.000 0.549 371 P HA 0.394 nan 4.420 nan 0.000 0.276 371 P C -0.421 176.727 177.300 -0.252 0.000 1.252 371 P CA -0.223 62.652 63.100 -0.375 0.000 0.802 371 P CB 1.220 32.727 31.700 -0.321 0.000 1.035 372 A N 1.719 124.447 122.820 -0.153 0.000 2.316 372 A HA 0.456 4.773 4.320 -0.005 0.000 0.284 372 A C -0.421 177.120 177.584 -0.072 0.000 1.115 372 A CA -0.458 51.524 52.037 -0.092 0.000 0.812 372 A CB -0.155 18.793 19.000 -0.087 0.000 1.064 372 A HN 0.568 nan 8.150 nan 0.000 0.489 373 L N 1.995 123.194 121.223 -0.039 0.000 2.309 373 L HA 0.745 5.082 4.340 -0.005 0.000 0.282 373 L C 0.272 177.092 176.870 -0.083 0.000 1.036 373 L CA 0.169 54.989 54.840 -0.033 0.000 0.806 373 L CB 1.248 43.318 42.059 0.018 0.000 1.220 373 L HN 0.868 nan 8.230 nan 0.000 0.429 374 A N 2.944 125.693 122.820 -0.118 0.000 2.322 374 A HA 0.970 5.287 4.320 -0.005 0.000 0.327 374 A C -0.156 177.121 177.584 -0.512 0.000 1.134 374 A CA 0.061 51.970 52.037 -0.212 0.000 0.831 374 A CB 1.272 20.189 19.000 -0.138 0.000 1.288 374 A HN 0.928 nan 8.150 nan 0.000 0.472 375 G N -0.970 107.432 108.800 -0.662 0.000 3.086 375 G HA2 0.522 4.479 3.960 -0.005 0.000 0.282 375 G HA3 0.522 4.479 3.960 -0.005 0.000 0.282 375 G C -0.690 173.712 174.900 -0.829 0.000 1.343 375 G CA -0.711 43.621 45.100 -1.280 0.000 0.895 375 G HN 0.911 nan 8.290 nan 0.000 0.557 376 I N 1.001 121.190 120.570 -0.635 0.000 2.813 376 I HA 0.352 4.519 4.170 -0.005 0.000 0.287 376 I C 1.116 177.068 176.117 -0.274 0.000 1.196 376 I CA 0.144 61.236 61.300 -0.346 0.000 1.421 376 I CB 1.081 38.785 38.000 -0.494 0.000 1.365 376 I HN 0.692 nan 8.210 nan 0.000 0.591 377 T N 1.324 115.756 114.554 -0.203 0.000 2.938 377 T HA 0.352 4.699 4.350 -0.005 0.000 0.285 377 T C 0.268 174.868 174.700 -0.167 0.000 1.028 377 T CA -0.294 61.714 62.100 -0.153 0.000 1.005 377 T CB 1.455 70.270 68.868 -0.089 0.000 1.157 377 T HN 0.643 nan 8.240 nan 0.000 0.550 378 D N -1.551 118.773 120.400 -0.127 0.000 2.340 378 D HA 0.334 4.971 4.640 -0.005 0.000 0.220 378 D C 1.395 177.650 176.300 -0.074 0.000 1.039 378 D CA 0.359 54.287 54.000 -0.121 0.000 0.866 378 D CB -0.205 40.539 40.800 -0.094 0.000 0.913 378 D HN 1.085 nan 8.370 nan 0.000 0.523 379 G N -1.661 107.103 108.800 -0.060 0.000 2.559 379 G HA2 0.073 4.030 3.960 -0.005 0.000 0.202 379 G HA3 0.073 4.030 3.960 -0.005 0.000 0.202 379 G C 0.445 175.334 174.900 -0.019 0.000 0.992 379 G CA -0.263 44.820 45.100 -0.029 0.000 0.764 379 G HN 0.666 nan 8.290 nan 0.000 0.525 385 G N 1.540 110.228 108.800 -0.188 0.000 2.641 385 G HA2 0.423 4.380 3.960 -0.005 0.000 0.239 385 G HA3 0.423 4.380 3.960 -0.005 0.000 0.239 385 G C -2.479 172.196 174.900 -0.376 0.000 1.402 385 G CA -0.670 44.286 45.100 -0.240 0.000 1.046 385 G HN -0.052 nan 8.290 nan 0.000 0.565 386 P HA 0.039 nan 4.420 nan 0.000 0.258 386 P C 0.769 177.473 177.300 -0.993 0.000 1.172 386 P CA 0.366 62.812 63.100 -1.090 0.000 0.762 386 P CB 0.670 31.314 31.700 -1.760 0.000 0.764 387 E N 3.480 123.301 120.200 -0.632 0.000 2.160 387 E HA -0.222 4.125 4.350 -0.005 0.000 0.195 387 E C 1.045 177.514 176.600 -0.219 0.000 0.991 387 E CA 1.117 57.354 56.400 -0.272 0.000 0.810 387 E CB -0.396 29.326 29.700 0.036 0.000 0.742 387 E HN 0.662 nan 8.360 nan 0.000 0.466 388 W N 0.491 121.646 121.300 -0.241 0.000 2.937 388 W HA 0.196 4.853 4.660 -0.004 0.000 0.245 388 W C 0.998 177.447 176.519 -0.116 0.000 1.306 388 W CA -0.079 57.156 57.345 -0.184 0.000 1.470 388 W CB -0.207 29.056 29.460 -0.327 0.000 1.132 388 W HN -0.092 nan 8.180 nan 0.000 0.675 389 L N 1.294 122.161 121.223 -0.592 0.000 2.685 389 L HA 0.417 4.754 4.340 -0.005 0.000 0.233 389 L C 1.436 178.194 176.870 -0.187 0.000 1.173 389 L CA -0.405 54.233 54.840 -0.336 0.000 0.961 389 L CB -1.087 40.691 42.059 -0.468 0.000 1.217 389 L HN 0.088 nan 8.230 nan 0.000 0.478 395 S N -1.050 114.663 115.700 0.022 0.000 2.548 395 S HA 0.396 4.863 4.470 -0.005 0.000 0.215 395 S C 0.430 175.043 174.600 0.021 0.000 0.976 395 S CA 0.543 58.739 58.200 -0.007 0.000 0.908 395 S CB 0.100 63.252 63.200 -0.080 0.000 0.781 395 S HN 0.859 nan 8.310 nan 0.000 0.519 396 V N 2.463 122.412 119.914 0.058 0.000 2.760 396 V HA 0.624 4.741 4.120 -0.005 0.000 0.309 396 V C -0.620 175.539 176.094 0.107 0.000 1.077 396 V CA -1.125 61.216 62.300 0.068 0.000 0.910 396 V CB 1.763 33.593 31.823 0.012 0.000 1.008 396 V HN 0.500 nan 8.190 nan 0.000 0.424 397 I N 1.530 122.159 120.570 0.099 0.000 2.785 397 I HA 0.768 4.935 4.170 -0.005 0.000 0.302 397 I C -2.885 173.163 176.117 -0.115 0.000 1.069 397 I CA -2.882 58.420 61.300 0.003 0.000 1.045 397 I CB 2.317 40.333 38.000 0.027 0.000 1.236 397 I HN 0.340 nan 8.210 nan 0.000 0.429 398 P HA -0.002 nan 4.420 nan 0.000 0.264 398 P C 1.247 178.454 177.300 -0.155 0.000 1.193 398 P CA -0.326 62.609 63.100 -0.275 0.000 0.763 398 P CB 0.793 32.307 31.700 -0.309 0.000 0.810 399 V N 2.344 122.190 119.914 -0.113 0.000 2.317 399 V HA -0.309 3.808 4.120 -0.005 0.000 0.251 399 V C 1.837 177.852 176.094 -0.131 0.000 1.065 399 V CA 2.232 64.495 62.300 -0.061 0.000 1.049 399 V CB -2.143 29.607 31.823 -0.123 0.000 0.651 399 V HN 0.514 nan 8.190 nan 0.000 0.450 400 A N -0.245 122.392 122.820 -0.305 0.000 2.235 400 A HA 0.112 4.429 4.320 -0.005 0.000 0.208 400 A C 1.965 179.542 177.584 -0.011 0.000 1.172 400 A CA 0.411 52.348 52.037 -0.166 0.000 0.786 400 A CB -0.417 18.397 19.000 -0.309 0.000 0.804 400 A HN 0.524 nan 8.150 nan 0.000 0.479 401 R N -0.508 119.927 120.500 -0.109 0.000 2.391 401 R HA 0.092 4.429 4.340 -0.005 0.000 0.249 401 R C 1.468 177.611 176.300 -0.262 0.000 0.957 401 R CA 0.414 56.429 56.100 -0.142 0.000 1.093 401 R CB -0.707 29.504 30.300 -0.149 0.000 1.156 401 R HN 0.389 nan 8.270 nan 0.000 0.526 402 V N 0.450 120.205 119.914 -0.265 0.000 2.332 402 V HA -0.225 3.892 4.120 -0.005 0.000 0.248 402 V C 1.947 177.795 176.094 -0.409 0.000 1.055 402 V CA 1.820 63.878 62.300 -0.404 0.000 1.038 402 V CB 0.031 31.655 31.823 -0.331 0.000 0.651 402 V HN 0.083 nan 8.190 nan 0.000 0.450 403 V N 0.136 119.865 119.914 -0.309 0.000 2.488 403 V HA -0.138 3.979 4.120 -0.005 0.000 0.246 403 V C 2.347 178.278 176.094 -0.271 0.000 1.046 403 V CA 2.048 64.223 62.300 -0.208 0.000 1.053 403 V CB -0.731 31.065 31.823 -0.045 0.000 0.679 403 V HN 0.569 nan 8.190 nan 0.000 0.458 404 D N -0.223 119.994 120.400 -0.305 0.000 2.123 404 D HA -0.242 4.395 4.640 -0.005 0.000 0.196 404 D C 2.054 177.836 176.300 -0.863 0.000 0.992 404 D CA 1.750 55.499 54.000 -0.417 0.000 0.833 404 D CB -0.223 40.399 40.800 -0.296 0.000 0.954 404 D HN 0.405 nan 8.370 nan 0.000 0.455 405 M N 0.186 119.078 119.600 -1.180 0.000 2.080 405 M HA -0.177 4.300 4.480 -0.005 0.000 0.260 405 M C 2.077 178.010 176.300 -0.611 0.000 1.068 405 M CA 1.335 55.873 55.300 -1.269 0.000 1.109 405 M CB -0.066 32.074 32.600 -0.766 0.000 1.342 405 M HN -0.025 nan 8.290 nan 0.000 0.405 406 L N -0.106 120.835 121.223 -0.470 0.000 2.046 406 L HA -0.218 4.119 4.340 -0.005 0.000 0.208 406 L C 2.263 178.988 176.870 -0.242 0.000 1.077 406 L CA 1.570 56.209 54.840 -0.336 0.000 0.747 406 L CB -0.763 41.092 42.059 -0.340 0.000 0.896 406 L HN 0.415 nan 8.230 nan 0.000 0.432 407 E N -0.226 119.836 120.200 -0.231 0.000 2.216 407 E HA -0.048 4.299 4.350 -0.005 0.000 0.192 407 E C 0.302 176.834 176.600 -0.113 0.000 0.988 407 E CA 0.487 56.801 56.400 -0.144 0.000 0.834 407 E CB 0.181 29.811 29.700 -0.116 0.000 0.772 407 E HN 0.478 nan 8.360 nan 0.000 0.479 408 N N 1.476 120.085 118.700 -0.152 0.000 2.757 408 N HA 0.171 4.908 4.740 -0.005 0.000 0.296 408 N C -2.756 172.779 175.510 0.042 0.000 1.874 408 N CA -1.004 52.029 53.050 -0.028 0.000 0.885 408 N CB 1.322 39.844 38.487 0.058 0.000 1.242 408 N HN 0.029 nan 8.380 nan 0.000 0.488 409 P HA 0.045 nan 4.420 nan 0.000 0.265 409 P C 1.106 178.481 177.300 0.125 0.000 1.193 409 P CA 0.963 64.100 63.100 0.062 0.000 0.765 409 P CB 0.709 32.410 31.700 0.003 0.000 0.823 410 G N 1.513 110.417 108.800 0.173 0.000 2.212 410 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.266 410 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.266 410 G C 0.461 175.444 174.900 0.139 0.000 0.978 410 G CA 0.238 45.418 45.100 0.132 0.000 0.632 410 G HN 0.900 nan 8.290 nan 0.000 0.537 411 A N 0.045 123.001 122.820 0.226 0.000 2.332 411 A HA 0.624 4.941 4.320 -0.005 0.000 0.258 411 A C 0.494 178.134 177.584 0.094 0.000 1.087 411 A CA 0.052 52.203 52.037 0.189 0.000 0.802 411 A CB 0.382 19.540 19.000 0.262 0.000 1.042 411 A HN 0.435 nan 8.150 nan 0.000 0.489 412 E N -0.392 119.814 120.200 0.009 0.000 2.319 412 E HA 0.525 4.872 4.350 -0.005 0.000 0.268 412 E C -1.192 175.342 176.600 -0.110 0.000 1.050 412 E CA 0.034 56.358 56.400 -0.127 0.000 0.878 412 E CB 1.226 30.868 29.700 -0.096 0.000 1.066 412 E HN 0.531 nan 8.360 nan 0.000 0.406 413 F N -1.169 118.596 119.950 -0.309 0.000 2.613 413 F HA 0.460 4.984 4.527 -0.005 0.000 0.310 413 F C -0.757 174.970 175.800 -0.123 0.000 1.085 413 F CA -1.216 56.631 58.000 -0.256 0.000 0.945 413 F CB 1.187 39.917 39.000 -0.449 0.000 1.298 413 F HN 0.094 nan 8.300 nan 0.000 0.455 414 D N 1.721 122.194 120.400 0.121 0.000 2.253 414 D HA 0.444 5.081 4.640 -0.005 0.000 0.249 414 D C -1.614 174.858 176.300 0.287 0.000 1.049 414 D CA 0.169 54.219 54.000 0.083 0.000 0.929 414 D CB 2.480 43.262 40.800 -0.030 0.000 1.176 414 D HN 0.617 nan 8.370 nan 0.000 0.437 415 F N 1.926 121.920 119.950 0.074 0.000 2.881 415 F HA 0.125 4.649 4.527 -0.005 0.000 0.348 415 F C -0.201 175.676 175.800 0.128 0.000 1.240 415 F CA -0.753 57.318 58.000 0.118 0.000 1.130 415 F CB 0.538 39.671 39.000 0.222 0.000 1.417 415 F HN 0.218 nan 8.300 nan 0.000 0.585 416 N N 4.275 122.676 118.700 -0.498 0.000 2.714 416 N HA -0.170 4.567 4.740 -0.005 0.000 0.252 416 N C 0.867 176.351 175.510 -0.045 0.000 1.014 416 N CA 2.148 54.993 53.050 -0.340 0.000 0.735 416 N CB -0.944 37.155 38.487 -0.647 0.000 0.924 416 N HN 1.796 nan 8.380 nan 0.000 0.540 417 G N -2.455 106.412 108.800 0.110 0.000 2.176 417 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.253 417 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.253 417 G C 0.197 175.118 174.900 0.034 0.000 0.979 417 G CA 1.276 46.387 45.100 0.018 0.000 0.641 417 G HN 1.402 nan 8.290 nan 0.000 0.530 418 T N -2.520 112.079 114.554 0.074 0.000 2.930 418 T HA 0.799 5.146 4.350 -0.005 0.000 0.290 418 T C -0.334 174.360 174.700 -0.009 0.000 1.052 418 T CA -0.878 61.239 62.100 0.028 0.000 1.017 418 T CB 2.712 71.599 68.868 0.032 0.000 1.137 418 T HN 0.316 nan 8.240 nan 0.000 0.511 419 R N 0.785 121.229 120.500 -0.094 0.000 2.562 419 R HA 0.741 5.078 4.340 -0.005 0.000 0.298 419 R C -0.898 175.192 176.300 -0.349 0.000 0.961 419 R CA -0.623 55.351 56.100 -0.209 0.000 0.881 419 R CB 2.267 32.484 30.300 -0.137 0.000 1.159 419 R HN 0.821 nan 8.270 nan 0.000 0.450 420 S N 1.230 116.515 115.700 -0.693 0.000 2.697 420 S HA 0.502 4.969 4.470 -0.005 0.000 0.289 420 S C -1.119 173.063 174.600 -0.698 0.000 1.149 420 S CA -0.861 56.924 58.200 -0.691 0.000 0.850 420 S CB 2.441 65.170 63.200 -0.786 0.000 1.151 420 S HN 0.354 nan 8.310 nan 0.000 0.491 421 K N 0.526 120.715 120.400 -0.351 0.000 2.207 421 K HA 0.506 4.823 4.320 -0.005 0.000 0.255 421 K C -1.326 175.298 176.600 0.041 0.000 0.941 421 K CA -0.520 55.670 56.287 -0.160 0.000 0.825 421 K CB 0.928 33.399 32.500 -0.048 0.000 1.119 421 K HN 0.351 nan 8.250 nan 0.000 0.430 422 F N 3.736 123.818 119.950 0.220 0.000 2.484 422 F HA 0.149 4.673 4.527 -0.005 0.000 0.360 422 F C -1.505 174.347 175.800 0.087 0.000 1.101 422 F CA -1.850 56.262 58.000 0.187 0.000 1.251 422 F CB 0.061 39.125 39.000 0.107 0.000 1.132 422 F HN 0.346 nan 8.300 nan 0.000 0.570 423 P HA 0.050 nan 4.420 nan 0.000 0.276 423 P C -0.870 176.484 177.300 0.091 0.000 1.252 423 P CA -0.353 62.839 63.100 0.153 0.000 0.802 423 P CB 0.867 32.651 31.700 0.139 0.000 1.035 424 D N 0.812 121.240 120.400 0.047 0.000 2.499 424 D HA 0.220 4.857 4.640 -0.005 0.000 0.225 424 D C -0.645 175.609 176.300 -0.077 0.000 1.124 424 D CA -0.444 53.544 54.000 -0.019 0.000 0.938 424 D CB -0.285 40.511 40.800 -0.006 0.000 1.014 424 D HN -0.110 nan 8.370 nan 0.000 0.517 425 V N 4.687 124.542 119.914 -0.098 0.000 2.583 425 V HA 0.196 4.313 4.120 -0.005 0.000 0.287 425 V C 1.287 177.263 176.094 -0.196 0.000 1.051 425 V CA -0.131 62.106 62.300 -0.106 0.000 1.010 425 V CB 1.627 33.395 31.823 -0.091 0.000 0.988 425 V HN 0.389 nan 8.190 nan 0.000 0.478 426 K N 3.351 123.628 120.400 -0.205 0.000 2.425 426 K HA 0.382 4.700 4.320 -0.005 0.000 0.201 426 K C -0.061 176.489 176.600 -0.084 0.000 1.128 426 K CA 0.297 56.437 56.287 -0.246 0.000 1.000 426 K CB 0.918 33.105 32.500 -0.521 0.000 0.961 426 K HN 0.677 nan 8.250 nan 0.000 0.555 427 M N 0.193 119.793 119.600 0.001 0.000 2.484 427 M HA 0.575 5.052 4.480 -0.005 0.000 0.289 427 M C -1.997 174.402 176.300 0.164 0.000 1.206 427 M CA -0.661 54.696 55.300 0.096 0.000 0.892 427 M CB 2.528 35.222 32.600 0.156 0.000 1.712 427 M HN -0.047 nan 8.290 nan 0.000 0.462 428 A N 2.827 125.806 122.820 0.265 0.000 2.414 428 A HA 0.749 5.066 4.320 -0.005 0.000 0.306 428 A C -2.449 175.480 177.584 0.574 0.000 1.054 428 A CA -0.396 51.910 52.037 0.449 0.000 0.724 428 A CB 1.417 20.703 19.000 0.477 0.000 1.267 428 A HN 0.801 nan 8.150 nan 0.000 0.418 429 Y N 2.069 122.568 120.300 0.332 0.000 2.326 429 Y HA 0.544 5.091 4.550 -0.004 0.000 0.329 429 Y C -1.348 174.670 175.900 0.198 0.000 0.973 429 Y CA -1.486 56.743 58.100 0.216 0.000 1.162 429 Y CB 1.068 39.576 38.460 0.081 0.000 1.147 429 Y HN 0.699 nan 8.280 nan 0.000 0.456 430 W N 7.938 129.478 121.300 0.401 0.000 2.600 430 W HA 0.656 5.313 4.660 -0.004 0.000 0.325 430 W C -1.417 175.214 176.519 0.186 0.000 1.034 430 W CA -0.819 56.719 57.345 0.322 0.000 1.226 430 W CB 1.815 31.529 29.460 0.423 0.000 1.379 430 W HN 0.426 nan 8.180 nan 0.000 0.466 431 V N 1.479 121.600 119.914 0.345 0.000 2.841 431 V HA 0.867 4.984 4.120 -0.005 0.000 0.310 431 V C 0.404 