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 1e5v_1_A DATA FIRST_RESID 3 DATA SEQUENCE LANGTVMSGS HWGVFTATVE NGRATAFTPW EKDPHPSPML AGVLDSIYSP DATA SEQUENCE TRIKYPMVRR EFLEKGVNAD RSTRGNGDFV RVSWDQALDL VAAEVKRVEE DATA SEQUENCE TYGPEGVFGG SYGWKSPGRL HNCTTLLRRM LTLAGGYVNG AGDYSTGAAQ DATA SEQUENCE VIMPHVVGTL EVYEQQTAWP VLAENTEVMV FWAADPIKTS QIGWVIPEHG DATA SEQUENCE AYPGLEALKA KGTKVIVIDP VRTKTVEFFG AEHITPKPQT DVAIMLGMAH DATA SEQUENCE TLVAEDLYDK DFIANYTSGF DKFLPYLDGE TDSTPKTAEW AEGISGVPAE DATA SEQUENCE TIKELARLFE SKRTMLAAGW SMQRMHHGEQ AHWMLVTLAS MLGQIGLPGG DATA SEQUENCE GFGLSYHYSG GGTPSTSGPA LAGITDGGXX XXXXXXXXXX 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 0.000 176.872 176.870 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 42.060 42.059 0.002 0.000 0.961 4 A N 3.105 125.929 122.820 0.007 0.000 2.598 4 A HA 0.180 4.499 4.320 -0.001 0.000 0.239 4 A C -0.106 177.483 177.584 0.008 0.000 1.032 4 A CA 0.648 52.690 52.037 0.009 0.000 0.760 4 A CB -0.164 18.845 19.000 0.016 0.000 0.946 4 A HN 0.676 nan 8.150 nan 0.000 0.512 5 N N 1.127 119.830 118.700 0.005 0.000 2.410 5 N HA 0.671 5.410 4.740 -0.001 0.000 0.287 5 N C 0.042 175.553 175.510 0.002 0.000 1.044 5 N CA 0.643 53.696 53.050 0.003 0.000 0.881 5 N CB 2.128 40.614 38.487 -0.001 0.000 1.405 5 N HN 1.152 nan 8.380 nan 0.000 0.490 6 G N 0.033 108.836 108.800 0.005 0.000 2.344 6 G HA2 0.281 4.240 3.960 -0.001 0.000 0.282 6 G HA3 0.281 4.240 3.960 -0.001 0.000 0.282 6 G C -1.574 173.328 174.900 0.003 0.000 1.281 6 G CA -0.556 44.544 45.100 -0.001 0.000 0.877 6 G HN 0.464 nan 8.290 nan 0.000 0.494 7 T N -2.359 112.189 114.554 -0.011 0.000 2.886 7 T HA 0.744 5.094 4.350 -0.001 0.000 0.292 7 T C -0.915 173.756 174.700 -0.049 0.000 1.012 7 T CA -0.671 61.420 62.100 -0.014 0.000 0.982 7 T CB 1.803 70.662 68.868 -0.014 0.000 1.018 7 T HN 1.277 nan 8.240 nan 0.000 0.451 8 V N 3.679 123.555 119.914 -0.063 0.000 2.735 8 V HA 0.593 4.712 4.120 -0.001 0.000 0.310 8 V C -0.217 175.744 176.094 -0.222 0.000 1.061 8 V CA -1.055 61.167 62.300 -0.130 0.000 0.913 8 V CB 1.975 33.735 31.823 -0.106 0.000 1.005 8 V HN 1.108 nan 8.190 nan 0.000 0.428 9 M N 3.486 122.902 119.600 -0.307 0.000 2.157 9 M HA 0.680 5.159 4.480 -0.001 0.000 0.354 9 M C -0.177 175.784 176.300 -0.566 0.000 1.170 9 M CA 0.566 55.601 55.300 -0.440 0.000 1.060 9 M CB 1.287 33.651 32.600 -0.393 0.000 1.615 9 M HN 0.851 nan 8.290 nan 0.000 0.460 10 S N 2.503 117.689 115.700 -0.856 0.000 2.903 10 S HA 0.999 5.468 4.470 -0.001 0.000 0.314 10 S C -0.752 173.306 174.600 -0.904 0.000 1.177 10 S CA -0.306 57.430 58.200 -0.774 0.000 0.859 10 S CB 1.800 64.651 63.200 -0.581 0.000 1.265 10 S HN 0.944 nan 8.310 nan 0.000 0.584 11 G N 0.185 108.693 108.800 -0.486 0.000 2.727 11 G HA2 0.724 4.684 3.960 -0.001 0.000 0.289 11 G HA3 0.724 4.684 3.960 -0.001 0.000 0.289 11 G C -0.961 174.063 174.900 0.208 0.000 1.418 11 G CA 0.132 45.119 45.100 -0.190 0.000 0.818 11 G HN 1.547 nan 8.290 nan 0.000 0.486 12 S N -2.306 113.566 115.700 0.286 0.000 2.683 12 S HA 0.346 4.815 4.470 -0.001 0.000 0.269 12 S C 0.115 174.877 174.600 0.270 0.000 1.165 12 S CA -0.506 57.929 58.200 0.391 0.000 0.840 12 S CB 0.988 64.665 63.200 0.795 0.000 1.169 12 S HN 0.530 nan 8.310 nan 0.000 0.490 13 H N -0.136 119.065 119.070 0.217 0.000 2.521 13 H HA 0.104 4.659 4.556 -0.001 0.000 0.286 13 H C 0.620 175.871 175.328 -0.128 0.000 1.034 13 H CA 1.323 57.315 56.048 -0.094 0.000 1.278 13 H CB 0.016 29.525 29.762 -0.422 0.000 1.386 13 H HN 0.578 nan 8.280 nan 0.000 0.567 14 W N 0.677 122.175 121.300 0.331 0.000 3.211 14 W HA 0.357 5.017 4.660 -0.001 0.000 0.292 14 W C 0.558 177.262 176.519 0.308 0.000 1.268 14 W CA 0.807 58.333 57.345 0.302 0.000 1.702 14 W CB 0.948 30.565 29.460 0.261 0.000 1.092 14 W HN 0.190 nan 8.180 nan 0.000 0.643 15 G N -0.024 109.034 108.800 0.429 0.000 2.353 15 G HA2 0.011 3.970 3.960 -0.001 0.000 0.424 15 G HA3 0.011 3.970 3.960 -0.001 0.000 0.424 15 G C -1.466 173.611 174.900 0.295 0.000 1.320 15 G CA -1.229 44.057 45.100 0.309 0.000 0.995 15 G HN -0.221 nan 8.290 nan 0.000 0.580 16 V N 0.770 120.778 119.914 0.156 0.000 2.649 16 V HA 0.733 4.852 4.120 -0.001 0.000 0.292 16 V C 0.367 176.518 176.094 0.095 0.000 1.055 16 V CA 0.733 62.969 62.300 -0.108 0.000 1.023 16 V CB 0.349 31.857 31.823 -0.526 0.000 0.992 16 V HN 1.323 nan 8.190 nan 0.000 0.480 17 F N 1.120 120.991 119.950 -0.133 0.000 2.711 17 F HA 0.756 5.282 4.527 -0.001 0.000 0.313 17 F C -0.581 175.100 175.800 -0.198 0.000 1.141 17 F CA -0.893 57.042 58.000 -0.109 0.000 0.941 17 F CB 1.626 40.524 39.000 -0.170 0.000 1.349 17 F HN 0.247 nan 8.300 nan 0.000 0.464 18 T N 1.682 116.270 114.554 0.057 0.000 2.823 18 T HA 0.767 5.116 4.350 -0.001 0.000 0.279 18 T C -0.507 174.270 174.700 0.127 0.000 0.998 18 T CA -0.387 61.691 62.100 -0.037 0.000 0.994 18 T CB 1.401 70.271 68.868 0.002 0.000 0.960 18 T HN 0.926 nan 8.240 nan 0.000 0.448 19 A N 2.606 125.463 122.820 0.062 0.000 2.305 19 A HA 0.675 4.994 4.320 -0.001 0.000 0.322 19 A C 0.322 177.981 177.584 0.126 0.000 1.187 19 A CA -0.609 51.539 52.037 0.184 0.000 0.825 19 A CB 0.509 19.617 19.000 0.181 0.000 1.164 19 A HN 0.699 nan 8.150 nan 0.000 0.498 20 T N 2.118 116.760 114.554 0.147 0.000 2.744 20 T HA 0.476 4.825 4.350 -0.001 0.000 0.291 20 T C -0.302 174.449 174.700 0.085 0.000 0.957 20 T CA -0.081 62.069 62.100 0.084 0.000 1.002 20 T CB 0.635 69.542 68.868 0.064 0.000 0.919 20 T HN 0.409 nan 8.240 nan 0.000 0.468 21 V N 4.505 124.453 119.914 0.057 0.000 2.417 21 V HA 0.426 4.545 4.120 -0.001 0.000 0.291 21 V C -0.046 176.063 176.094 0.026 0.000 1.024 21 V CA -0.810 61.522 62.300 0.054 0.000 0.861 21 V CB 1.629 33.486 31.823 0.056 0.000 0.985 21 V HN 0.841 nan 8.190 nan 0.000 0.436 22 E N 3.845 124.053 120.200 0.013 0.000 2.199 22 E HA 0.419 4.769 4.350 -0.001 0.000 0.265 22 E C -0.354 176.241 176.600 -0.008 0.000 0.882 22 E CA -0.698 55.701 56.400 -0.003 0.000 0.759 22 E CB 1.013 30.704 29.700 -0.015 0.000 1.148 22 E HN 0.629 nan 8.360 nan 0.000 0.412 23 N N 2.471 121.168 118.700 -0.005 0.000 2.705 23 N HA -0.234 4.505 4.740 -0.001 0.000 0.255 23 N C 0.675 176.184 175.510 -0.003 0.000 1.008 23 N CA 1.342 54.388 53.050 -0.007 0.000 0.742 23 N CB -0.977 37.500 38.487 -0.017 0.000 0.906 23 N HN 1.050 nan 8.380 nan 0.000 0.541 24 G N -0.896 107.911 108.800 0.011 0.000 2.189 24 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.267 24 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.267 24 G C 0.183 175.110 174.900 0.044 0.000 0.975 24 G CA 0.863 45.977 45.100 0.024 0.000 0.644 24 G HN 0.638 nan 8.290 nan 0.000 0.537 25 R N 0.440 120.956 120.500 0.027 0.000 2.514 25 R HA 0.667 5.007 4.340 -0.001 0.000 0.301 25 R C 0.217 176.553 176.300 0.060 0.000 0.962 25 R CA 0.010 56.127 56.100 0.028 0.000 0.882 25 R CB 1.213 31.440 30.300 -0.121 0.000 1.143 25 R HN 0.463 nan 8.270 nan 0.000 0.452 26 A N 2.102 125.025 122.820 0.171 0.000 2.404 26 A HA 0.184 4.504 4.320 -0.001 0.000 0.273 26 A C 1.005 178.623 177.584 0.058 0.000 1.144 26 A CA -0.115 52.024 52.037 0.171 0.000 0.806 26 A CB 0.390 19.556 19.000 0.277 0.000 1.080 26 A HN 0.890 nan 8.150 nan 0.000 0.509 27 T N -0.873 113.700 114.554 0.031 0.000 2.971 27 T HA 0.577 4.926 4.350 -0.001 0.000 0.252 27 T C 0.437 175.115 174.700 -0.037 0.000 1.022 27 T CA 0.692 62.770 62.100 -0.037 0.000 0.980 27 T CB 0.068 68.913 68.868 -0.039 0.000 1.044 27 T HN 1.676 nan 8.240 nan 0.000 0.501 28 A N 0.581 123.421 122.820 0.032 0.000 2.594 28 A HA 0.697 5.016 4.320 -0.001 0.000 0.295 28 A C -2.025 175.717 177.584 0.263 0.000 1.071 28 A CA -0.749 51.314 52.037 0.044 0.000 0.685 28 A CB 1.113 20.138 19.000 0.042 0.000 1.285 28 A HN 0.171 nan 8.150 nan 0.000 0.405 29 F N 1.307 121.194 119.950 -0.104 0.000 2.445 29 F HA 0.576 5.103 4.527 -0.001 0.000 0.348 29 F C 0.327 176.115 175.800 -0.020 0.000 1.125 29 F CA -0.653 57.272 58.000 -0.125 0.000 0.983 29 F CB 2.047 40.747 39.000 -0.499 0.000 1.198 29 F HN 0.453 nan 8.300 nan 0.000 0.436 30 T N 5.542 120.237 114.554 0.235 0.000 2.824 30 T HA 0.444 4.793 4.350 -0.001 0.000 0.280 30 T C -2.584 172.241 174.700 0.207 0.000 0.995 30 T CA -1.672 60.526 62.100 0.164 0.000 1.009 30 T CB 1.828 70.767 68.868 0.119 0.000 0.955 30 T HN 0.100 nan 8.240 nan 0.000 0.452 31 P HA 0.028 nan 4.420 nan 0.000 0.267 31 P C -0.508 176.953 177.300 0.270 0.000 1.200 31 P CA -0.602 62.639 63.100 0.235 0.000 0.772 31 P CB 0.396 32.189 31.700 0.156 0.000 0.855 32 W N 4.197 125.547 121.300 0.084 0.000 2.231 32 W HA -0.014 4.645 4.660 -0.001 0.000 0.341 32 W C 1.574 178.113 176.519 0.034 0.000 1.298 32 W CA -0.235 57.131 57.345 0.035 0.000 1.266 32 W CB -0.058 29.421 29.460 0.032 0.000 1.172 32 W HN 0.598 nan 8.180 nan 0.000 0.568 33 E N 3.104 123.292 120.200 -0.019 0.000 2.268 33 E HA -0.203 4.147 4.350 -0.001 0.000 0.195 33 E C 0.884 177.240 176.600 -0.407 0.000 0.995 33 E CA 1.351 57.652 56.400 -0.164 0.000 0.836 33 E CB -0.053 29.593 29.700 -0.089 0.000 0.763 33 E HN 0.578 nan 8.360 nan 0.000 0.491 34 K N 0.806 120.613 120.400 -0.989 0.000 2.404 34 K HA 0.046 4.365 4.320 -0.001 0.000 0.194 34 K C 0.157 176.329 176.600 -0.713 0.000 1.023 34 K CA -0.067 55.628 56.287 -0.987 0.000 1.094 34 K CB 0.296 31.926 32.500 -1.450 0.000 0.841 34 K HN 0.047 nan 8.250 nan 0.000 0.523 35 D N 2.064 122.228 120.400 -0.393 0.000 2.358 35 D HA 0.004 4.643 4.640 -0.001 0.000 0.258 35 D C -1.524 174.783 176.300 0.012 0.000 1.223 35 D CA -1.768 52.246 54.000 0.024 0.000 0.886 35 D CB 1.351 42.331 40.800 0.299 0.000 1.120 35 D HN 0.004 nan 8.370 nan 0.000 0.482 36 P HA -0.027 nan 4.420 nan 0.000 0.241 36 P C -0.344 177.008 177.300 0.086 0.000 1.191 36 P CA 0.522 63.658 63.100 0.060 0.000 0.771 36 P CB 0.178 31.934 31.700 0.093 0.000 0.929 37 H N -1.559 117.456 119.070 -0.091 0.000 3.291 37 H HA 0.281 4.836 4.556 -0.001 0.000 0.376 37 H C -2.901 172.142 175.328 -0.474 0.000 1.598 37 H CA -1.136 54.706 56.048 -0.343 0.000 1.599 37 H CB 0.309 29.666 29.762 -0.674 0.000 2.255 37 H HN -0.133 nan 8.280 nan 0.000 0.686 38 P HA 0.049 nan 4.420 nan 0.000 0.271 38 P C -0.340 176.852 177.300 -0.181 0.000 1.233 38 P CA -0.190 62.844 63.100 -0.109 0.000 0.789 38 P CB 1.051 32.749 31.700 -0.004 0.000 0.951 39 S N 1.123 116.830 115.700 0.012 0.000 2.480 39 S HA 0.354 4.824 4.470 -0.001 0.000 0.286 39 S C -1.638 172.995 174.600 0.056 0.000 1.180 39 S CA -1.695 56.547 58.200 0.071 0.000 1.075 39 S CB -0.006 63.373 63.200 0.298 0.000 0.996 39 S HN 0.211 nan 8.310 nan 0.000 0.487 40 P HA 0.004 nan 4.420 nan 0.000 0.225 40 P C 0.976 178.279 177.300 0.006 0.000 1.148 40 P CA 1.016 64.129 63.100 0.021 0.000 0.779 40 P CB 0.047 31.777 31.700 0.051 0.000 0.780 41 M N -1.613 118.001 119.600 0.023 0.000 2.630 41 M HA -0.040 4.439 4.480 -0.001 0.000 0.254 41 M C 1.602 177.710 176.300 -0.320 0.000 1.092 41 M CA 0.906 56.133 55.300 -0.122 0.000 1.087 41 M CB -0.638 31.896 32.600 -0.109 0.000 1.453 41 M HN -0.020 nan 8.290 nan 0.000 0.509 42 L N -0.110 120.986 121.223 -0.211 0.000 2.127 42 L HA -0.192 4.148 4.340 -0.001 0.000 0.211 42 L C 2.720 179.402 176.870 -0.314 0.000 1.089 42 L CA 1.100 55.794 54.840 -0.244 0.000 0.757 42 L CB -0.725 41.286 42.059 -0.079 0.000 0.899 42 L HN 0.336 nan 8.230 nan 0.000 0.434 43 A N -0.137 122.533 122.820 -0.250 0.000 2.067 43 A HA -0.049 4.270 4.320 -0.001 0.000 0.219 43 A C 2.315 179.712 177.584 -0.312 0.000 1.158 43 A CA 1.413 53.284 52.037 -0.276 0.000 0.661 43 A CB -0.786 18.106 19.000 -0.180 0.000 0.801 43 A HN 0.448 nan 8.150 nan 0.000 0.452 44 G N -0.826 107.791 108.800 -0.304 0.000 2.494 44 G HA2 0.065 4.024 3.960 -0.001 0.000 0.216 44 G HA3 0.065 4.024 3.960 -0.001 0.000 0.216 44 G C 1.375 176.072 174.900 -0.337 0.000 1.140 44 G CA 0.964 45.901 45.100 -0.272 0.000 0.801 44 G HN 0.277 nan 8.290 nan 0.000 0.536 45 V N 0.999 120.620 119.914 -0.489 0.000 2.343 45 V HA -0.131 3.988 4.120 -0.001 0.000 0.247 45 V C 2.630 178.417 176.094 -0.511 0.000 1.051 45 V CA 1.585 63.601 62.300 -0.473 0.000 1.036 45 V CB -0.506 31.004 31.823 -0.522 0.000 0.654 45 V HN 0.366 nan 8.190 nan 0.000 0.451 46 L N 0.910 121.607 121.223 -0.877 0.000 2.017 46 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 46 L C 2.070 178.668 176.870 -0.455 0.000 1.073 46 L CA 2.511 56.686 54.840 -1.108 0.000 0.745 46 L CB -0.919 40.350 42.059 -1.317 0.000 0.894 46 L HN 0.384 nan 8.230 nan 0.000 0.432 47 D N -1.073 119.140 120.400 -0.311 0.000 2.178 47 D HA -0.194 4.445 4.640 -0.001 0.000 0.201 47 D C 2.311 178.583 176.300 -0.045 0.000 0.980 47 D CA 1.248 55.177 54.000 -0.117 0.000 0.842 47 D CB -0.033 40.692 40.800 -0.124 0.000 0.948 47 D HN 0.585 nan 8.370 nan 0.000 0.472 48 S N -0.527 115.140 115.700 -0.055 0.000 2.442 48 S HA -0.141 4.328 4.470 -0.001 0.000 0.236 48 S C 2.109 176.746 174.600 0.063 0.000 1.007 48 S CA 0.560 58.815 58.200 0.091 0.000 0.965 48 S CB -0.697 62.639 63.200 0.227 0.000 0.773 48 S HN 0.388 nan 8.310 nan 0.000 0.504 49 I N -0.673 119.816 120.570 -0.134 0.000 2.394 49 I HA -0.103 4.066 4.170 -0.001 0.000 0.251 49 I C 1.499 177.356 176.117 -0.433 0.000 1.136 49 I CA 1.277 62.352 61.300 -0.374 0.000 1.425 49 I CB -0.206 37.365 38.000 -0.716 0.000 1.079 49 I HN 0.304 nan 8.210 nan 0.000 0.425 50 Y N -0.377 119.941 120.300 0.030 0.000 2.527 50 Y HA 0.209 4.758 4.550 -0.001 0.000 0.247 50 Y C 1.665 177.617 175.900 0.087 0.000 1.138 50 Y CA -0.617 57.516 58.100 0.054 0.000 1.228 50 Y CB -0.232 38.223 38.460 -0.009 0.000 1.252 50 Y HN -0.016 nan 8.280 nan 0.000 0.531 51 S N 1.471 117.288 115.700 0.195 0.000 2.580 51 S HA 0.016 4.485 4.470 -0.001 0.000 0.261 51 S C -1.594 173.116 174.600 0.184 0.000 1.366 51 S CA -0.789 57.507 58.200 0.159 0.000 0.996 51 S CB 0.713 63.987 63.200 0.124 0.000 0.902 51 S HN -0.004 nan 8.310 nan 0.000 0.566 52 P HA 0.037 nan 4.420 nan 0.000 0.225 52 P C 0.928 178.348 177.300 0.199 0.000 1.148 52 P CA 1.030 64.217 63.100 0.145 0.000 0.779 52 P CB -0.459 31.305 31.700 0.106 0.000 0.780 53 T N -4.144 110.575 114.554 0.275 0.000 3.163 53 T HA 0.205 4.554 4.350 -0.001 0.000 0.252 53 T C 0.700 175.624 174.700 0.374 0.000 1.056 53 T CA -0.494 61.848 62.100 0.403 0.000 0.947 53 T CB -0.299 68.887 68.868 0.531 0.000 1.016 53 T HN -0.126 nan 8.240 nan 0.000 0.554 54 R N 1.951 122.616 120.500 0.275 0.000 2.537 54 R HA 0.319 4.658 4.340 -0.001 0.000 0.280 54 R C -0.378 175.984 176.300 0.103 0.000 1.058 54 R CA -0.563 55.666 56.100 0.214 0.000 1.057 54 R CB -0.324 30.127 30.300 0.252 0.000 0.973 54 R HN 0.396 nan 8.270 nan 0.000 0.438 55 I N 6.049 126.562 120.570 -0.095 0.000 2.337 55 I HA 0.066 4.236 4.170 -0.001 0.000 0.291 55 I C 1.108 177.112 176.117 -0.188 0.000 1.046 55 I CA -0.126 60.993 61.300 -0.302 0.000 1.324 55 I CB 1.333 38.922 38.000 -0.684 0.000 1.409 55 I HN 0.681 nan 8.210 nan 0.000 0.494 56 K N 5.147 125.336 120.400 -0.353 0.000 2.067 56 K HA 0.056 4.376 4.320 -0.001 0.000 0.203 56 K C -0.445 175.759 176.600 -0.660 0.000 1.048 56 K CA 1.125 56.988 56.287 -0.707 0.000 0.954 56 K CB 0.190 31.758 32.500 -1.553 0.000 0.737 56 K HN 0.397 nan 8.250 nan 0.000 0.444 57 Y N -0.204 120.057 120.300 -0.065 0.000 2.605 57 Y HA 0.333 4.882 4.550 -0.001 0.000 0.343 57 Y C -2.576 173.149 175.900 -0.291 0.000 1.036 57 Y CA -3.838 54.175 58.100 -0.145 0.000 1.065 57 Y CB 0.173 38.561 38.460 -0.121 0.000 1.288 57 Y HN -0.114 nan 8.280 nan 0.000 0.481 58 P HA 0.193 nan 4.420 nan 0.000 0.268 58 P C -0.695 176.462 177.300 -0.238 0.000 1.204 58 P CA 0.299 63.080 63.100 -0.532 0.000 0.768 58 P CB 0.459 31.579 31.700 -0.967 0.000 0.842 59 M N 1.727 121.220 119.600 -0.178 0.000 2.593 59 M HA 0.491 4.970 4.480 -0.001 0.000 0.290 59 M C -1.064 175.283 176.300 0.078 0.000 1.244 59 M CA -0.993 54.297 55.300 -0.018 0.000 0.857 59 M CB 2.117 34.703 32.600 -0.023 0.000 1.738 59 M HN -0.059 nan 8.290 nan 0.000 0.461 60 V N 1.140 121.187 119.914 0.222 0.000 2.638 60 V HA 0.455 4.575 4.120 -0.001 0.000 0.306 60 V C -0.025 176.255 176.094 0.309 0.000 1.052 60 V CA -0.890 61.557 62.300 0.245 0.000 0.885 60 V CB 2.253 34.188 31.823 0.187 0.000 0.999 60 V HN 0.879 nan 8.190 nan 0.000 0.424 61 R N 2.895 123.534 120.500 0.231 0.000 2.504 61 R HA 0.033 4.372 4.340 -0.001 0.000 0.291 61 R C 1.687 177.986 176.300 -0.001 0.000 0.974 61 R CA 0.289 56.326 56.100 -0.105 0.000 1.077 61 R CB 0.282 30.526 30.300 -0.093 0.000 0.926 61 R HN 0.763 nan 8.270 nan 0.000 0.407 62 R N 3.354 123.807 120.500 -0.079 0.000 2.096 62 R HA -0.245 4.094 4.340 -0.001 0.000 0.240 62 R C 0.875 177.181 176.300 0.009 0.000 1.139 62 R CA 2.432 58.522 56.100 -0.018 0.000 0.952 62 R CB 0.008 30.281 30.300 -0.044 0.000 0.854 62 R HN 0.726 nan 8.270 nan 0.000 0.436 63 E N -0.255 119.944 120.200 -0.001 0.000 2.153 63 E HA -0.182 4.167 4.350 -0.001 0.000 0.194 63 E C 1.514 178.161 176.600 0.078 0.000 0.988 63 E CA 1.454 57.869 56.400 0.025 0.000 0.811 63 E CB -0.314 29.395 29.700 0.015 0.000 0.746 63 E HN 0.414 nan 8.360 nan 0.000 0.466 64 F N 0.467 120.408 119.950 -0.015 0.000 2.163 64 F HA -0.030 4.496 4.527 -0.001 0.000 0.297 64 F C 1.850 177.660 175.800 0.016 0.000 1.094 64 F CA 0.874 58.883 58.000 0.014 0.000 1.290 64 F CB -0.031 38.990 39.000 0.034 0.000 1.017 64 F HN -0.012 nan 8.300 nan 0.000 0.483 65 L N 0.235 121.521 121.223 0.105 0.000 2.012 65 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 65 L C 2.304 179.137 176.870 -0.062 0.000 1.073 65 L CA 2.067 56.922 54.840 0.025 0.000 0.748 65 L CB -0.501 41.601 42.059 0.072 0.000 0.891 65 L HN 0.251 nan 8.230 nan 0.000 0.431 66 E N -0.378 119.797 120.200 -0.042 0.000 2.028 66 E HA -0.222 4.128 4.350 -0.001 0.000 0.191 66 E C 1.523 178.075 176.600 -0.080 0.000 0.988 66 E CA 1.187 57.557 56.400 -0.050 0.000 0.799 66 E CB 0.109 29.792 29.700 -0.028 0.000 0.755 66 E HN 0.413 nan 8.360 nan 0.000 0.447 67 K N -0.401 119.940 120.400 -0.099 0.000 2.413 67 K HA 0.164 4.483 4.320 -0.001 0.000 0.204 67 K C 0.705 177.201 176.600 -0.173 0.000 1.041 67 K CA 0.234 56.459 56.287 -0.104 0.000 1.082 67 K CB 1.478 33.949 32.500 -0.049 0.000 0.871 67 K HN 0.197 nan 8.250 nan 0.000 0.535 68 G N 1.474 110.053 108.800 -0.369 0.000 2.672 68 G HA2 -0.441 3.518 3.960 -0.001 0.000 0.324 68 G HA3 -0.441 3.518 3.960 -0.001 0.000 0.324 68 G C 1.065 175.822 174.900 -0.239 0.000 1.286 68 G CA 1.177 45.930 45.100 -0.578 0.000 1.004 68 G HN 0.325 nan 8.290 nan 0.000 0.548 69 V N -0.931 118.927 119.914 -0.093 0.000 3.026 69 V HA 0.015 4.135 4.120 -0.001 0.000 0.265 69 V C 1.746 177.864 176.094 0.039 0.000 1.121 69 V CA 2.710 65.035 62.300 0.042 0.000 1.142 69 V CB -0.366 31.500 31.823 0.071 0.000 0.730 69 V HN 0.571 nan 8.190 nan 0.000 0.503 70 N N 1.223 119.925 118.700 0.002 0.000 2.268 70 N HA 0.397 5.136 4.740 -0.001 0.000 0.204 70 N C 0.706 176.226 175.510 0.018 0.000 1.124 70 N CA 0.708 53.765 53.050 0.012 0.000 0.838 70 N CB 0.625 39.110 38.487 -0.003 0.000 0.994 70 N HN 0.690 nan 8.380 nan 0.000 0.489 71 A N 0.711 123.550 122.820 0.031 0.000 2.425 71 A HA 0.038 4.357 4.320 -0.001 0.000 0.242 71 A C 0.234 177.855 177.584 0.062 0.000 1.077 71 A CA -0.176 51.891 52.037 0.051 0.000 0.781 71 A CB 0.193 19.258 19.000 0.109 0.000 1.020 71 A HN 0.105 nan 8.150 nan 0.000 0.494 72 D N 0.554 120.981 120.400 0.046 0.000 2.346 72 D HA 0.122 4.761 4.640 -0.001 0.000 0.260 72 D C 1.032 177.369 176.300 0.061 0.000 1.252 72 D CA 0.212 54.237 54.000 0.042 0.000 0.895 72 D CB 0.304 41.118 40.800 0.023 0.000 1.097 72 D HN 0.470 nan 8.370 nan 0.000 0.489 73 R N 1.727 122.273 120.500 0.076 0.000 2.313 73 R HA -0.017 4.323 4.340 -0.001 0.000 0.199 73 R C 1.809 178.168 176.300 0.099 0.000 0.958 73 R CA 0.523 56.684 56.100 0.101 0.000 1.047 73 R CB 0.128 30.494 30.300 0.111 0.000 0.955 73 R HN 0.428 nan 8.270 nan 0.000 0.481 74 S N -0.195 115.547 115.700 0.070 0.000 2.562 74 S HA -0.069 4.401 4.470 -0.001 0.000 0.221 74 S C 1.697 176.326 174.600 0.048 0.000 0.975 74 S CA 0.953 59.194 58.200 0.070 0.000 0.918 74 S CB 0.017 63.249 63.200 0.053 0.000 0.772 74 S HN 0.301 nan 8.310 nan 0.000 0.531 75 T N -0.956 113.609 114.554 0.019 0.000 3.086 75 T HA 0.307 4.656 4.350 -0.001 0.000 0.250 75 T C 0.614 175.268 174.700 -0.077 0.000 1.074 75 T CA -0.616 61.465 62.100 -0.031 0.000 0.988 75 T CB -0.382 68.454 68.868 -0.054 0.000 0.988 75 T HN 0.236 nan 8.240 nan 0.000 0.530 76 R N 1.131 121.619 120.500 -0.020 0.000 2.537 76 R HA 0.321 4.660 4.340 -0.001 0.000 0.281 76 R C 1.468 177.594 176.300 -0.290 0.000 0.988 76 R CA 1.303 57.365 56.100 -0.063 0.000 1.077 76 R CB -0.134 30.250 30.300 0.140 0.000 0.932 76 R HN 0.608 nan 8.270 nan 0.000 0.409 77 G N 2.397 110.881 108.800 -0.527 0.000 2.176 77 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.232 77 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.232 77 G C 0.535 175.170 174.900 -0.441 0.000 0.986 77 G CA 0.289 44.866 45.100 -0.871 0.000 0.643 77 G HN 0.734 nan 8.290 nan 0.000 0.522 78 N N 0.905 119.416 118.700 -0.315 0.000 2.467 78 N HA 0.353 5.092 4.740 -0.001 0.000 0.184 78 N C 1.752 177.124 175.510 -0.231 0.000 1.106 78 N CA 1.283 54.195 53.050 -0.230 0.000 0.892 78 N CB -0.329 38.055 38.487 -0.173 0.000 0.969 78 N HN 1.725 nan 8.380 nan 0.000 0.454 79 G N 0.103 108.735 108.800 -0.281 0.000 2.157 79 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.248 79 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.248 79 G C -0.471 174.292 174.900 -0.228 0.000 0.979 79 G CA 0.191 45.179 45.100 -0.187 0.000 0.650 79 G HN 0.625 nan 8.290 nan 0.000 0.529 80 D N 0.563 120.736 120.400 -0.377 0.000 2.517 80 D HA 0.516 5.156 4.640 -0.001 0.000 0.220 80 D C 0.209 176.270 176.300 -0.397 0.000 1.158 80 D CA -0.412 53.421 54.000 -0.279 0.000 0.992 80 D CB -0.527 40.151 40.800 -0.204 0.000 1.058 80 D HN 0.121 nan 8.370 nan 0.000 0.516 81 F N 1.486 121.394 119.950 -0.071 0.000 2.440 81 F HA 0.499 5.025 4.527 -0.001 0.000 0.328 81 F C 0.374 176.161 175.800 -0.021 0.000 1.070 81 F CA -0.988 56.994 58.000 -0.030 0.000 1.011 81 F CB 1.638 40.628 39.000 -0.018 0.000 1.226 81 F HN -0.098 nan 8.300 nan 0.000 0.491 82 V N 2.347 122.384 119.914 0.204 0.000 2.444 82 V HA 0.393 4.512 4.120 -0.001 0.000 0.294 82 V C -0.185 175.968 176.094 0.097 0.000 1.022 82 V CA -1.072 61.293 62.300 0.107 0.000 0.850 82 V CB 1.537 33.400 31.823 0.067 0.000 0.992 82 V HN 0.672 nan 8.190 nan 0.000 0.426 83 R N 4.323 124.851 120.500 0.046 0.000 2.491 83 R HA 0.563 4.902 4.340 -0.001 0.000 0.283 83 R C -0.523 175.752 176.300 -0.042 0.000 1.072 83 R CA -0.089 56.009 56.100 -0.002 0.000 1.048 83 R CB 1.146 31.406 30.300 -0.068 0.000 0.983 83 R HN 0.663 nan 8.270 nan 0.000 0.450 84 V N 0.857 120.729 119.914 -0.071 0.000 3.126 84 V HA 0.636 4.755 4.120 -0.001 0.000 0.314 84 V C -0.195 175.826 176.094 -0.121 0.000 1.138 84 V CA -0.694 61.561 62.300 -0.074 0.000 1.034 84 V CB 1.782 33.579 31.823 -0.043 0.000 1.075 84 V HN 0.986 nan 8.190 nan 0.000 0.442 85 S N 0.218 115.876 115.700 -0.070 0.000 2.624 85 S HA 0.288 4.757 4.470 -0.001 0.000 0.263 85 S C 0.388 174.968 174.600 -0.034 0.000 1.287 85 S CA 0.004 58.184 58.200 -0.034 0.000 0.990 85 S CB 0.501 63.722 63.200 0.035 0.000 0.950 85 S HN 0.908 nan 8.310 nan 0.000 0.561 86 W N 0.433 121.743 121.300 0.016 0.000 2.358 86 W HA -0.046 4.613 4.660 -0.001 0.000 0.303 86 W C 2.027 178.549 176.519 0.006 0.000 1.208 86 W CA 1.104 58.453 57.345 0.006 0.000 1.274 86 W CB -0.263 29.198 29.460 0.003 0.000 1.138 86 W HN 0.716 nan 8.180 nan 0.000 0.515 87 D N -0.346 120.204 120.400 0.249 0.000 2.117 87 D HA -0.195 4.444 4.640 -0.001 0.000 0.197 87 D C 1.878 178.246 176.300 0.114 0.000 0.987 87 D CA 1.452 55.545 54.000 0.155 0.000 0.829 87 D CB -0.500 40.364 40.800 0.108 0.000 0.961 87 D HN 0.348 nan 8.370 nan 0.000 0.460 88 Q N 0.472 120.321 119.800 0.082 0.000 2.084 88 Q HA -0.065 4.275 4.340 -0.001 0.000 0.202 88 Q C 2.194 178.230 176.000 0.061 0.000 0.978 88 Q CA 1.546 57.384 55.803 0.057 0.000 0.844 88 Q CB -0.083 28.674 28.738 0.031 0.000 0.898 88 Q HN 0.209 nan 8.270 nan 0.000 0.426 89 A N 0.370 123.214 122.820 0.040 0.000 1.929 89 A HA -0.089 4.231 4.320 -0.001 0.000 0.216 89 A C 2.008 179.650 177.584 0.097 0.000 1.176 89 A CA 0.809 52.862 52.037 0.027 0.000 0.628 89 A CB -0.509 18.427 19.000 -0.106 0.000 0.816 89 A HN 0.285 nan 8.150 nan 0.000 0.444 90 L N -0.479 120.841 121.223 0.162 0.000 2.083 90 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 90 L C 2.003 178.948 176.870 0.124 0.000 1.083 90 L CA 1.339 56.279 54.840 0.166 0.000 0.752 90 L CB -0.603 41.562 42.059 0.178 0.000 0.899 90 L HN 0.275 nan 8.230 nan 0.000 0.433 91 D N -0.027 120.437 120.400 0.106 0.000 2.097 91 D HA -0.177 4.462 4.640 -0.001 0.000 0.195 91 D C 2.041 178.400 176.300 0.098 0.000 0.989 91 D CA 1.050 55.103 54.000 0.090 0.000 0.827 91 D CB -0.117 40.727 40.800 0.073 0.000 0.966 91 D HN 0.109 nan 8.370 nan 0.000 0.456 92 L N 0.270 121.557 121.223 0.106 0.000 2.056 92 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 92 L C 2.145 179.106 176.870 0.152 0.000 1.078 92 L CA 1.155 56.074 54.840 0.131 0.000 0.749 92 L CB -0.254 41.891 42.059 0.143 0.000 0.901 92 L HN -0.116 nan 8.230 nan 0.000 0.433 93 V N -0.054 119.945 119.914 0.142 0.000 2.270 93 V HA -0.279 3.840 4.120 -0.001 0.000 0.245 93 V C 2.786 178.990 176.094 0.183 0.000 1.043 93 V CA 1.622 64.018 62.300 0.160 0.000 1.014 93 V CB -1.348 30.582 31.823 0.178 0.000 0.645 93 V HN 0.586 nan 8.190 nan 0.000 0.447 94 A N 0.125 123.040 122.820 0.159 0.000 1.892 94 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 94 A C 2.425 180.083 177.584 0.124 0.000 1.188 94 A CA 2.454 54.572 52.037 0.136 0.000 0.631 94 A CB -0.904 18.158 19.000 0.104 0.000 0.822 94 A HN 0.601 nan 8.150 nan 0.000 0.447 95 A N -0.827 122.062 122.820 0.115 0.000 1.902 95 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 95 A C 1.987 179.645 177.584 0.124 0.000 1.181 95 A CA 1.690 53.789 52.037 0.103 0.000 0.623 95 A CB -0.414 18.639 19.000 0.089 0.000 0.818 95 A HN 0.476 nan 8.150 nan 0.000 0.443 96 E N -0.144 120.151 120.200 0.158 0.000 2.072 96 E HA -0.107 4.242 4.350 -0.001 0.000 0.191 96 E C 2.236 178.947 176.600 0.185 0.000 0.985 96 E CA 1.286 57.800 56.400 0.189 0.000 0.801 96 E CB -0.494 29.347 29.700 0.235 0.000 0.750 96 E HN 0.388 nan 8.360 nan 0.000 0.452 97 V N 1.441 121.467 119.914 0.187 0.000 2.295 97 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 97 V C 2.440 178.622 176.094 0.147 0.000 1.049 97 V CA 1.767 64.179 62.300 0.186 0.000 1.024 97 V CB -0.406 31.536 31.823 0.198 0.000 0.648 97 V HN 0.119 nan 8.190 nan 0.000 0.447 98 K N 0.549 121.022 120.400 0.121 0.000 2.032 98 K HA -0.189 4.130 4.320 -0.001 0.000 0.209 98 K C 2.293 178.945 176.600 0.086 0.000 1.048 98 K CA 1.712 58.054 56.287 0.092 0.000 0.927 98 K CB -0.457 32.089 32.500 0.077 0.000 0.712 98 K HN 0.345 nan 8.250 nan 0.000 0.441 99 R N -0.206 120.350 