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 1a5n_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLAIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMXXXXXX XXXXXXXXXA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.617 174.600 0.028 0.000 1.055 2 S CA 0.000 58.220 58.200 0.033 0.000 1.107 2 S CB 0.000 63.221 63.200 0.036 0.000 0.593 3 N N 0.030 118.747 118.700 0.028 0.000 2.329 3 N HA 0.752 5.492 4.740 -0.000 0.000 0.282 3 N C -1.929 173.601 175.510 0.033 0.000 1.198 3 N CA -0.338 52.721 53.050 0.014 0.000 0.790 3 N CB 2.633 41.123 38.487 0.004 0.000 1.579 3 N HN 0.712 nan 8.380 nan 0.000 0.475 4 I N 0.737 121.325 120.570 0.031 0.000 2.775 4 I HA 0.212 4.382 4.170 -0.000 0.000 0.295 4 I C -0.146 176.000 176.117 0.048 0.000 1.287 4 I CA -0.439 60.904 61.300 0.071 0.000 1.029 4 I CB 1.882 39.978 38.000 0.161 0.000 1.282 4 I HN 0.620 nan 8.210 nan 0.000 0.426 5 S N 6.228 121.960 115.700 0.054 0.000 2.579 5 S HA 0.314 4.784 4.470 -0.000 0.000 0.275 5 S C 1.066 175.706 174.600 0.068 0.000 1.345 5 S CA -0.381 57.841 58.200 0.037 0.000 1.031 5 S CB 1.485 64.704 63.200 0.033 0.000 0.892 5 S HN 0.810 nan 8.310 nan 0.000 0.529 6 R N 0.617 121.134 120.500 0.028 0.000 2.091 6 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 6 R C 2.436 178.809 176.300 0.122 0.000 1.136 6 R CA 1.862 57.990 56.100 0.046 0.000 0.959 6 R CB -0.521 29.776 30.300 -0.006 0.000 0.856 6 R HN 0.818 nan 8.270 nan 0.000 0.437 7 Q N 0.720 120.570 119.800 0.084 0.000 2.050 7 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 7 Q C 1.888 177.943 176.000 0.092 0.000 0.980 7 Q CA 2.191 58.043 55.803 0.081 0.000 0.840 7 Q CB -0.333 28.436 28.738 0.051 0.000 0.898 7 Q HN 0.319 nan 8.270 nan 0.000 0.424 8 A N -0.730 122.143 122.820 0.089 0.000 1.933 8 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 8 A C 2.048 179.689 177.584 0.095 0.000 1.175 8 A CA 1.480 53.558 52.037 0.067 0.000 0.628 8 A CB -1.080 17.957 19.000 0.062 0.000 0.814 8 A HN 0.624 nan 8.150 nan 0.000 0.444 9 Y N 0.589 120.933 120.300 0.073 0.000 2.145 9 Y HA -0.104 4.446 4.550 -0.000 0.000 0.286 9 Y C 2.663 178.665 175.900 0.171 0.000 1.145 9 Y CA 1.334 59.539 58.100 0.175 0.000 1.148 9 Y CB -0.487 38.052 38.460 0.131 0.000 0.981 9 Y HN 0.310 nan 8.280 nan 0.000 0.507 10 A N 0.015 123.010 122.820 0.292 0.000 1.902 10 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 10 A C 1.830 179.445 177.584 0.052 0.000 1.181 10 A CA 2.044 54.200 52.037 0.198 0.000 0.623 10 A CB -0.842 18.261 19.000 0.171 0.000 0.818 10 A HN 0.522 nan 8.150 nan 0.000 0.443 11 D N -1.343 119.062 120.400 0.008 0.000 2.264 11 D HA -0.072 4.568 4.640 -0.000 0.000 0.208 11 D C 1.782 177.990 176.300 -0.153 0.000 0.966 11 D CA 1.039 55.010 54.000 -0.048 0.000 0.864 11 D CB -0.124 40.653 40.800 -0.037 0.000 0.933 11 D HN 0.525 nan 8.370 nan 0.000 0.499 12 M N -1.555 117.871 119.600 -0.291 0.000 2.557 12 M HA 0.067 4.547 4.480 -0.000 0.000 0.262 12 M C 0.418 176.226 176.300 -0.819 0.000 1.168 12 M CA 0.885 55.799 55.300 -0.643 0.000 1.194 12 M CB 0.467 32.494 32.600 -0.955 0.000 1.311 12 M HN -0.128 nan 8.290 nan 0.000 0.489 13 F N 0.097 119.885 119.950 -0.271 0.000 2.706 13 F HA 0.496 5.023 4.527 -0.000 0.000 0.313 13 F C 0.856 176.617 175.800 -0.064 0.000 1.096 13 F CA 0.184 58.053 58.000 -0.219 0.000 1.219 13 F CB 0.242 38.979 39.000 -0.439 0.000 1.051 13 F HN 0.239 nan 8.300 nan 0.000 0.568 14 G N 1.517 110.376 108.800 0.098 0.000 2.699 14 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.686 14 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.686 14 G C -2.964 172.071 174.900 0.225 0.000 1.301 14 G CA -1.360 43.825 45.100 0.141 0.000 0.816 14 G HN -0.050 nan 8.290 nan 0.000 0.595 15 P HA 0.382 nan 4.420 nan 0.000 0.269 15 P C 0.183 177.629 177.300 0.244 0.000 1.215 15 P CA 0.561 63.784 63.100 0.206 0.000 0.780 15 P CB 1.522 33.303 31.700 0.135 0.000 0.898 16 T N -0.020 114.668 114.554 0.223 0.000 2.724 16 T HA 0.286 4.636 4.350 -0.000 0.000 0.274 16 T C -0.403 174.372 174.700 0.126 0.000 0.984 16 T CA -0.782 61.440 62.100 0.202 0.000 1.024 16 T CB 0.587 69.578 68.868 0.205 0.000 1.320 16 T HN 0.107 nan 8.240 nan 0.000 0.555 17 V N 2.168 122.153 119.914 0.118 0.000 2.583 17 V HA 0.323 4.443 4.120 -0.000 0.000 0.302 17 V C 1.868 177.997 176.094 0.059 0.000 1.033 17 V CA 1.614 63.964 62.300 0.084 0.000 1.194 17 V CB -0.263 31.610 31.823 0.084 0.000 0.879 17 V HN 1.319 nan 8.190 nan 0.000 0.482 18 G N 3.687 112.518 108.800 0.051 0.000 2.258 18 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.233 18 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.233 18 G C -0.048 174.876 174.900 0.039 0.000 1.006 18 G CA 0.047 45.168 45.100 0.036 0.000 0.620 18 G HN 0.674 nan 8.290 nan 0.000 0.511 19 D N 1.462 121.897 120.400 0.058 0.000 2.341 19 D HA 0.535 5.175 4.640 -0.000 0.000 0.245 19 D C 0.615 176.969 176.300 0.089 0.000 1.106 19 D CA 0.375 54.418 54.000 0.073 0.000 0.905 19 D CB 1.026 41.882 40.800 0.094 0.000 1.202 19 D HN 0.425 nan 8.370 nan 0.000 0.426 20 K N 0.252 120.725 120.400 0.121 0.000 2.208 20 K HA 0.692 5.012 4.320 -0.000 0.000 0.247 20 K C -0.911 175.856 176.600 0.279 0.000 0.953 20 K CA -0.977 55.433 56.287 0.204 0.000 0.837 20 K CB 2.163 34.799 32.500 0.226 0.000 1.131 20 K HN 0.085 nan 8.250 nan 0.000 0.431 21 V N 1.597 121.649 119.914 0.230 0.000 2.760 21 V HA 0.356 4.476 4.120 -0.000 0.000 0.309 21 V C -0.616 175.317 176.094 -0.268 0.000 1.077 21 V CA -0.987 61.323 62.300 0.017 0.000 0.910 21 V CB 1.794 33.578 31.823 -0.065 0.000 1.008 21 V HN 0.696 nan 8.190 nan 0.000 0.424 22 R N 3.910 123.999 120.500 -0.685 0.000 2.390 22 R HA 0.522 4.862 4.340 -0.000 0.000 0.291 22 R C -0.941 174.978 176.300 -0.634 0.000 1.070 22 R CA -0.517 54.923 56.100 -1.099 0.000 1.014 22 R CB 0.627 30.143 30.300 -1.306 0.000 1.007 22 R HN 0.715 nan 8.270 nan 0.000 0.466 23 L N 6.285 127.143 121.223 -0.609 0.000 2.295 23 L HA 0.258 4.598 4.340 -0.000 0.000 0.288 23 L C 1.098 177.748 176.870 -0.366 0.000 1.079 23 L CA 0.270 54.779 54.840 -0.551 0.000 0.830 23 L CB 0.583 42.219 42.059 -0.704 0.000 1.200 23 L HN 1.137 nan 8.230 nan 0.000 0.438 24 A N 4.186 126.850 122.820 -0.260 0.000 5.483 24 A HA -0.311 4.009 4.320 -0.000 0.000 0.309 24 A C 0.705 178.189 177.584 -0.167 0.000 1.898 24 A CA 1.436 53.370 52.037 -0.171 0.000 0.716 24 A CB -1.087 17.804 19.000 -0.183 0.000 1.309 24 A HN 0.946 nan 8.150 nan 0.000 0.380 25 D N 0.060 120.404 120.400 -0.092 0.000 2.643 25 D HA 0.376 5.016 4.640 -0.000 0.000 0.244 25 D C 0.598 176.798 176.300 -0.166 0.000 1.257 25 D CA 0.967 54.899 54.000 -0.112 0.000 0.831 25 D CB -0.923 39.848 40.800 -0.049 0.000 1.043 25 D HN 1.101 nan 8.370 nan 0.000 0.488 26 T N -2.927 111.500 114.554 -0.212 0.000 2.880 26 T HA 0.306 4.656 4.350 -0.000 0.000 0.279 26 T C 0.771 175.432 174.700 -0.065 0.000 0.990 26 T CA -0.532 61.444 62.100 -0.206 0.000 0.938 26 T CB 1.757 70.537 68.868 -0.146 0.000 1.206 26 T HN -0.228 nan 8.240 nan 0.000 0.573 27 E N 0.011 120.346 120.200 0.224 0.000 2.463 27 E HA 0.271 4.621 4.350 -0.000 0.000 0.193 27 E C 0.021 176.708 176.600 0.145 0.000 1.041 27 E CA -0.084 56.437 56.400 0.202 0.000 0.879 27 E CB -0.182 29.666 29.700 0.246 0.000 0.997 27 E HN 0.544 nan 8.360 nan 0.000 0.478 28 L N 0.677 121.895 121.223 -0.010 0.000 2.319 28 L HA 0.224 4.564 4.340 -0.000 0.000 0.280 28 L C -0.395 176.361 176.870 -0.190 0.000 1.099 28 L CA -0.232 54.589 54.840 -0.032 0.000 0.828 28 L CB 0.370 42.376 42.059 -0.088 0.000 1.150 28 L HN -0.074 nan 8.230 nan 0.000 0.442 29 W N 4.909 126.160 121.300 -0.082 0.000 2.600 29 W HA 0.592 5.252 4.660 -0.000 0.000 0.325 29 W C -0.062 176.396 176.519 -0.101 0.000 1.034 29 W CA -0.464 56.825 57.345 -0.093 0.000 1.226 29 W CB 1.474 30.902 29.460 -0.053 0.000 1.379 29 W HN 0.259 nan 8.180 nan 0.000 0.466 30 I N -0.391 120.222 120.570 0.073 0.000 2.793 30 I HA 0.702 4.872 4.170 -0.000 0.000 0.313 30 I C -0.490 175.668 176.117 0.068 0.000 0.998 30 I CA -1.076 60.230 61.300 0.009 0.000 1.140 30 I CB 2.146 40.070 38.000 -0.126 0.000 1.327 30 I HN 0.401 nan 8.210 nan 0.000 0.491 31 E N 2.993 123.220 120.200 0.045 0.000 2.256 31 E HA 0.394 4.744 4.350 -0.000 0.000 0.268 31 E C -1.494 175.129 176.600 0.038 0.000 0.877 31 E CA -0.868 55.565 56.400 0.054 0.000 0.757 31 E CB 2.534 32.264 29.700 0.051 0.000 1.183 31 E HN 0.589 nan 8.360 nan 0.000 0.418 32 V N 5.046 124.988 119.914 0.047 0.000 2.458 32 V HA -0.047 4.072 4.120 -0.000 0.000 0.287 32 V C 0.988 177.114 176.094 0.053 0.000 1.009 32 V CA 0.750 63.081 62.300 0.051 0.000 1.091 32 V CB 0.507 32.374 31.823 0.074 0.000 0.960 32 V HN 0.816 nan 8.190 nan 0.000 0.476 33 E N 2.366 122.596 120.200 0.051 0.000 2.230 33 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 33 E C 0.263 176.902 176.600 0.066 0.000 0.987 33 E CA 0.479 56.914 56.400 0.058 0.000 0.841 33 E CB 0.363 30.102 29.700 0.064 0.000 0.783 33 E HN 0.755 nan 8.360 nan 0.000 0.481 34 D N -0.708 119.736 120.400 0.072 0.000 2.623 34 D HA 0.177 4.817 4.640 -0.000 0.000 0.241 34 D C -1.974 174.369 176.300 0.071 0.000 1.241 34 D CA -0.543 53.499 54.000 0.070 0.000 0.788 34 D CB 2.048 42.898 40.800 0.083 0.000 1.413 34 D HN -0.204 nan 8.370 nan 0.000 0.429 35 D N 1.984 122.411 120.400 0.045 0.000 2.686 35 D HA 0.223 4.863 4.640 -0.000 0.000 0.249 35 D C 0.131 176.417 176.300 -0.024 0.000 1.260 35 D CA -0.395 53.624 54.000 0.033 0.000 0.910 35 D CB 1.553 42.376 40.800 0.038 0.000 1.323 35 D HN 0.123 nan 8.370 nan 0.000 0.561 36 L N 2.407 123.633 121.223 0.004 0.000 2.599 36 L HA 0.154 4.494 4.340 -0.000 0.000 0.230 36 L C 1.453 178.289 176.870 -0.057 0.000 1.141 36 L CA 0.523 55.354 54.840 -0.015 0.000 0.877 36 L CB -0.494 41.583 42.059 0.029 0.000 1.009 36 L HN 0.364 nan 8.230 nan 0.000 0.447 37 T N -1.139 113.354 114.554 -0.102 0.000 2.824 37 T HA 0.293 4.643 4.350 -0.000 0.000 0.277 37 T C 0.174 174.721 174.700 -0.255 0.000 0.975 37 T CA -0.215 61.806 62.100 -0.132 0.000 0.966 37 T CB 0.701 69.517 68.868 -0.087 0.000 1.054 37 T HN 0.065 nan 8.240 nan 0.000 0.533 38 T N 3.263 117.706 114.554 -0.185 0.000 2.842 38 T HA 0.364 4.714 4.350 -0.000 0.000 0.308 38 T C -1.079 173.561 174.700 -0.100 0.000 1.041 38 T CA -0.274 61.724 62.100 -0.171 0.000 0.964 38 T CB -0.159 68.666 68.868 -0.071 0.000 0.972 38 T HN 0.442 nan 8.240 nan 0.000 0.460 39 Y N 1.952 122.234 120.300 -0.029 0.000 2.865 39 Y HA 0.273 4.823 4.550 -0.000 0.000 0.338 39 Y C 1.705 177.587 175.900 -0.029 0.000 1.269 39 Y CA 1.193 59.273 58.100 -0.034 0.000 1.585 39 Y CB -0.331 38.096 38.460 -0.055 0.000 1.224 39 Y HN 1.000 nan 8.280 nan 0.000 0.554 40 G N 2.201 111.075 108.800 0.123 0.000 2.213 40 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.236 40 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.236 40 G C 0.737 175.645 174.900 0.014 0.000 0.991 40 G CA 0.120 45.252 45.100 0.054 0.000 0.629 40 G HN 0.513 nan 8.290 nan 0.000 0.517 41 E N 0.932 121.130 120.200 -0.003 0.000 2.558 41 E HA 0.228 4.578 4.350 -0.000 0.000 0.205 41 E C 0.330 176.919 176.600 -0.019 0.000 1.006 41 E CA 0.030 56.428 56.400 -0.003 0.000 0.961 41 E CB 0.455 30.157 29.700 0.003 0.000 1.044 41 E HN 0.699 nan 8.360 nan 0.000 0.465 42 E N 0.769 120.919 120.200 -0.083 0.000 2.398 42 E HA 0.077 4.427 4.350 -0.000 0.000 0.263 42 E C 0.211 176.836 176.600 0.040 0.000 1.046 42 E CA -0.158 56.199 56.400 -0.071 0.000 0.908 42 E CB 0.864 30.385 29.700 -0.297 0.000 0.963 42 E HN -0.092 nan 8.360 nan 0.000 0.431 43 V N -0.032 119.933 119.914 0.086 0.000 2.465 43 V HA 0.502 4.622 4.120 -0.000 0.000 0.279 43 V C -0.026 176.172 176.094 0.173 0.000 1.045 43 V CA -0.591 61.781 62.300 0.119 0.000 0.938 43 V CB 1.000 32.884 31.823 0.101 0.000 0.986 43 V HN 0.509 nan 8.190 nan 0.000 0.467 44 K N 3.555 124.062 120.400 0.178 0.000 2.464 44 K HA 0.572 4.892 4.320 -0.000 0.000 0.253 44 K C -1.836 174.863 176.600 0.166 0.000 0.933 44 K CA -0.690 55.704 56.287 0.179 0.000 0.801 44 K CB 2.567 35.168 32.500 0.168 0.000 1.271 44 K HN 0.736 nan 8.250 nan 0.000 0.430 45 F N 1.552 121.524 119.950 0.037 0.000 2.422 45 F HA 0.713 5.240 4.527 -0.000 0.000 0.333 45 F C 0.153 175.958 175.800 0.008 0.000 1.095 45 F CA 0.363 58.376 58.000 0.021 0.000 1.038 45 F CB 1.719 40.730 39.000 0.017 0.000 1.156 45 F HN 0.658 nan 8.300 nan 0.000 0.483 46 G N 2.422 110.517 108.800 -1.175 0.000 2.361 46 G HA2 0.365 4.325 3.960 -0.000 0.000 0.305 46 G HA3 0.365 4.325 3.960 -0.000 0.000 0.305 46 G C -0.831 173.745 174.900 -0.540 0.000 1.367 46 G CA -0.512 44.105 45.100 -0.804 0.000 0.951 46 G HN 1.048 nan 8.290 nan 0.000 0.615 47 G N -0.818 107.780 108.800 -0.337 0.000 2.299 47 G HA2 0.552 4.512 3.960 -0.000 0.000 0.256 47 G HA3 0.552 4.512 3.960 -0.000 0.000 0.256 47 G C 1.452 176.263 174.900 -0.149 0.000 1.259 47 G CA 1.847 46.823 45.100 -0.206 0.000 0.943 47 G HN 2.468 nan 8.290 nan 0.000 0.479 48 G N 1.846 110.575 108.800 -0.118 0.000 2.205 48 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.261 48 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.261 48 G C 0.947 175.808 174.900 -0.064 0.000 0.980 48 G CA 0.754 45.810 45.100 -0.073 0.000 0.632 48 G HN 0.741 nan 8.290 nan 0.000 0.533 49 K N 0.065 120.406 120.400 -0.099 0.000 2.462 49 K HA 0.484 4.804 4.320 -0.000 0.000 0.257 49 K C 1.991 178.584 176.600 -0.012 0.000 1.062 49 K CA 0.272 56.524 56.287 -0.058 0.000 0.923 49 K CB -0.368 32.074 32.500 -0.096 0.000 1.210 49 K HN 0.141 nan 8.250 nan 0.000 0.502 50 V N 0.570 120.504 119.914 0.034 0.000 2.407 50 V HA -0.065 4.055 4.120 -0.000 0.000 0.245 50 V C 1.439 177.574 176.094 0.068 0.000 1.041 50 V CA 1.027 63.361 62.300 0.057 0.000 1.040 50 V CB -0.324 31.549 31.823 0.083 0.000 0.671 50 V HN 0.452 nan 8.190 nan 0.000 0.455 51 I N 2.583 123.217 120.570 0.107 0.000 2.501 51 I HA 0.130 4.300 4.170 -0.000 0.000 0.305 51 I C 0.347 176.546 176.117 0.136 0.000 1.197 51 I CA 0.718 62.107 61.300 0.149 0.000 1.793 51 I CB -0.798 37.354 38.000 0.254 0.000 1.521 51 I HN 0.252 nan 8.210 nan 0.000 0.843 52 R N 2.483 123.030 120.500 0.078 0.000 2.698 52 R HA 0.244 4.584 4.340 -0.000 0.000 0.275 52 R C -0.840 175.486 176.300 0.044 0.000 1.001 52 R CA -1.168 54.967 56.100 0.058 0.000 0.896 52 R CB 1.889 32.204 30.300 0.026 0.000 1.218 52 R HN 0.257 nan 8.270 nan 0.000 0.462 53 D N 0.463 120.885 120.400 0.037 0.000 2.658 53 D HA 0.003 4.643 4.640 -0.000 0.000 0.230 53 D C 1.222 177.535 176.300 0.021 0.000 1.118 53 D CA 2.599 56.615 54.000 0.026 0.000 0.848 53 D CB 0.362 41.175 40.800 0.021 0.000 1.160 53 D HN 0.697 nan 8.370 nan 0.000 0.497 54 G N 2.637 111.449 108.800 0.019 0.000 2.267 54 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.257 54 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.257 54 G C 0.761 175.672 174.900 0.020 0.000 0.998 54 G CA 0.903 46.013 45.100 0.017 0.000 0.620 54 G HN 0.524 nan 8.290 nan 0.000 0.529 55 M N -0.794 118.820 119.600 0.024 0.000 2.209 55 M HA 0.480 4.960 4.480 -0.000 0.000 0.195 55 M C 2.443 178.763 176.300 0.033 0.000 1.518 55 M CA 0.869 56.185 55.300 0.028 0.000 1.747 55 M CB -0.329 32.288 32.600 0.028 0.000 1.021 55 M HN 0.122 nan 8.290 nan 0.000 0.829 56 G N 0.046 108.872 108.800 0.043 0.000 2.776 56 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.209 56 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.209 56 G C 0.376 175.305 174.900 0.047 0.000 1.145 56 G CA 0.165 45.295 45.100 0.050 0.000 0.791 56 G HN 0.467 nan 8.290 nan 0.000 0.530 57 Q N 0.128 119.954 119.800 0.042 0.000 2.331 57 Q HA 0.552 4.892 4.340 -0.000 0.000 0.267 57 Q C 0.349 176.363 176.000 0.022 0.000 1.006 57 Q CA -0.665 55.158 55.803 0.034 0.000 0.818 57 Q CB 1.563 30.326 28.738 0.042 0.000 1.276 57 Q HN 0.142 nan 8.270 nan 0.000 0.450 58 G N 1.356 110.164 108.800 0.014 0.000 2.525 58 G HA2 0.105 4.065 3.960 -0.000 0.000 0.287 58 G HA3 0.105 4.065 3.960 -0.000 0.000 0.287 58 G C 0.060 174.963 174.900 0.005 0.000 1.350 58 G CA -0.184 44.922 45.100 0.009 0.000 1.039 58 G HN 0.671 nan 8.290 nan 0.000 0.513 59 Q N -0.243 119.559 119.800 0.003 0.000 2.198 59 Q HA 0.109 4.449 4.340 -0.000 0.000 0.209 59 Q C 0.992 176.990 176.000 -0.004 0.000 0.848 59 Q CA -0.318 55.485 55.803 0.000 0.000 0.974 59 Q CB 0.334 29.074 28.738 0.003 0.000 1.115 59 Q HN 0.656 nan 8.270 nan 0.000 0.494 60 M N -0.615 118.981 119.600 -0.007 0.000 2.226 60 M HA 0.286 4.766 4.480 -0.000 0.000 0.324 60 M C -0.017 176.272 176.300 -0.018 0.000 1.112 60 M CA -0.112 55.182 55.300 -0.011 0.000 1.176 60 M CB 0.279 32.871 32.600 -0.013 0.000 1.430 60 M HN -0.099 nan 8.290 nan 0.000 0.462 61 L N 1.981 123.193 121.223 -0.018 0.000 2.475 61 L HA 0.292 4.631 4.340 -0.000 0.000 0.253 61 L C 1.915 178.765 176.870 -0.034 0.000 1.198 61 L CA -0.199 54.628 54.840 -0.022 0.000 0.814 61 L CB 0.281 42.331 42.059 -0.016 0.000 1.134 61 L HN 1.014 nan 8.230 nan 0.000 0.478 62 A N 1.320 124.118 122.820 -0.037 0.000 1.958 62 A HA -0.235 4.085 4.320 -0.000 0.000 0.221 62 A C 2.223 179.772 177.584 -0.058 0.000 1.178 62 A CA 2.132 54.139 52.037 -0.050 0.000 0.642 62 A CB -0.817 