176.670 176.094 0.286 0.000 1.090 431 V CA -0.311 62.135 62.300 0.243 0.000 0.930 431 V CB 1.198 33.087 31.823 0.110 0.000 1.014 431 V HN 1.039 nan 8.190 nan 0.000 0.425 432 G N 1.486 110.436 108.800 0.250 0.000 2.225 432 G HA2 0.239 4.196 3.960 -0.005 0.000 0.267 432 G HA3 0.239 4.196 3.960 -0.005 0.000 0.267 432 G C 0.592 175.675 174.900 0.306 0.000 1.024 432 G CA 0.532 45.771 45.100 0.231 0.000 0.784 432 G HN 2.349 nan 8.290 nan 0.000 0.507 433 G N -1.261 107.780 108.800 0.401 0.000 2.677 433 G HA2 0.574 4.531 3.960 -0.005 0.000 0.291 433 G HA3 0.574 4.531 3.960 -0.005 0.000 0.291 433 G C -1.120 173.909 174.900 0.215 0.000 1.435 433 G CA -0.129 45.258 45.100 0.479 0.000 0.826 433 G HN 0.699 nan 8.290 nan 0.000 0.491 434 N N 0.718 119.490 118.700 0.119 0.000 2.726 434 N HA 0.336 5.073 4.740 -0.005 0.000 0.253 434 N C -1.659 173.515 175.510 -0.561 0.000 1.530 434 N CA -1.749 51.202 53.050 -0.165 0.000 0.772 434 N CB 2.147 40.606 38.487 -0.046 0.000 1.220 434 N HN 0.150 nan 8.380 nan 0.000 0.508 435 P HA -0.076 nan 4.420 nan 0.000 0.222 435 P C 0.860 177.527 177.300 -1.054 0.000 1.147 435 P CA 0.802 62.949 63.100 -1.589 0.000 0.790 435 P CB -0.011 30.719 31.700 -1.615 0.000 0.780 436 F N -0.851 118.651 119.950 -0.746 0.000 2.816 436 F HA -0.003 4.521 4.527 -0.005 0.000 0.302 436 F C 1.982 177.540 175.800 -0.404 0.000 1.178 436 F CA 0.510 58.142 58.000 -0.613 0.000 1.421 436 F CB -0.087 38.561 39.000 -0.586 0.000 1.114 436 F HN -0.231 nan 8.300 nan 0.000 0.573 437 V N -1.711 118.059 119.914 -0.239 0.000 3.159 437 V HA -0.102 4.015 4.120 -0.005 0.000 0.234 437 V C 2.142 178.171 176.094 -0.109 0.000 1.313 437 V CA 0.784 63.028 62.300 -0.093 0.000 1.271 437 V CB -0.341 31.512 31.823 0.050 0.000 1.053 437 V HN 0.400 nan 8.190 nan 0.000 0.476 438 H N -0.348 118.612 119.070 -0.184 0.000 2.482 438 H HA 0.020 4.573 4.556 -0.005 0.000 0.286 438 H C 1.084 176.229 175.328 -0.305 0.000 1.017 438 H CA 0.581 56.472 56.048 -0.262 0.000 1.322 438 H CB 0.149 29.706 29.762 -0.341 0.000 1.426 438 H HN 0.514 nan 8.280 nan 0.000 0.546 439 H N 1.433 120.344 119.070 -0.265 0.000 2.505 439 H HA 0.192 4.746 4.556 -0.005 0.000 0.351 439 H C -0.377 174.867 175.328 -0.141 0.000 1.151 439 H CA -0.519 55.456 56.048 -0.120 0.000 1.339 439 H CB 1.129 30.760 29.762 -0.219 0.000 1.483 439 H HN 0.196 nan 8.280 nan 0.000 0.558 440 Q N 1.468 120.766 119.800 -0.837 0.000 2.312 440 Q HA 0.191 4.528 4.340 -0.005 0.000 0.236 440 Q C -0.460 175.293 176.000 -0.412 0.000 0.965 440 Q CA -0.085 55.418 55.803 -0.500 0.000 0.894 440 Q CB 0.431 28.946 28.738 -0.371 0.000 1.225 440 Q HN 0.771 nan 8.270 nan 0.000 0.478 441 D N 0.299 120.549 120.400 -0.250 0.000 3.082 441 D HA -0.187 4.450 4.640 -0.005 0.000 0.234 441 D C 0.552 176.735 176.300 -0.195 0.000 1.159 441 D CA 0.280 54.172 54.000 -0.180 0.000 0.875 441 D CB -0.186 40.533 40.800 -0.134 0.000 0.946 441 D HN 0.637 nan 8.370 nan 0.000 0.411 442 R N 1.816 122.166 120.500 -0.250 0.000 2.103 442 R HA -0.097 4.240 4.340 -0.005 0.000 0.242 442 R C 1.888 178.046 176.300 -0.236 0.000 1.142 442 R CA 2.243 58.135 56.100 -0.347 0.000 0.960 442 R CB -0.231 29.744 30.300 -0.543 0.000 0.858 442 R HN 0.413 nan 8.270 nan 0.000 0.439 443 N N 0.153 118.772 118.700 -0.136 0.000 2.166 443 N HA -0.175 4.562 4.740 -0.005 0.000 0.186 443 N C 1.725 177.212 175.510 -0.040 0.000 1.019 443 N CA 1.265 54.285 53.050 -0.050 0.000 0.856 443 N CB -0.305 38.176 38.487 -0.011 0.000 0.993 443 N HN 0.306 nan 8.380 nan 0.000 0.426 444 R N 0.931 121.398 120.500 -0.056 0.000 2.081 444 R HA -0.026 4.311 4.340 -0.005 0.000 0.235 444 R C 2.296 178.578 176.300 -0.031 0.000 1.131 444 R CA 1.066 57.145 56.100 -0.035 0.000 0.960 444 R CB -0.192 30.084 30.300 -0.039 0.000 0.856 444 R HN 0.173 nan 8.270 nan 0.000 0.436 445 M N 0.237 119.789 119.600 -0.079 0.000 2.117 445 M HA -0.142 4.335 4.480 -0.005 0.000 0.262 445 M C 1.852 178.101 176.300 -0.085 0.000 1.065 445 M CA 1.542 56.770 55.300 -0.120 0.000 1.114 445 M CB 0.068 32.471 32.600 -0.327 0.000 1.361 445 M HN 0.088 nan 8.290 nan 0.000 0.408 446 V N 1.171 121.038 119.914 -0.078 0.000 2.332 446 V HA -0.294 3.823 4.120 -0.005 0.000 0.248 446 V C 2.417 178.592 176.094 0.134 0.000 1.055 446 V CA 2.284 64.625 62.300 0.067 0.000 1.038 446 V CB -0.795 31.087 31.823 0.098 0.000 0.651 446 V HN 0.524 nan 8.190 nan 0.000 0.450 447 K N 0.935 121.386 120.400 0.084 0.000 2.062 447 K HA -0.009 4.308 4.320 -0.005 0.000 0.205 447 K C 2.034 178.687 176.600 0.089 0.000 1.051 447 K CA 1.665 58.001 56.287 0.082 0.000 0.941 447 K CB -0.673 31.854 32.500 0.046 0.000 0.719 447 K HN 0.347 nan 8.250 nan 0.000 0.440 448 A N 0.246 123.115 122.820 0.081 0.000 1.972 448 A HA -0.162 4.155 4.320 -0.005 0.000 0.219 448 A C 2.100 179.741 177.584 0.095 0.000 1.169 448 A CA 1.249 53.321 52.037 0.058 0.000 0.635 448 A CB -1.122 17.897 19.000 0.033 0.000 0.810 448 A HN 0.639 nan 8.150 nan 0.000 0.446 449 W N 0.785 122.026 121.300 -0.098 0.000 2.538 449 W HA -0.100 4.557 4.660 -0.005 0.000 0.254 449 W C 1.405 177.906 176.519 -0.029 0.000 1.249 449 W CA 1.259 58.550 57.345 -0.089 0.000 1.253 449 W CB 0.042 29.485 29.460 -0.029 0.000 1.130 449 W HN 0.595 nan 8.180 nan 0.000 0.618 450 E N -0.031 120.258 120.200 0.148 0.000 2.338 450 E HA -0.190 4.157 4.350 -0.005 0.000 0.197 450 E C 2.024 178.632 176.600 0.014 0.000 1.007 450 E CA 0.499 56.953 56.400 0.090 0.000 0.849 450 E CB -0.170 29.580 29.700 0.084 0.000 0.774 450 E HN 0.110 nan 8.360 nan 0.000 0.506 451 K N 0.895 121.265 120.400 -0.050 0.000 2.288 451 K HA -0.037 4.280 4.320 -0.005 0.000 0.201 451 K C 0.403 176.924 176.600 -0.132 0.000 1.048 451 K CA 0.282 56.512 56.287 -0.096 0.000 0.956 451 K CB 0.064 32.479 32.500 -0.142 0.000 0.746 451 K HN 0.119 nan 8.250 nan 0.000 0.461 452 L N 1.563 122.680 121.223 -0.177 0.000 2.331 452 L HA 0.098 4.435 4.340 -0.005 0.000 0.278 452 L C 1.370 178.230 176.870 -0.017 0.000 1.106 452 L CA -0.236 54.503 54.840 -0.168 0.000 0.824 452 L CB 1.151 43.019 42.059 -0.318 0.000 1.142 452 L HN 0.070 nan 8.230 nan 0.000 0.443 453 E N 0.966 121.183 120.200 0.028 0.000 2.072 453 E HA -0.031 4.316 4.350 -0.005 0.000 0.190 453 E C -0.191 176.554 176.600 0.243 0.000 0.982 453 E CA 0.957 57.440 56.400 0.139 0.000 0.803 453 E CB 0.250 30.042 29.700 0.154 0.000 0.755 453 E HN 0.618 nan 8.360 nan 0.000 0.453 454 T N 0.249 114.913 114.554 0.184 0.000 2.921 454 T HA 0.390 4.737 4.350 -0.005 0.000 0.297 454 T C -1.511 173.289 174.700 0.167 0.000 1.013 454 T CA -0.606 61.580 62.100 0.143 0.000 0.990 454 T CB 1.552 70.525 68.868 0.176 0.000 1.023 454 T HN -0.051 nan 8.240 nan 0.000 0.447 455 F N 3.904 123.810 119.950 -0.074 0.000 2.553 455 F HA 0.671 5.195 4.527 -0.005 0.000 0.335 455 F C -1.344 174.427 175.800 -0.048 0.000 1.148 455 F CA -1.352 56.675 58.000 0.046 0.000 0.963 455 F CB 0.929 40.073 39.000 0.240 0.000 1.217 455 F HN 0.321 nan 8.300 nan 0.000 0.441 456 V N 6.424 126.133 119.914 -0.341 0.000 2.459 456 V HA 0.725 4.842 4.120 -0.005 0.000 0.295 456 V C -0.647 175.099 176.094 -0.579 0.000 1.029 456 V CA -0.824 61.133 62.300 -0.571 0.000 0.874 456 V CB 1.630 32.910 31.823 -0.904 0.000 0.985 456 V HN 0.547 nan 8.190 nan 0.000 0.438 457 V N 4.030 123.698 119.914 -0.409 0.000 2.789 457 V HA 0.534 4.651 4.120 -0.005 0.000 0.311 457 V C -0.843 175.281 176.094 0.050 0.000 1.073 457 V CA -0.703 61.478 62.300 -0.199 0.000 0.921 457 V CB 2.174 33.808 31.823 -0.316 0.000 1.009 457 V HN 0.972 nan 8.190 nan 0.000 0.426 458 H N 2.598 121.670 119.070 0.003 0.000 2.538 458 H HA 0.743 5.296 4.556 -0.005 0.000 0.353 458 H C -1.114 174.189 175.328 -0.041 0.000 1.109 458 H CA -0.765 55.273 56.048 -0.017 0.000 1.192 458 H CB 2.510 32.303 29.762 0.052 0.000 1.555 458 H HN 0.634 nan 8.280 nan 0.000 0.518 459 D N 1.551 121.952 120.400 0.000 0.000 2.710 459 D HA 0.001 4.638 4.640 -0.005 0.000 0.276 459 D C -0.708 175.520 176.300 -0.119 0.000 1.267 459 D CA -0.546 53.381 54.000 -0.121 0.000 0.772 459 D CB 1.442 42.094 40.800 -0.246 0.000 1.299 459 D HN 0.453 nan 8.370 nan 0.000 0.421 460 F N -0.501 119.418 119.950 -0.051 0.000 2.682 460 F HA 0.480 5.004 4.527 -0.005 0.000 0.308 460 F C 0.464 176.219 175.800 -0.076 0.000 1.093 460 F CA -0.217 57.742 58.000 -0.068 0.000 1.244 460 F CB 0.318 39.319 39.000 0.002 0.000 1.052 460 F HN -0.086 nan 8.300 nan 0.000 0.573 461 Q N 0.157 119.811 119.800 -0.244 0.000 2.377 461 Q HA 0.168 4.505 4.340 -0.005 0.000 0.271 461 Q C -1.611 174.252 176.000 -0.229 0.000 1.077 461 Q CA -0.548 55.222 55.803 -0.055 0.000 0.820 461 Q CB 1.936 30.760 28.738 0.144 0.000 1.347 461 Q HN 0.493 nan 8.270 nan 0.000 0.444 462 W N 2.910 124.157 121.300 -0.089 0.000 1.564 462 W HA 0.056 4.713 4.660 -0.004 0.000 0.480 462 W C 0.922 177.141 176.519 -0.500 0.000 0.699 462 W CA -0.071 57.145 57.345 -0.215 0.000 1.985 462 W CB 0.035 29.428 29.460 -0.111 0.000 1.738 462 W HN 0.420 nan 8.180 nan 0.000 0.218 463 T N -1.166 113.081 114.554 -0.513 0.000 2.754 463 T HA 0.167 4.514 4.350 -0.005 0.000 0.286 463 T C -1.549 172.879 174.700 -0.453 0.000 0.997 463 T CA -1.419 60.115 62.100 -0.944 0.000 0.982 463 T CB 1.201 69.643 68.868 -0.709 0.000 1.027 463 T HN -0.054 nan 8.240 nan 0.000 0.529 464 P HA -0.044 nan 4.420 nan 0.000 0.218 464 P C 1.544 178.800 177.300 -0.073 0.000 1.148 464 P CA 1.050 64.092 63.100 -0.097 0.000 0.822 464 P CB -0.207 31.506 31.700 0.022 0.000 0.784 465 T N -0.762 113.718 114.554 -0.122 0.000 2.737 465 T HA -0.087 4.260 4.350 -0.005 0.000 0.265 465 T C 1.908 176.590 174.700 -0.029 0.000 1.038 465 T CA 1.571 63.648 62.100 -0.039 0.000 1.144 465 T CB -0.905 67.960 68.868 -0.005 0.000 0.866 465 T HN 0.032 nan 8.240 nan 0.000 0.434 466 A N 1.739 124.503 122.820 -0.094 0.000 1.933 466 A HA -0.091 4.226 4.320 -0.005 0.000 0.218 466 A C 2.334 180.002 177.584 0.141 0.000 1.175 466 A CA 1.266 53.239 52.037 -0.107 0.000 0.628 466 A CB -0.473 18.334 19.000 -0.321 0.000 0.814 466 A HN 0.397 nan 8.150 nan 0.000 0.444 467 R N -1.456 119.176 120.500 0.219 0.000 2.152 467 R HA -0.129 4.208 4.340 -0.005 0.000 0.232 467 R C 1.345 177.705 176.300 0.100 0.000 1.117 467 R CA 1.519 57.777 56.100 0.264 0.000 0.981 467 R CB -0.341 29.984 30.300 0.043 0.000 0.870 467 R HN 0.691 nan 8.270 nan 0.000 0.451 468 H N -0.562 118.462 119.070 -0.078 0.000 2.539 468 H HA 0.273 4.826 4.556 -0.005 0.000 0.269 468 H C 0.224 175.652 175.328 0.167 0.000 0.980 468 H CA 0.147 56.104 56.048 -0.153 0.000 1.152 468 H CB 0.364 29.610 29.762 -0.861 0.000 1.407 468 H HN 0.185 nan 8.280 nan 0.000 0.564 469 A N 0.063 123.041 122.820 0.263 0.000 2.332 469 A HA 0.093 4.410 4.320 -0.005 0.000 0.258 469 A C 0.797 178.482 177.584 0.169 0.000 1.087 469 A CA -0.347 51.767 52.037 0.129 0.000 0.802 469 A CB 0.558 19.457 19.000 -0.168 0.000 1.042 469 A HN 0.284 nan 8.150 nan 0.000 0.489 470 D N -0.208 120.191 120.400 -0.001 0.000 2.216 470 D HA 0.119 4.756 4.640 -0.005 0.000 0.208 470 D C 0.066 176.269 176.300 -0.163 0.000 0.960 470 D CA 1.429 55.317 54.000 -0.187 0.000 0.861 470 D CB 0.167 40.535 40.800 -0.720 0.000 0.985 470 D HN 0.483 nan 8.370 nan 0.000 0.493 471 I N 1.239 121.688 120.570 -0.202 0.000 2.478 471 I HA 0.194 4.361 4.170 -0.005 0.000 0.287 471 I C -0.966 175.041 176.117 -0.183 0.000 1.042 471 I CA -0.699 60.505 61.300 -0.159 0.000 1.067 471 I CB 2.837 40.715 38.000 -0.204 0.000 1.233 471 I HN -0.398 nan 8.210 nan 0.000 0.431 472 V N 7.210 127.011 119.914 -0.189 0.000 2.448 472 V HA 0.510 4.627 4.120 -0.005 0.000 0.295 472 V C -0.209 175.688 176.094 -0.328 0.000 1.025 472 V CA -0.518 61.603 62.300 -0.297 0.000 0.859 472 V CB 1.879 33.415 31.823 -0.478 0.000 0.988 472 V HN 0.471 nan 8.190 nan 0.000 0.431 473 L N 6.978 128.033 121.223 -0.280 0.000 2.333 473 L HA 0.546 4.883 4.340 -0.005 0.000 0.280 473 L C -2.479 174.249 176.870 -0.236 0.000 1.004 473 L CA -1.821 52.823 54.840 -0.327 0.000 0.820 473 L CB 2.783 44.665 42.059 -0.294 0.000 1.247 473 L HN 0.403 nan 8.230 nan 0.000 0.416 474 P HA 0.204 nan 4.420 nan 0.000 0.281 474 P C -0.693 176.662 177.300 0.093 0.000 1.286 474 P CA -0.110 62.944 63.100 -0.076 0.000 0.772 474 P CB 1.466 33.120 31.700 -0.077 0.000 0.862 475 A N 4.207 127.079 122.820 0.086 0.000 2.264 475 A HA 0.645 4.962 4.320 -0.005 0.000 0.304 475 A C 0.667 178.339 177.584 0.147 0.000 1.100 475 A CA -0.273 51.844 52.037 0.134 0.000 0.839 475 A CB 0.068 19.197 19.000 0.215 0.000 1.121 475 A HN 0.579 nan 8.150 nan 0.000 0.496 476 T N -0.957 113.634 114.554 0.061 0.000 2.902 476 T HA 0.569 4.916 4.350 -0.005 0.000 0.280 476 T C 0.588 175.185 174.700 -0.171 0.000 0.992 476 T CA 0.111 62.177 62.100 -0.058 0.000 1.015 476 T CB 0.809 69.611 68.868 -0.110 0.000 1.044 476 T HN 1.070 nan 8.240 nan 0.000 0.520 477 T N -0.980 113.307 114.554 -0.444 0.000 2.788 477 T HA 0.286 4.634 4.350 -0.005 0.000 0.280 477 T C 1.490 175.866 174.700 -0.540 0.000 0.984 477 T CA -0.520 61.155 62.100 -0.708 0.000 0.972 477 T CB 0.398 68.782 68.868 -0.805 0.000 1.039 477 T HN 0.477 nan 8.240 nan 0.000 0.530 478 S N 0.002 115.251 115.700 -0.751 0.000 2.419 478 S HA -0.055 4.412 4.470 -0.005 0.000 0.233 478 S C 1.395 175.631 174.600 -0.606 0.000 1.016 478 S CA 0.957 58.748 58.200 -0.682 0.000 0.974 478 S CB -0.713 62.053 63.200 -0.722 0.000 0.786 478 S HN 0.759 nan 8.310 nan 0.000 0.492 479 Y N 1.318 121.588 120.300 -0.051 0.000 2.583 479 Y HA 0.168 4.715 4.550 -0.005 0.000 0.293 479 Y C 1.552 177.426 175.900 -0.044 0.000 1.157 479 Y CA -0.081 58.016 58.100 -0.005 0.000 1.315 479 Y CB -0.574 37.939 38.460 0.088 0.000 1.021 479 Y HN 0.309 nan 8.280 nan 0.000 0.536 480 E N 0.763 120.917 120.200 -0.076 0.000 2.499 480 E HA 0.188 4.535 4.350 -0.005 0.000 0.199 480 E C 0.290 176.832 176.600 -0.096 0.000 1.016 480 E CA -0.249 56.108 56.400 -0.071 0.000 0.933 480 E CB 0.400 30.035 29.700 -0.108 0.000 1.050 480 E HN 0.390 nan 8.360 nan 0.000 0.462 481 R N -0.936 119.497 120.500 -0.111 0.000 2.762 481 R HA 0.401 4.738 4.340 -0.005 0.000 0.271 