120.500 0.095 0.000 2.080 99 R HA -0.119 4.220 4.340 -0.001 0.000 0.236 99 R C 1.977 178.336 176.300 0.098 0.000 1.137 99 R CA 1.972 58.120 56.100 0.079 0.000 0.943 99 R CB -0.436 29.920 30.300 0.094 0.000 0.846 99 R HN 0.080 nan 8.270 nan 0.000 0.431 100 V N 1.686 121.708 119.914 0.180 0.000 2.295 100 V HA -0.211 3.908 4.120 -0.001 0.000 0.246 100 V C 2.310 178.538 176.094 0.224 0.000 1.049 100 V CA 1.925 64.399 62.300 0.289 0.000 1.024 100 V CB -0.546 31.453 31.823 0.293 0.000 0.648 100 V HN 0.392 nan 8.190 nan 0.000 0.447 101 E N 0.034 120.328 120.200 0.155 0.000 2.160 101 E HA -0.198 4.151 4.350 -0.001 0.000 0.195 101 E C 2.235 178.881 176.600 0.076 0.000 0.991 101 E CA 1.203 57.675 56.400 0.120 0.000 0.810 101 E CB -0.120 29.640 29.700 0.100 0.000 0.742 101 E HN 0.693 nan 8.360 nan 0.000 0.466 102 E N 0.017 120.243 120.200 0.044 0.000 2.060 102 E HA -0.034 4.316 4.350 -0.001 0.000 0.189 102 E C 2.176 178.740 176.600 -0.059 0.000 0.974 102 E CA 0.844 57.245 56.400 0.001 0.000 0.808 102 E CB -0.251 29.446 29.700 -0.004 0.000 0.768 102 E HN 0.173 nan 8.360 nan 0.000 0.453 103 T N 0.718 115.185 114.554 -0.144 0.000 2.674 103 T HA -0.135 4.214 4.350 -0.001 0.000 0.265 103 T C 1.380 175.842 174.700 -0.397 0.000 1.039 103 T CA 1.377 63.245 62.100 -0.386 0.000 1.150 103 T CB -0.264 68.146 68.868 -0.763 0.000 0.864 103 T HN 0.173 nan 8.240 nan 0.000 0.427 104 Y N 0.681 121.007 120.300 0.043 0.000 2.444 104 Y HA 0.477 5.026 4.550 -0.001 0.000 0.249 104 Y C 1.537 177.461 175.900 0.041 0.000 1.134 104 Y CA -0.280 57.845 58.100 0.041 0.000 1.261 104 Y CB -0.003 38.486 38.460 0.048 0.000 1.143 104 Y HN 0.417 nan 8.280 nan 0.000 0.523 105 G N 1.201 110.098 108.800 0.162 0.000 2.796 105 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.571 105 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.571 105 G C -2.013 172.959 174.900 0.121 0.000 1.370 105 G CA -0.469 44.699 45.100 0.113 0.000 0.856 105 G HN 0.020 nan 8.290 nan 0.000 0.538 106 P HA 0.017 nan 4.420 nan 0.000 0.223 106 P C 1.176 178.517 177.300 0.069 0.000 1.151 106 P CA 1.618 64.756 63.100 0.064 0.000 0.787 106 P CB -0.000 31.705 31.700 0.008 0.000 0.788 107 E N -0.200 120.043 120.200 0.073 0.000 2.347 107 E HA -0.002 4.347 4.350 -0.001 0.000 0.196 107 E C 2.120 178.771 176.600 0.085 0.000 1.008 107 E CA 1.096 57.542 56.400 0.077 0.000 0.852 107 E CB -1.169 28.574 29.700 0.072 0.000 0.783 107 E HN 0.284 nan 8.360 nan 0.000 0.505 108 G N 0.185 109.047 108.800 0.103 0.000 2.985 108 G HA2 0.078 4.037 3.960 -0.001 0.000 0.209 108 G HA3 0.078 4.037 3.960 -0.001 0.000 0.209 108 G C 0.059 175.011 174.900 0.087 0.000 1.165 108 G CA -0.167 44.965 45.100 0.054 0.000 0.776 108 G HN 0.066 nan 8.290 nan 0.000 0.541 109 V N 1.186 121.183 119.914 0.139 0.000 2.350 109 V HA 0.385 4.504 4.120 -0.001 0.000 0.285 109 V C -1.020 175.197 176.094 0.206 0.000 1.014 109 V CA -1.161 61.242 62.300 0.171 0.000 0.831 109 V CB 1.285 33.213 31.823 0.175 0.000 1.000 109 V HN 0.185 nan 8.190 nan 0.000 0.433 110 F N 4.060 124.047 119.950 0.062 0.000 2.421 110 F HA 0.645 5.171 4.527 -0.001 0.000 0.358 110 F C 1.032 176.841 175.800 0.014 0.000 1.115 110 F CA -0.369 57.653 58.000 0.036 0.000 1.160 110 F CB 1.219 40.213 39.000 -0.009 0.000 1.123 110 F HN 0.515 nan 8.300 nan 0.000 0.508 111 G N 3.539 111.941 108.800 -0.663 0.000 3.863 111 G HA2 0.175 4.135 3.960 -0.001 0.000 0.290 111 G HA3 0.175 4.135 3.960 -0.001 0.000 0.290 111 G C 1.221 175.591 174.900 -0.883 0.000 1.018 111 G CA 0.220 44.912 45.100 -0.681 0.000 0.824 111 G HN 0.945 nan 8.290 nan 0.000 0.507 112 G N 0.394 108.354 108.800 -1.401 0.000 2.422 112 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.218 112 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.218 112 G C 1.089 175.623 174.900 -0.610 0.000 1.140 112 G CA 1.140 45.760 45.100 -0.800 0.000 0.775 112 G HN 0.931 nan 8.290 nan 0.000 0.545 113 S N -1.028 114.058 115.700 -1.022 0.000 3.378 113 S HA -0.275 4.195 4.470 -0.001 0.000 0.365 113 S C 0.241 174.642 174.600 -0.332 0.000 0.951 113 S CA 0.118 57.595 58.200 -1.206 0.000 1.274 113 S CB -1.649 61.141 63.200 -0.683 0.000 0.915 113 S HN 0.562 nan 8.310 nan 0.000 0.513 114 Y N 1.104 121.453 120.300 0.081 0.000 2.610 114 Y HA 0.436 4.985 4.550 -0.001 0.000 0.332 114 Y C 0.858 177.112 175.900 0.591 0.000 1.201 114 Y CA 1.507 59.843 58.100 0.393 0.000 1.465 114 Y CB 0.376 39.142 38.460 0.509 0.000 1.283 114 Y HN 0.642 nan 8.280 nan 0.000 0.563 115 G N 4.043 112.696 108.800 -0.245 0.000 2.404 115 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.298 115 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.298 115 G C -1.087 173.887 174.900 0.122 0.000 1.577 115 G CA -0.967 44.190 45.100 0.094 0.000 0.847 115 G HN 0.709 nan 8.290 nan 0.000 0.598 116 W N 2.064 123.457 121.300 0.156 0.000 2.699 116 W HA 0.098 4.758 4.660 -0.001 0.000 0.249 116 W C 2.262 178.911 176.519 0.218 0.000 1.280 116 W CA 1.042 58.550 57.345 0.271 0.000 1.345 116 W CB 0.133 29.766 29.460 0.288 0.000 1.128 116 W HN 1.083 nan 8.180 nan 0.000 0.642 117 K N -0.626 119.965 120.400 0.319 0.000 2.247 117 K HA -0.342 3.977 4.320 -0.001 0.000 0.110 117 K C 0.071 176.809 176.600 0.231 0.000 1.338 117 K CA 1.529 57.944 56.287 0.214 0.000 0.620 117 K CB -1.782 30.763 32.500 0.076 0.000 0.492 117 K HN -0.064 nan 8.250 nan 0.000 1.013 118 S N 1.351 117.048 115.700 -0.005 0.000 2.595 118 S HA 0.584 5.054 4.470 -0.001 0.000 0.281 118 S C -2.772 171.555 174.600 -0.455 0.000 1.117 118 S CA -1.074 56.972 58.200 -0.257 0.000 0.873 118 S CB 2.248 65.391 63.200 -0.095 0.000 1.108 118 S HN 0.530 nan 8.310 nan 0.000 0.477 119 P HA 0.538 nan 4.420 nan 0.000 0.273 119 P C -0.309 176.834 177.300 -0.261 0.000 1.250 119 P CA 0.032 62.844 63.100 -0.480 0.000 0.793 119 P CB 0.297 31.752 31.700 -0.408 0.000 1.011 120 G N 0.228 108.907 108.800 -0.201 0.000 2.350 120 G HA2 0.004 3.964 3.960 -0.001 0.000 0.274 120 G HA3 0.004 3.964 3.960 -0.001 0.000 0.274 120 G C 0.175 175.006 174.900 -0.115 0.000 1.621 120 G CA -0.688 44.357 45.100 -0.091 0.000 0.935 120 G HN 0.248 nan 8.290 nan 0.000 0.694 121 R N 0.940 121.379 120.500 -0.101 0.000 2.236 121 R HA 0.087 4.426 4.340 -0.001 0.000 0.208 121 R C 2.286 178.427 176.300 -0.265 0.000 1.036 121 R CA 1.117 57.068 56.100 -0.249 0.000 1.001 121 R CB -0.287 29.814 30.300 -0.331 0.000 0.896 121 R HN 0.622 nan 8.270 nan 0.000 0.464 122 L N -0.548 120.627 121.223 -0.079 0.000 2.347 122 L HA 0.139 4.479 4.340 -0.001 0.000 0.196 122 L C 0.888 177.574 176.870 -0.306 0.000 1.072 122 L CA 1.191 55.932 54.840 -0.165 0.000 0.817 122 L CB -0.194 41.780 42.059 -0.141 0.000 1.029 122 L HN 0.048 nan 8.230 nan 0.000 0.478 123 H N 1.737 120.788 119.070 -0.032 0.000 2.983 123 H HA 0.192 4.747 4.556 -0.001 0.000 0.222 123 H C -0.244 175.075 175.328 -0.016 0.000 1.828 123 H CA -0.088 55.960 56.048 -0.000 0.000 1.309 123 H CB -0.868 28.891 29.762 -0.005 0.000 1.644 123 H HN 0.284 nan 8.280 nan 0.000 0.561 124 N N 1.936 120.641 118.700 0.008 0.000 2.868 124 N HA -0.022 4.717 4.740 -0.001 0.000 0.252 124 N C 1.431 176.955 175.510 0.025 0.000 1.130 124 N CA -0.285 52.743 53.050 -0.036 0.000 1.026 124 N CB -0.114 38.301 38.487 -0.120 0.000 1.335 124 N HN 0.446 nan 8.380 nan 0.000 0.516 125 C N 0.824 120.182 119.300 0.097 0.000 2.413 125 C HA -0.133 4.326 4.460 -0.001 0.000 0.277 125 C C 2.472 177.511 174.990 0.081 0.000 1.265 125 C CA 1.423 60.552 59.018 0.185 0.000 1.752 125 C CB -1.552 26.326 27.740 0.231 0.000 1.998 125 C HN 0.669 nan 8.230 nan 0.000 0.489 126 T N -1.486 113.066 114.554 -0.004 0.000 2.904 126 T HA -0.105 4.245 4.350 -0.001 0.000 0.267 126 T C 1.583 176.168 174.700 -0.192 0.000 1.059 126 T CA 2.149 64.185 62.100 -0.106 0.000 1.137 126 T CB -1.122 67.695 68.868 -0.085 0.000 0.879 126 T HN 0.589 nan 8.240 nan 0.000 0.467 127 T N 2.294 116.757 114.554 -0.151 0.000 2.857 127 T HA 0.193 4.542 4.350 -0.001 0.000 0.266 127 T C 1.857 176.407 174.700 -0.251 0.000 1.048 127 T CA 0.883 62.866 62.100 -0.195 0.000 1.139 127 T CB -0.435 68.332 68.868 -0.168 0.000 0.874 127 T HN 0.306 nan 8.240 nan 0.000 0.455 128 L N 0.586 121.693 121.223 -0.193 0.000 2.056 128 L HA -0.019 4.321 4.340 -0.001 0.000 0.207 128 L C 2.393 178.890 176.870 -0.621 0.000 1.078 128 L CA 0.695 55.416 54.840 -0.199 0.000 0.749 128 L CB -0.671 41.486 42.059 0.163 0.000 0.901 128 L HN 0.200 nan 8.230 nan 0.000 0.433 129 L N 0.028 120.737 121.223 -0.857 0.000 2.042 129 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 129 L C 2.712 179.062 176.870 -0.867 0.000 1.076 129 L CA 1.793 55.874 54.840 -1.266 0.000 0.749 129 L CB -0.436 41.155 42.059 -0.781 0.000 0.893 129 L HN 0.102 nan 8.230 nan 0.000 0.432 130 R N -1.051 119.049 120.500 -0.667 0.000 2.115 130 R HA -0.092 4.247 4.340 -0.001 0.000 0.226 130 R C 2.433 178.496 176.300 -0.394 0.000 1.100 130 R CA 1.085 56.769 56.100 -0.693 0.000 0.980 130 R CB -0.314 29.636 30.300 -0.584 0.000 0.875 130 R HN 0.390 nan 8.270 nan 0.000 0.445 131 R N 0.597 120.910 120.500 -0.311 0.000 2.075 131 R HA -0.086 4.254 4.340 -0.001 0.000 0.232 131 R C 2.322 178.585 176.300 -0.061 0.000 1.126 131 R CA 1.247 57.239 56.100 -0.180 0.000 0.963 131 R CB -0.073 30.065 30.300 -0.270 0.000 0.858 131 R HN 0.115 nan 8.270 nan 0.000 0.435 132 M N 0.667 120.198 119.600 -0.115 0.000 2.099 132 M HA -0.142 4.337 4.480 -0.001 0.000 0.262 132 M C 1.906 178.140 176.300 -0.110 0.000 1.067 132 M CA 1.663 56.910 55.300 -0.089 0.000 1.124 132 M CB -0.402 31.983 32.600 -0.359 0.000 1.353 132 M HN 0.265 nan 8.290 nan 0.000 0.410 133 L N -0.446 120.644 121.223 -0.222 0.000 2.131 133 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 133 L C 2.216 179.134 176.870 0.080 0.000 1.092 133 L CA 1.347 56.127 54.840 -0.101 0.000 0.759 133 L CB -0.864 41.040 42.059 -0.258 0.000 0.903 133 L HN 0.319 nan 8.230 nan 0.000 0.435 134 T N 0.199 114.805 114.554 0.086 0.000 2.821 134 T HA -0.109 4.240 4.350 -0.001 0.000 0.267 134 T C 1.876 176.621 174.700 0.075 0.000 1.046 134 T CA 1.076 63.260 62.100 0.139 0.000 1.139 134 T CB -0.128 68.807 68.868 0.111 0.000 0.871 134 T HN 0.226 nan 8.240 nan 0.000 0.454 135 L N 0.549 121.807 121.223 0.059 0.000 2.291 135 L HA 0.144 4.483 4.340 -0.001 0.000 0.214 135 L C 2.667 179.571 176.870 0.056 0.000 1.120 135 L CA 0.586 55.463 54.840 0.061 0.000 0.799 135 L CB -0.434 41.675 42.059 0.084 0.000 0.925 135 L HN 0.185 nan 8.230 nan 0.000 0.446 136 A N -0.502 122.352 122.820 0.057 0.000 2.218 136 A HA 0.379 4.699 4.320 -0.001 0.000 0.209 136 A C 1.730 179.354 177.584 0.067 0.000 1.168 136 A CA 0.844 52.918 52.037 0.062 0.000 0.804 136 A CB -0.089 18.950 19.000 0.065 0.000 0.834 136 A HN 0.474 nan 8.150 nan 0.000 0.482 137 G N -3.162 105.678 108.800 0.066 0.000 2.260 137 G HA2 0.414 4.373 3.960 -0.001 0.000 0.179 137 G HA3 0.414 4.373 3.960 -0.001 0.000 0.179 137 G C 1.002 175.932 174.900 0.049 0.000 1.002 137 G CA 0.315 45.447 45.100 0.054 0.000 0.677 137 G HN 2.286 nan 8.290 nan 0.000 0.486 138 G N -1.081 107.774 108.800 0.091 0.000 2.423 138 G HA2 0.616 4.575 3.960 -0.001 0.000 0.684 138 G HA3 0.616 4.575 3.960 -0.001 0.000 0.684 138 G C -0.680 174.298 174.900 0.130 0.000 1.309 138 G CA 0.062 45.181 45.100 0.031 0.000 0.950 138 G HN 2.060 nan 8.290 nan 0.000 0.587 139 Y N -3.575 116.704 120.300 -0.035 0.000 2.702 139 Y HA 0.688 5.237 4.550 -0.001 0.000 0.336 139 Y C -0.443 175.430 175.900 -0.045 0.000 1.203 139 Y CA -1.483 56.588 58.100 -0.048 0.000 1.072 139 Y CB 0.622 39.009 38.460 -0.121 0.000 1.327 139 Y HN 0.867 nan 8.280 nan 0.000 0.456 140 V N 2.750 122.719 119.914 0.093 0.000 2.546 140 V HA 0.341 4.460 4.120 -0.001 0.000 0.284 140 V C -0.279 175.855 176.094 0.067 0.000 1.050 140 V CA -0.287 62.066 62.300 0.089 0.000 0.981 140 V CB 1.059 33.039 31.823 0.262 0.000 0.990 140 V HN 0.787 nan 8.190 nan 0.000 0.474 141 N N 2.134 120.862 118.700 0.047 0.000 2.471 141 N HA 0.650 5.390 4.740 -0.001 0.000 0.288 141 N C -0.113 175.446 175.510 0.081 0.000 1.220 141 N CA -0.079 52.978 53.050 0.012 0.000 0.893 141 N CB 2.112 40.651 38.487 0.087 0.000 1.256 141 N HN 0.768 nan 8.380 nan 0.000 0.534 142 G N -1.028 107.804 108.800 0.054 0.000 2.410 142 G HA2 0.712 4.671 3.960 -0.001 0.000 0.330 142 G HA3 0.712 4.671 3.960 -0.001 0.000 0.330 142 G C -1.373 173.558 174.900 0.052 0.000 1.142 142 G CA -0.439 44.742 45.100 0.134 0.000 0.902 142 G HN 0.601 nan 8.290 nan 0.000 0.491 143 A N 0.182 122.997 122.820 -0.008 0.000 2.371 143 A HA 0.984 5.303 4.320 -0.001 0.000 0.311 143 A C 0.580 178.128 177.584 -0.060 0.000 1.068 143 A CA 0.443 52.457 52.037 -0.039 0.000 0.744 143 A CB 1.163 20.106 19.000 -0.096 0.000 1.239 143 A HN 2.639 nan 8.150 nan 0.000 0.435 144 G N 1.634 110.431 108.800 -0.004 0.000 2.568 144 G HA2 0.341 4.300 3.960 -0.001 0.000 0.222 144 G HA3 0.341 4.300 3.960 -0.001 0.000 0.222 144 G C -0.623 174.295 174.900 0.029 0.000 1.321 144 G CA 0.804 45.902 45.100 -0.003 0.000 0.893 144 G HN 2.335 nan 8.290 nan 0.000 0.569 145 D N -3.724 116.665 120.400 -0.019 0.000 2.692 145 D HA 0.492 5.131 4.640 -0.001 0.000 0.290 145 D C -0.044 176.185 176.300 -0.119 0.000 1.281 145 D CA -0.679 53.355 54.000 0.056 0.000 0.804 145 D CB 0.083 41.050 40.800 0.278 0.000 1.331 145 D HN 0.406 nan 8.370 nan 0.000 0.432 146 Y N -0.293 119.928 120.300 -0.133 0.000 2.511 146 Y HA 0.197 4.746 4.550 -0.001 0.000 0.279 146 Y C 2.030 177.980 175.900 0.084 0.000 1.157 146 Y CA 0.594 58.639 58.100 -0.092 0.000 1.300 146 Y CB 0.527 38.863 38.460 -0.206 0.000 1.052 146 Y HN 0.337 nan 8.280 nan 0.000 0.529 147 S N -1.196 114.653 115.700 0.248 0.000 2.412 147 S HA -0.059 4.410 4.470 -0.001 0.000 0.223 147 S C 1.466 176.045 174.600 -0.034 0.000 1.048 147 S CA 1.455 59.797 58.200 0.236 0.000 0.954 147 S CB -0.159 63.166 63.200 0.208 0.000 0.840 147 S HN 0.466 nan 8.310 nan 0.000 0.503 148 T N -0.985 113.435 114.554 -0.223 0.000 3.487 148 T HA 0.415 4.764 4.350 -0.001 0.000 0.287 148 T C 1.366 175.922 174.700 -0.239 0.000 1.004 148 T CA 0.201 62.041 62.100 -0.433 0.000 0.977 148 T CB 0.483 68.800 68.868 -0.918 0.000 1.180 148 T HN 0.197 nan 8.240 nan 0.000 0.490 149 G N 1.739 110.465 108.800 -0.123 0.000 2.505 149 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.220 149 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.220 149 G C 1.522 176.392 174.900 -0.049 0.000 1.145 149 G CA 0.956 46.002 45.100 -0.089 0.000 0.761 149 G HN 0.772 nan 8.290 nan 0.000 0.571 150 A N 0.854 123.650 122.820 -0.041 0.000 1.850 150 A HA 0.512 4.832 4.320 -0.001 0.000 0.212 150 A C 2.826 180.376 177.584 -0.057 0.000 1.208 150 A CA 1.854 53.884 52.037 -0.011 0.000 0.609 150 A CB -0.897 18.126 19.000 0.040 0.000 0.860 150 A HN 0.839 nan 8.150 nan 0.000 0.448 151 A N 0.608 123.361 122.820 -0.112 0.000 1.940 151 A HA -0.247 4.073 4.320 -0.001 0.000 0.219 151 A C 2.176 179.621 177.584 -0.231 0.000 1.176 151 A CA 1.876 53.804 52.037 -0.182 0.000 0.631 151 A CB -0.775 18.006 19.000 -0.364 0.000 0.814 151 A HN 0.786 nan 8.150 nan 0.000 0.446 152 Q N -0.800 118.840 119.800 -0.266 0.000 2.369 152 Q HA -0.006 4.334 4.340 -0.001 0.000 0.206 152 Q C 1.407 177.314 176.000 -0.155 0.000 0.963 152 Q CA 1.563 57.215 55.803 -0.253 0.000 0.894 152 Q CB -0.283 28.299 28.738 -0.260 0.000 0.965 152 Q HN 0.368 nan 8.270 nan 0.000 0.475 153 V N 0.239 120.087 119.914 -0.109 0.000 2.685 153 V HA -0.092 4.027 4.120 -0.001 0.000 0.244 153 V C 1.935 177.979 176.094 -0.084 0.000 1.054 153 V CA 0.659 62.907 62.300 -0.086 0.000 1.076 153 V CB -0.013 31.785 31.823 -0.042 0.000 0.725 153 V HN 0.280 nan 8.190 nan 0.000 0.467 154 I N -0.389 120.121 120.570 -0.100 0.000 2.500 154 I HA -0.108 4.061 4.170 -0.001 0.000 0.252 154 I C 2.240 178.219 176.117 -0.230 0.000 1.142 154 I CA 1.523 62.724 61.300 -0.166 0.000 1.451 154 I CB -0.184 37.691 38.000 -0.208 0.000 1.093 154 I HN 0.114 nan 8.210 nan 0.000 0.430 155 M N 0.690 120.180 119.600 -0.184 0.000 2.080 155 M HA -0.102 4.377 4.480 -0.001 0.000 0.260 155 M C -0.188 176.013 176.300 -0.164 0.000 1.068 155 M CA 1.943 57.149 55.300 -0.157 0.000 1.109 155 M CB -2.548 29.988 32.600 -0.106 0.000 1.342 155 M HN 0.109 nan 8.290 nan 0.000 0.405 156 P HA -0.149 nan 4.420 nan 0.000 0.218 156 P C 1.363 178.477 177.300 -0.311 0.000 1.148 156 P CA 1.349 64.299 63.100 -0.249 0.000 0.822 156 P CB -0.380 31.140 31.700 -0.301 0.000 0.784 157 H N -1.574 117.358 119.070 -0.230 0.000 2.462 157 H HA 0.052 4.607 4.556 -0.001 0.000 0.292 157 H C 1.730 176.900 175.328 -0.264 0.000 1.049 157 H CA 1.031 56.922 56.048 -0.261 0.000 1.334 157 H CB -0.214 29.323 29.762 -0.375 0.000 1.404 157 H HN 0.049 nan 8.280 nan 0.000 0.544 158 V N 0.329 120.128 119.914 -0.192 0.000 2.581 158 V HA -0.064 4.055 4.120 -0.001 0.000 0.240 158 V C 2.167 178.225 176.094 -0.059 0.000 1.054 158 V CA 1.133 63.331 62.300 -0.171 0.000 1.076 158 V CB 0.246 31.877 31.823 -0.319 0.000 0.748 158 V HN 0.319 nan 8.190 nan 0.000 0.474 159 V N -2.457 117.429 119.914 -0.048 0.000 3.477 159 V HA 0.685 4.805 4.120 -0.001 0.000 0.297 159 V C 1.351 177.442 176.094 -0.005 0.000 1.433 159 V CA 0.554 62.856 62.300 0.002 0.000 1.052 159 V CB -0.184 31.712 31.823 0.121 0.000 0.895 159 V HN 0.671 nan 8.190 nan 0.000 0.438 160 G N 1.069 109.839 108.800 -0.050 0.000 2.184 160 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.264 160 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.264 160 G C 0.228 175.091 174.900 -0.062 0.000 0.975 160 G CA 0.809 45.871 45.100 -0.063 0.000 0.642 160 G HN 1.110 nan 8.290 nan 0.000 0.536 161 T N -2.099 112.427 114.554 -0.046 0.000 2.838 161 T HA 0.627 4.976 4.350 -0.001 0.000 0.292 161 T C 0.974 175.636 174.700 -0.063 0.000 1.113 161 T CA -0.174 61.897 62.100 -0.048 0.000 1.008 161 T CB 1.626 70.478 68.868 -0.027 0.000 1.259 161 T HN 0.457 nan 8.240 nan 0.000 0.520 162 L N 0.953 122.134 121.223 -0.070 0.000 2.083 162 L HA 0.007 4.346 4.340 -0.001 0.000 0.209 162 L C 2.034 178.837 176.870 -0.111 0.000 1.083 162 L CA 2.648 57.424 54.840 -0.106 0.000 0.752 162 L CB -1.034 40.975 42.059 -0.083 0.000 0.899 162 L HN 1.082 nan 8.230 nan 0.000 0.433 163 E N -1.788 118.388 120.200 -0.040 0.000 5.229 163 E HA -0.328 4.022 4.350 -0.001 0.000 0.167 163 E C 1.605 178.201 176.600 -0.007 0.000 1.240 163 E CA 2.169 58.582 56.400 0.021 0.000 2.124 163 E CB -1.708 28.059 29.700 0.111 0.000 1.848 163 E HN 0.397 nan 8.360 nan 0.000 0.388 164 V N -1.659 118.146 119.914 -0.181 0.000 2.515 164 V HA -0.056 4.064 4.120 -0.001 0.000 0.250 164 V C 1.468 177.507 176.094 -0.091 0.000 1.058 164 V CA 2.092 64.229 62.300 -0.272 0.000 1.064 164 V CB -0.670 30.646 31.823 -0.845 0.000 0.675 164 V HN 0.338 nan 8.190 nan 0.000 0.461 165 Y N 1.154 121.526 120.300 0.119 0.000 2.722 165 Y HA 0.618 5.168 4.550 -0.001 0.000 0.314 165 Y C 0.375 176.462 175.900 0.311 0.000 1.008 165 Y CA -1.622 56.632 58.100 0.256 0.000 1.294 165 Y CB -0.367 38.144 38.460 0.084 0.000 1.231 165 Y HN 0.454 nan 8.280 nan 0.000 0.558 166 E N -0.116 120.286 120.200 0.336 0.000 2.263 166 E HA 0.355 4.704 4.350 -0.001 0.000 0.264 166 E C -0.847 175.785 176.600 0.055 0.000 0.923 166 E CA -1.526 55.006 56.400 0.219 0.000 0.802 166 E CB 1.570 31.312 29.700 0.069 0.000 1.228 166 E HN -0.052 nan 8.360 nan 0.000 0.417 167 Q N 1.946 121.732 119.800 -0.023 0.000 2.361 167 Q HA -0.038 4.301 4.340 -0.001 0.000 0.276 167 Q C -0.778 175.121 176.000 -0.169 0.000 1.022 167 Q CA 0.613 56.261 55.803 -0.257 0.000 0.898 167 Q CB 0.534 29.106 28.738 -0.277 0.000 1.246 167 Q HN 0.263 nan 8.270 nan 0.000 0.410 168 Q N 1.723 121.338 119.800 -0.309 0.000 2.204 168 Q HA 0.338 4.678 4.340 -0.001 0.000 0.254 168 Q C -0.433 175.554 176.000 -0.022 0.000 0.981 168 Q CA -0.626 54.985 55.803 -0.320 0.000 0.897 168 Q CB 0.720 28.869 28.738 -0.981 0.000 1.273 168 Q HN 0.664 nan 8.270 nan 0.000 0.464 169 T N 1.777 116.298 114.554 -0.055 0.000 2.822 169 T HA 0.149 4.498 4.350 -0.001 0.000 0.288 169 T C 0.206 174.927 174.700 0.035 0.000 0.991 169 T CA 0.078 62.155 62.100 -0.038 0.000 1.176 169 T CB -0.026 68.795 68.868 -0.078 0.000 0.951 169 T HN 0.590 nan 8.240 nan 0.000 0.526 170 A N 3.771 126.655 122.820 0.106 0.000 2.587 170 A HA 0.026 4.346 4.320 -0.001 0.000 0.235 170 A C 1.074 178.735 177.584 0.128 0.000 1.044 170 A CA -0.023 52.091 52.037 0.128 0.000 0.754 170 A CB -0.049 19.062 19.000 0.185 0.000 0.968 170 A HN 1.106 nan 8.150 nan 0.000 0.509 171 W N 2.144 123.552 121.300 0.179 0.000 2.317 171 W HA -0.157 4.502 4.660 -0.001 0.000 0.318 171 W C -0.629 175.948 176.519 0.096 0.000 1.227 171 W CA 2.111 59.538 57.345 0.138 0.000 1.269 171 W CB -1.215 28.326 29.460 0.136 0.000 1.155 171 W HN 0.609 nan 8.180 nan 0.000 0.484 172 P HA -0.191 nan 4.420 nan 0.000 0.217 172 P C 1.519 178.909 177.300 0.149 0.000 1.148 172 P CA 1.728 64.952 63.100 0.206 0.000 0.828 172 P CB -0.298 31.504 31.700 0.169 0.000 0.783 173 V N -0.391 119.598 119.914 0.125 0.000 2.343 173 V HA -0.223 3.896 4.120 -0.001 0.000 0.247 173 V C 2.508 178.636 176.094 0.057 0.000 1.051 173 V CA 1.554 63.895 62.300 0.069 0.000 1.036 173 V CB -1.271 30.571 31.823 0.032 0.000 0.654 173 V HN 0.064 nan 8.190 nan 0.000 0.451 174 L N 0.343 121.608 121.223 0.069 0.000 2.017 174 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 174 L C 2.832 179.752 176.870 0.084 0.000 1.073 174 L CA 1.752 56.620 54.840 0.047 0.000 0.745 174 L CB -1.081 40.994 42.059 0.026 0.000 0.894 174 L HN 0.361 nan 8.230 nan 0.000 0.432 175 A N -0.135 122.771 122.820 0.143 0.000 1.908 175 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 175 A C 2.196 179.830 177.584 0.083 0.000 1.181 175 A CA 1.681 53.793 52.037 0.126 0.000 0.627 175 A CB -0.351 18.735 19.000 0.142 0.000 0.818 175 A HN 0.386 nan 8.150 nan 0.000 0.445 176 E N -0.095 120.149 120.200 0.073 0.000 2.158 176 E HA -0.050 4.299 4.350 -0.001 0.000 0.191 176 E C 1.194 177.814 176.600 0.034 0.000 0.982 176 E CA 0.890 57.322 56.400 0.052 0.000 0.823 176 E CB -0.235 29.494 29.700 0.049 0.000 0.766 176 E HN 0.696 nan 8.360 nan 0.000 0.468 177 N N -0.234 118.481 118.700 0.025 0.000 2.317 177 N HA 0.021 4.761 4.740 -0.001 0.000 0.199 177 N C -0.013 175.494 175.510 -0.005 0.000 1.145 177 N CA 0.194 53.248 53.050 0.007 0.000 0.882 177 N CB 0.809 39.294 38.487 -0.004 0.000 1.113 177 N HN -0.047 nan 8.380 nan 0.000 0.486 178 T N 1.328 115.876 114.554 -0.009 0.000 2.869 178 T HA 0.177 4.526 4.350 -0.001 0.000 0.295 178 T C 1.088 175.776 174.700 -0.020 0.000 0.987 178 T CA 0.137 62.217 62.100 -0.032 0.000 1.109 178 T CB 1.757 70.588 68.868 -0.061 0.000 0.932 178 T HN 0.115 nan 8.240 nan 0.000 0.518 179 E N 1.244 121.430 120.200 -0.022 0.000 2.290 179 E HA 0.142 4.491 4.350 -0.001 0.000 0.197 179 E C -0.094 176.495 176.600 -0.018 0.000 0.948 179 E CA 0.218 56.612 56.400 -0.009 0.000 0.895 179 E CB 0.631 30.334 29.700 0.003 0.000 0.865 179 E HN 0.271 nan 8.360 nan 0.000 0.486 180 V N 2.186 122.079 119.914 -0.036 0.000 2.443 180 V HA 0.305 4.424 4.120 -0.001 0.000 0.293 180 V C -0.882 175.127 176.094 -0.141 0.000 1.021 180 V CA -0.629 61.641 62.300 -0.049 0.000 0.848 180 V CB 1.527 33.367 31.823 0.029 0.000 0.998 180 V HN 0.120 nan 8.190 nan 0.000 0.424 181 M N 6.560 126.035 119.600 -0.208 0.000 2.101 181 M HA 0.604 5.083 4.480 -0.001 0.000 0.340 181 M C -1.091 174.944 176.300 -0.441 0.000 1.057 181 M CA -0.051 55.025 55.300 -0.373 0.000 0.984 181 M CB 1.329 33.672 32.600 -0.429 0.000 1.560 181 M HN 0.409 nan 8.290 nan 0.000 0.435 182 V N 6.309 125.945 119.914 -0.464 0.000 2.394 182 V HA 0.448 4.567 4.120 -0.001 0.000 0.282 182 V C -0.907 174.940 176.094 -0.411 0.000 1.031 182 V CA -0.388 61.705 62.300 -0.346 0.000 0.881 182 V CB 0.995 32.641 31.823 -0.295 0.000 0.982 182 V HN 0.651 nan 8.190 nan 0.000 0.451 183 F N 4.038 123.995 119.950 0.012 0.000 2.308 183 F HA 0.368 4.895 4.527 -0.001 0.000 0.370 183 F C -0.131 175.744 175.800 0.124 0.000 1.100 183 F CA -0.594 57.456 58.000 0.084 0.000 1.108 183 F CB 1.015 40.061 39.000 0.078 0.000 1.293 183 F HN 0.519 nan 8.300 nan 0.000 0.478 184 W N 4.686 126.087 121.300 0.168 0.000 2.288 184 W HA 0.504 5.164 4.660 -0.001 0.000 0.325 184 W C 0.267 176.851 176.519 0.108 0.000 1.019 184 W CA -1.125 56.292 57.345 0.121 0.000 1.403 184 W CB 1.038 30.540 29.460 0.070 0.000 1.226 184 W HN 0.750 nan 8.180 nan 0.000 0.391 185 A N 4.040 127.110 122.820 0.417 0.000 2.846 185 A HA 0.072 4.391 4.320 -0.001 0.000 0.287 185 A C -0.078 177.590 177.584 0.140 0.000 1.469 185 A CA 1.337 53.545 52.037 0.284 0.000 0.757 185 A CB -1.768 17.422 19.000 0.315 0.000 1.033 185 A HN 1.404 nan 8.150 nan 0.000 0.516 186 A N -0.463 122.441 122.820 0.141 0.000 2.393 186 A HA 0.691 5.010 4.320 -0.001 0.000 0.306 186 A C -0.472 177.122 177.584 0.017 0.000 1.050 186 A CA 0.298 52.343 52.037 0.014 0.000 0.724 186 A CB 1.232 20.274 19.000 0.070 0.000 1.248 186 A HN 0.942 nan 8.150 nan 0.000 0.424 187 D N 3.178 123.562 120.400 -0.027 0.000 2.513 187 D HA 0.332 4.971 4.640 -0.001 0.000 0.295 187 D C -1.747 174.503 176.300 -0.082 0.000 1.202 187 D CA -1.750 52.225 54.000 -0.042 0.000 0.849 187 D CB 1.135 41.960 40.800 0.040 0.000 1.116 187 D HN 0.146 nan 8.370 nan 0.000 0.502 188 P HA -0.157 nan 4.420 nan 0.000 0.217 188 P C 1.859 179.013 177.300 -0.242 0.000 1.148 188 P CA 0.735 63.736 63.100 -0.164 0.000 0.828 188 P CB 0.574 32.135 31.700 -0.232 0.000 0.783 189 I N -0.024 120.405 120.570 -0.234 0.000 2.226 189 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 189 I C 2.683 178.744 176.117 -0.092 0.000 1.100 189 I CA 1.632 62.844 61.300 -0.147 0.000 1.374 189 I CB -0.555 37.390 38.000 -0.091 0.000 1.057 189 I HN 0.057 nan 8.210 nan 0.000 0.413 190 K N 0.955 121.260 120.400 -0.159 0.000 2.031 190 K HA -0.145 4.174 4.320 -0.001 0.000 0.205 190 K C 2.003 178.413 176.600 -0.316 0.000 1.049 190 K CA 1.990 58.005 56.287 -0.453 0.000 0.939 190 K CB -0.033 32.310 32.500 -0.262 0.000 0.717 190 K HN 0.361 nan 8.250 nan 0.000 0.438 191 T N -2.025 112.442 114.554 -0.146 0.000 3.081 191 T HA 0.098 4.447 4.350 -0.001 0.000 0.255 191 T C 1.424 176.102 174.700 -0.038 0.000 1.113 191 T CA 0.509 62.564 62.100 -0.075 0.000 1.082 191 T CB 0.254 69.130 68.868 0.012 0.000 0.939 191 T HN -0.003 nan 8.240 nan 0.000 0.506 192 S N 1.492 117.163 115.700 -0.048 0.000 2.631 192 S HA 0.137 4.606 4.470 -0.001 0.000 0.217 192 S C 1.683 176.422 174.600 0.233 0.000 0.958 192 S CA -0.242 57.952 58.200 -0.010 0.000 0.920 192 S CB -0.163 62.877 63.200 -0.267 0.000 0.776 192 S HN 0.577 nan 8.310 nan 0.000 0.517 193 Q N 0.584 120.505 119.800 0.202 0.000 2.297 193 Q HA 0.068 4.407 4.340 -0.001 0.000 0.204 193 Q C 0.489 176.704 176.000 0.359 0.000 0.962 193 Q CA 0.637 56.626 55.803 0.310 0.000 0.879 193 Q CB -0.114 28.707 28.738 0.138 0.000 0.947 193 Q HN 0.710 nan 8.270 nan 0.000 0.462 194 I N -4.223 116.416 120.570 0.115 0.000 2.957 194 I HA 0.773 4.943 4.170 -0.001 0.000 0.310 194 I C -0.156 175.962 176.117 0.001 0.000 1.063 194 I CA -1.028 60.259 61.300 -0.022 0.000 1.033 194 I CB 2.079 39.906 38.000 -0.288 0.000 1.230 194 I HN -0.178 nan 8.210 nan 0.000 0.447 195 G N 1.571 110.401 108.800 0.049 0.000 2.619 195 G HA2 0.257 4.216 3.960 -0.001 0.000 0.296 195 G HA3 0.257 4.216 3.960 -0.001 0.000 0.296 195 G C -0.647 174.430 174.900 0.294 0.000 1.334 195 G CA -0.662 44.489 45.100 0.084 0.000 0.934 195 G HN 0.986 nan 8.290 nan 0.000 0.476 196 W N 1.789 123.085 121.300 -0.006 0.000 2.408 196 W HA 0.010 4.669 4.660 -0.001 0.000 0.311 196 W C 0.874 177.395 176.519 0.002 0.000 1.190 196 W CA 1.848 59.096 57.345 -0.163 0.000 1.321 196 W CB -0.022 29.250 29.460 -0.314 0.000 1.143 196 W HN 0.444 nan 8.180 nan 0.000 0.501 197 V N 0.380 120.298 119.914 0.007 0.000 3.561 197 V HA 0.248 4.367 4.120 -0.001 0.000 0.290 197 V C 0.904 176.984 176.094 -0.023 0.000 1.052 197 V CA -1.284 60.954 62.300 -0.103 0.000 0.973 197 V CB -0.135 31.652 31.823 -0.061 0.000 1.243 197 V HN -0.034 nan 8.190 nan 0.000 0.432 198 I N 2.171 122.714 120.570 -0.044 0.000 2.775 198 I HA 0.205 4.374 4.170 -0.001 0.000 0.290 198 I C -2.170 173.941 176.117 -0.011 0.000 1.203 198 I CA -1.085 60.204 61.300 -0.018 0.000 1.433 198 I CB -0.227 37.735 38.000 -0.063 0.000 1.354 198 I HN 0.560 nan 8.210 nan 0.000 0.579 199 P HA 0.145 nan 4.420 nan 0.000 0.282 199 P C 0.191 177.416 177.300 -0.125 0.000 1.249 199 P CA -0.258 62.777 63.100 -0.108 0.000 0.806 199 P CB 0.845 32.408 31.700 -0.227 0.000 0.984 200 E N 1.743 121.933 120.200 -0.016 0.000 2.476 200 E HA -0.084 4.265 4.350 -0.001 0.000 0.199 200 E C -0.236 176.469 176.600 0.174 0.000 1.021 200 E CA 0.044 56.518 56.400 0.123 0.000 0.907 200 E CB -0.932 28.883 29.700 0.192 0.000 0.974 200 E HN 0.597 nan 8.360 nan 0.000 0.489 201 H N -0.572 118.644 119.070 0.243 0.000 2.791 201 H HA -0.134 4.422 4.556 -0.001 0.000 0.302 201 H C 1.160 176.628 175.328 0.234 0.000 1.198 201 H CA -0.015 56.212 56.048 0.298 0.000 1.145 201 H CB -1.585 28.394 29.762 0.362 0.000 1.385 201 H HN 0.435 nan 8.280 nan 0.000 0.409 202 G N -0.042 108.901 108.800 0.238 0.000 2.509 202 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.218 202 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.218 202 G C 1.684 176.579 174.900 -0.008 0.000 1.124 202 G CA 0.622 45.821 45.100 0.165 0.000 0.776 202 G HN 0.613 nan 8.290 nan 0.000 0.547 203 A N 0.170 122.923 122.820 -0.112 0.000 1.969 203 A HA 0.095 4.414 4.320 -0.001 0.000 0.218 203 A C 2.063 179.206 177.584 -0.734 0.000 1.169 203 A CA 1.093 52.848 52.037 -0.470 0.000 0.635 203 A CB -0.461 18.306 19.000 -0.389 0.000 0.810 203 A HN 0.385 nan 8.150 nan 0.000 0.445 204 Y N 0.431 120.537 120.300 -0.323 0.000 2.114 204 Y HA -0.110 4.439 4.550 -0.001 0.000 0.284 204 Y C -0.097 175.620 175.900 -0.304 0.000 1.143 204 Y CA 2.046 59.911 58.100 -0.391 0.000 1.135 204 Y CB -1.673 36.536 38.460 -0.418 0.000 0.980 204 Y HN 0.308 nan 8.280 nan 0.000 0.499 205 P HA -0.090 nan 4.420 nan 0.000 0.217 205 P C 1.821 179.004 177.300 -0.195 0.000 1.150 205 P CA 2.047 65.105 63.100 -0.069 0.000 0.832 205 P CB -0.310 31.385 31.700 -0.009 0.000 0.787 206 G N 0.325 108.820 108.800 -0.509 0.000 2.446 206 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 206 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 206 G C 1.531 176.062 174.900 -0.616 0.000 1.168 206 G CA 0.748 45.328 45.100 -0.867 0.000 0.771 206 G HN 0.233 nan 8.290 nan 0.000 0.551 207 L N -0.091 120.774 121.223 -0.596 0.000 2.056 207 L HA 0.003 4.342 4.340 -0.001 0.000 0.207 207 L C 2.860 179.851 176.870 0.202 0.000 1.078 207 L CA 1.241 56.014 54.840 -0.112 0.000 0.749 207 L CB -0.463 41.385 42.059 -0.352 0.000 0.901 207 L HN 0.220 nan 8.230 nan 0.000 0.433 208 E N 0.358 120.629 120.200 0.119 0.000 2.058 208 E HA -0.254 4.095 4.350 -0.001 0.000 0.194 208 E C 2.304 178.994 176.600 0.151 0.000 0.997 208 E CA 1.444 57.967 56.400 0.206 0.000 0.801 208 E CB -0.265 29.524 29.700 0.148 0.000 0.746 208 E HN 0.489 nan 8.360 nan 0.000 0.450 209 A N 0.700 123.580 122.820 0.101 0.000 1.972 209 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 209 A C 2.126 179.808 177.584 0.164 0.000 1.169 209 A CA 1.057 53.163 52.037 0.114 0.000 0.635 209 A CB -0.531 18.530 19.000 0.101 0.000 0.810 209 A HN 0.153 nan 8.150 nan 0.000 0.446 210 L N -0.858 120.509 121.223 0.240 0.000 2.109 210 L HA -0.136 4.203 4.340 -0.001 0.000 0.207 210 L C 2.606 179.648 176.870 0.287 0.000 1.086 210 L CA 1.696 56.697 54.840 0.269 0.000 0.760 210 L CB -0.505 41.757 42.059 0.338 0.000 0.910 210 L HN 0.455 nan 8.230 nan 0.000 0.437 211 K N 0.929 121.565 120.400 0.394 0.000 2.026 211 K HA -0.179 4.140 4.320 -0.001 0.000 0.208 211 K C 2.131 178.809 176.600 0.130 0.000 1.048 211 K CA 1.447 57.910 56.287 0.293 0.000 0.929 211 K CB -0.063 32.503 32.500 0.111 0.000 0.713 211 K HN 0.240 nan 8.250 nan 0.000 0.439 212 A N 1.369 124.252 122.820 0.104 0.000 2.019 212 A HA -0.109 4.210 4.320 -0.001 0.000 0.219 212 A C 1.754 179.378 177.584 0.067 0.000 1.164 212 A CA 1.283 53.358 52.037 0.065 0.000 0.644 212 A CB -0.180 18.856 19.000 0.061 0.000 0.805 212 A HN 0.211 nan 8.150 nan 0.000 0.449 213 K N -1.322 119.130 120.400 0.087 0.000 2.444 213 K HA 0.124 4.444 4.320 -0.001 0.000 0.193 213 K C 1.050 177.689 176.600 0.065 0.000 1.024 213 K CA 0.669 56.999 56.287 0.072 0.000 1.077 213 K CB -0.055 32.492 32.500 0.078 0.000 0.833 213 K HN 0.695 nan 8.250 nan 0.000 0.517 214 G N 2.328 111.173 108.800 0.075 0.000 2.160 214 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.251 214 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.251 214 G C 0.200 175.134 174.900 0.057 0.000 1.008 214 G CA 0.562 45.700 45.100 0.064 0.000 0.724 214 G HN 0.245 nan 8.290 nan 0.000 0.514 215 T N 0.241 114.831 114.554 0.060 0.000 2.940 215 T HA 0.325 4.674 4.350 -0.001 0.000 0.309 215 T C 0.797 175.498 174.700 0.002 0.000 1.056 215 T CA 0.775 62.890 62.100 0.025 0.000 1.137 215 T CB 1.042 69.920 68.868 0.016 0.000 0.976 215 T HN 0.668 nan 8.240 nan 0.000 0.547 216 K N 2.650 123.044 120.400 -0.011 0.000 2.339 216 K HA 0.347 4.666 4.320 -0.001 0.000 0.286 216 K C -1.133 175.423 176.600 -0.073 0.000 1.050 216 K CA -0.413 55.865 56.287 -0.015 0.000 0.956 216 K CB 0.398 32.903 32.500 0.008 0.000 0.990 216 K HN 0.296 nan 8.250 nan 0.000 0.475 217 V N 6.698 126.556 119.914 -0.093 0.000 2.448 217 V HA 0.417 4.536 4.120 -0.001 0.000 0.295 217 V C -0.349 175.725 176.094 -0.033 0.000 1.025 217 V CA -0.767 61.434 62.300 -0.164 0.000 0.859 217 V CB 1.252 32.817 31.823 -0.430 0.000 0.988 217 V HN 0.719 nan 8.190 nan 0.000 0.431 218 I N 4.861 125.422 120.570 -0.015 0.000 2.404 218 I HA 0.564 4.733 4.170 -0.001 0.000 0.293 218 I C -0.634 175.532 176.117 0.081 0.000 0.992 218 I CA -0.823 60.503 61.300 0.043 0.000 1.149 218 I CB 2.141 40.173 38.000 0.054 0.000 1.315 218 I HN 0.256 nan 8.210 nan 0.000 0.446 219 V N 7.244 127.233 119.914 0.124 0.000 2.448 219 V HA 0.446 4.565 4.120 -0.001 0.000 0.295 219 V C -0.138 176.034 176.094 0.130 0.000 1.025 219 V CA -0.443 61.954 62.300 0.162 0.000 0.859 219 V CB 1.946 33.868 31.823 0.166 0.000 0.988 219 V HN 0.477 nan 8.190 nan 0.000 0.431 220 I N 4.794 125.371 120.570 0.011 0.000 2.371 220 I HA 0.535 4.704 4.170 -0.001 0.000 0.282 220 I C -0.746 175.404 176.117 0.054 0.000 1.031 220 I CA 0.160 61.391 61.300 -0.116 0.000 1.180 220 I CB 0.913 38.532 38.000 -0.637 0.000 1.336 220 I HN 0.560 nan 8.210 nan 0.000 0.467 221 D N 8.116 128.615 120.400 0.164 0.000 2.836 221 D HA 0.187 4.826 4.640 -0.001 0.000 0.215 221 D C -2.310 174.141 176.300 0.251 0.000 1.255 221 D CA -1.231 52.898 54.000 0.214 0.000 0.822 221 D CB 3.311 44.247 40.800 0.227 0.000 1.656 221 D HN 0.043 nan 8.370 nan 0.000 0.511 222 P HA -0.043 nan 4.420 nan 0.000 0.222 222 P C 0.583 177.999 177.300 0.194 0.000 1.147 222 P CA 0.462 63.639 63.100 0.128 0.000 0.790 222 P CB 0.560 32.315 31.700 0.092 0.000 0.780 223 V N 0.724 120.784 119.914 0.243 0.000 2.581 223 V HA 0.302 4.422 4.120 -0.001 0.000 0.303 223 V C 0.755 176.982 176.094 0.222 0.000 1.041 223 V CA -1.051 61.382 62.300 0.222 0.000 0.907 223 V CB 2.123 34.047 31.823 0.169 0.000 0.994 223 V HN -0.128 nan 8.190 nan 0.000 0.442 224 R N 2.905 123.519 120.500 0.190 0.000 2.325 224 R HA 0.275 4.614 4.340 -0.001 0.000 0.323 224 R C 0.414 176.707 176.300 -0.012 0.000 1.177 224 R CA -0.124 55.954 56.100 -0.038 0.000 1.018 224 R CB 0.133 30.483 30.300 0.082 0.000 1.070 224 R HN 0.990 nan 8.270 nan 0.000 0.495 225 T N -0.103 114.433 114.554 -0.030 0.000 2.814 225 T HA 0.174 4.524 4.350 -0.001 0.000 0.284 225 T C 1.146 175.890 174.700 0.073 0.000 0.998 225 T CA -0.675 61.465 62.100 0.067 0.000 0.935 225 T CB 1.038 69.962 68.868 0.094 0.000 1.167 225 T HN 0.413 nan 8.240 nan 0.000 0.545 226 K N -0.134 120.350 120.400 0.140 0.000 2.211 226 K HA -0.074 4.245 4.320 -0.001 0.000 0.203 226 K C 2.391 179.071 176.600 0.134 0.000 1.050 226 K CA 1.303 57.683 56.287 0.155 0.000 0.945 226 K CB -0.581 32.081 32.500 0.271 0.000 0.732 226 K HN 0.611 nan 8.250 nan 0.000 0.451 227 T N 0.975 115.584 114.554 0.091 0.000 2.821 227 T HA -0.086 4.263 4.350 -0.001 0.000 0.267 227 T C 1.967 176.798 174.700 0.219 0.000 1.046 227 T CA 0.971 63.126 62.100 0.091 0.000 1.139 227 T CB -0.047 68.795 68.868 -0.043 0.000 0.871 227 T HN -0.052 nan 8.240 nan 0.000 0.454 228 V N 1.233 121.213 119.914 0.110 0.000 2.358 228 V HA -0.150 3.969 4.120 -0.001 0.000 0.246 228 V C 2.448 178.626 176.094 0.139 0.000 1.047 228 V CA 1.679 64.033 62.300 0.089 0.000 1.035 228 V CB -0.547 31.191 31.823 -0.141 0.000 0.658 228 V HN 0.475 nan 8.190 nan 0.000 0.452 229 E N -0.583 119.681 120.200 0.105 0.000 2.072 229 E HA -0.204 4.146 4.350 -0.001 0.000 0.191 229 E C 1.968 178.620 176.600 0.087 0.000 0.985 229 E CA 1.392 57.845 56.400 0.088 0.000 0.801 229 E CB -0.261 29.481 29.700 0.071 0.000 0.750 229 E HN 0.559 nan 8.360 nan 0.000 0.452 230 F N 0.051 119.968 119.950 -0.055 0.000 2.087 230 F HA -0.252 4.275 4.527 -0.001 0.000 0.299 230 F C 1.471 177.134 175.800 -0.228 0.000 1.100 230 F CA 1.582 59.464 58.000 -0.197 0.000 1.226 230 F CB -0.092 38.693 39.000 -0.358 0.000 0.983 230 F HN -0.010 nan 8.300 nan 0.000 0.479 231 F N 0.114 120.114 119.950 0.084 0.000 2.754 231 F HA 0.308 4.834 4.527 -0.001 0.000 0.297 231 F C 1.851 177.652 175.800 0.002 0.000 1.122 231 F CA 0.531 58.541 58.000 0.016 0.000 1.400 231 F CB -0.608 38.490 39.000 0.162 0.000 1.117 231 F HN 0.063 nan 8.300 nan 0.000 0.587 232 G N 1.343 110.240 108.800 0.162 0.000 2.323 232 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.292 232 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.292 232 G C 0.381 175.372 174.900 0.153 0.000 1.040 232 G CA -0.003 45.168 45.100 0.118 0.000 0.942 232 G HN 0.645 nan 8.290 nan 0.000 0.506 233 A N -0.527 122.412 122.820 0.199 0.000 2.425 233 A HA 0.579 4.898 4.320 -0.001 0.000 0.242 233 A C 0.730 178.394 177.584 0.133 0.000 1.077 233 A CA 0.396 52.533 52.037 0.167 0.000 0.781 233 A CB 0.350 19.468 19.000 0.198 0.000 1.020 233 A HN 0.804 nan 8.150 nan 0.000 0.494 234 E N 0.757 121.021 120.200 0.107 0.000 2.415 234 E HA -0.008 4.341 4.350 -0.001 0.000 0.260 234 E C -0.340 176.355 176.600 0.158 0.000 1.016 234 E CA 0.256 56.718 56.400 0.103 0.000 0.924 234 E CB 0.079 29.815 29.700 0.061 0.000 0.961 234 E HN 0.708 nan 8.360 nan 0.000 0.459 235 H N 6.323 125.413 119.070 0.033 0.000 2.581 235 H HA 0.217 4.772 4.556 -0.001 0.000 0.308 235 H C -0.733 174.594 175.328 -0.001 0.000 1.040 235 H CA -1.220 54.845 56.048 0.028 0.000 1.231 235 H CB 0.478 30.270 29.762 0.050 0.000 1.396 235 H HN 0.377 nan 8.280 nan 0.000 0.467 236 I N 5.193 125.754 120.570 -0.015 0.000 2.331 236 I HA 0.055 4.224 4.170 -0.001 0.000 0.292 236 I C 0.701 176.685 176.117 -0.222 0.000 0.998 236 I CA -0.600 60.611 61.300 -0.148 0.000 1.267 236 I CB 1.121 39.042 38.000 -0.131 0.000 1.386 236 I HN 0.604 nan 8.210 nan 0.000 0.476 237 T N 5.007 119.399 114.554 -0.269 0.000 3.053 237 T HA 0.566 4.916 4.350 -0.001 0.000 0.363 237 T C -2.497 172.138 174.700 -0.107 0.000 1.239 237 T CA -1.697 60.280 62.100 -0.205 0.000 1.071 237 T CB 1.071 69.774 68.868 -0.275 0.000 1.089 237 T HN 0.294 nan 8.240 nan 0.000 0.527 238 P HA 0.377 nan 4.420 nan 0.000 0.279 238 P C -0.457 176.823 177.300 -0.033 0.000 1.252 238 P CA -0.772 62.304 63.100 -0.040 0.000 0.811 238 P CB 1.009 32.715 31.700 0.008 0.000 1.035 239 K N 2.361 122.733 120.400 -0.047 0.000 2.412 239 K HA 0.176 4.495 4.320 -0.001 0.000 0.281 239 K C -2.053 174.510 176.600 -0.060 0.000 1.027 239 K CA -1.254 55.002 56.287 -0.051 0.000 0.989 239 K CB -0.660 31.814 32.500 -0.044 0.000 0.935 239 K HN 0.375 nan 8.250 nan 0.000 0.475 240 P HA -0.103 nan 4.420 nan 0.000 0.265 240 P C -0.749 176.476 177.300 -0.125 0.000 1.187 240 P CA 0.447 63.393 63.100 -0.256 0.000 0.766 240 P CB 0.500 31.736 31.700 -0.774 0.000 0.820 241 Q N -0.910 118.905 119.800 0.026 0.000 2.429 241 Q HA -0.151 4.188 4.340 -0.001 0.000 0.232 241 Q C 0.258 176.425 176.000 0.278 0.000 0.724 241 Q CA 1.405 57.305 55.803 0.161 0.000 1.287 241 Q CB -2.877 25.972 28.738 0.185 0.000 1.429 241 Q HN 0.721 nan 8.270 nan 0.000 0.721 242 T N -4.907 109.763 114.554 0.194 0.000 3.132 242 T HA 0.209 4.558 4.350 -0.001 0.000 0.274 242 T C 0.573 175.340 174.700 0.113 0.000 1.011 242 T CA 0.369 62.547 62.100 0.131 0.000 0.899 242 T CB 0.273 69.099 68.868 -0.070 0.000 1.089 242 T HN 0.097 nan 8.240 nan 0.000 0.543 243 D N 1.888 122.416 120.400 0.213 0.000 2.149 243 D HA -0.095 4.545 4.640 -0.001 0.000 0.198 243 D C 1.994 178.418 176.300 0.207 0.000 0.990 243 D CA 0.859 55.023 54.000 0.274 0.000 0.839 243 D CB -0.247 40.738 40.800 0.308 0.000 0.948 243 D HN 0.259 nan 8.370 nan 0.000 0.460 244 V N 0.956 121.000 119.914 0.217 0.000 2.343 244 V HA -0.267 3.852 4.120 -0.001 0.000 0.247 244 V C 2.411 178.649 176.094 0.240 0.000 1.051 244 V CA 1.787 64.234 62.300 0.244 0.000 1.036 244 V CB -0.824 31.221 31.823 0.371 0.000 0.654 244 V HN 0.271 nan 8.190 nan 0.000 0.451 245 A N 0.124 122.977 122.820 0.055 0.000 1.883 245 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 245 A C 2.180 179.757 177.584 -0.011 0.000 1.186 245 A CA 2.119 54.035 52.037 -0.202 0.000 0.624 245 A CB -0.592 17.831 19.000 -0.962 0.000 0.822 245 A HN 0.497 nan 8.150 nan 0.000 0.444 246 I N -0.694 119.889 120.570 0.022 0.000 2.151 246 I HA -0.378 3.791 4.170 -0.001 0.000 0.243 246 I C 2.792 179.056 176.117 0.245 0.000 1.080 246 I CA 2.001 63.382 61.300 0.135 0.000 1.339 246 I CB -0.403 37.729 38.000 0.219 0.000 1.039 246 I HN 0.375 nan 8.210 nan 0.000 0.409 247 M N -0.021 119.752 119.600 0.287 0.000 2.080 247 M HA -0.256 4.223 4.480 -0.001 0.000 0.260 247 M C 2.384 178.831 176.300 0.245 0.000 1.068 247 M CA 1.963 57.418 55.300 0.259 0.000 1.109 247 M CB -0.515 32.139 32.600 0.091 0.000 1.342 247 M HN 0.238 nan 8.290 nan 0.000 0.405 248 L N -0.461 120.921 121.223 0.265 0.000 2.046 248 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 248 L C 2.699 179.710 176.870 0.235 0.000 1.077 248 L CA 1.372 56.375 54.840 0.272 0.000 0.747 248 L CB -1.192 41.054 42.059 0.313 0.000 0.896 248 L HN 0.444 nan 8.230 nan 0.000 0.432 249 G N -0.559 108.392 108.800 0.250 0.000 2.422 249 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.218 249 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.218 249 G C 1.617 176.630 174.900 0.189 0.000 1.146 249 G CA 0.600 45.824 45.100 0.206 0.000 0.769 249 G HN 0.204 nan 8.290 nan 0.000 0.547 250 M N 0.771 120.483 119.600 0.186 0.000 2.099 250 M HA 0.050 4.529 4.480 -0.001 0.000 0.262 250 M C 3.078 179.475 176.300 0.162 0.000 1.067 250 M CA 1.364 56.762 55.300 0.164 0.000 1.124 250 M CB -0.248 32.480 32.600 0.213 0.000 1.353 250 M HN 0.283 nan 8.290 nan 0.000 0.410 251 A N -0.286 122.647 122.820 0.189 0.000 1.892 251 A HA -0.259 4.060 4.320 -0.001 0.000 0.218 251 A C 2.084 179.728 177.584 0.100 0.000 1.188 251 A CA 2.052 54.191 52.037 0.170 0.000 0.631 251 A CB -1.360 17.786 19.000 0.243 0.000 0.822 251 A HN 0.609 nan 8.150 nan 0.000 0.447 252 H N -0.106 118.981 119.070 0.028 0.000 2.290 252 H HA -0.130 4.425 4.556 -0.001 0.000 0.298 252 H C 2.065 177.397 175.328 0.008 0.000 1.087 252 H CA 2.275 58.306 56.048 -0.027 0.000 1.291 252 H CB -0.409 29.319 29.762 -0.056 0.000 1.369 252 H HN 0.425 nan 8.280 nan 0.000 0.492 253 T N 1.893 116.492 114.554 0.075 0.000 2.720 253 T HA -0.131 4.218 4.350 -0.001 0.000 0.268 253 T C 2.458 177.160 174.700 0.003 0.000 1.037 253 T CA 1.456 63.582 62.100 0.043 0.000 1.144 253 T CB -0.360 68.558 68.868 0.084 0.000 0.864 253 T HN 0.247 nan 8.240 nan 0.000 0.444 254 L N 0.491 121.741 121.223 0.045 0.000 2.131 254 L HA -0.077 4.263 4.340 -0.001 0.000 0.210 254 L C 2.589 179.547 176.870 0.147 0.000 1.092 254 L CA 0.720 55.621 54.840 0.102 0.000 0.759 254 L CB -0.641 41.507 42.059 0.148 0.000 0.903 254 L HN 0.151 nan 8.230 nan 0.000 0.435 255 V N -0.173 119.754 119.914 0.022 0.000 2.273 255 V HA -0.195 3.924 4.120 -0.001 0.000 0.242 255 V C 2.742 178.831 176.094 -0.008 0.000 1.035 255 V CA 1.663 63.991 62.300 0.047 0.000 1.013 255 V CB -0.688 31.060 31.823 -0.125 0.000 0.652 255 V HN 0.438 nan 8.190 nan 0.000 0.452 256 A N -0.252 122.452 122.820 -0.194 0.000 1.917 256 A HA -0.275 4.044 4.320 -0.001 0.000 0.219 256 A C 1.983 179.544 177.584 -0.040 0.000 1.182 256 A CA 2.121 54.061 52.037 -0.162 0.000 0.633 256 A CB -0.493 18.374 19.000 -0.221 0.000 0.819 256 A HN 0.667 nan 8.150 nan 0.000 0.448 257 E N -1.151 119.044 120.200 -0.008 0.000 2.476 257 E HA 0.062 4.411 4.350 -0.001 0.000 0.191 257 E C -0.314 176.306 176.600 0.034 0.000 1.064 257 E CA 0.237 56.647 56.400 0.016 0.000 0.866 257 E CB 0.040 29.751 29.700 0.018 0.000 0.952 257 E HN 0.502 nan 8.360 nan 0.000 0.492 258 D N 0.164 120.602 120.400 0.063 0.000 2.708 258 D HA -0.201 4.439 4.640 -0.001 0.000 0.236 258 D C 0.301 176.625 176.300 0.039 0.000 1.146 258 D CA 0.446 54.486 54.000 0.067 0.000 0.662 258 D CB -1.093 39.718 40.800 0.017 0.000 1.059 258 D HN 0.288 nan 8.370 nan 0.000 0.428 259 L N -0.550 120.732 121.223 0.098 0.000 2.463 259 L HA 0.072 4.411 4.340 -0.001 0.000 0.219 259 L C 1.384 178.304 176.870 0.083 0.000 1.088 259 L CA -0.231 54.650 54.840 0.070 0.000 0.849 259 L CB -0.263 41.845 42.059 0.082 0.000 1.012 259 L HN 0.288 nan 8.230 nan 0.000 0.468 260 Y N -0.733 119.581 120.300 0.022 0.000 2.426 260 Y HA 0.110 4.659 4.550 -0.001 0.000 0.344 260 Y C 0.361 176.266 175.900 0.008 0.000 1.256 260 Y CA -1.259 56.852 58.100 0.019 0.000 1.451 260 Y CB -0.062 38.413 38.460 0.024 0.000 1.342 260 Y HN -0.119 nan 8.280 nan 0.000 0.600 261 D N 2.455 122.892 120.400 0.063 0.000 2.470 261 D HA 0.063 4.702 4.640 -0.001 0.000 0.226 261 D C 0.361 176.644 176.300 -0.029 0.000 1.196 261 D CA 0.090 54.087 54.000 -0.005 0.000 0.979 261 D CB 0.294 41.141 40.800 0.077 0.000 1.059 261 D HN 0.740 nan 8.370 nan 0.000 0.515 262 K N 1.368 121.603 120.400 -0.274 0.000 2.103 262 K HA -0.126 4.193 4.320 -0.001 0.000 0.207 262 K C 1.194 177.777 176.600 -0.028 0.000 1.048 262 K CA 0.965 57.124 56.287 -0.213 0.000 0.930 262 K CB 0.375 32.697 32.500 -0.298 0.000 0.716 262 K HN 0.381 nan 8.250 nan 0.000 0.444 263 D N 0.250 120.655 120.400 0.008 0.000 2.117 263 D HA -0.153 4.486 4.640 -0.001 0.000 0.198 263 D C 1.737 178.116 176.300 0.131 0.000 0.982 263 D CA 0.933 54.965 54.000 0.052 0.000 0.828 263 D CB -0.195 40.640 40.800 0.057 0.000 0.967 263 D HN 0.089 nan 8.370 nan 0.000 0.464 264 F N 1.791 121.785 119.950 0.074 0.000 2.134 264 F HA -0.201 4.326 4.527 -0.001 0.000 0.299 264 F C 2.210 178.107 175.800 0.162 0.000 1.097 264 F CA 1.001 59.094 58.000 0.155 0.000 1.264 264 F CB -0.030 38.993 39.000 0.037 0.000 1.001 264 F HN -0.167 nan 8.300 nan 0.000 0.479 265 I N 0.622 121.310 120.570 0.197 0.000 2.163 265 I HA -0.307 3.863 4.170 -0.001 0.000 0.243 265 I C 2.735 178.853 176.117 0.002 0.000 1.085 265 I CA 1.608 62.941 61.300 0.056 0.000 1.347 265 I CB -2.061 35.875 38.000 -0.107 0.000 1.044 265 I HN 0.239 nan 8.210 nan 0.000 0.408 266 A N 0.810 123.631 122.820 0.003 0.000 1.933 266 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 266 A C 1.978 179.501 177.584 -0.101 0.000 1.175 266 A CA 1.687 53.712 52.037 -0.021 0.000 0.628 266 A CB -0.457 18.535 19.000 -0.014 0.000 0.814 266 A HN 0.467 nan 8.150 nan 0.000 0.444 267 N N -2.428 116.158 118.700 -0.190 0.000 2.356 267 N HA 0.098 4.837 4.740 -0.001 0.000 0.178 267 N C 0.123 175.178 175.510 -0.759 0.000 1.075 267 N CA 0.702 53.489 53.050 -0.439 0.000 0.889 267 N CB 0.164 38.357 38.487 -0.490 0.000 0.999 267 N HN 0.625 nan 8.380 nan 0.000 0.464 268 Y N -0.267 119.763 120.300 -0.449 0.000 2.563 268 Y HA 0.205 4.755 4.550 -0.001 0.000 0.250 268 Y C 0.766 176.598 175.900 -0.115 0.000 1.126 268 Y CA -0.405 57.425 58.100 -0.449 0.000 1.231 268 Y CB 0.657 38.411 38.460 -1.178 0.000 1.288 268 Y HN -0.124 nan 8.280 nan 0.000 0.537 269 T N -3.189 111.378 114.554 0.022 0.000 2.887 269 T HA 0.708 5.057 4.350 -0.001 0.000 0.292 269 T C -0.622 174.149 174.700 0.119 0.000 1.087 269 T CA -0.953 61.225 62.100 0.129 0.000 1.009 269 T CB 2.230 71.196 68.868 0.163 0.000 1.203 269 T HN -0.128 nan 8.240 nan 0.000 0.518 270 S N -0.982 114.815 115.700 0.160 0.000 2.547 270 S HA 0.643 5.113 4.470 -0.001 0.000 0.281 270 S C 0.882 175.611 174.600 0.216 0.000 1.118 270 S CA 0.504 58.799 58.200 0.159 0.000 0.947 270 S CB 0.680 63.965 63.200 0.142 0.000 1.053 270 S HN 2.324 nan 8.310 nan 0.000 0.482 271 G N 3.237 112.162 108.800 0.207 0.000 2.175 271 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.244 271 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.244 271 G C 0.578 175.627 174.900 0.248 0.000 0.982 271 G CA 0.363 45.600 45.100 0.229 0.000 0.641 271 G HN 0.809 nan 8.290 nan 0.000 0.527 272 F N 2.702 122.723 119.950 0.118 0.000 2.161 272 F HA -0.070 4.457 4.527 -0.001 0.000 0.300 272 F C 2.482 178.354 175.800 0.121 0.000 1.089 272 F CA 2.414 60.496 58.000 0.137 0.000 1.282 272 F CB 0.032 39.112 39.000 0.133 0.000 1.010 272 F HN 0.385 nan 8.300 nan 0.000 0.485 273 D N -0.302 120.169 120.400 0.120 0.000 2.263 273 D HA -0.206 4.433 4.640 -0.001 0.000 0.208 273 D C 1.715 177.950 176.300 -0.109 0.000 0.971 273 D CA 1.131 55.127 54.000 -0.006 0.000 0.867 273 D CB -0.502 40.323 40.800 0.042 0.000 0.929 273 D HN 0.321 nan 8.370 nan 0.000 0.492 274 K N -0.981 119.350 120.400 -0.116 0.000 2.314 274 K HA 0.077 4.396 4.320 -0.001 0.000 0.198 274 K C 1.590 178.094 176.600 -0.159 0.000 1.045 274 K CA 0.091 56.263 56.287 -0.193 0.000 0.988 274 K CB -0.094 32.135 32.500 -0.453 0.000 0.783 274 K HN 0.059 nan 8.250 nan 0.000 0.484 275 F N 0.753 120.484 119.950 -0.366 0.000 2.335 275 F HA 0.005 4.531 4.527 -0.001 0.000 0.296 275 F C 1.608 177.105 175.800 -0.504 0.000 1.091 275 F CA 0.390 58.056 58.000 -0.556 0.000 1.399 275 F CB -0.046 38.679 39.000 -0.457 0.000 1.067 275 F HN -0.134 nan 8.300 nan 0.000 0.520 276 L N 1.597 122.459 121.223 -0.602 0.000 2.013 276 L HA -0.127 4.212 4.340 -0.001 0.000 0.212 276 L C -0.790 175.821 176.870 -0.431 0.000 1.073 276 L CA 2.271 56.746 54.840 -0.609 0.000 0.753 276 L CB -1.825 39.931 42.059 -0.505 0.000 0.890 276 L HN 0.008 nan 8.230 nan 0.000 0.432 277 P HA -0.261 nan 4.420 nan 0.000 0.215 277 P C 1.400 178.564 177.300 -0.228 0.000 1.157 277 P CA 1.656 64.629 63.100 -0.212 0.000 0.874 277 P CB -0.331 31.287 31.700 -0.137 0.000 0.790 278 Y N 0.621 120.691 120.300 -0.382 0.000 2.081 278 Y HA -0.214 4.335 4.550 -0.001 0.000 0.280 278 Y C 2.172 177.800 175.900 -0.454 0.000 1.163 278 Y CA 1.379 59.257 58.100 -0.370 0.000 1.135 278 Y CB -1.256 36.959 38.460 -0.409 0.000 0.970 278 Y HN -0.209 nan 8.280 nan 0.000 0.498 279 L N 0.578 121.326 121.223 -0.793 0.000 2.046 279 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 279 L C 1.637 178.232 176.870 -0.459 0.000 1.077 279 L CA 2.269 56.651 54.840 -0.763 0.000 0.747 279 L CB -0.898 40.686 42.059 -0.791 0.000 0.896 279 L HN 0.202 nan 8.230 nan 0.000 0.432 280 D N -0.438 119.751 120.400 -0.352 0.000 2.347 280 D HA 0.131 4.771 4.640 -0.001 0.000 0.213 280 D C 1.671 177.831 176.300 -0.234 0.000 0.985 280 D CA 1.024 54.904 54.000 -0.200 0.000 0.879 280 D CB 0.188 40.891 40.800 -0.162 0.000 0.919 280 D HN 0.525 nan 8.370 nan 0.000 0.526 281 G N 1.280 109.886 108.800 -0.323 0.000 2.141 281 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.231 281 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.231 281 G C 0.911 175.704 174.900 -0.179 0.000 0.984 281 G CA 0.385 45.313 45.100 -0.286 0.000 0.660 281 G HN 0.384 nan 8.290 nan 0.000 0.525 282 E N 0.005 120.115 120.200 -0.150 0.000 2.150 282 E HA -0.076 4.273 4.350 -0.001 0.000 0.193 282 E C 2.559 179.116 176.600 -0.071 0.000 0.985 282 E CA 1.582 57.922 56.400 -0.099 0.000 0.814 282 E CB -0.212 29.435 29.700 -0.089 0.000 0.752 282 E HN 0.708 nan 8.360 nan 0.000 0.466 283 T N -0.627 113.892 114.554 -0.058 0.000 3.067 283 T HA -0.038 4.311 4.350 -0.001 0.000 0.257 283 T C 0.903 175.600 174.700 -0.005 0.000 1.105 283 T CA 0.992 63.086 62.100 -0.011 0.000 1.104 283 T CB 0.078 68.974 68.868 0.047 0.000 0.925 283 T HN 0.153 nan 8.240 nan 0.000 0.498 284 D N -0.902 119.475 120.400 -0.039 0.000 2.530 284 D HA 0.186 4.825 4.640 -0.001 0.000 0.253 284 D C 0.499 176.757 176.300 -0.071 0.000 1.338 284 D CA 0.032 54.012 54.000 -0.034 0.000 0.806 284 D CB -0.401 40.394 40.800 -0.008 0.000 1.160 284 D HN 0.203 nan 8.370 nan 0.000 0.514 285 S N -1.020 114.624 115.700 -0.092 0.000 3.270 285 S HA -0.151 4.319 4.470 -0.001 0.000 0.293 285 S C 0.147 174.660 174.600 -0.146 0.000 1.278 285 S CA 1.300 59.440 58.200 -0.099 0.000 1.038 285 S CB -2.029 61.134 63.200 -0.062 0.000 1.218 285 S HN 0.524 nan 8.310 nan 0.000 0.659 286 T N 2.813 117.230 114.554 -0.227 0.000 3.150 286 T HA 0.422 4.771 4.350 -0.001 0.000 0.383 286 T C -2.856 171.523 174.700 -0.534 0.000 1.313 286 T CA -1.229 60.664 62.100 -0.344 0.000 1.235 286 T CB 1.399 70.059 68.868 -0.348 0.000 1.088 286 T HN -0.067 nan 8.240 nan 0.000 0.556 287 P HA 0.126 nan 4.420 nan 0.000 0.264 287 P C -0.057 176.816 177.300 -0.712 0.000 1.193 287 P CA -0.478 62.335 63.100 -0.478 0.000 0.763 287 P CB 0.518 32.025 31.700 -0.322 0.000 0.810 288 K N 2.220 122.153 120.400 -0.779 0.000 2.751 288 K HA 0.133 4.453 4.320 -0.001 0.000 0.252 288 K C 0.685 177.015 176.600 -0.451 0.000 1.277 288 K CA 0.053 55.829 56.287 -0.852 0.000 1.226 288 K CB -1.127 30.863 32.500 -0.850 0.000 1.658 288 K HN 0.492 nan 8.250 nan 0.000 0.303 289 T N -3.102 111.136 114.554 -0.526 0.000 2.788 289 T HA 0.297 4.646 4.350 -0.001 0.000 0.287 289 T C 1.619 176.313 174.700 -0.011 0.000 1.007 289 T CA -0.094 61.716 62.100 -0.483 0.000 1.005 289 T CB 1.250 69.881 68.868 -0.395 0.000 1.012 289 T HN 0.218 nan 8.240 nan 0.000 0.530 290 A N 