18.157 19.000 -0.043 0.000 0.816 62 A HN 0.900 nan 8.150 nan 0.000 0.453 63 A N -0.978 121.818 122.820 -0.039 0.000 2.121 63 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 63 A C 1.294 178.853 177.584 -0.042 0.000 1.154 63 A CA 1.492 53.510 52.037 -0.033 0.000 0.679 63 A CB -0.218 18.776 19.000 -0.011 0.000 0.795 63 A HN 0.449 nan 8.150 nan 0.000 0.458 64 D N -0.841 119.531 120.400 -0.047 0.000 2.368 64 D HA 0.200 4.840 4.640 -0.000 0.000 0.218 64 D C 0.216 176.464 176.300 -0.086 0.000 1.112 64 D CA 0.581 54.555 54.000 -0.043 0.000 0.834 64 D CB -0.027 40.763 40.800 -0.016 0.000 0.953 64 D HN 0.599 nan 8.370 nan 0.000 0.505 65 C N -1.351 117.863 119.300 -0.143 0.000 3.241 65 C HA 0.743 5.203 4.460 -0.000 0.000 0.312 65 C C 0.251 175.071 174.990 -0.283 0.000 1.350 65 C CA -1.215 57.690 59.018 -0.188 0.000 1.415 65 C CB 1.017 28.692 27.740 -0.107 0.000 1.770 65 C HN 0.002 nan 8.230 nan 0.000 0.466 66 V N 0.131 119.853 119.914 -0.321 0.000 3.003 66 V HA 0.394 4.514 4.120 -0.000 0.000 0.305 66 V C 0.582 176.576 176.094 -0.167 0.000 1.078 66 V CA 0.497 62.605 62.300 -0.320 0.000 1.083 66 V CB 0.626 32.286 31.823 -0.272 0.000 1.039 66 V HN 0.913 nan 8.190 nan 0.000 0.481 67 D N 0.848 121.172 120.400 -0.126 0.000 2.213 67 D HA 0.161 4.801 4.640 -0.000 0.000 0.205 67 D C 0.227 176.487 176.300 -0.066 0.000 0.961 67 D CA 1.232 55.183 54.000 -0.081 0.000 0.853 67 D CB 0.554 41.320 40.800 -0.055 0.000 0.967 67 D HN 0.518 nan 8.370 nan 0.000 0.496 68 L N 0.079 121.271 121.223 -0.051 0.000 2.445 68 L HA 0.498 4.838 4.340 -0.000 0.000 0.262 68 L C -1.676 175.185 176.870 -0.016 0.000 0.974 68 L CA -0.826 53.992 54.840 -0.036 0.000 0.822 68 L CB 2.621 44.670 42.059 -0.016 0.000 1.339 68 L HN -0.279 nan 8.230 nan 0.000 0.409 69 V N 5.648 125.553 119.914 -0.015 0.000 2.638 69 V HA 0.608 4.728 4.120 -0.000 0.000 0.306 69 V C -1.344 174.764 176.094 0.024 0.000 1.052 69 V CA -0.452 61.857 62.300 0.015 0.000 0.885 69 V CB 1.987 33.819 31.823 0.015 0.000 0.999 69 V HN 0.723 nan 8.190 nan 0.000 0.424 70 L N 6.581 127.835 121.223 0.052 0.000 2.264 70 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 70 L C 0.682 177.600 176.870 0.079 0.000 1.039 70 L CA 0.072 54.948 54.840 0.060 0.000 0.829 70 L CB 1.650 43.752 42.059 0.072 0.000 1.211 70 L HN 0.844 nan 8.230 nan 0.000 0.427 71 T N -0.316 114.287 114.554 0.081 0.000 2.897 71 T HA 0.245 4.595 4.350 -0.000 0.000 0.294 71 T C 0.627 175.397 174.700 0.117 0.000 1.004 71 T CA -0.678 61.484 62.100 0.102 0.000 1.106 71 T CB 0.493 69.431 68.868 0.115 0.000 0.949 71 T HN 0.604 nan 8.240 nan 0.000 0.520 72 N N 0.142 118.919 118.700 0.129 0.000 2.714 72 N HA -0.162 4.578 4.740 -0.000 0.000 0.252 72 N C 0.002 175.593 175.510 0.135 0.000 1.014 72 N CA 0.859 53.997 53.050 0.146 0.000 0.735 72 N CB -1.627 36.970 38.487 0.183 0.000 0.924 72 N HN 1.115 nan 8.380 nan 0.000 0.540 73 A N 0.191 123.086 122.820 0.126 0.000 2.327 73 A HA 0.529 4.849 4.320 -0.000 0.000 0.283 73 A C 0.478 178.135 177.584 0.121 0.000 1.127 73 A CA -0.534 51.577 52.037 0.124 0.000 0.810 73 A CB 0.757 19.832 19.000 0.124 0.000 1.066 73 A HN 0.320 nan 8.150 nan 0.000 0.492 74 L N 4.469 125.759 121.223 0.113 0.000 2.288 74 L HA 0.441 4.781 4.340 -0.000 0.000 0.283 74 L C -0.439 176.473 176.870 0.070 0.000 1.072 74 L CA -0.143 54.748 54.840 0.086 0.000 0.862 74 L CB -0.315 41.785 42.059 0.069 0.000 1.245 74 L HN 0.559 nan 8.230 nan 0.000 0.432 75 I N 4.980 125.581 120.570 0.052 0.000 2.529 75 I HA 0.189 4.359 4.170 -0.000 0.000 0.284 75 I C -0.300 175.750 176.117 -0.111 0.000 1.082 75 I CA -0.335 60.968 61.300 0.004 0.000 1.406 75 I CB 1.047 39.050 38.000 0.006 0.000 1.405 75 I HN 0.232 nan 8.210 nan 0.000 0.548 76 V N 5.622 125.479 119.914 -0.095 0.000 2.357 76 V HA 0.373 4.493 4.120 -0.000 0.000 0.281 76 V C -0.612 175.376 176.094 -0.176 0.000 1.015 76 V CA -0.356 61.859 62.300 -0.142 0.000 0.827 76 V CB 1.321 33.102 31.823 -0.070 0.000 1.018 76 V HN 0.678 nan 8.190 nan 0.000 0.432 77 D N 0.723 120.853 120.400 -0.450 0.000 2.559 77 D HA 0.336 4.976 4.640 -0.000 0.000 0.250 77 D C 0.948 176.969 176.300 -0.465 0.000 1.135 77 D CA -0.456 53.230 54.000 -0.524 0.000 0.955 77 D CB 1.612 41.815 40.800 -0.996 0.000 1.442 77 D HN 0.673 nan 8.370 nan 0.000 0.471 78 H N -0.121 118.849 119.070 -0.167 0.000 2.489 78 H HA -0.072 4.484 4.556 -0.000 0.000 0.295 78 H C 1.409 176.847 175.328 0.183 0.000 1.082 78 H CA 1.760 57.845 56.048 0.062 0.000 1.295 78 H CB -0.331 29.505 29.762 0.124 0.000 1.380 78 H HN 0.514 nan 8.280 nan 0.000 0.548 79 W N 0.287 121.457 121.300 -0.217 0.000 3.077 79 W HA 0.591 5.251 4.660 -0.000 0.000 0.266 79 W C -0.147 176.396 176.519 0.041 0.000 1.300 79 W CA 0.135 57.461 57.345 -0.031 0.000 1.586 79 W CB 0.205 29.550 29.460 -0.191 0.000 1.103 79 W HN 0.397 nan 8.180 nan 0.000 0.652 80 G N 0.979 109.568 108.800 -0.352 0.000 2.340 80 G HA2 0.393 4.353 3.960 -0.000 0.000 0.298 80 G HA3 0.393 4.353 3.960 -0.000 0.000 0.298 80 G C -2.047 172.605 174.900 -0.414 0.000 1.498 80 G CA -1.071 43.908 45.100 -0.200 0.000 0.847 80 G HN 0.049 nan 8.290 nan 0.000 0.594 81 I N 1.642 122.109 120.570 -0.171 0.000 2.502 81 I HA 0.459 4.629 4.170 -0.000 0.000 0.276 81 I C 0.256 176.343 176.117 -0.051 0.000 1.057 81 I CA -0.901 60.314 61.300 -0.143 0.000 1.163 81 I CB 1.281 39.228 38.000 -0.088 0.000 1.288 81 I HN 0.563 nan 8.210 nan 0.000 0.479 82 V N 2.160 122.051 119.914 -0.039 0.000 3.074 82 V HA 0.679 4.799 4.120 -0.000 0.000 0.314 82 V C -0.676 175.466 176.094 0.079 0.000 1.117 82 V CA -1.058 61.278 62.300 0.060 0.000 1.014 82 V CB 2.206 34.120 31.823 0.152 0.000 1.057 82 V HN 0.506 nan 8.190 nan 0.000 0.438 83 K N 1.439 121.899 120.400 0.101 0.000 2.213 83 K HA 0.912 5.232 4.320 -0.000 0.000 0.270 83 K C -0.520 176.150 176.600 0.116 0.000 1.002 83 K CA 0.622 56.977 56.287 0.114 0.000 0.868 83 K CB 1.058 33.636 32.500 0.130 0.000 1.093 83 K HN 1.673 nan 8.250 nan 0.000 0.454 84 A N 3.072 125.966 122.820 0.123 0.000 2.544 84 A HA 0.387 4.707 4.320 -0.000 0.000 0.291 84 A C -1.788 175.867 177.584 0.118 0.000 1.055 84 A CA -0.960 51.146 52.037 0.115 0.000 0.651 84 A CB 0.719 19.797 19.000 0.130 0.000 1.296 84 A HN 0.661 nan 8.150 nan 0.000 0.431 85 D N 0.589 121.052 120.400 0.106 0.000 2.210 85 D HA 0.588 5.228 4.640 -0.000 0.000 0.249 85 D C -0.491 175.878 176.300 0.116 0.000 1.062 85 D CA 0.361 54.424 54.000 0.105 0.000 0.891 85 D CB 1.328 42.183 40.800 0.091 0.000 1.186 85 D HN 0.439 nan 8.370 nan 0.000 0.432 86 I N 0.838 121.478 120.570 0.116 0.000 2.378 86 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 86 I C 0.788 176.980 176.117 0.124 0.000 0.992 86 I CA -0.804 60.574 61.300 0.129 0.000 1.154 86 I CB 2.027 40.106 38.000 0.132 0.000 1.315 86 I HN 0.185 nan 8.210 nan 0.000 0.448 87 G N 5.162 114.061 108.800 0.164 0.000 2.356 87 G HA2 0.628 4.588 3.960 -0.000 0.000 0.322 87 G HA3 0.628 4.588 3.960 -0.000 0.000 0.322 87 G C -1.020 173.997 174.900 0.195 0.000 1.125 87 G CA -0.368 44.838 45.100 0.177 0.000 0.885 87 G HN 0.348 nan 8.290 nan 0.000 0.467 88 V N 1.803 121.784 119.914 0.111 0.000 2.577 88 V HA 0.590 4.710 4.120 -0.000 0.000 0.303 88 V C -0.204 175.918 176.094 0.046 0.000 1.042 88 V CA -0.825 61.540 62.300 0.109 0.000 0.872 88 V CB 1.800 33.669 31.823 0.075 0.000 0.998 88 V HN 0.820 nan 8.190 nan 0.000 0.423 89 K N 2.996 123.450 120.400 0.089 0.000 2.482 89 K HA 0.446 4.766 4.320 -0.000 0.000 0.251 89 K C -0.669 175.978 176.600 0.079 0.000 0.936 89 K CA -0.489 55.812 56.287 0.023 0.000 0.791 89 K CB 1.428 33.885 32.500 -0.072 0.000 1.213 89 K HN 0.686 nan 8.250 nan 0.000 0.428 90 D N 3.072 123.505 120.400 0.055 0.000 2.772 90 D HA -0.183 4.456 4.640 -0.000 0.000 0.233 90 D C 0.581 176.938 176.300 0.096 0.000 1.143 90 D CA 1.760 55.809 54.000 0.081 0.000 0.700 90 D CB -1.163 39.688 40.800 0.084 0.000 1.076 90 D HN 1.100 nan 8.370 nan 0.000 0.430 91 G N -0.444 108.410 108.800 0.089 0.000 2.168 91 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.263 91 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.263 91 G C 0.361 175.308 174.900 0.079 0.000 0.977 91 G CA 0.831 45.983 45.100 0.086 0.000 0.659 91 G HN 0.554 nan 8.290 nan 0.000 0.533 92 R N -0.935 119.620 120.500 0.092 0.000 2.854 92 R HA 0.628 4.968 4.340 -0.000 0.000 0.271 92 R C 0.127 176.504 176.300 0.128 0.000 0.994 92 R CA -1.217 54.943 56.100 0.099 0.000 0.945 92 R CB 1.394 31.748 30.300 0.091 0.000 1.194 92 R HN 0.155 nan 8.270 nan 0.000 0.476 93 I N 2.636 123.277 120.570 0.118 0.000 2.581 93 I HA -0.094 4.076 4.170 -0.000 0.000 0.285 93 I C 0.962 177.166 176.117 0.145 0.000 1.129 93 I CA 0.389 61.768 61.300 0.132 0.000 1.397 93 I CB 0.168 38.231 38.000 0.106 0.000 1.399 93 I HN 0.613 nan 8.210 nan 0.000 0.537 94 F N 6.981 126.951 119.950 0.034 0.000 2.179 94 F HA 0.373 4.900 4.527 -0.000 0.000 0.292 94 F C 1.047 176.857 175.800 0.018 0.000 1.089 94 F CA 0.807 58.822 58.000 0.025 0.000 1.295 94 F CB 0.317 39.331 39.000 0.023 0.000 1.041 94 F HN 0.475 nan 8.300 nan 0.000 0.487 95 A N -0.304 122.576 122.820 0.100 0.000 2.586 95 A HA 0.595 4.915 4.320 -0.000 0.000 0.291 95 A C -1.634 175.997 177.584 0.078 0.000 1.062 95 A CA -0.604 51.423 52.037 -0.017 0.000 0.666 95 A CB 0.465 19.444 19.000 -0.034 0.000 1.281 95 A HN 0.094 nan 8.150 nan 0.000 0.421 96 I N 1.424 122.013 120.570 0.032 0.000 2.448 96 I HA 0.619 4.789 4.170 -0.000 0.000 0.281 96 I C 0.616 176.766 176.117 0.054 0.000 1.027 96 I CA 0.144 61.487 61.300 0.073 0.000 1.111 96 I CB 1.488 39.529 38.000 0.070 0.000 1.236 96 I HN 1.057 nan 8.210 nan 0.000 0.452 97 G N 5.271 114.116 108.800 0.075 0.000 2.795 97 G HA2 0.254 4.214 3.960 -0.000 0.000 0.127 97 G HA3 0.254 4.214 3.960 -0.000 0.000 0.127 97 G C -1.503 173.432 174.900 0.058 0.000 1.203 97 G CA -0.348 44.786 45.100 0.056 0.000 1.145 97 G HN 0.253 nan 8.290 nan 0.000 0.580 98 K N 1.110 121.539 120.400 0.049 0.000 2.339 98 K HA 0.712 5.032 4.320 -0.000 0.000 0.264 98 K C -0.403 176.229 176.600 0.054 0.000 0.986 98 K CA -0.318 55.993 56.287 0.040 0.000 0.866 98 K CB 1.136 33.646 32.500 0.017 0.000 1.103 98 K HN 0.725 nan 8.250 nan 0.000 0.441 99 A N 2.480 125.335 122.820 0.058 0.000 2.282 99 A HA 0.869 5.189 4.320 -0.000 0.000 0.319 99 A C 0.288 177.902 177.584 0.049 0.000 1.121 99 A CA 0.313 52.386 52.037 0.059 0.000 0.836 99 A CB 1.009 20.047 19.000 0.064 0.000 1.146 99 A HN 0.887 nan 8.150 nan 0.000 0.494 100 G N 0.175 109.001 108.800 0.043 0.000 2.356 100 G HA2 0.287 4.247 3.960 -0.000 0.000 0.266 100 G HA3 0.287 4.247 3.960 -0.000 0.000 0.266 100 G C -1.573 173.346 174.900 0.031 0.000 1.312 100 G CA -0.279 44.845 45.100 0.039 0.000 0.922 100 G HN 1.053 nan 8.290 nan 0.000 0.480 101 N N 0.902 119.619 118.700 0.029 0.000 2.479 101 N HA 0.599 5.339 4.740 -0.000 0.000 0.261 101 N C -1.754 173.770 175.510 0.022 0.000 0.979 101 N CA -2.303 50.761 53.050 0.024 0.000 0.930 101 N CB 2.468 40.969 38.487 0.024 0.000 1.172 101 N HN 0.014 nan 8.380 nan 0.000 0.499 102 P HA -0.032 nan 4.420 nan 0.000 0.225 102 P C 0.240 177.551 177.300 0.017 0.000 1.148 102 P CA 0.813 63.926 63.100 0.020 0.000 0.779 102 P CB 0.462 32.175 31.700 0.022 0.000 0.780 103 D N -0.724 119.686 120.400 0.016 0.000 2.144 103 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 103 D C 1.720 178.029 176.300 0.015 0.000 0.978 103 D CA 1.215 55.223 54.000 0.015 0.000 0.833 103 D CB -0.129 40.679 40.800 0.013 0.000 0.961 103 D HN 0.346 nan 8.370 nan 0.000 0.470 104 I N -3.560 117.020 120.570 0.017 0.000 4.592 104 I HA 0.234 4.404 4.170 -0.000 0.000 0.329 104 I C 0.098 176.226 176.117 0.018 0.000 1.309 104 I CA -0.384 60.926 61.300 0.017 0.000 1.243 104 I CB 0.376 38.387 38.000 0.019 0.000 1.241 104 I HN -0.316 nan 8.210 nan 0.000 0.434 105 Q N 3.564 123.376 119.800 0.019 0.000 2.266 105 Q HA 0.544 4.884 4.340 -0.000 0.000 0.261 105 Q C -2.506 173.503 176.000 0.016 0.000 0.985 105 Q CA -2.008 53.807 55.803 0.019 0.000 0.873 105 Q CB 1.923 30.674 28.738 0.022 0.000 1.306 105 Q HN 0.127 nan 8.270 nan 0.000 0.447 106 P HA 0.165 nan 4.420 nan 0.000 0.282 106 P C -1.032 176.272 177.300 0.006 0.000 1.259 106 P CA -0.284 62.821 63.100 0.008 0.000 0.826 106 P CB 0.750 32.453 31.700 0.005 0.000 1.064 107 N N -1.947 116.756 118.700 0.005 0.000 2.708 107 N HA -0.137 4.603 4.740 -0.000 0.000 0.251 107 N C -0.311 175.207 175.510 0.013 0.000 1.123 107 N CA 0.210 53.262 53.050 0.004 0.000 0.739 107 N CB -1.706 36.776 38.487 -0.008 0.000 1.113 107 N HN 0.159 nan 8.380 nan 0.000 0.561 108 V N 1.054 120.981 119.914 0.021 0.000 2.479 108 V HA 0.084 4.204 4.120 -0.000 0.000 0.281 108 V C 1.718 177.840 176.094 0.046 0.000 1.031 108 V CA 1.181 63.501 62.300 0.033 0.000 1.038 108 V CB 1.057 32.900 31.823 0.034 0.000 0.981 108 V HN 0.491 nan 8.190 nan 0.000 0.478 109 T N 1.725 116.315 114.554 0.060 0.000 2.971 109 T HA 0.378 4.728 4.350 -0.000 0.000 0.252 109 T C 0.320 175.112 174.700 0.154 0.000 1.022 109 T CA 0.165 62.315 62.100 0.084 0.000 0.980 109 T CB 0.129 69.030 68.868 0.056 0.000 1.044 109 T HN 0.349 nan 8.240 nan 0.000 0.501 110 I N 3.938 124.588 120.570 0.134 0.000 2.464 110 I HA 0.359 4.529 4.170 -0.000 0.000 0.277 110 I C -2.685 173.472 176.117 0.067 0.000 1.040 110 I CA -2.722 58.672 61.300 0.155 0.000 1.153 110 I CB 2.014 40.103 38.000 0.149 0.000 1.274 110 I HN -0.056 nan 8.210 nan 0.000 0.469 111 P HA 0.211 nan 4.420 nan 0.000 0.276 111 P C -0.486 176.793 177.300 -0.035 0.000 1.243 111 P CA 0.177 63.276 63.100 -0.003 0.000 0.768 111 P CB 1.113 32.807 31.700 -0.010 0.000 0.856 112 I N 2.957 123.519 120.570 -0.012 0.000 2.336 112 I HA 0.503 4.673 4.170 -0.000 0.000 0.292 112 I C 1.122 177.230 176.117 -0.016 0.000 0.991 112 I CA -0.044 61.246 61.300 -0.016 0.000 1.227 112 I CB 1.641 39.648 38.000 0.011 0.000 1.366 112 I HN 0.427 nan 8.210 nan 0.000 0.466 113 G N 3.002 111.784 108.800 -0.030 0.000 3.176 113 G HA2 0.541 4.501 3.960 -0.000 0.000 0.272 113 G HA3 0.541 4.501 3.960 -0.000 0.000 0.272 113 G C 0.568 175.455 174.900 -0.022 0.000 1.349 113 G CA 0.029 45.115 45.100 -0.023 0.000 0.953 113 G HN 0.600 nan 8.290 nan 0.000 0.559 114 A N -0.799 122.009 122.820 -0.019 0.000 2.024 114 A HA 0.231 4.551 4.320 -0.000 0.000 0.220 114 A C 2.339 179.903 177.584 -0.033 0.000 1.164 114 A CA 2.587 54.613 52.037 -0.019 0.000 0.643 114 A CB -0.596 18.394 19.000 -0.016 0.000 0.806 114 A HN 1.499 nan 8.150 nan 0.000 0.451 115 A N -0.943 121.851 122.820 -0.043 0.000 2.278 115 A HA 0.330 4.650 4.320 -0.000 0.000 0.212 115 A C 0.803 178.348 177.584 -0.066 0.000 1.213 115 A CA 0.544 52.548 52.037 -0.055 0.000 0.840 115 A CB -0.462 18.503 19.000 -0.057 0.000 0.866 115 A HN 0.272 nan 8.150 nan 0.000 0.489 116 T N 1.184 115.699 114.554 -0.064 0.000 2.743 116 T HA 0.393 4.743 4.350 -0.000 0.000 0.293 116 T C -0.195 174.451 174.700 -0.091 0.000 0.945 116 T CA -0.237 61.819 62.100 -0.073 0.000 1.030 116 T CB 1.273 70.104 68.868 -0.062 0.000 0.912 116 T HN 0.470 nan 8.240 nan 0.000 0.483 117 E N 2.650 122.789 120.200 -0.101 0.000 2.283 117 E HA 0.501 4.851 4.350 -0.000 0.000 0.271 117 E C -1.151 175.357 176.600 -0.153 0.000 1.031 117 E CA -0.627 55.690 56.400 -0.138 0.000 0.868 117 E CB 0.876 30.507 29.700 -0.115 0.000 1.094 117 E HN 0.310 nan 8.360 nan 0.000 0.401 118 V N 4.769 124.538 119.914 -0.243 0.000 2.656 118 V HA 0.454 4.574 4.120 -0.000 0.000 0.307 118 V C -0.277 175.705 176.094 -0.188 0.000 1.051 118 V CA -0.677 61.489 62.300 -0.225 0.000 0.893 118 V CB 1.593 33.211 31.823 -0.342 0.000 0.999 118 V HN 0.668 nan 8.190 nan 0.000 0.426 119 I N 3.479 124.000 120.570 -0.082 0.000 2.418 119 I HA 0.598 4.768 4.170 -0.000 0.000 0.287 119 I C 0.341 176.465 176.117 0.011 0.000 1.008 119 I CA -0.657 60.621 61.300 -0.037 0.000 1.104 119 I CB 1.902 39.893 38.000 -0.015 0.000 1.264 119 I HN 0.703 nan 8.210 nan 0.000 0.438 120 A N 5.095 127.936 122.820 0.034 0.000 2.343 120 A HA 0.611 4.931 4.320 -0.000 0.000 0.305 120 A C 0.738 178.362 177.584 0.066 0.000 1.308 120 A CA -0.166 51.914 52.037 0.072 0.000 0.949 120 A CB 0.354 19.413 19.000 0.098 0.000 1.148 120 A HN 0.882 nan 8.150 nan 0.000 0.545 121 A N 2.913 125.780 122.820 0.078 0.000 2.465 121 A HA 0.275 4.595 4.320 -0.000 0.000 0.255 121 A C 0.675 178.316 177.584 0.096 0.000 1.274 121 A CA -0.275 51.813 52.037 0.085 0.000 0.920 121 A CB -0.145 18.910 19.000 0.091 0.000 1.033 121 A HN 0.812 nan 8.150 nan 0.000 0.516 122 E N 0.066 120.322 120.200 0.093 0.000 2.417 122 E HA 0.283 4.633 4.350 -0.000 0.000 0.261 122 E C 0.846 177.491 176.600 0.074 0.000 1.000 122 E CA 0.544 57.000 56.400 0.093 0.000 0.919 122 E CB 0.128 29.872 29.700 0.073 0.000 0.955 122 E HN 0.912 nan 8.360 nan 0.000 0.455 123 G N 2.795 111.646 108.800 0.086 0.000 2.176 123 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.253 123 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.253 123 G C -0.004 174.952 174.900 0.095 0.000 0.979 123 G CA 0.359 45.505 45.100 0.078 0.000 0.641 123 G HN 0.480 nan 8.290 nan 0.000 0.530 124 K N -0.201 120.266 120.400 0.111 0.000 2.238 124 K HA 0.759 5.079 4.320 -0.000 0.000 