481 R C -1.213 175.086 176.300 -0.001 0.000 1.038 481 R CA -0.913 55.121 56.100 -0.111 0.000 0.906 481 R CB 0.748 30.826 30.300 -0.370 0.000 1.259 481 R HN -0.189 nan 8.270 nan 0.000 0.457 482 N N -0.035 118.737 118.700 0.119 0.000 2.384 482 N HA 0.442 5.179 4.740 -0.005 0.000 0.301 482 N C -1.353 174.359 175.510 0.338 0.000 1.133 482 N CA -0.252 52.952 53.050 0.257 0.000 0.853 482 N CB 1.738 40.418 38.487 0.321 0.000 1.241 482 N HN 0.538 nan 8.380 nan 0.000 0.502 483 D N 0.133 120.759 120.400 0.377 0.000 2.779 483 D HA 0.480 5.117 4.640 -0.005 0.000 0.331 483 D C -1.382 175.150 176.300 0.387 0.000 1.331 483 D CA -0.392 53.816 54.000 0.346 0.000 0.866 483 D CB 2.211 43.172 40.800 0.269 0.000 1.409 483 D HN 0.371 nan 8.370 nan 0.000 0.486 484 I N 0.700 121.465 120.570 0.325 0.000 2.752 484 I HA 0.543 4.710 4.170 -0.005 0.000 0.295 484 I C -1.782 174.452 176.117 0.195 0.000 1.219 484 I CA -0.355 61.152 61.300 0.345 0.000 1.030 484 I CB 2.051 40.368 38.000 0.529 0.000 1.259 484 I HN 0.344 nan 8.210 nan 0.000 0.423 485 E N 3.385 123.669 120.200 0.139 0.000 2.407 485 E HA 0.438 4.786 4.350 -0.005 0.000 0.279 485 E C -1.489 175.143 176.600 0.053 0.000 1.012 485 E CA -0.426 56.009 56.400 0.058 0.000 0.800 485 E CB 2.144 31.841 29.700 -0.006 0.000 1.276 485 E HN 0.526 nan 8.360 nan 0.000 0.452 486 T N 2.401 116.980 114.554 0.041 0.000 2.919 486 T HA 0.411 4.758 4.350 -0.005 0.000 0.302 486 T C 0.221 174.940 174.700 0.031 0.000 1.031 486 T CA -0.027 62.107 62.100 0.056 0.000 1.127 486 T CB 0.059 68.964 68.868 0.063 0.000 0.952 486 T HN 0.290 nan 8.240 nan 0.000 0.540 487 I N 2.642 123.233 120.570 0.035 0.000 2.307 487 I HA 0.501 4.668 4.170 -0.005 0.000 0.289 487 I C 0.783 176.947 176.117 0.080 0.000 1.021 487 I CA -0.025 61.293 61.300 0.029 0.000 1.224 487 I CB 0.790 38.793 38.000 0.004 0.000 1.376 487 I HN 0.891 nan 8.210 nan 0.000 0.470 488 G N 4.759 113.605 108.800 0.077 0.000 3.035 488 G HA2 -0.158 3.799 3.960 -0.005 0.000 0.674 488 G HA3 -0.158 3.799 3.960 -0.005 0.000 0.674 488 G C 0.066 175.007 174.900 0.068 0.000 1.159 488 G CA -0.736 44.424 45.100 0.100 0.000 1.098 488 G HN 0.722 nan 8.290 nan 0.000 0.473 489 D N 0.410 120.819 120.400 0.014 0.000 2.149 489 D HA -0.139 4.498 4.640 -0.005 0.000 0.198 489 D C 1.516 177.665 176.300 -0.251 0.000 0.990 489 D CA 2.006 55.925 54.000 -0.136 0.000 0.839 489 D CB 0.290 40.925 40.800 -0.275 0.000 0.948 489 D HN 0.648 nan 8.370 nan 0.000 0.460 490 Y N -0.061 120.292 120.300 0.087 0.000 2.559 490 Y HA -0.005 4.542 4.550 -0.005 0.000 0.279 490 Y C 2.650 178.582 175.900 0.054 0.000 1.117 490 Y CA 0.423 58.559 58.100 0.060 0.000 1.263 490 Y CB -0.218 38.280 38.460 0.063 0.000 1.230 490 Y HN -0.094 nan 8.280 nan 0.000 0.528 491 S N -0.059 115.788 115.700 0.245 0.000 2.414 491 S HA -0.117 4.350 4.470 -0.005 0.000 0.227 491 S C 1.025 175.725 174.600 0.167 0.000 1.022 491 S CA 0.756 59.071 58.200 0.193 0.000 0.958 491 S CB -0.566 62.756 63.200 0.203 0.000 0.797 491 S HN 0.487 nan 8.310 nan 0.000 0.493 492 N N 1.042 119.837 118.700 0.157 0.000 2.714 492 N HA -0.141 4.596 4.740 -0.005 0.000 0.253 492 N C 0.397 176.073 175.510 0.277 0.000 1.024 492 N CA 0.940 54.106 53.050 0.194 0.000 0.726 492 N CB -1.989 36.590 38.487 0.154 0.000 0.908 492 N HN 0.515 nan 8.380 nan 0.000 0.542 493 T N -1.502 113.175 114.554 0.205 0.000 2.788 493 T HA 0.181 4.528 4.350 -0.005 0.000 0.268 493 T C 1.117 175.854 174.700 0.062 0.000 1.044 493 T CA 1.488 63.693 62.100 0.175 0.000 1.139 493 T CB -0.118 68.854 68.868 0.174 0.000 0.867 493 T HN 0.771 nan 8.240 nan 0.000 0.454 494 G N -0.622 108.170 108.800 -0.013 0.000 2.427 494 G HA2 0.544 4.501 3.960 -0.005 0.000 0.306 494 G HA3 0.544 4.501 3.960 -0.005 0.000 0.306 494 G C -2.092 172.725 174.900 -0.140 0.000 1.280 494 G CA -0.989 43.893 45.100 -0.363 0.000 0.837 494 G HN 0.216 nan 8.290 nan 0.000 0.482 495 I N 0.315 120.782 120.570 -0.171 0.000 2.465 495 I HA 0.524 4.691 4.170 -0.005 0.000 0.291 495 I C -0.981 175.204 176.117 0.114 0.000 1.014 495 I CA -0.793 60.522 61.300 0.025 0.000 1.093 495 I CB 2.053 40.088 38.000 0.057 0.000 1.267 495 I HN 0.406 nan 8.210 nan 0.000 0.431 496 L N 5.933 127.211 121.223 0.090 0.000 2.329 496 L HA 0.769 5.106 4.340 -0.005 0.000 0.279 496 L C -0.098 176.797 176.870 0.041 0.000 1.014 496 L CA -0.205 54.625 54.840 -0.016 0.000 0.814 496 L CB 1.669 43.614 42.059 -0.189 0.000 1.257 496 L HN 0.683 nan 8.230 nan 0.000 0.424 497 A N 6.103 128.765 122.820 -0.264 0.000 2.302 497 A HA 0.478 4.795 4.320 -0.005 0.000 0.295 497 A C -0.103 177.170 177.584 -0.519 0.000 1.235 497 A CA -0.317 51.367 52.037 -0.589 0.000 0.876 497 A CB -0.306 17.723 19.000 -1.618 0.000 1.133 497 A HN 0.795 nan 8.150 nan 0.000 0.533 498 M N 3.944 123.407 119.600 -0.230 0.000 2.923 498 M HA 0.118 4.595 4.480 -0.005 0.000 0.311 498 M C -0.046 176.188 176.300 -0.111 0.000 1.376 498 M CA 0.299 55.498 55.300 -0.169 0.000 1.468 498 M CB -0.101 32.474 32.600 -0.042 0.000 1.151 498 M HN 0.549 nan 8.290 nan 0.000 0.517 499 K N 1.906 122.154 120.400 -0.253 0.000 2.295 499 K HA 0.180 4.497 4.320 -0.005 0.000 0.270 499 K C 0.133 176.724 176.600 -0.015 0.000 1.011 499 K CA -0.331 55.883 56.287 -0.122 0.000 0.953 499 K CB 0.975 33.307 32.500 -0.280 0.000 0.956 499 K HN 0.382 nan 8.250 nan 0.000 0.477 500 K N 2.686 123.128 120.400 0.070 0.000 2.484 500 K HA -0.032 4.285 4.320 -0.005 0.000 0.280 500 K C 0.381 177.009 176.600 0.047 0.000 1.013 500 K CA 0.241 56.562 56.287 0.058 0.000 1.029 500 K CB 0.368 32.908 32.500 0.067 0.000 0.902 500 K HN 0.525 nan 8.250 nan 0.000 0.481 501 I N 3.543 124.159 120.570 0.076 0.000 3.194 501 I HA -0.003 4.164 4.170 -0.005 0.000 0.271 501 I C 0.264 176.434 176.117 0.090 0.000 1.150 501 I CA 0.032 61.387 61.300 0.091 0.000 1.440 501 I CB 0.782 38.880 38.000 0.164 0.000 1.276 501 I HN 0.467 nan 8.210 nan 0.000 0.457 502 V N -2.465 117.503 119.914 0.089 0.000 3.141 502 V HA 0.534 4.651 4.120 -0.005 0.000 0.312 502 V C -0.617 175.495 176.094 0.031 0.000 1.157 502 V CA -0.996 61.345 62.300 0.068 0.000 1.041 502 V CB 1.902 33.781 31.823 0.093 0.000 1.071 502 V HN -0.084 nan 8.190 nan 0.000 0.441 503 E N 1.468 121.679 120.200 0.019 0.000 2.390 503 E HA 0.387 4.734 4.350 -0.005 0.000 0.261 503 E C -2.532 174.053 176.600 -0.025 0.000 1.076 503 E CA -1.985 54.414 56.400 -0.001 0.000 0.905 503 E CB 0.398 30.098 29.700 0.001 0.000 0.984 503 E HN 0.610 nan 8.360 nan 0.000 0.427 504 P HA -0.025 nan 4.420 nan 0.000 0.264 504 P C -0.227 177.041 177.300 -0.053 0.000 1.183 504 P CA 0.443 63.517 63.100 -0.043 0.000 0.763 504 P CB 0.381 32.066 31.700 -0.024 0.000 0.807 505 L N 4.376 125.548 121.223 -0.085 0.000 2.375 505 L HA 0.192 4.529 4.340 -0.005 0.000 0.271 505 L C 0.694 177.527 176.870 -0.061 0.000 1.107 505 L CA -0.271 54.450 54.840 -0.198 0.000 0.806 505 L CB 0.017 41.902 42.059 -0.291 0.000 1.146 505 L HN 0.549 nan 8.230 nan 0.000 0.447 506 Y N 1.145 121.463 120.300 0.029 0.000 2.845 506 Y HA -0.416 4.131 4.550 -0.005 0.000 0.468 506 Y C 1.086 177.049 175.900 0.105 0.000 1.163 506 Y CA 1.229 59.346 58.100 0.028 0.000 2.636 506 Y CB -0.756 37.629 38.460 -0.125 0.000 1.194 506 Y HN 0.581 nan 8.280 nan 0.000 0.626 507 E N 1.316 121.723 120.200 0.345 0.000 2.496 507 E HA 0.534 4.881 4.350 -0.005 0.000 0.200 507 E C 0.017 176.898 176.600 0.469 0.000 1.016 507 E CA 0.278 56.930 56.400 0.420 0.000 0.962 507 E CB 0.288 30.299 29.700 0.519 0.000 1.071 507 E HN 0.481 nan 8.360 nan 0.000 0.457 508 A N 1.651 124.640 122.820 0.282 0.000 2.445 508 A HA 0.326 4.643 4.320 -0.005 0.000 0.242 508 A C 0.198 177.868 177.584 0.143 0.000 1.075 508 A CA 0.243 52.419 52.037 0.232 0.000 0.777 508 A CB 0.397 19.472 19.000 0.124 0.000 1.013 508 A HN 0.183 nan 8.150 nan 0.000 0.493 509 R N 0.485 121.035 120.500 0.083 0.000 2.771 509 R HA 0.484 4.821 4.340 -0.005 0.000 0.274 509 R C -0.169 176.090 176.300 -0.069 0.000 0.987 509 R CA -0.395 55.635 56.100 -0.117 0.000 0.908 509 R CB 2.032 32.050 30.300 -0.471 0.000 1.213 509 R HN 0.915 nan 8.270 nan 0.000 0.468 510 S N 0.026 115.693 115.700 -0.055 0.000 2.579 510 S HA 0.007 4.474 4.470 -0.005 0.000 0.275 510 S C 0.528 175.165 174.600 0.061 0.000 1.345 510 S CA -0.463 57.748 58.200 0.017 0.000 1.031 510 S CB 0.728 63.971 63.200 0.070 0.000 0.892 510 S HN 0.564 nan 8.310 nan 0.000 0.529 511 D N 0.530 121.022 120.400 0.153 0.000 2.182 511 D HA -0.162 4.475 4.640 -0.005 0.000 0.201 511 D C 1.404 177.845 176.300 0.236 0.000 0.986 511 D CA 1.592 55.688 54.000 0.160 0.000 0.847 511 D CB -0.238 40.773 40.800 0.351 0.000 0.942 511 D HN 0.803 nan 8.370 nan 0.000 0.467 512 Y N 2.300 122.761 120.300 0.269 0.000 2.128 512 Y HA -0.221 4.326 4.550 -0.005 0.000 0.284 512 Y C 1.805 177.821 175.900 0.193 0.000 1.154 512 Y CA 1.736 60.031 58.100 0.324 0.000 1.149 512 Y CB -0.104 38.514 38.460 0.264 0.000 0.976 512 Y HN -0.190 nan 8.280 nan 0.000 0.505 513 D N 0.143 120.700 120.400 0.261 0.000 2.144 513 D HA -0.168 4.469 4.640 -0.005 0.000 0.199 513 D C 2.260 178.454 176.300 -0.177 0.000 0.984 513 D CA 1.687 55.715 54.000 0.047 0.000 0.834 513 D CB -0.292 40.504 40.800 -0.008 0.000 0.955 513 D HN 0.470 nan 8.370 nan 0.000 0.465 514 I N -0.088 120.331 120.570 -0.252 0.000 2.163 514 I HA -0.249 3.919 4.170 -0.005 0.000 0.240 514 I C 1.951 177.884 176.117 -0.306 0.000 1.081 514 I CA 0.800 61.890 61.300 -0.351 0.000 1.353 514 I CB -0.207 37.505 38.000 -0.480 0.000 1.054 514 I HN -0.109 nan 8.210 nan 0.000 0.407 515 F N 1.027 120.856 119.950 -0.202 0.000 2.234 515 F HA -0.106 4.418 4.527 -0.005 0.000 0.299 515 F C 2.561 177.791 175.800 -0.951 0.000 1.087 515 F CA 0.954 58.672 58.000 -0.471 0.000 1.340 515 F CB -1.073 37.664 39.000 -0.437 0.000 1.031 515 F HN -0.002 nan 8.300 nan 0.000 0.500 516 A N -0.092 122.258 122.820 -0.785 0.000 1.930 516 A HA -0.013 4.304 4.320 -0.005 0.000 0.217 516 A C 2.436 179.827 177.584 -0.323 0.000 1.175 516 A CA 1.658 53.280 52.037 -0.692 0.000 0.627 516 A CB -1.159 17.644 19.000 -0.327 0.000 0.815 516 A HN 0.275 nan 8.150 nan 0.000 0.443 517 A N -0.675 122.010 122.820 -0.225 0.000 1.929 517 A HA 0.097 4.414 4.320 -0.005 0.000 0.216 517 A C 2.180 179.716 177.584 -0.079 0.000 1.176 517 A CA 1.561 53.525 52.037 -0.121 0.000 0.628 517 A CB -0.694 18.239 19.000 -0.112 0.000 0.816 517 A HN 0.343 nan 8.150 nan 0.000 0.444 518 V N -0.130 119.735 119.914 -0.081 0.000 2.358 518 V HA -0.197 3.920 4.120 -0.005 0.000 0.246 518 V C 3.039 179.111 176.094 -0.038 0.000 1.047 518 V CA 1.762 64.062 62.300 -0.000 0.000 1.035 518 V CB -1.194 30.689 31.823 0.100 0.000 0.658 518 V HN 0.581 nan 8.190 nan 0.000 0.452 519 A N -0.008 122.724 122.820 -0.146 0.000 1.940 519 A HA -0.278 4.040 4.320 -0.005 0.000 0.219 519 A C 2.178 179.740 177.584 -0.037 0.000 1.176 519 A CA 2.123 54.095 52.037 -0.108 0.000 0.631 519 A CB -0.516 18.365 19.000 -0.198 0.000 0.814 519 A HN 0.566 nan 8.150 nan 0.000 0.446 520 E N 0.103 120.274 120.200 -0.049 0.000 2.085 520 E HA -0.178 4.169 4.350 -0.005 0.000 0.194 520 E C 2.074 178.679 176.600 0.009 0.000 0.994 520 E CA 1.527 57.922 56.400 -0.008 0.000 0.801 520 E CB -0.189 29.503 29.700 -0.013 0.000 0.743 520 E HN 0.606 nan 8.360 nan 0.000 0.453 521 R N -0.475 120.032 120.500 0.011 0.000 2.235 521 R HA 0.054 4.391 4.340 -0.005 0.000 0.213 521 R C 1.734 178.055 176.300 0.035 0.000 1.059 521 R CA 0.678 56.795 56.100 0.029 0.000 0.997 521 R CB -0.042 30.282 30.300 0.040 0.000 0.884 521 R HN 0.249 nan 8.270 nan 0.000 0.462 522 L N -0.619 120.624 121.223 0.033 0.000 2.592 522 L HA 0.221 4.558 4.340 -0.005 0.000 0.227 522 L C 0.943 177.835 176.870 0.036 0.000 1.127 522 L CA 0.278 55.141 54.840 0.039 0.000 0.884 522 L CB 0.258 42.343 42.059 0.043 0.000 1.065 522 L HN 0.417 nan 8.230 nan 0.000 0.457 523 G N 0.696 109.515 108.800 0.032 0.000 2.137 523 G HA2 -0.240 3.718 3.960 -0.005 0.000 0.237 523 G HA3 -0.240 3.718 3.960 -0.005 0.000 0.237 523 G C 0.443 175.366 174.900 0.038 0.000 1.002 523 G CA -0.106 45.013 45.100 0.032 0.000 0.702 523 G HN 0.309 nan 8.290 nan 0.000 0.515 524 K N 0.181 120.607 120.400 0.043 0.000 2.934 524 K HA 0.350 4.667 4.320 -0.005 0.000 0.210 524 K C 1.858 178.508 176.600 0.084 0.000 1.122 524 K CA 0.190 56.514 56.287 0.062 0.000 1.033 524 K CB 0.663 33.205 32.500 0.070 0.000 0.779 524 K HN 0.291 nan 8.250 nan 0.000 0.459 525 G N 1.465 110.306 108.800 0.068 0.000 2.480 525 G HA2 -0.291 3.666 3.960 -0.005 0.000 0.216 525 G HA3 -0.291 3.666 3.960 -0.005 0.000 0.216 525 G C 1.460 176.440 174.900 0.134 0.000 1.200 525 G CA 1.157 46.306 45.100 0.083 0.000 0.782 525 G HN 0.368 nan 8.290 nan 0.000 0.554 526 A N 0.640 123.521 122.820 0.102 0.000 1.972 526 A HA 0.036 4.353 4.320 -0.005 0.000 0.219 526 A C 2.189 179.843 177.584 0.116 0.000 1.169 526 A CA 2.090 54.187 52.037 0.099 0.000 0.635 526 A CB -0.319 18.715 19.000 0.058 0.000 0.810 526 A HN 0.391 nan 8.150 nan 0.000 0.446 527 E N -1.213 119.057 120.200 0.116 0.000 2.110 527 E HA -0.115 4.232 4.350 -0.005 0.000 0.193 527 E C 1.564 178.256 176.600 0.153 0.000 0.988 527 E CA 1.268 57.734 56.400 0.112 0.000 0.804 527 E CB -0.318 29.439 29.700 0.094 0.000 0.745 527 E HN 0.728 nan 8.360 nan 0.000 0.458 528 F N 0.669 120.648 119.950 0.050 0.000 2.149 528 F HA -0.128 4.396 4.527 -0.005 0.000 0.294 528 F C 2.375 178.256 175.800 0.135 0.000 1.095 528 F CA 1.714 59.736 58.000 0.037 0.000 1.276 528 F CB -0.348 38.631 39.000 -0.035 0.000 1.023 528 F HN 0.055 nan 8.300 nan 0.000 0.480 529 T N -3.061 111.714 114.554 0.368 0.000 3.014 529 T HA -0.000 4.347 4.350 -0.005 0.000 0.263 529 T C 1.122 176.055 174.700 0.388 0.000 1.078 529 T CA 0.940 63.314 62.100 0.457 0.000 1.135 529 T CB -0.096 69.010 68.868 0.397 0.000 0.895 529 T HN 0.250 nan 8.240 nan 0.000 0.480 530 E N 0.584 120.901 120.200 0.195 0.000 3.070 530 E HA -0.160 4.187 4.350 -0.005 0.000 0.285 530 E C 1.055 177.601 176.600 -0.090 0.000 0.972 530 E CA 1.185 57.602 56.400 0.029 0.000 0.915 530 E CB -1.918 27.762 29.700 -0.033 