0.559 123.395 122.820 0.027 0.000 1.940 290 A HA -0.063 4.257 4.320 -0.001 0.000 0.219 290 A C 2.216 179.803 177.584 0.005 0.000 1.176 290 A CA 1.830 53.892 52.037 0.042 0.000 0.631 290 A CB -1.112 17.911 19.000 0.039 0.000 0.814 290 A HN 0.935 nan 8.150 nan 0.000 0.446 291 E N -1.203 118.999 120.200 0.002 0.000 2.051 291 E HA -0.216 4.133 4.350 -0.001 0.000 0.192 291 E C 1.569 178.166 176.600 -0.005 0.000 0.991 291 E CA 1.529 57.923 56.400 -0.011 0.000 0.799 291 E CB -0.407 29.289 29.700 -0.006 0.000 0.748 291 E HN 0.857 nan 8.360 nan 0.000 0.449 292 W N 1.334 122.537 121.300 -0.161 0.000 2.335 292 W HA -0.211 4.448 4.660 -0.001 0.000 0.311 292 W C 2.276 178.680 176.519 -0.191 0.000 1.213 292 W CA 2.350 59.589 57.345 -0.176 0.000 1.274 292 W CB -0.551 28.780 29.460 -0.215 0.000 1.148 292 W HN 0.054 nan 8.180 nan 0.000 0.498 293 A N 0.040 122.692 122.820 -0.280 0.000 1.972 293 A HA -0.259 4.061 4.320 -0.001 0.000 0.219 293 A C 2.010 179.329 177.584 -0.441 0.000 1.169 293 A CA 1.947 53.652 52.037 -0.552 0.000 0.635 293 A CB -1.037 17.868 19.000 -0.159 0.000 0.810 293 A HN 0.578 nan 8.150 nan 0.000 0.446 294 E N -0.490 119.550 120.200 -0.267 0.000 2.106 294 E HA -0.114 4.236 4.350 -0.001 0.000 0.192 294 E C 2.084 178.540 176.600 -0.240 0.000 0.984 294 E CA 0.909 57.186 56.400 -0.205 0.000 0.806 294 E CB -0.391 29.233 29.700 -0.127 0.000 0.750 294 E HN 0.530 nan 8.360 nan 0.000 0.458 295 G N 1.148 109.777 108.800 -0.285 0.000 2.442 295 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.219 295 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.219 295 G C 1.548 176.251 174.900 -0.328 0.000 1.141 295 G CA 0.904 45.845 45.100 -0.265 0.000 0.763 295 G HN 0.247 nan 8.290 nan 0.000 0.554 296 I N 1.105 121.359 120.570 -0.526 0.000 2.400 296 I HA -0.055 4.115 4.170 -0.001 0.000 0.248 296 I C 2.880 178.794 176.117 -0.338 0.000 1.109 296 I CA 1.367 62.370 61.300 -0.495 0.000 1.425 296 I CB -0.006 37.454 38.000 -0.900 0.000 1.094 296 I HN 0.311 nan 8.210 nan 0.000 0.425 297 S N -0.012 115.490 115.700 -0.331 0.000 2.503 297 S HA 0.209 4.678 4.470 -0.001 0.000 0.217 297 S C 1.765 176.279 174.600 -0.143 0.000 0.999 297 S CA 0.451 58.529 58.200 -0.203 0.000 0.914 297 S CB 0.551 63.642 63.200 -0.181 0.000 0.782 297 S HN 0.552 nan 8.310 nan 0.000 0.520 298 G N 0.793 109.502 108.800 -0.152 0.000 2.184 298 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.264 298 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.264 298 G C 0.060 174.897 174.900 -0.105 0.000 0.975 298 G CA 0.202 45.233 45.100 -0.115 0.000 0.642 298 G HN 0.733 nan 8.290 nan 0.000 0.536 299 V N 2.041 121.889 119.914 -0.111 0.000 2.461 299 V HA 0.392 4.511 4.120 -0.001 0.000 0.275 299 V C -1.444 174.596 176.094 -0.090 0.000 1.047 299 V CA -1.527 60.715 62.300 -0.096 0.000 0.955 299 V CB 1.291 33.059 31.823 -0.091 0.000 0.988 299 V HN 0.102 nan 8.190 nan 0.000 0.471 300 P HA 0.024 nan 4.420 nan 0.000 0.262 300 P C 0.713 177.976 177.300 -0.061 0.000 1.182 300 P CA 0.360 63.421 63.100 -0.066 0.000 0.761 300 P CB 0.652 32.318 31.700 -0.057 0.000 0.795 301 A N 4.570 127.357 122.820 -0.054 0.000 1.903 301 A HA -0.276 4.044 4.320 -0.001 0.000 0.219 301 A C 2.051 179.615 177.584 -0.033 0.000 1.191 301 A CA 1.653 53.666 52.037 -0.040 0.000 0.638 301 A CB -1.045 17.937 19.000 -0.031 0.000 0.823 301 A HN 0.498 nan 8.150 nan 0.000 0.451 302 E N -0.628 119.551 120.200 -0.035 0.000 2.118 302 E HA -0.134 4.215 4.350 -0.001 0.000 0.195 302 E C 2.188 178.758 176.600 -0.049 0.000 0.992 302 E CA 1.701 58.080 56.400 -0.035 0.000 0.804 302 E CB -0.640 29.041 29.700 -0.031 0.000 0.741 302 E HN 0.673 nan 8.360 nan 0.000 0.458 303 T N 1.342 115.862 114.554 -0.058 0.000 2.777 303 T HA -0.048 4.301 4.350 -0.001 0.000 0.266 303 T C 2.126 176.770 174.700 -0.094 0.000 1.040 303 T CA 0.798 62.852 62.100 -0.076 0.000 1.141 303 T CB -0.151 68.672 68.868 -0.076 0.000 0.868 303 T HN 0.129 nan 8.240 nan 0.000 0.444 304 I N 0.926 121.453 120.570 -0.072 0.000 2.163 304 I HA -0.249 3.920 4.170 -0.001 0.000 0.243 304 I C 2.468 178.544 176.117 -0.068 0.000 1.085 304 I CA 1.553 62.817 61.300 -0.060 0.000 1.347 304 I CB -0.317 37.670 38.000 -0.021 0.000 1.044 304 I HN 0.212 nan 8.210 nan 0.000 0.408 305 K N 0.529 120.901 120.400 -0.046 0.000 2.097 305 K HA -0.170 4.149 4.320 -0.001 0.000 0.205 305 K C 2.047 178.595 176.600 -0.087 0.000 1.050 305 K CA 1.211 57.474 56.287 -0.041 0.000 0.938 305 K CB -0.123 32.370 32.500 -0.012 0.000 0.718 305 K HN 0.243 nan 8.250 nan 0.000 0.442 306 E N 0.365 120.504 120.200 -0.102 0.000 2.077 306 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 306 E C 1.712 178.179 176.600 -0.223 0.000 0.989 306 E CA 0.832 57.158 56.400 -0.123 0.000 0.800 306 E CB 0.059 29.700 29.700 -0.098 0.000 0.746 306 E HN 0.031 nan 8.360 nan 0.000 0.452 307 L N 0.432 121.467 121.223 -0.314 0.000 2.046 307 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 307 L C 2.239 178.536 176.870 -0.955 0.000 1.077 307 L CA 1.888 56.330 54.840 -0.663 0.000 0.747 307 L CB -1.347 40.350 42.059 -0.603 0.000 0.896 307 L HN 0.118 nan 8.230 nan 0.000 0.432 308 A N -0.567 121.967 122.820 -0.476 0.000 1.865 308 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 308 A C 2.478 179.977 177.584 -0.143 0.000 1.191 308 A CA 1.805 53.694 52.037 -0.247 0.000 0.623 308 A CB -0.475 18.495 19.000 -0.049 0.000 0.826 308 A HN 0.364 nan 8.150 nan 0.000 0.444 309 R N -1.273 119.155 120.500 -0.119 0.000 2.081 309 R HA -0.097 4.242 4.340 -0.001 0.000 0.235 309 R C 2.158 178.432 176.300 -0.044 0.000 1.131 309 R CA 1.430 57.498 56.100 -0.053 0.000 0.960 309 R CB -0.525 29.746 30.300 -0.048 0.000 0.856 309 R HN 0.508 nan 8.270 nan 0.000 0.436 310 L N 0.121 121.280 121.223 -0.107 0.000 2.046 310 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 310 L C 1.735 178.672 176.870 0.111 0.000 1.077 310 L CA 1.709 56.529 54.840 -0.033 0.000 0.747 310 L CB -0.343 41.675 42.059 -0.068 0.000 0.896 310 L HN -0.006 nan 8.230 nan 0.000 0.432 311 F N 0.041 120.000 119.950 0.015 0.000 2.216 311 F HA -0.110 4.416 4.527 -0.001 0.000 0.300 311 F C 2.585 178.394 175.800 0.015 0.000 1.085 311 F CA 1.263 59.274 58.000 0.019 0.000 1.326 311 F CB -1.116 37.911 39.000 0.046 0.000 1.027 311 F HN 0.270 nan 8.300 nan 0.000 0.497 312 E N 0.308 120.623 120.200 0.191 0.000 2.216 312 E HA -0.102 4.248 4.350 -0.001 0.000 0.192 312 E C 2.008 178.650 176.600 0.071 0.000 0.988 312 E CA 1.184 57.654 56.400 0.116 0.000 0.834 312 E CB -0.167 29.591 29.700 0.097 0.000 0.772 312 E HN 0.216 nan 8.360 nan 0.000 0.479 313 S N -1.297 114.442 115.700 0.065 0.000 2.524 313 S HA 0.238 4.708 4.470 -0.001 0.000 0.215 313 S C 0.506 175.129 174.600 0.038 0.000 0.986 313 S CA -0.529 57.694 58.200 0.040 0.000 0.911 313 S CB 0.312 63.528 63.200 0.028 0.000 0.805 313 S HN -0.139 nan 8.310 nan 0.000 0.501 314 K N 1.467 121.900 120.400 0.055 0.000 2.350 314 K HA 0.476 4.796 4.320 -0.001 0.000 0.241 314 K C -0.781 175.835 176.600 0.026 0.000 0.994 314 K CA -0.955 55.356 56.287 0.040 0.000 0.839 314 K CB 1.129 33.661 32.500 0.054 0.000 1.244 314 K HN 0.109 nan 8.250 nan 0.000 0.443 315 R N 0.700 121.203 120.500 0.004 0.000 2.291 315 R HA 0.177 4.516 4.340 -0.001 0.000 0.333 315 R C -0.909 175.370 176.300 -0.035 0.000 1.082 315 R CA 0.491 56.580 56.100 -0.019 0.000 0.948 315 R CB -0.472 29.813 30.300 -0.025 0.000 1.009 315 R HN 0.441 nan 8.270 nan 0.000 0.460 316 T N 5.530 120.054 114.554 -0.050 0.000 2.797 316 T HA 0.393 4.742 4.350 -0.001 0.000 0.279 316 T C -0.733 173.883 174.700 -0.140 0.000 0.991 316 T CA -0.584 61.455 62.100 -0.102 0.000 0.979 316 T CB 1.135 69.941 68.868 -0.104 0.000 0.943 316 T HN 0.504 nan 8.240 nan 0.000 0.444 317 M N 4.310 123.799 119.600 -0.185 0.000 2.227 317 M HA 0.503 4.982 4.480 -0.001 0.000 0.335 317 M C -1.713 174.465 176.300 -0.203 0.000 1.053 317 M CA -1.072 54.123 55.300 -0.174 0.000 0.973 317 M CB 0.336 32.804 32.600 -0.220 0.000 1.623 317 M HN 0.474 nan 8.290 nan 0.000 0.434 318 L N 5.450 126.626 121.223 -0.078 0.000 2.270 318 L HA 0.652 4.991 4.340 -0.001 0.000 0.286 318 L C -0.123 176.816 176.870 0.115 0.000 1.059 318 L CA -0.682 54.152 54.840 -0.010 0.000 0.839 318 L CB 0.629 42.721 42.059 0.055 0.000 1.221 318 L HN 0.894 nan 8.230 nan 0.000 0.431 319 A N 3.392 126.242 122.820 0.049 0.000 2.260 319 A HA 0.782 5.101 4.320 -0.001 0.000 0.312 319 A C 0.114 177.883 177.584 0.308 0.000 1.321 319 A CA -0.301 51.869 52.037 0.221 0.000 0.928 319 A CB 0.618 19.681 19.000 0.104 0.000 1.158 319 A HN 0.698 nan 8.150 nan 0.000 0.542 320 A N 2.512 125.533 122.820 0.335 0.000 2.337 320 A HA 0.813 5.132 4.320 -0.001 0.000 0.329 320 A C 0.595 178.260 177.584 0.136 0.000 1.146 320 A CA 0.015 52.231 52.037 0.299 0.000 0.800 320 A CB 0.960 20.131 19.000 0.286 0.000 1.220 320 A HN 1.405 nan 8.150 nan 0.000 0.472 321 G N -0.413 108.355 108.800 -0.054 0.000 2.557 321 G HA2 0.434 4.393 3.960 -0.001 0.000 0.292 321 G HA3 0.434 4.393 3.960 -0.001 0.000 0.292 321 G C -0.027 174.875 174.900 0.003 0.000 1.237 321 G CA -0.291 44.472 45.100 -0.561 0.000 0.978 321 G HN 0.754 nan 8.290 nan 0.000 0.498 322 W N -0.326 120.967 121.300 -0.011 0.000 3.127 322 W HA 0.148 4.807 4.660 -0.001 0.000 0.344 322 W C 2.297 178.902 176.519 0.142 0.000 1.151 322 W CA 0.115 57.530 57.345 0.115 0.000 1.765 322 W CB -1.075 28.449 29.460 0.105 0.000 1.085 322 W HN 0.647 nan 8.180 nan 0.000 0.596 323 S N 1.565 117.434 115.700 0.282 0.000 2.370 323 S HA -0.288 4.181 4.470 -0.001 0.000 0.226 323 S C 1.780 176.535 174.600 0.258 0.000 1.033 323 S CA 1.784 60.136 58.200 0.254 0.000 1.011 323 S CB -0.943 62.383 63.200 0.209 0.000 0.852 323 S HN 0.376 nan 8.310 nan 0.000 0.457 324 M N 0.689 120.442 119.600 0.255 0.000 2.630 324 M HA 0.095 4.574 4.480 -0.001 0.000 0.254 324 M C 1.418 177.850 176.300 0.220 0.000 1.092 324 M CA 1.294 56.721 55.300 0.212 0.000 1.087 324 M CB -0.630 32.062 32.600 0.154 0.000 1.453 324 M HN 0.446 nan 8.290 nan 0.000 0.509 325 Q N 0.563 120.534 119.800 0.284 0.000 2.217 325 Q HA 0.227 4.566 4.340 -0.001 0.000 0.217 325 Q C 1.078 177.186 176.000 0.180 0.000 0.844 325 Q CA 0.070 56.017 55.803 0.240 0.000 0.957 325 Q CB -0.016 28.897 28.738 0.291 0.000 1.127 325 Q HN 0.575 nan 8.270 nan 0.000 0.503 326 R N 0.874 121.494 120.500 0.201 0.000 3.351 326 R HA 0.449 4.788 4.340 -0.001 0.000 0.296 326 R C -0.914 175.481 176.300 0.158 0.000 1.427 326 R CA 0.116 56.323 56.100 0.178 0.000 1.257 326 R CB -0.021 30.418 30.300 0.232 0.000 1.378 326 R HN 0.257 nan 8.270 nan 0.000 0.610 327 M N -0.962 118.723 119.600 0.142 0.000 2.578 327 M HA 0.156 4.635 4.480 -0.001 0.000 0.276 327 M C -0.839 175.537 176.300 0.128 0.000 1.245 327 M CA -0.916 54.470 55.300 0.143 0.000 0.871 327 M CB 2.242 34.946 32.600 0.172 0.000 1.722 327 M HN 0.160 nan 8.290 nan 0.000 0.473 328 H N 0.956 120.003 119.070 -0.038 0.000 3.125 328 H HA -0.031 4.524 4.556 -0.001 0.000 0.310 328 H C -0.320 174.880 175.328 -0.213 0.000 0.980 328 H CA 1.661 57.586 56.048 -0.204 0.000 1.422 328 H CB 0.190 29.798 29.762 -0.256 0.000 1.432 328 H HN 0.799 nan 8.280 nan 0.000 0.577 329 H N 0.761 119.778 119.070 -0.088 0.000 2.992 329 H HA -0.171 4.384 4.556 -0.001 0.000 0.266 329 H C 1.624 176.945 175.328 -0.012 0.000 1.200 329 H CA 0.250 56.214 56.048 -0.141 0.000 1.135 329 H CB -1.352 28.235 29.762 -0.291 0.000 1.282 329 H HN 0.891 nan 8.280 nan 0.000 0.351 330 G N 0.396 109.264 108.800 0.113 0.000 2.501 330 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.220 330 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.220 330 G C 1.321 176.309 174.900 0.147 0.000 1.114 330 G CA 1.196 46.377 45.100 0.134 0.000 0.757 330 G HN 0.484 nan 8.290 nan 0.000 0.559 331 E N 0.462 120.744 120.200 0.137 0.000 2.204 331 E HA -0.083 4.266 4.350 -0.001 0.000 0.194 331 E C 2.637 179.373 176.600 0.227 0.000 0.989 331 E CA 0.821 57.311 56.400 0.151 0.000 0.824 331 E CB -0.048 29.725 29.700 0.122 0.000 0.756 331 E HN 0.366 nan 8.360 nan 0.000 0.477 332 Q N -0.000 119.918 119.800 0.197 0.000 2.172 332 Q HA 0.018 4.358 4.340 -0.001 0.000 0.200 332 Q C 2.215 178.286 176.000 0.118 0.000 0.964 332 Q CA 1.215 57.125 55.803 0.178 0.000 0.855 332 Q CB -0.350 28.442 28.738 0.089 0.000 0.918 332 Q HN 0.326 nan 8.270 nan 0.000 0.444 333 A N 1.014 123.874 122.820 0.066 0.000 1.865 333 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 333 A C 1.690 179.098 177.584 -0.294 0.000 1.191 333 A CA 1.893 53.857 52.037 -0.122 0.000 0.623 333 A CB -0.829 18.063 19.000 -0.180 0.000 0.826 333 A HN 0.419 nan 8.150 nan 0.000 0.444 334 H N -3.579 115.496 119.070 0.009 0.000 2.470 334 H HA -0.059 4.496 4.556 -0.001 0.000 0.289 334 H C 1.628 176.955 175.328 -0.002 0.000 1.033 334 H CA 1.169 57.192 56.048 -0.040 0.000 1.331 334 H CB -0.093 29.657 29.762 -0.020 0.000 1.414 334 H HN 0.720 nan 8.280 nan 0.000 0.545 335 W N 1.058 122.320 121.300 -0.063 0.000 2.381 335 W HA -0.158 4.501 4.660 -0.002 0.000 0.301 335 W C 2.131 178.558 176.519 -0.154 0.000 1.205 335 W CA 1.167 58.449 57.345 -0.106 0.000 1.285 335 W CB -0.581 28.835 29.460 -0.072 0.000 1.133 335 W HN 0.181 nan 8.180 nan 0.000 0.521 336 M N 0.131 119.724 119.600 -0.012 0.000 2.229 336 M HA -0.113 4.366 4.480 -0.001 0.000 0.264 336 M C 2.092 178.295 176.300 -0.162 0.000 1.063 336 M CA 1.552 56.776 55.300 -0.127 0.000 1.114 336 M CB -1.131 31.435 32.600 -0.056 0.000 1.387 336 M HN 0.023 nan 8.290 nan 0.000 0.420 337 L N -0.846 120.233 121.223 -0.240 0.000 2.083 337 L HA -0.110 4.230 4.340 -0.001 0.000 0.209 337 L C 1.972 178.657 176.870 -0.310 0.000 1.083 337 L CA 1.343 55.982 54.840 -0.334 0.000 0.752 337 L CB -0.427 41.367 42.059 -0.442 0.000 0.899 337 L HN 0.163 nan 8.230 nan 0.000 0.433 338 V N -1.077 118.634 119.914 -0.339 0.000 2.548 338 V HA -0.217 3.902 4.120 -0.001 0.000 0.249 338 V C 2.414 178.415 176.094 -0.155 0.000 1.055 338 V CA 1.993 64.043 62.300 -0.418 0.000 1.065 338 V CB -0.739 30.855 31.823 -0.381 0.000 0.681 338 V HN 0.513 nan 8.190 nan 0.000 0.462 339 T N 0.604 115.095 114.554 -0.105 0.000 2.737 339 T HA -0.163 4.186 4.350 -0.001 0.000 0.265 339 T C 1.912 176.596 174.700 -0.027 0.000 1.038 339 T CA 1.777 63.823 62.100 -0.090 0.000 1.144 339 T CB -0.305 68.391 68.868 -0.287 0.000 0.866 339 T HN 0.310 nan 8.240 nan 0.000 0.434 340 L N 1.569 122.775 121.223 -0.027 0.000 2.012 340 L HA 0.029 4.368 4.340 -0.001 0.000 0.210 340 L C 2.597 179.485 176.870 0.031 0.000 1.073 340 L CA 2.006 56.872 54.840 0.043 0.000 0.748 340 L CB -0.993 41.099 42.059 0.055 0.000 0.891 340 L HN 0.225 nan 8.230 nan 0.000 0.431 341 A N -1.592 121.212 122.820 -0.026 0.000 1.972 341 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 341 A C 2.374 179.919 177.584 -0.065 0.000 1.169 341 A CA 1.914 53.941 52.037 -0.017 0.000 0.635 341 A CB -0.867 18.158 19.000 0.041 0.000 0.810 341 A HN 0.554 nan 8.150 nan 0.000 0.446 342 S N -0.347 115.342 115.700 -0.018 0.000 2.348 342 S HA -0.167 4.303 4.470 -0.001 0.000 0.221 342 S C 2.043 176.661 174.600 0.030 0.000 1.033 342 S CA 1.745 59.971 58.200 0.043 0.000 1.010 342 S CB -0.423 62.904 63.200 0.212 0.000 0.891 342 S HN 0.596 nan 8.310 nan 0.000 0.442 343 M N 0.978 120.604 119.600 0.043 0.000 2.082 343 M HA -0.141 4.339 4.480 -0.001 0.000 0.258 343 M C 1.956 178.312 176.300 0.094 0.000 1.069 343 M CA 1.501 56.847 55.300 0.077 0.000 1.102 343 M CB -0.791 31.849 32.600 0.067 0.000 1.336 343 M HN 0.262 nan 8.290 nan 0.000 0.404 344 L N -0.356 120.889 121.223 0.037 0.000 2.265 344 L HA -0.061 4.278 4.340 -0.001 0.000 0.215 344 L C 1.389 178.204 176.870 -0.093 0.000 1.117 344 L CA 0.667 55.517 54.840 0.018 0.000 0.782 344 L CB -1.223 40.853 42.059 0.029 0.000 0.914 344 L HN 0.659 nan 8.230 nan 0.000 0.441 345 G N 0.485 109.122 108.800 -0.273 0.000 2.305 345 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.287 345 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.287 345 G C 0.503 175.080 174.900 -0.539 0.000 1.036 345 G CA 0.517 45.262 45.100 -0.591 0.000 0.887 345 G HN 0.560 nan 8.290 nan 0.000 0.505 346 Q N -1.166 118.375 119.800 -0.431 0.000 2.194 346 Q HA 0.345 4.684 4.340 -0.001 0.000 0.214 346 Q C 1.207 177.046 176.000 -0.269 0.000 0.838 346 Q CA -0.418 55.223 55.803 -0.271 0.000 0.972 346 Q CB 0.915 29.563 28.738 -0.150 0.000 1.131 346 Q HN 0.704 nan 8.270 nan 0.000 0.498 347 I N 1.239 121.569 120.570 -0.400 0.000 2.741 347 I HA -0.093 4.076 4.170 -0.001 0.000 0.288 347 I C 1.226 177.282 176.117 -0.101 0.000 1.192 347 I CA 1.169 62.327 61.300 -0.237 0.000 1.426 347 I CB 0.293 38.169 38.000 -0.206 0.000 1.367 347 I HN 0.489 nan 8.210 nan 0.000 0.563 348 G N 5.249 114.038 108.800 -0.019 0.000 2.195 348 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.246 348 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.246 348 G C 0.121 174.997 174.900 -0.040 0.000 0.984 348 G CA -0.454 44.666 45.100 0.034 0.000 0.633 348 G HN 0.463 nan 8.290 nan 0.000 0.525 349 L N 1.839 123.018 121.223 -0.073 0.000 2.357 349 L HA 0.447 4.787 4.340 -0.001 0.000 0.273 349 L C -1.755 175.069 176.870 -0.076 0.000 1.080 349 L CA -2.279 52.519 54.840 -0.069 0.000 0.803 349 L CB 0.928 42.944 42.059 -0.072 0.000 1.174 349 L HN -0.121 nan 8.230 nan 0.000 0.443 350 P HA 0.032 nan 4.420 nan 0.000 0.262 350 P C 0.755 178.023 177.300 -0.054 0.000 1.199 350 P CA 0.588 63.651 63.100 -0.061 0.000 0.763 350 P CB 0.648 32.325 31.700 -0.039 0.000 0.790 351 G N 2.100 110.863 108.800 -0.061 0.000 2.179 351 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.260 351 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.260 351 G C 0.427 175.279 174.900 -0.080 0.000 0.977 351 G CA -0.094 44.968 45.100 -0.063 0.000 0.641 351 G HN 0.919 nan 8.290 nan 0.000 0.533 352 G N -2.210 106.540 108.800 -0.084 0.000 2.685 352 G HA2 0.910 4.870 3.960 -0.001 0.000 0.298 352 G HA3 0.910 4.870 3.960 -0.001 0.000 0.298 352 G C 0.758 175.600 174.900 -0.096 0.000 1.277 352 G CA 0.944 45.990 45.100 -0.090 0.000 0.986 352 G HN 1.876 nan 8.290 nan 0.000 0.487 353 G N -0.897 107.854 108.800 -0.081 0.000 2.826 353 G HA2 0.403 4.363 3.960 -0.001 0.000 0.233 353 G HA3 0.403 4.363 3.960 -0.001 0.000 0.233 353 G C -0.218 174.739 174.900 0.095 0.000 1.296 353 G CA 0.561 45.636 45.100 -0.041 0.000 1.001 353 G HN 2.211 nan 8.290 nan 0.000 0.576 354 F N -1.094 118.852 119.950 -0.005 0.000 2.713 354 F HA 0.807 5.333 4.527 -0.001 0.000 0.311 354 F C -0.083 175.787 175.800 0.117 0.000 1.141 354 F CA -0.263 57.762 58.000 0.042 0.000 0.939 354 F CB 1.391 40.406 39.000 0.025 0.000 1.325 354 F HN 1.604 nan 8.300 nan 0.000 0.453 355 G N 1.081 110.077 108.800 0.327 0.000 2.753 355 G HA2 0.536 4.495 3.960 -0.001 0.000 0.297 355 G HA3 0.536 4.495 3.960 -0.001 0.000 0.297 355 G C -1.287 173.803 174.900 0.316 0.000 1.430 355 G CA -0.930 44.263 45.100 0.155 0.000 1.040 355 G HN 0.876 nan 8.290 nan 0.000 0.530 356 L N 0.958 122.342 121.223 0.268 0.000 2.857 356 L HA 0.335 4.674 4.340 -0.001 0.000 0.249 356 L C 1.382 178.536 176.870 0.474 0.000 1.172 356 L CA 0.116 55.206 54.840 0.418 0.000 0.980 356 L CB 1.153 43.458 42.059 0.411 0.000 1.299 356 L HN 0.525 nan 8.230 nan 0.000 0.535 357 S N -1.523 114.281 115.700 0.173 0.000 3.073 357 S HA 0.207 4.676 4.470 -0.001 0.000 0.252 357 S C 0.638 175.189 174.600 -0.082 0.000 0.953 357 S CA -0.372 57.883 58.200 0.092 0.000 1.105 357 S CB 0.109 63.433 63.200 0.207 0.000 1.070 357 S HN 0.268 nan 8.310 nan 0.000 0.574 358 Y N 1.498 121.886 120.300 0.147 0.000 2.561 358 Y HA 0.100 4.649 4.550 -0.001 0.000 0.291 358 Y C 2.287 178.343 175.900 0.259 0.000 1.141 358 Y CA 1.136 59.327 58.100 0.152 0.000 1.303 358 Y CB -0.051 38.504 38.460 0.159 0.000 1.015 358 Y HN 0.646 nan 8.280 nan 0.000 0.547 359 H N -3.217 115.968 119.070 0.193 0.000 2.586 359 H HA 0.132 4.688 4.556 -0.001 0.000 0.273 359 H C -0.696 174.675 175.328 0.071 0.000 0.997 359 H CA -0.091 56.000 56.048 0.072 0.000 1.177 359 H CB -0.396 29.331 29.762 -0.059 0.000 1.471 359 H HN 0.307 nan 8.280 nan 0.000 0.538 360 Y N 1.203 121.169 120.300 -0.557 0.000 2.406 360 Y HA 0.402 4.952 4.550 -0.001 0.000 0.340 360 Y C 0.209 176.172 175.900 0.106 0.000 0.975 360 Y CA -0.626 57.302 58.100 -0.287 0.000 1.056 360 Y CB 1.650 39.768 38.460 -0.569 0.000 1.210 360 Y HN 0.146 nan 8.280 nan 0.000 0.448 361 S N 3.895 119.335 115.700 -0.432 0.000 3.521 361 S HA -0.217 4.252 4.470 -0.001 0.000 0.362 361 S C 1.054 175.726 174.600 0.121 0.000 1.044 361 S CA 1.615 59.658 58.200 -0.263 0.000 1.091 361 S CB -1.816 61.045 63.200 -0.565 0.000 0.908 361 S HN 2.141 nan 8.310 nan 0.000 0.473 362 G N -0.434 108.471 108.800 0.175 0.000 2.159 362 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.256 362 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.256 362 G C 0.447 175.529 174.900 0.303 0.000 0.977 362 G CA 0.162 45.427 45.100 0.275 0.000 0.652 362 G HN 1.725 nan 8.290 nan 0.000 0.531 363 G N -0.772 108.113 108.800 0.142 0.000 2.178 363 G HA2 0.455 4.414 3.960 -0.001 0.000 0.244 363 G HA3 0.455 4.414 3.960 -0.001 0.000 0.244 363 G C 1.523 176.276 174.900 -0.244 0.000 1.213 363 G CA 1.744 46.581 45.100 -0.439 0.000 0.912 363 G HN 1.967 nan 8.290 nan 0.000 0.474 364 G N 1.618 110.234 108.800 -0.306 0.000 2.232 364 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.226 364 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.226 364 G C 0.625 175.608 174.900 0.139 0.000 0.996 364 G CA 0.336 45.288 45.100 -0.246 0.000 0.626 364 G HN 1.135 nan 8.290 nan 0.000 0.509 365 T N 4.255 118.992 114.554 0.305 0.000 2.817 365 T HA 0.455 4.804 4.350 -0.001 0.000 0.295 365 T C -2.130 172.707 174.700 0.229 0.000 0.958 365 T CA -0.245 62.070 62.100 0.358 0.000 1.157 365 T CB 1.295 70.351 68.868 0.313 0.000 0.898 365 T HN 0.136 nan 8.240 nan 0.000 0.536 366 P HA 0.051 nan 4.420 nan 0.000 0.260 366 P C -0.308 177.076 177.300 0.140 0.000 1.172 366 P CA 0.147 63.346 63.100 0.166 0.000 0.760 366 P CB 0.289 32.089 31.700 0.166 0.000 0.773 367 S N 1.561 117.317 115.700 0.094 0.000 2.592 367 S HA 0.335 4.804 4.470 -0.001 0.000 0.271 367 S C 0.898 175.550 174.600 0.085 0.000 1.326 367 S CA -0.375 57.874 58.200 0.082 0.000 1.024 367 S CB 0.228 63.434 63.200 0.011 0.000 0.921 367 S HN 0.588 nan 8.310 nan 0.000 0.527 368 T N -0.880 113.739 114.554 0.108 0.000 2.833 368 T HA 0.372 4.721 4.350 -0.001 0.000 0.292 368 T C 0.891 175.615 174.700 0.040 0.000 1.031 368 T CA -0.214 61.954 62.100 0.113 0.000 0.937 368 T CB 0.657 69.653 68.868 0.213 0.000 1.256 368 T HN 0.523 nan 8.240 nan 0.000 0.551 369 S N -1.410 114.294 115.700 0.008 0.000 2.601 369 S HA 0.435 4.905 4.470 -0.001 0.000 0.244 369 S C 0.890 175.367 174.600 -0.204 0.000 1.001 369 S CA -0.475 57.685 58.200 -0.066 0.000 0.984 369 S CB -0.611 62.568 63.200 -0.035 0.000 0.842 369 S HN 1.092 nan 8.310 nan 0.000 0.474 370 G N 2.644 111.232 108.800 -0.353 0.000 2.599 370 G HA2 0.537 4.497 3.960 -0.001 0.000 0.264 370 G HA3 0.537 4.497 3.960 -0.001 0.000 0.264 370 G C -2.527 172.034 174.900 -0.564 0.000 1.200 370 G CA -1.398 43.122 45.100 -0.966 0.000 0.896 370 G HN 0.374 nan 8.290 nan 0.000 0.536 371 P HA 0.437 nan 4.420 nan 0.000 0.278 371 P C -0.570 176.631 177.300 -0.166 0.000 1.258 371 P CA -0.294 62.630 63.100 -0.293 0.000 0.811 371 P CB 1.333 32.871 31.700 -0.269 0.000 1.063 372 A N 1.401 124.159 122.820 -0.103 0.000 2.327 372 A HA 0.453 4.772 4.320 -0.001 0.000 0.283 372 A C -0.398 177.160 177.584 -0.043 0.000 1.127 372 A CA -0.459 51.546 52.037 -0.053 0.000 0.810 372 A CB -0.206 18.760 19.000 -0.056 0.000 1.066 372 A HN 0.554 nan 8.150 nan 0.000 0.492 373 L N 2.161 123.373 121.223 -0.020 0.000 2.312 373 L HA 0.728 5.067 4.340 -0.001 0.000 0.281 373 L C 0.270 177.098 176.870 -0.070 0.000 1.070 373 L CA 0.244 55.071 54.840 -0.021 0.000 0.805 373 L CB 1.147 43.216 42.059 0.015 0.000 1.174 373 L HN 0.870 nan 8.230 nan 0.000 0.434 374 A N 2.960 125.718 122.820 -0.102 0.000 2.384 374 A HA 0.950 5.269 4.320 -0.001 0.000 0.312 374 A C -0.270 177.014 177.584 -0.500 0.000 1.113 374 A CA 0.030 51.950 52.037 -0.195 0.000 0.779 374 A CB 1.387 20.320 19.000 -0.110 0.000 1.307 374 A HN 0.922 nan 8.150 nan 0.000 0.436 375 G N -0.668 107.695 108.800 -0.729 0.000 3.176 375 G HA2 0.541 4.500 3.960 -0.001 0.000 0.272 375 G HA3 0.541 4.500 3.960 -0.001 0.000 0.272 375 G C -0.383 173.989 174.900 -0.880 0.000 1.349 375 G CA -0.816 43.408 45.100 -1.460 0.000 0.953 375 G HN 0.895 nan 8.290 nan 0.000 0.559 376 I N 0.744 120.892 120.570 -0.703 0.000 3.003 376 I HA 0.245 4.415 4.170 -0.001 0.000 0.294 376 I C 1.175 177.125 176.117 -0.278 0.000 1.237 376 I CA 0.431 61.521 61.300 -0.349 0.000 1.417 376 I CB 0.988 38.678 38.000 -0.517 0.000 1.340 376 I HN 0.701 nan 8.210 nan 0.000 0.594 377 T N 1.125 115.559 114.554 -0.200 0.000 2.927 377 T HA 0.345 4.694 4.350 -0.001 0.000 0.286 377 T C 0.166 174.765 174.700 -0.167 0.000 1.040 377 T CA -0.270 61.739 62.100 -0.151 0.000 1.010 377 T CB 1.475 70.295 68.868 -0.081 0.000 1.177 377 T HN 0.639 nan 8.240 nan 0.000 0.546 378 D N -1.576 118.749 120.400 -0.126 0.000 2.340 378 D HA 0.293 4.932 4.640 -0.001 0.000 0.220 378 D C 1.693 177.945 176.300 -0.080 0.000 1.039 378 D CA 0.481 54.406 54.000 -0.126 0.000 0.866 378 D CB -0.537 40.200 40.800 -0.105 0.000 0.913 378 D HN 1.124 nan 8.370 nan 0.000 0.523 379 G N -0.301 108.462 108.800 -0.061 0.000 2.377 379 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.250 379 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.250 379 G C 0.887 175.781 174.900 -0.011 0.000 1.039 379 G CA 0.285 45.367 45.100 -0.029 0.000 0.625 379 G HN 0.826 nan 8.290 nan 0.000 0.526 395 S N 0.028 115.754 115.700 0.043 0.000 2.524 395 S HA 0.391 4.861 4.470 -0.001 0.000 0.216 395 S C 0.315 174.931 174.600 0.026 0.000 0.987 395 S CA 0.665 58.869 58.200 0.006 0.000 0.909 395 S CB 0.014 63.180 63.200 -0.057 0.000 0.781 395 S HN 1.246 nan 8.310 nan 0.000 0.521 396 V N 2.850 122.802 119.914 0.064 0.000 2.638 396 V HA 0.625 4.744 4.120 -0.001 0.000 0.306 396 V C -0.568 175.581 176.094 0.092 0.000 1.052 396 V CA -1.045 61.296 62.300 0.068 0.000 0.885 396 V CB 1.616 33.458 31.823 0.032 0.000 0.999 396 V HN 0.535 nan 8.190 nan 0.000 0.424 397 I N 2.325 122.929 120.570 0.055 0.000 2.689 397 I HA 0.745 4.914 4.170 -0.001 0.000 0.299 397 I C -2.799 173.208 176.117 -0.184 0.000 1.059 397 I CA -2.845 58.408 61.300 -0.078 0.000 1.055 397 I CB 2.402 40.361 38.000 -0.069 0.000 1.243 397 I HN 0.337 nan 8.210 nan 0.000 0.425 398 P HA -0.034 nan 4.420 nan 0.000 0.261 398 P C 1.287 178.449 177.300 -0.231 0.000 1.183 398 P CA -0.239 62.607 63.100 -0.422 0.000 0.761 398 P CB 0.767 32.150 31.700 -0.528 0.000 0.785 399 V N 2.312 122.123 119.914 -0.172 0.000 2.317 399 V HA -0.308 3.812 4.120 -0.001 0.000 0.251 399 V C 1.860 177.862 176.094 -0.153 0.000 1.065 399 V CA 2.238 64.481 62.300 -0.094 0.000 1.049 399 