0.239 124 K C 0.019 176.717 176.600 0.163 0.000 0.987 124 K CA -0.889 55.486 56.287 0.147 0.000 0.857 124 K CB 1.933 34.517 32.500 0.139 0.000 1.154 124 K HN 0.204 nan 8.250 nan 0.000 0.439 125 I N 1.442 122.156 120.570 0.240 0.000 2.377 125 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 125 I C -0.471 175.882 176.117 0.395 0.000 0.987 125 I CA -1.095 60.360 61.300 0.259 0.000 1.185 125 I CB 1.821 39.959 38.000 0.230 0.000 1.341 125 I HN 0.003 nan 8.210 nan 0.000 0.455 126 V N 4.818 124.908 119.914 0.294 0.000 2.495 126 V HA 0.609 4.729 4.120 -0.000 0.000 0.298 126 V C 0.106 176.386 176.094 0.310 0.000 1.031 126 V CA -0.354 62.115 62.300 0.280 0.000 0.871 126 V CB 1.932 33.862 31.823 0.177 0.000 0.988 126 V HN 0.906 nan 8.190 nan 0.000 0.432 127 T N 1.512 116.289 114.554 0.370 0.000 2.883 127 T HA 0.863 5.213 4.350 -0.000 0.000 0.296 127 T C -0.134 174.737 174.700 0.284 0.000 1.117 127 T CA -0.305 62.015 62.100 0.367 0.000 1.006 127 T CB 1.923 71.146 68.868 0.591 0.000 1.191 127 T HN 1.001 nan 8.240 nan 0.000 0.508 128 A N 0.428 123.400 122.820 0.253 0.000 2.327 128 A HA 0.709 5.029 4.320 -0.000 0.000 0.255 128 A C 0.930 178.662 177.584 0.246 0.000 1.099 128 A CA -0.143 52.025 52.037 0.218 0.000 0.801 128 A CB -0.654 18.467 19.000 0.201 0.000 1.062 128 A HN 1.402 nan 8.150 nan 0.000 0.496 129 G N -0.558 108.362 108.800 0.201 0.000 2.415 129 G HA2 0.488 4.448 3.960 -0.000 0.000 0.269 129 G HA3 0.488 4.448 3.960 -0.000 0.000 0.269 129 G C 0.501 175.553 174.900 0.254 0.000 1.209 129 G CA 0.182 45.404 45.100 0.204 0.000 0.835 129 G HN 1.118 nan 8.290 nan 0.000 0.534 130 G N -0.418 108.570 108.800 0.314 0.000 2.636 130 G HA2 0.448 4.408 3.960 -0.000 0.000 0.246 130 G HA3 0.448 4.408 3.960 -0.000 0.000 0.246 130 G C -0.291 174.751 174.900 0.237 0.000 1.216 130 G CA -0.478 44.852 45.100 0.384 0.000 0.854 130 G HN 0.646 nan 8.290 nan 0.000 0.572 131 I N 0.851 121.555 120.570 0.223 0.000 2.468 131 I HA 0.170 4.340 4.170 -0.000 0.000 0.284 131 I C -1.272 174.915 176.117 0.118 0.000 1.038 131 I CA -0.724 60.661 61.300 0.141 0.000 1.083 131 I CB 2.106 40.169 38.000 0.106 0.000 1.223 131 I HN 0.299 nan 8.210 nan 0.000 0.443 132 D N 4.482 124.930 120.400 0.080 0.000 2.274 132 D HA 0.229 4.869 4.640 -0.000 0.000 0.239 132 D C 0.769 177.087 176.300 0.030 0.000 1.104 132 D CA -0.125 53.907 54.000 0.054 0.000 0.840 132 D CB 1.587 42.392 40.800 0.009 0.000 1.100 132 D HN 0.610 nan 8.370 nan 0.000 0.477 133 T N 0.353 114.950 114.554 0.071 0.000 3.214 133 T HA 0.154 4.504 4.350 -0.000 0.000 0.264 133 T C 0.424 175.204 174.700 0.133 0.000 1.012 133 T CA -0.269 61.857 62.100 0.043 0.000 0.901 133 T CB -0.485 68.433 68.868 0.082 0.000 1.070 133 T HN 0.495 nan 8.240 nan 0.000 0.561 134 H N 0.562 119.584 119.070 -0.080 0.000 2.597 134 H HA 0.445 5.001 4.556 -0.000 0.000 0.225 134 H C -0.943 174.233 175.328 -0.253 0.000 1.422 134 H CA -0.860 55.020 56.048 -0.281 0.000 1.335 134 H CB -0.045 29.437 29.762 -0.466 0.000 1.783 134 H HN 0.199 nan 8.280 nan 0.000 0.513 135 I N 2.051 122.539 120.570 -0.136 0.000 2.392 135 I HA 0.174 4.344 4.170 -0.000 0.000 0.295 135 I C 0.211 176.113 176.117 -0.358 0.000 0.985 135 I CA -0.348 60.755 61.300 -0.328 0.000 1.221 135 I CB 1.300 38.855 38.000 -0.741 0.000 1.366 135 I HN 0.580 nan 8.210 nan 0.000 0.467 136 H N 5.166 124.051 119.070 -0.310 0.000 2.638 136 H HA 0.144 4.700 4.556 -0.000 0.000 0.303 136 H C -0.889 174.331 175.328 -0.179 0.000 1.034 136 H CA -0.405 55.552 56.048 -0.151 0.000 1.225 136 H CB 0.731 30.473 29.762 -0.034 0.000 1.394 136 H HN 0.550 nan 8.280 nan 0.000 0.477 137 W N 5.456 126.828 121.300 0.120 0.000 1.839 137 W HA 0.118 4.777 4.660 -0.000 0.000 0.489 137 W C 1.014 177.577 176.519 0.073 0.000 0.789 137 W CA -0.262 57.131 57.345 0.080 0.000 1.900 137 W CB -0.253 29.236 29.460 0.048 0.000 1.773 137 W HN 0.638 nan 8.180 nan 0.000 0.251 138 I N 1.397 122.121 120.570 0.256 0.000 2.480 138 I HA -0.058 4.112 4.170 -0.000 0.000 0.251 138 I C 1.058 177.283 176.117 0.180 0.000 1.124 138 I CA 0.631 62.046 61.300 0.192 0.000 1.444 138 I CB -0.059 38.045 38.000 0.175 0.000 1.098 138 I HN 0.256 nan 8.210 nan 0.000 0.428 139 C N -1.920 117.504 119.300 0.207 0.000 3.082 139 C HA 0.413 4.873 4.460 -0.000 0.000 0.324 139 C C -1.962 173.167 174.990 0.231 0.000 1.210 139 C CA -1.436 57.686 59.018 0.173 0.000 1.366 139 C CB 1.357 29.167 27.740 0.117 0.000 1.756 139 C HN -0.023 nan 8.230 nan 0.000 0.485 140 P HA -0.043 nan 4.420 nan 0.000 0.229 140 P C 0.955 178.352 177.300 0.161 0.000 1.160 140 P CA 1.385 64.584 63.100 0.164 0.000 0.777 140 P CB 0.229 31.970 31.700 0.068 0.000 0.814 141 Q N -0.004 119.871 119.800 0.125 0.000 2.437 141 Q HA -0.079 4.261 4.340 -0.000 0.000 0.210 141 Q C 2.299 178.360 176.000 0.101 0.000 0.972 141 Q CA 1.078 56.937 55.803 0.093 0.000 0.903 141 Q CB -0.708 28.067 28.738 0.063 0.000 0.967 141 Q HN 0.443 nan 8.270 nan 0.000 0.486 142 Q N -0.479 119.406 119.800 0.141 0.000 2.167 142 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 142 Q C 1.967 178.040 176.000 0.123 0.000 0.970 142 Q CA 1.151 57.016 55.803 0.103 0.000 0.855 142 Q CB -0.159 28.623 28.738 0.074 0.000 0.911 142 Q HN 0.476 nan 8.270 nan 0.000 0.438 143 A N 1.260 124.212 122.820 0.219 0.000 1.933 143 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 143 A C 1.909 179.558 177.584 0.109 0.000 1.175 143 A CA 1.615 53.776 52.037 0.207 0.000 0.628 143 A CB -0.425 18.721 19.000 0.244 0.000 0.814 143 A HN 0.428 nan 8.150 nan 0.000 0.444 144 E N -0.549 119.701 120.200 0.083 0.000 2.072 144 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 144 E C 1.956 178.566 176.600 0.016 0.000 0.985 144 E CA 1.326 57.754 56.400 0.047 0.000 0.801 144 E CB -0.116 29.612 29.700 0.046 0.000 0.750 144 E HN 0.543 nan 8.360 nan 0.000 0.452 145 E N 0.411 120.622 120.200 0.017 0.000 2.058 145 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 145 E C 1.766 178.350 176.600 -0.026 0.000 0.997 145 E CA 1.627 58.019 56.400 -0.012 0.000 0.801 145 E CB -0.352 29.344 29.700 -0.007 0.000 0.746 145 E HN 0.364 nan 8.360 nan 0.000 0.450 146 A N 0.160 122.978 122.820 -0.003 0.000 1.898 146 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 146 A C 2.197 179.780 177.584 -0.001 0.000 1.181 146 A CA 1.433 53.468 52.037 -0.003 0.000 0.620 146 A CB -0.774 18.235 19.000 0.014 0.000 0.819 146 A HN 0.359 nan 8.150 nan 0.000 0.442 147 L N 0.003 121.232 121.223 0.010 0.000 2.046 147 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 147 L C 2.348 179.184 176.870 -0.056 0.000 1.077 147 L CA 1.859 56.700 54.840 0.003 0.000 0.747 147 L CB -0.466 41.608 42.059 0.024 0.000 0.896 147 L HN 0.150 nan 8.230 nan 0.000 0.432 148 V N -0.328 119.520 119.914 -0.111 0.000 2.490 148 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 148 V C 2.641 178.570 176.094 -0.274 0.000 1.061 148 V CA 1.694 63.820 62.300 -0.290 0.000 1.064 148 V CB -0.897 30.668 31.823 -0.430 0.000 0.670 148 V HN 0.773 nan 8.190 nan 0.000 0.461 149 S N -0.396 115.229 115.700 -0.125 0.000 2.496 149 S HA 0.234 4.704 4.470 -0.000 0.000 0.224 149 S C 1.563 176.197 174.600 0.057 0.000 0.996 149 S CA 0.867 59.053 58.200 -0.023 0.000 0.927 149 S CB 0.616 63.812 63.200 -0.006 0.000 0.774 149 S HN 1.169 nan 8.310 nan 0.000 0.524 150 G N -0.117 108.676 108.800 -0.012 0.000 2.154 150 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.186 150 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.186 150 G C -0.189 174.772 174.900 0.102 0.000 1.000 150 G CA -0.191 44.921 45.100 0.020 0.000 0.664 150 G HN 0.605 nan 8.290 nan 0.000 0.513 151 V N 2.184 122.141 119.914 0.072 0.000 2.364 151 V HA 0.529 4.649 4.120 -0.000 0.000 0.272 151 V C 1.468 177.620 176.094 0.096 0.000 1.036 151 V CA 0.689 63.048 62.300 0.099 0.000 0.880 151 V CB 1.225 33.085 31.823 0.061 0.000 0.991 151 V HN 0.584 nan 8.190 nan 0.000 0.460 152 T N -0.013 114.614 114.554 0.122 0.000 3.040 152 T HA 0.139 4.489 4.350 -0.000 0.000 0.250 152 T C 0.642 175.430 174.700 0.148 0.000 1.058 152 T CA -0.005 62.166 62.100 0.118 0.000 0.988 152 T CB 0.205 69.139 68.868 0.110 0.000 0.993 152 T HN 0.538 nan 8.240 nan 0.000 0.519 153 T N 2.264 116.914 114.554 0.161 0.000 2.861 153 T HA 0.695 5.045 4.350 -0.000 0.000 0.287 153 T C -0.994 173.806 174.700 0.167 0.000 1.003 153 T CA -0.620 61.597 62.100 0.195 0.000 0.977 153 T CB 1.845 70.829 68.868 0.194 0.000 0.996 153 T HN 0.182 nan 8.240 nan 0.000 0.448 154 M N 2.944 122.674 119.600 0.217 0.000 2.204 154 M HA 0.544 5.024 4.480 -0.000 0.000 0.293 154 M C -1.249 175.183 176.300 0.220 0.000 0.994 154 M CA -0.838 54.571 55.300 0.181 0.000 0.925 154 M CB 2.309 35.047 32.600 0.229 0.000 1.577 154 M HN 0.241 nan 8.290 nan 0.000 0.439 155 V N 2.335 122.289 119.914 0.067 0.000 2.495 155 V HA 1.021 5.141 4.120 -0.000 0.000 0.298 155 V C 0.246 176.331 176.094 -0.014 0.000 1.031 155 V CA -0.168 62.154 62.300 0.036 0.000 0.871 155 V CB 1.681 33.396 31.823 -0.180 0.000 0.988 155 V HN 1.082 nan 8.190 nan 0.000 0.432 156 G N 2.794 111.641 108.800 0.079 0.000 2.360 156 G HA2 0.648 4.608 3.960 -0.000 0.000 0.276 156 G HA3 0.648 4.608 3.960 -0.000 0.000 0.276 156 G C -0.559 174.442 174.900 0.167 0.000 1.256 156 G CA 0.229 45.321 45.100 -0.013 0.000 0.890 156 G HN 1.214 nan 8.290 nan 0.000 0.486 157 G N -2.172 106.697 108.800 0.115 0.000 2.660 157 G HA2 0.982 4.941 3.960 -0.000 0.000 0.290 157 G HA3 0.982 4.941 3.960 -0.000 0.000 0.290 157 G C -0.220 174.848 174.900 0.281 0.000 1.432 157 G CA 0.667 45.946 45.100 0.298 0.000 0.807 157 G HN 2.395 nan 8.290 nan 0.000 0.485 158 G N -2.016 106.947 108.800 0.273 0.000 2.368 158 G HA2 0.527 4.487 3.960 -0.000 0.000 0.302 158 G HA3 0.527 4.487 3.960 -0.000 0.000 0.302 158 G C 0.135 175.104 174.900 0.116 0.000 1.329 158 G CA 0.878 46.091 45.100 0.189 0.000 0.935 158 G HN 1.846 nan 8.290 nan 0.000 0.590 159 T N -2.955 111.604 114.554 0.008 0.000 3.144 159 T HA 0.649 4.999 4.350 -0.000 0.000 0.290 159 T C 1.216 175.919 174.700 0.004 0.000 0.966 159 T CA 1.218 63.277 62.100 -0.069 0.000 0.907 159 T CB 0.487 69.076 68.868 -0.464 0.000 1.152 159 T HN 2.718 nan 8.240 nan 0.000 0.532 160 G N 2.400 111.228 108.800 0.048 0.000 2.316 160 G HA2 0.177 4.137 3.960 -0.000 0.000 0.349 160 G HA3 0.177 4.137 3.960 -0.000 0.000 0.349 160 G C -2.968 171.928 174.900 -0.007 0.000 1.274 160 G CA -0.461 44.674 45.100 0.058 0.000 1.018 160 G HN 0.035 nan 8.290 nan 0.000 0.486 161 P HA 0.466 nan 4.420 nan 0.000 0.231 161 P C 0.075 177.196 177.300 -0.298 0.000 1.756 161 P CA 1.050 64.112 63.100 -0.063 0.000 0.990 161 P CB 0.012 31.788 31.700 0.127 0.000 1.973 162 A N 1.138 123.693 122.820 -0.442 0.000 2.330 162 A HA 0.658 4.978 4.320 -0.000 0.000 0.329 162 A C 1.567 178.841 177.584 -0.517 0.000 1.135 162 A CA -0.192 51.645 52.037 -0.333 0.000 0.817 162 A CB 1.136 20.040 19.000 -0.161 0.000 1.269 162 A HN 0.206 nan 8.150 nan 0.000 0.469 163 A N 1.237 123.924 122.820 -0.223 0.000 1.892 163 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 163 A C 2.201 179.719 177.584 -0.110 0.000 1.188 163 A CA 2.730 54.715 52.037 -0.087 0.000 0.631 163 A CB -1.387 17.599 19.000 -0.023 0.000 0.822 163 A HN 1.610 nan 8.150 nan 0.000 0.447 164 G N -1.275 107.482 108.800 -0.070 0.000 2.476 164 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 164 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 164 G C 1.582 176.509 174.900 0.045 0.000 1.164 164 G CA 1.731 46.845 45.100 0.023 0.000 0.768 164 G HN 0.453 nan 8.290 nan 0.000 0.560 165 T N 0.082 114.642 114.554 0.011 0.000 2.867 165 T HA -0.047 4.303 4.350 -0.000 0.000 0.268 165 T C 2.119 176.922 174.700 0.172 0.000 1.057 165 T CA 1.199 63.345 62.100 0.078 0.000 1.136 165 T CB -0.294 68.585 68.868 0.018 0.000 0.874 165 T HN 0.305 nan 8.240 nan 0.000 0.466 166 H N 1.300 120.398 119.070 0.047 0.000 2.352 166 H HA 0.103 4.659 4.556 -0.000 0.000 0.299 166 H C 2.482 177.762 175.328 -0.080 0.000 1.097 166 H CA 1.397 57.425 56.048 -0.034 0.000 1.311 166 H CB -0.614 29.114 29.762 -0.057 0.000 1.377 166 H HN 0.427 nan 8.280 nan 0.000 0.504 167 A N 0.196 123.056 122.820 0.066 0.000 1.984 167 A HA 0.069 4.388 4.320 -0.000 0.000 0.214 167 A C 1.329 178.844 177.584 -0.116 0.000 1.173 167 A CA 1.136 53.143 52.037 -0.050 0.000 0.673 167 A CB -0.054 18.836 19.000 -0.182 0.000 0.830 167 A HN 0.492 nan 8.150 nan 0.000 0.453 168 T N -3.536 110.978 114.554 -0.067 0.000 2.901 168 T HA 0.468 4.818 4.350 -0.000 0.000 0.293 168 T C -0.200 174.433 174.700 -0.112 0.000 1.084 168 T CA 0.188 62.158 62.100 -0.216 0.000 1.008 168 T CB 1.362 70.072 68.868 -0.263 0.000 1.170 168 T HN 0.267 nan 8.240 nan 0.000 0.509 169 T N -0.264 114.146 114.554 -0.241 0.000 3.540 169 T HA 0.497 4.847 4.350 -0.000 0.000 0.269 169 T C -0.077 174.621 174.700 -0.003 0.000 1.481 169 T CA -0.670 61.256 62.100 -0.290 0.000 1.224 169 T CB -1.774 66.905 68.868 -0.316 0.000 1.192 169 T HN 0.710 nan 8.240 nan 0.000 0.756 170 C N 1.701 121.044 119.300 0.071 0.000 2.482 170 C HA 0.623 5.083 4.460 -0.000 0.000 0.317 170 C C 0.503 175.531 174.990 0.063 0.000 1.197 170 C CA -0.818 58.249 59.018 0.082 0.000 1.432 170 C CB 1.344 29.139 27.740 0.092 0.000 2.062 170 C HN 0.663 nan 8.230 nan 0.000 0.471 171 T N 4.443 119.029 114.554 0.052 0.000 2.929 171 T HA 0.285 4.635 4.350 -0.000 0.000 0.331 171 T C -2.680 172.039 174.700 0.032 0.000 1.120 171 T CA -0.784 61.348 62.100 0.052 0.000 0.973 171 T CB 0.274 69.197 68.868 0.092 0.000 1.036 171 T HN 0.413 nan 8.240 nan 0.000 0.502 172 P HA 0.334 nan 4.420 nan 0.000 0.269 172 P C 0.750 178.120 177.300 0.117 0.000 1.252 172 P CA 0.793 63.879 63.100 -0.022 0.000 0.780 172 P CB 0.086 31.733 31.700 -0.087 0.000 0.829 173 G N 5.484 114.319 108.800 0.059 0.000 2.819 173 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.682 173 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.682 173 G C -1.973 173.005 174.900 0.130 0.000 1.481 173 G CA -0.841 44.314 45.100 0.091 0.000 0.904 173 G HN 0.247 nan 8.290 nan 0.000 0.563 174 P HA -0.160 nan 4.420 nan 0.000 0.216 174 P C 1.668 179.031 177.300 0.105 0.000 1.157 174 P CA 2.327 65.478 63.100 0.085 0.000 0.880 174 P CB -0.015 31.730 31.700 0.075 0.000 0.791 175 W N -1.256 120.016 121.300 -0.045 0.000 2.354 175 W HA -0.210 4.450 4.660 -0.000 0.000 0.315 175 W C 2.244 178.689 176.519 -0.123 0.000 1.206 175 W CA 1.486 58.760 57.345 -0.119 0.000 1.290 175 W CB -1.126 28.209 29.460 -0.209 0.000 1.152 175 W HN -0.095 nan 8.180 nan 0.000 0.489 176 Y N 0.220 120.668 120.300 0.246 0.000 2.224 176 Y HA -0.203 4.347 4.550 -0.000 0.000 0.289 176 Y C 2.354 178.219 175.900 -0.057 0.000 1.146 176 Y CA 1.853 60.003 58.100 0.083 0.000 1.182 176 Y CB -0.988 37.575 38.460 0.171 0.000 0.983 176 Y HN -0.057 nan 8.280 nan 0.000 0.524 177 I N -1.162 119.483 120.570 0.125 0.000 2.163 177 I HA -0.365 3.805 4.170 -0.000 0.000 0.243 177 I C 2.332 178.418 176.117 -0.052 0.000 1.085 177 I CA 1.636 62.960 61.300 0.039 0.000 1.347 177 I CB -0.555 37.470 38.000 0.041 0.000 1.044 177 I HN 0.055 nan 8.210 nan 0.000 0.408 178 S N 0.293 115.925 115.700 -0.113 0.000 2.370 178 S HA -0.214 4.256 4.470 -0.000 0.000 0.226 178 S C 2.073 176.520 174.600 -0.255 0.000 1.033 178 S CA 1.315 59.406 58.200 -0.183 0.000 1.011 178 S CB -0.305 62.758 63.200 -0.227 0.000 0.852 178 S HN 0.274 nan 8.310 nan 0.000 0.457 179 R N 0.917 121.193 120.500 -0.374 0.000 2.081 179 R HA 0.130 4.470 4.340 -0.000 0.000 0.235 179 R C 2.285 178.460 176.300 -0.209 0.000 1.131 179 R CA 1.264 57.132 56.100 -0.387 0.000 0.960 179 R CB -0.395 29.568 30.300 -0.562 0.000 0.856 179 R HN 0.302 nan 8.270 nan 0.000 0.436 180 M N -0.234 119.283 119.600 -0.139 0.000 2.200 180 M HA -0.046 4.434 4.480 -0.000 0.000 0.265 180 M C 2.088 178.285 176.300 -0.171 0.000 1.066 180 M CA 1.319 56.530 55.300 -0.147 0.000 1.127 180 M CB -0.684 31.848 32.600 -0.113 0.000 1.379 180 M HN 0.157 nan 8.290 nan 0.000 0.420 181 L N -0.364 120.778 121.223 -0.134 0.000 2.083 181 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 181 L C 2.520 179.311 176.870 -0.131 0.000 1.083 181 L CA 1.237 56.006 54.840 -0.118 0.000 0.752 181 L CB -0.496 41.510 42.059 -0.089 0.000 0.899 181 L HN 0.408 nan 8.230 nan 0.000 0.433 182 Q N -0.522 119.191 119.800 -0.144 0.000 2.083 182 Q HA -0.125 4.215 4.340 -0.000 0.000 0.198 182 Q C 2.436 178.362 176.000 -0.123 0.000 0.969 182 Q CA 1.382 57.103 55.803 -0.136 0.000 0.838 182 Q CB -0.201 28.449 28.738 -0.148 0.000 0.900 182 Q HN 0.531 nan 8.270 nan 0.000 0.436 183 A N 1.227 123.964 122.820 -0.139 0.000 1.972 183 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 183 A C 2.298 179.795 177.584 -0.145 0.000 1.169 183 A CA 1.408 53.367 52.037 -0.130 0.000 0.635 183 A CB -0.686 18.227 19.000 -0.146 0.000 0.810 183 A HN 0.385 nan 8.150 nan 0.000 0.446 184 A N 0.040 122.751 122.820 -0.183 0.000 1.978 184 A HA -0.218 4.101 4.320 -0.000 0.000 0.220 184 A C 1.692 179.224 177.584 -0.086 0.000 1.170 184 A CA 1.859 53.785 52.037 -0.185 0.000 0.636 184 A CB -0.572 18.318 19.000 -0.183 0.000 0.810 184 A HN 0.448 nan 8.150 