0.000 1.466 530 E HN 1.124 nan 8.360 nan 0.000 0.432 531 G N -0.793 107.995 108.800 -0.021 0.000 2.166 531 G HA2 -0.409 3.548 3.960 -0.005 0.000 0.260 531 G HA3 -0.409 3.548 3.960 -0.005 0.000 0.260 531 G C 0.298 175.115 174.900 -0.138 0.000 0.986 531 G CA 0.938 46.004 45.100 -0.057 0.000 0.683 531 G HN 0.407 nan 8.290 nan 0.000 0.527 532 K N 0.691 120.948 120.400 -0.238 0.000 2.118 532 K HA 0.545 4.862 4.320 -0.005 0.000 0.254 532 K C -0.073 176.439 176.600 -0.146 0.000 0.961 532 K CA -0.402 55.636 56.287 -0.415 0.000 0.876 532 K CB 1.174 32.979 32.500 -1.160 0.000 1.077 532 K HN 0.325 nan 8.250 nan 0.000 0.440 533 D N -0.191 120.122 120.400 -0.145 0.000 2.569 533 D HA 0.021 4.658 4.640 -0.005 0.000 0.266 533 D C 0.799 177.082 176.300 -0.029 0.000 1.164 533 D CA -0.582 53.409 54.000 -0.015 0.000 1.071 533 D CB 0.576 41.357 40.800 -0.033 0.000 1.183 533 D HN 0.631 nan 8.370 nan 0.000 0.613 534 E N -0.847 119.319 120.200 -0.058 0.000 2.048 534 E HA -0.253 4.094 4.350 -0.005 0.000 0.202 534 E C 1.876 178.409 176.600 -0.111 0.000 1.021 534 E CA 1.709 58.050 56.400 -0.098 0.000 0.825 534 E CB -0.034 29.641 29.700 -0.041 0.000 0.756 534 E HN 0.357 nan 8.360 nan 0.000 0.454 535 M N -0.139 119.373 119.600 -0.147 0.000 2.296 535 M HA -0.026 4.452 4.480 -0.005 0.000 0.265 535 M C 2.377 178.488 176.300 -0.316 0.000 1.064 535 M CA 1.344 56.504 55.300 -0.234 0.000 1.109 535 M CB -1.164 31.297 32.600 -0.233 0.000 1.396 535 M HN 0.294 nan 8.290 nan 0.000 0.430 536 G N -1.072 107.551 108.800 -0.295 0.000 2.418 536 G HA2 -0.223 3.734 3.960 -0.005 0.000 0.217 536 G HA3 -0.223 3.734 3.960 -0.005 0.000 0.217 536 G C 1.410 176.019 174.900 -0.485 0.000 1.158 536 G CA 0.295 45.160 45.100 -0.392 0.000 0.771 536 G HN 0.448 nan 8.290 nan 0.000 0.545 537 W N 0.670 121.682 121.300 -0.480 0.000 2.354 537 W HA 0.038 4.695 4.660 -0.004 0.000 0.315 537 W C 2.600 178.461 176.519 -1.096 0.000 1.206 537 W CA 0.358 57.263 57.345 -0.734 0.000 1.290 537 W CB -0.219 28.895 29.460 -0.577 0.000 1.152 537 W HN 0.102 nan 8.180 nan 0.000 0.489 538 I N 0.410 120.728 120.570 -0.419 0.000 2.163 538 I HA -0.367 3.800 4.170 -0.005 0.000 0.243 538 I C 2.436 178.339 176.117 -0.358 0.000 1.085 538 I CA 1.666 62.812 61.300 -0.257 0.000 1.347 538 I CB -0.642 37.344 38.000 -0.024 0.000 1.044 538 I HN -0.034 nan 8.210 nan 0.000 0.408 539 K N 0.947 120.922 120.400 -0.708 0.000 2.097 539 K HA -0.205 4.112 4.320 -0.005 0.000 0.206 539 K C 2.321 178.644 176.600 -0.462 0.000 1.049 539 K CA 1.824 57.500 56.287 -1.019 0.000 0.933 539 K CB -0.089 31.710 32.500 -1.167 0.000 0.717 539 K HN 0.396 nan 8.250 nan 0.000 0.442 540 S N -0.113 115.321 115.700 -0.442 0.000 2.382 540 S HA -0.131 4.337 4.470 -0.005 0.000 0.228 540 S C 1.782 176.347 174.600 -0.058 0.000 1.027 540 S CA 0.820 58.856 58.200 -0.274 0.000 0.991 540 S CB -0.545 62.458 63.200 -0.328 0.000 0.823 540 S HN 0.257 nan 8.310 nan 0.000 0.469 541 F N 0.830 120.800 119.950 0.032 0.000 2.163 541 F HA 0.144 4.668 4.527 -0.005 0.000 0.297 541 F C 2.420 178.248 175.800 0.046 0.000 1.094 541 F CA -0.001 58.031 58.000 0.053 0.000 1.290 541 F CB -1.633 37.418 39.000 0.085 0.000 1.017 541 F HN 0.252 nan 8.300 nan 0.000 0.483 542 Y N 1.360 121.751 120.300 0.152 0.000 2.145 542 Y HA -0.231 4.316 4.550 -0.005 0.000 0.286 542 Y C 2.127 178.059 175.900 0.052 0.000 1.145 542 Y CA 1.842 60.003 58.100 0.102 0.000 1.148 542 Y CB -0.523 38.077 38.460 0.232 0.000 0.981 542 Y HN -0.056 nan 8.280 nan 0.000 0.507 543 D N 0.103 120.563 120.400 0.101 0.000 2.144 543 D HA -0.164 4.473 4.640 -0.005 0.000 0.199 543 D C 1.670 177.933 176.300 -0.062 0.000 0.984 543 D CA 1.639 55.654 54.000 0.024 0.000 0.834 543 D CB -0.358 40.454 40.800 0.019 0.000 0.955 543 D HN 0.432 nan 8.370 nan 0.000 0.465 544 D N -0.002 120.378 120.400 -0.033 0.000 2.117 544 D HA -0.050 4.587 4.640 -0.005 0.000 0.198 544 D C 1.986 178.232 176.300 -0.090 0.000 0.982 544 D CA 1.271 55.250 54.000 -0.035 0.000 0.828 544 D CB -0.272 40.544 40.800 0.027 0.000 0.967 544 D HN 0.135 nan 8.370 nan 0.000 0.464 545 A N 0.742 123.477 122.820 -0.142 0.000 1.902 545 A HA -0.017 4.300 4.320 -0.005 0.000 0.217 545 A C 2.267 179.703 177.584 -0.247 0.000 1.181 545 A CA 2.084 54.004 52.037 -0.195 0.000 0.623 545 A CB -0.756 18.110 19.000 -0.224 0.000 0.818 545 A HN 0.227 nan 8.150 nan 0.000 0.443 546 A N 0.146 122.758 122.820 -0.347 0.000 1.930 546 A HA -0.160 4.157 4.320 -0.005 0.000 0.217 546 A C 2.130 179.638 177.584 -0.126 0.000 1.175 546 A CA 1.989 53.868 52.037 -0.262 0.000 0.627 546 A CB -0.459 18.374 19.000 -0.277 0.000 0.815 546 A HN 0.619 nan 8.150 nan 0.000 0.443 547 K N -0.138 120.200 120.400 -0.103 0.000 2.057 547 K HA -0.247 4.070 4.320 -0.005 0.000 0.207 547 K C 2.225 178.782 176.600 -0.071 0.000 1.049 547 K CA 1.778 58.026 56.287 -0.064 0.000 0.931 547 K CB -0.281 32.189 32.500 -0.050 0.000 0.714 547 K HN 0.623 nan 8.250 nan 0.000 0.440 548 Q N -0.081 119.664 119.800 -0.092 0.000 2.119 548 Q HA -0.099 4.238 4.340 -0.005 0.000 0.201 548 Q C 1.937 177.870 176.000 -0.112 0.000 0.972 548 Q CA 1.701 57.447 55.803 -0.097 0.000 0.847 548 Q CB -0.275 28.399 28.738 -0.107 0.000 0.903 548 Q HN 0.477 nan 8.270 nan 0.000 0.433 549 G N 1.190 109.909 108.800 -0.134 0.000 2.402 549 G HA2 -0.243 3.714 3.960 -0.005 0.000 0.216 549 G HA3 -0.243 3.714 3.960 -0.005 0.000 0.216 549 G C 1.437 176.289 174.900 -0.081 0.000 1.162 549 G CA 0.673 45.689 45.100 -0.140 0.000 0.777 549 G HN 0.269 nan 8.290 nan 0.000 0.539 550 K N 0.416 120.782 120.400 -0.057 0.000 2.044 550 K HA -0.103 4.214 4.320 -0.005 0.000 0.210 550 K C 2.892 179.473 176.600 -0.032 0.000 1.049 550 K CA 1.285 57.554 56.287 -0.030 0.000 0.927 550 K CB -0.307 32.181 32.500 -0.020 0.000 0.713 550 K HN 0.236 nan 8.250 nan 0.000 0.443 551 A N 0.829 123.625 122.820 -0.041 0.000 1.940 551 A HA -0.126 4.191 4.320 -0.005 0.000 0.219 551 A C 2.138 179.699 177.584 -0.039 0.000 1.176 551 A CA 1.992 54.007 52.037 -0.037 0.000 0.631 551 A CB -0.533 18.442 19.000 -0.042 0.000 0.814 551 A HN 0.437 nan 8.150 nan 0.000 0.446 552 A N -2.081 120.706 122.820 -0.054 0.000 2.238 552 A HA 0.411 4.728 4.320 -0.005 0.000 0.208 552 A C 1.759 179.319 177.584 -0.041 0.000 1.177 552 A CA 1.209 53.213 52.037 -0.055 0.000 0.804 552 A CB -0.875 18.074 19.000 -0.084 0.000 0.823 552 A HN 1.930 nan 8.150 nan 0.000 0.482 553 G N -1.809 106.973 108.800 -0.030 0.000 2.141 553 G HA2 -0.178 3.779 3.960 -0.005 0.000 0.242 553 G HA3 -0.178 3.779 3.960 -0.005 0.000 0.242 553 G C 0.065 174.962 174.900 -0.004 0.000 0.982 553 G CA 0.098 45.191 45.100 -0.012 0.000 0.662 553 G HN 0.769 nan 8.290 nan 0.000 0.527 554 V N 1.418 121.320 119.914 -0.020 0.000 2.383 554 V HA 0.410 4.527 4.120 -0.005 0.000 0.275 554 V C 0.639 176.755 176.094 0.036 0.000 1.036 554 V CA -0.335 61.969 62.300 0.006 0.000 0.889 554 V CB 1.480 33.270 31.823 -0.054 0.000 0.985 554 V HN 0.436 nan 8.190 nan 0.000 0.459 555 Q N 4.895 124.737 119.800 0.071 0.000 2.286 555 Q HA 0.633 4.970 4.340 -0.005 0.000 0.257 555 Q C -0.651 175.423 176.000 0.123 0.000 0.941 555 Q CA 0.155 56.006 55.803 0.080 0.000 0.912 555 Q CB 1.489 30.271 28.738 0.073 0.000 1.192 555 Q HN 0.649 nan 8.270 nan 0.000 0.410 556 M N 3.118 122.791 119.600 0.122 0.000 2.446 556 M HA 0.457 4.934 4.480 -0.005 0.000 0.294 556 M C -2.258 174.163 176.300 0.201 0.000 1.158 556 M CA -2.005 53.401 55.300 0.176 0.000 0.899 556 M CB 2.097 34.780 32.600 0.140 0.000 1.687 556 M HN 0.515 nan 8.290 nan 0.000 0.455 557 P HA 0.371 nan 4.420 nan 0.000 0.273 557 P C -0.927 176.556 177.300 0.305 0.000 1.250 557 P CA -0.488 62.750 63.100 0.229 0.000 0.793 557 P CB 0.343 32.161 31.700 0.197 0.000 1.011 558 A N 0.316 123.269 122.820 0.222 0.000 2.406 558 A HA 0.098 4.415 4.320 -0.005 0.000 0.243 558 A C 1.091 178.813 177.584 0.229 0.000 1.082 558 A CA -0.393 51.793 52.037 0.249 0.000 0.786 558 A CB -0.597 18.500 19.000 0.163 0.000 1.029 558 A HN 0.604 nan 8.150 nan 0.000 0.495 559 F N 0.720 120.732 119.950 0.102 0.000 2.063 559 F HA -0.264 4.261 4.527 -0.004 0.000 0.298 559 F C 1.673 177.479 175.800 0.010 0.000 1.109 559 F CA 2.820 60.772 58.000 -0.080 0.000 1.212 559 F CB -0.109 38.886 39.000 -0.008 0.000 0.973 559 F HN 0.672 nan 8.300 nan 0.000 0.480 560 D N 0.092 120.432 120.400 -0.099 0.000 2.178 560 D HA -0.110 4.527 4.640 -0.005 0.000 0.201 560 D C 2.318 178.534 176.300 -0.141 0.000 0.980 560 D CA 1.303 55.192 54.000 -0.185 0.000 0.842 560 D CB -0.542 40.239 40.800 -0.031 0.000 0.948 560 D HN 0.413 nan 8.370 nan 0.000 0.472 561 A N 0.387 123.173 122.820 -0.057 0.000 1.929 561 A HA -0.128 4.190 4.320 -0.005 0.000 0.216 561 A C 2.035 179.587 177.584 -0.054 0.000 1.176 561 A CA 0.794 52.813 52.037 -0.029 0.000 0.628 561 A CB -0.845 18.175 19.000 0.034 0.000 0.816 561 A HN 0.275 nan 8.150 nan 0.000 0.444 562 F N -0.666 119.157 119.950 -0.213 0.000 2.102 562 F HA -0.187 4.337 4.527 -0.005 0.000 0.298 562 F C 2.171 177.801 175.800 -0.284 0.000 1.105 562 F CA 1.650 59.495 58.000 -0.257 0.000 1.239 562 F CB -0.579 38.137 39.000 -0.474 0.000 0.991 562 F HN 0.480 nan 8.300 nan 0.000 0.474 563 W N 1.333 122.033 121.300 -1.000 0.000 2.338 563 W HA -0.216 4.441 4.660 -0.004 0.000 0.304 563 W C 2.407 178.555 176.519 -0.619 0.000 1.212 563 W CA 2.211 58.953 57.345 -1.004 0.000 1.264 563 W CB -0.621 28.306 29.460 -0.887 0.000 1.142 563 W HN 0.244 nan 8.180 nan 0.000 0.512 564 A N 0.760 123.419 122.820 -0.269 0.000 1.902 564 A HA -0.229 4.088 4.320 -0.005 0.000 0.217 564 A C 1.848 179.268 177.584 -0.274 0.000 1.181 564 A CA 2.972 54.880 52.037 -0.215 0.000 0.623 564 A CB -1.312 17.618 19.000 -0.117 0.000 0.818 564 A HN 0.393 nan 8.150 nan 0.000 0.443 565 E N -2.216 117.812 120.200 -0.287 0.000 2.158 565 E HA 0.252 4.599 4.350 -0.005 0.000 0.191 565 E C 2.111 178.495 176.600 -0.360 0.000 0.982 565 E CA 1.586 57.840 56.400 -0.243 0.000 0.823 565 E CB -1.185 28.433 29.700 -0.138 0.000 0.766 565 E HN 1.970 nan 8.360 nan 0.000 0.468 566 G N -0.797 107.636 108.800 -0.612 0.000 2.225 566 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.254 566 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.254 566 G C 0.435 174.984 174.900 -0.585 0.000 0.988 566 G CA 0.437 45.086 45.100 -0.752 0.000 0.625 566 G HN 1.181 nan 8.290 nan 0.000 0.527 567 I N -0.278 120.106 120.570 -0.310 0.000 2.908 567 I HA 0.578 4.746 4.170 -0.005 0.000 0.300 567 I C -1.316 174.871 176.117 0.116 0.000 1.385 567 I CA -1.173 60.097 61.300 -0.050 0.000 1.004 567 I CB 2.184 40.085 38.000 -0.165 0.000 1.309 567 I HN 0.091 nan 8.210 nan 0.000 0.449 568 V N 4.803 124.785 119.914 0.113 0.000 2.588 568 V HA 0.558 4.675 4.120 -0.005 0.000 0.304 568 V C -0.681 175.225 176.094 -0.314 0.000 1.042 568 V CA -0.630 61.658 62.300 -0.020 0.000 0.877 568 V CB 1.690 33.492 31.823 -0.035 0.000 0.996 568 V HN 0.690 nan 8.190 nan 0.000 0.425 569 E N 2.804 122.851 120.200 -0.255 0.000 2.227 569 E HA 0.690 5.037 4.350 -0.005 0.000 0.268 569 E C -1.636 174.796 176.600 -0.280 0.000 0.907 569 E CA -0.595 55.620 56.400 -0.309 0.000 0.786 569 E CB 2.373 32.051 29.700 -0.037 0.000 1.191 569 E HN 0.526 nan 8.360 nan 0.000 0.411 570 F N 1.718 121.718 119.950 0.083 0.000 2.470 570 F HA 0.414 4.938 4.527 -0.005 0.000 0.329 570 F C -1.883 173.955 175.800 0.063 0.000 1.072 570 F CA -2.742 55.295 58.000 0.061 0.000 0.989 570 F CB 0.332 39.359 39.000 0.044 0.000 1.193 570 F HN 0.222 nan 8.300 nan 0.000 0.481 571 P HA 0.264 nan 4.420 nan 0.000 0.282 571 P C -0.930 176.451 177.300 0.135 0.000 1.249 571 P CA -0.288 62.906 63.100 0.157 0.000 0.806 571 P CB 1.583 33.356 31.700 0.121 0.000 0.984 572 V N 2.917 122.898 119.914 0.112 0.000 2.383 572 V HA 0.166 4.283 4.120 -0.005 0.000 0.275 572 V C 1.587 177.727 176.094 0.078 0.000 1.036 572 V CA 0.289 62.648 62.300 0.098 0.000 0.889 572 V CB 0.639 32.524 31.823 0.102 0.000 0.985 572 V HN 0.846 nan 8.190 nan 0.000 0.459 573 T N 1.067 115.660 114.554 0.065 0.000 3.535 573 T HA 0.046 4.393 4.350 -0.005 0.000 0.223 573 T C 0.981 175.717 174.700 0.060 0.000 0.933 573 T CA 0.741 62.874 62.100 0.055 0.000 1.445 573 T CB -0.138 68.754 68.868 0.041 0.000 1.286 573 T HN 0.614 nan 8.240 nan 0.000 0.436 574 D N 0.807 121.242 120.400 0.058 0.000 2.395 574 D HA 0.261 4.898 4.640 -0.005 0.000 0.213 574 D C 1.931 178.285 176.300 0.091 0.000 1.110 574 D CA 0.209 54.252 54.000 0.071 0.000 0.835 574 D CB -0.674 40.166 40.800 0.066 0.000 0.965 574 D HN 0.578 nan 8.370 nan 0.000 0.505 575 G N 0.863 109.713 108.800 0.082 0.000 2.462 575 G HA2 -0.168 3.789 3.960 -0.005 0.000 0.220 575 G HA3 -0.168 3.789 3.960 -0.005 0.000 0.220 575 G C 1.544 176.525 174.900 0.135 0.000 1.121 575 G CA 0.771 45.925 45.100 0.090 0.000 0.758 575 G HN 0.454 nan 8.290 nan 0.000 0.559 576 A N 0.173 123.070 122.820 0.128 0.000 2.168 576 A HA 0.113 4.430 4.320 -0.005 0.000 0.215 576 A C 1.649 179.317 177.584 0.140 0.000 1.152 576 A CA 1.384 53.505 52.037 0.140 0.000 0.716 576 A CB 0.012 19.086 19.000 0.122 0.000 0.794 576 A HN 0.226 nan 8.150 nan 0.000 0.465 577 D N -1.581 118.901 120.400 0.138 0.000 2.363 577 D HA 0.140 4.777 4.640 -0.005 0.000 0.214 577 D C -0.189 176.190 176.300 0.130 0.000 1.093 577 D CA -0.290 53.778 54.000 0.113 0.000 0.837 577 D CB -0.077 40.776 40.800 0.088 0.000 0.948 577 D HN 0.371 nan 8.370 nan 0.000 0.507 578 F N 1.997 121.960 119.950 0.021 0.000 2.578 578 F HA 0.084 4.609 4.527 -0.005 0.000 0.381 578 F C -0.151 175.642 175.800 -0.011 0.000 1.069 578 F CA -0.093 57.907 58.000 -0.000 0.000 1.231 578 F CB 0.535 39.528 39.000 -0.012 0.000 1.086 578 F HN -0.352 nan 8.300 nan 0.000 0.564 579 V N 7.806 127.237 119.914 -0.805 0.000 2.407 579 V HA 0.335 4.452 4.120 -0.005 0.000 0.291 579 V C 0.052 175.551 176.094 -0.991 0.000 1.018 579 V CA -1.033 60.867 62.300 -0.667 0.000 0.842 579 V CB 1.391 33.035 31.823 -0.299 0.000 0.996 579 V HN 0.709 nan 8.190 nan 0.000 0.426 580 R N 3.214 123.207 120.500 -0.845 0.000 2.489 580 R HA 0.201 4.538 4.340 -0.005 0.000 