V CB -2.169 29.571 31.823 -0.138 0.000 0.651 399 V HN 0.502 nan 8.190 nan 0.000 0.450 400 A N -0.209 122.406 122.820 -0.341 0.000 2.235 400 A HA 0.127 4.446 4.320 -0.001 0.000 0.208 400 A C 1.949 179.522 177.584 -0.018 0.000 1.172 400 A CA 0.365 52.297 52.037 -0.176 0.000 0.786 400 A CB -0.463 18.322 19.000 -0.358 0.000 0.804 400 A HN 0.545 nan 8.150 nan 0.000 0.479 401 R N -0.671 119.760 120.500 -0.115 0.000 2.356 401 R HA 0.090 4.430 4.340 -0.001 0.000 0.234 401 R C 1.478 177.628 176.300 -0.250 0.000 0.929 401 R CA 0.357 56.377 56.100 -0.134 0.000 1.084 401 R CB -0.686 29.544 30.300 -0.116 0.000 1.105 401 R HN 0.380 nan 8.270 nan 0.000 0.515 402 V N 0.617 120.377 119.914 -0.257 0.000 2.324 402 V HA -0.257 3.862 4.120 -0.001 0.000 0.250 402 V C 2.043 177.900 176.094 -0.394 0.000 1.060 402 V CA 1.871 63.933 62.300 -0.395 0.000 1.042 402 V CB -0.008 31.626 31.823 -0.315 0.000 0.650 402 V HN 0.079 nan 8.190 nan 0.000 0.450 403 V N 0.091 119.832 119.914 -0.288 0.000 2.379 403 V HA -0.162 3.958 4.120 -0.001 0.000 0.245 403 V C 2.321 178.245 176.094 -0.284 0.000 1.044 403 V CA 2.171 64.353 62.300 -0.197 0.000 1.036 403 V CB -0.751 31.053 31.823 -0.032 0.000 0.664 403 V HN 0.585 nan 8.190 nan 0.000 0.453 404 D N -0.297 119.908 120.400 -0.325 0.000 2.158 404 D HA -0.251 4.388 4.640 -0.001 0.000 0.197 404 D C 2.024 177.776 176.300 -0.913 0.000 0.995 404 D CA 1.741 55.463 54.000 -0.464 0.000 0.846 404 D CB -0.244 40.345 40.800 -0.351 0.000 0.941 404 D HN 0.429 nan 8.370 nan 0.000 0.456 405 M N 0.194 119.088 119.600 -1.177 0.000 2.086 405 M HA -0.154 4.326 4.480 -0.001 0.000 0.261 405 M C 1.985 177.917 176.300 -0.612 0.000 1.067 405 M CA 1.291 55.829 55.300 -1.270 0.000 1.116 405 M CB -0.008 32.144 32.600 -0.747 0.000 1.348 405 M HN -0.041 nan 8.290 nan 0.000 0.407 406 L N -0.212 120.728 121.223 -0.472 0.000 2.083 406 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 406 L C 2.112 178.831 176.870 -0.253 0.000 1.083 406 L CA 1.383 56.020 54.840 -0.338 0.000 0.752 406 L CB -0.777 41.080 42.059 -0.337 0.000 0.899 406 L HN 0.382 nan 8.230 nan 0.000 0.433 407 E N -0.081 119.968 120.200 -0.252 0.000 2.285 407 E HA -0.019 4.331 4.350 -0.001 0.000 0.194 407 E C 0.200 176.717 176.600 -0.138 0.000 0.997 407 E CA 0.387 56.688 56.400 -0.165 0.000 0.845 407 E CB 0.228 29.846 29.700 -0.135 0.000 0.782 407 E HN 0.461 nan 8.360 nan 0.000 0.491 408 N N 1.365 119.954 118.700 -0.185 0.000 2.672 408 N HA 0.152 4.891 4.740 -0.001 0.000 0.295 408 N C -2.784 172.739 175.510 0.022 0.000 1.924 408 N CA -0.949 52.063 53.050 -0.062 0.000 0.851 408 N CB 1.259 39.751 38.487 0.009 0.000 1.281 408 N HN 0.030 nan 8.380 nan 0.000 0.494 409 P HA 0.068 nan 4.420 nan 0.000 0.264 409 P C 1.090 178.454 177.300 0.106 0.000 1.193 409 P CA 1.034 64.167 63.100 0.055 0.000 0.763 409 P CB 0.769 32.467 31.700 -0.005 0.000 0.810 410 G N 1.962 110.855 108.800 0.156 0.000 2.253 410 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.251 410 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.251 410 G C 0.446 175.431 174.900 0.143 0.000 0.998 410 G CA 0.164 45.339 45.100 0.124 0.000 0.621 410 G HN 0.885 nan 8.290 nan 0.000 0.524 411 A N 0.221 123.170 122.820 0.215 0.000 2.366 411 A HA 0.628 4.947 4.320 -0.001 0.000 0.249 411 A C 0.406 178.093 177.584 0.171 0.000 1.084 411 A CA 0.378 52.536 52.037 0.203 0.000 0.794 411 A CB 0.328 19.481 19.000 0.254 0.000 1.034 411 A HN 0.495 nan 8.150 nan 0.000 0.491 412 E N -0.649 119.598 120.200 0.078 0.000 2.319 412 E HA 0.537 4.886 4.350 -0.001 0.000 0.268 412 E C -1.122 175.475 176.600 -0.005 0.000 1.050 412 E CA -0.010 56.362 56.400 -0.047 0.000 0.878 412 E CB 1.028 30.692 29.700 -0.060 0.000 1.066 412 E HN 0.525 nan 8.360 nan 0.000 0.406 413 F N -0.789 119.012 119.950 -0.248 0.000 2.601 413 F HA 0.452 4.978 4.527 -0.001 0.000 0.309 413 F C -0.826 174.910 175.800 -0.108 0.000 1.089 413 F CA -1.253 56.622 58.000 -0.209 0.000 0.940 413 F CB 1.111 39.854 39.000 -0.428 0.000 1.273 413 F HN 0.124 nan 8.300 nan 0.000 0.450 414 D N 2.072 122.485 120.400 0.021 0.000 2.264 414 D HA 0.389 5.028 4.640 -0.001 0.000 0.249 414 D C -1.534 174.881 176.300 0.192 0.000 1.070 414 D CA 0.294 54.296 54.000 0.002 0.000 0.912 414 D CB 2.283 43.037 40.800 -0.077 0.000 1.193 414 D HN 0.605 nan 8.370 nan 0.000 0.427 415 F N 2.414 122.367 119.950 0.004 0.000 3.055 415 F HA 0.127 4.653 4.527 -0.001 0.000 0.358 415 F C -0.167 175.685 175.800 0.085 0.000 1.262 415 F CA -0.810 57.233 58.000 0.071 0.000 1.172 415 F CB 0.342 39.447 39.000 0.175 0.000 1.503 415 F HN 0.223 nan 8.300 nan 0.000 0.621 416 N N 4.187 122.575 118.700 -0.520 0.000 2.725 416 N HA -0.159 4.580 4.740 -0.001 0.000 0.251 416 N C 0.877 176.308 175.510 -0.132 0.000 1.031 416 N CA 2.197 55.009 53.050 -0.397 0.000 0.720 416 N CB -0.966 37.044 38.487 -0.794 0.000 0.930 416 N HN 1.797 nan 8.380 nan 0.000 0.543 417 G N -2.660 106.165 108.800 0.041 0.000 2.213 417 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.236 417 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.236 417 G C 0.233 175.120 174.900 -0.021 0.000 0.991 417 G CA 1.121 46.195 45.100 -0.043 0.000 0.629 417 G HN 1.455 nan 8.290 nan 0.000 0.517 418 T N -2.015 112.535 114.554 -0.008 0.000 2.949 418 T HA 0.796 5.145 4.350 -0.001 0.000 0.287 418 T C -0.274 174.382 174.700 -0.072 0.000 1.034 418 T CA -0.737 61.341 62.100 -0.036 0.000 1.018 418 T CB 2.510 71.356 68.868 -0.037 0.000 1.135 418 T HN 0.341 nan 8.240 nan 0.000 0.532 419 R N 0.821 121.233 120.500 -0.146 0.000 2.561 419 R HA 0.705 5.044 4.340 -0.001 0.000 0.297 419 R C -0.901 175.175 176.300 -0.374 0.000 0.969 419 R CA -0.624 55.319 56.100 -0.261 0.000 0.879 419 R CB 2.305 32.508 30.300 -0.160 0.000 1.178 419 R HN 0.960 nan 8.270 nan 0.000 0.445 420 S N 1.697 116.982 115.700 -0.692 0.000 2.720 420 S HA 0.560 5.029 4.470 -0.001 0.000 0.287 420 S C -1.135 173.121 174.600 -0.573 0.000 1.168 420 S CA -1.152 56.705 58.200 -0.571 0.000 0.832 420 S CB 2.114 65.016 63.200 -0.497 0.000 1.166 420 S HN 0.370 nan 8.310 nan 0.000 0.493 421 K N -0.035 120.228 120.400 -0.228 0.000 2.259 421 K HA 0.591 4.910 4.320 -0.001 0.000 0.249 421 K C -1.487 175.199 176.600 0.142 0.000 0.942 421 K CA -0.520 55.741 56.287 -0.043 0.000 0.816 421 K CB 0.957 33.460 32.500 0.005 0.000 1.155 421 K HN 0.379 nan 8.250 nan 0.000 0.428 422 F N 3.594 123.706 119.950 0.271 0.000 2.495 422 F HA 0.163 4.690 4.527 -0.001 0.000 0.365 422 F C -1.593 174.251 175.800 0.073 0.000 1.090 422 F CA -1.814 56.278 58.000 0.154 0.000 1.235 422 F CB 0.116 39.138 39.000 0.038 0.000 1.119 422 F HN 0.324 nan 8.300 nan 0.000 0.562 423 P HA 0.013 nan 4.420 nan 0.000 0.274 423 P C -0.733 176.617 177.300 0.083 0.000 1.237 423 P CA -0.332 62.852 63.100 0.140 0.000 0.793 423 P CB 0.817 32.593 31.700 0.127 0.000 0.977 424 D N 1.527 121.951 120.400 0.039 0.000 2.500 424 D HA 0.173 4.813 4.640 -0.001 0.000 0.219 424 D C -0.556 175.695 176.300 -0.081 0.000 1.137 424 D CA -0.393 53.592 54.000 -0.025 0.000 0.946 424 D CB -0.396 40.396 40.800 -0.013 0.000 1.022 424 D HN -0.108 nan 8.370 nan 0.000 0.518 425 V N 4.806 124.660 119.914 -0.100 0.000 2.614 425 V HA 0.156 4.275 4.120 -0.001 0.000 0.291 425 V C 1.339 177.318 176.094 -0.192 0.000 1.049 425 V CA 0.006 62.242 62.300 -0.107 0.000 1.038 425 V CB 1.570 33.338 31.823 -0.092 0.000 0.980 425 V HN 0.428 nan 8.190 nan 0.000 0.481 426 K N 3.642 123.920 120.400 -0.204 0.000 2.425 426 K HA 0.363 4.682 4.320 -0.001 0.000 0.201 426 K C -0.043 176.505 176.600 -0.087 0.000 1.128 426 K CA 0.241 56.387 56.287 -0.235 0.000 1.000 426 K CB 0.953 33.178 32.500 -0.457 0.000 0.961 426 K HN 0.678 nan 8.250 nan 0.000 0.555 427 M N 0.253 119.849 119.600 -0.008 0.000 2.446 427 M HA 0.563 5.042 4.480 -0.001 0.000 0.294 427 M C -2.048 174.343 176.300 0.151 0.000 1.158 427 M CA -0.614 54.739 55.300 0.087 0.000 0.899 427 M CB 2.538 35.231 32.600 0.154 0.000 1.687 427 M HN -0.043 nan 8.290 nan 0.000 0.455 428 A N 3.076 126.041 122.820 0.241 0.000 2.374 428 A HA 0.723 5.042 4.320 -0.001 0.000 0.305 428 A C -2.430 175.492 177.584 0.564 0.000 1.053 428 A CA -0.392 51.897 52.037 0.420 0.000 0.726 428 A CB 1.292 20.548 19.000 0.428 0.000 1.229 428 A HN 0.806 nan 8.150 nan 0.000 0.431 429 Y N 2.608 123.099 120.300 0.318 0.000 2.338 429 Y HA 0.543 5.092 4.550 -0.001 0.000 0.328 429 Y C -1.394 174.616 175.900 0.183 0.000 0.965 429 Y CA -1.671 56.563 58.100 0.222 0.000 1.208 429 Y CB 0.940 39.454 38.460 0.089 0.000 1.132 429 Y HN 0.697 nan 8.280 nan 0.000 0.469 430 W N 8.001 129.565 121.300 0.441 0.000 2.587 430 W HA 0.664 5.323 4.660 -0.001 0.000 0.324 430 W C -1.432 175.204 176.519 0.195 0.000 1.040 430 W CA -0.802 56.744 57.345 0.335 0.000 1.222 430 W CB 1.803 31.528 29.460 0.441 0.000 1.381 430 W HN 0.424 nan 8.180 nan 0.000 0.483 431 V N 1.580 121.701 119.914 0.346 0.000 2.841 431 V HA 0.875 4.995 4.120 -0.001 0.000 0.310 431 V C 0.362 176.630 176.094 0.291 0.000 1.090 431 V CA -0.326 62.122 62.300 0.248 0.000 0.930 431 V CB 1.193 33.084 31.823 0.113 0.000 1.014 431 V HN 1.065 nan 8.190 nan 0.000 0.425 432 G N 1.342 110.297 108.800 0.258 0.000 2.153 432 G HA2 0.228 4.188 3.960 -0.001 0.000 0.252 432 G HA3 0.228 4.188 3.960 -0.001 0.000 0.252 432 G C 0.635 175.734 174.900 0.332 0.000 0.994 432 G CA 0.339 45.587 45.100 0.247 0.000 0.698 432 G HN 2.380 nan 8.290 nan 0.000 0.521 433 G N -1.196 107.861 108.800 0.427 0.000 2.692 433 G HA2 0.555 4.515 3.960 -0.001 0.000 0.291 433 G HA3 0.555 4.515 3.960 -0.001 0.000 0.291 433 G C -1.239 173.784 174.900 0.205 0.000 1.423 433 G CA -0.150 45.244 45.100 0.490 0.000 0.843 433 G HN 0.658 nan 8.290 nan 0.000 0.486 434 N N 0.920 119.689 118.700 0.113 0.000 2.790 434 N HA 0.374 5.113 4.740 -0.001 0.000 0.256 434 N C -1.634 173.468 175.510 -0.679 0.000 1.409 434 N CA -2.097 50.830 53.050 -0.205 0.000 0.799 434 N CB 2.225 40.675 38.487 -0.061 0.000 1.170 434 N HN 0.101 nan 8.380 nan 0.000 0.507 435 P HA -0.063 nan 4.420 nan 0.000 0.220 435 P C 0.886 177.583 177.300 -1.005 0.000 1.148 435 P CA 0.888 63.069 63.100 -1.531 0.000 0.803 435 P CB -0.010 30.806 31.700 -1.474 0.000 0.782 436 F N -1.056 118.445 119.950 -0.750 0.000 2.816 436 F HA -0.022 4.504 4.527 -0.001 0.000 0.302 436 F C 1.974 177.531 175.800 -0.405 0.000 1.178 436 F CA 0.595 58.234 58.000 -0.602 0.000 1.421 436 F CB -0.224 38.443 39.000 -0.555 0.000 1.114 436 F HN -0.227 nan 8.300 nan 0.000 0.573 437 V N -1.648 118.120 119.914 -0.243 0.000 3.103 437 V HA -0.102 4.018 4.120 -0.001 0.000 0.229 437 V C 2.186 178.217 176.094 -0.104 0.000 1.304 437 V CA 0.853 63.096 62.300 -0.094 0.000 1.298 437 V CB -0.394 31.460 31.823 0.051 0.000 1.093 437 V HN 0.389 nan 8.190 nan 0.000 0.489 438 H N -0.366 118.601 119.070 -0.172 0.000 2.470 438 H HA 0.005 4.560 4.556 -0.001 0.000 0.289 438 H C 1.175 176.327 175.328 -0.294 0.000 1.033 438 H CA 0.645 56.543 56.048 -0.249 0.000 1.331 438 H CB 0.092 29.668 29.762 -0.310 0.000 1.414 438 H HN 0.502 nan 8.280 nan 0.000 0.545 439 H N 1.419 120.381 119.070 -0.179 0.000 2.551 439 H HA 0.175 4.730 4.556 -0.001 0.000 0.358 439 H C -0.359 174.893 175.328 -0.125 0.000 1.151 439 H CA -0.401 55.593 56.048 -0.090 0.000 1.374 439 H CB 1.056 30.695 29.762 -0.205 0.000 1.473 439 H HN 0.226 nan 8.280 nan 0.000 0.574 440 Q N 1.333 120.647 119.800 -0.809 0.000 2.260 440 Q HA 0.214 4.554 4.340 -0.001 0.000 0.242 440 Q C -0.543 175.219 176.000 -0.397 0.000 0.932 440 Q CA -0.178 55.343 55.803 -0.469 0.000 0.891 440 Q CB 0.572 29.101 28.738 -0.348 0.000 1.222 440 Q HN 0.766 nan 8.270 nan 0.000 0.453 441 D N 0.327 120.576 120.400 -0.252 0.000 3.133 441 D HA -0.179 4.460 4.640 -0.001 0.000 0.239 441 D C 0.583 176.758 176.300 -0.209 0.000 1.136 441 D CA 0.324 54.209 54.000 -0.191 0.000 0.898 441 D CB -0.209 40.501 40.800 -0.151 0.000 0.959 441 D HN 0.651 nan 8.370 nan 0.000 0.415 442 R N 1.722 122.064 120.500 -0.264 0.000 2.094 442 R HA -0.145 4.194 4.340 -0.001 0.000 0.239 442 R C 1.947 178.096 176.300 -0.252 0.000 1.137 442 R CA 2.380 58.261 56.100 -0.365 0.000 0.943 442 R CB -0.269 29.692 30.300 -0.564 0.000 0.850 442 R HN 0.420 nan 8.270 nan 0.000 0.433 443 N N 0.227 118.839 118.700 -0.147 0.000 2.104 443 N HA -0.214 4.526 4.740 -0.001 0.000 0.190 443 N C 1.774 177.252 175.510 -0.053 0.000 1.024 443 N CA 1.529 54.544 53.050 -0.060 0.000 0.853 443 N CB -0.398 38.078 38.487 -0.018 0.000 1.008 443 N HN 0.329 nan 8.380 nan 0.000 0.424 444 R N 0.924 121.384 120.500 -0.068 0.000 2.081 444 R HA -0.037 4.302 4.340 -0.001 0.000 0.235 444 R C 2.288 178.557 176.300 -0.052 0.000 1.131 444 R CA 1.103 57.173 56.100 -0.050 0.000 0.960 444 R CB -0.194 30.074 30.300 -0.053 0.000 0.856 444 R HN 0.217 nan 8.270 nan 0.000 0.436 445 M N 0.194 119.730 119.600 -0.107 0.000 2.132 445 M HA -0.116 4.364 4.480 -0.001 0.000 0.263 445 M C 1.770 177.993 176.300 -0.129 0.000 1.065 445 M CA 1.523 56.731 55.300 -0.153 0.000 1.122 445 M CB 0.095 32.490 32.600 -0.342 0.000 1.365 445 M HN 0.073 nan 8.290 nan 0.000 0.411 446 V N 1.211 121.054 119.914 -0.117 0.000 2.490 446 V HA -0.253 3.867 4.120 -0.001 0.000 0.250 446 V C 2.400 178.568 176.094 0.123 0.000 1.061 446 V CA 2.042 64.368 62.300 0.044 0.000 1.064 446 V CB -0.787 31.086 31.823 0.083 0.000 0.670 446 V HN 0.501 nan 8.190 nan 0.000 0.461 447 K N 0.916 121.360 120.400 0.075 0.000 2.076 447 K HA 0.084 4.403 4.320 -0.001 0.000 0.204 447 K C 2.029 178.676 176.600 0.078 0.000 1.051 447 K CA 1.471 57.802 56.287 0.074 0.000 0.949 447 K CB -0.573 31.950 32.500 0.038 0.000 0.726 447 K HN 0.332 nan 8.250 nan 0.000 0.443 448 A N 0.059 122.920 122.820 0.069 0.000 2.015 448 A HA -0.129 4.190 4.320 -0.001 0.000 0.219 448 A C 2.062 179.698 177.584 0.085 0.000 1.163 448 A CA 0.990 53.052 52.037 0.043 0.000 0.646 448 A CB -1.006 18.000 19.000 0.010 0.000 0.806 448 A HN 0.604 nan 8.150 nan 0.000 0.448 449 W N 0.822 122.058 121.300 -0.106 0.000 2.421 449 W HA -0.117 4.542 4.660 -0.001 0.000 0.270 449 W C 1.533 178.028 176.519 -0.039 0.000 1.233 449 W CA 1.353 58.638 57.345 -0.100 0.000 1.226 449 W CB 0.014 29.445 29.460 -0.048 0.000 1.121 449 W HN 0.567 nan 8.180 nan 0.000 0.579 450 E N 0.055 120.343 120.200 0.147 0.000 2.331 450 E HA -0.232 4.117 4.350 -0.001 0.000 0.199 450 E C 2.038 178.638 176.600 -0.000 0.000 1.008 450 E CA 0.668 57.116 56.400 0.080 0.000 0.843 450 E CB -0.208 29.540 29.700 0.079 0.000 0.761 450 E HN 0.079 nan 8.360 nan 0.000 0.507 451 K N 0.849 121.210 120.400 -0.066 0.000 2.365 451 K HA -0.035 4.284 4.320 -0.001 0.000 0.199 451 K C 0.336 176.846 176.600 -0.150 0.000 1.045 451 K CA 0.228 56.450 56.287 -0.109 0.000 0.962 451 K CB 0.071 32.485 32.500 -0.144 0.000 0.759 451 K HN 0.115 nan 8.250 nan 0.000 0.469 452 L N 1.411 122.510 121.223 -0.206 0.000 2.326 452 L HA 0.113 4.452 4.340 -0.001 0.000 0.278 452 L C 1.371 178.214 176.870 -0.045 0.000 1.092 452 L CA -0.257 54.461 54.840 -0.204 0.000 0.810 452 L CB 1.245 43.068 42.059 -0.392 0.000 1.153 452 L HN 0.053 nan 8.230 nan 0.000 0.439 453 E N 0.721 120.925 120.200 0.007 0.000 2.076 453 E HA -0.003 4.346 4.350 -0.001 0.000 0.190 453 E C -0.220 176.510 176.600 0.216 0.000 0.979 453 E CA 0.853 57.326 56.400 0.122 0.000 0.807 453 E CB 0.316 30.099 29.700 0.139 0.000 0.761 453 E HN 0.605 nan 8.360 nan 0.000 0.454 454 T N 0.523 115.173 114.554 0.161 0.000 2.881 454 T HA 0.386 4.736 4.350 -0.001 0.000 0.290 454 T C -1.386 173.398 174.700 0.140 0.000 1.000 454 T CA -0.590 61.577 62.100 0.111 0.000 0.978 454 T CB 1.479 70.449 68.868 0.170 0.000 0.997 454 T HN -0.058 nan 8.240 nan 0.000 0.443 455 F N 4.030 123.912 119.950 -0.113 0.000 2.499 455 F HA 0.673 5.199 4.527 -0.001 0.000 0.333 455 F C -1.254 174.507 175.800 -0.065 0.000 1.138 455 F CA -1.521 56.492 58.000 0.021 0.000 0.945 455 F CB 0.900 40.023 39.000 0.206 0.000 1.181 455 F HN 0.308 nan 8.300 nan 0.000 0.435 456 V N 6.587 126.341 119.914 -0.267 0.000 2.459 456 V HA 0.739 4.858 4.120 -0.001 0.000 0.295 456 V C -0.651 175.127 176.094 -0.527 0.000 1.029 456 V CA -0.809 61.174 62.300 -0.528 0.000 0.874 456 V CB 1.562 32.847 31.823 -0.897 0.000 0.985 456 V HN 0.579 nan 8.190 nan 0.000 0.438 457 V N 3.996 123.677 119.914 -0.388 0.000 2.841 457 V HA 0.536 4.655 4.120 -0.001 0.000 0.310 457 V C -0.972 175.150 176.094 0.046 0.000 1.090 457 V CA -0.712 61.477 62.300 -0.184 0.000 0.930 457 V CB 2.417 34.032 31.823 -0.347 0.000 1.014 457 V HN 0.991 nan 8.190 nan 0.000 0.425 458 H N 2.397 121.468 119.070 0.002 0.000 2.538 458 H HA 0.727 5.283 4.556 -0.001 0.000 0.353 458 H C -1.088 174.214 175.328 -0.042 0.000 1.109 458 H CA -0.770 55.263 56.048 -0.024 0.000 1.192 458 H CB 2.537 32.324 29.762 0.042 0.000 1.555 458 H HN 0.619 nan 8.280 nan 0.000 0.518 459 D N 1.541 121.937 120.400 -0.007 0.000 2.665 459 D HA 0.030 4.669 4.640 -0.001 0.000 0.287 459 D C -0.595 175.640 176.300 -0.108 0.000 1.266 459 D CA -0.555 53.371 54.000 -0.122 0.000 0.830 459 D CB 1.657 42.300 40.800 -0.262 0.000 1.356 459 D HN 0.470 nan 8.370 nan 0.000 0.437 460 F N -0.654 119.259 119.950 -0.062 0.000 2.706 460 F HA 0.464 4.990 4.527 -0.001 0.000 0.308 460 F C 0.554 176.302 175.800 -0.085 0.000 1.095 460 F CA -0.256 57.700 58.000 -0.074 0.000 1.244 460 F CB 0.360 39.356 39.000 -0.006 0.000 1.063 460 F HN -0.107 nan 8.300 nan 0.000 0.582 461 Q N 0.250 119.893 119.800 -0.261 0.000 2.377 461 Q HA 0.169 4.508 4.340 -0.001 0.000 0.271 461 Q C -1.630 174.214 176.000 -0.259 0.000 1.077 461 Q CA -0.561 55.194 55.803 -0.080 0.000 0.820 461 Q CB 1.884 30.690 28.738 0.113 0.000 1.347 461 Q HN 0.474 nan 8.270 nan 0.000 0.444 462 W N 2.867 124.109 121.300 -0.097 0.000 1.564 462 W HA 0.064 4.723 4.660 -0.001 0.000 0.480 462 W C 0.887 177.111 176.519 -0.493 0.000 0.699 462 W CA -0.053 57.157 57.345 -0.225 0.000 1.985 462 W CB -0.009 29.372 29.460 -0.131 0.000 1.738 462 W HN 0.409 nan 8.180 nan 0.000 0.218 463 T N -1.234 112.991 114.554 -0.548 0.000 2.788 463 T HA 0.172 4.521 4.350 -0.001 0.000 0.287 463 T C -1.494 172.913 174.700 -0.489 0.000 1.007 463 T CA -1.461 60.031 62.100 -1.015 0.000 1.005 463 T CB 1.210 69.618 68.868 -0.766 0.000 1.012 463 T HN -0.070 nan 8.240 nan 0.000 0.530 464 P HA -0.097 nan 4.420 nan 0.000 0.216 464 P C 1.617 178.848 177.300 -0.115 0.000 1.150 464 P CA 1.269 64.298 63.100 -0.118 0.000 0.843 464 P CB -0.282 31.427 31.700 0.015 0.000 0.787 465 T N -0.712 113.735 114.554 -0.179 0.000 2.708 465 T HA -0.140 4.210 4.350 -0.001 0.000 0.266 465 T C 1.900 176.521 174.700 -0.131 0.000 1.037 465 T CA 1.681 63.697 62.100 -0.141 0.000 1.146 465 T CB -1.004 67.812 68.868 -0.088 0.000 0.865 465 T HN 0.049 nan 8.240 nan 0.000 0.435 466 A N 1.878 124.599 122.820 -0.165 0.000 1.908 466 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 466 A C 2.333 179.957 177.584 0.066 0.000 1.181 466 A CA 1.543 53.473 52.037 -0.178 0.000 0.627 466 A CB -0.549 18.237 19.000 -0.358 0.000 0.818 466 A HN 0.428 nan 8.150 nan 0.000 0.445 467 R N -1.623 118.975 120.500 0.163 0.000 2.193 467 R HA -0.119 4.220 4.340 -0.001 0.000 0.229 467 R C 1.160 177.501 176.300 0.067 0.000 1.110 467 R CA 1.454 57.688 56.100 0.224 0.000 0.988 467 R CB -0.314 30.000 30.300 0.024 0.000 0.871 467 R HN 0.716 nan 8.270 nan 0.000 0.458 468 H N -0.700 118.304 119.070 -0.110 0.000 2.529 468 H HA 0.298 4.853 4.556 -0.001 0.000 0.277 468 H C 0.263 175.677 175.328 0.143 0.000 1.004 468 H CA 0.037 55.983 56.048 -0.170 0.000 1.167 468 H CB 0.491 29.725 29.762 -0.880 0.000 1.445 468 H HN 0.177 nan 8.280 nan 0.000 0.554 469 A N 0.019 122.943 122.820 0.173 0.000 2.296 469 A HA 0.091 4.411 4.320 -0.001 0.000 0.264 469 A C 0.815 178.471 177.584 0.120 0.000 1.097 469 A CA -0.264 51.784 52.037 0.017 0.000 0.811 469 A CB 0.547 19.386 19.000 -0.268 0.000 1.072 469 A HN 0.277 nan 8.150 nan 0.000 0.495 470 D N -0.510 119.857 120.400 -0.056 0.000 2.201 470 D HA 0.142 4.781 4.640 -0.001 0.000 0.209 470 D C 0.067 176.264 176.300 -0.172 0.000 0.961 470 D CA 1.344 55.197 54.000 -0.244 0.000 0.861 470 D CB 0.137 40.424 40.800 -0.856 0.000 0.997 470 D HN 0.472 nan 8.370 nan 0.000 0.486 471 I N 1.231 121.671 120.570 -0.216 0.000 2.436 471 I HA 0.203 4.373 4.170 -0.001 0.000 0.289 471 I C -0.825 175.191 176.117 -0.167 0.000 1.010 471 I CA -0.715 60.503 61.300 -0.137 0.000 1.098 471 I CB 2.801 40.697 38.000 -0.173 0.000 1.266 471 I HN -0.389 nan 8.210 nan 0.000 0.434 472 V N 7.265 127.074 119.914 -0.177 0.000 2.409 472 V HA 0.461 4.580 4.120 -0.001 0.000 0.291 472 V C -0.166 175.739 176.094 -0.315 0.000 1.020 472 V CA -0.530 61.593 62.300 -0.295 0.000 0.848 472 V CB 1.707 33.239 31.823 -0.484 0.000 0.990 472 V HN 0.471 nan 8.190 nan 0.000 0.430 473 L N 7.419 128.487 121.223 -0.259 0.000 2.305 473 L HA 0.503 4.842 4.340 -0.001 0.000 0.284 473 L C -2.362 174.386 176.870 -0.204 0.000 1.013 473 L CA -1.820 52.846 54.840 -0.291 0.000 0.819 473 L CB 2.433 44.309 42.059 -0.305 0.000 1.227 473 L HN 0.401 nan 8.230 nan 0.000 0.417 474 P HA 0.176 nan 4.420 nan 0.000 0.276 474 P C -0.722 176.637 177.300 0.099 0.000 1.253 474 P CA -0.072 62.996 63.100 -0.053 0.000 0.766 474 P CB 1.435 33.113 31.700 -0.037 0.000 0.845 475 A N 3.942 126.814 122.820 0.087 0.000 2.269 475 A HA 0.726 5.045 4.320 -0.001 0.000 0.327 475 A C 0.521 178.181 177.584 0.126 0.000 1.112 475 A CA -0.347 51.763 52.037 0.121 0.000 0.865 475 A CB 0.309 19.419 19.000 0.184 0.000 1.227 475 A HN 0.565 nan 8.150 nan 0.000 0.498 476 T N -1.198 113.379 114.554 0.037 0.000 2.881 476 T HA 0.581 4.930 4.350 -0.001 0.000 0.278 476 T C 0.633 175.199 174.700 -0.223 0.000 0.982 476 T CA 0.154 62.203 62.100 -0.086 0.000 0.989 476 T CB 0.844 69.630 68.868 -0.136 0.000 1.058 476 T HN 1.101 nan 8.240 nan 0.000 0.529 477 T N -1.252 113.009 114.554 -0.489 0.000 2.814 477 T HA 0.311 4.661 4.350 -0.001 0.000 0.284 477 T C 1.389 175.737 174.700 -0.588 0.000 0.998 477 T CA -0.472 61.156 62.100 -0.786 0.000 0.935 477 T CB 0.269 68.602 68.868 -0.893 0.000 1.167 477 T HN 0.490 nan 8.240 nan 0.000 0.545 478 S N -0.244 114.957 115.700 -0.831 0.000 2.481 478 S HA 0.013 4.482 4.470 -0.001 0.000 0.231 478 S C 1.197 175.464 174.600 -0.555 0.000 0.996 478 S CA 0.375 58.178 58.200 -0.660 0.000 0.942 478 S CB -0.642 62.193 63.200 -0.608 0.000 0.768 478 S HN 0.725 nan 8.310 nan 0.000 0.520 479 Y N 1.600 121.859 120.300 -0.069 0.000 2.578 479 Y HA 0.212 4.762 4.550 -0.001 0.000 0.297 479 Y C 1.408 177.273 175.900 -0.058 0.000 1.176 479 Y CA -0.322 57.767 58.100 -0.018 0.000 1.315 479 Y CB -0.690 37.813 38.460 0.071 0.000 1.031 479 Y HN 0.324 nan 8.280 nan 0.000 0.524 480 E N 0.561 120.713 120.200 -0.079 0.000 2.624 480 E HA 0.215 4.564 4.350 -0.001 0.000 0.210 480 E C 0.190 176.727 176.600 -0.105 0.000 0.997 480 E CA -0.234 56.118 56.400 -0.079 0.000 0.999 480 E CB 0.518 30.147 29.700 -0.119 0.000 1.040 480 E HN 0.397 nan 8.360 nan 0.000 0.469 481 R N -0.992 119.439 120.500 -0.116 0.000 2.756 481 R HA 0.407 4.747 4.340 -0.001 0.000 0.273 481 R C -1.220 175.074 176.300 -0.010 0.000 1.030 481 R CA -0.955 55.071 56.100 -0.122 0.000 0.887 481 R CB 0.647 30.713 30.300 -0.390 0.000 1.274 481 R HN -0.196 nan 8.270 nan 0.000 0.461 482 N N 0.088 118.849 118.700 0.102 0.000 2.417 482 N HA 0.419 5.159 4.740 -0.001 0.000 0.300 482 N C -1.397 174.308 175.510 0.325 0.000 1.102 482 N CA -0.226 52.973 53.050 0.249 0.000 0.886 482 N CB 1.725 40.390 38.487 0.297 0.000 1.203 482 N HN 0.520 nan 8.380 nan 0.000 0.496 483 D N 0.347 120.959 120.400 0.354 0.000 2.768 483 D HA 0.485 5.125 4.640 -0.001 0.000 0.327 483 D C -1.254 175.268 176.300 0.370 0.000 1.302 483 D CA -0.413 53.786 54.000 0.332 0.000 0.897 483 D CB 2.459 43.402 40.800 0.238 0.000 1.420 483 D HN 0.352 nan 8.370 nan 0.000 0.494 484 I N 0.672 121.428 120.570 0.310 0.000 2.769 484 I HA 0.569 4.738 4.170 -0.001 0.000 0.298 484 I C -1.700 174.507 176.117 0.150 0.000 1.128 484 I CA -0.434 61.053 61.300 0.312 0.000 1.031 484 I CB 2.070 40.358 38.000 0.480 0.000 1.235 484 I HN 0.339 nan 8.210 nan 0.000 0.423 485 E N 3.460 123.715 120.200 0.092 0.000 2.390 485 E HA 0.412 4.761 4.350 -0.001 0.000 0.280 485 E C -1.425 175.178 176.600 0.006 0.000 0.992 485 E CA -0.428 55.977 56.400 0.009 0.000 0.790 485 E CB 2.076 31.745 29.700 -0.052 0.000 1.248 485 E HN 0.567 nan 8.360 nan 0.000 0.447 486 T N 2.737 117.288 114.554 -0.004 0.000 2.898 486 T HA 0.382 4.731 4.350 -0.001 0.000 0.301 486 T C 0.280 174.970 174.700 -0.017 0.000 1.049 486 T CA -0.001 62.106 62.100 0.011 0.000 1.095 486 T CB 0.128 69.009 68.868 0.023 0.000 0.976 486 T HN 0.315 nan 8.240 nan 0.000 0.539 487 I N 2.109 122.672 120.570 -0.012 0.000 2.328 487 I HA 0.513 4.682 4.170 -0.001 0.000 0.287 487 I C 0.692 176.835 176.117 0.044 0.000 1.012 487 I CA -0.176 61.116 61.300 -0.012 0.000 1.195 487 I CB 0.973 38.947 38.000 -0.043 0.000 1.350 487 I HN 0.904 nan 8.210 nan 0.000 0.464 488 G N 4.832 113.657 108.800 0.042 0.000 2.798 488 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.658 488 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.658 488 G C 0.063 174.984 174.900 0.037 0.000 1.148 488 G CA -0.766 44.379 45.100 0.074 0.000 1.200 488 G HN 0.716 nan 8.290 nan 0.000 0.519 489 D N 0.104 120.487 120.400 -0.028 0.000 2.190 489 D HA -0.135 4.504 4.640 -0.001 0.000 0.200 489 D C 1.475 177.603 176.300 -0.286 0.000 0.992 489 D CA 1.905 55.795 54.000 -0.182 0.000 0.854 489 D CB 0.306 40.911 40.800 -0.325 0.000 0.936 489 D HN 0.649 nan 8.370 nan 0.000 0.462 490 Y N -0.140 120.193 120.300 0.055 0.000 2.607 490 Y HA -0.007 4.542 4.550 -0.001 0.000 0.276 490 Y C 2.645 178.573 175.900 0.046 0.000 1.117 490 Y CA 0.416 58.540 58.100 0.041 0.000 1.273 490 Y CB -0.244 38.242 38.460 0.044 0.000 1.282 490 Y HN -0.099 nan 8.280 nan 0.000 0.514 491 S N -0.031 115.811 115.700 0.237 0.000 2.406 491 S HA -0.144 4.326 4.470 -0.001 0.000 0.228 491 S C 1.064 175.762 174.600 0.163 0.000 1.020 491 S CA 0.862 59.176 58.200 0.189 0.000 0.965 491 S CB -0.563 62.752 63.200 0.193 0.000 0.798 491 S HN 0.507 nan 8.310 nan 0.000 0.488 492 N N 0.938 119.728 118.700 0.150 0.000 2.738 492 N HA -0.146 4.593 4.740 -0.001 0.000 0.249 492 N C 0.411 176.073 175.510 0.254 0.000 1.047 492 N CA 0.948 54.109 53.050 0.185 0.000 0.707 492 N CB -2.107 36.480 38.487 0.166 0.000 0.937 492 N HN 0.507 nan 8.380 nan 0.000 0.545 493 T N -1.579 113.084 114.554 0.181 0.000 2.759 493 T HA 0.150 4.499 4.350 -0.001 0.000 0.269 493 T C 1.118 175.836 174.700 0.030 0.000 1.042 493 T CA 1.549 63.743 62.100 0.157 0.000 1.140 493 T CB -0.149 68.816 68.868 0.161 0.000 0.864 493 T HN 0.781 nan 8.240 nan 0.000 0.455 494 G N -0.708 108.042 108.800 -0.084 0.000 2.340 494 G HA2 0.541 4.500 3.960 -0.001 0.000 0.299 494 G HA3 0.541 4.500 3.960 -0.001 0.000 0.299 494 G C -2.139 172.627 174.900 -0.223 0.000 1.291 494 G CA -1.005 43.827 45.100 -0.445 0.000 0.841 494 G HN 0.208 nan 8.290 nan 0.000 0.500 495 I N 0.302 120.734 