nan 0.000 0.448 185 D N -0.121 120.247 120.400 -0.053 0.000 2.265 185 D HA -0.063 4.577 4.640 -0.000 0.000 0.208 185 D C 1.794 178.174 176.300 0.134 0.000 0.977 185 D CA 1.360 55.385 54.000 0.042 0.000 0.871 185 D CB -0.100 40.681 40.800 -0.030 0.000 0.925 185 D HN 0.416 nan 8.370 nan 0.000 0.485 186 S N -0.427 115.298 115.700 0.043 0.000 2.558 186 S HA 0.101 4.571 4.470 -0.000 0.000 0.217 186 S C 0.969 175.570 174.600 0.001 0.000 0.975 186 S CA -0.048 58.169 58.200 0.027 0.000 0.912 186 S CB 0.512 63.712 63.200 0.001 0.000 0.776 186 S HN 0.189 nan 8.310 nan 0.000 0.526 187 L N 2.994 124.212 121.223 -0.009 0.000 2.307 187 L HA 0.332 4.672 4.340 -0.000 0.000 0.282 187 L C -1.854 175.032 176.870 0.028 0.000 1.051 187 L CA -2.127 52.715 54.840 0.003 0.000 0.804 187 L CB 0.959 43.001 42.059 -0.030 0.000 1.197 187 L HN -0.140 nan 8.230 nan 0.000 0.431 188 P HA 0.007 nan 4.420 nan 0.000 0.258 188 P C -0.337 177.001 177.300 0.064 0.000 1.403 188 P CA 0.325 63.449 63.100 0.041 0.000 0.826 188 P CB -0.062 31.657 31.700 0.032 0.000 1.414 189 V N -3.733 116.233 119.914 0.087 0.000 3.102 189 V HA 0.549 4.668 4.120 -0.000 0.000 0.312 189 V C -0.309 175.858 176.094 0.122 0.000 1.135 189 V CA -1.431 60.940 62.300 0.118 0.000 1.022 189 V CB 1.759 33.683 31.823 0.169 0.000 1.056 189 V HN -0.194 nan 8.190 nan 0.000 0.436 190 N N 1.836 120.628 118.700 0.152 0.000 2.513 190 N HA 0.566 5.306 4.740 -0.000 0.000 0.268 190 N C -0.715 174.965 175.510 0.284 0.000 1.180 190 N CA 0.133 53.285 53.050 0.171 0.000 0.948 190 N CB 1.283 39.945 38.487 0.292 0.000 1.083 190 N HN 0.715 nan 8.380 nan 0.000 0.455 191 I N -0.152 120.571 120.570 0.255 0.000 2.730 191 I HA 0.536 4.706 4.170 -0.000 0.000 0.298 191 I C 0.328 176.691 176.117 0.409 0.000 1.089 191 I CA -0.962 60.528 61.300 0.316 0.000 1.041 191 I CB 2.498 40.588 38.000 0.151 0.000 1.235 191 I HN 0.422 nan 8.210 nan 0.000 0.423 192 G N 5.494 114.514 108.800 0.366 0.000 2.741 192 G HA2 0.653 4.613 3.960 -0.000 0.000 0.293 192 G HA3 0.653 4.613 3.960 -0.000 0.000 0.293 192 G C -1.315 173.724 174.900 0.231 0.000 1.457 192 G CA -0.436 44.845 45.100 0.301 0.000 1.098 192 G HN 0.368 nan 8.290 nan 0.000 0.536 193 L N 1.463 122.796 121.223 0.183 0.000 2.360 193 L HA 0.623 4.963 4.340 -0.000 0.000 0.271 193 L C -0.112 176.840 176.870 0.138 0.000 1.057 193 L CA -0.905 54.040 54.840 0.176 0.000 0.803 193 L CB 1.709 43.840 42.059 0.119 0.000 1.207 193 L HN 0.219 nan 8.230 nan 0.000 0.445 194 L N 0.842 122.146 121.223 0.135 0.000 2.346 194 L HA 0.666 5.006 4.340 -0.000 0.000 0.274 194 L C 0.335 177.250 176.870 0.075 0.000 1.007 194 L CA -0.492 54.407 54.840 0.098 0.000 0.818 194 L CB 1.894 44.011 42.059 0.097 0.000 1.284 194 L HN 0.660 nan 8.230 nan 0.000 0.424 195 G N 0.782 109.608 108.800 0.044 0.000 2.552 195 G HA2 0.326 4.286 3.960 -0.000 0.000 0.318 195 G HA3 0.326 4.286 3.960 -0.000 0.000 0.318 195 G C -1.072 173.812 174.900 -0.027 0.000 1.240 195 G CA -0.598 44.508 45.100 0.011 0.000 1.002 195 G HN 0.529 nan 8.290 nan 0.000 0.493 196 K N 0.074 120.414 120.400 -0.101 0.000 2.338 196 K HA 0.273 4.593 4.320 -0.000 0.000 0.290 196 K C 0.992 177.509 176.600 -0.138 0.000 1.069 196 K CA 0.008 56.174 56.287 -0.201 0.000 0.941 196 K CB 0.385 32.603 32.500 -0.470 0.000 1.023 196 K HN 0.446 nan 8.250 nan 0.000 0.477 197 G N 3.609 112.366 108.800 -0.073 0.000 3.189 197 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.225 197 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.225 197 G C -0.153 174.726 174.900 -0.035 0.000 1.159 197 G CA -0.389 44.684 45.100 -0.045 0.000 0.763 197 G HN 0.644 nan 8.290 nan 0.000 0.549 198 N N 0.857 119.528 118.700 -0.048 0.000 2.739 198 N HA 0.417 5.157 4.740 -0.000 0.000 0.266 198 N C -0.950 174.545 175.510 -0.025 0.000 1.168 198 N CA 0.120 53.170 53.050 0.000 0.000 1.055 198 N CB 1.272 39.812 38.487 0.088 0.000 1.393 198 N HN 0.019 nan 8.380 nan 0.000 0.514 199 V N -0.784 119.119 119.914 -0.020 0.000 3.048 199 V HA 0.315 4.435 4.120 -0.000 0.000 0.303 199 V C 0.209 176.297 176.094 -0.010 0.000 1.214 199 V CA -0.935 61.352 62.300 -0.020 0.000 0.984 199 V CB 2.111 33.912 31.823 -0.037 0.000 1.054 199 V HN 0.249 nan 8.190 nan 0.000 0.430 200 S N 1.016 116.713 115.700 -0.006 0.000 2.575 200 S HA 0.179 4.649 4.470 -0.000 0.000 0.237 200 S C 0.153 174.749 174.600 -0.007 0.000 0.975 200 S CA -0.024 58.174 58.200 -0.004 0.000 0.960 200 S CB -0.077 63.123 63.200 0.001 0.000 0.822 200 S HN 0.801 nan 8.310 nan 0.000 0.472 201 Q N 1.490 121.284 119.800 -0.010 0.000 2.347 201 Q HA 0.420 4.760 4.340 -0.000 0.000 0.265 201 Q C -2.506 173.487 176.000 -0.013 0.000 1.024 201 Q CA -2.070 53.726 55.803 -0.011 0.000 0.731 201 Q CB 1.501 30.233 28.738 -0.011 0.000 1.245 201 Q HN -0.104 nan 8.270 nan 0.000 0.472 202 P HA -0.187 nan 4.420 nan 0.000 0.216 202 P C 0.239 177.532 177.300 -0.011 0.000 1.154 202 P CA 1.357 64.450 63.100 -0.012 0.000 0.865 202 P CB 0.364 32.059 31.700 -0.009 0.000 0.789 203 D N -0.852 119.542 120.400 -0.010 0.000 2.182 203 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 203 D C 1.904 178.198 176.300 -0.010 0.000 0.986 203 D CA 1.524 55.518 54.000 -0.009 0.000 0.847 203 D CB -0.552 40.243 40.800 -0.007 0.000 0.942 203 D HN 0.117 nan 8.370 nan 0.000 0.467 204 A N 0.150 122.961 122.820 -0.015 0.000 2.067 204 A HA -0.053 4.266 4.320 -0.000 0.000 0.219 204 A C 2.306 179.877 177.584 -0.022 0.000 1.158 204 A CA 0.651 52.676 52.037 -0.020 0.000 0.661 204 A CB -0.337 18.646 19.000 -0.027 0.000 0.801 204 A HN 0.200 nan 8.150 nan 0.000 0.452 205 L N -1.699 119.512 121.223 -0.020 0.000 2.168 205 L HA 0.003 4.343 4.340 -0.000 0.000 0.203 205 L C 2.678 179.542 176.870 -0.011 0.000 1.078 205 L CA 0.555 55.383 54.840 -0.020 0.000 0.780 205 L CB -0.437 41.609 42.059 -0.021 0.000 0.939 205 L HN 0.267 nan 8.230 nan 0.000 0.451 206 R N 0.439 120.934 120.500 -0.008 0.000 2.105 206 R HA -0.187 4.152 4.340 -0.000 0.000 0.239 206 R C 2.072 178.372 176.300 0.000 0.000 1.135 206 R CA 1.401 57.499 56.100 -0.003 0.000 0.967 206 R CB -0.289 30.009 30.300 -0.004 0.000 0.861 206 R HN 0.458 nan 8.270 nan 0.000 0.442 207 E N 0.687 120.886 120.200 -0.001 0.000 2.077 207 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 207 E C 2.139 178.744 176.600 0.008 0.000 0.989 207 E CA 1.188 57.590 56.400 0.004 0.000 0.800 207 E CB 0.002 29.705 29.700 0.004 0.000 0.746 207 E HN 0.442 nan 8.360 nan 0.000 0.452 208 Q N 0.228 120.031 119.800 0.006 0.000 2.079 208 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 208 Q C 2.397 178.406 176.000 0.016 0.000 0.974 208 Q CA 1.253 57.063 55.803 0.011 0.000 0.840 208 Q CB 0.028 28.767 28.738 0.002 0.000 0.898 208 Q HN 0.151 nan 8.270 nan 0.000 0.430 209 V N 0.979 120.900 119.914 0.012 0.000 2.343 209 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 209 V C 2.219 178.324 176.094 0.018 0.000 1.051 209 V CA 1.797 64.107 62.300 0.018 0.000 1.036 209 V CB -0.890 30.941 31.823 0.013 0.000 0.654 209 V HN 0.375 nan 8.190 nan 0.000 0.451 210 A N -0.180 122.648 122.820 0.013 0.000 2.066 210 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 210 A C 2.325 179.916 177.584 0.010 0.000 1.157 210 A CA 1.573 53.617 52.037 0.011 0.000 0.670 210 A CB -0.492 18.513 19.000 0.007 0.000 0.804 210 A HN 0.548 nan 8.150 nan 0.000 0.453 211 A N -1.915 120.913 122.820 0.012 0.000 2.014 211 A HA 0.378 4.698 4.320 -0.000 0.000 0.218 211 A C 1.801 179.389 177.584 0.008 0.000 1.163 211 A CA 1.809 53.851 52.037 0.009 0.000 0.652 211 A CB -0.392 18.617 19.000 0.016 0.000 0.808 211 A HN 1.546 nan 8.150 nan 0.000 0.449 212 G N -1.917 106.895 108.800 0.019 0.000 3.246 212 G HA2 0.054 4.014 3.960 -0.000 0.000 0.218 212 G HA3 0.054 4.014 3.960 -0.000 0.000 0.218 212 G C 0.347 175.276 174.900 0.048 0.000 0.978 212 G CA 0.099 45.215 45.100 0.027 0.000 0.825 212 G HN 1.363 nan 8.290 nan 0.000 0.546 213 V N 1.252 121.195 119.914 0.049 0.000 2.872 213 V HA 0.541 4.661 4.120 -0.000 0.000 0.307 213 V C 1.678 177.819 176.094 0.078 0.000 1.072 213 V CA 0.350 62.690 62.300 0.067 0.000 1.148 213 V CB 1.062 32.919 31.823 0.058 0.000 0.954 213 V HN 0.843 nan 8.190 nan 0.000 0.490 214 I N 0.227 120.859 120.570 0.102 0.000 3.928 214 I HA 0.757 4.926 4.170 -0.000 0.000 0.335 214 I C 0.659 176.843 176.117 0.110 0.000 1.325 214 I CA 0.376 61.743 61.300 0.110 0.000 1.107 214 I CB -0.155 37.927 38.000 0.137 0.000 1.014 214 I HN 0.909 nan 8.210 nan 0.000 0.400 215 G N 1.158 110.016 108.800 0.096 0.000 2.506 215 G HA2 0.604 4.563 3.960 -0.000 0.000 0.292 215 G HA3 0.604 4.563 3.960 -0.000 0.000 0.292 215 G C -1.970 172.960 174.900 0.050 0.000 1.425 215 G CA -0.761 44.389 45.100 0.084 0.000 0.788 215 G HN 0.076 nan 8.290 nan 0.000 0.490 216 L N 0.650 121.883 121.223 0.017 0.000 2.376 216 L HA 0.705 5.045 4.340 -0.000 0.000 0.275 216 L C 0.336 177.194 176.870 -0.021 0.000 0.987 216 L CA -0.955 53.883 54.840 -0.002 0.000 0.828 216 L CB 2.135 44.183 42.059 -0.017 0.000 1.249 216 L HN 0.779 nan 8.230 nan 0.000 0.409 217 A N 4.367 127.191 122.820 0.007 0.000 2.260 217 A HA 0.717 5.037 4.320 -0.000 0.000 0.308 217 A C -0.597 177.029 177.584 0.070 0.000 1.254 217 A CA -0.364 51.684 52.037 0.018 0.000 0.874 217 A CB 0.216 19.282 19.000 0.110 0.000 1.153 217 A HN 0.525 nan 8.150 nan 0.000 0.527 218 I N 3.483 124.077 120.570 0.041 0.000 2.315 218 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 218 I C 0.374 176.605 176.117 0.192 0.000 1.006 218 I CA 0.381 61.739 61.300 0.097 0.000 1.265 218 I CB 0.677 38.695 38.000 0.030 0.000 1.387 218 I HN 0.652 nan 8.210 nan 0.000 0.475 219 H N 5.852 125.018 119.070 0.161 0.000 2.600 219 H HA 0.215 4.771 4.556 -0.000 0.000 0.357 219 H C 0.638 175.964 175.328 -0.003 0.000 1.106 219 H CA -0.387 55.708 56.048 0.078 0.000 1.193 219 H CB 1.941 31.787 29.762 0.141 0.000 1.594 219 H HN 0.829 nan 8.280 nan 0.000 0.526 220 E N 2.265 122.287 120.200 -0.297 0.000 2.209 220 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 220 E C 0.005 176.595 176.600 -0.018 0.000 0.993 220 E CA 1.506 57.834 56.400 -0.120 0.000 0.819 220 E CB 0.183 29.793 29.700 -0.150 0.000 0.745 220 E HN 0.467 nan 8.360 nan 0.000 0.477 221 D N 0.055 120.489 120.400 0.056 0.000 2.264 221 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 221 D C 0.526 176.708 176.300 -0.196 0.000 0.966 221 D CA 0.870 54.795 54.000 -0.124 0.000 0.864 221 D CB -0.205 40.420 40.800 -0.292 0.000 0.933 221 D HN 0.487 nan 8.370 nan 0.000 0.499 222 W N 0.334 121.672 121.300 0.063 0.000 3.127 222 W HA 0.396 5.056 4.660 -0.000 0.000 0.344 222 W C 0.566 177.097 176.519 0.020 0.000 1.151 222 W CA -0.124 57.239 57.345 0.031 0.000 1.765 222 W CB 0.890 30.369 29.460 0.032 0.000 1.085 222 W HN -0.079 nan 8.180 nan 0.000 0.596 223 G N 1.371 110.286 108.800 0.191 0.000 2.780 223 G HA2 0.077 4.037 3.960 -0.000 0.000 0.364 223 G HA3 0.077 4.037 3.960 -0.000 0.000 0.364 223 G C -0.287 174.669 174.900 0.093 0.000 1.045 223 G CA -0.595 44.572 45.100 0.111 0.000 1.202 223 G HN 0.400 nan 8.290 nan 0.000 0.534 224 A N 2.259 125.113 122.820 0.057 0.000 3.091 224 A HA 0.691 5.011 4.320 -0.000 0.000 0.264 224 A C 1.195 178.801 177.584 0.036 0.000 1.673 224 A CA 0.794 52.860 52.037 0.048 0.000 1.362 224 A CB -0.451 18.568 19.000 0.031 0.000 1.137 224 A HN 1.982 nan 8.150 nan 0.000 0.617 225 T N -2.020 112.556 114.554 0.036 0.000 2.918 225 T HA 0.464 4.814 4.350 -0.000 0.000 0.283 225 T C -1.915 172.801 174.700 0.027 0.000 1.001 225 T CA -1.781 60.336 62.100 0.028 0.000 1.041 225 T CB 1.240 70.120 68.868 0.020 0.000 1.028 225 T HN 0.086 nan 8.240 nan 0.000 0.511 226 P HA -0.064 nan 4.420 nan 0.000 0.216 226 P C 1.608 178.913 177.300 0.009 0.000 1.150 226 P CA 1.390 64.500 63.100 0.016 0.000 0.837 226 P CB -0.219 31.487 31.700 0.011 0.000 0.786 227 A N -0.106 122.719 122.820 0.008 0.000 1.873 227 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 227 A C 2.311 179.898 177.584 0.005 0.000 1.186 227 A CA 2.060 54.100 52.037 0.005 0.000 0.616 227 A CB -1.576 17.428 19.000 0.005 0.000 0.823 227 A HN 0.193 nan 8.150 nan 0.000 0.442 228 A N 0.039 122.866 122.820 0.012 0.000 1.858 228 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 228 A C 2.140 179.727 177.584 0.006 0.000 1.190 228 A CA 1.526 53.570 52.037 0.012 0.000 0.617 228 A CB -0.675 18.341 19.000 0.027 0.000 0.827 228 A HN 0.484 nan 8.150 nan 0.000 0.443 229 I N -0.159 120.416 120.570 0.008 0.000 2.127 229 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 229 I C 2.373 178.483 176.117 -0.011 0.000 1.075 229 I CA 2.100 63.399 61.300 -0.002 0.000 1.334 229 I CB -0.483 37.519 38.000 0.003 0.000 1.040 229 I HN 0.447 nan 8.210 nan 0.000 0.405 230 D N 0.096 120.491 120.400 -0.008 0.000 2.149 230 D HA -0.238 4.402 4.640 -0.000 0.000 0.198 230 D C 2.283 178.576 176.300 -0.012 0.000 0.990 230 D CA 1.285 55.278 54.000 -0.011 0.000 0.839 230 D CB -0.158 40.638 40.800 -0.008 0.000 0.948 230 D HN 0.408 nan 8.370 nan 0.000 0.460 231 C N -0.124 119.170 119.300 -0.010 0.000 2.432 231 C HA 0.095 4.555 4.460 -0.000 0.000 0.277 231 C C 2.885 177.866 174.990 -0.015 0.000 1.249 231 C CA 1.426 60.437 59.018 -0.011 0.000 1.725 231 C CB -1.460 26.274 27.740 -0.009 0.000 2.028 231 C HN 0.450 nan 8.230 nan 0.000 0.477 232 A N 0.165 122.974 122.820 -0.017 0.000 1.902 232 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 232 A C 2.180 179.748 177.584 -0.027 0.000 1.181 232 A CA 1.752 53.775 52.037 -0.023 0.000 0.623 232 A CB -0.730 18.255 19.000 -0.026 0.000 0.818 232 A HN 0.668 nan 8.150 nan 0.000 0.443 233 L N -0.743 120.463 121.223 -0.029 0.000 2.131 233 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 233 L C 2.759 179.613 176.870 -0.026 0.000 1.092 233 L CA 1.639 56.460 54.840 -0.033 0.000 0.759 233 L CB -0.787 41.252 42.059 -0.034 0.000 0.903 233 L HN 0.359 nan 8.230 nan 0.000 0.435 234 T N -0.596 113.946 114.554 -0.021 0.000 2.708 234 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 234 T C 1.975 176.665 174.700 -0.017 0.000 1.037 234 T CA 1.411 63.501 62.100 -0.017 0.000 1.146 234 T CB -0.167 68.693 68.868 -0.014 0.000 0.865 234 T HN 0.071 nan 8.240 nan 0.000 0.435 235 V N 1.721 121.625 119.914 -0.017 0.000 2.427 235 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 235 V C 2.872 178.957 176.094 -0.016 0.000 1.051 235 V CA 1.483 63.775 62.300 -0.014 0.000 1.048 235 V CB -1.240 30.575 31.823 -0.014 0.000 0.666 235 V HN 0.510 nan 8.190 nan 0.000 0.456 236 A N -0.003 122.805 122.820 -0.021 0.000 1.908 236 A HA -0.270 4.049 4.320 -0.000 0.000 0.218 236 A C 2.018 179.587 177.584 -0.025 0.000 1.181 236 A CA 2.087 54.109 52.037 -0.025 0.000 0.627 236 A CB -0.648 18.330 19.000 -0.037 0.000 0.818 236 A HN 0.508 nan 8.150 nan 0.000 0.445 237 D N -0.287 120.098 120.400 -0.025 0.000 2.178 237 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 237 D C 1.968 178.257 176.300 -0.018 0.000 0.980 237 D CA 1.600 55.587 54.000 -0.023 0.000 0.842 237 D CB -0.234 40.553 40.800 -0.021 0.000 0.948 237 D HN 0.895 nan 8.370 nan 0.000 0.472 238 E N -0.712 119.479 120.200 -0.015 0.000 2.400 238 E HA 0.040 4.390 4.350 -0.000 0.000 0.195 238 E C 1.509 178.103 176.600 -0.009 0.000 1.012 238 E CA 0.214 56.607 56.400 -0.012 0.000 0.875 238 E CB 0.036 29.730 29.700 -0.010 0.000 0.859 238 E HN 0.185 nan 8.360 nan 0.000 0.498 239 M N 0.888 120.483 119.600 -0.009 0.000 2.313 239 M HA 0.138 4.618 4.480 -0.000 0.000 0.273 239 M C -0.361 175.937 176.300 -0.002 0.000 1.049 239 M CA -0.125 55.173 55.300 -0.004 0.000 1.004 239 M CB 0.591 33.191 32.600 0.000 0.000 1.461 239 M HN -0.110 nan 8.290 nan 0.000 0.514 240 D N 2.899 123.294 120.400 -0.010 0.000 2.737 240 D HA -0.157 4.483 4.640 -0.000 0.000 0.238 240 D C -1.086 175.211 176.300 -0.006 0.000 1.157 240 D CA 0.650 54.642 54.000 -0.012 0.000 0.694 240 D CB -0.749 40.045 40.800 -0.011 0.000 1.021 240 D HN 0.499 nan 8.370 nan 0.000 0.420 241 I N -2.433 118.130 120.570 -0.011 0.000 3.002 241 I HA 0.718 4.888 4.170 -0.000 0.000 0.310 241 I C -0.072 176.024 176.117 -0.036 0.000 1.087 241 I CA -1.169 60.130 61.300 -0.003 0.000 1.017 241 I CB 1.538 39.547 38.000 0.015 0.000 1.226 241 I HN -0.118 nan 8.210 nan 0.000 0.443 242 Q N 1.637 121.409 119.800 -0.048 0.000 2.214 242 Q HA 0.737 5.077 4.340 -0.000 0.000 0.251 242 Q C -1.451 174.489 176.000 -0.099 0.000 0.936 242 Q CA -0.602 55.122 55.803 -0.132 0.000 0.894 242 Q CB 1.888 30.420 28.738 -0.342 0.000 1.252 242 Q HN 0.656 nan 8.270 nan 0.000 0.448 243 V N 2.074 121.906 119.914 -0.137 0.000 2.495 243 V HA 0.851 4.971 4.120 -0.000 0.000 0.298 243 V C -0.771 175.177 176.094 -0.243 0.000 1.031 243 V CA -0.669 61.547 62.300 -0.140 0.000 0.871 243 V CB 1.474 33.230 31.823 -0.112 0.000 0.988 243 V HN 0.853 nan 8.190 nan 0.000 0.432 244 A N 5.069 127.674 122.820 -0.357 0.000 2.318 244 A HA 0.871 5.191 4.320 -0.000 0.000 0.324 244 A C -1.156 176.032 177.584 -0.660 0.000 1.170 244 A CA -0.468 51.074 52.037 -0.825 0.000 0.810 244 A CB 1.211 19.415 19.000 -1.326 0.000 1.198 244 A HN 0.782 nan 8.150 nan 0.000 0.484 245 L N 1.977 122.832 121.223 -0.614 0.000 