0.287 580 R C 0.003 176.176 176.300 -0.212 0.000 1.053 580 R CA 0.450 56.201 56.100 -0.581 0.000 1.036 580 R CB 0.011 30.128 30.300 -0.306 0.000 0.966 580 R HN 0.717 nan 8.270 nan 0.000 0.432 581 Y N 0.314 120.530 120.300 -0.140 0.000 4.929 581 Y HA -0.351 4.196 4.550 -0.005 0.000 0.253 581 Y C 1.306 177.231 175.900 0.042 0.000 0.946 581 Y CA 0.875 58.987 58.100 0.020 0.000 1.905 581 Y CB -2.052 36.448 38.460 0.067 0.000 1.400 581 Y HN 0.785 nan 8.280 nan 0.000 0.531 582 A N 0.184 123.016 122.820 0.019 0.000 1.902 582 A HA -0.200 4.117 4.320 -0.005 0.000 0.217 582 A C 2.278 179.901 177.584 0.065 0.000 1.181 582 A CA 2.458 54.502 52.037 0.011 0.000 0.623 582 A CB -0.851 18.104 19.000 -0.075 0.000 0.818 582 A HN 0.801 nan 8.150 nan 0.000 0.443 583 S N -1.286 114.466 115.700 0.086 0.000 2.387 583 S HA -0.128 4.339 4.470 -0.005 0.000 0.226 583 S C 1.825 176.540 174.600 0.192 0.000 1.026 583 S CA 1.249 59.517 58.200 0.112 0.000 0.972 583 S CB -0.688 62.570 63.200 0.096 0.000 0.814 583 S HN 0.534 nan 8.310 nan 0.000 0.477 584 F N 3.042 123.058 119.950 0.111 0.000 2.102 584 F HA 0.070 4.594 4.527 -0.005 0.000 0.298 584 F C 2.624 178.545 175.800 0.201 0.000 1.105 584 F CA 1.570 59.674 58.000 0.174 0.000 1.239 584 F CB -0.548 38.608 39.000 0.260 0.000 0.991 584 F HN 0.130 nan 8.300 nan 0.000 0.474 585 R N 0.374 120.864 120.500 -0.016 0.000 2.081 585 R HA -0.203 4.134 4.340 -0.005 0.000 0.235 585 R C 2.410 178.709 176.300 -0.002 0.000 1.131 585 R CA 1.801 57.783 56.100 -0.197 0.000 0.960 585 R CB -0.544 29.679 30.300 -0.127 0.000 0.856 585 R HN 0.530 nan 8.270 nan 0.000 0.436 586 E N -0.324 119.895 120.200 0.031 0.000 2.077 586 E HA -0.190 4.158 4.350 -0.005 0.000 0.193 586 E C -0.342 176.283 176.600 0.041 0.000 0.989 586 E CA 1.266 57.691 56.400 0.041 0.000 0.800 586 E CB 0.220 29.943 29.700 0.039 0.000 0.746 586 E HN 0.111 nan 8.360 nan 0.000 0.452 587 D N -1.397 119.029 120.400 0.043 0.000 2.351 587 D HA 0.096 4.733 4.640 -0.005 0.000 0.235 587 D C -2.236 174.086 176.300 0.037 0.000 1.331 587 D CA -1.526 52.489 54.000 0.025 0.000 0.959 587 D CB 1.510 42.328 40.800 0.031 0.000 1.432 587 D HN -0.067 nan 8.370 nan 0.000 0.544 588 P HA -0.037 nan 4.420 nan 0.000 0.223 588 P C 1.564 178.913 177.300 0.081 0.000 1.151 588 P CA 0.431 63.532 63.100 0.002 0.000 0.787 588 P CB 0.676 32.221 31.700 -0.258 0.000 0.788 589 L N -1.572 119.663 121.223 0.020 0.000 2.162 589 L HA -0.001 4.336 4.340 -0.005 0.000 0.205 589 L C 2.535 179.433 176.870 0.048 0.000 1.086 589 L CA 0.571 55.427 54.840 0.027 0.000 0.778 589 L CB -0.941 41.114 42.059 -0.007 0.000 0.928 589 L HN -0.071 nan 8.230 nan 0.000 0.446 590 L N -0.395 120.857 121.223 0.049 0.000 2.179 590 L HA 0.074 4.411 4.340 -0.005 0.000 0.208 590 L C 0.664 177.581 176.870 0.078 0.000 1.096 590 L CA 1.430 56.302 54.840 0.052 0.000 0.779 590 L CB -0.040 42.045 42.059 0.043 0.000 0.922 590 L HN 0.254 nan 8.230 nan 0.000 0.443 591 N N 0.882 119.655 118.700 0.122 0.000 2.813 591 N HA 0.308 5.045 4.740 -0.005 0.000 0.282 591 N C -2.635 173.039 175.510 0.273 0.000 1.748 591 N CA -1.060 52.090 53.050 0.167 0.000 0.860 591 N CB 0.644 39.239 38.487 0.179 0.000 1.204 591 N HN 0.214 nan 8.380 nan 0.000 0.490 592 P HA 0.195 nan 4.420 nan 0.000 0.274 592 P C 0.347 177.713 177.300 0.110 0.000 1.246 592 P CA -0.353 62.893 63.100 0.243 0.000 0.795 592 P CB 1.576 33.363 31.700 0.146 0.000 1.006 593 L N 0.263 121.478 121.223 -0.013 0.000 2.466 593 L HA 0.310 4.647 4.340 -0.005 0.000 0.257 593 L C 1.870 178.716 176.870 -0.040 0.000 1.189 593 L CA -0.345 54.422 54.840 -0.122 0.000 0.813 593 L CB 0.002 41.906 42.059 -0.258 0.000 1.118 593 L HN 0.502 nan 8.230 nan 0.000 0.471 594 G N 0.182 108.955 108.800 -0.045 0.000 3.452 594 G HA2 0.169 4.126 3.960 -0.005 0.000 0.258 594 G HA3 0.169 4.126 3.960 -0.005 0.000 0.258 594 G C 0.380 175.255 174.900 -0.042 0.000 1.305 594 G CA -0.138 44.939 45.100 -0.037 0.000 1.514 594 G HN 0.657 nan 8.290 nan 0.000 0.593 595 T N -3.329 111.209 114.554 -0.026 0.000 2.948 595 T HA 0.538 4.885 4.350 -0.005 0.000 0.285 595 T C -1.605 173.099 174.700 0.005 0.000 1.019 595 T CA -1.725 60.365 62.100 -0.016 0.000 1.013 595 T CB 2.326 71.194 68.868 0.000 0.000 1.117 595 T HN -0.148 nan 8.240 nan 0.000 0.533 596 P HA -0.073 nan 4.420 nan 0.000 0.216 596 P C 1.662 178.983 177.300 0.035 0.000 1.150 596 P CA 1.465 64.580 63.100 0.024 0.000 0.837 596 P CB -0.214 31.505 31.700 0.032 0.000 0.786 597 T N -5.919 108.665 114.554 0.050 0.000 3.067 597 T HA 0.295 4.642 4.350 -0.005 0.000 0.257 597 T C 1.633 176.372 174.700 0.066 0.000 1.105 597 T CA 0.684 62.819 62.100 0.059 0.000 1.104 597 T CB -0.648 68.267 68.868 0.077 0.000 0.925 597 T HN 0.237 nan 8.240 nan 0.000 0.498 598 G N 0.979 109.817 108.800 0.064 0.000 2.176 598 G HA2 -0.180 3.777 3.960 -0.005 0.000 0.253 598 G HA3 -0.180 3.777 3.960 -0.005 0.000 0.253 598 G C -0.113 174.872 174.900 0.143 0.000 0.979 598 G CA 0.305 45.457 45.100 0.086 0.000 0.641 598 G HN 0.633 nan 8.290 nan 0.000 0.530 599 L N -0.275 121.030 121.223 0.137 0.000 2.256 599 L HA 0.684 5.021 4.340 -0.005 0.000 0.261 599 L C 0.762 177.710 176.870 0.129 0.000 1.022 599 L CA -1.612 53.355 54.840 0.211 0.000 0.828 599 L CB 1.380 43.556 42.059 0.195 0.000 1.374 599 L HN -0.027 nan 8.230 nan 0.000 0.436 600 I N 1.080 121.761 120.570 0.184 0.000 2.505 600 I HA 0.020 4.187 4.170 -0.005 0.000 0.287 600 I C 0.089 176.306 176.117 0.167 0.000 1.104 600 I CA 0.268 61.652 61.300 0.140 0.000 1.387 600 I CB 0.186 38.301 38.000 0.192 0.000 1.404 600 I HN 0.466 nan 8.210 nan 0.000 0.528 601 E N 7.161 127.450 120.200 0.148 0.000 2.001 601 E HA 0.201 4.548 4.350 -0.005 0.000 0.279 601 E C 0.727 177.524 176.600 0.328 0.000 1.045 601 E CA -0.162 56.361 56.400 0.204 0.000 0.833 601 E CB 1.185 30.975 29.700 0.150 0.000 1.077 601 E HN 0.638 nan 8.360 nan 0.000 0.397 602 I N 2.059 122.813 120.570 0.306 0.000 2.500 602 I HA -0.135 4.032 4.170 -0.005 0.000 0.252 602 I C 0.495 176.786 176.117 0.291 0.000 1.142 602 I CA 0.796 62.248 61.300 0.253 0.000 1.451 602 I CB 0.213 38.299 38.000 0.144 0.000 1.093 602 I HN 0.440 nan 8.210 nan 0.000 0.430 603 Y N 0.461 120.893 120.300 0.221 0.000 2.376 603 Y HA 0.428 4.975 4.550 -0.005 0.000 0.340 603 Y C -0.163 175.880 175.900 0.237 0.000 0.965 603 Y CA -0.952 57.286 58.100 0.230 0.000 1.078 603 Y CB 1.658 40.212 38.460 0.157 0.000 1.193 603 Y HN -0.256 nan 8.280 nan 0.000 0.452 604 S N 5.600 121.245 115.700 -0.092 0.000 2.498 604 S HA 0.320 4.787 4.470 -0.005 0.000 0.324 604 S C 0.477 175.002 174.600 -0.126 0.000 1.071 604 S CA -0.678 57.506 58.200 -0.027 0.000 1.113 604 S CB 0.734 63.896 63.200 -0.063 0.000 0.976 604 S HN 0.921 nan 8.310 nan 0.000 0.462 605 K N 3.369 123.816 120.400 0.080 0.000 2.148 605 K HA -0.055 4.262 4.320 -0.005 0.000 0.204 605 K C 2.048 178.639 176.600 -0.014 0.000 1.050 605 K CA 0.922 57.268 56.287 0.099 0.000 0.942 605 K CB -0.068 32.515 32.500 0.140 0.000 0.724 605 K HN 0.555 nan 8.250 nan 0.000 0.446 606 N N 1.097 119.773 118.700 -0.039 0.000 2.069 606 N HA -0.150 4.587 4.740 -0.005 0.000 0.191 606 N C 1.687 177.086 175.510 -0.186 0.000 1.031 606 N CA 1.317 54.318 53.050 -0.081 0.000 0.852 606 N CB 0.034 38.504 38.487 -0.029 0.000 1.018 606 N HN 0.151 nan 8.380 nan 0.000 0.423 607 I N 0.979 121.395 120.570 -0.257 0.000 2.439 607 I HA -0.155 4.012 4.170 -0.005 0.000 0.251 607 I C 2.467 178.428 176.117 -0.259 0.000 1.139 607 I CA 0.587 61.694 61.300 -0.321 0.000 1.438 607 I CB -0.261 37.539 38.000 -0.334 0.000 1.085 607 I HN 0.251 nan 8.210 nan 0.000 0.427 608 E N 1.711 121.782 120.200 -0.215 0.000 2.085 608 E HA -0.298 4.049 4.350 -0.005 0.000 0.194 608 E C 2.009 178.526 176.600 -0.137 0.000 0.994 608 E CA 1.513 57.821 56.400 -0.155 0.000 0.801 608 E CB 0.117 29.788 29.700 -0.049 0.000 0.743 608 E HN 0.265 nan 8.360 nan 0.000 0.453 609 K N -0.033 120.287 120.400 -0.133 0.000 2.209 609 K HA -0.080 4.237 4.320 -0.005 0.000 0.204 609 K C 2.042 178.513 176.600 -0.214 0.000 1.048 609 K CA 1.428 57.635 56.287 -0.133 0.000 0.940 609 K CB -0.054 32.383 32.500 -0.105 0.000 0.729 609 K HN 0.244 nan 8.250 nan 0.000 0.451 610 M N -1.175 118.220 119.600 -0.342 0.000 2.296 610 M HA 0.020 4.497 4.480 -0.005 0.000 0.265 610 M C 1.073 177.020 176.300 -0.587 0.000 1.064 610 M CA 1.187 56.130 55.300 -0.596 0.000 1.109 610 M CB -0.086 31.912 32.600 -1.003 0.000 1.396 610 M HN 0.337 nan 8.290 nan 0.000 0.430 611 G N 0.640 109.225 108.800 -0.359 0.000 2.273 611 G HA2 -0.251 3.706 3.960 -0.005 0.000 0.280 611 G HA3 -0.251 3.706 3.960 -0.005 0.000 0.280 611 G C -0.682 174.175 174.900 -0.072 0.000 1.047 611 G CA -0.287 44.704 45.100 -0.181 0.000 0.869 611 G HN 0.377 nan 8.290 nan 0.000 0.502 612 Y N 0.961 121.226 120.300 -0.058 0.000 2.365 612 Y HA 0.293 4.840 4.550 -0.005 0.000 0.340 612 Y C 1.694 177.566 175.900 -0.046 0.000 1.016 612 Y CA -1.450 56.624 58.100 -0.043 0.000 1.196 612 Y CB 1.018 39.450 38.460 -0.048 0.000 1.167 612 Y HN 0.329 nan 8.280 nan 0.000 0.509 613 D N 0.423 120.903 120.400 0.132 0.000 2.178 613 D HA -0.190 4.447 4.640 -0.005 0.000 0.201 613 D C 0.550 176.861 176.300 0.019 0.000 0.980 613 D CA 1.348 55.377 54.000 0.048 0.000 0.842 613 D CB -0.265 40.560 40.800 0.043 0.000 0.948 613 D HN 0.614 nan 8.370 nan 0.000 0.472 614 D N -0.811 119.622 120.400 0.054 0.000 2.342 614 D HA 0.059 4.696 4.640 -0.005 0.000 0.221 614 D C -0.195 176.129 176.300 0.039 0.000 1.101 614 D CA -0.660 53.369 54.000 0.048 0.000 0.837 614 D CB -0.653 40.237 40.800 0.151 0.000 0.938 614 D HN 0.187 nan 8.370 nan 0.000 0.508 615 C N 1.216 120.544 119.300 0.046 0.000 3.384 615 C HA 0.393 4.850 4.460 -0.005 0.000 0.294 615 C C -2.700 172.305 174.990 0.024 0.000 1.062 615 C CA -1.452 57.603 59.018 0.061 0.000 1.325 615 C CB -0.574 27.235 27.740 0.115 0.000 1.793 615 C HN 0.047 nan 8.230 nan 0.000 0.563 616 P HA 0.218 nan 4.420 nan 0.000 0.272 616 P C 0.438 177.621 177.300 -0.195 0.000 1.254 616 P CA 0.226 63.199 63.100 -0.212 0.000 0.795 616 P CB 0.713 32.166 31.700 -0.411 0.000 1.022 617 A N -0.096 122.520 122.820 -0.340 0.000 2.238 617 A HA 0.087 4.404 4.320 -0.005 0.000 0.208 617 A C 0.280 177.614 177.584 -0.417 0.000 1.177 617 A CA 0.892 52.696 52.037 -0.389 0.000 0.804 617 A CB -1.300 17.272 19.000 -0.714 0.000 0.823 617 A HN 0.798 nan 8.150 nan 0.000 0.482 618 H N -4.617 114.169 119.070 -0.473 0.000 3.016 618 H HA 0.615 5.168 4.556 -0.005 0.000 0.362 618 H C -3.545 171.126 175.328 -1.095 0.000 1.233 618 H CA -2.891 52.681 56.048 -0.792 0.000 1.124 618 H CB -0.005 29.616 29.762 -0.236 0.000 1.850 618 H HN -0.183 nan 8.280 nan 0.000 0.549 619 P HA 0.113 nan 4.420 nan 0.000 0.261 619 P C -0.661 176.533 177.300 -0.177 0.000 1.183 619 P CA 0.422 63.085 63.100 -0.729 0.000 0.761 619 P CB 0.390 31.680 31.700 -0.683 0.000 0.785 620 T N 3.490 117.937 114.554 -0.178 0.000 2.933 620 T HA 0.267 4.614 4.350 -0.005 0.000 0.305 620 T C -1.327 173.442 174.700 0.114 0.000 1.092 620 T CA -0.567 61.460 62.100 -0.122 0.000 1.008 620 T CB 1.201 69.833 68.868 -0.393 0.000 1.102 620 T HN 0.413 nan 8.240 nan 0.000 0.469 621 W N 5.699 127.119 121.300 0.199 0.000 2.335 621 W HA 0.629 5.286 4.660 -0.005 0.000 0.306 621 W C -1.638 174.937 176.519 0.093 0.000 1.216 621 W CA -0.656 56.810 57.345 0.203 0.000 1.237 621 W CB 0.374 30.084 29.460 0.417 0.000 1.243 621 W HN 0.570 nan 8.180 nan 0.000 0.493 622 M N 4.535 123.558 119.600 -0.962 0.000 2.518 622 M HA 0.173 4.650 4.480 -0.005 0.000 0.300 622 M C -0.102 175.586 176.300 -1.021 0.000 1.175 622 M CA -0.855 53.928 55.300 -0.862 0.000 0.890 622 M CB 2.459 34.514 32.600 -0.909 0.000 1.710 622 M HN 0.239 nan 8.290 nan 0.000 0.453 623 E N 3.622 123.521 120.200 -0.501 0.000 2.344 623 E HA 0.273 4.620 4.350 -0.005 0.000 0.270 623 E C -2.270 174.304 176.600 -0.043 0.000 1.021 623 E CA -1.188 55.069 56.400 -0.239 0.000 0.887 623 E CB 0.412 30.113 29.700 0.001 0.000 0.997 623 E HN 0.313 nan 8.360 nan 0.000 0.429 624 P HA 0.058 nan 4.420 nan 0.000 0.279 624 P C 0.970 178.427 177.300 0.260 0.000 1.276 624 P CA -0.566 62.643 63.100 0.182 0.000 0.801 624 P CB 0.902 32.686 31.700 0.140 0.000 1.127 625 L N -0.378 121.048 121.223 0.339 0.000 2.021 625 L HA -0.133 4.204 4.340 -0.005 0.000 0.215 625 L C 0.811 177.732 176.870 0.085 0.000 1.074 625 L CA 2.018 56.910 54.840 0.086 0.000 0.760 625 L CB -0.742 41.242 42.059 -0.125 0.000 0.889 625 L HN 0.630 nan 8.230 nan 0.000 0.433 626 E N -0.926 119.335 120.200 0.102 0.000 2.335 626 E HA 0.525 4.872 4.350 -0.005 0.000 0.280 626 E C -1.027 175.663 176.600 0.149 0.000 0.918 626 E CA -0.979 55.488 56.400 0.111 0.000 0.765 626 E CB 1.550 31.307 29.700 0.094 0.000 1.218 626 E HN 0.406 nan 8.360 nan 0.000 0.425 627 R N 1.268 121.863 120.500 0.158 0.000 2.739 627 R HA 0.480 4.817 4.340 -0.005 0.000 0.271 627 R C -1.239 175.159 176.300 0.163 0.000 1.010 627 R CA -1.177 55.038 56.100 0.190 0.000 0.897 627 R CB 0.959 31.379 30.300 0.200 0.000 1.236 627 R HN 0.469 nan 8.270 nan 0.000 0.466 628 L N 3.044 124.368 121.223 0.169 0.000 2.584 628 L HA 0.106 4.443 4.340 -0.005 0.000 0.272 628 L C -0.491 176.425 176.870 0.077 0.000 1.195 628 L CA 1.207 56.120 54.840 0.122 0.000 0.920 628 L CB -0.543 41.575 42.059 0.098 0.000 1.173 628 L HN 0.821 nan 8.230 nan 0.000 0.489 629 D N 2.480 122.917 120.400 0.062 0.000 2.945 629 D HA -0.161 4.476 4.640 -0.005 0.000 0.225 629 D C 0.481 176.811 176.300 0.050 0.000 1.158 629 D CA 1.199 55.222 54.000 0.039 0.000 0.805 629 D CB -1.447 39.360 40.800 0.012 0.000 1.098 629 D HN 0.884 nan 8.370 nan 0.000 0.426 630 G N 0.427 109.273 108.800 0.076 0.000 2.507 630 G HA2 0.495 4.453 3.960 -0.005 0.000 0.271 630 G HA3 0.495 4.453 3.960 -0.005 0.000 0.271 630 G C -2.226 172.716 174.900 0.069 0.000 1.189 630 G CA -0.928 44.228 45.100 0.093 0.000 0.859 630 G HN -0.067 nan 8.290 nan 0.000 0.542 631 P HA 0.149 nan 4.420 nan 0.000 0.262 631 P C 0.869 178.197 177.300 0.048 0.000 1.199 631 P CA 1.096 64.230 63.100 0.056 0.000 