120.570 -0.231 0.000 2.498 495 I HA 0.499 4.668 4.170 -0.001 0.000 0.290 495 I C -0.916 175.241 176.117 0.068 0.000 1.032 495 I CA -0.769 60.515 61.300 -0.027 0.000 1.073 495 I CB 2.047 40.062 38.000 0.024 0.000 1.251 495 I HN 0.428 nan 8.210 nan 0.000 0.426 496 L N 6.209 127.460 121.223 0.045 0.000 2.325 496 L HA 0.799 5.138 4.340 -0.001 0.000 0.278 496 L C -0.172 176.725 176.870 0.045 0.000 1.023 496 L CA -0.204 54.611 54.840 -0.042 0.000 0.811 496 L CB 1.699 43.632 42.059 -0.210 0.000 1.249 496 L HN 0.661 nan 8.230 nan 0.000 0.431 497 A N 5.785 128.470 122.820 -0.225 0.000 2.269 497 A HA 0.502 4.822 4.320 -0.001 0.000 0.302 497 A C -0.155 177.161 177.584 -0.447 0.000 1.266 497 A CA -0.429 51.328 52.037 -0.468 0.000 0.894 497 A CB -0.158 17.962 19.000 -1.467 0.000 1.147 497 A HN 0.790 nan 8.150 nan 0.000 0.537 498 M N 3.725 123.215 119.600 -0.184 0.000 2.974 498 M HA 0.095 4.575 4.480 -0.001 0.000 0.301 498 M C -0.086 176.155 176.300 -0.099 0.000 1.409 498 M CA 0.359 55.569 55.300 -0.151 0.000 1.515 498 M CB -0.319 32.260 32.600 -0.036 0.000 1.163 498 M HN 0.548 nan 8.290 nan 0.000 0.520 499 K N 1.999 122.263 120.400 -0.227 0.000 2.326 499 K HA 0.145 4.464 4.320 -0.001 0.000 0.275 499 K C 0.176 176.765 176.600 -0.018 0.000 1.018 499 K CA -0.272 55.953 56.287 -0.103 0.000 0.962 499 K CB 0.862 33.216 32.500 -0.244 0.000 0.953 499 K HN 0.366 nan 8.250 nan 0.000 0.475 500 K N 3.354 123.792 120.400 0.064 0.000 2.447 500 K HA -0.036 4.283 4.320 -0.001 0.000 0.281 500 K C 0.326 176.952 176.600 0.043 0.000 1.031 500 K CA 0.190 56.509 56.287 0.053 0.000 1.019 500 K CB 0.322 32.857 32.500 0.059 0.000 0.918 500 K HN 0.539 nan 8.250 nan 0.000 0.476 501 I N 3.852 124.465 120.570 0.073 0.000 2.729 501 I HA -0.037 4.132 4.170 -0.001 0.000 0.256 501 I C 0.535 176.702 176.117 0.084 0.000 1.115 501 I CA 0.170 61.520 61.300 0.084 0.000 1.446 501 I CB 0.484 38.574 38.000 0.150 0.000 1.176 501 I HN 0.482 nan 8.210 nan 0.000 0.446 502 V N -2.750 117.214 119.914 0.083 0.000 3.158 502 V HA 0.530 4.649 4.120 -0.001 0.000 0.311 502 V C -0.627 175.482 176.094 0.026 0.000 1.181 502 V CA -1.009 61.329 62.300 0.063 0.000 1.054 502 V CB 1.813 33.691 31.823 0.090 0.000 1.085 502 V HN -0.065 nan 8.190 nan 0.000 0.446 503 E N 0.896 121.104 120.200 0.014 0.000 2.349 503 E HA 0.424 4.773 4.350 -0.001 0.000 0.262 503 E C -2.556 174.024 176.600 -0.034 0.000 1.088 503 E CA -1.905 54.490 56.400 -0.008 0.000 0.899 503 E CB 0.648 30.346 29.700 -0.004 0.000 1.044 503 E HN 0.575 nan 8.360 nan 0.000 0.420 504 P HA -0.085 nan 4.420 nan 0.000 0.263 504 P C -0.404 176.854 177.300 -0.070 0.000 1.168 504 P CA 0.709 63.775 63.100 -0.057 0.000 0.759 504 P CB 0.349 32.027 31.700 -0.038 0.000 0.782 505 L N 4.206 125.362 121.223 -0.111 0.000 2.399 505 L HA 0.252 4.591 4.340 -0.001 0.000 0.266 505 L C 0.703 177.504 176.870 -0.115 0.000 1.114 505 L CA -0.410 54.288 54.840 -0.238 0.000 0.804 505 L CB 0.081 41.923 42.059 -0.362 0.000 1.146 505 L HN 0.530 nan 8.230 nan 0.000 0.451 506 Y N 0.748 121.080 120.300 0.052 0.000 2.845 506 Y HA -0.418 4.132 4.550 -0.001 0.000 0.468 506 Y C 0.999 176.978 175.900 0.131 0.000 1.163 506 Y CA 1.243 59.383 58.100 0.066 0.000 2.636 506 Y CB -0.774 37.645 38.460 -0.069 0.000 1.194 506 Y HN 0.584 nan 8.280 nan 0.000 0.626 507 E N 1.278 121.705 120.200 0.378 0.000 2.499 507 E HA 0.552 4.901 4.350 -0.001 0.000 0.207 507 E C -0.090 176.785 176.600 0.458 0.000 1.034 507 E CA 0.256 56.918 56.400 0.436 0.000 1.098 507 E CB 0.289 30.347 29.700 0.596 0.000 1.148 507 E HN 0.488 nan 8.360 nan 0.000 0.447 508 A N 1.601 124.581 122.820 0.268 0.000 2.407 508 A HA 0.433 4.752 4.320 -0.001 0.000 0.248 508 A C 0.145 177.784 177.584 0.091 0.000 1.082 508 A CA 0.009 52.174 52.037 0.213 0.000 0.785 508 A CB 0.469 19.538 19.000 0.115 0.000 1.020 508 A HN 0.196 nan 8.150 nan 0.000 0.489 509 R N 0.545 121.059 120.500 0.023 0.000 2.725 509 R HA 0.477 4.816 4.340 -0.001 0.000 0.277 509 R C -0.177 176.068 176.300 -0.090 0.000 0.987 509 R CA -0.424 55.586 56.100 -0.150 0.000 0.901 509 R CB 2.054 32.065 30.300 -0.482 0.000 1.207 509 R HN 0.924 nan 8.270 nan 0.000 0.463 510 S N 0.129 115.790 115.700 -0.065 0.000 2.584 510 S HA 0.006 4.475 4.470 -0.001 0.000 0.270 510 S C 0.560 175.196 174.600 0.060 0.000 1.346 510 S CA -0.402 57.802 58.200 0.006 0.000 1.018 510 S CB 0.756 63.974 63.200 0.031 0.000 0.899 510 S HN 0.563 nan 8.310 nan 0.000 0.542 511 D N 0.521 121.011 120.400 0.150 0.000 2.123 511 D HA -0.160 4.479 4.640 -0.001 0.000 0.196 511 D C 1.473 177.890 176.300 0.195 0.000 0.992 511 D CA 1.696 55.779 54.000 0.137 0.000 0.833 511 D CB -0.268 40.719 40.800 0.312 0.000 0.954 511 D HN 0.803 nan 8.370 nan 0.000 0.455 512 Y N 2.342 122.800 120.300 0.263 0.000 2.114 512 Y HA -0.252 4.298 4.550 -0.001 0.000 0.282 512 Y C 1.883 177.887 175.900 0.172 0.000 1.165 512 Y CA 1.827 60.115 58.100 0.314 0.000 1.148 512 Y CB -0.145 38.467 38.460 0.253 0.000 0.972 512 Y HN -0.159 nan 8.280 nan 0.000 0.504 513 D N 0.180 120.745 120.400 0.274 0.000 2.097 513 D HA -0.201 4.439 4.640 -0.001 0.000 0.195 513 D C 2.297 178.499 176.300 -0.164 0.000 0.989 513 D CA 1.971 56.003 54.000 0.053 0.000 0.827 513 D CB -0.424 40.361 40.800 -0.025 0.000 0.966 513 D HN 0.478 nan 8.370 nan 0.000 0.456 514 I N 0.030 120.450 120.570 -0.250 0.000 2.226 514 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 514 I C 2.018 177.961 176.117 -0.289 0.000 1.100 514 I CA 0.810 61.913 61.300 -0.329 0.000 1.374 514 I CB -0.231 37.493 38.000 -0.460 0.000 1.057 514 I HN -0.100 nan 8.210 nan 0.000 0.413 515 F N 0.941 120.762 119.950 -0.215 0.000 2.259 515 F HA -0.071 4.456 4.527 -0.001 0.000 0.298 515 F C 2.578 177.802 175.800 -0.959 0.000 1.088 515 F CA 0.933 58.641 58.000 -0.487 0.000 1.358 515 F CB -1.047 37.663 39.000 -0.483 0.000 1.040 515 F HN -0.018 nan 8.300 nan 0.000 0.505 516 A N -0.003 122.343 122.820 -0.790 0.000 1.898 516 A HA -0.023 4.296 4.320 -0.001 0.000 0.216 516 A C 2.444 179.841 177.584 -0.312 0.000 1.181 516 A CA 1.701 53.328 52.037 -0.685 0.000 0.620 516 A CB -1.221 17.585 19.000 -0.325 0.000 0.819 516 A HN 0.274 nan 8.150 nan 0.000 0.442 517 A N -0.658 122.035 122.820 -0.212 0.000 1.930 517 A HA 0.050 4.370 4.320 -0.001 0.000 0.217 517 A C 2.211 179.754 177.584 -0.068 0.000 1.175 517 A CA 1.677 53.649 52.037 -0.108 0.000 0.627 517 A CB -0.785 18.159 19.000 -0.093 0.000 0.815 517 A HN 0.353 nan 8.150 nan 0.000 0.443 518 V N -0.196 119.679 119.914 -0.067 0.000 2.358 518 V HA -0.210 3.910 4.120 -0.001 0.000 0.246 518 V C 3.050 179.127 176.094 -0.028 0.000 1.047 518 V CA 1.830 64.135 62.300 0.008 0.000 1.035 518 V CB -1.148 30.733 31.823 0.097 0.000 0.658 518 V HN 0.597 nan 8.190 nan 0.000 0.452 519 A N -0.115 122.627 122.820 -0.131 0.000 1.933 519 A HA -0.260 4.059 4.320 -0.001 0.000 0.218 519 A C 2.168 179.736 177.584 -0.026 0.000 1.175 519 A CA 2.055 54.037 52.037 -0.092 0.000 0.628 519 A CB -0.496 18.391 19.000 -0.188 0.000 0.814 519 A HN 0.552 nan 8.150 nan 0.000 0.444 520 E N 0.272 120.448 120.200 -0.040 0.000 2.077 520 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 520 E C 2.096 178.704 176.600 0.013 0.000 0.989 520 E CA 1.476 57.875 56.400 -0.002 0.000 0.800 520 E CB -0.237 29.458 29.700 -0.009 0.000 0.746 520 E HN 0.605 nan 8.360 nan 0.000 0.452 521 R N -0.462 120.047 120.500 0.014 0.000 2.235 521 R HA 0.040 4.380 4.340 -0.001 0.000 0.213 521 R C 1.765 178.087 176.300 0.037 0.000 1.059 521 R CA 0.815 56.934 56.100 0.031 0.000 0.997 521 R CB -0.102 30.223 30.300 0.042 0.000 0.884 521 R HN 0.253 nan 8.270 nan 0.000 0.462 522 L N -0.396 120.849 121.223 0.035 0.000 2.592 522 L HA 0.224 4.563 4.340 -0.001 0.000 0.227 522 L C 0.903 177.795 176.870 0.037 0.000 1.127 522 L CA 0.170 55.034 54.840 0.041 0.000 0.884 522 L CB 0.246 42.333 42.059 0.046 0.000 1.065 522 L HN 0.353 nan 8.230 nan 0.000 0.457 523 G N 0.787 109.607 108.800 0.034 0.000 2.160 523 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.244 523 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.244 523 G C 0.561 175.486 174.900 0.040 0.000 1.022 523 G CA 0.024 45.145 45.100 0.034 0.000 0.741 523 G HN 0.303 nan 8.290 nan 0.000 0.508 524 K N -0.280 120.149 120.400 0.047 0.000 2.592 524 K HA 0.284 4.603 4.320 -0.001 0.000 0.203 524 K C 2.122 178.779 176.600 0.094 0.000 1.070 524 K CA 0.349 56.676 56.287 0.067 0.000 1.062 524 K CB 0.494 33.038 32.500 0.075 0.000 0.814 524 K HN 0.354 nan 8.250 nan 0.000 0.502 525 G N 1.861 110.705 108.800 0.073 0.000 2.529 525 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.219 525 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.219 525 G C 1.510 176.493 174.900 0.140 0.000 1.177 525 G CA 1.519 46.673 45.100 0.089 0.000 0.773 525 G HN 0.358 nan 8.290 nan 0.000 0.573 526 A N 0.547 123.429 122.820 0.103 0.000 1.933 526 A HA 0.019 4.339 4.320 -0.001 0.000 0.218 526 A C 2.236 179.885 177.584 0.108 0.000 1.175 526 A CA 2.172 54.265 52.037 0.094 0.000 0.628 526 A CB -0.321 18.712 19.000 0.055 0.000 0.814 526 A HN 0.390 nan 8.150 nan 0.000 0.444 527 E N -1.187 119.081 120.200 0.112 0.000 2.107 527 E HA -0.063 4.287 4.350 -0.001 0.000 0.191 527 E C 1.596 178.276 176.600 0.133 0.000 0.982 527 E CA 1.052 57.513 56.400 0.102 0.000 0.809 527 E CB -0.362 29.389 29.700 0.084 0.000 0.756 527 E HN 0.682 nan 8.360 nan 0.000 0.459 528 F N 0.964 120.941 119.950 0.044 0.000 2.146 528 F HA -0.193 4.334 4.527 -0.001 0.000 0.298 528 F C 2.306 178.176 175.800 0.118 0.000 1.096 528 F CA 1.846 59.863 58.000 0.027 0.000 1.275 528 F CB -0.271 38.706 39.000 -0.038 0.000 1.008 528 F HN 0.082 nan 8.300 nan 0.000 0.480 529 T N -3.319 111.431 114.554 0.328 0.000 3.057 529 T HA 0.072 4.421 4.350 -0.001 0.000 0.254 529 T C 1.047 175.966 174.700 0.364 0.000 1.094 529 T CA 0.766 63.120 62.100 0.425 0.000 1.088 529 T CB 0.014 69.121 68.868 0.399 0.000 0.934 529 T HN 0.252 nan 8.240 nan 0.000 0.497 530 E N 0.775 121.085 120.200 0.184 0.000 2.971 530 E HA -0.160 4.189 4.350 -0.001 0.000 0.278 530 E C 0.960 177.495 176.600 -0.109 0.000 1.009 530 E CA 1.094 57.502 56.400 0.013 0.000 0.862 530 E CB -2.000 27.666 29.700 -0.058 0.000 1.436 530 E HN 1.182 nan 8.360 nan 0.000 0.434 531 G N -0.364 108.415 108.800 -0.036 0.000 2.249 531 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.273 531 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.273 531 G C 0.152 174.954 174.900 -0.163 0.000 1.036 531 G CA 0.907 45.965 45.100 -0.071 0.000 0.824 531 G HN 0.388 nan 8.290 nan 0.000 0.504 532 K N 0.086 120.357 120.400 -0.215 0.000 2.328 532 K HA 0.527 4.846 4.320 -0.001 0.000 0.246 532 K C -0.225 176.310 176.600 -0.107 0.000 0.955 532 K CA -0.615 55.427 56.287 -0.407 0.000 0.817 532 K CB 1.570 33.377 32.500 -1.156 0.000 1.208 532 K HN 0.268 nan 8.250 nan 0.000 0.432 533 D N -0.136 120.197 120.400 -0.112 0.000 2.588 533 D HA 0.025 4.664 4.640 -0.001 0.000 0.268 533 D C 0.795 177.098 176.300 0.006 0.000 1.176 533 D CA -0.430 53.579 54.000 0.014 0.000 1.080 533 D CB 0.532 41.325 40.800 -0.012 0.000 1.186 533 D HN 0.623 nan 8.370 nan 0.000 0.619 534 E N -1.001 119.179 120.200 -0.034 0.000 2.049 534 E HA -0.205 4.144 4.350 -0.001 0.000 0.198 534 E C 1.932 178.489 176.600 -0.071 0.000 1.007 534 E CA 1.356 57.715 56.400 -0.069 0.000 0.809 534 E CB -0.008 29.674 29.700 -0.031 0.000 0.749 534 E HN 0.327 nan 8.360 nan 0.000 0.450 535 M N -0.050 119.481 119.600 -0.115 0.000 2.254 535 M HA -0.011 4.469 4.480 -0.001 0.000 0.265 535 M C 2.371 178.518 176.300 -0.256 0.000 1.066 535 M CA 1.276 56.464 55.300 -0.186 0.000 1.123 535 M CB -1.154 31.335 32.600 -0.184 0.000 1.388 535 M HN 0.265 nan 8.290 nan 0.000 0.425 536 G N -0.837 107.815 108.800 -0.247 0.000 2.440 536 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.218 536 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.218 536 G C 1.405 176.030 174.900 -0.459 0.000 1.154 536 G CA 0.487 45.373 45.100 -0.357 0.000 0.767 536 G HN 0.459 nan 8.290 nan 0.000 0.552 537 W N 0.546 121.585 121.300 -0.434 0.000 2.378 537 W HA 0.099 4.758 4.660 -0.001 0.000 0.313 537 W C 2.619 178.520 176.519 -1.030 0.000 1.197 537 W CA 0.152 57.082 57.345 -0.691 0.000 1.304 537 W CB -0.236 28.924 29.460 -0.500 0.000 1.148 537 W HN 0.092 nan 8.180 nan 0.000 0.494 538 I N 0.599 120.979 120.570 -0.317 0.000 2.208 538 I HA -0.376 3.794 4.170 -0.001 0.000 0.245 538 I C 2.461 178.354 176.117 -0.374 0.000 1.097 538 I CA 1.729 62.919 61.300 -0.183 0.000 1.363 538 I CB -0.595 37.425 38.000 0.034 0.000 1.051 538 I HN -0.018 nan 8.210 nan 0.000 0.413 539 K N 0.930 120.915 120.400 -0.691 0.000 2.097 539 K HA -0.180 4.139 4.320 -0.001 0.000 0.205 539 K C 2.291 178.611 176.600 -0.466 0.000 1.050 539 K CA 1.747 57.454 56.287 -0.966 0.000 0.938 539 K CB -0.082 31.777 32.500 -1.068 0.000 0.718 539 K HN 0.376 nan 8.250 nan 0.000 0.442 540 S N -0.061 115.363 115.700 -0.460 0.000 2.402 540 S HA -0.119 4.350 4.470 -0.001 0.000 0.229 540 S C 1.745 176.260 174.600 -0.142 0.000 1.021 540 S CA 0.702 58.718 58.200 -0.307 0.000 0.974 540 S CB -0.566 62.435 63.200 -0.332 0.000 0.800 540 S HN 0.274 nan 8.310 nan 0.000 0.484 541 F N 0.863 120.816 119.950 0.005 0.000 2.113 541 F HA 0.118 4.645 4.527 -0.001 0.000 0.297 541 F C 2.436 178.240 175.800 0.008 0.000 1.103 541 F CA 0.186 58.198 58.000 0.021 0.000 1.248 541 F CB -1.601 37.428 39.000 0.048 0.000 0.999 541 F HN 0.220 nan 8.300 nan 0.000 0.475 542 Y N 1.487 121.820 120.300 0.055 0.000 2.145 542 Y HA -0.250 4.299 4.550 -0.001 0.000 0.286 542 Y C 2.203 178.092 175.900 -0.019 0.000 1.145 542 Y CA 1.937 60.036 58.100 -0.002 0.000 1.148 542 Y CB -0.585 37.886 38.460 0.019 0.000 0.981 542 Y HN -0.034 nan 8.280 nan 0.000 0.507 543 D N 0.132 120.556 120.400 0.039 0.000 2.123 543 D HA -0.185 4.455 4.640 -0.001 0.000 0.196 543 D C 1.679 177.922 176.300 -0.096 0.000 0.992 543 D CA 1.691 55.675 54.000 -0.027 0.000 0.833 543 D CB -0.420 40.369 40.800 -0.018 0.000 0.954 543 D HN 0.455 nan 8.370 nan 0.000 0.455 544 D N 0.321 120.686 120.400 -0.058 0.000 2.144 544 D HA -0.080 4.559 4.640 -0.001 0.000 0.199 544 D C 1.990 178.228 176.300 -0.103 0.000 0.984 544 D CA 1.233 55.203 54.000 -0.050 0.000 0.834 544 D CB -0.287 40.520 40.800 0.011 0.000 0.955 544 D HN 0.168 nan 8.370 nan 0.000 0.465 545 A N 0.663 123.387 122.820 -0.159 0.000 1.968 545 A HA 0.090 4.409 4.320 -0.001 0.000 0.217 545 A C 2.247 179.667 177.584 -0.272 0.000 1.169 545 A CA 1.727 53.643 52.037 -0.202 0.000 0.638 545 A CB -0.488 18.394 19.000 -0.197 0.000 0.812 545 A HN 0.219 nan 8.150 nan 0.000 0.446 546 A N 0.176 122.762 122.820 -0.390 0.000 1.929 546 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 546 A C 2.105 179.602 177.584 -0.145 0.000 1.176 546 A CA 1.796 53.655 52.037 -0.296 0.000 0.628 546 A CB -0.404 18.423 19.000 -0.288 0.000 0.816 546 A HN 0.572 nan 8.150 nan 0.000 0.444 547 K N -0.135 120.193 120.400 -0.121 0.000 2.057 547 K HA -0.240 4.080 4.320 -0.001 0.000 0.207 547 K C 2.229 178.783 176.600 -0.078 0.000 1.049 547 K CA 1.769 58.011 56.287 -0.074 0.000 0.931 547 K CB -0.259 32.206 32.500 -0.058 0.000 0.714 547 K HN 0.612 nan 8.250 nan 0.000 0.440 548 Q N -0.158 119.584 119.800 -0.096 0.000 2.119 548 Q HA -0.097 4.242 4.340 -0.001 0.000 0.201 548 Q C 1.923 177.854 176.000 -0.114 0.000 0.972 548 Q CA 1.663 57.408 55.803 -0.096 0.000 0.847 548 Q CB -0.241 28.437 28.738 -0.099 0.000 0.903 548 Q HN 0.483 nan 8.270 nan 0.000 0.433 549 G N 1.454 110.169 108.800 -0.142 0.000 2.402 549 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.216 549 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.216 549 G C 1.421 176.264 174.900 -0.095 0.000 1.162 549 G CA 0.835 45.842 45.100 -0.155 0.000 0.777 549 G HN 0.350 nan 8.290 nan 0.000 0.539 550 K N 0.710 121.069 120.400 -0.068 0.000 2.026 550 K HA 0.007 4.327 4.320 -0.001 0.000 0.208 550 K C 2.794 179.372 176.600 -0.038 0.000 1.048 550 K CA 1.327 57.591 56.287 -0.037 0.000 0.929 550 K CB -0.419 32.067 32.500 -0.023 0.000 0.713 550 K HN 0.160 nan 8.250 nan 0.000 0.439 551 A N 1.394 124.187 122.820 -0.045 0.000 1.884 551 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 551 A C 2.307 179.865 177.584 -0.044 0.000 1.197 551 A CA 2.390 54.402 52.037 -0.041 0.000 0.637 551 A CB -1.087 17.886 19.000 -0.045 0.000 0.827 551 A HN 0.537 nan 8.150 nan 0.000 0.450 552 A N -1.824 120.959 122.820 -0.061 0.000 2.239 552 A HA 0.378 4.698 4.320 -0.001 0.000 0.209 552 A C 1.814 179.368 177.584 -0.050 0.000 1.171 552 A CA 1.294 53.294 52.037 -0.062 0.000 0.768 552 A CB -1.281 17.663 19.000 -0.093 0.000 0.790 552 A HN 2.167 nan 8.150 nan 0.000 0.478 553 G N -1.801 106.976 108.800 -0.039 0.000 2.147 553 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.244 553 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.244 553 G C 0.008 174.895 174.900 -0.021 0.000 1.005 553 G CA 0.202 45.289 45.100 -0.022 0.000 0.713 553 G HN 0.834 nan 8.290 nan 0.000 0.515 554 V N 0.720 120.608 119.914 -0.043 0.000 2.370 554 V HA 0.464 4.584 4.120 -0.001 0.000 0.283 554 V C 0.464 176.563 176.094 0.009 0.000 1.023 554 V CA -0.515 61.767 62.300 -0.030 0.000 0.857 554 V CB 1.599 33.348 31.823 -0.122 0.000 0.985 554 V HN 0.451 nan 8.190 nan 0.000 0.443 555 Q N 4.656 124.490 119.800 0.056 0.000 2.259 555 Q HA 0.709 5.048 4.340 -0.001 0.000 0.249 555 Q C -0.694 175.381 176.000 0.125 0.000 0.914 555 Q CA 0.064 55.911 55.803 0.073 0.000 0.904 555 Q CB 1.837 30.618 28.738 0.072 0.000 1.213 555 Q HN 0.648 nan 8.270 nan 0.000 0.428 556 M N 2.524 122.201 119.600 0.128 0.000 2.386 556 M HA 0.455 4.934 4.480 -0.001 0.000 0.293 556 M C -2.277 174.160 176.300 0.227 0.000 1.120 556 M CA -2.056 53.364 55.300 0.200 0.000 0.909 556 M CB 1.977 34.673 32.600 0.161 0.000 1.661 556 M HN 0.517 nan 8.290 nan 0.000 0.452 557 P HA 0.323 nan 4.420 nan 0.000 0.272 557 P C -0.921 176.581 177.300 0.336 0.000 1.254 557 P CA -0.475 62.777 63.100 0.252 0.000 0.795 557 P CB 0.237 32.072 31.700 0.226 0.000 1.022 558 A N -0.359 122.610 122.820 0.249 0.000 2.287 558 A HA 0.217 4.536 4.320 -0.001 0.000 0.273 558 A C 0.994 178.734 177.584 0.259 0.000 1.091 558 A CA -0.455 51.749 52.037 0.280 0.000 0.817 558 A CB -0.493 18.619 19.000 0.186 0.000 1.069 558 A HN 0.570 nan 8.150 nan 0.000 0.492 559 F N 0.381 120.388 119.950 0.096 0.000 2.087 559 F HA -0.238 4.289 4.527 -0.001 0.000 0.299 559 F C 1.808 177.635 175.800 0.046 0.000 1.100 559 F CA 2.646 60.609 58.000 -0.061 0.000 1.226 559 F CB -0.029 38.960 39.000 -0.019 0.000 0.983 559 F HN 0.709 nan 8.300 nan 0.000 0.479 560 D N -0.099 120.249 120.400 -0.088 0.000 2.144 560 D HA -0.115 4.524 4.640 -0.001 0.000 0.200 560 D C 2.330 178.551 176.300 -0.132 0.000 0.978 560 D CA 1.266 55.152 54.000 -0.191 0.000 0.833 560 D CB -0.232 40.537 40.800 -0.053 0.000 0.961 560 D HN 0.393 nan 8.370 nan 0.000 0.470 561 A N 0.793 123.592 122.820 -0.035 0.000 1.902 561 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 561 A C 2.046 179.596 177.584 -0.056 0.000 1.181 561 A CA 1.029 53.055 52.037 -0.019 0.000 0.623 561 A CB -0.978 18.049 19.000 0.045 0.000 0.818 561 A HN 0.305 nan 8.150 nan 0.000 0.443 562 F N -0.563 119.283 119.950 -0.173 0.000 2.095 562 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 562 F C 2.195 177.844 175.800 -0.251 0.000 1.104 562 F CA 1.793 59.665 58.000 -0.214 0.000 1.232 562 F CB -0.609 38.135 39.000 -0.426 0.000 0.987 562 F HN 0.507 nan 8.300 nan 0.000 0.475 563 W N 1.355 122.023 121.300 -1.054 0.000 2.338 563 W HA -0.243 4.417 4.660 -0.001 0.000 0.304 563 W C 2.359 178.469 176.519 -0.682 0.000 1.212 563 W CA 2.363 59.063 57.345 -1.075 0.000 1.264 563 W CB -0.685 28.196 29.460 -0.965 0.000 1.142 563 W HN 0.251 nan 8.180 nan 0.000 0.512 564 A N 0.758 123.386 122.820 -0.320 0.000 1.858 564 A HA -0.259 4.060 4.320 -0.001 0.000 0.216 564 A C 1.755 179.145 177.584 -0.323 0.000 1.190 564 A CA 2.093 53.980 52.037 -0.250 0.000 0.617 564 A CB -1.090 17.829 19.000 -0.135 0.000 0.827 564 A HN 0.435 nan 8.150 nan 0.000 0.443 565 E N -1.871 118.144 120.200 -0.308 0.000 2.153 565 E HA 0.123 4.472 4.350 -0.001 0.000 0.194 565 E C 1.435 177.791 176.600 -0.407 0.000 0.988 565 E CA 0.688 56.927 56.400 -0.268 0.000 0.811 565 E CB -0.222 29.381 29.700 -0.161 0.000 0.746 565 E HN 0.834 nan 8.360 nan 0.000 0.466 566 G N 0.964 109.347 108.800 -0.696 0.000 2.195 566 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.246 566 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.246 566 G C 0.158 174.682 174.900 -0.627 0.000 0.984 566 G CA 0.296 44.905 45.100 -0.818 0.000 0.633 566 G HN 0.328 nan 8.290 nan 0.000 0.525 567 I N -0.633 119.723 120.570 -0.357 0.000 2.882 567 I HA 0.541 4.711 4.170 -0.001 0.000 0.298 567 I C -1.511 174.671 176.117 0.108 0.000 1.462 567 I CA -1.089 60.175 61.300 -0.061 0.000 1.000 567 I CB 2.088 39.978 38.000 -0.182 0.000 1.340 567 I HN 0.042 nan 8.210 nan 0.000 0.462 568 V N 5.277 125.257 119.914 0.111 0.000 2.525 568 V HA 0.469 4.589 4.120 -0.001 0.000 0.299 568 V C -0.557 175.339 176.094 -0.329 0.000 1.034 568 V CA -0.570 61.727 62.300 -0.005 0.000 0.863 568 V CB 1.720 33.584 31.823 0.070 0.000 0.999 568 V HN 0.685 nan 8.190 nan 0.000 0.423 569 E N 3.131 123.196 120.200 -0.225 0.000 2.222 569 E HA 0.676 5.025 4.350 -0.001 0.000 0.272 569 E C -1.464 175.016 176.600 -0.200 0.000 0.982 569 E CA -0.487 55.758 56.400 -0.259 0.000 0.842 569 E CB 1.779 31.475 29.700 -0.007 0.000 1.144 569 E HN 0.488 nan 8.360 nan 0.000 0.397 570 F N 1.568 121.573 119.950 0.091 0.000 2.523 570 F HA 0.426 4.952 4.527 -0.001 0.000 0.329 570 F C -1.939 173.902 175.800 0.068 0.000 1.061 570 F CA -2.783 55.258 58.000 0.069 0.000 0.967 570 F CB 0.575 39.607 39.000 0.052 0.000 1.218 570 F HN 0.245 nan 8.300 nan 0.000 0.480 571 P HA 0.310 nan 4.420 nan 0.000 0.282 571 P C -0.977 176.406 177.300 0.138 0.000 1.249 571 P CA -0.339 62.859 63.100 0.163 0.000 0.806 571 P CB 1.588 33.362 31.700 0.124 0.000 0.984 572 V N 2.983 122.967 119.914 0.117 0.000 2.406 572 V HA 0.151 4.270 4.120 -0.001 0.000 0.272 572 V C 1.585 177.727 176.094 0.080 0.000 1.043 572 V CA 0.370 62.731 62.300 0.101 0.000 0.915 572 V CB 0.409 32.295 31.823 0.105 0.000 0.988 572 V HN 0.853 nan 8.190 nan 0.000 0.466 573 T N 1.337 115.931 114.554 0.066 0.000 3.608 573 T HA 0.055 4.404 4.350 -0.001 0.000 0.213 573 T C 0.989 175.726 174.700 0.061 0.000 0.897 573 T CA 0.688 62.822 62.100 0.056 0.000 1.533 573 T CB -0.177 68.715 68.868 0.041 0.000 1.504 573 T HN 0.607 nan 8.240 nan 0.000 0.446 574 D N 0.854 121.289 120.400 0.059 0.000 2.363 574 D HA 0.260 4.899 4.640 -0.001 0.000 0.214 574 D C 1.966 178.322 176.300 0.094 0.000 1.093 574 D CA 0.241 54.285 54.000 0.073 0.000 0.837 574 D CB -0.767 40.075 40.800 0.069 0.000 0.948 574 D HN 0.582 nan 8.370 nan 0.000 0.507 575 G N 0.953 109.804 108.800 0.086 0.000 2.475 575 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.220 575 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.220 575 G C 1.538 176.523 174.900 0.143 0.000 1.125 575 G CA 0.862 46.020 45.100 0.097 0.000 0.755 575 G HN 0.477 nan 8.290 nan 0.000 0.565 576 A N 0.092 122.992 122.820 0.132 0.000 2.206 576 A HA 0.129 4.448 4.320 -0.001 0.000 0.211 576 A C 1.647 179.313 177.584 0.137 0.000 1.158 576 A CA 1.231 53.353 52.037 0.142 0.000 0.761 576 A CB 0.011 19.086 19.000 0.126 0.000 0.801 576 A HN 0.273 nan 8.150 nan 0.000 0.473 577 D N -1.320 119.160 120.400 0.133 0.000 2.340 577 D HA 0.102 4.741 4.640 -0.001 0.000 0.217 577 D C -0.261 176.112 176.300 0.121 0.000 1.081 577 D CA -0.203 53.860 54.000 0.105 0.000 0.842 577 D CB -0.017 40.834 40.800 0.084 0.000 0.934 577 D HN 0.403 nan 8.370 nan 0.000 0.511 578 F N 2.102 122.063 119.950 0.018 0.000 2.578 578 F HA 0.069 4.596 4.527 -0.001 0.000 0.381 578 F C -0.167 175.623 175.800 -0.017 0.000 1.069 578 F CA -0.097 57.900 58.000 -0.004 0.000 1.231 578 F CB 0.564 39.556 39.000 -0.014 0.000 1.086 578 F HN -0.359 nan 8.300 nan 0.000 0.564 579 V N 7.852 127.181 119.914 -0.974 0.000 2.443 579 V HA 0.334 4.454 4.120 -0.001 0.000 0.293 579 V C 0.073 175.556 176.094 -1.018 0.000 1.021 579 V CA -1.010 60.851 62.300 -0.731 0.000 0.848 579 V CB 1.401 33.024 31.823 -0.334 0.000 0.998 579 V HN 0.716 nan 8.190 nan 0.000 0.424 580 R N 3.214 123.235 120.500 -0.798 0.000 2.537 580 R HA 0.195 4.534 4.340 -0.001 0.000 0.280 580 R C 0.033 176.216 176.300 -0.194 0.000 1.058 580 R CA 0.320 56.103 56.100 -0.528 0.000 1.057 580 R CB 0.086 30.223 30.300 -0.271 0.000 0.973 580 R HN 0.719 nan 8.270 nan 0.000 0.438 581 Y N 0.340 120.559 120.300 -0.135 0.000 4.881 581 Y HA -0.359 4.190 4.550 -0.001 0.000 0.241 581 Y C 1.304 177.240 175.900 0.060 0.000 0.985 581 Y CA 0.864 58.971 58.100 0.012 0.000 1.976 581 Y CB -2.084 36.394 38.460 0.031 0.000 1.528 581 Y HN 0.803 nan 8.280 nan 0.000 0.581 582 A N 0.232 123.077 122.820 0.042 0.000 1.883 582 A HA -0.232 4.088 4.320 -0.001 0.000 0.217 582 A C 2.320 179.956 177.584 0.086 0.000 1.186 582 A CA 2.623 54.675 52.037 0.025 0.000 0.624 582 A CB -0.971 17.990 19.000 -0.065 0.000 0.822 582 A HN 0.844 nan 8.150 nan 0.000 0.444 583 S N -1.403 114.357 115.700 0.100 0.000 2.423 583 S HA -0.137 4.333 4.470 -0.001 0.000 0.231 583 S C 1.798 176.520 174.600 0.204 0.000 1.014 583 S CA 1.333 59.607 58.200 0.123 0.000 0.965 583 S CB -0.647 62.615 63.200 0.103 0.000 0.785 583 S HN 0.577 nan 8.310 nan 0.000 0.495 584 F N 2.701 122.736 119.950 0.142 0.000 2.146 584 F HA 0.165 4.691 4.527 -0.001 0.000 0.298 584 F C 2.572 178.526 175.800 0.257 0.000 1.096 584 F CA 1.330 59.459 58.000 0.215 0.000 1.275 584 F CB -0.392 38.795 39.000 0.312 0.000 1.008 584 F HN 0.123 nan 8.300 nan 0.000 0.480 585 R N 0.402 120.957 120.500 0.093 0.000 2.092 585 R HA -0.154 4.185 4.340 -0.001 0.000 0.231 585 R C 2.328 178.638 176.300 0.017 0.000 1.119 585 R CA 1.564 57.600 56.100 -0.106 0.000 0.970 585 R CB -0.468 29.793 30.300 -0.066 0.000 0.864 585 R HN 0.390 nan 8.270 nan 0.000 0.440 586 E N -0.295 119.933 120.200 0.047 0.000 2.110 586 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 586 E C -0.331 176.295 176.600 0.044 0.000 0.988 586 E CA 0.952 57.380 56.400 0.047 0.000 0.804 586 E CB 0.266 29.994 29.700 0.046 0.000 0.745 586 E HN 0.177 nan 8.360 nan 0.000 0.458 587 D N -1.834 118.587 120.400 0.036 0.000 2.362 587 D HA 0.044 4.683 4.640 -0.001 0.000 0.228 587 D C -2.278 174.014 176.300 -0.014 0.000 1.326 587 D CA -1.105 52.897 54.000 0.003 0.000 0.927 587 D CB 1.224 42.032 40.800 0.013 0.000 1.501 587 D HN -0.138 nan 8.370 nan 0.000 0.519 588 P HA -0.072 nan 4.420 nan 0.000 0.220 588 P C 1.763 179.057 177.300 -0.009 0.000 1.148 588 P CA 0.407 63.414 63.100 -0.155 0.000 0.803 588 P CB 0.744 32.158 31.700 -0.476 0.000 0.782 589 L N -1.577 119.622 121.223 -0.040 0.000 2.131 589 L HA -0.048 4.292 4.340 -0.001 0.000 0.206 589 L C 2.530 179.416 176.870 0.026 0.000 1.087 589 L CA 