2.346 245 L HA 0.593 4.933 4.340 -0.000 0.000 0.274 245 L C -0.440 176.368 176.870 -0.104 0.000 1.007 245 L CA -0.192 54.493 54.840 -0.258 0.000 0.818 245 L CB 1.601 43.572 42.059 -0.148 0.000 1.284 245 L HN 0.787 nan 8.230 nan 0.000 0.424 246 H N 3.097 122.133 119.070 -0.057 0.000 2.854 246 H HA 0.507 5.063 4.556 -0.000 0.000 0.275 246 H C -0.370 174.939 175.328 -0.031 0.000 1.198 246 H CA -0.392 55.675 56.048 0.032 0.000 1.489 246 H CB 0.792 30.526 29.762 -0.047 0.000 1.519 246 H HN 0.849 nan 8.280 nan 0.000 0.503 247 S N 2.466 118.289 115.700 0.205 0.000 2.612 247 S HA -0.081 4.389 4.470 -0.000 0.000 0.253 247 S C 0.487 175.075 174.600 -0.020 0.000 1.346 247 S CA -0.736 57.522 58.200 0.098 0.000 0.976 247 S CB 0.789 64.087 63.200 0.164 0.000 0.949 247 S HN 0.733 nan 8.310 nan 0.000 0.584 248 D N 0.506 120.728 120.400 -0.296 0.000 2.398 248 D HA 0.164 4.804 4.640 -0.000 0.000 0.250 248 D C 0.970 176.968 176.300 -0.503 0.000 1.287 248 D CA 0.103 53.881 54.000 -0.371 0.000 0.992 248 D CB -0.126 40.480 40.800 -0.324 0.000 1.071 248 D HN 0.550 nan 8.370 nan 0.000 0.514 249 T N 3.537 118.004 114.554 -0.146 0.000 2.788 249 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 249 T C 1.969 176.695 174.700 0.044 0.000 1.044 249 T CA 0.760 62.856 62.100 -0.006 0.000 1.139 249 T CB 0.024 68.992 68.868 0.166 0.000 0.867 249 T HN 0.434 nan 8.240 nan 0.000 0.454 250 L N 0.912 122.137 121.223 0.004 0.000 2.456 250 L HA 0.034 4.374 4.340 -0.000 0.000 0.224 250 L C 0.730 177.605 176.870 0.008 0.000 1.148 250 L CA 0.252 55.088 54.840 -0.007 0.000 0.825 250 L CB -0.722 41.284 42.059 -0.088 0.000 0.937 250 L HN 0.266 nan 8.230 nan 0.000 0.450 251 N N -0.023 118.674 118.700 -0.006 0.000 2.741 251 N HA -0.265 4.475 4.740 -0.000 0.000 0.250 251 N C 1.131 176.573 175.510 -0.113 0.000 1.115 251 N CA 1.256 54.323 53.050 0.028 0.000 0.724 251 N CB -1.045 37.519 38.487 0.128 0.000 1.090 251 N HN 0.583 nan 8.380 nan 0.000 0.558 252 E N 0.656 120.806 120.200 -0.082 0.000 2.058 252 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 252 E C 1.552 178.098 176.600 -0.090 0.000 0.997 252 E CA 1.872 58.220 56.400 -0.085 0.000 0.801 252 E CB 0.089 29.748 29.700 -0.068 0.000 0.746 252 E HN 0.549 nan 8.360 nan 0.000 0.450 253 S N -1.186 114.476 115.700 -0.063 0.000 2.524 253 S HA 0.357 4.827 4.470 -0.000 0.000 0.216 253 S C 0.613 175.168 174.600 -0.075 0.000 0.987 253 S CA 0.116 58.286 58.200 -0.049 0.000 0.909 253 S CB 1.159 64.353 63.200 -0.010 0.000 0.781 253 S HN 0.437 nan 8.310 nan 0.000 0.521 254 G N 0.039 108.766 108.800 -0.121 0.000 2.337 254 G HA2 0.382 4.342 3.960 -0.000 0.000 0.298 254 G HA3 0.382 4.342 3.960 -0.000 0.000 0.298 254 G C -1.158 173.623 174.900 -0.198 0.000 1.335 254 G CA -1.063 43.900 45.100 -0.228 0.000 0.875 254 G HN 0.092 nan 8.290 nan 0.000 0.579 255 F N -0.986 118.973 119.950 0.014 0.000 2.294 255 F HA 0.574 5.101 4.527 -0.000 0.000 0.319 255 F C 1.943 177.352 175.800 -0.650 0.000 1.107 255 F CA 0.190 58.118 58.000 -0.121 0.000 1.094 255 F CB 0.623 39.586 39.000 -0.061 0.000 1.508 255 F HN 0.325 nan 8.300 nan 0.000 0.506 256 V N 1.307 120.905 119.914 -0.528 0.000 2.392 256 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 256 V C 2.191 178.123 176.094 -0.270 0.000 1.059 256 V CA 2.350 64.271 62.300 -0.632 0.000 1.051 256 V CB -0.663 31.023 31.823 -0.229 0.000 0.658 256 V HN 0.802 nan 8.190 nan 0.000 0.455 257 E N -0.937 119.199 120.200 -0.105 0.000 2.153 257 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 257 E C 1.623 178.197 176.600 -0.043 0.000 0.988 257 E CA 1.720 58.094 56.400 -0.043 0.000 0.811 257 E CB -0.602 29.108 29.700 0.017 0.000 0.746 257 E HN 0.675 nan 8.360 nan 0.000 0.466 258 D N 0.923 121.297 120.400 -0.043 0.000 2.123 258 D HA -0.061 4.579 4.640 -0.000 0.000 0.200 258 D C 1.832 178.112 176.300 -0.033 0.000 0.976 258 D CA 1.515 55.500 54.000 -0.025 0.000 0.831 258 D CB -0.121 40.671 40.800 -0.014 0.000 0.974 258 D HN 0.179 nan 8.370 nan 0.000 0.469 259 T N 1.817 116.335 114.554 -0.059 0.000 2.684 259 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 259 T C 2.288 176.958 174.700 -0.049 0.000 1.036 259 T CA 0.651 62.748 62.100 -0.005 0.000 1.148 259 T CB -0.334 68.572 68.868 0.063 0.000 0.863 259 T HN 0.088 nan 8.240 nan 0.000 0.436 260 L N 0.687 121.848 121.223 -0.102 0.000 2.079 260 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 260 L C 2.980 179.797 176.870 -0.089 0.000 1.081 260 L CA 1.304 56.056 54.840 -0.147 0.000 0.752 260 L CB -0.637 41.283 42.059 -0.231 0.000 0.896 260 L HN 0.248 nan 8.230 nan 0.000 0.433 261 A N -0.153 122.636 122.820 -0.052 0.000 1.933 261 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 261 A C 2.521 180.092 177.584 -0.021 0.000 1.175 261 A CA 1.663 53.686 52.037 -0.024 0.000 0.628 261 A CB -0.636 18.358 19.000 -0.010 0.000 0.814 261 A HN 0.403 nan 8.150 nan 0.000 0.444 262 A N 0.003 122.811 122.820 -0.020 0.000 1.930 262 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 262 A C 2.061 179.632 177.584 -0.021 0.000 1.175 262 A CA 1.350 53.379 52.037 -0.014 0.000 0.627 262 A CB -0.600 18.398 19.000 -0.005 0.000 0.815 262 A HN 0.491 nan 8.150 nan 0.000 0.443 263 I N -0.211 120.339 120.570 -0.034 0.000 2.335 263 I HA -0.157 4.013 4.170 -0.000 0.000 0.251 263 I C 1.752 177.849 176.117 -0.035 0.000 1.129 263 I CA 0.954 62.229 61.300 -0.042 0.000 1.402 263 I CB -0.830 37.131 38.000 -0.066 0.000 1.069 263 I HN 0.480 nan 8.210 nan 0.000 0.424 264 G N 1.207 109.990 108.800 -0.029 0.000 2.366 264 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.299 264 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.299 264 G C 0.986 175.879 174.900 -0.011 0.000 1.020 264 G CA 0.454 45.544 45.100 -0.016 0.000 1.026 264 G HN 0.948 nan 8.290 nan 0.000 0.512 265 G N -1.601 107.193 108.800 -0.010 0.000 2.166 265 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 265 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 265 G C 0.555 175.448 174.900 -0.012 0.000 0.986 265 G CA 1.132 46.233 45.100 0.001 0.000 0.683 265 G HN 1.036 nan 8.290 nan 0.000 0.527 266 R N 0.295 120.780 120.500 -0.024 0.000 2.457 266 R HA 0.486 4.826 4.340 -0.000 0.000 0.284 266 R C 0.460 176.735 176.300 -0.041 0.000 1.024 266 R CA -0.235 55.846 56.100 -0.031 0.000 1.025 266 R CB 0.600 30.880 30.300 -0.033 0.000 1.063 266 R HN 0.137 nan 8.270 nan 0.000 0.493 267 T N 3.087 117.614 114.554 -0.046 0.000 2.908 267 T HA 0.163 4.513 4.350 -0.000 0.000 0.301 267 T C 0.120 174.775 174.700 -0.075 0.000 1.019 267 T CA 0.576 62.641 62.100 -0.059 0.000 1.152 267 T CB 0.011 68.840 68.868 -0.065 0.000 0.966 267 T HN 0.389 nan 8.240 nan 0.000 0.540 268 I N 1.762 122.284 120.570 -0.081 0.000 2.787 268 I HA 0.240 4.410 4.170 -0.000 0.000 0.294 268 I C -0.864 175.211 176.117 -0.070 0.000 1.365 268 I CA -0.850 60.393 61.300 -0.095 0.000 1.029 268 I CB 2.110 40.051 38.000 -0.098 0.000 1.313 268 I HN 0.740 nan 8.210 nan 0.000 0.431 269 H N 5.474 124.399 119.070 -0.243 0.000 2.556 269 H HA 0.420 4.976 4.556 -0.000 0.000 0.310 269 H C -0.897 174.254 175.328 -0.296 0.000 1.057 269 H CA -0.546 55.352 56.048 -0.252 0.000 1.264 269 H CB 1.034 30.622 29.762 -0.290 0.000 1.404 269 H HN 0.605 nan 8.280 nan 0.000 0.462 270 T N 3.478 118.014 114.554 -0.030 0.000 2.728 270 T HA 0.183 4.533 4.350 -0.000 0.000 0.296 270 T C -0.056 174.564 174.700 -0.134 0.000 0.940 270 T CA -0.772 61.233 62.100 -0.159 0.000 1.013 270 T CB 0.146 68.957 68.868 -0.096 0.000 0.912 270 T HN 0.205 nan 8.240 nan 0.000 0.484 271 F N 4.066 123.760 119.950 -0.427 0.000 2.459 271 F HA 0.224 4.751 4.527 -0.000 0.000 0.346 271 F C 1.515 176.925 175.800 -0.649 0.000 1.128 271 F CA -0.811 56.842 58.000 -0.579 0.000 1.268 271 F CB -0.208 38.321 39.000 -0.786 0.000 1.161 271 F HN 0.940 nan 8.300 nan 0.000 0.583 272 H N -0.396 118.835 119.070 0.267 0.000 2.166 272 H HA -0.210 4.346 4.556 -0.000 0.000 0.323 272 H C 0.799 176.183 175.328 0.092 0.000 0.936 272 H CA 0.412 56.543 56.048 0.139 0.000 1.073 272 H CB -2.450 27.340 29.762 0.046 0.000 1.592 272 H HN 0.552 nan 8.280 nan 0.000 0.346 273 T N -0.850 113.787 114.554 0.138 0.000 2.918 273 T HA -0.240 4.110 4.350 -0.000 0.000 0.271 273 T C 1.729 176.565 174.700 0.227 0.000 1.104 273 T CA 1.337 63.462 62.100 0.042 0.000 1.114 273 T CB 0.037 68.675 68.868 -0.383 0.000 0.855 273 T HN 0.708 nan 8.240 nan 0.000 0.518 274 E N 0.704 121.119 120.200 0.360 0.000 2.152 274 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 274 E C 1.937 178.598 176.600 0.102 0.000 0.983 274 E CA 1.130 57.688 56.400 0.262 0.000 0.818 274 E CB -0.247 29.572 29.700 0.197 0.000 0.758 274 E HN 0.585 nan 8.360 nan 0.000 0.467 275 G N -0.009 108.837 108.800 0.077 0.000 2.307 275 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.210 275 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.210 275 G C 1.383 176.204 174.900 -0.132 0.000 1.005 275 G CA 0.627 45.710 45.100 -0.028 0.000 0.634 275 G HN 0.547 nan 8.290 nan 0.000 0.496 276 A N 0.752 123.505 122.820 -0.113 0.000 1.978 276 A HA 0.310 4.630 4.320 -0.000 0.000 0.220 276 A C 2.596 180.068 177.584 -0.187 0.000 1.170 276 A CA 2.480 54.442 52.037 -0.125 0.000 0.636 276 A CB -0.827 18.119 19.000 -0.089 0.000 0.810 276 A HN 1.677 nan 8.150 nan 0.000 0.448 277 G N -1.736 106.863 108.800 -0.336 0.000 2.985 277 G HA2 0.448 4.408 3.960 -0.000 0.000 0.209 277 G HA3 0.448 4.408 3.960 -0.000 0.000 0.209 277 G C 0.655 174.932 174.900 -1.039 0.000 1.165 277 G CA 0.725 45.454 45.100 -0.618 0.000 0.776 277 G HN 1.620 nan 8.290 nan 0.000 0.541 278 G N -2.127 106.184 108.800 -0.815 0.000 2.435 278 G HA2 0.572 4.532 3.960 -0.000 0.000 0.603 278 G HA3 0.572 4.532 3.960 -0.000 0.000 0.603 278 G C -0.297 174.368 174.900 -0.392 0.000 1.496 278 G CA -0.082 44.616 45.100 -0.670 0.000 0.896 278 G HN 1.790 nan 8.290 nan 0.000 0.657 279 G N 0.445 109.179 108.800 -0.109 0.000 2.317 279 G HA2 0.476 4.436 3.960 -0.000 0.000 0.445 279 G HA3 0.476 4.436 3.960 -0.000 0.000 0.445 279 G C -0.494 174.428 174.900 0.037 0.000 1.486 279 G CA -0.428 44.679 45.100 0.011 0.000 0.991 279 G HN 1.373 nan 8.290 nan 0.000 0.660 280 H N 0.160 119.275 119.070 0.075 0.000 3.231 280 H HA 0.238 4.794 4.556 -0.000 0.000 0.280 280 H C 1.120 176.485 175.328 0.061 0.000 0.901 280 H CA 1.514 57.616 56.048 0.090 0.000 1.414 280 H CB 0.549 30.374 29.762 0.104 0.000 1.433 280 H HN 0.938 nan 8.280 nan 0.000 0.549 281 A N 6.971 129.884 122.820 0.156 0.000 2.320 281 A HA 0.256 4.576 4.320 -0.000 0.000 0.287 281 A C -1.491 176.137 177.584 0.072 0.000 1.181 281 A CA -1.177 50.892 52.037 0.054 0.000 0.831 281 A CB 0.597 19.624 19.000 0.045 0.000 1.102 281 A HN 0.551 nan 8.150 nan 0.000 0.513 282 P HA 0.157 nan 4.420 nan 0.000 0.290 282 P C -0.560 176.698 177.300 -0.070 0.000 1.447 282 P CA 0.163 63.155 63.100 -0.179 0.000 1.127 282 P CB 0.577 31.959 31.700 -0.531 0.000 1.555 283 D N -0.582 119.828 120.400 0.016 0.000 2.525 283 D HA 0.030 4.670 4.640 -0.000 0.000 0.229 283 D C 1.271 177.610 176.300 0.064 0.000 1.202 283 D CA -0.660 53.361 54.000 0.036 0.000 0.828 283 D CB -0.493 40.323 40.800 0.026 0.000 1.008 283 D HN -0.028 nan 8.370 nan 0.000 0.493 284 I N 0.524 121.148 120.570 0.091 0.000 2.567 284 I HA -0.091 4.079 4.170 -0.000 0.000 0.257 284 I C 1.683 177.852 176.117 0.085 0.000 1.184 284 I CA 0.715 62.078 61.300 0.106 0.000 1.451 284 I CB -0.194 37.884 38.000 0.131 0.000 1.089 284 I HN 0.197 nan 8.210 nan 0.000 0.441 285 I N 0.414 121.045 120.570 0.103 0.000 2.423 285 I HA -0.336 3.834 4.170 -0.000 0.000 0.254 285 I C 2.237 178.439 176.117 0.141 0.000 1.151 285 I CA 1.845 63.240 61.300 0.160 0.000 1.421 285 I CB -0.325 37.778 38.000 0.172 0.000 1.079 285 I HN 0.507 nan 8.210 nan 0.000 0.431 286 T N -1.340 113.274 114.554 0.101 0.000 2.977 286 T HA -0.046 4.304 4.350 -0.000 0.000 0.271 286 T C 1.860 176.645 174.700 0.141 0.000 1.105 286 T CA 0.792 62.956 62.100 0.108 0.000 1.116 286 T CB -0.531 68.391 68.868 0.089 0.000 0.878 286 T HN 0.402 nan 8.240 nan 0.000 0.509 287 A N 1.287 124.158 122.820 0.084 0.000 2.024 287 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 287 A C 2.692 180.337 177.584 0.103 0.000 1.164 287 A CA 1.457 53.525 52.037 0.052 0.000 0.643 287 A CB -1.622 17.350 19.000 -0.046 0.000 0.806 287 A HN 1.032 nan 8.150 nan 0.000 0.451 288 C N -1.811 117.520 119.300 0.051 0.000 2.460 288 C HA 0.396 4.856 4.460 -0.000 0.000 0.291 288 C C 2.329 177.359 174.990 0.068 0.000 1.493 288 C CA 0.110 59.138 59.018 0.016 0.000 1.748 288 C CB -1.762 25.997 27.740 0.033 0.000 1.656 288 C HN 0.649 nan 8.230 nan 0.000 0.576 289 A N -0.771 122.116 122.820 0.112 0.000 2.178 289 A HA 0.186 4.506 4.320 -0.000 0.000 0.211 289 A C 0.903 178.428 177.584 -0.100 0.000 1.157 289 A CA 0.053 52.089 52.037 -0.001 0.000 0.780 289 A CB -0.568 18.397 19.000 -0.057 0.000 0.828 289 A HN 0.856 nan 8.150 nan 0.000 0.476 290 H N 0.041 119.099 119.070 -0.020 0.000 2.525 290 H HA 0.161 4.717 4.556 -0.000 0.000 0.339 290 H C -1.611 173.699 175.328 -0.030 0.000 1.109 290 H CA -1.499 54.535 56.048 -0.023 0.000 1.352 290 H CB 1.246 30.992 29.762 -0.026 0.000 1.461 290 H HN 0.154 nan 8.280 nan 0.000 0.533 291 P HA -0.131 nan 4.420 nan 0.000 0.221 291 P C 0.788 178.096 177.300 0.014 0.000 1.150 291 P CA 1.038 64.151 63.100 0.020 0.000 0.800 291 P CB 0.371 32.074 31.700 0.005 0.000 0.787 292 N N -0.452 118.266 118.700 0.031 0.000 2.353 292 N HA 0.008 4.748 4.740 -0.000 0.000 0.185 292 N C 0.373 175.870 175.510 -0.022 0.000 1.098 292 N CA 0.150 53.199 53.050 -0.002 0.000 0.872 292 N CB -0.124 38.361 38.487 -0.002 0.000 0.970 292 N HN 0.088 nan 8.380 nan 0.000 0.467 293 I N 2.039 122.605 120.570 -0.007 0.000 2.342 293 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 293 I C 0.024 176.108 176.117 -0.056 0.000 1.010 293 I CA -0.782 60.496 61.300 -0.036 0.000 1.308 293 I CB 1.295 39.279 38.000 -0.026 0.000 1.400 293 I HN -0.034 nan 8.210 nan 0.000 0.488 294 L N 8.870 130.051 121.223 -0.070 0.000 2.283 294 L HA 0.386 4.726 4.340 -0.000 0.000 0.281 294 L C -2.298 174.525 176.870 -0.078 0.000 1.033 294 L CA -1.550 53.228 54.840 -0.104 0.000 0.848 294 L CB 1.275 43.241 42.059 -0.154 0.000 1.226 294 L HN 0.327 nan 8.230 nan 0.000 0.429 295 P HA 0.279 nan 4.420 nan 0.000 0.290 295 P C -0.889 176.292 177.300 -0.199 0.000 1.276 295 P CA -0.319 62.634 63.100 -0.244 0.000 0.808 295 P CB 1.948 33.323 31.700 -0.542 0.000 0.966 296 S N 1.565 117.244 115.700 -0.035 0.000 2.632 296 S HA 0.738 5.208 4.470 -0.000 0.000 0.289 296 S C -0.508 174.224 174.600 0.219 0.000 1.115 296 S CA -0.668 57.626 58.200 0.156 0.000 0.889 296 S CB 1.244 64.678 63.200 0.390 0.000 1.116 296 S HN 0.326 nan 8.310 nan 0.000 0.486 297 S N 1.169 117.096 115.700 0.379 0.000 2.568 297 S HA 0.800 5.270 4.470 -0.000 0.000 0.302 297 S C -0.149 174.598 174.600 0.244 0.000 1.082 297 S CA -0.774 57.672 58.200 0.409 0.000 1.009 297 S CB 1.668 65.233 63.200 0.607 0.000 1.069 297 S HN 1.005 nan 8.310 nan 0.000 0.500 298 T N -0.112 114.548 114.554 0.176 0.000 2.934 298 T HA 0.305 4.655 4.350 -0.000 0.000 0.283 298 T C 0.983 175.707 174.700 0.040 0.000 1.005 298 T CA -0.814 61.309 62.100 0.039 0.000 1.041 298 T CB 0.559 69.402 68.868 -0.042 0.000 1.042 298 T HN 0.586 nan 8.240 nan 0.000 0.505 299 N N 0.674 119.364 118.700 -0.016 0.000 2.457 299 N HA 0.010 4.750 4.740 -0.000 0.000 0.180 299 N C -0.846 174.669 175.510 0.008 0.000 1.050 299 N CA -0.071 52.971 53.050 -0.014 0.000 0.906 299 N CB -1.365 37.092 38.487 -0.050 0.000 0.968 299 N HN 0.460 nan 8.380 nan 0.000 0.445 300 P HA -0.065 nan 4.420 nan 0.000 0.225 300 P C 0.478 177.883 177.300 0.174 0.000 1.148 300 P CA 1.335 64.488 63.100 0.088 0.000 0.779 300 P CB -0.231 31.501 31.700 0.052 0.000 0.780 301 T N -3.520 111.100 114.554 0.110 0.000 3.122 301 T HA 0.274 4.624 4.350 -0.000 0.000 0.250 301 T C 0.603 175.329 174.700 0.044 0.000 1.067 301 T CA -0.200 61.920 62.100 0.033 0.000 0.966 301 T CB -0.481 68.372 68.868 -0.025 0.000 1.002 301 T HN -0.019 nan 8.240 nan 0.000 0.542 302 L N 3.114 124.362 121.223 0.043 0.000 2.298 302 L HA 0.552 4.892 4.340 -0.000 0.000 0.284 302 L C -2.539 174.348 176.870 0.027 0.000 1.013 302 L CA -2.305 52.550 54.840 0.025 0.000 0.824 302 L CB 1.999 44.044 42.059 -0.022 0.000 1.221 302 L HN -0.023 nan 8.230 nan 0.000 0.418 303 P HA 0.132 nan 4.420 nan 0.000 0.286 303 P C -1.321 176.058 177.300 0.132 0.000 1.292 303 P CA -0.750 62.401 63.100 0.083 0.000 0.842 303 P CB 1.139 32.889 31.700 0.083 0.000 1.207 304 Y N 1.605 121.901 120.300 -0.006 0.000 2.677 304 Y HA 0.265 4.815 4.550 -0.000 0.000 0.335 304 Y C 0.384 176.282 175.900 -0.003 0.000 1.162 304 Y CA 0.436 58.526 58.100 -0.017 0.000 1.483 304 Y CB -0.655 37.793 38.460 -0.021 0.000 1.209 304 Y HN 0.415 nan 8.280 nan 0.000 0.528 305 T N 2.444 116.935 114.554 -0.106 0.000 2.773 305 T HA 0.391 4.741 4.350 -0.000 0.000 0.278 305 T C 0.983 175.530 174.700 -0.256 0.000 1.011 305 T CA -0.807 61.173 62.100 -0.200 0.000 1.014 305 T CB 0.756 69.589 68.868 -0.058 0.000 1.293 305 T HN 0.570 nan 8.240 nan 