0.763 631 P CB 0.798 32.538 31.700 0.067 0.000 0.790 632 G N 2.438 111.256 108.800 0.030 0.000 2.168 632 G HA2 -0.185 3.772 3.960 -0.005 0.000 0.257 632 G HA3 -0.185 3.772 3.960 -0.005 0.000 0.257 632 G C 0.432 175.339 174.900 0.013 0.000 0.997 632 G CA 0.026 45.137 45.100 0.017 0.000 0.708 632 G HN 0.894 nan 8.290 nan 0.000 0.520 633 A N -0.312 122.521 122.820 0.023 0.000 2.488 633 A HA 0.607 4.924 4.320 -0.005 0.000 0.249 633 A C 1.328 178.897 177.584 -0.026 0.000 1.083 633 A CA 1.281 53.333 52.037 0.026 0.000 0.768 633 A CB 0.437 19.470 19.000 0.056 0.000 1.017 633 A HN 0.618 nan 8.150 nan 0.000 0.496 634 K N 1.754 122.112 120.400 -0.070 0.000 2.076 634 K HA -0.020 4.297 4.320 -0.005 0.000 0.204 634 K C -0.542 175.829 176.600 -0.382 0.000 1.051 634 K CA 0.968 57.097 56.287 -0.264 0.000 0.949 634 K CB -0.120 32.144 32.500 -0.395 0.000 0.726 634 K HN 0.712 nan 8.250 nan 0.000 0.443 635 Y N 0.152 120.448 120.300 -0.008 0.000 2.419 635 Y HA 0.231 4.778 4.550 -0.005 0.000 0.328 635 Y C -1.660 174.233 175.900 -0.010 0.000 1.162 635 Y CA -2.480 55.603 58.100 -0.028 0.000 1.174 635 Y CB 1.440 39.865 38.460 -0.059 0.000 1.228 635 Y HN 0.061 nan 8.280 nan 0.000 0.473 636 P HA 0.114 nan 4.420 nan 0.000 0.239 636 P C -0.563 176.785 177.300 0.081 0.000 1.188 636 P CA 0.838 63.989 63.100 0.085 0.000 0.794 636 P CB 1.145 32.882 31.700 0.061 0.000 0.937 637 L N -0.254 121.019 121.223 0.083 0.000 2.365 637 L HA 0.451 4.788 4.340 -0.005 0.000 0.273 637 L C 0.019 176.942 176.870 0.088 0.000 1.000 637 L CA -1.166 53.720 54.840 0.076 0.000 0.819 637 L CB 1.985 44.069 42.059 0.042 0.000 1.284 637 L HN -0.106 nan 8.230 nan 0.000 0.418 638 H N 2.975 122.066 119.070 0.037 0.000 2.548 638 H HA 0.463 5.016 4.556 -0.005 0.000 0.331 638 H C -0.679 174.670 175.328 0.036 0.000 1.093 638 H CA -0.181 55.894 56.048 0.043 0.000 1.367 638 H CB 0.926 30.723 29.762 0.058 0.000 1.455 638 H HN 0.412 nan 8.280 nan 0.000 0.519 639 I N 4.740 125.077 120.570 -0.388 0.000 2.297 639 I HA 0.230 4.397 4.170 -0.005 0.000 0.291 639 I C 0.100 176.178 176.117 -0.065 0.000 1.033 639 I CA -0.758 60.448 61.300 -0.157 0.000 1.253 639 I CB 1.208 39.119 38.000 -0.148 0.000 1.396 639 I HN 0.717 nan 8.210 nan 0.000 0.476 640 A N 6.068 128.982 122.820 0.155 0.000 2.666 640 A HA 0.481 4.798 4.320 -0.005 0.000 0.301 640 A C 0.861 178.548 177.584 0.171 0.000 1.470 640 A CA -0.307 51.871 52.037 0.236 0.000 1.159 640 A CB -0.296 18.839 19.000 0.225 0.000 1.116 640 A HN 0.834 nan 8.150 nan 0.000 0.548 641 A N 3.302 126.220 122.820 0.165 0.000 3.091 641 A HA 0.500 4.817 4.320 -0.005 0.000 0.264 641 A C 1.027 178.778 177.584 0.277 0.000 1.673 641 A CA 0.227 52.368 52.037 0.173 0.000 1.362 641 A CB -0.939 18.123 19.000 0.103 0.000 1.137 641 A HN 1.117 nan 8.150 nan 0.000 0.617 642 S N 0.097 116.019 115.700 0.371 0.000 2.719 642 S HA 0.439 4.906 4.470 -0.005 0.000 0.285 642 S C 0.030 174.930 174.600 0.501 0.000 1.137 642 S CA -0.645 57.833 58.200 0.464 0.000 1.012 642 S CB 0.197 63.647 63.200 0.417 0.000 1.134 642 S HN 0.611 nan 8.310 nan 0.000 0.544 643 H N 2.090 121.251 119.070 0.152 0.000 2.683 643 H HA 0.286 4.839 4.556 -0.005 0.000 0.339 643 H C -2.169 172.888 175.328 -0.452 0.000 1.081 643 H CA -1.607 54.415 56.048 -0.044 0.000 1.432 643 H CB 0.592 30.334 29.762 -0.032 0.000 1.462 643 H HN 0.488 nan 8.280 nan 0.000 0.557 644 P HA -0.096 nan 4.420 nan 0.000 0.271 644 P C 0.248 177.173 177.300 -0.625 0.000 1.216 644 P CA 0.155 62.684 63.100 -0.952 0.000 0.776 644 P CB 0.760 32.242 31.700 -0.364 0.000 0.881 645 F N 3.028 122.546 119.950 -0.720 0.000 2.187 645 F HA -0.008 4.516 4.527 -0.005 0.000 0.295 645 F C 1.505 177.235 175.800 -0.116 0.000 1.091 645 F CA 1.422 59.276 58.000 -0.245 0.000 1.308 645 F CB 0.070 39.033 39.000 -0.061 0.000 1.030 645 F HN 0.243 nan 8.300 nan 0.000 0.487 646 N N 0.605 119.369 118.700 0.107 0.000 2.321 646 N HA 0.176 4.913 4.740 -0.005 0.000 0.242 646 N C -0.510 175.056 175.510 0.094 0.000 1.141 646 N CA 0.139 53.270 53.050 0.134 0.000 0.864 646 N CB 0.518 39.119 38.487 0.190 0.000 1.100 646 N HN 0.246 nan 8.380 nan 0.000 0.510 647 R N 0.021 120.544 120.500 0.038 0.000 2.817 647 R HA 0.399 4.736 4.340 -0.005 0.000 0.268 647 R C -1.276 175.074 176.300 0.082 0.000 1.027 647 R CA -0.902 55.267 56.100 0.115 0.000 0.928 647 R CB 1.681 32.028 30.300 0.079 0.000 1.228 647 R HN -0.080 nan 8.270 nan 0.000 0.469 648 L N 2.944 124.263 121.223 0.160 0.000 2.297 648 L HA 0.314 4.651 4.340 -0.005 0.000 0.277 648 L C 0.177 176.939 176.870 -0.181 0.000 1.040 648 L CA 0.370 55.106 54.840 -0.173 0.000 0.867 648 L CB -0.536 41.387 42.059 -0.226 0.000 1.244 648 L HN 0.666 nan 8.230 nan 0.000 0.433 649 H N 1.648 120.645 119.070 -0.122 0.000 1.452 649 H HA -0.300 4.253 4.556 -0.005 0.000 0.090 649 H C 1.458 176.844 175.328 0.096 0.000 0.740 649 H CA 1.855 57.855 56.048 -0.080 0.000 1.901 649 H CB -1.634 28.073 29.762 -0.093 0.000 2.257 649 H HN 0.685 nan 8.280 nan 0.000 0.961 650 S N 2.751 118.675 115.700 0.373 0.000 2.528 650 S HA 0.042 4.509 4.470 -0.005 0.000 0.219 650 S C 0.633 175.548 174.600 0.523 0.000 0.985 650 S CA 0.377 58.868 58.200 0.486 0.000 0.914 650 S CB 0.127 63.661 63.200 0.556 0.000 0.776 650 S HN 0.423 nan 8.310 nan 0.000 0.526 651 Q N 1.058 121.112 119.800 0.424 0.000 2.337 651 Q HA 0.362 4.699 4.340 -0.005 0.000 0.270 651 Q C 0.245 176.462 176.000 0.362 0.000 1.002 651 Q CA 0.492 56.567 55.803 0.454 0.000 0.888 651 Q CB 0.381 29.445 28.738 0.543 0.000 1.222 651 Q HN 0.488 nan 8.270 nan 0.000 0.400 652 L N 0.524 121.917 121.223 0.284 0.000 4.885 652 L HA -0.307 4.030 4.340 -0.005 0.000 0.404 652 L C 1.206 178.053 176.870 -0.039 0.000 0.970 652 L CA 0.097 55.001 54.840 0.107 0.000 1.426 652 L CB -1.409 40.692 42.059 0.070 0.000 1.934 652 L HN 0.643 nan 8.230 nan 0.000 0.613 653 N N 1.665 120.261 118.700 -0.172 0.000 2.244 653 N HA -0.046 4.691 4.740 -0.005 0.000 0.183 653 N C 1.409 176.456 175.510 -0.771 0.000 1.016 653 N CA 1.771 54.534 53.050 -0.479 0.000 0.866 653 N CB 0.014 37.974 38.487 -0.878 0.000 0.980 653 N HN 0.489 nan 8.380 nan 0.000 0.430 654 G N 0.005 108.327 108.800 -0.797 0.000 3.741 654 G HA2 0.264 4.222 3.960 -0.005 0.000 0.263 654 G HA3 0.264 4.222 3.960 -0.005 0.000 0.263 654 G C -0.174 174.608 174.900 -0.197 0.000 1.175 654 G CA 0.167 44.980 45.100 -0.478 0.000 1.642 654 G HN 0.409 nan 8.290 nan 0.000 0.644 655 T N -3.815 110.581 114.554 -0.264 0.000 2.804 655 T HA 0.373 4.720 4.350 -0.005 0.000 0.290 655 T C 1.418 175.980 174.700 -0.230 0.000 1.099 655 T CA 0.138 62.135 62.100 -0.172 0.000 1.011 655 T CB 1.337 70.129 68.868 -0.126 0.000 1.291 655 T HN 0.401 nan 8.240 nan 0.000 0.523 656 V N 0.035 119.841 119.914 -0.178 0.000 2.720 656 V HA 0.010 4.127 4.120 -0.005 0.000 0.256 656 V C 2.379 178.349 176.094 -0.207 0.000 1.082 656 V CA 1.229 63.418 62.300 -0.184 0.000 1.101 656 V CB -1.582 30.154 31.823 -0.144 0.000 0.693 656 V HN 0.780 nan 8.190 nan 0.000 0.479 657 L N -0.075 121.037 121.223 -0.185 0.000 2.187 657 L HA -0.142 4.195 4.340 -0.005 0.000 0.213 657 L C 2.935 179.605 176.870 -0.334 0.000 1.100 657 L CA 2.031 56.785 54.840 -0.144 0.000 0.765 657 L CB -0.672 41.378 42.059 -0.014 0.000 0.904 657 L HN 0.332 nan 8.230 nan 0.000 0.437 658 R N 0.591 120.780 120.500 -0.519 0.000 2.120 658 R HA -0.239 4.098 4.340 -0.005 0.000 0.234 658 R C 2.139 177.957 176.300 -0.803 0.000 1.123 658 R CA 1.559 57.081 56.100 -0.963 0.000 0.975 658 R CB -0.001 29.833 30.300 -0.776 0.000 0.866 658 R HN 0.241 nan 8.270 nan 0.000 0.446 659 E N -0.374 119.548 120.200 -0.464 0.000 2.160 659 E HA -0.122 4.225 4.350 -0.005 0.000 0.195 659 E C 1.626 178.078 176.600 -0.246 0.000 0.991 659 E CA 1.694 57.913 56.400 -0.302 0.000 0.810 659 E CB -0.452 29.125 29.700 -0.206 0.000 0.742 659 E HN 0.480 nan 8.360 nan 0.000 0.466 660 G N -1.127 107.529 108.800 -0.240 0.000 2.534 660 G HA2 -0.194 3.763 3.960 -0.005 0.000 0.217 660 G HA3 -0.194 3.763 3.960 -0.005 0.000 0.217 660 G C 1.011 175.915 174.900 0.007 0.000 1.128 660 G CA 1.090 46.137 45.100 -0.089 0.000 0.784 660 G HN 0.529 nan 8.290 nan 0.000 0.542 661 Y N -2.169 118.129 120.300 -0.004 0.000 2.437 661 Y HA 0.710 5.257 4.550 -0.005 0.000 0.266 661 Y C 1.147 177.065 175.900 0.030 0.000 1.077 661 Y CA -1.031 57.084 58.100 0.024 0.000 1.235 661 Y CB -0.389 38.110 38.460 0.064 0.000 1.303 661 Y HN 0.154 nan 8.280 nan 0.000 0.536 662 A N 1.636 124.396 122.820 -0.100 0.000 2.445 662 A HA 0.526 4.843 4.320 -0.005 0.000 0.242 662 A C -0.420 177.193 177.584 0.049 0.000 1.075 662 A CA -0.102 51.954 52.037 0.030 0.000 0.777 662 A CB 0.260 19.219 19.000 -0.068 0.000 1.013 662 A HN 0.216 nan 8.150 nan 0.000 0.493 663 V N 3.611 123.580 119.914 0.092 0.000 2.350 663 V HA 0.268 4.385 4.120 -0.005 0.000 0.285 663 V C 0.151 176.325 176.094 0.133 0.000 1.014 663 V CA -0.277 62.076 62.300 0.088 0.000 0.831 663 V CB 0.552 32.426 31.823 0.085 0.000 1.000 663 V HN 1.054 nan 8.190 nan 0.000 0.433 664 Q N 3.517 123.371 119.800 0.090 0.000 2.457 664 Q HA -0.294 4.043 4.340 -0.005 0.000 0.283 664 Q C 1.295 177.297 176.000 0.004 0.000 1.234 664 Q CA 0.903 56.766 55.803 0.101 0.000 0.877 664 Q CB -1.408 27.445 28.738 0.193 0.000 1.250 664 Q HN 1.579 nan 8.270 nan 0.000 0.481 665 G N -1.059 107.710 108.800 -0.051 0.000 2.225 665 G HA2 -0.291 3.666 3.960 -0.005 0.000 0.254 665 G HA3 -0.291 3.666 3.960 -0.005 0.000 0.254 665 G C 0.072 174.915 174.900 -0.094 0.000 0.988 665 G CA 0.539 45.564 45.100 -0.125 0.000 0.625 665 G HN 0.589 nan 8.290 nan 0.000 0.527 666 H N 0.399 119.524 119.070 0.092 0.000 2.559 666 H HA 0.567 5.120 4.556 -0.005 0.000 0.343 666 H C 0.349 175.566 175.328 -0.185 0.000 1.209 666 H CA -0.338 55.656 56.048 -0.089 0.000 1.287 666 H CB 1.374 31.059 29.762 -0.129 0.000 1.650 666 H HN 0.284 nan 8.280 nan 0.000 0.567 667 E N 2.668 122.572 120.200 -0.493 0.000 2.413 667 E HA 0.074 4.422 4.350 -0.005 0.000 0.263 667 E C -2.323 174.274 176.600 -0.005 0.000 1.015 667 E CA -1.363 54.938 56.400 -0.166 0.000 0.916 667 E CB 0.292 29.822 29.700 -0.284 0.000 0.947 667 E HN 0.255 nan 8.360 nan 0.000 0.440 668 P HA 0.060 nan 4.420 nan 0.000 0.275 668 P C -0.804 176.480 177.300 -0.026 0.000 1.228 668 P CA -0.465 62.662 63.100 0.044 0.000 0.786 668 P CB 0.891 32.639 31.700 0.079 0.000 0.927 669 C N 5.251 124.531 119.300 -0.032 0.000 2.346 669 C HA 0.497 4.954 4.460 -0.005 0.000 0.326 669 C C -0.260 174.705 174.990 -0.042 0.000 1.224 669 C CA -0.766 58.222 59.018 -0.051 0.000 1.408 669 C CB -1.028 26.690 27.740 -0.038 0.000 2.089 669 C HN 0.434 nan 8.230 nan 0.000 0.456 670 L N 6.601 127.787 121.223 -0.062 0.000 2.305 670 L HA 0.549 4.886 4.340 -0.005 0.000 0.281 670 L C 0.153 177.023 176.870 -0.001 0.000 1.085 670 L CA 0.171 54.990 54.840 -0.036 0.000 0.813 670 L CB 1.172 43.200 42.059 -0.051 0.000 1.157 670 L HN 0.699 nan 8.230 nan 0.000 0.436 671 M N 3.042 122.652 119.600 0.017 0.000 2.378 671 M HA 0.334 4.811 4.480 -0.005 0.000 0.289 671 M C -0.738 175.606 176.300 0.073 0.000 1.136 671 M CA -0.645 54.685 55.300 0.051 0.000 0.917 671 M CB 2.253 34.877 32.600 0.040 0.000 1.669 671 M HN 0.570 nan 8.290 nan 0.000 0.461 672 H N 4.889 123.969 119.070 0.016 0.000 2.790 672 H HA 0.197 4.750 4.556 -0.005 0.000 0.358 672 H C -2.075 173.262 175.328 0.015 0.000 1.103 672 H CA -0.422 55.636 56.048 0.018 0.000 1.426 672 H CB 1.329 31.103 29.762 0.020 0.000 1.424 672 H HN 0.466 nan 8.280 nan 0.000 0.599 673 P HA -0.165 nan 4.420 nan 0.000 0.216 673 P C 0.823 178.203 177.300 0.134 0.000 1.154 673 P CA 1.432 64.510 63.100 -0.037 0.000 0.865 673 P CB 0.373 31.986 31.700 -0.145 0.000 0.789 674 D N -1.035 119.582 120.400 0.363 0.000 2.149 674 D HA -0.117 4.520 4.640 -0.005 0.000 0.201 674 D C 1.568 177.945 176.300 0.129 0.000 0.972 674 D CA 0.996 55.123 54.000 0.211 0.000 0.835 674 D CB -0.713 40.192 40.800 0.175 0.000 0.966 674 D HN 0.177 nan 8.370 nan 0.000 0.476 675 D N 0.293 120.781 120.400 0.147 0.000 2.149 675 D HA -0.027 4.610 4.640 -0.005 0.000 0.201 675 D C 1.983 178.327 176.300 0.073 0.000 0.972 675 D CA 0.886 54.935 54.000 0.083 0.000 0.835 675 D CB -0.066 40.781 40.800 0.079 0.000 0.966 675 D HN 0.123 nan 8.370 nan 0.000 0.476 676 A N 1.306 124.173 122.820 0.079 0.000 1.873 676 A HA 0.006 4.323 4.320 -0.005 0.000 0.215 676 A C 2.343 179.954 177.584 0.045 0.000 1.186 676 A CA 1.967 54.036 52.037 0.053 0.000 0.616 676 A CB -0.693 18.332 19.000 0.041 0.000 0.823 676 A HN 0.214 nan 8.150 nan 0.000 0.442 677 A N -0.050 122.799 122.820 0.048 0.000 1.940 677 A HA 0.122 4.439 4.320 -0.005 0.000 0.219 677 A C 2.440 180.046 177.584 0.036 0.000 1.176 677 A CA 2.101 54.161 52.037 0.039 0.000 0.631 677 A CB -0.959 18.065 19.000 0.041 0.000 0.814 677 A HN 1.110 nan 8.150 nan 0.000 0.446 678 A N -0.601 122.243 122.820 0.040 0.000 2.067 678 A HA -0.086 4.231 4.320 -0.005 0.000 0.219 678 A C 2.079 179.683 177.584 0.034 0.000 1.158 678 A CA 1.368 53.425 52.037 0.034 0.000 0.661 678 A CB -0.287 18.734 19.000 0.034 0.000 0.801 678 A HN 0.554 nan 8.150 nan 0.000 0.452 679 R N -1.598 118.925 120.500 0.038 0.000 2.397 679 R HA 0.285 4.622 4.340 -0.005 0.000 0.241 679 R C 0.964 177.285 176.300 0.034 0.000 0.914 679 R CA 0.433 56.556 56.100 0.039 0.000 1.071 679 R CB 0.212 30.540 30.300 0.046 0.000 1.116 679 R HN 0.561 nan 8.270 nan 0.000 0.524 680 G N 1.960 110.778 108.800 0.029 0.000 2.246 680 G HA2 -0.274 3.683 3.960 -0.005 0.000 0.273 680 G HA3 -0.274 3.683 3.960 -0.005 0.000 0.273 680 G C -0.014 174.901 174.900 0.024 0.000 1.055 680 G CA -0.010 45.104 45.100 0.024 0.000 0.851 680 G HN 0.251 nan 8.290 nan 0.000 0.500 681 I N 0.639 121.226 120.570 0.028 0.000 2.359 681 I HA 0.650 4.817 4.170 -0.005 0.000 0.294 681 I C 0.660 176.791 176.117 0.023 0.000 0.987 681 I CA -0.436 60.880 61.300 0.027 0.000 1.225 681 I CB 1.789 39.808 38.000 0.032 0.000 1.366 681 I HN 0.312 nan 8.210 nan 0.000 0.466 682 A N 4.020 126.852 122.820 0.020 0.000 2.330 682 A HA 0.409 4.726 4.320 -0.005 