0.910 55.746 54.840 -0.008 0.000 0.767 589 L CB -1.034 41.007 42.059 -0.030 0.000 0.917 589 L HN 0.003 nan 8.230 nan 0.000 0.441 590 L N -0.144 121.095 121.223 0.027 0.000 2.240 590 L HA 0.018 4.357 4.340 -0.001 0.000 0.211 590 L C 0.819 177.731 176.870 0.069 0.000 1.106 590 L CA 1.402 56.265 54.840 0.039 0.000 0.793 590 L CB -0.119 41.958 42.059 0.030 0.000 0.927 590 L HN 0.265 nan 8.230 nan 0.000 0.446 591 N N 0.525 119.291 118.700 0.110 0.000 2.723 591 N HA 0.278 5.017 4.740 -0.001 0.000 0.290 591 N C -2.628 173.049 175.510 0.279 0.000 1.882 591 N CA -0.944 52.206 53.050 0.165 0.000 0.851 591 N CB 0.726 39.320 38.487 0.178 0.000 1.234 591 N HN 0.178 nan 8.380 nan 0.000 0.491 592 P HA 0.141 nan 4.420 nan 0.000 0.272 592 P C 0.403 177.808 177.300 0.175 0.000 1.230 592 P CA -0.225 63.030 63.100 0.258 0.000 0.788 592 P CB 1.494 33.280 31.700 0.144 0.000 0.949 593 L N 0.741 122.027 121.223 0.104 0.000 2.475 593 L HA 0.262 4.602 4.340 -0.001 0.000 0.253 593 L C 2.144 179.018 176.870 0.007 0.000 1.198 593 L CA -0.194 54.630 54.840 -0.027 0.000 0.814 593 L CB -0.253 41.714 42.059 -0.154 0.000 1.134 593 L HN 0.490 nan 8.230 nan 0.000 0.478 594 G N -0.411 108.380 108.800 -0.015 0.000 3.155 594 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.213 594 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.213 594 G C 0.604 175.488 174.900 -0.026 0.000 1.196 594 G CA 0.137 45.225 45.100 -0.019 0.000 0.846 594 G HN 0.671 nan 8.290 nan 0.000 0.516 595 T N -2.580 111.965 114.554 -0.015 0.000 2.874 595 T HA 0.406 4.755 4.350 -0.001 0.000 0.281 595 T C -1.287 173.420 174.700 0.010 0.000 0.994 595 T CA -1.536 60.559 62.100 -0.010 0.000 1.015 595 T CB 1.984 70.856 68.868 0.006 0.000 1.028 595 T HN -0.165 nan 8.240 nan 0.000 0.523 596 P HA -0.134 nan 4.420 nan 0.000 0.216 596 P C 1.763 179.083 177.300 0.033 0.000 1.153 596 P CA 1.651 64.764 63.100 0.022 0.000 0.858 596 P CB -0.273 31.443 31.700 0.027 0.000 0.789 597 T N -5.660 108.922 114.554 0.048 0.000 3.067 597 T HA 0.241 4.590 4.350 -0.001 0.000 0.261 597 T C 1.636 176.374 174.700 0.062 0.000 1.110 597 T CA 0.761 62.893 62.100 0.054 0.000 1.113 597 T CB -0.872 68.038 68.868 0.069 0.000 0.917 597 T HN 0.264 nan 8.240 nan 0.000 0.499 598 G N 0.908 109.748 108.800 0.067 0.000 2.179 598 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.260 598 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.260 598 G C -0.093 174.904 174.900 0.161 0.000 0.977 598 G CA 0.371 45.528 45.100 0.095 0.000 0.641 598 G HN 0.633 nan 8.290 nan 0.000 0.533 599 L N -0.251 121.057 121.223 0.142 0.000 2.271 599 L HA 0.660 5.000 4.340 -0.001 0.000 0.265 599 L C 0.924 177.870 176.870 0.127 0.000 1.013 599 L CA -1.594 53.372 54.840 0.210 0.000 0.820 599 L CB 1.333 43.497 42.059 0.175 0.000 1.352 599 L HN -0.029 nan 8.230 nan 0.000 0.443 600 I N 1.092 121.764 120.570 0.169 0.000 2.517 600 I HA 0.009 4.178 4.170 -0.001 0.000 0.285 600 I C 0.112 176.323 176.117 0.156 0.000 1.106 600 I CA 0.331 61.706 61.300 0.125 0.000 1.402 600 I CB 0.195 38.304 38.000 0.181 0.000 1.399 600 I HN 0.482 nan 8.210 nan 0.000 0.535 601 E N 7.099 127.384 120.200 0.142 0.000 1.993 601 E HA 0.222 4.571 4.350 -0.001 0.000 0.271 601 E C 0.761 177.556 176.600 0.325 0.000 1.008 601 E CA -0.205 56.313 56.400 0.195 0.000 0.814 601 E CB 1.096 30.878 29.700 0.136 0.000 1.098 601 E HN 0.625 nan 8.360 nan 0.000 0.407 602 I N 1.858 122.608 120.570 0.300 0.000 2.286 602 I HA -0.172 3.997 4.170 -0.001 0.000 0.245 602 I C 0.658 176.950 176.117 0.292 0.000 1.104 602 I CA 1.008 62.451 61.300 0.238 0.000 1.397 602 I CB 0.109 38.187 38.000 0.131 0.000 1.072 602 I HN 0.430 nan 8.210 nan 0.000 0.417 603 Y N 0.860 121.293 120.300 0.222 0.000 2.335 603 Y HA 0.409 4.958 4.550 -0.001 0.000 0.338 603 Y C -0.057 175.989 175.900 0.244 0.000 0.977 603 Y CA -0.895 57.349 58.100 0.240 0.000 1.114 603 Y CB 1.549 40.105 38.460 0.160 0.000 1.182 603 Y HN -0.222 nan 8.280 nan 0.000 0.463 604 S N 5.849 121.484 115.700 -0.108 0.000 2.530 604 S HA 0.322 4.792 4.470 -0.001 0.000 0.322 604 S C 0.436 174.955 174.600 -0.135 0.000 1.085 604 S CA -0.720 57.458 58.200 -0.035 0.000 1.096 604 S CB 0.751 63.908 63.200 -0.073 0.000 0.988 604 S HN 0.931 nan 8.310 nan 0.000 0.466 605 K N 3.400 123.841 120.400 0.068 0.000 2.147 605 K HA -0.069 4.250 4.320 -0.001 0.000 0.205 605 K C 1.842 178.433 176.600 -0.016 0.000 1.049 605 K CA 0.896 57.242 56.287 0.099 0.000 0.936 605 K CB -0.089 32.493 32.500 0.137 0.000 0.722 605 K HN 0.575 nan 8.250 nan 0.000 0.446 606 N N 1.059 119.730 118.700 -0.048 0.000 2.120 606 N HA -0.121 4.618 4.740 -0.001 0.000 0.188 606 N C 1.811 177.195 175.510 -0.210 0.000 1.024 606 N CA 1.156 54.149 53.050 -0.096 0.000 0.852 606 N CB 0.019 38.477 38.487 -0.048 0.000 1.003 606 N HN 0.152 nan 8.380 nan 0.000 0.424 607 I N 1.103 121.502 120.570 -0.285 0.000 2.353 607 I HA -0.177 3.992 4.170 -0.001 0.000 0.248 607 I C 2.475 178.427 176.117 -0.275 0.000 1.119 607 I CA 0.672 61.761 61.300 -0.352 0.000 1.417 607 I CB -0.244 37.541 38.000 -0.358 0.000 1.078 607 I HN 0.222 nan 8.210 nan 0.000 0.421 608 E N 1.742 121.813 120.200 -0.215 0.000 2.049 608 E HA -0.305 4.044 4.350 -0.001 0.000 0.198 608 E C 2.046 178.564 176.600 -0.136 0.000 1.007 608 E CA 1.733 58.047 56.400 -0.143 0.000 0.809 608 E CB 0.064 29.748 29.700 -0.027 0.000 0.749 608 E HN 0.355 nan 8.360 nan 0.000 0.450 609 K N -0.268 120.053 120.400 -0.131 0.000 2.209 609 K HA -0.112 4.207 4.320 -0.001 0.000 0.204 609 K C 2.086 178.554 176.600 -0.220 0.000 1.048 609 K CA 1.515 57.721 56.287 -0.135 0.000 0.940 609 K CB -0.060 32.378 32.500 -0.103 0.000 0.729 609 K HN 0.267 nan 8.250 nan 0.000 0.451 610 M N -0.770 118.618 119.600 -0.352 0.000 2.254 610 M HA 0.032 4.512 4.480 -0.001 0.000 0.265 610 M C 1.106 177.066 176.300 -0.566 0.000 1.066 610 M CA 1.141 56.084 55.300 -0.596 0.000 1.123 610 M CB -0.137 31.830 32.600 -1.055 0.000 1.388 610 M HN 0.299 nan 8.290 nan 0.000 0.425 611 G N 0.921 109.503 108.800 -0.365 0.000 2.314 611 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.292 611 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.292 611 G C -0.756 174.106 174.900 -0.063 0.000 1.059 611 G CA -0.275 44.718 45.100 -0.177 0.000 0.982 611 G HN 0.364 nan 8.290 nan 0.000 0.505 612 Y N 0.669 120.934 120.300 -0.057 0.000 2.327 612 Y HA 0.274 4.823 4.550 -0.001 0.000 0.336 612 Y C 1.692 177.566 175.900 -0.043 0.000 1.035 612 Y CA -1.635 56.440 58.100 -0.042 0.000 1.165 612 Y CB 1.054 39.486 38.460 -0.047 0.000 1.181 612 Y HN 0.393 nan 8.280 nan 0.000 0.494 613 D N 0.586 121.070 120.400 0.139 0.000 2.219 613 D HA -0.171 4.469 4.640 -0.001 0.000 0.205 613 D C 0.378 176.695 176.300 0.029 0.000 0.970 613 D CA 1.340 55.373 54.000 0.054 0.000 0.851 613 D CB -0.054 40.775 40.800 0.047 0.000 0.943 613 D HN 0.646 nan 8.370 nan 0.000 0.488 614 D N -0.465 119.973 120.400 0.063 0.000 2.340 614 D HA 0.045 4.684 4.640 -0.001 0.000 0.217 614 D C -0.144 176.197 176.300 0.067 0.000 1.081 614 D CA -0.584 53.458 54.000 0.070 0.000 0.842 614 D CB -0.508 40.372 40.800 0.134 0.000 0.934 614 D HN 0.122 nan 8.370 nan 0.000 0.511 615 C N 1.762 121.105 119.300 0.071 0.000 3.384 615 C HA 0.401 4.860 4.460 -0.001 0.000 0.294 615 C C -2.646 172.364 174.990 0.034 0.000 1.062 615 C CA -1.481 57.586 59.018 0.081 0.000 1.325 615 C CB -0.332 27.492 27.740 0.140 0.000 1.793 615 C HN 0.082 nan 8.230 nan 0.000 0.563 616 P HA 0.236 nan 4.420 nan 0.000 0.274 616 P C 0.381 177.583 177.300 -0.164 0.000 1.260 616 P CA 0.133 63.122 63.100 -0.184 0.000 0.793 616 P CB 0.730 32.211 31.700 -0.365 0.000 1.048 617 A N -0.214 122.436 122.820 -0.283 0.000 2.238 617 A HA 0.077 4.396 4.320 -0.001 0.000 0.208 617 A C 0.431 177.804 177.584 -0.352 0.000 1.177 617 A CA 0.818 52.657 52.037 -0.332 0.000 0.804 617 A CB -1.341 17.267 19.000 -0.652 0.000 0.823 617 A HN 0.815 nan 8.150 nan 0.000 0.482 618 H N -3.779 115.032 119.070 -0.432 0.000 3.016 618 H HA 0.610 5.165 4.556 -0.001 0.000 0.362 618 H C -3.472 171.245 175.328 -1.018 0.000 1.233 618 H CA -2.754 52.857 56.048 -0.728 0.000 1.124 618 H CB 0.380 30.031 29.762 -0.185 0.000 1.850 618 H HN -0.152 nan 8.280 nan 0.000 0.549 619 P HA 0.108 nan 4.420 nan 0.000 0.262 619 P C -0.636 176.553 177.300 -0.184 0.000 1.182 619 P CA 0.270 62.942 63.100 -0.712 0.000 0.761 619 P CB 0.530 31.829 31.700 -0.669 0.000 0.795 620 T N 3.448 117.884 114.554 -0.197 0.000 2.933 620 T HA 0.229 4.578 4.350 -0.001 0.000 0.305 620 T C -1.122 173.638 174.700 0.099 0.000 1.092 620 T CA -0.536 61.471 62.100 -0.156 0.000 1.008 620 T CB 1.252 69.859 68.868 -0.434 0.000 1.102 620 T HN 0.443 nan 8.240 nan 0.000 0.469 621 W N 5.489 126.901 121.300 0.186 0.000 2.311 621 W HA 0.615 5.274 4.660 -0.001 0.000 0.310 621 W C -1.563 174.993 176.519 0.061 0.000 1.274 621 W CA -0.494 56.966 57.345 0.191 0.000 1.215 621 W CB 0.339 30.052 29.460 0.421 0.000 1.227 621 W HN 0.564 nan 8.180 nan 0.000 0.523 622 M N 4.667 123.603 119.600 -1.108 0.000 2.501 622 M HA 0.155 4.634 4.480 -0.001 0.000 0.293 622 M C -0.218 175.407 176.300 -1.124 0.000 1.192 622 M CA -0.788 53.937 55.300 -0.959 0.000 0.886 622 M CB 2.590 34.586 32.600 -1.007 0.000 1.710 622 M HN 0.253 nan 8.290 nan 0.000 0.457 623 E N 3.708 123.569 120.200 -0.565 0.000 2.338 623 E HA 0.293 4.642 4.350 -0.001 0.000 0.272 623 E C -2.309 174.252 176.600 -0.066 0.000 1.029 623 E CA -1.249 54.983 56.400 -0.281 0.000 0.872 623 E CB 0.460 30.155 29.700 -0.008 0.000 1.015 623 E HN 0.306 nan 8.360 nan 0.000 0.417 624 P HA 0.041 nan 4.420 nan 0.000 0.278 624 P C 1.005 178.471 177.300 0.278 0.000 1.266 624 P CA -0.564 62.650 63.100 0.190 0.000 0.807 624 P CB 0.935 32.728 31.700 0.156 0.000 1.094 625 L N -0.120 121.338 121.223 0.392 0.000 2.034 625 L HA -0.168 4.171 4.340 -0.001 0.000 0.217 625 L C 0.759 177.691 176.870 0.104 0.000 1.077 625 L CA 2.098 57.013 54.840 0.125 0.000 0.769 625 L CB -0.831 41.176 42.059 -0.087 0.000 0.890 625 L HN 0.665 nan 8.230 nan 0.000 0.435 626 E N -1.215 119.056 120.200 0.118 0.000 2.321 626 E HA 0.521 4.870 4.350 -0.001 0.000 0.281 626 E C -0.907 175.787 176.600 0.157 0.000 0.910 626 E CA -0.940 55.532 56.400 0.120 0.000 0.770 626 E CB 1.358 31.119 29.700 0.101 0.000 1.225 626 E HN 0.401 nan 8.360 nan 0.000 0.417 627 R N 1.553 122.151 120.500 0.164 0.000 2.707 627 R HA 0.465 4.804 4.340 -0.001 0.000 0.272 627 R C -1.375 175.022 176.300 0.161 0.000 1.011 627 R CA -1.153 55.062 56.100 0.191 0.000 0.893 627 R CB 1.090 31.511 30.300 0.201 0.000 1.233 627 R HN 0.485 nan 8.270 nan 0.000 0.464 628 L N 3.568 124.892 121.223 0.168 0.000 2.660 628 L HA 0.077 4.416 4.340 -0.001 0.000 0.272 628 L C -0.407 176.510 176.870 0.078 0.000 1.194 628 L CA 1.350 56.264 54.840 0.123 0.000 0.945 628 L CB -0.471 41.654 42.059 0.110 0.000 1.212 628 L HN 0.855 nan 8.230 nan 0.000 0.490 629 D N 2.309 122.747 120.400 0.064 0.000 2.945 629 D HA -0.170 4.470 4.640 -0.001 0.000 0.225 629 D C 0.523 176.853 176.300 0.050 0.000 1.158 629 D CA 1.184 55.208 54.000 0.040 0.000 0.805 629 D CB -1.472 39.337 40.800 0.014 0.000 1.098 629 D HN 0.854 nan 8.370 nan 0.000 0.426 630 G N 0.390 109.237 108.800 0.078 0.000 2.539 630 G HA2 0.477 4.436 3.960 -0.001 0.000 0.258 630 G HA3 0.477 4.436 3.960 -0.001 0.000 0.258 630 G C -2.283 172.661 174.900 0.074 0.000 1.202 630 G CA -0.913 44.245 45.100 0.096 0.000 0.851 630 G HN -0.090 nan 8.290 nan 0.000 0.556 631 P HA 0.159 nan 4.420 nan 0.000 0.263 631 P C 0.935 178.266 177.300 0.051 0.000 1.195 631 P CA 1.146 64.281 63.100 0.058 0.000 0.762 631 P CB 0.804 32.544 31.700 0.067 0.000 0.799 632 G N 2.308 111.128 108.800 0.034 0.000 2.168 632 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.257 632 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.257 632 G C 0.481 175.393 174.900 0.021 0.000 0.997 632 G CA 0.042 45.156 45.100 0.023 0.000 0.708 632 G HN 0.887 nan 8.290 nan 0.000 0.520 633 A N -0.379 122.460 122.820 0.032 0.000 2.540 633 A HA 0.547 4.866 4.320 -0.001 0.000 0.239 633 A C 1.348 178.926 177.584 -0.011 0.000 1.061 633 A CA 1.484 53.544 52.037 0.038 0.000 0.758 633 A CB 0.362 19.399 19.000 0.062 0.000 0.991 633 A HN 0.646 nan 8.150 nan 0.000 0.502 634 K N 1.342 121.718 120.400 -0.039 0.000 2.166 634 K HA 0.049 4.368 4.320 -0.001 0.000 0.201 634 K C -0.563 175.834 176.600 -0.338 0.000 1.052 634 K CA 0.706 56.858 56.287 -0.225 0.000 0.969 634 K CB -0.037 32.258 32.500 -0.341 0.000 0.761 634 K HN 0.728 nan 8.250 nan 0.000 0.459 635 Y N 0.132 120.434 120.300 0.003 0.000 2.496 635 Y HA 0.242 4.792 4.550 -0.001 0.000 0.331 635 Y C -1.668 174.231 175.900 -0.003 0.000 1.140 635 Y CA -2.325 55.765 58.100 -0.016 0.000 1.166 635 Y CB 1.453 39.885 38.460 -0.047 0.000 1.249 635 Y HN 0.022 nan 8.280 nan 0.000 0.479 636 P HA 0.117 nan 4.420 nan 0.000 0.245 636 P C -0.580 176.770 177.300 0.084 0.000 1.199 636 P CA 0.811 63.963 63.100 0.086 0.000 0.807 636 P CB 1.150 32.886 31.700 0.060 0.000 1.002 637 L N -0.023 121.250 121.223 0.083 0.000 2.346 637 L HA 0.467 4.806 4.340 -0.001 0.000 0.276 637 L C 0.171 177.084 176.870 0.072 0.000 1.006 637 L CA -1.206 53.676 54.840 0.071 0.000 0.817 637 L CB 1.549 43.630 42.059 0.037 0.000 1.272 637 L HN -0.112 nan 8.230 nan 0.000 0.421 638 H N 3.027 122.121 119.070 0.040 0.000 2.646 638 H HA 0.420 4.975 4.556 -0.001 0.000 0.325 638 H C -0.606 174.744 175.328 0.038 0.000 1.075 638 H CA -0.095 55.981 56.048 0.047 0.000 1.421 638 H CB 0.756 30.555 29.762 0.062 0.000 1.461 638 H HN 0.414 nan 8.280 nan 0.000 0.525 639 I N 4.772 125.097 120.570 -0.408 0.000 2.312 639 I HA 0.214 4.383 4.170 -0.001 0.000 0.291 639 I C 0.202 176.261 176.117 -0.096 0.000 1.031 639 I CA -0.698 60.494 61.300 -0.180 0.000 1.293 639 I CB 1.224 39.136 38.000 -0.147 0.000 1.403 639 I HN 0.724 nan 8.210 nan 0.000 0.484 640 A N 6.159 129.060 122.820 0.134 0.000 2.805 640 A HA 0.488 4.807 4.320 -0.001 0.000 0.301 640 A C 0.894 178.585 177.584 0.178 0.000 1.557 640 A CA -0.353 51.826 52.037 0.236 0.000 1.254 640 A CB -0.341 18.795 19.000 0.227 0.000 1.114 640 A HN 0.838 nan 8.150 nan 0.000 0.553 641 A N 2.904 125.824 122.820 0.166 0.000 3.077 641 A HA 0.481 4.800 4.320 -0.001 0.000 0.255 641 A C 1.058 178.808 177.584 0.277 0.000 1.728 641 A CA 0.291 52.434 52.037 0.176 0.000 1.383 641 A CB -1.000 18.063 19.000 0.105 0.000 1.097 641 A HN 1.116 nan 8.150 nan 0.000 0.634 642 S N -0.065 115.856 115.700 0.369 0.000 2.738 642 S HA 0.422 4.891 4.470 -0.001 0.000 0.284 642 S C 0.012 174.913 174.600 0.501 0.000 1.146 642 S CA -0.653 57.823 58.200 0.461 0.000 0.997 642 S CB 0.190 63.630 63.200 0.399 0.000 1.081 642 S HN 0.605 nan 8.310 nan 0.000 0.553 643 H N 2.201 121.362 119.070 0.152 0.000 2.803 643 H HA 0.247 4.802 4.556 -0.001 0.000 0.330 643 H C -2.089 172.979 175.328 -0.433 0.000 1.057 643 H CA -1.503 54.528 56.048 -0.028 0.000 1.458 643 H CB 0.350 30.098 29.762 -0.023 0.000 1.470 643 H HN 0.511 nan 8.280 nan 0.000 0.560 644 P HA -0.124 nan 4.420 nan 0.000 0.268 644 P C 0.244 177.224 177.300 -0.535 0.000 1.205 644 P CA 0.225 62.786 63.100 -0.897 0.000 0.771 644 P CB 0.736 32.240 31.700 -0.326 0.000 0.858 645 F N 2.792 122.363 119.950 -0.632 0.000 2.234 645 F HA 0.010 4.537 4.527 -0.001 0.000 0.296 645 F C 1.524 177.280 175.800 -0.072 0.000 1.089 645 F CA 1.400 59.274 58.000 -0.209 0.000 1.343 645 F CB 0.121 39.089 39.000 -0.053 0.000 1.040 645 F HN 0.255 nan 8.300 nan 0.000 0.498 646 N N 0.356 119.148 118.700 0.154 0.000 2.282 646 N HA 0.187 4.926 4.740 -0.001 0.000 0.240 646 N C -0.556 175.057 175.510 0.172 0.000 1.182 646 N CA 0.104 53.282 53.050 0.213 0.000 0.874 646 N CB 0.686 39.357 38.487 0.305 0.000 1.126 646 N HN 0.214 nan 8.380 nan 0.000 0.516 647 R N 0.153 120.711 120.500 0.098 0.000 2.799 647 R HA 0.406 4.746 4.340 -0.001 0.000 0.270 647 R C -1.201 175.182 176.300 0.138 0.000 1.010 647 R CA -0.911 55.290 56.100 0.169 0.000 0.916 647 R CB 1.828 32.207 30.300 0.132 0.000 1.228 647 R HN -0.078 nan 8.270 nan 0.000 0.469 648 L N 2.921 124.287 121.223 0.239 0.000 2.297 648 L HA 0.311 4.650 4.340 -0.001 0.000 0.277 648 L C 0.140 176.973 176.870 -0.061 0.000 1.040 648 L CA 0.390 55.185 54.840 -0.075 0.000 0.867 648 L CB -0.538 41.422 42.059 -0.165 0.000 1.244 648 L HN 0.668 nan 8.230 nan 0.000 0.433 649 H N 1.679 120.715 119.070 -0.057 0.000 1.452 649 H HA -0.287 4.268 4.556 -0.001 0.000 0.090 649 H C 1.421 176.831 175.328 0.136 0.000 0.620 649 H CA 1.867 57.899 56.048 -0.027 0.000 1.901 649 H CB -1.657 28.083 29.762 -0.036 0.000 2.257 649 H HN 0.688 nan 8.280 nan 0.000 0.961 650 S N 2.802 118.751 115.700 0.414 0.000 2.548 650 S HA 0.084 4.553 4.470 -0.001 0.000 0.215 650 S C 0.535 175.467 174.600 0.554 0.000 0.976 650 S CA 0.223 58.734 58.200 0.518 0.000 0.908 650 S CB 0.258 63.821 63.200 0.605 0.000 0.781 650 S HN 0.429 nan 8.310 nan 0.000 0.519 651 Q N 1.182 121.259 119.800 0.463 0.000 2.337 651 Q HA 0.413 4.753 4.340 -0.001 0.000 0.270 651 Q C 0.186 176.417 176.000 0.385 0.000 1.002 651 Q CA 0.374 56.469 55.803 0.486 0.000 0.888 651 Q CB 0.409 29.496 28.738 0.583 0.000 1.222 651 Q HN 0.475 nan 8.270 nan 0.000 0.400 652 L N 0.286 121.681 121.223 0.287 0.000 4.692 652 L HA -0.285 4.054 4.340 -0.001 0.000 0.400 652 L C 1.147 177.998 176.870 -0.032 0.000 0.912 652 L CA 0.037 54.943 54.840 0.111 0.000 1.662 652 L CB -1.457 40.646 42.059 0.074 0.000 1.814 652 L HN 0.645 nan 8.230 nan 0.000 0.580 653 N N 1.727 120.328 118.700 -0.165 0.000 2.188 653 N HA -0.033 4.706 4.740 -0.001 0.000 0.184 653 N C 1.389 176.456 175.510 -0.737 0.000 1.018 653 N CA 1.764 54.525 53.050 -0.481 0.000 0.858 653 N CB 0.048 37.975 38.487 -0.934 0.000 0.989 653 N HN 0.485 nan 8.380 nan 0.000 0.426 654 G N 0.148 108.500 108.800 -0.747 0.000 3.717 654 G HA2 0.292 4.252 3.960 -0.001 0.000 0.258 654 G HA3 0.292 4.252 3.960 -0.001 0.000 0.258 654 G C -0.216 174.578 174.900 -0.177 0.000 1.088 654 G CA 0.134 44.983 45.100 -0.418 0.000 1.737 654 G HN 0.404 nan 8.290 nan 0.000 0.648 655 T N -3.645 110.756 114.554 -0.256 0.000 2.778 655 T HA 0.376 4.726 4.350 -0.001 0.000 0.293 655 T C 1.383 175.945 174.700 -0.230 0.000 1.144 655 T CA 0.138 62.136 62.100 -0.170 0.000 1.010 655 T CB 1.307 70.101 68.868 -0.123 0.000 1.325 655 T HN 0.423 nan 8.240 nan 0.000 0.515 656 V N 0.029 119.834 119.914 -0.181 0.000 2.759 656 V HA 0.033 4.153 4.120 -0.001 0.000 0.256 656 V C 2.374 178.337 176.094 -0.218 0.000 1.080 656 V CA 1.169 63.355 62.300 -0.189 0.000 1.101 656 V CB -1.580 30.155 31.823 -0.146 0.000 0.698 656 V HN 0.779 nan 8.190 nan 0.000 0.477 657 L N -0.047 121.056 121.223 -0.200 0.000 2.187 657 L HA -0.164 4.175 4.340 -0.001 0.000 0.213 657 L C 2.933 179.563 176.870 -0.399 0.000 1.100 657 L CA 2.134 56.863 54.840 -0.184 0.000 0.765 657 L CB -0.740 41.285 42.059 -0.057 0.000 0.904 657 L HN 0.327 nan 8.230 nan 0.000 0.437 658 R N 0.650 120.822 120.500 -0.546 0.000 2.117 658 R HA -0.259 4.081 4.340 -0.001 0.000 0.243 658 R C 2.188 177.994 176.300 -0.822 0.000 1.143 658 R CA 1.830 57.377 56.100 -0.922 0.000 0.968 658 R CB -0.068 29.797 30.300 -0.727 0.000 0.863 658 R HN 0.232 nan 8.270 nan 0.000 0.444 659 E N -0.456 119.456 120.200 -0.481 0.000 2.160 659 E HA -0.110 4.240 4.350 -0.001 0.000 0.195 659 E C 1.595 178.038 176.600 -0.261 0.000 0.991 659 E CA 1.645 57.860 56.400 -0.308 0.000 0.810 659 E CB -0.439 29.126 29.700 -0.225 0.000 0.742 659 E HN 0.488 nan 8.360 nan 0.000 0.466 660 G N -1.083 107.550 108.800 -0.279 0.000 2.650 660 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.214 660 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.214 660 G C 0.909 175.785 174.900 -0.039 0.000 1.136 660 G CA 0.993 46.015 45.100 -0.130 0.000 0.789 660 G HN 0.503 nan 8.290 nan 0.000 0.536 661 Y N -2.104 118.196 120.300 -0.000 0.000 2.448 661 Y HA 0.712 5.262 4.550 -0.001 0.000 0.257 661 Y C 1.027 176.947 175.900 0.032 0.000 1.089 661 Y CA -1.189 56.927 58.100 0.028 0.000 1.245 661 Y CB -0.467 38.036 38.460 0.072 0.000 1.282 661 Y HN 0.146 nan 8.280 nan 0.000 0.529 662 A N 1.573 124.389 122.820 -0.007 0.000 2.425 662 A HA 0.587 4.907 4.320 -0.001 0.000 0.249 662 A C -0.496 177.129 177.584 0.070 0.000 1.084 662 A CA -0.277 51.809 52.037 0.082 0.000 0.781 662 A CB 0.351 19.334 19.000 -0.029 0.000 1.019 662 A HN 0.186 nan 8.150 nan 0.000 0.490 663 V N 3.500 123.475 119.914 0.102 0.000 2.350 663 V HA 0.272 4.391 4.120 -0.001 0.000 0.285 663 V C 0.174 176.345 176.094 0.128 0.000 1.014 663 V CA -0.327 62.028 62.300 0.091 0.000 0.831 663 V CB 0.518 32.392 31.823 0.085 0.000 1.000 663 V HN 1.068 nan 8.190 nan 0.000 0.433 664 Q N 3.519 123.368 119.800 0.082 0.000 2.457 664 Q HA -0.301 4.038 4.340 -0.001 0.000 0.283 664 Q C 1.319 177.291 176.000 -0.047 0.000 1.234 664 Q CA 0.855 56.701 55.803 0.072 0.000 0.877 664 Q CB -1.445 27.387 28.738 0.157 0.000 1.250 664 Q HN 1.575 nan 8.270 nan 0.000 0.481 665 G N -1.166 107.595 108.800 -0.065 0.000 2.225 665 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.254 665 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.254 665 G C 0.083 174.936 174.900 -0.080 0.000 0.988 665 G CA 0.505 45.534 45.100 -0.119 0.000 0.625 665 G HN 0.591 nan 8.290 nan 0.000 0.527 666 H N 0.548 119.668 119.070 0.083 0.000 2.508 666 H HA 0.552 5.108 4.556 -0.001 0.000 0.344 666 H C 0.360 175.565 175.328 -0.205 0.000 1.192 666 H CA -0.308 55.669 56.048 -0.119 0.000 1.290 666 H CB 1.212 30.895 29.762 -0.131 0.000 1.571 666 H HN 0.260 nan 8.280 nan 0.000 0.555 667 E N 2.950 122.857 120.200 -0.489 0.000 2.415 667 E HA 0.066 4.415 4.350 -0.001 0.000 0.263 667 E C -2.292 174.296 176.600 -0.019 0.000 0.995 667 E CA -1.463 54.828 56.400 -0.181 0.000 0.915 667 E CB 0.230 29.753 29.700 -0.294 0.000 0.951 667 E HN 0.266 nan 8.360 nan 0.000 0.449 668 P HA -0.002 nan 4.420 nan 0.000 0.271 668 P C -0.654 176.622 177.300 -0.040 0.000 1.218 668 P CA -0.333 62.784 63.100 0.029 0.000 0.780 668 P CB 0.784 32.519 31.700 0.057 0.000 0.901 669 C N 5.577 124.853 119.300 -0.041 0.000 2.316 669 C HA 0.472 4.932 4.460 -0.001 0.000 0.324 669 C C -0.063 174.897 174.990 -0.049 0.000 1.226 669 C CA -0.779 58.205 59.018 -0.057 0.000 1.450 669 C CB -1.221 26.494 27.740 -0.042 0.000 2.123 669 C HN 0.432 nan 8.230 nan 0.000 0.454 670 L N 6.824 128.007 121.223 -0.067 0.000 2.326 670 L HA 0.565 4.904 4.340 -0.001 0.000 0.278 670 L C 0.092 176.960 176.870 -0.004 0.000 1.092 670 L CA 0.134 54.950 54.840 -0.040 0.000 0.810 670 L CB 1.210 43.238 42.059 -0.051 0.000 1.153 670 L HN 0.754 nan 8.230 nan 0.000 0.439 671 M N 3.019 122.626 119.600 0.011 0.000 2.371 671 M HA 0.349 4.829 4.480 -0.001 0.000 0.287 671 M C -0.879 175.454 176.300 0.054 0.000 1.149 671 M CA -0.597 54.731 55.300 0.046 0.000 0.929 671 M CB 2.152 34.775 32.600 0.037 0.000 1.683 671 M HN 0.522 nan 8.290 nan 0.000 0.470 672 H N 4.897 123.978 119.070 0.017 0.000 2.848 672 H HA 0.188 4.744 4.556 -0.001 0.000 0.341 672 H C -2.098 173.240 175.328 0.017 0.000 1.060 672 H CA -0.201 55.859 56.048 0.020 0.000 1.444 672 H CB 1.303 31.079 29.762 0.023 0.000 1.446 672 H HN 0.534 nan 8.280 nan 0.000 0.583 673 P HA -0.192 nan 4.420 nan 0.000 0.216 673 P C 0.925 178.294 177.300 0.115 0.000 1.157 673 P CA 1.526 64.573 63.100 -0.088 0.000 0.880 673 P CB 0.375 31.963 31.700 -0.187 0.000 0.791 674 D N -1.019 119.608 120.400 0.379 0.000 2.117 674 D HA -0.127 4.512 4.640 -0.001 0.000 0.198 674 D C 1.540 177.929 176.300 0.149 0.000 0.982 674 D CA 1.055 55.194 54.000 0.232 0.000 0.828 674 D CB -0.804 40.108 40.800 0.186 0.000 0.967 674 D HN 0.193 nan 8.370 nan 0.000 0.464 675 D N 0.659 121.162 120.400 0.172 0.000 2.178 675 D HA -0.084 4.555 4.640 -0.001 0.000 0.201 675 D C 1.976 178.323 176.300 0.079 0.000 0.980 675 D CA 1.000 55.057 54.000 0.096 0.000 0.842 675 D CB -0.123 40.733 40.800 0.093 0.000 0.948 675 D HN 0.140 nan 8.370 nan 0.000 0.472 676 A N 1.313 124.181 122.820 0.080 0.000 1.854 676 A HA 0.031 4.351 4.320 -0.001 0.000 0.214 676 A C 2.375 179.986 177.584 0.046 0.000 1.192 676 A CA 1.989 54.057 52.037 0.053 0.000 0.611 676 A CB -0.807 18.216 19.000 0.039 0.000 0.832 676 A HN 0.211 nan 8.150 nan 0.000 0.442 677 A N 0.097 122.946 122.820 0.048 0.000 1.927 677 A HA 0.019 4.338 4.320 -0.001 0.000 0.220 677 A C 2.461 180.068 177.584 0.038 0.000 1.185 677 A CA 2.469 54.530 52.037 0.040 0.000 0.639 677 A CB -1.103 17.923 19.000 0.043 0.000 0.820 677 A HN 1.205 nan 8.150 nan 0.000 0.451 678 A N -0.926 121.920 122.820 0.043 0.000 2.070 678 A HA -0.078 4.241 4.320 -0.001 0.000 0.220 678 A C 2.034 179.640 177.584 0.036 0.000 1.159 678 A CA 1.402 53.461 52.037 0.037 0.000 0.656 678 A CB -0.288 18.733 19.000 0.036 0.000 0.800 678 A HN 0.561 nan 8.150 nan 0.000 0.453 679 R N -1.613 118.911 120.500 0.040 0.000 2.468 679 R HA 0.296 4.635 4.340 -0.001 0.000 0.280 679 R C 0.976 177.298 176.300 0.037 0.000 0.963 679 R CA 0.423 56.548 56.100 0.042 0.000 1.083 679 R CB 0.219 30.549 30.300 0.049 0.000 1.200 679 R HN 0.540 nan 8.270 nan 0.000 0.541 680 G N 1.794 110.613 108.800 0.032 0.000 2.198 680 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.260 680 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.260 680 G C 0.066 174.983 174.900 0.028 0.000 1.025 680 G CA 0.077 45.193 45.100 0.027 0.000 0.769 680 G HN 0.268 nan 8.290 nan 0.000 0.507 681 I N 0.628 121.217 120.570 0.031 0.000 2.428 681 I HA 0.642 4.812 4.170 -0.001 0.000 0.296 681 I C 0.686 176.817 176.117 0.025 0.000 0.985 681 I CA -0.356 60.962 61.300 0.030 0.000 1.260 681 I CB 1.768 39.788 38.000 0.035 0.000 1.389 681 I HN 0.293 nan 8.210 nan 0.000 0.484 682 A N 3.947 126.781 122.820 0.023 0.000 2.354 682 A HA 0.420 4.740 4.320 -0.001 0.000 0.321 682 A C -0.788 176.806 177.584 0.017 0.000 1.125 682 A CA -0.638 51.409 52.037 0.017 0.000 0.799 682 A CB 1.006 20.016 19.000 0.017 0.000 1.293 682 A HN 0.729 nan 8.150 nan 0.000 0.452 683 D N 0.112 120.519 120.400 0.011 0.000 2.525 683 D HA 0.352 4.991 4.640 -0.001 0.000 0.235 683 D C 1.432 177.742 176.300 0.018 0.000 1.137 683 D CA 2.370 56.377 54.000 0.010 0.000 0.868 683 D CB 0.275 41.077 40.800 0.004 0.000 1.180 683 D HN 1.367 nan 8.370 nan 0.000 0.465 684 G N 2.772 111.586 108.800 0.023 0.000 2.179 684 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.260 684 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.260 684 G C 0.121 175.046 174.900 0.042 0.000 0.977 684 G CA 0.200 45.320 45.100 0.033 0.000 0.641 684 G HN 0.626 nan 8.290 nan 0.000 0.533 685 D N -0.035 120.388 120.400 0.037 0.000 2.357 685 D HA 0.424 5.064 4.640 -0.001 0.000 0.242 685 D C 0.771 177.098 176.300 0.044 0.000 1.153 685 D CA -0.093 53.934 54.000 0.046 0.000 0.918 685 D CB 1.535 42.361 40.800 0.042 0.000 1.181 685 D HN 0.111 nan 8.370 nan 0.000 0.435 686 V N 1.887 121.835 119.914 0.056 0.000 2.432 686 V HA 0.268 4.387 4.120 -0.001 0.000 0.271 686 V C 0.436 176.547 176.094 0.028 0.000 1.046 686 V CA -0.390 61.914 62.300 0.006 0.000 0.945 686 V CB 1.037 32.877 31.823 0.029 0.000 0.992 686 V HN 0.355 nan 8.190 nan 0.000 0.471 687 V N 3.033 122.923 119.914 -0.039 0.000 3.001 687 V HA 0.699 4.818 4.120 -0.001 0.000 0.314 687 V C -0.385 175.694 176.094 -0.026 0.000 1.099 687 V CA -1.263 61.051 62.300 0.024 0.000 0.989 687 V CB 1.983 33.819 31.823 0.022 0.000 1.040 687 V HN 0.793 nan 8.190 nan 0.000 0.434 688 R N 1.658 122.199 120.500 0.068 0.000 2.294 688 R HA 0.731 5.070 4.340 -0.001 0.000 0.319 688 R C -1.415 174.964 176.300 0.132 0.000 0.984 688 R CA -0.448 55.690 56.100 0.063 0.000 0.861 688 R CB 1.673 32.064 30.300 0.151 0.000 1.104 688 R HN 0.776 nan 8.270 nan 0.000 0.451 689 V N 5.523 125.473 119.914 0.061 0.000 2.370 689 V HA 0.373 4.492 4.120 -0.001 0.000 0.279 689 V C -0.624 175.486 176.094 0.027 0.000 1.029 689 V CA -0.612 61.691 62.300 0.005 0.000 0.870 689 V CB 1.011 32.804 31.823 -0.051 0.000 0.984 689 V HN 0.991 nan 8.190 nan 0.000 0.451 690 H N 2.559 121.570 119.070 -0.099 0.000 3.037 690 H HA 0.864 5.419 4.556 -0.001 0.000 0.355 690 H C -0.728 174.399 175.328 -0.335 0.000 1.263 690 H CA -0.948 55.017 56.048 -0.138 0.000 1.129 690 H CB 1.728 31.461 29.762 -0.049 0.000 1.861 690 H HN 0.575 nan 8.280 nan 0.000 0.546 691 N N -0.485 118.006 118.700 -0.348 0.000 3.506 691 N HA 0.153 4.892 4.740 -0.001 0.000 0.331 691 N C -0.551 174.851 175.510 -0.180 0.000 1.631 691 N CA -0.716 51.864 53.050 -0.783 0.000 0.786 691 N CB 0.044 38.012 38.487 -0.865 0.000 2.023 691 N HN 0.578 nan 8.380 nan 0.000 0.621 692 D N -0.665 119.721 120.400 -0.024 0.000 2.363 692 D HA 0.081 4.721 4.640 -0.001 0.000 0.220 692 D C 0.951 177.268 176.300 0.028 0.000 0.994 692 D CA 0.524 54.582 54.000 0.097 0.000 0.890 692 D CB 0.274 41.167 40.800 0.154 0.000 0.906 692 D HN 0.410 nan 8.370 nan 0.000 0.530 693 R N -0.234 120.250 120.500 -0.025 0.000 2.206 693 R HA 0.333 4.673 4.340 -0.001 0.000 0.198 693 R C 1.146 177.431 176.300 -0.024 0.000 0.986 693 R CA 0.413 56.494 56.100 -0.031 0.000 1.029 693 R CB 0.939 31.203 30.300 -0.061 0.000 0.966 693 R HN 0.063 nan 8.270 nan 0.000 0.487 694 G N 0.265 109.053 108.800 -0.021 0.000 2.342 694 G HA2 0.227 4.187 3.960 -0.001 0.000 0.297 694 G HA3 0.227 4.187 3.960 -0.001 0.000 0.297 694 G C -2.025 172.889 174.900 0.024 0.000 1.313 694 G CA -0.839 44.263 45.100 0.003 0.000 0.830 694 G HN 0.095 nan 8.290 nan 0.000 0.506 695 Q N -0.961 118.865 119.800 0.044 0.000 2.284 695 Q HA 0.697 5.036 4.340 -0.001 0.000 0.269 695 Q C -0.870 175.155 176.000 0.041 0.000 1.026 695 Q CA -1.036 54.804 55.803 0.061 0.000 0.831 695 Q CB 2.466 31.242 28.738 0.063 0.000 1.322 695 Q HN 1.168 nan 8.270 nan 0.000 0.419 696 I N -0.886 119.695 120.570 0.018 0.000 3.042 696 I HA 0.673 4.842 4.170 -0.001 0.000 0.310 696 I C -1.444 174.619 176.117 -0.090 0.000 1.117 696 I CA -1.689 59.607 61.300 -0.007 0.000 1.003 696 I CB 2.019 40.030 38.000 0.018 0.000 1.228 696 I HN 0.629 nan 8.210 nan 0.000 0.443 697 L N 2.371 123.503 121.223 -0.152 0.000 2.325 697 L HA 0.700 5.039 4.340 -0.001 0.000 0.278 697 L C -0.140 176.551 176.870 -0.298 0.000 1.023 697 L CA -0.349 54.296 54.840 -0.324 0.000 0.811 697 L CB 2.047 43.778 42.059 -0.547 0.000 1.249 697 L HN 0.895 nan 8.230 nan 0.000 0.431 698 T N -1.195 113.175 114.554 -0.307 0.000 2.841 698 T HA 0.684 5.033 4.350 -0.001 0.000 0.296 698 T C -0.378 174.217 174.700 -0.174 0.000 1.166 698 T CA -0.775 61.207 62.100 -0.198 0.000 1.007 698 T CB 1.899 70.703 68.868 -0.108 0.000 1.253 698 T HN 0.652 nan 8.240 nan 0.000 0.511 699 G N 0.512 109.289 108.800 -0.039 0.000 2.417 699 G HA2 0.575 4.534 3.960 -0.001 0.000 0.320 699 G HA3 0.575 4.534 3.960 -0.001 0.000 0.320 699 G C -0.539 174.367 174.900 0.011 0.000 1.204 699 G CA -0.740 44.371 45.100 0.018 0.000 0.923 699 G HN 0.846 nan 8.290 nan 0.000 0.466 700 V N 2.019 121.938 119.914 0.008 0.000 2.732 700 V HA 0.343 4.462 4.120 -0.001 0.000 0.297 700 V C 0.257 176.357 176.094 0.010 0.000 1.060 700 V CA -0.374 61.929 62.300 0.005 0.000 1.038 700 V CB 1.284 33.112 31.823 0.009 0.000 1.003 700 V HN 0.622 nan 8.190 nan 0.000 0.481 701 K N 2.935 123.336 120.400 0.001 0.000 2.483 701 K HA 0.497 4.816 4.320 -0.001 0.000 0.256 701 K C -1.226 175.368 176.600 -0.010 0.000 0.961 701 K CA -0.651 55.635 56.287 -0.002 0.000 0.873 701 K CB 2.073 34.571 32.500 -0.003 0.000 1.107 701 K HN 0.445 nan 8.250 nan 0.000 0.432 702 V N 3.658 123.565 119.914 -0.012 0.000 2.439 702 V HA 0.172 4.292 4.120 -0.001 0.000 0.271 702 V C -0.072 175.994 176.094 -0.047 0.000 1.040 702 V CA 0.304 62.588 62.300 -0.026 0.000 1.002 702 V CB 0.693 32.503 31.823 -0.022 0.000 1.000 702 V HN 0.833 nan 8.190 nan 0.000 0.477 703 T N 2.257 116.770 114.554 -0.068 0.000 2.889 703 T HA 0.289 4.638 4.350 -0.001 0.000 0.315 703 T C -0.016 174.604 174.700 -0.134 0.000 1.291 703 T CA -0.621 61.434 62.100 -0.076 0.000 1.028 703 T CB 1.809 70.657 68.868 -0.033 0.000 1.235 703 T HN 0.712 nan 8.240 nan 0.000 0.491 704 D N 0.218 120.539 120.400 -0.131 0.000 2.342 704 D HA 0.229 4.868 4.640 -0.001 0.000 0.221 704 D C 1.618 177.939 176.300 0.034 0.000 1.101 704 D CA -0.149 53.767 54.000 -0.140 0.000 0.837 704 D CB -0.234 40.478 40.800 -0.147 0.000 0.938 704 D HN 0.555 nan 8.370 nan 0.000 0.508 705 A N 0.395 123.236 122.820 0.034 0.000 2.015 705 A HA 0.109 4.428 4.320 -0.001 0.000 0.219 705 A C 1.228 178.886 177.584 0.123 0.000 1.163 705 A CA 0.992 53.076 52.037 0.079 0.000 0.646 705 A CB -0.511 18.520 19.000 0.052 0.000 0.806 705 A HN 0.306 nan 8.150 nan 0.000 0.448 706 V N -1.390 118.596 119.914 0.120 0.000 2.539 706 V HA 0.570 4.689 4.120 -0.001 0.000 0.292 706 V C 0.165 176.385 176.094 0.210 0.000 1.045 706 V CA -1.027 61.362 62.300 0.148 0.000 0.945 706 V CB 0.845 32.738 31.823 0.117 0.000 0.993 706 V HN 0.531 nan 8.190 nan 0.000 0.464 707 M N 1.390 121.082 119.600 0.152 0.000 2.245 707 M HA 0.422 4.901 4.480 -0.001 0.000 0.330 707 M C 0.157 176.473 176.300 0.026 0.000 1.098 707 M CA -0.300 55.056 55.300 0.093 0.000 1.172 707 M CB 0.106 32.717 32.600 0.018 0.000 1.467 707 M HN 0.773 nan 8.290 nan 0.000 0.454 708 K N 1.482 121.764 120.400 -0.197 0.000 2.489 708 K HA 0.259 4.578 4.320 -0.001 0.000 0.278 708 K C 0.908 177.443 176.600 -0.109 0.000 1.000 708 K CA 1.431 57.514 56.287 -0.340 0.000 1.012 708 K CB 0.014 32.174 32.500 -0.567 0.000 0.903 708 K HN 0.960 nan 8.250 nan 0.000 0.485 709 G N 1.583 110.359 108.800 -0.041 0.000 2.213 709 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.236 709 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.236 709 G C -0.406 174.536 174.900 0.069 0.000 0.991 709 G CA 0.036 45.144 45.100 0.013 0.000 0.629 709 G HN 0.567 nan 8.290 nan 0.000 0.517 710 V N 2.399 122.361 119.914 0.079 0.000 2.628 710 V HA 0.780 4.899 4.120 -0.001 0.000 0.306 710 V C 0.428 176.583 176.094 0.102 0.000 1.045 710 V CA -0.441 61.933 62.300 0.123 0.000 0.905 710 V CB 1.820 33.721 31.823 0.130 0.000 0.997 710 V HN 0.726 nan 8.190 nan 0.000 0.436 711 I N 1.204 121.826 120.570 0.087 0.000 2.689 711 I HA 0.679 4.848 4.170 -0.001 0.000 0.299 711 I C -0.742 175.393 176.117 0.030 0.000 1.059 711 I CA -0.751 60.577 61.300 0.045 0.000 1.055 711 I CB 2.108 40.117 38.000 0.015 0.000 1.243 711 I HN 0.644 nan 8.210 nan 0.000 0.425 712 Q N 5.586 125.375 119.800 -0.018 0.000 2.368 712 Q HA 0.603 4.943 4.340 -0.001 0.000 0.263 712 Q C -1.645 174.261 176.000 -0.156 0.000 1.009 712 Q CA -0.611 55.146 55.803 -0.077 0.000 0.818 712 Q CB 1.599 30.257 28.738 -0.134 0.000 1.239 712 Q HN 0.773 nan 8.270 nan 0.000 0.464 713 I N 4.629 125.141 120.570 -0.097 0.000 2.466 713 I HA 0.232 4.401 4.170 -0.001 0.000 0.279 713 I C -0.886 175.251 176.117 0.033 0.000 1.033 713 I CA -0.934 60.322 61.300 -0.073 0.000 1.123 713 I CB 0.606 38.590 38.000 -0.025 0.000 1.237 713 I HN 0.539 nan 8.210 nan 0.000 0.460 714 Y N 3.892 124.230 120.300 0.063 0.000 2.578 714 Y HA 0.025 4.574 4.550 -0.001 0.000 0.339 714 Y C 1.090 177.043 175.900 0.088 0.000 1.231 714 Y CA -0.646 57.503 58.100 0.083 0.000 1.461 714 Y CB 0.312 38.806 38.460 0.056 0.000 1.323 714 Y HN 0.581 nan 8.280 nan 0.000 0.590 715 E N 0.015 120.380 120.200 0.274 0.000 2.409 715 E HA 0.453 4.802 4.350 -0.001 0.000 0.257 715 E C 1.053 177.767 176.600 0.190 0.000 1.150 715 E CA 0.133 56.639 56.400 0.177 0.000 0.942 715 E CB 0.313 30.077 29.700 0.107 0.000 0.979 715 E HN 0.755 nan 8.360 nan 0.000 0.447 716 G N 0.213 109.140 108.800 0.211 0.000 2.195 716 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.224 716 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.224 716 G C 0.510 175.655 174.900 0.407 0.000 0.990 716 G CA -0.305 44.964 45.100 0.282 0.000 0.639 716 G HN 0.947 nan 8.290 nan 0.000 0.514 717 G N -0.301 108.755 108.800 0.426 0.000 2.380 717 G HA2 0.331 4.291 3.960 -0.001 0.000 0.242 717 G HA3 0.331 4.291 3.960 -0.001 0.000 0.242 717 G C 0.146 175.457 174.900 0.685 0.000 1.298 717 G CA -0.176 45.306 45.100 0.638 0.000 0.878 717 G HN 0.281 nan 8.290 nan 0.000 0.542 718 W N 2.277 123.765 121.300 0.314 0.000 2.585 718 W HA 0.207 4.866 4.660 -0.001 0.000 0.337 718 W C 0.318 176.948 176.519 0.185 0.000 1.226 718 W CA -1.442 55.981 57.345 0.130 0.000 1.463 718 W CB -0.754 28.639 29.460 -0.111 0.000 1.458 718 W HN 0.463 nan 8.180 nan 0.000 0.458 719 Y N 3.936 124.397 120.300 0.269 0.000 2.887 719 Y HA -0.139 4.410 4.550 -0.001 0.000 0.350 719 Y C 0.302 176.276 175.900 0.123 0.000 1.294 719 Y CA 0.808 59.013 58.100 0.174 0.000 1.622 719 Y CB 0.055 38.571 38.460 0.094 0.000 1.201 719 Y HN 0.309 nan 8.280 nan 0.000 0.546 720 D N 9.174 129.474 120.400 -0.168 0.000 2.412 720 D HA 0.304 4.943 4.640 -0.001 0.000 0.276 720 D C -2.932 173.152 176.300 -0.360 0.000 1.196 720 D CA -2.227 51.612 54.000 -0.267 0.000 0.905 720 D CB 0.663 41.411 40.800 -0.087 0.000 1.081 720 D HN 0.236 nan 8.370 nan 0.000 0.502 721 P HA 0.038 nan 4.420 nan 0.000 0.265 721 P C 0.668 177.868 177.300 -0.167 0.000 1.193 721 P CA -0.064 62.807 63.100 -0.381 0.000 0.765 721 P CB 1.278 32.764 31.700 -0.357 0.000 0.823 722 S N 0.606 116.259 115.700 -0.079 0.000 2.383 722 S HA -0.086 4.383 4.470 -0.001 0.000 0.227 722 S C 0.674 175.249 174.600 -0.041 0.000 1.026 722 S CA 1.316 59.490 58.200 -0.043 0.000 0.981 722 S CB -0.283 62.913 63.200 -0.007 0.000 0.818 722 S HN 0.635 nan 8.310 nan 0.000 0.472 723 D N 0.073 120.455 120.400 -0.031 0.000 2.591 723 D HA 0.161 4.800 4.640 -0.001 0.000 0.222 723 D C 0.554 176.852 176.300 -0.003 0.000 1.360 723 D CA -0.366 53.620 54.000 -0.023 0.000 0.967 723 D CB 1.468 42.263 40.800 -0.007 0.000 1.456 723 D HN -0.007 nan 8.370 nan 0.000 0.588 724 V N 1.929 121.834 119.914 -0.015 0.000 3.078 724 V HA -0.019 4.100 4.120 -0.001 0.000 0.265 724 V C 1.623 177.744 176.094 0.044 0.000 1.122 724 V CA 1.999 64.317 62.300 0.030 0.000 1.141 724 V CB -1.169 30.655 31.823 0.002 0.000 0.735 724 V HN 0.667 nan 8.190 nan 0.000 0.498 725 T N -2.533 112.034 114.554 0.021 0.000 3.081 725 T HA 0.133 4.482 4.350 -0.001 0.000 0.250 725 T C 0.695 175.414 174.700 0.032 0.000 1.100 725 T CA 0.248 62.364 62.100 0.026 0.000 1.038 725 T CB -0.183 68.691 68.868 0.010 0.000 0.962 725 T HN 0.667 nan 8.240 nan 0.000 0.516 726 E N 2.944 123.164 120.200 0.034 0.000 2.081 726 E HA 0.297 4.646 4.350 -0.001 0.000 0.281 726 E C -2.650 173.980 176.600 0.050 0.000 0.986 726 E CA -2.826 53.596 56.400 0.036 0.000 0.796 726 E CB 0.876 30.594 29.700 0.030 0.000 1.085 726 E HN 0.185 nan 8.360 nan 0.000 0.398 727 P HA 0.017 nan 4.420 nan 0.000 0.262 727 P C 0.428 177.758 177.300 0.050 0.000 1.182 727 P CA 0.794 63.924 63.100 0.049 0.000 0.761 727 P CB 0.583 32.306 31.700 0.038 0.000 0.795 728 G N 1.559 110.393 108.800 0.057 0.000 2.155 728 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.257 728 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.257 728 G C 0.569 175.508 174.900 0.065 0.000 0.983 728 G CA 0.368 45.501 45.100 0.055 0.000 0.676 728 G HN 0.778 nan 8.290 nan 0.000 0.528 729 T N -0.054 114.545 114.554 0.075 0.000 2.939 729 T HA 0.260 4.609 4.350 -0.001 0.000 0.319 729 T C 0.784 175.531 174.700 0.078 0.000 1.082 729 T CA 0.273 62.413 62.100 0.067 0.000 1.133 729 T CB 0.262 69.167 68.868 0.060 0.000 1.019 729 T HN 0.950 nan 8.240 nan 0.000 0.548 730 L N 4.700 125.954 121.223 0.051 0.000 2.410 730 L HA 0.295 4.634 4.340 -0.001 0.000 0.273 730 L C 0.107 176.998 176.870 0.036 0.000 1.144 730 L CA -0.117 54.746 54.840 0.038 0.000 0.863 730 L CB 0.668 42.732 42.059 0.009 0.000 1.140 730 L HN 0.632 nan 8.230 nan 0.000 0.463 731 D N 3.580 124.025 120.400 0.075 0.000 2.277 731 D HA 0.132 4.771 4.640 -0.001 0.000 0.249 731 D C 0.440 176.770 176.300 0.050 0.000 1.134 731 D CA 0.004 54.056 54.000 0.086 0.000 0.863 731 D CB 1.057 42.017 40.800 0.268 0.000 1.143 731 D HN 0.590 nan 8.370 nan 0.000 0.458 732 K N 2.920 123.353 120.400 0.055 0.000 2.365 732 K HA -0.072 4.247 4.320 -0.001 0.000 0.197 732 K C 0.844 177.614 176.600 0.284 0.000 1.042 732 K CA 0.332 56.685 56.287 0.109 0.000 0.987 732 K CB 0.234 32.796 32.500 0.103 0.000 0.779 732 K HN 0.489 nan 8.250 nan 0.000 0.484 733 Y N 0.668 121.070 120.300 0.170 0.000 2.266 733 Y HA 0.162 4.711 4.550 -0.001 0.000 0.294 733 Y C 0.892 176.953 175.900 0.268 0.000 1.127 733 Y CA 1.165 59.423 58.100 0.263 0.000 1.140 733 Y CB 0.930 39.517 38.460 0.212 0.000 1.071 733 Y HN 0.059 nan 8.280 nan 0.000 0.525 734 G N 1.553 110.386 108.800 0.054 0.000 2.511 734 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.205 734 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.205 734 G C -1.439 173.551 174.900 0.149 0.000 1.098 734 G CA -0.225 44.865 45.100 -0.017 0.000 0.812 734 G HN 0.340 nan 8.290 nan 0.000 0.497 735 D N 0.736 121.291 120.400 0.259 0.000 2.374 735 D HA 0.306 4.945 4.640 -0.001 0.000 0.240 735 D C 1.426 177.795 176.300 0.114 0.000 1.229 735 D CA 0.032 54.179 54.000 0.244 0.000 0.895 735 D CB 1.415 42.377 40.800 0.271 0.000 1.046 735 D HN 0.148 nan 8.370 nan 0.000 0.498 736 V N 4.699 124.667 119.914 0.091 0.000 2.720 736 V HA -0.171 3.948 4.120 -0.001 0.000 0.256 736 V C 1.438 177.527 176.094 -0.009 0.000 1.082 736 V CA 1.298 63.619 62.300 0.036 0.000 1.101 736 V CB -0.471 31.383 31.823 0.051 0.000 0.693 736 V HN 0.554 nan 8.190 nan 0.000 0.479 737 N N -0.308 118.378 118.700 -0.024 0.000 2.521 737 N HA -0.006 4.733 4.740 -0.001 0.000 0.188 737 N C 1.398 176.822 175.510 -0.144 0.000 1.146 737 N CA 0.698 53.694 53.050 -0.091 0.000 0.893 737 N CB 0.565 38.983 38.487 -0.114 0.000 0.975 737 N HN 0.408 nan 8.380 nan 0.000 0.451 738 V N 0.426 120.272 119.914 -0.113 0.000 2.809 738 V HA -0.052 4.068 4.120 -0.001 0.000 0.256 738 V C 1.874 177.913 176.094 -0.093 0.000 1.080 738 V CA 1.064 63.294 62.300 -0.117 0.000 1.102 738 V CB -0.093 31.711 31.823 -0.031 0.000 0.705 738 V HN 0.269 nan 8.190 nan 0.000 0.475 739 L N -0.422 120.748 121.223 -0.088 0.000 2.638 739 L HA 0.208 4.547 4.340 -0.001 0.000 0.232 739 L C 1.239 178.042 176.870 -0.111 0.000 1.099 739 L CA 0.003 54.781 54.840 -0.102 0.000 0.883 739 L CB 0.037 42.029 42.059 -0.111 0.000 1.136 739 L HN 0.355 nan 8.230 nan 0.000 0.492 740 S N 0.294 115.930 115.700 -0.106 0.000 2.645 740 S HA 0.683 5.152 4.470 -0.001 0.000 0.266 740 S C 0.070 174.601 174.600 -0.115 0.000 1.258 740 S CA -0.609 57.529 58.200 -0.103 0.000 0.990 740 S CB 1.855 65.001 63.200 -0.091 0.000 0.967 740 S HN 0.104 nan 8.310 nan 0.000 0.556 741 A N 0.109 122.865 122.820 -0.108 0.000 2.294 741 A HA 0.583 4.902 4.320 -0.001 0.000 0.330 741 A C -0.492 177.009 177.584 -0.138 0.000 1.133 741 A CA -0.629 51.339 52.037 -0.114 0.000 0.836 741 A CB 0.597 19.534 19.000 -0.105 0.000 1.190 741 A HN 0.805 nan 8.150 nan 0.000 0.492 742 D N 1.368 121.686 120.400 -0.138 0.000 2.493 742 D HA 0.491 5.130 4.640 -0.001 0.000 0.235 742 D C -0.465 175.772 176.300 -0.103 0.000 1.117 742 D CA 0.001 53.915 54.000 -0.143 0.000 0.930 742 D CB -0.266 40.459 40.800 -0.124 0.000 1.010 742 D HN 0.514 nan 8.370 nan 0.000 0.514 743 I N -1.106 119.396 120.570 -0.113 0.000 3.074 743 I HA 0.780 4.949 4.170 -0.001 0.000 0.310 743 I C 0.342 176.405 176.117 -0.090 0.000 1.153 743 I CA -1.504 59.727 61.300 -0.114 0.000 0.993 743 I CB 1.986 39.869 38.000 -0.195 0.000 1.237 743 I HN 0.160 nan 8.210 nan 0.000 0.443 744 G N 0.938 109.702 108.800 -0.060 0.000 2.444 744 G HA2 0.387 4.346 3.960 -0.001 0.000 0.268 744 G HA3 0.387 4.346 3.960 -0.001 0.000 0.268 744 G C 0.914 175.817 174.900 0.005 0.000 1.203 744 G CA 0.193 45.279 45.100 -0.024 0.000 0.835 744 G HN 0.927 nan 8.290 nan 0.000 0.543 745 T N -1.489 113.081 114.554 0.025 0.000 2.720 745 T HA 0.037 4.386 4.350 -0.001 0.000 0.268 745 T C 1.228 175.965 174.700 0.062 0.000 1.037 745 T CA 1.464 63.599 62.100 0.059 0.000 1.144 745 T CB -0.395 68.503 68.868 0.051 0.000 0.864 745 T HN 1.580 nan 8.240 nan 0.000 0.444 746 S N -1.014 114.708 115.700 0.037 0.000 2.663 746 S HA 0.381 4.850 4.470 -0.001 0.000 0.264 746 S C -0.006 174.548 174.600 -0.076 0.000 1.112 746 S CA -0.985 57.221 58.200 0.010 0.000 0.823 746 S CB 1.224 64.451 63.200 0.045 0.000 1.111 746 S HN 0.107 nan 8.310 nan 0.000 0.476 747 K N -0.279 119.973 120.400 -0.247 0.000 2.211 747 K HA 0.021 4.341 4.320 -0.001 0.000 0.203 747 K C 1.755 178.062 176.600 -0.489 0.000 1.050 747 K CA 1.192 57.171 56.287 -0.514 0.000 0.945 747 K CB -0.484 31.345 32.500 -1.118 0.000 0.732 747 K HN 0.432 nan 8.250 nan 0.000 0.451 748 L N 0.765 121.833 121.223 -0.258 0.000 1.961 748 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 748 L C 2.144 178.962 176.870 -0.087 0.000 1.072 748 L CA 2.093 56.906 54.840 -0.044 0.000 0.749 748 L CB -0.385 41.693 42.059 0.031 0.000 0.889 748 L HN 0.108 nan 8.230 nan 0.000 0.432 749 A N -3.213 119.618 122.820 0.017 0.000 2.014 749 A HA 0.064 4.384 4.320 -0.001 0.000 0.210 749 A C 0.878 178.636 177.584 0.289 0.000 1.188 749 A CA 0.395 52.520 52.037 0.147 0.000 0.731 749 A CB 0.115 19.161 19.000 0.077 0.000 0.858 749 A HN 0.540 nan 8.150 nan 0.000 0.464 750 Q N -1.131 118.760 119.800 0.152 0.000 2.494 750 Q HA -0.160 4.179 4.340 -0.001 0.000 0.272 750 Q C 0.489 176.497 176.000 0.013 0.000 1.145 750 Q CA 0.867 56.731 55.803 0.102 0.000 0.943 750 Q CB -2.545 26.292 28.738 0.165 0.000 1.338 750 Q HN 0.787 nan 8.270 nan 0.000 0.492 751 G N 0.964 109.766 108.800 0.003 0.000 2.599 751 G HA2 0.354 4.314 3.960 -0.001 0.000 0.264 751 G HA3 0.354 4.314 3.960 -0.001 0.000 0.264 751 G C 0.344 175.198 174.900 -0.076 0.000 1.200 751 G CA 0.028 45.092 45.100 -0.059 0.000 0.896 751 G HN 0.466 nan 8.290 nan 0.000 0.536 752 N N -2.464 116.164 118.700 -0.121 0.000 2.483 752 N HA 0.309 5.049 4.740 -0.001 0.000 0.269 752 N C -0.281 175.229 175.510 -0.001 0.000 1.209 752 N CA -0.618 52.385 53.050 -0.078 0.000 0.969 752 N CB 1.520 39.964 38.487 -0.072 0.000 1.173 752 N HN 0.214 nan 8.380 nan 0.000 0.475 753 C N 1.304 120.605 119.300 0.001 0.000 2.624 753 C HA 0.459 4.918 4.460 -0.001 0.000 0.263 753 C C 1.879 176.893 174.990 0.040 0.000 1.587 753 C CA -0.694 58.341 59.018 0.028 0.000 1.718 753 C CB -0.915 26.816 27.740 -0.015 0.000 3.050 753 C HN 1.009 nan 8.230 nan 0.000 0.517 754 G N 0.650 109.493 108.800 0.071 0.000 2.499 754 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.221 754 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.221 754 G C 1.330 176.287 174.900 0.094 0.000 1.109 754 G CA 0.867 46.014 45.100 0.079 0.000 0.749 754 G HN 0.712 nan 8.290 nan 0.000 0.568 755 Q N -0.426 119.454 119.800 0.134 0.000 2.155 755 Q HA 0.096 4.436 4.340 -0.001 0.000 0.220 755 Q C -0.176 175.939 176.000 0.192 0.000 0.819 755 Q CA -0.057 55.849 55.803 0.172 0.000 1.032 755 Q CB 0.910 29.798 28.738 0.249 0.000 1.151 755 Q HN 0.184 nan 8.270 nan 0.000 0.487 756 T N 1.663 116.292 114.554 0.126 0.000 3.316 756 T HA 0.337 4.686 4.350 -0.001 0.000 0.341 756 T C -0.581 174.133 174.700 0.023 0.000 1.397 756 T CA -0.053 62.129 62.100 0.137 0.000 1.085 756 T CB 0.209 69.140 68.868 0.105 0.000 1.160 756 T HN -0.109 nan 8.240 nan 0.000 0.694 757 V N 4.129 123.987 119.914 -0.093 0.000 2.668 757 V HA 0.521 4.640 4.120 -0.001 0.000 0.304 757 V C -0.524 175.424 176.094 -0.244 0.000 1.071 757 V CA -1.015 61.182 62.300 -0.172 0.000 0.894 757 V CB 1.995 33.703 31.823 -0.190 0.000 1.008 757 V HN 0.586 nan 8.190 nan 0.000 0.425 758 L N 3.596 124.753 121.223 -0.111 0.000 2.346 758 L HA 1.033 5.372 4.340 -0.001 0.000 0.274 758 L C 0.162 176.934 176.870 -0.163 0.000 1.007 758 L CA -0.520 54.285 54.840 -0.059 0.000 0.818 758 L CB 2.010 44.126 42.059 0.095 0.000 1.284 758 L HN 0.893 nan 8.230 nan 0.000 0.424 759 A N 1.836 124.563 122.820 -0.154 0.000 2.581 759 A HA 0.723 5.042 4.320 -0.001 0.000 0.290 759 A C -1.675 175.805 177.584 -0.173 0.000 1.119 759 A CA -0.464 51.354 52.037 -0.365 0.000 0.670 759 A CB 2.105 20.900 19.000 -0.341 0.000 1.280 759 A HN 0.599 nan 8.150 nan 0.000 0.425 760 E N -0.598 119.415 120.200 -0.311 0.000 2.235 760 E HA 0.709 5.058 4.350 -0.001 0.000 0.265 760 E C -1.559 174.895 176.600 -0.244 0.000 0.940 760 E CA -0.438 55.857 56.400 -0.174 0.000 0.819 760 E CB 1.935 31.579 29.700 -0.094 0.000 1.206 760 E HN 0.675 nan 8.360 nan 0.000 0.409 761 V N 3.248 123.127 119.914 -0.059 0.000 2.709 761 V HA 0.504 4.623 4.120 -0.001 0.000 0.308 761 V C -0.740 175.412 176.094 0.097 0.000 1.062 761 V CA -0.727 61.585 62.300 0.020 0.000 0.901 761 V CB 1.560 33.392 31.823 0.015 0.000 1.003 761 V HN 0.805 nan 8.190 nan 0.000 0.425 762 E N 2.725 123.013 120.200 0.147 0.000 2.393 762 E HA 0.512 4.862 4.350 -0.001 0.000 0.273 762 E C -1.025 175.643 176.600 0.114 0.000 0.918 762 E CA -1.167 55.313 56.400 0.133 0.000 0.773 762 E CB 2.528 32.325 29.700 0.162 0.000 1.275 762 E HN 0.467 nan 8.360 nan 0.000 0.451 763 K N 1.817 122.269 120.400 0.087 0.000 2.472 763 K HA -0.042 4.278 4.320 -0.001 0.000 0.280 763 K C -0.991 175.677 176.600 0.113 0.000 1.028 763 K CA -0.184 56.152 56.287 0.082 0.000 1.045 763 K CB 0.213 32.743 32.500 0.049 0.000 0.902 763 K HN 0.485 nan 8.250 nan 0.000 0.478 764 Y N 3.914 124.211 120.300 -0.005 0.000 2.465 764 Y HA 0.008 4.558 4.550 -0.001 0.000 0.331 764 Y C 0.763 176.660 175.900 -0.005 0.000 1.102 764 Y CA 0.509 58.601 58.100 -0.013 0.000 1.358 764 Y CB 0.755 39.193 38.460 -0.036 0.000 1.213 764 Y HN 0.723 nan 8.280 nan 0.000 0.525 765 T N 1.561 115.788 114.554 -0.544 0.000 3.170 765 T HA 0.397 4.747 4.350 -0.001 0.000 0.288 765 T C 0.750 175.084 174.700 -0.611 0.000 0.992 765 T CA 0.064 61.889 62.100 -0.459 0.000 0.909 765 T CB -0.370 68.372 68.868 -0.209 0.000 1.133 765 T HN 0.729 nan 8.240 nan 0.000 0.530 766 G N 2.695 110.793 108.800 -1.170 0.000 2.516 766 G HA2 0.573 4.532 3.960 -0.001 0.000 0.276 766 G HA3 0.573 4.532 3.960 -0.001 0.000 0.276 766 G C -2.264 172.398 174.900 -0.398 0.000 1.390 766 G CA -1.322 43.395 45.100 -0.638 0.000 1.050 766 G HN 0.292 nan 8.290 nan 0.000 0.519 767 P HA 0.319 nan 4.420 nan 0.000 0.269 767 P C 0.019 177.420 177.300 0.167 0.000 1.209 767 P CA -0.104 63.021 63.100 0.042 0.000 0.776 767 P CB 0.639 32.375 31.700 0.060 0.000 0.876 768 A N 2.473 125.365 122.820 0.121 0.000 2.520 768 A HA 0.242 4.561 4.320 -0.001 0.000 0.235 768 A C 0.049 177.723 177.584 0.150 0.000 1.065 768 A CA 0.046 52.173 52.037 0.151 0.000 0.764 768 A CB -0.083 18.974 19.000 0.094 0.000 1.002 768 A HN 0.430 nan 8.150 nan 0.000 0.502 769 V N 1.778 121.788 119.914 0.160 0.000 2.680 769 V HA 0.526 4.645 4.120 -0.001 0.000 0.309 769 V C 0.061 176.210 176.094 0.090 0.000 1.052 769 V CA -0.334 62.038 62.300 0.121 0.000 0.908 769 V CB 2.477 34.383 31.823 0.138 0.000 1.001 769 V HN 0.986 nan 8.190 nan 0.000 0.431 770 T N 6.544 121.133 114.554 0.058 0.000 2.758 770 T HA 0.506 4.855 4.350 -0.001 0.000 0.285 770 T C -0.196 174.522 174.700 0.030 0.000 0.981 770 T CA -0.214 61.908 62.100 0.038 0.000 0.965 770 T CB 0.656 69.537 68.868 0.021 0.000 0.927 770 T HN 0.394 nan 8.240 nan 0.000 0.448 771 L N 3.751 124.996 121.223 0.037 0.000 2.462 771 L HA 0.204 4.543 4.340 -0.001 0.000 0.272 771 L C 1.568 178.440 176.870 0.004 0.000 1.166 771 L CA 0.073 54.938 54.840 0.042 0.000 0.880 771 L CB 0.535 42.655 42.059 0.101 0.000 1.142 771 L HN 0.835 nan 8.230 nan 0.000 0.473 772 T N -2.729 111.793 114.554 -0.054 0.000 3.043 772 T HA 0.098 4.447 4.350 -0.001 0.000 0.272 772 T C 1.411 176.021 174.700 -0.149 0.000 0.990 772 T CA 0.261 62.311 62.100 -0.083 0.000 0.897 772 T CB 0.598 69.411 68.868 -0.092 0.000 1.111 772 T HN 0.649 nan 8.240 nan 0.000 0.529 773 G N 0.794 109.425 108.800 -0.281 0.000 2.572 773 G HA2 0.149 4.108 3.960 -0.001 0.000 0.216 773 G HA3 0.149 4.108 3.960 -0.001 0.000 0.216 773 G C 0.526 175.188 174.900 -0.396 0.000 1.133 773 G CA -0.022 44.840 45.100 -0.397 0.000 0.791 773 G HN 0.525 nan 8.290 nan 0.000 0.538 774 F N 0.673 120.657 119.950 0.056 0.000 2.645 774 F HA 0.352 4.878 4.527 -0.001 0.000 0.300 774 F C 0.677 176.504 175.800 0.045 0.000 1.115 774 F CA -1.045 56.983 58.000 0.045 0.000 1.355 774 F CB 0.170 39.121 39.000 -0.082 0.000 1.026 774 F HN 0.010 nan 8.300 nan 0.000 0.536 775 V N -2.317 117.662 119.914 0.108 0.000 3.001 775 V HA 0.933 5.052 4.120 -0.001 0.000 0.314 775 V C 0.060 176.121 176.094 -0.055 0.000 1.099 775 V CA -1.702 60.626 62.300 0.046 0.000 0.989 775 V CB 1.120 32.946 31.823 0.005 0.000 1.040 775 V HN -0.008 nan 8.190 nan 0.000 0.434 776 A N 2.829 125.584 122.820 -0.109 0.000 2.386 776 A HA 0.730 5.050 4.320 -0.001 0.000 0.248 776 A C -2.280 175.030 177.584 -0.457 0.000 1.082 776 A CA -1.320 50.483 52.037 -0.390 0.000 0.789 776 A CB -0.704 18.145 19.000 -0.252 0.000 1.025 776 A HN 0.871 nan 8.150 nan 0.000 0.490 777 P HA 0.045 nan 4.420 nan 0.000 0.262 777 P C 0.383 177.518 177.300 -0.274 0.000 1.182 777 P CA 0.140 62.962 63.100 -0.463 0.000 0.761 777 P CB 0.398 31.752 31.700 -0.577 0.000 0.795 778 K N 3.175 123.478 120.400 -0.161 0.000 2.097 778 K HA -0.271 4.049 4.320 -0.001 0.000 0.214 778 K C 1.921 178.484 176.600 -0.062 0.000 1.052 778 K CA 2.385 58.615 56.287 -0.093 0.000 0.932 778 K CB -0.648 31.812 32.500 -0.067 0.000 0.716 778 K HN 0.531 nan 8.250 nan 0.000 0.455 779 A N 0.014 122.806 122.820 -0.047 0.000 2.172 779 A HA 0.028 4.348 4.320 -0.001 0.000 0.216 779 A C 1.872 179.479 177.584 0.038 0.000 1.154 779 A CA 1.558 53.598 52.037 0.004 0.000 0.701 779 A CB -0.285 18.740 19.000 0.042 0.000 0.789 779 A HN 0.338 nan 8.150 nan 0.000 0.465 780 A N -0.905 121.915 122.820 -0.001 0.000 2.430 780 A HA 0.334 4.653 4.320 -0.001 0.000 0.243 780 A C 0.663 178.284 177.584 0.062 0.000 1.254 780 A CA -0.273 51.821 52.037 0.093 0.000 0.914 780 A CB 0.046 19.084 19.000 0.062 0.000 0.998 780 A HN 0.331 nan 8.150 nan 0.000 0.515 781 E N 0.000 120.210 120.200 0.017 0.000 2.725 781 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 781 E CA 0.000 56.401 56.400 0.001 0.000 0.976 781 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440