0.000 0.554 306 L N 0.508 121.627 121.223 -0.173 0.000 2.083 306 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 306 L C 2.243 179.083 176.870 -0.050 0.000 1.083 306 L CA 1.153 55.919 54.840 -0.123 0.000 0.752 306 L CB -0.452 41.558 42.059 -0.082 0.000 0.899 306 L HN 0.658 nan 8.230 nan 0.000 0.433 307 N N -1.285 117.403 118.700 -0.021 0.000 2.353 307 N HA -0.027 4.713 4.740 -0.000 0.000 0.185 307 N C 1.596 177.138 175.510 0.054 0.000 1.098 307 N CA 0.594 53.652 53.050 0.014 0.000 0.872 307 N CB 0.244 38.738 38.487 0.012 0.000 0.970 307 N HN 0.242 nan 8.380 nan 0.000 0.467 308 T N 2.425 117.019 114.554 0.068 0.000 2.597 308 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 308 T C 1.984 176.759 174.700 0.126 0.000 1.053 308 T CA 0.949 63.119 62.100 0.116 0.000 1.165 308 T CB -0.013 68.918 68.868 0.106 0.000 0.863 308 T HN 0.113 nan 8.240 nan 0.000 0.427 309 I N 1.836 122.455 120.570 0.083 0.000 2.142 309 I HA -0.138 4.032 4.170 -0.000 0.000 0.240 309 I C 2.142 178.308 176.117 0.082 0.000 1.078 309 I CA 1.621 62.959 61.300 0.063 0.000 1.343 309 I CB -1.495 36.545 38.000 0.066 0.000 1.046 309 I HN 0.281 nan 8.210 nan 0.000 0.405 310 D N 0.644 121.083 120.400 0.065 0.000 2.116 310 D HA -0.253 4.387 4.640 -0.000 0.000 0.193 310 D C 2.161 178.491 176.300 0.049 0.000 0.998 310 D CA 1.524 55.551 54.000 0.046 0.000 0.836 310 D CB -0.196 40.622 40.800 0.030 0.000 0.951 310 D HN 0.473 nan 8.370 nan 0.000 0.449 311 E N -0.106 120.137 120.200 0.072 0.000 2.077 311 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 311 E C 1.679 178.288 176.600 0.015 0.000 0.989 311 E CA 1.017 57.442 56.400 0.042 0.000 0.800 311 E CB -0.022 29.712 29.700 0.057 0.000 0.746 311 E HN 0.416 nan 8.360 nan 0.000 0.452 312 H N 0.458 119.506 119.070 -0.036 0.000 2.456 312 H HA -0.046 4.510 4.556 -0.000 0.000 0.296 312 H C 2.053 177.340 175.328 -0.069 0.000 1.079 312 H CA 1.370 57.385 56.048 -0.056 0.000 1.322 312 H CB -0.097 29.632 29.762 -0.056 0.000 1.388 312 H HN 0.184 nan 8.280 nan 0.000 0.538 313 L N -0.187 121.063 121.223 0.045 0.000 2.079 313 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 313 L C 1.709 178.557 176.870 -0.037 0.000 1.081 313 L CA 1.379 56.216 54.840 -0.004 0.000 0.752 313 L CB -0.196 41.866 42.059 0.004 0.000 0.896 313 L HN 0.319 nan 8.230 nan 0.000 0.433 314 D N -0.834 119.539 120.400 -0.046 0.000 2.262 314 D HA 0.019 4.659 4.640 -0.000 0.000 0.212 314 D C 1.397 177.644 176.300 -0.088 0.000 0.964 314 D CA 0.177 54.142 54.000 -0.058 0.000 0.875 314 D CB 0.266 41.036 40.800 -0.051 0.000 0.996 314 D HN 0.164 nan 8.370 nan 0.000 0.497 332 F N 1.638 121.602 119.950 0.023 0.000 2.725 332 F HA 0.683 5.210 4.527 -0.000 0.000 0.303 332 F C 1.492 177.301 175.800 0.014 0.000 1.167 332 F CA -0.027 57.986 58.000 0.022 0.000 1.403 332 F CB -1.367 37.642 39.000 0.015 0.000 1.077 332 F HN 0.241 nan 8.300 nan 0.000 0.537 333 A N 0.991 123.770 122.820 -0.068 0.000 1.854 333 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 333 A C 2.188 179.710 177.584 -0.103 0.000 1.192 333 A CA 1.291 53.214 52.037 -0.191 0.000 0.611 333 A CB -0.668 18.288 19.000 -0.073 0.000 0.832 333 A HN 0.466 nan 8.150 nan 0.000 0.442 334 E N 0.419 120.616 120.200 -0.005 0.000 2.347 334 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 334 E C 2.123 178.753 176.600 0.050 0.000 1.008 334 E CA 1.075 57.496 56.400 0.037 0.000 0.852 334 E CB -0.105 29.643 29.700 0.081 0.000 0.783 334 E HN 0.776 nan 8.360 nan 0.000 0.505 335 S N 0.434 116.153 115.700 0.032 0.000 2.470 335 S HA -0.027 4.443 4.470 -0.000 0.000 0.225 335 S C 1.918 176.429 174.600 -0.149 0.000 1.006 335 S CA 0.282 58.476 58.200 -0.010 0.000 0.934 335 S CB 0.168 63.426 63.200 0.097 0.000 0.778 335 S HN 0.087 nan 8.310 nan 0.000 0.517 336 R N 0.660 121.067 120.500 -0.155 0.000 2.105 336 R HA 0.368 4.708 4.340 -0.000 0.000 0.214 336 R C 0.001 176.193 176.300 -0.179 0.000 1.091 336 R CA 0.413 56.395 56.100 -0.196 0.000 1.007 336 R CB 0.034 30.148 30.300 -0.310 0.000 0.912 336 R HN 0.385 nan 8.270 nan 0.000 0.450 337 I N 2.725 123.207 120.570 -0.147 0.000 2.291 337 I HA 0.238 4.408 4.170 -0.000 0.000 0.290 337 I C -0.668 175.391 176.117 -0.097 0.000 1.050 337 I CA -0.212 61.017 61.300 -0.118 0.000 1.245 337 I CB 1.260 39.218 38.000 -0.070 0.000 1.405 337 I HN 0.066 nan 8.210 nan 0.000 0.478 338 R N 5.125 125.549 120.500 -0.126 0.000 2.451 338 R HA 0.356 4.696 4.340 -0.000 0.000 0.307 338 R C 0.958 177.195 176.300 -0.104 0.000 0.965 338 R CA -0.787 55.267 56.100 -0.076 0.000 0.865 338 R CB 1.958 32.175 30.300 -0.139 0.000 1.174 338 R HN 0.488 nan 8.270 nan 0.000 0.455 339 R N 1.956 122.413 120.500 -0.071 0.000 2.103 339 R HA -0.251 4.089 4.340 -0.000 0.000 0.242 339 R C 0.554 176.708 176.300 -0.244 0.000 1.142 339 R CA 2.066 58.073 56.100 -0.155 0.000 0.960 339 R CB 0.246 30.532 30.300 -0.023 0.000 0.858 339 R HN 0.580 nan 8.270 nan 0.000 0.439 340 E N -0.478 119.662 120.200 -0.100 0.000 2.058 340 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 340 E C 2.036 178.560 176.600 -0.126 0.000 0.997 340 E CA 2.288 58.639 56.400 -0.081 0.000 0.801 340 E CB -0.344 29.375 29.700 0.031 0.000 0.746 340 E HN 0.607 nan 8.360 nan 0.000 0.450 341 T N -1.100 113.383 114.554 -0.118 0.000 2.942 341 T HA 0.008 4.358 4.350 -0.000 0.000 0.265 341 T C 2.001 176.593 174.700 -0.179 0.000 1.062 341 T CA 0.606 62.634 62.100 -0.119 0.000 1.139 341 T CB -0.307 68.507 68.868 -0.089 0.000 0.883 341 T HN 0.042 nan 8.240 nan 0.000 0.468 342 I N 1.800 122.218 120.570 -0.253 0.000 2.226 342 I HA -0.105 4.065 4.170 -0.000 0.000 0.245 342 I C 3.176 179.056 176.117 -0.395 0.000 1.100 342 I CA 1.284 62.397 61.300 -0.312 0.000 1.374 342 I CB -0.582 37.189 38.000 -0.382 0.000 1.057 342 I HN 0.350 nan 8.210 nan 0.000 0.413 343 A N 0.731 123.210 122.820 -0.569 0.000 1.897 343 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 343 A C 2.563 180.037 177.584 -0.184 0.000 1.181 343 A CA 1.549 53.318 52.037 -0.447 0.000 0.620 343 A CB -0.749 17.986 19.000 -0.441 0.000 0.821 343 A HN 0.406 nan 8.150 nan 0.000 0.443 344 A N -0.135 122.579 122.820 -0.176 0.000 1.908 344 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 344 A C 2.005 179.470 177.584 -0.198 0.000 1.181 344 A CA 1.899 53.853 52.037 -0.138 0.000 0.627 344 A CB -0.641 18.291 19.000 -0.114 0.000 0.818 344 A HN 0.684 nan 8.150 nan 0.000 0.445 345 E N -0.158 119.888 120.200 -0.257 0.000 2.114 345 E HA -0.303 4.047 4.350 -0.000 0.000 0.199 345 E C 1.305 177.762 176.600 -0.238 0.000 1.008 345 E CA 1.731 57.882 56.400 -0.415 0.000 0.810 345 E CB -0.202 29.344 29.700 -0.256 0.000 0.739 345 E HN 0.575 nan 8.360 nan 0.000 0.456 346 D N -0.236 120.123 120.400 -0.068 0.000 2.117 346 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 346 D C 2.036 178.371 176.300 0.059 0.000 0.987 346 D CA 1.201 55.231 54.000 0.051 0.000 0.829 346 D CB -0.176 40.668 40.800 0.073 0.000 0.961 346 D HN 0.123 nan 8.370 nan 0.000 0.460 347 V N 0.749 120.659 119.914 -0.006 0.000 2.307 347 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 347 V C 2.564 178.642 176.094 -0.026 0.000 1.045 347 V CA 1.014 63.319 62.300 0.009 0.000 1.024 347 V CB -0.515 31.303 31.823 -0.007 0.000 0.651 347 V HN 0.200 nan 8.190 nan 0.000 0.449 348 L N -0.746 120.387 121.223 -0.149 0.000 2.187 348 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 348 L C 2.446 179.204 176.870 -0.187 0.000 1.100 348 L CA 1.674 56.388 54.840 -0.211 0.000 0.765 348 L CB -0.668 41.116 42.059 -0.459 0.000 0.904 348 L HN 0.431 nan 8.230 nan 0.000 0.437 349 H N -1.219 117.750 119.070 -0.169 0.000 2.372 349 H HA -0.160 4.396 4.556 -0.000 0.000 0.301 349 H C 1.924 177.162 175.328 -0.151 0.000 1.065 349 H CA 1.472 57.444 56.048 -0.125 0.000 1.364 349 H CB 0.220 29.921 29.762 -0.102 0.000 1.406 349 H HN 0.181 nan 8.280 nan 0.000 0.521 350 D N -0.107 120.377 120.400 0.140 0.000 2.218 350 D HA -0.100 4.540 4.640 -0.000 0.000 0.204 350 D C 1.614 177.990 176.300 0.126 0.000 0.976 350 D CA 0.707 54.833 54.000 0.209 0.000 0.853 350 D CB 0.043 40.991 40.800 0.248 0.000 0.939 350 D HN 0.327 nan 8.370 nan 0.000 0.481 351 L N -1.503 119.765 121.223 0.075 0.000 2.509 351 L HA 0.234 4.574 4.340 -0.000 0.000 0.222 351 L C 1.586 178.499 176.870 0.072 0.000 1.123 351 L CA 0.528 55.414 54.840 0.076 0.000 0.856 351 L CB 0.059 42.149 42.059 0.051 0.000 0.985 351 L HN 0.233 nan 8.230 nan 0.000 0.456 352 G N -0.503 108.317 108.800 0.034 0.000 2.131 352 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.223 352 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.223 352 G C 0.865 175.790 174.900 0.043 0.000 0.990 352 G CA 0.337 45.458 45.100 0.035 0.000 0.671 352 G HN 0.381 nan 8.290 nan 0.000 0.521 353 A N -0.872 121.982 122.820 0.057 0.000 1.975 353 A HA 0.637 4.957 4.320 -0.000 0.000 0.215 353 A C 0.651 178.353 177.584 0.197 0.000 1.170 353 A CA 0.836 52.944 52.037 0.117 0.000 0.656 353 A CB 0.038 19.123 19.000 0.141 0.000 0.821 353 A HN 0.584 nan 8.150 nan 0.000 0.449 354 F N -0.062 119.735 119.950 -0.255 0.000 2.420 354 F HA 0.431 4.958 4.527 -0.000 0.000 0.342 354 F C 1.132 176.779 175.800 -0.254 0.000 1.113 354 F CA -1.017 56.761 58.000 -0.369 0.000 1.059 354 F CB 1.937 40.388 39.000 -0.916 0.000 1.128 354 F HN -0.020 nan 8.300 nan 0.000 0.475 355 S N 2.370 118.053 115.700 -0.028 0.000 2.511 355 S HA 0.335 4.805 4.470 -0.000 0.000 0.214 355 S C -0.100 174.524 174.600 0.040 0.000 0.997 355 S CA 0.043 58.240 58.200 -0.005 0.000 0.908 355 S CB 0.282 63.451 63.200 -0.051 0.000 0.803 355 S HN 0.260 nan 8.310 nan 0.000 0.504 356 L N 1.316 122.604 121.223 0.108 0.000 2.359 356 L HA 0.615 4.955 4.340 -0.000 0.000 0.256 356 L C -0.253 176.783 176.870 0.277 0.000 1.026 356 L CA -0.315 54.611 54.840 0.143 0.000 0.828 356 L CB 2.001 44.099 42.059 0.065 0.000 1.406 356 L HN 0.061 nan 8.230 nan 0.000 0.413 357 T N -2.097 112.579 114.554 0.203 0.000 2.893 357 T HA 0.920 5.270 4.350 -0.000 0.000 0.293 357 T C -0.525 174.255 174.700 0.135 0.000 1.027 357 T CA -0.557 61.640 62.100 0.162 0.000 0.988 357 T CB 1.784 70.681 68.868 0.047 0.000 1.043 357 T HN 0.739 nan 8.240 nan 0.000 0.461 358 S N 0.841 116.603 115.700 0.103 0.000 2.705 358 S HA 0.714 5.184 4.470 -0.000 0.000 0.280 358 S C 0.947 175.535 174.600 -0.020 0.000 1.174 358 S CA -0.107 58.134 58.200 0.067 0.000 0.823 358 S CB 1.230 64.513 63.200 0.137 0.000 1.162 358 S HN 1.124 nan 8.310 nan 0.000 0.487 359 S N 0.002 115.662 115.700 -0.066 0.000 2.433 359 S HA 0.238 4.708 4.470 -0.000 0.000 0.216 359 S C 0.253 174.724 174.600 -0.215 0.000 1.031 359 S CA 1.122 59.251 58.200 -0.118 0.000 0.931 359 S CB -0.772 62.365 63.200 -0.104 0.000 0.875 359 S HN 1.191 nan 8.310 nan 0.000 0.553 360 D N 1.577 121.799 120.400 -0.295 0.000 2.813 360 D HA -0.125 4.515 4.640 -0.000 0.000 0.241 360 D C -0.511 175.684 176.300 -0.175 0.000 1.071 360 D CA 0.688 54.430 54.000 -0.430 0.000 0.747 360 D CB -1.880 38.560 40.800 -0.600 0.000 1.077 360 D HN 0.641 nan 8.370 nan 0.000 0.436 361 S N 1.046 116.691 115.700 -0.092 0.000 2.885 361 S HA 0.020 4.490 4.470 -0.000 0.000 0.334 361 S C 1.051 175.568 174.600 -0.138 0.000 1.224 361 S CA 0.916 59.051 58.200 -0.109 0.000 1.080 361 S CB 0.819 63.947 63.200 -0.120 0.000 0.801 361 S HN 0.462 nan 8.310 nan 0.000 0.510 362 Q N 0.028 119.737 119.800 -0.151 0.000 2.468 362 Q HA -0.279 4.061 4.340 -0.000 0.000 0.256 362 Q C 0.295 176.150 176.000 -0.242 0.000 0.984 362 Q CA 1.018 56.725 55.803 -0.159 0.000 1.110 362 Q CB -2.054 26.629 28.738 -0.092 0.000 1.527 362 Q HN 1.217 nan 8.270 nan 0.000 0.535 363 A N 0.154 122.775 122.820 -0.331 0.000 3.292 363 A HA 0.570 4.890 4.320 -0.000 0.000 0.231 363 A C 0.395 177.815 177.584 -0.273 0.000 0.952 363 A CA 0.126 51.921 52.037 -0.404 0.000 1.044 363 A CB 0.462 18.898 19.000 -0.941 0.000 1.236 363 A HN 0.342 nan 8.150 nan 0.000 0.525 364 M N -1.279 118.186 119.600 -0.225 0.000 2.665 364 M HA -0.141 4.339 4.480 -0.000 0.000 0.217 364 M C 0.176 176.365 176.300 -0.185 0.000 0.487 364 M CA 0.925 56.102 55.300 -0.204 0.000 0.657 364 M CB -1.474 31.023 32.600 -0.172 0.000 2.412 364 M HN 1.263 nan 8.290 nan 0.000 0.767 365 G N 0.553 109.244 108.800 -0.182 0.000 2.556 365 G HA2 0.661 4.621 3.960 -0.000 0.000 0.294 365 G HA3 0.661 4.621 3.960 -0.000 0.000 0.294 365 G C -1.380 173.436 174.900 -0.139 0.000 1.516 365 G CA -1.142 43.865 45.100 -0.156 0.000 0.824 365 G HN 0.254 nan 8.290 nan 0.000 0.535 366 R N 1.656 122.085 120.500 -0.118 0.000 2.275 366 R HA 0.385 4.725 4.340 -0.000 0.000 0.326 366 R C 1.116 177.355 176.300 -0.101 0.000 0.973 366 R CA -0.721 55.313 56.100 -0.109 0.000 0.854 366 R CB 2.033 32.268 30.300 -0.108 0.000 1.156 366 R HN 0.345 nan 8.270 nan 0.000 0.487 367 V N 2.955 122.811 119.914 -0.096 0.000 2.439 367 V HA -0.185 3.935 4.120 -0.000 0.000 0.253 367 V C 1.401 177.452 176.094 -0.072 0.000 1.074 367 V CA 2.609 64.857 62.300 -0.086 0.000 1.076 367 V CB -0.131 31.644 31.823 -0.079 0.000 0.664 367 V HN 0.991 nan 8.190 nan 0.000 0.461 368 G N -1.373 107.385 108.800 -0.071 0.000 3.434 368 G HA2 0.176 4.136 3.960 -0.000 0.000 0.258 368 G HA3 0.176 4.136 3.960 -0.000 0.000 0.258 368 G C 0.708 175.569 174.900 -0.065 0.000 1.128 368 G CA 0.110 45.174 45.100 -0.059 0.000 0.792 368 G HN 0.619 nan 8.290 nan 0.000 0.539 369 E N -0.117 120.032 120.200 -0.085 0.000 2.693 369 E HA 0.123 4.473 4.350 -0.000 0.000 0.214 369 E C 1.523 178.058 176.600 -0.109 0.000 0.990 369 E CA -0.201 56.145 56.400 -0.090 0.000 1.047 369 E CB 1.087 30.727 29.700 -0.100 0.000 1.039 369 E HN 0.193 nan 8.360 nan 0.000 0.475 370 V N 0.994 120.832 119.914 -0.127 0.000 2.295 370 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 370 V C 2.169 178.082 176.094 -0.301 0.000 1.049 370 V CA 1.609 63.810 62.300 -0.166 0.000 1.024 370 V CB -0.279 31.461 31.823 -0.138 0.000 0.648 370 V HN 0.355 nan 8.190 nan 0.000 0.447 371 I N -0.466 119.868 120.570 -0.394 0.000 2.233 371 I HA -0.223 3.947 4.170 -0.000 0.000 0.243 371 I C 2.447 178.404 176.117 -0.267 0.000 1.093 371 I CA 1.523 62.459 61.300 -0.607 0.000 1.380 371 I CB -0.342 37.377 38.000 -0.468 0.000 1.067 371 I HN 0.287 nan 8.210 nan 0.000 0.413 372 L N 1.019 122.172 121.223 -0.118 0.000 2.013 372 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 372 L C 2.826 179.689 176.870 -0.012 0.000 1.073 372 L CA 1.744 56.576 54.840 -0.014 0.000 0.753 372 L CB -0.260 41.801 42.059 0.004 0.000 0.890 372 L HN 0.141 nan 8.230 nan 0.000 0.432 373 R N -1.247 119.210 120.500 -0.072 0.000 2.115 373 R HA -0.083 4.257 4.340 -0.000 0.000 0.226 373 R C 2.119 178.364 176.300 -0.091 0.000 1.100 373 R CA 1.612 57.677 56.100 -0.059 0.000 0.980 373 R CB -0.494 29.770 30.300 -0.061 0.000 0.875 373 R HN 0.394 nan 8.270 nan 0.000 0.445 374 T N -0.004 114.431 114.554 -0.198 0.000 2.720 374 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 374 T C 1.231 175.748 174.700 -0.306 0.000 1.037 374 T CA 1.366 63.308 62.100 -0.263 0.000 1.144 374 T CB -0.208 68.436 68.868 -0.373 0.000 0.864 374 T HN 0.449 nan 8.240 nan 0.000 0.444 375 W N 1.406 122.708 121.300 0.002 0.000 2.467 375 W HA 0.026 4.686 4.660 -0.000 0.000 0.275 375 W C 2.639 179.124 176.519 -0.056 0.000 1.239 375 W CA -0.020 57.303 57.345 -0.038 0.000 1.266 375 W CB -0.200 29.249 29.460 -0.019 0.000 1.112 375 W HN 0.296 nan 8.180 nan 0.000 0.576 376 Q N -0.014 119.867 119.800 0.135 0.000 2.119 376 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 376 Q C 2.144 178.204 176.000 0.100 0.000 0.972 376 Q CA 1.563 57.431 55.803 0.108 0.000 0.847 376 Q CB -0.452 28.324 28.738 0.064 0.000 0.903 376 Q HN 0.187 nan 8.270 nan 0.000 0.433 377 V N 0.918 120.850 119.914 0.031 0.000 2.261 377 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 377 V C 2.303 178.359 176.094 -0.062 0.000 1.047 377 V CA 1.849 64.169 62.300 0.034 0.000 1.015 377 V CB -1.034 30.838 31.823 0.081 0.000 0.642 377 V HN 0.401 nan 8.190 nan 0.000 0.446 378 A N -0.176 122.430 122.820 -0.356 0.000 1.892 378 A HA -0.356 3.964 4.320 -0.000 0.000 0.218 378 A C 2.111 179.604 177.584 -0.152 0.000 1.188 378 A CA 2.678 54.330 52.037 -0.642 0.000 0.631 378 A CB -0.951 17.567 19.000 -0.803 0.000 0.822 378 A HN 0.823 nan 8.150 nan 0.000 0.447 379 H N -0.685 118.338 119.070 -0.078 0.000 2.293 379 H HA -0.074 4.482 4.556 -0.000 0.000 0.300 379 H C 2.211 177.537 175.328 -0.003 0.000 1.082 379 H CA 1.990 58.029 56.048 -0.016 0.000 1.308 379 H CB -0.057 29.712 29.762 0.010 0.000 1.375 379 H HN 0.243 nan 8.280 nan 0.000 0.495 380 R N -0.273 120.187 120.500 -0.067 0.000 2.120 380 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 380 R C 2.172 178.424 176.300 -0.080 0.000 1.123 380 R CA 1.144 57.185 56.100 -0.099 0.000 0.975 380 R CB -0.268 30.061 30.300 0.048 0.000 0.866 380 R HN 0.476 nan 8.270 nan 0.000 0.446 381 M N 0.282 119.861 119.600 -0.036 0.000 2.236 381 M HA -0.074 4.406 4.480 -0.000 0.000 0.266 381 M C 2.110 178.403 176.300 -0.012 0.000 1.070 381 M CA 1.191 56.498 55.300 0.011 0.000 1.137 381 M CB -0.651 32.000 32.600 0.085 0.000 1.378 381 M HN 0.040 nan 8.290 