0.000 0.329 682 A C -0.742 176.851 177.584 0.016 0.000 1.135 682 A CA -0.635 51.411 52.037 0.016 0.000 0.817 682 A CB 0.959 19.968 19.000 0.014 0.000 1.269 682 A HN 0.741 nan 8.150 nan 0.000 0.469 683 D N 0.110 120.516 120.400 0.011 0.000 2.487 683 D HA 0.366 5.003 4.640 -0.005 0.000 0.243 683 D C 1.334 177.644 176.300 0.016 0.000 1.154 683 D CA 2.292 56.298 54.000 0.010 0.000 0.876 683 D CB 0.182 40.985 40.800 0.004 0.000 1.161 683 D HN 1.302 nan 8.370 nan 0.000 0.478 684 G N 3.028 111.841 108.800 0.021 0.000 2.194 684 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.236 684 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.236 684 G C 0.076 174.999 174.900 0.038 0.000 0.987 684 G CA 0.008 45.127 45.100 0.030 0.000 0.635 684 G HN 0.616 nan 8.290 nan 0.000 0.520 685 D N 0.347 120.767 120.400 0.033 0.000 2.382 685 D HA 0.441 5.078 4.640 -0.005 0.000 0.240 685 D C 0.804 177.124 176.300 0.033 0.000 1.146 685 D CA -0.047 53.976 54.000 0.038 0.000 0.897 685 D CB 1.588 42.408 40.800 0.034 0.000 1.197 685 D HN 0.155 nan 8.370 nan 0.000 0.432 686 V N 2.076 122.015 119.914 0.042 0.000 2.498 686 V HA 0.301 4.418 4.120 -0.005 0.000 0.279 686 V C 0.426 176.528 176.094 0.013 0.000 1.048 686 V CA -0.407 61.881 62.300 -0.020 0.000 0.967 686 V CB 1.170 32.986 31.823 -0.012 0.000 0.988 686 V HN 0.375 nan 8.190 nan 0.000 0.473 687 V N 3.044 122.930 119.914 -0.047 0.000 2.914 687 V HA 0.702 4.819 4.120 -0.005 0.000 0.314 687 V C -0.414 175.664 176.094 -0.026 0.000 1.084 687 V CA -1.233 61.076 62.300 0.015 0.000 0.963 687 V CB 1.929 33.761 31.823 0.015 0.000 1.025 687 V HN 0.834 nan 8.190 nan 0.000 0.432 688 R N 2.054 122.589 120.500 0.059 0.000 2.255 688 R HA 0.732 5.069 4.340 -0.005 0.000 0.326 688 R C -1.502 174.860 176.300 0.104 0.000 0.986 688 R CA -0.426 55.698 56.100 0.040 0.000 0.847 688 R CB 1.618 31.984 30.300 0.109 0.000 1.111 688 R HN 0.774 nan 8.270 nan 0.000 0.452 689 V N 5.625 125.570 119.914 0.051 0.000 2.398 689 V HA 0.383 4.500 4.120 -0.005 0.000 0.286 689 V C -0.593 175.536 176.094 0.060 0.000 1.026 689 V CA -0.599 61.720 62.300 0.032 0.000 0.868 689 V CB 1.042 32.846 31.823 -0.033 0.000 0.982 689 V HN 1.006 nan 8.190 nan 0.000 0.443 690 H N 2.675 121.674 119.070 -0.118 0.000 3.037 690 H HA 0.860 5.413 4.556 -0.005 0.000 0.355 690 H C -0.741 174.358 175.328 -0.381 0.000 1.263 690 H CA -0.877 55.073 56.048 -0.164 0.000 1.129 690 H CB 1.847 31.565 29.762 -0.075 0.000 1.861 690 H HN 0.587 nan 8.280 nan 0.000 0.546 691 N N -0.241 118.238 118.700 -0.368 0.000 3.522 691 N HA 0.141 4.878 4.740 -0.005 0.000 0.328 691 N C -0.460 174.961 175.510 -0.149 0.000 1.623 691 N CA -0.619 51.968 53.050 -0.770 0.000 0.812 691 N CB 0.028 37.998 38.487 -0.862 0.000 2.008 691 N HN 0.570 nan 8.380 nan 0.000 0.601 692 D N -0.547 119.868 120.400 0.026 0.000 2.312 692 D HA 0.037 4.674 4.640 -0.005 0.000 0.211 692 D C 1.124 177.451 176.300 0.046 0.000 0.964 692 D CA 0.791 54.864 54.000 0.123 0.000 0.877 692 D CB 0.202 41.103 40.800 0.169 0.000 0.924 692 D HN 0.429 nan 8.370 nan 0.000 0.515 693 R N -0.198 120.298 120.500 -0.006 0.000 2.189 693 R HA 0.314 4.651 4.340 -0.005 0.000 0.203 693 R C 1.230 177.520 176.300 -0.017 0.000 1.012 693 R CA 0.500 56.589 56.100 -0.018 0.000 1.015 693 R CB 0.772 31.044 30.300 -0.046 0.000 0.938 693 R HN 0.045 nan 8.270 nan 0.000 0.472 694 G N 0.122 108.912 108.800 -0.018 0.000 2.488 694 G HA2 0.305 4.262 3.960 -0.005 0.000 0.301 694 G HA3 0.305 4.262 3.960 -0.005 0.000 0.301 694 G C -1.981 172.934 174.900 0.025 0.000 1.339 694 G CA -0.806 44.298 45.100 0.006 0.000 0.803 694 G HN 0.104 nan 8.290 nan 0.000 0.482 695 Q N -1.075 118.750 119.800 0.042 0.000 2.284 695 Q HA 0.704 5.041 4.340 -0.005 0.000 0.269 695 Q C -0.951 175.070 176.000 0.035 0.000 1.026 695 Q CA -1.013 54.821 55.803 0.052 0.000 0.831 695 Q CB 2.447 31.211 28.738 0.043 0.000 1.322 695 Q HN 1.141 nan 8.270 nan 0.000 0.419 696 I N -1.060 119.518 120.570 0.012 0.000 3.074 696 I HA 0.667 4.834 4.170 -0.005 0.000 0.310 696 I C -1.506 174.559 176.117 -0.086 0.000 1.153 696 I CA -1.698 59.597 61.300 -0.008 0.000 0.993 696 I CB 2.029 40.040 38.000 0.019 0.000 1.237 696 I HN 0.627 nan 8.210 nan 0.000 0.443 697 L N 2.548 123.684 121.223 -0.145 0.000 2.317 697 L HA 0.711 5.048 4.340 -0.005 0.000 0.281 697 L C -0.076 176.639 176.870 -0.259 0.000 1.024 697 L CA -0.367 54.300 54.840 -0.289 0.000 0.810 697 L CB 1.927 43.685 42.059 -0.502 0.000 1.240 697 L HN 0.880 nan 8.230 nan 0.000 0.427 698 T N -1.166 113.228 114.554 -0.266 0.000 2.865 698 T HA 0.709 5.056 4.350 -0.005 0.000 0.294 698 T C -0.296 174.305 174.700 -0.164 0.000 1.119 698 T CA -0.795 61.200 62.100 -0.175 0.000 1.007 698 T CB 1.923 70.732 68.868 -0.098 0.000 1.225 698 T HN 0.646 nan 8.240 nan 0.000 0.515 699 G N 0.244 109.021 108.800 -0.040 0.000 2.416 699 G HA2 0.578 4.536 3.960 -0.005 0.000 0.324 699 G HA3 0.578 4.536 3.960 -0.005 0.000 0.324 699 G C -0.781 174.125 174.900 0.010 0.000 1.194 699 G CA -0.691 44.416 45.100 0.013 0.000 0.922 699 G HN 0.795 nan 8.290 nan 0.000 0.467 700 V N 2.272 122.191 119.914 0.009 0.000 2.607 700 V HA 0.385 4.502 4.120 -0.005 0.000 0.289 700 V C 0.147 176.248 176.094 0.012 0.000 1.053 700 V CA -0.447 61.857 62.300 0.007 0.000 0.996 700 V CB 1.463 33.292 31.823 0.009 0.000 0.995 700 V HN 0.626 nan 8.190 nan 0.000 0.476 701 K N 3.428 123.831 120.400 0.005 0.000 2.483 701 K HA 0.517 4.834 4.320 -0.005 0.000 0.256 701 K C -1.229 175.367 176.600 -0.005 0.000 0.961 701 K CA -0.630 55.659 56.287 0.003 0.000 0.873 701 K CB 2.126 34.628 32.500 0.002 0.000 1.107 701 K HN 0.430 nan 8.250 nan 0.000 0.432 702 V N 3.357 123.266 119.914 -0.008 0.000 2.455 702 V HA 0.245 4.362 4.120 -0.005 0.000 0.273 702 V C -0.056 176.015 176.094 -0.039 0.000 1.045 702 V CA 0.165 62.454 62.300 -0.019 0.000 0.976 702 V CB 0.966 32.778 31.823 -0.019 0.000 0.993 702 V HN 0.839 nan 8.190 nan 0.000 0.475 703 T N 2.193 116.713 114.554 -0.057 0.000 2.932 703 T HA 0.262 4.609 4.350 -0.005 0.000 0.318 703 T C -0.091 174.533 174.700 -0.127 0.000 1.265 703 T CA -0.637 61.420 62.100 -0.071 0.000 1.036 703 T CB 1.732 70.581 68.868 -0.031 0.000 1.209 703 T HN 0.747 nan 8.240 nan 0.000 0.484 704 D N 0.403 120.713 120.400 -0.150 0.000 2.336 704 D HA 0.238 4.875 4.640 -0.005 0.000 0.228 704 D C 1.606 177.920 176.300 0.023 0.000 1.120 704 D CA -0.120 53.777 54.000 -0.171 0.000 0.839 704 D CB -0.232 40.447 40.800 -0.203 0.000 0.932 704 D HN 0.554 nan 8.370 nan 0.000 0.509 705 A N 0.415 123.254 122.820 0.032 0.000 1.969 705 A HA 0.082 4.399 4.320 -0.005 0.000 0.218 705 A C 1.293 178.952 177.584 0.124 0.000 1.169 705 A CA 1.059 53.142 52.037 0.077 0.000 0.635 705 A CB -0.593 18.435 19.000 0.046 0.000 0.810 705 A HN 0.337 nan 8.150 nan 0.000 0.445 706 V N -1.113 118.872 119.914 0.118 0.000 2.509 706 V HA 0.557 4.674 4.120 -0.005 0.000 0.284 706 V C 0.151 176.366 176.094 0.202 0.000 1.047 706 V CA -0.917 61.468 62.300 0.142 0.000 0.952 706 V CB 0.680 32.570 31.823 0.110 0.000 0.988 706 V HN 0.557 nan 8.190 nan 0.000 0.469 707 M N 1.675 121.361 119.600 0.143 0.000 2.240 707 M HA 0.435 4.912 4.480 -0.005 0.000 0.333 707 M C 0.169 176.472 176.300 0.004 0.000 1.110 707 M CA -0.336 55.014 55.300 0.083 0.000 1.173 707 M CB 0.157 32.763 32.600 0.010 0.000 1.458 707 M HN 0.741 nan 8.290 nan 0.000 0.458 708 K N 1.328 121.597 120.400 -0.218 0.000 2.484 708 K HA 0.218 4.535 4.320 -0.005 0.000 0.280 708 K C 0.915 177.442 176.600 -0.122 0.000 1.013 708 K CA 1.538 57.614 56.287 -0.351 0.000 1.029 708 K CB -0.076 32.134 32.500 -0.483 0.000 0.902 708 K HN 0.968 nan 8.250 nan 0.000 0.481 709 G N 1.728 110.495 108.800 -0.055 0.000 2.176 709 G HA2 -0.208 3.749 3.960 -0.005 0.000 0.232 709 G HA3 -0.208 3.749 3.960 -0.005 0.000 0.232 709 G C -0.456 174.479 174.900 0.057 0.000 0.986 709 G CA 0.005 45.106 45.100 0.003 0.000 0.643 709 G HN 0.544 nan 8.290 nan 0.000 0.522 710 V N 2.296 122.250 119.914 0.067 0.000 2.588 710 V HA 0.727 4.844 4.120 -0.005 0.000 0.304 710 V C 0.409 176.561 176.094 0.097 0.000 1.042 710 V CA -0.533 61.835 62.300 0.114 0.000 0.877 710 V CB 1.819 33.712 31.823 0.117 0.000 0.996 710 V HN 0.691 nan 8.190 nan 0.000 0.425 711 I N 1.498 122.120 120.570 0.086 0.000 2.562 711 I HA 0.699 4.866 4.170 -0.005 0.000 0.301 711 I C -0.551 175.585 176.117 0.031 0.000 1.003 711 I CA -0.686 60.641 61.300 0.046 0.000 1.127 711 I CB 1.887 39.898 38.000 0.019 0.000 1.304 711 I HN 0.663 nan 8.210 nan 0.000 0.446 712 Q N 5.592 125.382 119.800 -0.017 0.000 2.347 712 Q HA 0.617 4.954 4.340 -0.005 0.000 0.262 712 Q C -1.610 174.299 176.000 -0.152 0.000 0.980 712 Q CA -0.614 55.141 55.803 -0.080 0.000 0.867 712 Q CB 1.579 30.226 28.738 -0.153 0.000 1.242 712 Q HN 0.784 nan 8.270 nan 0.000 0.453 713 I N 4.678 125.186 120.570 -0.104 0.000 2.476 713 I HA 0.230 4.397 4.170 -0.005 0.000 0.281 713 I C -0.990 175.144 176.117 0.029 0.000 1.040 713 I CA -0.866 60.388 61.300 -0.076 0.000 1.094 713 I CB 0.780 38.765 38.000 -0.024 0.000 1.219 713 I HN 0.564 nan 8.210 nan 0.000 0.450 714 Y N 3.771 124.111 120.300 0.068 0.000 2.550 714 Y HA 0.080 4.627 4.550 -0.005 0.000 0.343 714 Y C 1.020 176.973 175.900 0.088 0.000 1.245 714 Y CA -0.701 57.450 58.100 0.084 0.000 1.462 714 Y CB 0.410 38.907 38.460 0.062 0.000 1.340 714 Y HN 0.562 nan 8.280 nan 0.000 0.604 715 E N -0.249 120.111 120.200 0.266 0.000 2.392 715 E HA 0.479 4.826 4.350 -0.005 0.000 0.259 715 E C 0.950 177.656 176.600 0.176 0.000 1.108 715 E CA 0.070 56.571 56.400 0.167 0.000 0.916 715 E CB 0.454 30.209 29.700 0.092 0.000 0.989 715 E HN 0.744 nan 8.360 nan 0.000 0.432 716 G N 0.407 109.327 108.800 0.201 0.000 2.201 716 G HA2 -0.156 3.801 3.960 -0.005 0.000 0.212 716 G HA3 -0.156 3.801 3.960 -0.005 0.000 0.212 716 G C 0.476 175.617 174.900 0.401 0.000 0.994 716 G CA -0.348 44.914 45.100 0.270 0.000 0.644 716 G HN 0.932 nan 8.290 nan 0.000 0.508 717 G N -0.338 108.717 108.800 0.426 0.000 2.406 717 G HA2 0.367 4.324 3.960 -0.005 0.000 0.251 717 G HA3 0.367 4.324 3.960 -0.005 0.000 0.251 717 G C 0.099 175.409 174.900 0.684 0.000 1.271 717 G CA -0.323 45.165 45.100 0.647 0.000 0.859 717 G HN 0.262 nan 8.290 nan 0.000 0.540 718 W N 2.220 123.693 121.300 0.288 0.000 2.659 718 W HA 0.207 4.864 4.660 -0.005 0.000 0.342 718 W C 0.331 176.947 176.519 0.161 0.000 1.287 718 W CA -1.416 55.994 57.345 0.108 0.000 1.460 718 W CB -0.789 28.595 29.460 -0.127 0.000 1.503 718 W HN 0.461 nan 8.180 nan 0.000 0.483 719 Y N 3.907 124.362 120.300 0.258 0.000 2.881 719 Y HA -0.094 4.453 4.550 -0.005 0.000 0.335 719 Y C 0.294 176.261 175.900 0.113 0.000 1.263 719 Y CA 0.810 59.013 58.100 0.172 0.000 1.572 719 Y CB 0.225 38.742 38.460 0.095 0.000 1.237 719 Y HN 0.345 nan 8.280 nan 0.000 0.568 720 D N 9.067 129.343 120.400 -0.206 0.000 2.443 720 D HA 0.289 4.926 4.640 -0.005 0.000 0.281 720 D C -3.012 173.061 176.300 -0.378 0.000 1.210 720 D CA -2.164 51.667 54.000 -0.281 0.000 0.875 720 D CB 0.695 41.435 40.800 -0.100 0.000 1.125 720 D HN 0.257 nan 8.370 nan 0.000 0.503 721 P HA 0.051 nan 4.420 nan 0.000 0.268 721 P C 0.691 177.873 177.300 -0.196 0.000 1.204 721 P CA -0.122 62.721 63.100 -0.429 0.000 0.768 721 P CB 1.525 32.960 31.700 -0.443 0.000 0.842 722 S N 0.948 116.585 115.700 -0.105 0.000 2.368 722 S HA -0.114 4.353 4.470 -0.005 0.000 0.225 722 S C 0.739 175.304 174.600 -0.059 0.000 1.030 722 S CA 1.464 59.627 58.200 -0.062 0.000 0.999 722 S CB -0.336 62.849 63.200 -0.025 0.000 0.844 722 S HN 0.653 nan 8.310 nan 0.000 0.459 723 D N 0.068 120.440 120.400 -0.047 0.000 2.616 723 D HA 0.215 4.852 4.640 -0.005 0.000 0.238 723 D C 0.746 177.033 176.300 -0.021 0.000 1.354 723 D CA -0.367 53.611 54.000 -0.038 0.000 0.970 723 D CB 1.479 42.268 40.800 -0.019 0.000 1.369 723 D HN 0.002 nan 8.370 nan 0.000 0.585 724 V N 2.041 121.934 119.914 -0.036 0.000 2.594 724 V HA -0.117 4.000 4.120 -0.005 0.000 0.253 724 V C 1.814 177.926 176.094 0.029 0.000 1.069 724 V CA 2.283 64.587 62.300 0.005 0.000 1.082 724 V CB -1.459 30.345 31.823 -0.032 0.000 0.680 724 V HN 0.683 nan 8.190 nan 0.000 0.469 725 T N -1.554 113.004 114.554 0.007 0.000 3.113 725 T HA 0.036 4.384 4.350 -0.005 0.000 0.256 725 T C 0.791 175.505 174.700 0.025 0.000 1.131 725 T CA 0.592 62.702 62.100 0.017 0.000 1.074 725 T CB -0.369 68.500 68.868 0.002 0.000 0.944 725 T HN 0.772 nan 8.240 nan 0.000 0.516 726 E N 3.415 123.630 120.200 0.026 0.000 2.130 726 E HA 0.253 4.600 4.350 -0.005 0.000 0.284 726 E C -2.491 174.135 176.600 0.044 0.000 1.018 726 E CA -2.924 53.493 56.400 0.029 0.000 0.817 726 E CB 0.936 30.649 29.700 0.021 0.000 1.078 726 E HN 0.187 nan 8.360 nan 0.000 0.396 727 P HA 0.045 nan 4.420 nan 0.000 0.263 727 P C 0.501 177.829 177.300 0.048 0.000 1.195 727 P CA 0.743 63.871 63.100 0.047 0.000 0.762 727 P CB 0.709 32.432 31.700 0.038 0.000 0.799 728 G N 1.687 110.521 108.800 0.058 0.000 2.153 728 G HA2 -0.252 3.705 3.960 -0.005 0.000 0.252 728 G HA3 -0.252 3.705 3.960 -0.005 0.000 0.252 728 G C 0.451 175.389 174.900 0.064 0.000 0.994 728 G CA 0.282 45.416 45.100 0.057 0.000 0.698 728 G HN 0.794 nan 8.290 nan 0.000 0.521 729 T N -0.067 114.531 114.554 0.074 0.000 2.939 729 T HA 0.291 4.638 4.350 -0.005 0.000 0.319 729 T C 0.843 175.583 174.700 0.067 0.000 1.082 729 T CA 0.241 62.377 62.100 0.059 0.000 1.133 729 T CB 0.262 69.158 68.868 0.047 0.000 1.019 729 T HN 1.065 nan 8.240 nan 0.000 0.548 730 L N 4.621 125.864 121.223 0.035 0.000 2.455 730 L HA 0.287 4.624 4.340 -0.005 0.000 0.272 730 L C 0.086 176.965 176.870 0.015 0.000 1.174 730 L CA -0.074 54.778 54.840 0.020 0.000 0.869 730 L CB 0.556 42.606 42.059 -0.014 0.000 1.130 730 L HN 0.625 nan 8.230 nan 0.000 0.474 731 D N 3.585 124.019 120.400 0.055 0.000 2.295 731 D HA 0.125 4.762 4.640 -0.005 0.000 0.248 731 D C 0.539 176.857 176.300 0.030 0.000 1.154 731 D CA 0.040 54.076 54.000 0.060 0.000 0.857 731 D CB 0.973 41.914 40.800 0.234 0.000 1.117 731 D HN 0.609 nan 8.370 nan 0.000 0.468 732 K N 2.928 123.344 