nan 0.000 0.426 382 K N 0.420 120.790 120.400 -0.051 0.000 2.026 382 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 382 K C 1.847 178.410 176.600 -0.063 0.000 1.048 382 K CA 1.292 57.559 56.287 -0.034 0.000 0.929 382 K CB 0.013 32.496 32.500 -0.028 0.000 0.713 382 K HN 0.071 nan 8.250 nan 0.000 0.439 383 V N 1.676 121.497 119.914 -0.154 0.000 2.332 383 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 383 V C 2.325 178.378 176.094 -0.067 0.000 1.055 383 V CA 2.029 64.242 62.300 -0.144 0.000 1.038 383 V CB -0.435 31.229 31.823 -0.265 0.000 0.651 383 V HN 0.458 nan 8.190 nan 0.000 0.450 384 Q N -0.712 119.058 119.800 -0.050 0.000 2.204 384 Q HA 0.026 4.365 4.340 -0.000 0.000 0.198 384 Q C 2.061 178.064 176.000 0.004 0.000 0.946 384 Q CA 0.828 56.623 55.803 -0.013 0.000 0.859 384 Q CB 0.083 28.823 28.738 0.003 0.000 0.946 384 Q HN 0.604 nan 8.270 nan 0.000 0.474 385 R N -0.280 120.227 120.500 0.012 0.000 2.476 385 R HA 0.293 4.633 4.340 -0.000 0.000 0.276 385 R C 0.697 177.014 176.300 0.028 0.000 0.941 385 R CA 0.389 56.504 56.100 0.026 0.000 1.088 385 R CB 1.134 31.460 30.300 0.042 0.000 1.216 385 R HN 0.178 nan 8.270 nan 0.000 0.533 386 G N 1.813 110.625 108.800 0.020 0.000 2.598 386 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 386 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 386 G C -0.187 174.740 174.900 0.045 0.000 1.302 386 G CA -0.372 44.743 45.100 0.025 0.000 0.903 386 G HN 0.441 nan 8.290 nan 0.000 0.575 387 A N -0.596 122.252 122.820 0.047 0.000 2.445 387 A HA 0.617 4.936 4.320 -0.000 0.000 0.242 387 A C 0.892 178.523 177.584 0.077 0.000 1.075 387 A CA 0.260 52.336 52.037 0.065 0.000 0.777 387 A CB 0.089 19.119 19.000 0.050 0.000 1.013 387 A HN 1.201 nan 8.150 nan 0.000 0.493 388 L N 1.277 122.569 121.223 0.115 0.000 2.439 388 L HA 0.306 4.646 4.340 -0.000 0.000 0.261 388 L C 1.810 178.717 176.870 0.062 0.000 1.153 388 L CA -0.042 54.873 54.840 0.125 0.000 0.808 388 L CB 0.772 42.973 42.059 0.236 0.000 1.126 388 L HN 0.883 nan 8.230 nan 0.000 0.460 389 A N 1.056 123.896 122.820 0.033 0.000 2.070 389 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 389 A C 1.790 179.324 177.584 -0.083 0.000 1.159 389 A CA 1.411 53.439 52.037 -0.015 0.000 0.656 389 A CB -0.397 18.595 19.000 -0.014 0.000 0.800 389 A HN 0.871 nan 8.150 nan 0.000 0.453 390 E N 0.381 120.483 120.200 -0.163 0.000 2.478 390 E HA 0.049 4.398 4.350 -0.000 0.000 0.194 390 E C 0.221 176.644 176.600 -0.295 0.000 1.045 390 E CA -0.047 56.099 56.400 -0.424 0.000 0.868 390 E CB 0.128 29.118 29.700 -1.182 0.000 0.885 390 E HN 0.444 nan 8.360 nan 0.000 0.505 391 E N 0.692 120.854 120.200 -0.063 0.000 2.415 391 E HA 0.079 4.429 4.350 -0.000 0.000 0.262 391 E C -0.262 176.337 176.600 -0.002 0.000 1.038 391 E CA 0.466 56.888 56.400 0.035 0.000 0.921 391 E CB 1.231 30.981 29.700 0.083 0.000 0.950 391 E HN -0.100 nan 8.360 nan 0.000 0.438 392 T N 0.731 115.299 114.554 0.024 0.000 2.916 392 T HA 0.576 4.926 4.350 -0.000 0.000 0.298 392 T C -0.302 174.413 174.700 0.026 0.000 1.031 392 T CA 0.444 62.551 62.100 0.012 0.000 0.993 392 T CB 0.958 69.830 68.868 0.006 0.000 1.045 392 T HN 0.710 nan 8.240 nan 0.000 0.454 393 G N 3.180 111.988 108.800 0.014 0.000 2.829 393 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.628 393 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.628 393 G C -0.447 174.457 174.900 0.007 0.000 1.412 393 G CA -0.304 44.802 45.100 0.010 0.000 0.864 393 G HN 0.743 nan 8.290 nan 0.000 0.544 394 D N 1.899 122.294 120.400 -0.009 0.000 2.896 394 D HA 0.210 4.850 4.640 -0.000 0.000 0.240 394 D C 0.742 177.029 176.300 -0.022 0.000 1.193 394 D CA 0.403 54.387 54.000 -0.027 0.000 0.983 394 D CB -0.791 39.973 40.800 -0.060 0.000 1.074 394 D HN 0.613 nan 8.370 nan 0.000 0.496 395 N N -0.966 117.747 118.700 0.022 0.000 3.039 395 N HA 0.198 4.938 4.740 -0.000 0.000 0.257 395 N C -0.728 174.835 175.510 0.088 0.000 1.497 395 N CA -0.639 52.447 53.050 0.060 0.000 0.861 395 N CB 1.252 39.777 38.487 0.064 0.000 1.479 395 N HN -0.185 nan 8.380 nan 0.000 0.547 396 D N -0.438 120.027 120.400 0.110 0.000 2.501 396 D HA 0.116 4.756 4.640 -0.000 0.000 0.226 396 D C 0.194 176.552 176.300 0.098 0.000 1.198 396 D CA -0.205 53.862 54.000 0.111 0.000 0.830 396 D CB 0.080 40.945 40.800 0.110 0.000 1.014 396 D HN 0.363 nan 8.370 nan 0.000 0.496 397 N N 0.963 119.716 118.700 0.088 0.000 2.060 397 N HA -0.207 4.533 4.740 -0.000 0.000 0.195 397 N C 1.415 176.969 175.510 0.073 0.000 1.028 397 N CA 0.859 53.948 53.050 0.065 0.000 0.861 397 N CB -0.483 38.046 38.487 0.069 0.000 1.029 397 N HN 0.242 nan 8.380 nan 0.000 0.428 398 F N 1.630 121.588 119.950 0.014 0.000 2.134 398 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 398 F C 2.474 178.294 175.800 0.033 0.000 1.097 398 F CA 1.220 59.208 58.000 -0.020 0.000 1.264 398 F CB -0.169 38.817 39.000 -0.024 0.000 1.001 398 F HN -0.056 nan 8.300 nan 0.000 0.479 399 R N -0.225 120.309 120.500 0.058 0.000 2.115 399 R HA -0.108 4.232 4.340 -0.000 0.000 0.230 399 R C 1.995 178.404 176.300 0.182 0.000 1.111 399 R CA 1.585 57.758 56.100 0.121 0.000 0.976 399 R CB -0.442 29.970 30.300 0.186 0.000 0.870 399 R HN 0.282 nan 8.270 nan 0.000 0.445 400 V N 1.204 121.205 119.914 0.144 0.000 2.358 400 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 400 V C 2.052 178.284 176.094 0.230 0.000 1.047 400 V CA 1.874 64.349 62.300 0.293 0.000 1.035 400 V CB -0.321 31.552 31.823 0.084 0.000 0.658 400 V HN 0.354 nan 8.190 nan 0.000 0.452 401 K N -0.036 120.343 120.400 -0.035 0.000 2.097 401 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 401 K C 2.347 178.887 176.600 -0.100 0.000 1.050 401 K CA 1.439 57.671 56.287 -0.092 0.000 0.938 401 K CB -0.240 32.098 32.500 -0.271 0.000 0.718 401 K HN 0.349 nan 8.250 nan 0.000 0.442 402 R N 0.152 120.447 120.500 -0.343 0.000 2.081 402 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 402 R C 1.702 177.937 176.300 -0.108 0.000 1.131 402 R CA 1.556 57.509 56.100 -0.245 0.000 0.960 402 R CB -0.237 29.842 30.300 -0.368 0.000 0.856 402 R HN 0.182 nan 8.270 nan 0.000 0.436 403 Y N 0.250 120.483 120.300 -0.112 0.000 2.337 403 Y HA -0.026 4.524 4.550 -0.000 0.000 0.293 403 Y C 2.123 177.839 175.900 -0.307 0.000 1.123 403 Y CA 1.019 58.987 58.100 -0.219 0.000 1.201 403 Y CB -0.056 38.171 38.460 -0.389 0.000 1.011 403 Y HN 0.097 nan 8.280 nan 0.000 0.545 404 I N -0.515 120.052 120.570 -0.005 0.000 2.394 404 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 404 I C 2.270 178.175 176.117 -0.355 0.000 1.136 404 I CA 1.096 62.296 61.300 -0.166 0.000 1.425 404 I CB -0.116 38.011 38.000 0.213 0.000 1.079 404 I HN 0.192 nan 8.210 nan 0.000 0.425 405 A N 0.545 123.299 122.820 -0.111 0.000 2.070 405 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 405 A C 2.189 179.698 177.584 -0.124 0.000 1.159 405 A CA 1.376 53.365 52.037 -0.080 0.000 0.656 405 A CB -0.417 18.581 19.000 -0.003 0.000 0.800 405 A HN 0.402 nan 8.150 nan 0.000 0.453 406 K N -1.319 119.004 120.400 -0.128 0.000 2.147 406 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 406 K C 1.092 177.724 176.600 0.053 0.000 1.049 406 K CA 1.751 58.020 56.287 -0.029 0.000 0.936 406 K CB -0.245 32.254 32.500 -0.003 0.000 0.722 406 K HN 0.911 nan 8.250 nan 0.000 0.446 407 Y N -1.434 118.868 120.300 0.004 0.000 2.660 407 Y HA 0.293 4.843 4.550 -0.000 0.000 0.254 407 Y C 0.962 176.905 175.900 0.071 0.000 1.176 407 Y CA -0.292 57.825 58.100 0.029 0.000 1.195 407 Y CB -0.238 38.227 38.460 0.009 0.000 1.190 407 Y HN -0.077 nan 8.280 nan 0.000 0.535 408 T N -2.865 111.628 114.554 -0.101 0.000 3.216 408 T HA 0.126 4.476 4.350 -0.000 0.000 0.167 408 T C 1.276 175.992 174.700 0.026 0.000 0.905 408 T CA 0.558 62.651 62.100 -0.012 0.000 1.042 408 T CB -0.742 68.093 68.868 -0.056 0.000 1.787 408 T HN 0.096 nan 8.240 nan 0.000 0.355 409 I N 3.072 123.652 120.570 0.016 0.000 2.226 409 I HA -0.082 4.088 4.170 -0.000 0.000 0.245 409 I C 1.958 178.045 176.117 -0.049 0.000 1.100 409 I CA 1.503 62.799 61.300 -0.007 0.000 1.374 409 I CB -0.773 37.171 38.000 -0.092 0.000 1.057 409 I HN 0.275 nan 8.210 nan 0.000 0.413 410 N N 0.686 119.345 118.700 -0.069 0.000 2.120 410 N HA -0.112 4.628 4.740 -0.000 0.000 0.188 410 N C -0.749 174.733 175.510 -0.047 0.000 1.024 410 N CA 1.806 54.813 53.050 -0.071 0.000 0.852 410 N CB -1.882 36.562 38.487 -0.072 0.000 1.003 410 N HN 0.333 nan 8.380 nan 0.000 0.424 411 P HA 0.002 nan 4.420 nan 0.000 0.218 411 P C 1.008 178.328 177.300 0.035 0.000 1.149 411 P CA 1.307 64.422 63.100 0.025 0.000 0.817 411 P CB -0.016 31.723 31.700 0.064 0.000 0.785 412 A N -0.853 121.975 122.820 0.014 0.000 1.930 412 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 412 A C 2.160 179.744 177.584 0.000 0.000 1.175 412 A CA 1.253 53.290 52.037 0.001 0.000 0.627 412 A CB -1.544 17.464 19.000 0.014 0.000 0.815 412 A HN 0.112 nan 8.150 nan 0.000 0.443 413 L N -0.999 120.214 121.223 -0.016 0.000 2.044 413 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 413 L C 2.767 179.604 176.870 -0.055 0.000 1.075 413 L CA 1.673 56.495 54.840 -0.030 0.000 0.747 413 L CB -0.791 41.235 42.059 -0.056 0.000 0.903 413 L HN 0.315 nan 8.230 nan 0.000 0.435 414 T N -1.934 112.570 114.554 -0.083 0.000 2.759 414 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 414 T C 1.446 175.996 174.700 -0.250 0.000 1.042 414 T CA 1.232 63.227 62.100 -0.174 0.000 1.140 414 T CB -0.250 68.476 68.868 -0.236 0.000 0.864 414 T HN 0.368 nan 8.240 nan 0.000 0.455 415 H N -0.474 118.549 119.070 -0.079 0.000 2.520 415 H HA 0.345 4.901 4.556 -0.000 0.000 0.284 415 H C 1.588 176.875 175.328 -0.068 0.000 1.037 415 H CA 0.328 56.336 56.048 -0.067 0.000 1.168 415 H CB 0.231 29.951 29.762 -0.070 0.000 1.497 415 H HN 0.489 nan 8.280 nan 0.000 0.547 416 G N 2.419 111.228 108.800 0.014 0.000 2.246 416 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.273 416 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.273 416 G C 0.804 175.777 174.900 0.121 0.000 1.055 416 G CA 0.708 45.840 45.100 0.053 0.000 0.851 416 G HN 0.635 nan 8.290 nan 0.000 0.500 417 I N -4.214 116.371 120.570 0.025 0.000 4.225 417 I HA 0.658 4.828 4.170 -0.000 0.000 0.327 417 I C 1.771 177.844 176.117 -0.074 0.000 1.422 417 I CA 0.351 61.583 61.300 -0.113 0.000 1.150 417 I CB 0.314 37.987 38.000 -0.545 0.000 1.192 417 I HN 0.137 nan 8.210 nan 0.000 0.440 418 A N 1.806 124.663 122.820 0.062 0.000 2.178 418 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 418 A C 1.984 179.633 177.584 0.109 0.000 1.157 418 A CA 1.824 53.903 52.037 0.069 0.000 0.689 418 A CB -1.290 17.750 19.000 0.067 0.000 0.787 418 A HN 0.860 nan 8.150 nan 0.000 0.465 419 H N -3.019 116.089 119.070 0.064 0.000 2.535 419 H HA 0.223 4.779 4.556 -0.000 0.000 0.273 419 H C 1.495 176.882 175.328 0.098 0.000 0.983 419 H CA 0.888 56.978 56.048 0.071 0.000 1.238 419 H CB 0.206 30.005 29.762 0.061 0.000 1.412 419 H HN 0.376 nan 8.280 nan 0.000 0.562 420 E N 1.017 121.051 120.200 -0.276 0.000 2.228 420 E HA 0.128 4.478 4.350 -0.000 0.000 0.197 420 E C 0.921 177.541 176.600 0.032 0.000 0.909 420 E CA 0.965 57.296 56.400 -0.114 0.000 0.911 420 E CB 0.984 30.629 29.700 -0.092 0.000 0.887 420 E HN 0.396 nan 8.360 nan 0.000 0.481 421 V N -4.811 115.136 119.914 0.054 0.000 3.087 421 V HA 0.849 4.969 4.120 -0.000 0.000 0.311 421 V C 0.900 177.053 176.094 0.099 0.000 1.333 421 V CA -0.180 62.181 62.300 0.102 0.000 1.054 421 V CB 1.117 33.030 31.823 0.149 0.000 1.123 421 V HN 0.303 nan 8.190 nan 0.000 0.473 422 G N -0.075 108.798 108.800 0.122 0.000 2.259 422 G HA2 0.051 4.011 3.960 -0.000 0.000 0.217 422 G HA3 0.051 4.011 3.960 -0.000 0.000 0.217 422 G C 0.280 175.285 174.900 0.175 0.000 1.001 422 G CA 0.679 45.854 45.100 0.125 0.000 0.627 422 G HN 2.428 nan 8.290 nan 0.000 0.501 423 S N -1.066 114.757 115.700 0.205 0.000 2.611 423 S HA 0.666 5.136 4.470 -0.000 0.000 0.268 423 S C -0.643 174.113 174.600 0.259 0.000 1.156 423 S CA -0.693 57.671 58.200 0.273 0.000 0.817 423 S CB 1.280 64.727 63.200 0.411 0.000 1.122 423 S HN 0.761 nan 8.310 nan 0.000 0.466 424 I N 1.601 122.367 120.570 0.327 0.000 2.243 424 I HA 0.339 4.509 4.170 -0.000 0.000 0.297 424 I C 0.012 176.308 176.117 0.300 0.000 1.161 424 I CA 0.258 61.747 61.300 0.315 0.000 1.298 424 I CB -0.403 37.809 38.000 0.353 0.000 1.475 424 I HN 0.569 nan 8.210 nan 0.000 0.561 425 E N 3.851 124.144 120.200 0.155 0.000 2.317 425 E HA 0.371 4.721 4.350 -0.000 0.000 0.270 425 E C -0.640 175.968 176.600 0.014 0.000 0.885 425 E CA -1.005 55.407 56.400 0.020 0.000 0.760 425 E CB 3.183 32.891 29.700 0.014 0.000 1.227 425 E HN 0.292 nan 8.360 nan 0.000 0.434 426 V N 0.011 119.896 119.914 -0.048 0.000 2.901 426 V HA 0.394 4.513 4.120 -0.000 0.000 0.307 426 V C 1.069 177.155 176.094 -0.014 0.000 1.084 426 V CA 0.941 63.214 62.300 -0.045 0.000 1.184 426 V CB 0.245 31.994 31.823 -0.123 0.000 0.941 426 V HN 1.022 nan 8.190 nan 0.000 0.493 427 G N 2.680 111.485 108.800 0.010 0.000 2.225 427 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 427 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 427 G C 0.324 175.256 174.900 0.054 0.000 0.988 427 G CA 0.479 45.598 45.100 0.031 0.000 0.625 427 G HN 0.912 nan 8.290 nan 0.000 0.527 428 K N -0.046 120.392 120.400 0.062 0.000 2.098 428 K HA 0.588 4.908 4.320 -0.000 0.000 0.257 428 K C 0.294 176.940 176.600 0.077 0.000 0.999 428 K CA -0.950 55.381 56.287 0.074 0.000 0.924 428 K CB 1.412 33.966 32.500 0.090 0.000 1.028 428 K HN 0.141 nan 8.250 nan 0.000 0.466 429 L N 1.855 123.121 121.223 0.072 0.000 2.490 429 L HA 0.002 4.342 4.340 -0.000 0.000 0.274 429 L C -0.092 176.829 176.870 0.085 0.000 1.201 429 L CA 0.710 55.590 54.840 0.068 0.000 0.869 429 L CB 0.465 42.558 42.059 0.057 0.000 1.123 429 L HN 0.741 nan 8.230 nan 0.000 0.484 430 A N 3.958 126.827 122.820 0.082 0.000 3.026 430 A HA 0.175 4.495 4.320 -0.000 0.000 0.272 430 A C -0.394 177.241 177.584 0.084 0.000 1.782 430 A CA -0.363 51.727 52.037 0.089 0.000 1.451 430 A CB -1.167 17.884 19.000 0.084 0.000 1.081 430 A HN 0.690 nan 8.150 nan 0.000 0.611 431 D N 1.611 122.068 120.400 0.095 0.000 2.443 431 D HA 0.530 5.170 4.640 -0.000 0.000 0.221 431 D C -0.295 176.065 176.300 0.100 0.000 1.097 431 D CA 0.422 54.478 54.000 0.092 0.000 0.865 431 D CB 0.875 41.740 40.800 0.108 0.000 1.034 431 D HN 0.409 nan 8.370 nan 0.000 0.511 432 L N 0.963 122.231 121.223 0.074 0.000 2.354 432 L HA 0.676 5.016 4.340 -0.000 0.000 0.264 432 L C -0.520 176.352 176.870 0.003 0.000 1.008 432 L CA -1.226 53.657 54.840 0.071 0.000 0.819 432 L CB 2.382 44.487 42.059 0.077 0.000 1.339 432 L HN -0.104 nan 8.230 nan 0.000 0.420 433 V N 1.854 121.750 119.914 -0.029 0.000 2.577 433 V HA 0.445 4.565 4.120 -0.000 0.000 0.303 433 V C -0.336 175.558 176.094 -0.334 0.000 1.042 433 V CA -0.689 61.448 62.300 -0.271 0.000 0.872 433 V CB 2.229 33.789 31.823 -0.438 0.000 0.998 433 V HN 0.415 nan 8.190 nan 0.000 0.423 434 V N 3.651 123.350 119.914 -0.357 0.000 2.427 434 V HA 0.545 4.665 4.120 -0.000 0.000 0.286 434 V C -0.875 175.081 176.094 -0.231 0.000 1.034 434 V CA -0.508 61.694 62.300 -0.162 0.000 0.893 434 V CB 1.403 33.196 31.823 -0.051 0.000 0.982 434 V HN 0.920 nan 8.190 nan 0.000 0.452 435 W N 1.684 123.056 121.300 0.120 0.000 2.844 435 W HA 0.635 5.295 4.660 -0.000 0.000 0.340 435 W C 0.179 176.786 176.519 0.148 0.000 1.093 435 W CA -0.646 56.783 57.345 0.139 0.000 1.212 435 W CB 1.806 31.397 29.460 0.218 0.000 1.422 435 W HN 0.461 nan 8.180 nan 0.000 0.515 436 S N 2.202 118.153 115.700 0.418 0.000 2.537 436 S HA 0.296 4.766 4.470 -0.000 0.000 0.275 436 S C -1.509 173.286 174.600 0.325 0.000 1.272 436 S CA -1.290 57.098 58.200 0.314 0.000 1.050 436 S CB 1.068 64.458 63.200 0.317 0.000 0.961 436 S HN 0.220 nan 8.310 nan 0.000 0.496 437 P HA -0.108 nan 4.420 nan 0.000 0.217 437 P C 1.000 178.316 177.300 0.028 0.000 1.148 437 P CA 1.481 64.618 63.100 0.062 0.000 0.834 437 P CB 0.068 31.759 31.700 -0.014 0.000 0.783 438 A N -2.615 120.251 122.820 0.076 0.000 2.167 438 A HA -0.012 4.308 4.320 -0.000 0.000 0.214 438 A C 1.165 178.614 177.584 -0.226 0.000 1.151 438 A CA 0.961 52.950 52.037 -0.079 0.000 0.735 438 A CB -1.091 17.839 19.000 -0.116 0.000 0.802 438 A HN 0.167 nan 8.150 nan 0.000 0.467 439 F N -2.345 117.658 119.950 0.088 0.000 2.735 439 F HA 0.327 4.854 4.527 -0.000 0.000 0.308 439 F C 0.210 175.975 175.800 -0.058 0.000 1.112 439 F CA -1.249 56.744 58.000 -0.013 0.000 1.235 439 F CB 0.087 39.147 39.000 0.100 0.000 1.027 439 F HN 0.157 nan 8.300 nan 0.000 0.528 440 F N 1.371 121.239 119.950 -0.137 0.000 2.623 440 F HA 0.353 4.880 4.527 -0.000 0.000 0.383 440 F C 1.408 176.783 175.800 -0.709 0.000 1.077 440 F CA 1.197 58.888 58.000 -0.515 0.000 1.268 440 F CB 0.545 39.181 39.000 -0.606 0.000 1.053 440 F HN 0.330 nan 8.300 nan 0.000 0.571 441 G N 3.334 110.934 108.800 -2.001 0.000 2.220 441 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.269 441 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.269 441 G C 0.576 175.253 174.900 -0.372 