120.400 0.027 0.000 2.366 732 K HA -0.107 4.210 4.320 -0.005 0.000 0.198 732 K C 0.824 177.574 176.600 0.250 0.000 1.044 732 K CA 0.536 56.874 56.287 0.084 0.000 0.973 732 K CB 0.183 32.725 32.500 0.070 0.000 0.767 732 K HN 0.513 nan 8.250 nan 0.000 0.475 733 Y N 0.359 120.743 120.300 0.140 0.000 2.314 733 Y HA 0.189 4.736 4.550 -0.005 0.000 0.294 733 Y C 0.766 176.817 175.900 0.253 0.000 1.139 733 Y CA 1.012 59.247 58.100 0.226 0.000 1.162 733 Y CB 1.096 39.658 38.460 0.171 0.000 1.121 733 Y HN 0.025 nan 8.280 nan 0.000 0.529 734 G N 1.746 110.563 108.800 0.028 0.000 2.587 734 G HA2 -0.083 3.874 3.960 -0.005 0.000 0.216 734 G HA3 -0.083 3.874 3.960 -0.005 0.000 0.216 734 G C -1.651 173.337 174.900 0.145 0.000 1.124 734 G CA -0.253 44.818 45.100 -0.049 0.000 0.858 734 G HN 0.329 nan 8.290 nan 0.000 0.523 735 D N 0.752 121.304 120.400 0.253 0.000 2.347 735 D HA 0.354 4.992 4.640 -0.005 0.000 0.235 735 D C 1.338 177.707 176.300 0.116 0.000 1.149 735 D CA -0.140 54.005 54.000 0.242 0.000 0.850 735 D CB 1.612 42.581 40.800 0.282 0.000 1.061 735 D HN 0.168 nan 8.370 nan 0.000 0.487 736 V N 4.657 124.625 119.914 0.090 0.000 2.913 736 V HA -0.139 3.978 4.120 -0.005 0.000 0.260 736 V C 1.346 177.435 176.094 -0.008 0.000 1.098 736 V CA 1.224 63.545 62.300 0.036 0.000 1.121 736 V CB -0.489 31.366 31.823 0.052 0.000 0.714 736 V HN 0.541 nan 8.190 nan 0.000 0.487 737 N N -0.244 118.442 118.700 -0.025 0.000 2.515 737 N HA 0.001 4.738 4.740 -0.005 0.000 0.191 737 N C 1.370 176.795 175.510 -0.142 0.000 1.182 737 N CA 0.675 53.668 53.050 -0.094 0.000 0.879 737 N CB 0.571 38.985 38.487 -0.121 0.000 0.984 737 N HN 0.408 nan 8.380 nan 0.000 0.453 738 V N 0.363 120.213 119.914 -0.106 0.000 2.871 738 V HA -0.039 4.078 4.120 -0.005 0.000 0.256 738 V C 1.892 177.937 176.094 -0.082 0.000 1.082 738 V CA 1.031 63.267 62.300 -0.106 0.000 1.105 738 V CB -0.086 31.728 31.823 -0.015 0.000 0.713 738 V HN 0.277 nan 8.190 nan 0.000 0.473 739 L N -0.434 120.740 121.223 -0.080 0.000 2.609 739 L HA 0.204 4.541 4.340 -0.005 0.000 0.230 739 L C 1.325 178.134 176.870 -0.102 0.000 1.087 739 L CA 0.083 54.867 54.840 -0.094 0.000 0.874 739 L CB -0.008 41.991 42.059 -0.100 0.000 1.114 739 L HN 0.381 nan 8.230 nan 0.000 0.488 740 S N 0.512 116.152 115.700 -0.100 0.000 2.614 740 S HA 0.632 5.099 4.470 -0.005 0.000 0.265 740 S C 0.054 174.589 174.600 -0.108 0.000 1.303 740 S CA -0.576 57.565 58.200 -0.097 0.000 1.000 740 S CB 1.795 64.942 63.200 -0.088 0.000 0.935 740 S HN 0.119 nan 8.310 nan 0.000 0.551 741 A N 0.375 123.135 122.820 -0.100 0.000 2.312 741 A HA 0.556 4.873 4.320 -0.005 0.000 0.328 741 A C -0.409 177.100 177.584 -0.124 0.000 1.158 741 A CA -0.654 51.321 52.037 -0.104 0.000 0.821 741 A CB 0.628 19.570 19.000 -0.097 0.000 1.170 741 A HN 0.832 nan 8.150 nan 0.000 0.490 742 D N 1.712 122.041 120.400 -0.120 0.000 2.493 742 D HA 0.474 5.111 4.640 -0.005 0.000 0.235 742 D C -0.417 175.835 176.300 -0.079 0.000 1.117 742 D CA -0.020 53.909 54.000 -0.117 0.000 0.930 742 D CB -0.333 40.411 40.800 -0.093 0.000 1.010 742 D HN 0.514 nan 8.370 nan 0.000 0.514 743 I N -1.098 119.416 120.570 -0.093 0.000 2.969 743 I HA 0.807 4.974 4.170 -0.005 0.000 0.307 743 I C 0.345 176.419 176.117 -0.072 0.000 1.149 743 I CA -1.440 59.801 61.300 -0.097 0.000 1.008 743 I CB 2.050 39.941 38.000 -0.181 0.000 1.232 743 I HN 0.152 nan 8.210 nan 0.000 0.435 744 G N 1.077 109.850 108.800 -0.044 0.000 2.476 744 G HA2 0.390 4.347 3.960 -0.005 0.000 0.269 744 G HA3 0.390 4.347 3.960 -0.005 0.000 0.269 744 G C 0.896 175.810 174.900 0.024 0.000 1.195 744 G CA 0.169 45.263 45.100 -0.009 0.000 0.843 744 G HN 0.927 nan 8.290 nan 0.000 0.545 745 T N -1.661 112.919 114.554 0.044 0.000 2.720 745 T HA 0.026 4.373 4.350 -0.005 0.000 0.268 745 T C 1.258 176.009 174.700 0.085 0.000 1.037 745 T CA 1.520 63.668 62.100 0.081 0.000 1.144 745 T CB -0.392 68.513 68.868 0.063 0.000 0.864 745 T HN 1.526 nan 8.240 nan 0.000 0.444 746 S N -0.908 114.821 115.700 0.048 0.000 2.655 746 S HA 0.434 4.901 4.470 -0.005 0.000 0.266 746 S C -0.095 174.453 174.600 -0.086 0.000 1.149 746 S CA -1.005 57.206 58.200 0.018 0.000 0.818 746 S CB 1.336 64.561 63.200 0.042 0.000 1.130 746 S HN 0.104 nan 8.310 nan 0.000 0.476 747 K N -0.229 120.017 120.400 -0.257 0.000 2.362 747 K HA 0.116 4.433 4.320 -0.005 0.000 0.200 747 K C 1.707 177.966 176.600 -0.567 0.000 1.046 747 K CA 0.978 56.949 56.287 -0.527 0.000 0.952 747 K CB -0.428 31.410 32.500 -1.104 0.000 0.753 747 K HN 0.452 nan 8.250 nan 0.000 0.466 748 L N 0.328 121.339 121.223 -0.354 0.000 1.988 748 L HA -0.132 4.205 4.340 -0.005 0.000 0.207 748 L C 2.004 178.738 176.870 -0.225 0.000 1.071 748 L CA 1.949 56.691 54.840 -0.164 0.000 0.744 748 L CB -0.225 41.810 42.059 -0.040 0.000 0.893 748 L HN 0.097 nan 8.230 nan 0.000 0.433 749 A N -3.143 119.626 122.820 -0.085 0.000 2.167 749 A HA 0.114 4.431 4.320 -0.005 0.000 0.208 749 A C 0.793 178.521 177.584 0.240 0.000 1.198 749 A CA 0.164 52.220 52.037 0.032 0.000 0.863 749 A CB 0.190 19.209 19.000 0.033 0.000 0.904 749 A HN 0.503 nan 8.150 nan 0.000 0.484 750 Q N -0.754 119.128 119.800 0.136 0.000 2.475 750 Q HA -0.176 4.161 4.340 -0.005 0.000 0.280 750 Q C 0.565 176.590 176.000 0.041 0.000 1.234 750 Q CA 0.850 56.717 55.803 0.106 0.000 0.873 750 Q CB -2.502 26.333 28.738 0.160 0.000 1.256 750 Q HN 0.783 nan 8.270 nan 0.000 0.475 751 G N 1.074 109.892 108.800 0.030 0.000 2.599 751 G HA2 0.321 4.278 3.960 -0.005 0.000 0.264 751 G HA3 0.321 4.278 3.960 -0.005 0.000 0.264 751 G C 0.328 175.199 174.900 -0.049 0.000 1.200 751 G CA 0.033 45.118 45.100 -0.024 0.000 0.896 751 G HN 0.481 nan 8.290 nan 0.000 0.536 752 N N -2.502 116.144 118.700 -0.090 0.000 2.483 752 N HA 0.294 5.031 4.740 -0.005 0.000 0.269 752 N C -0.337 175.189 175.510 0.025 0.000 1.209 752 N CA -0.615 52.408 53.050 -0.045 0.000 0.969 752 N CB 1.476 39.944 38.487 -0.033 0.000 1.173 752 N HN 0.219 nan 8.380 nan 0.000 0.475 753 C N 1.760 121.071 119.300 0.019 0.000 2.534 753 C HA 0.461 4.918 4.460 -0.005 0.000 0.285 753 C C 1.770 176.789 174.990 0.049 0.000 1.505 753 C CA -0.758 58.286 59.018 0.043 0.000 1.715 753 C CB -0.974 26.767 27.740 0.002 0.000 2.935 753 C HN 0.999 nan 8.230 nan 0.000 0.540 754 G N 0.340 109.190 108.800 0.084 0.000 2.535 754 G HA2 -0.154 3.803 3.960 -0.005 0.000 0.218 754 G HA3 -0.154 3.803 3.960 -0.005 0.000 0.218 754 G C 1.301 176.260 174.900 0.097 0.000 1.122 754 G CA 0.663 45.812 45.100 0.082 0.000 0.769 754 G HN 0.703 nan 8.290 nan 0.000 0.549 755 Q N -0.353 119.528 119.800 0.134 0.000 2.179 755 Q HA 0.092 4.429 4.340 -0.005 0.000 0.213 755 Q C -0.065 176.039 176.000 0.173 0.000 0.833 755 Q CA -0.063 55.840 55.803 0.165 0.000 0.990 755 Q CB 0.892 29.778 28.738 0.247 0.000 1.132 755 Q HN 0.163 nan 8.270 nan 0.000 0.493 756 T N 1.522 116.144 114.554 0.113 0.000 3.364 756 T HA 0.304 4.651 4.350 -0.005 0.000 0.323 756 T C -0.622 174.081 174.700 0.005 0.000 1.323 756 T CA 0.035 62.205 62.100 0.118 0.000 1.073 756 T CB 0.125 69.049 68.868 0.094 0.000 1.150 756 T HN -0.127 nan 8.240 nan 0.000 0.727 757 V N 4.653 124.489 119.914 -0.131 0.000 2.612 757 V HA 0.506 4.623 4.120 -0.005 0.000 0.301 757 V C -0.448 175.497 176.094 -0.247 0.000 1.059 757 V CA -0.958 61.229 62.300 -0.188 0.000 0.886 757 V CB 1.944 33.644 31.823 -0.205 0.000 1.007 757 V HN 0.594 nan 8.190 nan 0.000 0.426 758 L N 3.709 124.869 121.223 -0.105 0.000 2.342 758 L HA 1.036 5.373 4.340 -0.005 0.000 0.271 758 L C 0.138 176.930 176.870 -0.129 0.000 1.008 758 L CA -0.533 54.278 54.840 -0.047 0.000 0.818 758 L CB 2.044 44.160 42.059 0.095 0.000 1.296 758 L HN 0.837 nan 8.230 nan 0.000 0.427 759 A N 1.706 124.443 122.820 -0.139 0.000 2.557 759 A HA 0.740 5.057 4.320 -0.005 0.000 0.292 759 A C -1.706 175.749 177.584 -0.216 0.000 1.139 759 A CA -0.449 51.372 52.037 -0.362 0.000 0.665 759 A CB 2.118 20.931 19.000 -0.312 0.000 1.285 759 A HN 0.606 nan 8.150 nan 0.000 0.433 760 E N -0.613 119.355 120.200 -0.386 0.000 2.244 760 E HA 0.695 5.042 4.350 -0.005 0.000 0.266 760 E C -1.619 174.869 176.600 -0.187 0.000 0.914 760 E CA -0.439 55.842 56.400 -0.198 0.000 0.794 760 E CB 1.965 31.580 29.700 -0.141 0.000 1.210 760 E HN 0.651 nan 8.360 nan 0.000 0.414 761 V N 3.469 123.372 119.914 -0.017 0.000 2.656 761 V HA 0.519 4.636 4.120 -0.005 0.000 0.307 761 V C -0.739 175.417 176.094 0.102 0.000 1.051 761 V CA -0.713 61.616 62.300 0.049 0.000 0.893 761 V CB 1.593 33.432 31.823 0.026 0.000 0.999 761 V HN 0.807 nan 8.190 nan 0.000 0.426 762 E N 2.812 123.093 120.200 0.134 0.000 2.367 762 E HA 0.509 4.856 4.350 -0.005 0.000 0.273 762 E C -1.050 175.609 176.600 0.097 0.000 0.903 762 E CA -1.128 55.341 56.400 0.116 0.000 0.764 762 E CB 2.582 32.364 29.700 0.137 0.000 1.252 762 E HN 0.494 nan 8.360 nan 0.000 0.446 763 K N 1.836 122.279 120.400 0.072 0.000 2.448 763 K HA -0.019 4.298 4.320 -0.005 0.000 0.278 763 K C -1.131 175.526 176.600 0.095 0.000 1.009 763 K CA -0.287 56.042 56.287 0.069 0.000 0.995 763 K CB 0.345 32.868 32.500 0.039 0.000 0.917 763 K HN 0.551 nan 8.250 nan 0.000 0.481 764 Y N 3.720 124.008 120.300 -0.019 0.000 2.393 764 Y HA 0.075 4.623 4.550 -0.005 0.000 0.338 764 Y C 0.526 176.417 175.900 -0.016 0.000 1.029 764 Y CA 0.273 58.357 58.100 -0.027 0.000 1.239 764 Y CB 0.924 39.352 38.460 -0.053 0.000 1.170 764 Y HN 0.731 nan 8.280 nan 0.000 0.515 765 T N 1.401 115.618 114.554 -0.561 0.000 3.091 765 T HA 0.372 4.719 4.350 -0.005 0.000 0.277 765 T C 0.839 175.176 174.700 -0.604 0.000 0.996 765 T CA 0.073 61.906 62.100 -0.444 0.000 0.897 765 T CB -0.265 68.476 68.868 -0.211 0.000 1.109 765 T HN 0.744 nan 8.240 nan 0.000 0.534 766 G N 2.819 110.908 108.800 -1.184 0.000 2.570 766 G HA2 0.517 4.474 3.960 -0.005 0.000 0.276 766 G HA3 0.517 4.474 3.960 -0.005 0.000 0.276 766 G C -2.283 172.390 174.900 -0.377 0.000 1.346 766 G CA -1.195 43.487 45.100 -0.695 0.000 1.034 766 G HN 0.260 nan 8.290 nan 0.000 0.512 767 P HA 0.316 nan 4.420 nan 0.000 0.268 767 P C 0.119 177.507 177.300 0.147 0.000 1.205 767 P CA -0.126 62.994 63.100 0.033 0.000 0.771 767 P CB 0.512 32.244 31.700 0.053 0.000 0.858 768 A N 2.641 125.527 122.820 0.111 0.000 2.507 768 A HA 0.271 4.588 4.320 -0.005 0.000 0.235 768 A C 0.042 177.716 177.584 0.151 0.000 1.070 768 A CA 0.080 52.208 52.037 0.151 0.000 0.768 768 A CB -0.024 19.032 19.000 0.093 0.000 1.011 768 A HN 0.433 nan 8.150 nan 0.000 0.502 769 V N 1.224 121.233 119.914 0.158 0.000 2.823 769 V HA 0.553 4.670 4.120 -0.005 0.000 0.312 769 V C 0.011 176.156 176.094 0.084 0.000 1.072 769 V CA -0.376 61.992 62.300 0.113 0.000 0.937 769 V CB 2.605 34.495 31.823 0.110 0.000 1.013 769 V HN 1.011 nan 8.190 nan 0.000 0.430 770 T N 6.176 120.759 114.554 0.050 0.000 2.771 770 T HA 0.559 4.906 4.350 -0.005 0.000 0.281 770 T C -0.334 174.377 174.700 0.018 0.000 0.982 770 T CA -0.252 61.866 62.100 0.029 0.000 0.978 770 T CB 0.849 69.725 68.868 0.013 0.000 0.930 770 T HN 0.383 nan 8.240 nan 0.000 0.447 771 L N 3.518 124.753 121.223 0.020 0.000 2.319 771 L HA 0.324 4.661 4.340 -0.005 0.000 0.280 771 L C 1.438 178.300 176.870 -0.013 0.000 1.099 771 L CA -0.306 54.545 54.840 0.019 0.000 0.828 771 L CB 0.741 42.840 42.059 0.067 0.000 1.150 771 L HN 0.852 nan 8.230 nan 0.000 0.442 772 T N -2.829 111.683 114.554 -0.069 0.000 3.040 772 T HA 0.097 4.444 4.350 -0.005 0.000 0.266 772 T C 1.396 176.001 174.700 -0.158 0.000 1.005 772 T CA 0.266 62.310 62.100 -0.094 0.000 0.906 772 T CB 0.621 69.428 68.868 -0.101 0.000 1.082 772 T HN 0.662 nan 8.240 nan 0.000 0.531 773 G N 0.694 109.319 108.800 -0.292 0.000 2.712 773 G HA2 0.173 4.130 3.960 -0.005 0.000 0.212 773 G HA3 0.173 4.130 3.960 -0.005 0.000 0.212 773 G C 0.438 175.085 174.900 -0.421 0.000 1.142 773 G CA -0.030 44.813 45.100 -0.428 0.000 0.789 773 G HN 0.519 nan 8.290 nan 0.000 0.535 774 F N 0.596 120.572 119.950 0.044 0.000 2.647 774 F HA 0.370 4.894 4.527 -0.005 0.000 0.300 774 F C 0.383 176.204 175.800 0.035 0.000 1.106 774 F CA -1.205 56.815 58.000 0.033 0.000 1.313 774 F CB 0.525 39.465 39.000 -0.100 0.000 1.007 774 F HN 0.002 nan 8.300 nan 0.000 0.536 775 V N -2.204 117.777 119.914 0.112 0.000 2.876 775 V HA 0.929 5.047 4.120 -0.005 0.000 0.312 775 V C 0.075 176.141 176.094 -0.046 0.000 1.085 775 V CA -1.735 60.595 62.300 0.050 0.000 0.945 775 V CB 0.999 32.828 31.823 0.010 0.000 1.017 775 V HN 0.036 nan 8.190 nan 0.000 0.428 776 A N 3.819 126.588 122.820 -0.085 0.000 2.406 776 A HA 0.684 5.001 4.320 -0.005 0.000 0.243 776 A C -2.201 175.131 177.584 -0.420 0.000 1.082 776 A CA -1.006 50.819 52.037 -0.354 0.000 0.786 776 A CB -0.794 18.060 19.000 -0.242 0.000 1.029 776 A HN 0.870 nan 8.150 nan 0.000 0.495 777 P HA 0.069 nan 4.420 nan 0.000 0.265 777 P C 0.440 177.575 177.300 -0.276 0.000 1.187 777 P CA 0.042 62.867 63.100 -0.460 0.000 0.766 777 P CB 0.452 31.804 31.700 -0.580 0.000 0.820 778 K N 2.734 123.035 120.400 -0.165 0.000 2.077 778 K HA -0.257 4.061 4.320 -0.005 0.000 0.213 778 K C 1.893 178.453 176.600 -0.066 0.000 1.051 778 K CA 2.310 58.538 56.287 -0.097 0.000 0.929 778 K CB -0.610 31.846 32.500 -0.073 0.000 0.715 778 K HN 0.521 nan 8.250 nan 0.000 0.451 779 A N 0.126 122.914 122.820 -0.053 0.000 2.121 779 A HA 0.013 4.330 4.320 -0.005 0.000 0.218 779 A C 1.921 179.519 177.584 0.024 0.000 1.154 779 A CA 1.525 53.560 52.037 -0.004 0.000 0.679 779 A CB -0.311 18.708 19.000 0.032 0.000 0.795 779 A HN 0.354 nan 8.150 nan 0.000 0.458 780 A N -0.743 122.065 122.820 -0.021 0.000 2.308 780 A HA 0.261 4.578 4.320 -0.005 0.000 0.217 780 A C 0.800 178.432 177.584 0.082 0.000 1.216 780 A CA -0.189 51.887 52.037 0.064 0.000 0.864 780 A CB -0.006 18.985 19.000 -0.016 0.000 0.902 780 A HN 0.409 nan 8.150 nan 0.000 0.499 781 E N 0.000 120.221 120.200 0.035 0.000 2.725 781 E HA 0.000 4.347 4.350 -0.005 0.000 0.291 781 E CA 0.000 56.419 56.400 0.032 0.000 0.976 781 E CB 0.000 29.703 29.700 0.004 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440