0.000 0.977 441 G CA 0.571 44.961 45.100 -1.184 0.000 0.634 441 G HN 0.763 nan 8.290 nan 0.000 0.539 442 V N -0.713 119.075 119.914 -0.209 0.000 2.721 442 V HA 0.376 4.495 4.120 -0.000 0.000 0.236 442 V C 1.002 177.189 176.094 0.154 0.000 1.116 442 V CA 1.815 64.084 62.300 -0.051 0.000 1.148 442 V CB 0.307 31.869 31.823 -0.434 0.000 0.886 442 V HN 0.284 nan 8.190 nan 0.000 0.490 443 K N 1.067 121.628 120.400 0.268 0.000 2.613 443 K HA 0.450 4.770 4.320 -0.000 0.000 0.248 443 K C -2.957 173.851 176.600 0.346 0.000 0.959 443 K CA -1.613 54.839 56.287 0.275 0.000 0.855 443 K CB 2.631 35.251 32.500 0.200 0.000 1.143 443 K HN 0.143 nan 8.250 nan 0.000 0.437 444 P HA 0.080 nan 4.420 nan 0.000 0.275 444 P C -0.065 177.232 177.300 -0.005 0.000 1.228 444 P CA -0.101 62.923 63.100 -0.125 0.000 0.786 444 P CB 1.270 32.670 31.700 -0.499 0.000 0.927 445 A N 2.401 125.170 122.820 -0.085 0.000 1.898 445 A HA 0.102 4.422 4.320 -0.000 0.000 0.214 445 A C 0.578 178.098 177.584 -0.107 0.000 1.183 445 A CA 1.563 53.548 52.037 -0.087 0.000 0.622 445 A CB -0.490 18.489 19.000 -0.035 0.000 0.824 445 A HN 0.554 nan 8.150 nan 0.000 0.444 446 T N -1.040 113.433 114.554 -0.134 0.000 2.956 446 T HA 0.523 4.873 4.350 -0.000 0.000 0.312 446 T C -1.323 173.291 174.700 -0.144 0.000 1.151 446 T CA -0.392 61.645 62.100 -0.104 0.000 1.024 446 T CB 2.039 70.864 68.868 -0.072 0.000 1.140 446 T HN 0.025 nan 8.240 nan 0.000 0.473 447 V N 3.626 123.490 119.914 -0.083 0.000 2.380 447 V HA 0.456 4.576 4.120 -0.000 0.000 0.286 447 V C -0.384 175.692 176.094 -0.029 0.000 1.015 447 V CA -0.707 61.543 62.300 -0.083 0.000 0.834 447 V CB 0.911 32.695 31.823 -0.064 0.000 1.009 447 V HN 0.782 nan 8.190 nan 0.000 0.428 448 I N 4.718 125.276 120.570 -0.020 0.000 2.342 448 I HA 0.446 4.616 4.170 -0.000 0.000 0.291 448 I C 0.258 176.394 176.117 0.031 0.000 1.010 448 I CA -0.291 61.016 61.300 0.012 0.000 1.308 448 I CB 1.084 39.095 38.000 0.018 0.000 1.400 448 I HN 0.372 nan 8.210 nan 0.000 0.488 449 K N 4.361 124.785 120.400 0.040 0.000 2.413 449 K HA 0.339 4.659 4.320 -0.000 0.000 0.257 449 K C 0.429 177.062 176.600 0.055 0.000 0.946 449 K CA -0.333 55.984 56.287 0.050 0.000 0.823 449 K CB 1.854 34.383 32.500 0.048 0.000 1.109 449 K HN 0.898 nan 8.250 nan 0.000 0.427 450 G N 2.028 110.862 108.800 0.058 0.000 2.258 450 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.274 450 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.274 450 G C 0.711 175.654 174.900 0.071 0.000 1.021 450 G CA 1.011 46.147 45.100 0.059 0.000 0.798 450 G HN 1.106 nan 8.290 nan 0.000 0.507 451 G N -2.231 106.607 108.800 0.063 0.000 2.176 451 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.232 451 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.232 451 G C 0.193 175.119 174.900 0.044 0.000 0.986 451 G CA 0.805 45.938 45.100 0.056 0.000 0.643 451 G HN 1.087 nan 8.290 nan 0.000 0.522 452 M N 0.298 119.928 119.600 0.050 0.000 2.530 452 M HA 0.549 5.029 4.480 -0.000 0.000 0.307 452 M C 0.086 176.414 176.300 0.047 0.000 1.161 452 M CA -0.903 54.426 55.300 0.047 0.000 0.903 452 M CB 2.342 34.979 32.600 0.062 0.000 1.711 452 M HN 0.047 nan 8.290 nan 0.000 0.451 453 I N 1.759 122.358 120.570 0.048 0.000 2.517 453 I HA 0.066 4.236 4.170 -0.000 0.000 0.285 453 I C 0.885 177.028 176.117 0.044 0.000 1.106 453 I CA 0.136 61.459 61.300 0.037 0.000 1.402 453 I CB 1.090 39.110 38.000 0.033 0.000 1.399 453 I HN 0.895 nan 8.210 nan 0.000 0.535 454 A N 7.256 130.092 122.820 0.027 0.000 2.035 454 A HA 0.406 4.726 4.320 -0.000 0.000 0.208 454 A C 0.689 178.278 177.584 0.008 0.000 1.206 454 A CA 0.600 52.649 52.037 0.021 0.000 0.773 454 A CB 0.429 19.445 19.000 0.026 0.000 0.878 454 A HN 0.643 nan 8.150 nan 0.000 0.469 455 I N -1.766 118.814 120.570 0.018 0.000 2.841 455 I HA 0.599 4.769 4.170 -0.000 0.000 0.298 455 I C -1.375 174.776 176.117 0.057 0.000 1.304 455 I CA -0.564 60.762 61.300 0.044 0.000 1.019 455 I CB 2.219 40.268 38.000 0.081 0.000 1.282 455 I HN 0.252 nan 8.210 nan 0.000 0.432 456 A N 6.052 128.890 122.820 0.031 0.000 2.601 456 A HA 0.839 5.159 4.320 -0.000 0.000 0.291 456 A C -3.090 174.304 177.584 -0.317 0.000 1.075 456 A CA -1.212 50.777 52.037 -0.080 0.000 0.671 456 A CB 1.797 20.738 19.000 -0.097 0.000 1.277 456 A HN 0.307 nan 8.150 nan 0.000 0.417 457 P HA 0.539 nan 4.420 nan 0.000 0.276 457 P C -0.802 176.256 177.300 -0.403 0.000 1.230 457 P CA 0.021 62.664 63.100 -0.760 0.000 0.776 457 P CB 0.711 31.954 31.700 -0.762 0.000 0.888 458 M N 3.053 122.432 119.600 -0.369 0.000 2.386 458 M HA 0.628 5.108 4.480 -0.000 0.000 0.293 458 M C -0.151 175.982 176.300 -0.279 0.000 1.120 458 M CA -0.397 54.737 55.300 -0.277 0.000 0.909 458 M CB 1.655 34.108 32.600 -0.245 0.000 1.661 458 M HN 0.411 nan 8.290 nan 0.000 0.452 459 G N 1.065 109.755 108.800 -0.185 0.000 2.510 459 G HA2 0.249 4.209 3.960 -0.000 0.000 0.280 459 G HA3 0.249 4.209 3.960 -0.000 0.000 0.280 459 G C -0.895 173.939 174.900 -0.110 0.000 1.386 459 G CA -0.585 44.434 45.100 -0.135 0.000 1.047 459 G HN 0.727 nan 8.290 nan 0.000 0.527 460 D N 0.043 120.407 120.400 -0.060 0.000 2.662 460 D HA -0.101 4.539 4.640 -0.000 0.000 0.237 460 D C 1.736 178.011 176.300 -0.042 0.000 1.154 460 D CA -0.227 53.752 54.000 -0.035 0.000 0.861 460 D CB 0.268 41.058 40.800 -0.018 0.000 1.146 460 D HN 0.049 nan 8.370 nan 0.000 0.518 461 I N 3.628 124.174 120.570 -0.040 0.000 2.454 461 I HA -0.211 3.959 4.170 -0.000 0.000 0.254 461 I C 1.822 177.927 176.117 -0.020 0.000 1.156 461 I CA 0.919 62.197 61.300 -0.037 0.000 1.433 461 I CB -1.070 36.909 38.000 -0.034 0.000 1.082 461 I HN 0.419 nan 8.210 nan 0.000 0.432 462 N N 0.900 119.592 118.700 -0.013 0.000 2.280 462 N HA 0.143 4.883 4.740 -0.000 0.000 0.192 462 N C 0.619 176.125 175.510 -0.007 0.000 1.109 462 N CA 0.109 53.155 53.050 -0.007 0.000 0.855 462 N CB 0.286 38.771 38.487 -0.003 0.000 0.974 462 N HN 0.252 nan 8.380 nan 0.000 0.482 463 A N -0.486 122.327 122.820 -0.012 0.000 2.327 463 A HA 0.279 4.599 4.320 -0.000 0.000 0.255 463 A C 1.325 178.904 177.584 -0.010 0.000 1.099 463 A CA 0.179 52.209 52.037 -0.012 0.000 0.801 463 A CB 0.065 19.055 19.000 -0.017 0.000 1.062 463 A HN 0.448 nan 8.150 nan 0.000 0.496 464 S N -0.519 115.176 115.700 -0.008 0.000 2.561 464 S HA 0.228 4.698 4.470 -0.000 0.000 0.225 464 S C 0.475 175.071 174.600 -0.007 0.000 0.977 464 S CA 0.835 59.031 58.200 -0.006 0.000 0.926 464 S CB -1.030 62.167 63.200 -0.005 0.000 0.769 464 S HN 0.835 nan 8.310 nan 0.000 0.533 465 I N -3.466 117.097 120.570 -0.011 0.000 3.093 465 I HA 0.431 4.601 4.170 -0.000 0.000 0.308 465 I C -2.669 173.434 176.117 -0.023 0.000 1.303 465 I CA -2.619 58.674 61.300 -0.013 0.000 0.975 465 I CB 1.750 39.742 38.000 -0.013 0.000 1.286 465 I HN -0.362 nan 8.210 nan 0.000 0.459 466 P HA -0.017 nan 4.420 nan 0.000 0.245 466 P C 0.992 178.255 177.300 -0.062 0.000 1.212 466 P CA 0.865 63.937 63.100 -0.047 0.000 0.774 466 P CB 0.034 31.706 31.700 -0.046 0.000 0.999 467 T N -4.469 110.055 114.554 -0.049 0.000 3.051 467 T HA 0.205 4.555 4.350 -0.000 0.000 0.255 467 T C -1.563 173.109 174.700 -0.047 0.000 1.085 467 T CA -0.409 61.658 62.100 -0.054 0.000 1.109 467 T CB -1.876 66.967 68.868 -0.042 0.000 0.921 467 T HN 0.114 nan 8.240 nan 0.000 0.488 468 P HA 0.197 nan 4.420 nan 0.000 0.269 468 P C 0.113 177.397 177.300 -0.027 0.000 1.209 468 P CA -0.200 62.884 63.100 -0.026 0.000 0.776 468 P CB 0.373 32.062 31.700 -0.019 0.000 0.876 469 Q N 2.808 122.599 119.800 -0.014 0.000 2.454 469 Q HA 0.174 4.514 4.340 -0.000 0.000 0.247 469 Q C -1.887 174.121 176.000 0.013 0.000 1.028 469 Q CA -1.080 54.722 55.803 -0.000 0.000 0.910 469 Q CB -0.554 28.188 28.738 0.007 0.000 1.276 469 Q HN 0.402 nan 8.270 nan 0.000 0.489 470 P HA 0.210 nan 4.420 nan 0.000 0.285 470 P C -0.857 176.486 177.300 0.071 0.000 1.259 470 P CA -0.340 62.808 63.100 0.081 0.000 0.794 470 P CB 0.926 32.708 31.700 0.136 0.000 0.940 471 V N 5.189 125.123 119.914 0.034 0.000 2.347 471 V HA 0.363 4.483 4.120 -0.000 0.000 0.280 471 V C 0.167 176.263 176.094 0.004 0.000 1.021 471 V CA -0.159 62.101 62.300 -0.067 0.000 0.847 471 V CB 0.209 31.963 31.823 -0.114 0.000 0.990 471 V HN 0.860 nan 8.190 nan 0.000 0.444 472 H N 2.078 121.086 119.070 -0.103 0.000 3.008 472 H HA 0.648 5.204 4.556 -0.000 0.000 0.354 472 H C -1.566 173.698 175.328 -0.107 0.000 1.252 472 H CA -1.140 54.879 56.048 -0.048 0.000 1.117 472 H CB 0.801 30.591 29.762 0.047 0.000 1.857 472 H HN 0.361 nan 8.280 nan 0.000 0.547 473 Y N 1.188 121.539 120.300 0.085 0.000 2.544 473 Y HA 0.276 4.826 4.550 -0.000 0.000 0.330 473 Y C 0.586 176.495 175.900 0.014 0.000 1.136 473 Y CA 0.205 58.310 58.100 0.009 0.000 1.417 473 Y CB 0.481 38.956 38.460 0.025 0.000 1.229 473 Y HN 0.373 nan 8.280 nan 0.000 0.532 474 R N 4.278 124.790 120.500 0.019 0.000 2.750 474 R HA 0.461 4.801 4.340 -0.000 0.000 0.281 474 R C -2.936 173.347 176.300 -0.027 0.000 0.972 474 R CA -2.335 53.755 56.100 -0.015 0.000 0.912 474 R CB 1.478 31.702 30.300 -0.127 0.000 1.187 474 R HN 0.325 nan 8.270 nan 0.000 0.464 475 P HA 0.083 nan 4.420 nan 0.000 0.271 475 P C -0.494 176.718 177.300 -0.147 0.000 1.216 475 P CA 0.107 63.170 63.100 -0.061 0.000 0.776 475 P CB 0.651 32.316 31.700 -0.057 0.000 0.881 476 M N 1.394 120.909 119.600 -0.141 0.000 2.861 476 M HA 0.341 4.821 4.480 -0.000 0.000 0.294 476 M C 1.291 177.450 176.300 -0.236 0.000 1.185 476 M CA -0.755 54.401 55.300 -0.240 0.000 0.809 476 M CB -0.273 32.274 32.600 -0.089 0.000 1.722 476 M HN 0.203 nan 8.290 nan 0.000 0.496 477 F N 0.868 120.802 119.950 -0.027 0.000 2.154 477 F HA -0.104 4.423 4.527 -0.000 0.000 0.301 477 F C 2.276 178.059 175.800 -0.029 0.000 1.087 477 F CA 1.813 59.794 58.000 -0.031 0.000 1.274 477 F CB -1.233 37.747 39.000 -0.033 0.000 1.009 477 F HN 0.768 nan 8.300 nan 0.000 0.485 478 G N -0.802 108.079 108.800 0.136 0.000 2.535 478 G HA2 0.013 3.973 3.960 -0.000 0.000 0.218 478 G HA3 0.013 3.973 3.960 -0.000 0.000 0.218 478 G C 1.483 176.402 174.900 0.032 0.000 1.122 478 G CA 0.631 45.778 45.100 0.078 0.000 0.769 478 G HN 0.461 nan 8.290 nan 0.000 0.549 479 A N -0.324 122.498 122.820 0.004 0.000 2.430 479 A HA 0.613 4.933 4.320 -0.000 0.000 0.243 479 A C 0.550 178.105 177.584 -0.049 0.000 1.254 479 A CA -0.343 51.680 52.037 -0.023 0.000 0.914 479 A CB 0.165 19.149 19.000 -0.026 0.000 0.998 479 A HN 0.243 nan 8.150 nan 0.000 0.515 480 L N -0.374 120.825 121.223 -0.040 0.000 2.309 480 L HA 0.487 4.827 4.340 -0.000 0.000 0.282 480 L C 1.671 178.481 176.870 -0.101 0.000 1.036 480 L CA -0.259 54.549 54.840 -0.053 0.000 0.806 480 L CB 1.191 43.249 42.059 -0.002 0.000 1.220 480 L HN 0.505 nan 8.230 nan 0.000 0.429 481 G N 2.164 110.881 108.800 -0.138 0.000 2.808 481 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.470 481 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.470 481 G C 1.136 175.785 174.900 -0.418 0.000 1.041 481 G CA 1.071 46.037 45.100 -0.224 0.000 0.839 481 G HN 0.647 nan 8.290 nan 0.000 0.825 482 S N 0.719 116.307 115.700 -0.186 0.000 2.423 482 S HA 0.098 4.568 4.470 -0.000 0.000 0.231 482 S C 2.693 177.286 174.600 -0.011 0.000 1.014 482 S CA 1.696 59.865 58.200 -0.052 0.000 0.965 482 S CB -0.436 62.805 63.200 0.069 0.000 0.785 482 S HN 1.097 nan 8.310 nan 0.000 0.495 483 A N 1.947 124.749 122.820 -0.030 0.000 1.898 483 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 483 A C 2.088 179.695 177.584 0.039 0.000 1.181 483 A CA 1.203 53.254 52.037 0.023 0.000 0.620 483 A CB -0.487 18.533 19.000 0.034 0.000 0.819 483 A HN 0.403 nan 8.150 nan 0.000 0.442 484 R N -0.767 119.700 120.500 -0.055 0.000 2.081 484 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 484 R C 1.954 178.266 176.300 0.020 0.000 1.131 484 R CA 1.979 58.050 56.100 -0.049 0.000 0.960 484 R CB -0.547 29.674 30.300 -0.130 0.000 0.856 484 R HN 0.792 nan 8.270 nan 0.000 0.436 485 H N -2.052 117.042 119.070 0.039 0.000 2.352 485 H HA -0.182 4.374 4.556 -0.000 0.000 0.299 485 H C 1.973 177.311 175.328 0.017 0.000 1.097 485 H CA 1.689 57.746 56.048 0.016 0.000 1.311 485 H CB -0.142 29.631 29.762 0.019 0.000 1.377 485 H HN 0.425 nan 8.280 nan 0.000 0.504 486 H N -0.781 118.354 119.070 0.107 0.000 2.524 486 H HA 0.003 4.559 4.556 -0.000 0.000 0.282 486 H C 1.050 176.394 175.328 0.028 0.000 1.016 486 H CA 0.952 57.031 56.048 0.052 0.000 1.270 486 H CB 0.202 29.985 29.762 0.036 0.000 1.394 486 H HN 0.309 nan 8.280 nan 0.000 0.568 487 C N 1.211 120.570 119.300 0.098 0.000 3.104 487 C HA 0.291 4.751 4.460 -0.000 0.000 0.284 487 C C 0.527 175.527 174.990 0.016 0.000 1.326 487 C CA -0.419 58.635 59.018 0.060 0.000 1.725 487 C CB -1.102 26.692 27.740 0.089 0.000 2.156 487 C HN 0.521 nan 8.230 nan 0.000 0.638 488 R N 0.162 120.659 120.500 -0.006 0.000 2.854 488 R HA 0.835 5.175 4.340 -0.000 0.000 0.271 488 R C -1.542 174.694 176.300 -0.107 0.000 0.994 488 R CA -0.654 55.430 56.100 -0.028 0.000 0.945 488 R CB 0.999 31.304 30.300 0.009 0.000 1.194 488 R HN 0.091 nan 8.270 nan 0.000 0.476 489 L N 0.940 122.052 121.223 -0.185 0.000 2.346 489 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 489 L C -0.575 176.030 176.870 -0.442 0.000 1.007 489 L CA -0.927 53.682 54.840 -0.386 0.000 0.818 489 L CB 2.632 44.290 42.059 -0.669 0.000 1.284 489 L HN 0.736 nan 8.230 nan 0.000 0.424 490 T N 2.352 116.675 114.554 -0.386 0.000 2.772 490 T HA 0.496 4.846 4.350 -0.000 0.000 0.288 490 T C -0.500 174.036 174.700 -0.274 0.000 0.994 490 T CA -0.288 61.669 62.100 -0.239 0.000 0.951 490 T CB 0.236 69.029 68.868 -0.125 0.000 0.933 490 T HN 0.077 nan 8.240 nan 0.000 0.447 491 F N 3.578 123.543 119.950 0.026 0.000 2.438 491 F HA 0.475 5.002 4.527 -0.000 0.000 0.356 491 F C 0.475 176.299 175.800 0.040 0.000 1.099 491 F CA -0.774 57.250 58.000 0.040 0.000 1.185 491 F CB 0.428 39.463 39.000 0.058 0.000 1.115 491 F HN 0.213 nan 8.300 nan 0.000 0.526 492 L N 2.007 123.353 121.223 0.205 0.000 2.303 492 L HA 0.550 4.890 4.340 -0.000 0.000 0.266 492 L C 0.047 176.996 176.870 0.131 0.000 1.011 492 L CA -1.087 53.829 54.840 0.127 0.000 0.818 492 L CB 2.217 44.316 42.059 0.066 0.000 1.326 492 L HN 0.636 nan 8.230 nan 0.000 0.435 493 S N -0.530 115.224 115.700 0.090 0.000 2.601 493 S HA 0.183 4.653 4.470 -0.000 0.000 0.271 493 S C 0.522 175.156 174.600 0.057 0.000 1.305 493 S CA -0.641 57.603 58.200 0.074 0.000 1.022 493 S CB 1.489 64.721 63.200 0.053 0.000 0.940 493 S HN 0.679 nan 8.310 nan 0.000 0.525 494 Q N 1.233 121.062 119.800 0.048 0.000 2.152 494 Q HA -0.183 4.157 4.340 -0.000 0.000 0.206 494 Q C 2.413 178.427 176.000 0.023 0.000 0.985 494 Q CA 1.782 57.604 55.803 0.033 0.000 0.863 494 Q CB -0.615 28.135 28.738 0.020 0.000 0.904 494 Q HN 0.940 nan 8.270 nan 0.000 0.422 495 A N 0.944 123.776 122.820 0.020 0.000 1.873 495 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 495 A C 2.309 179.901 177.584 0.014 0.000 1.186 495 A CA 1.450 53.495 52.037 0.014 0.000 0.616 495 A CB -0.798 18.209 19.000 0.011 0.000 0.823 495 A HN 0.398 nan 8.150 nan 0.000 0.442 496 A N -0.076 122.755 122.820 0.019 0.000 1.902 496 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 496 A C 2.492 180.083 177.584 0.011 0.000 1.181 496 A CA 2.094 54.139 52.037 0.014 0.000 0.623 496 A CB -0.991 18.021 19.000 0.020 0.000 0.818 496 A HN 1.034 nan 8.150 nan 0.000 0.443 497 A N -0.128 122.703 122.820 0.018 0.000 1.902 497 A HA 0.151 4.471 4.320 -0.000 0.000 0.217 497 A C 2.503 180.091 177.584 0.007 0.000 1.181 497 A CA 2.122 54.167 52.037 0.014 0.000 0.623 497 A CB -1.004 18.011 19.000 0.025 0.000 0.818 497 A HN 1.065 nan 8.150 nan 0.000 0.443 498 A N 0.109 122.934 122.820 0.008 0.000 1.930 498 A HA -0.147 4.172 4.320 -0.000 0.000 0.217 498 A C 1.710 179.295 177.584 0.001 0.000 1.175 498 A CA 1.570 53.609 52.037 0.004 0.000 0.627 498 A CB -0.543 18.459 19.000 0.005 0.000 0.815 498 A HN 0.523 nan 8.150 nan 0.000 0.443 499 N N -0.328 118.372 118.700 0.001 0.000 2.571 499 N HA 0.064 4.804 4.740 -0.000 0.000 0.189 499 N C 1.079 176.586 175.510 -0.006 0.000 1.154 499 N CA 1.048 54.097 53.050 -0.002 0.000 0.907 499 N CB -0.091 38.396 38.487 -0.001 0.000 0.977 499 N HN 0.670 nan 8.380 nan 0.000 0.449 500 G N 0.177 108.973 108.800 -0.007 0.000 2.198 500 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 500 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 500 G C 0.989 175.879 174.900 -0.017 0.000 1.042 500 G CA 0.384 45.477 45.100 -0.012 0.000 0.791 500 G HN 0.210 nan 8.290 nan 0.000 0.502 501 V N 0.051 119.955 119.914 -0.017 0.000 2.332 501 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 501 V C 3.214 179.287 176.094 -0.036 0.000 1.055 501 V CA 3.098 65.384 62.300 -0.024 0.000 1.038 501 V CB -0.923 30.889 31.823 -0.018 0.000 0.651 501 V HN 1.014 nan 8.190 nan 0.000 0.450 502 A N -0.136 122.663 122.820 -0.036 0.000 1.933 502 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 502 A C 2.108 179.661 177.584 -0.052 0.000 1.175 502 A CA 2.018 54.026 52.037 -0.049 0.000 0.628 502 A CB -0.423 18.548 19.000 -0.048 0.000 0.814 502 A HN 0.563 nan 8.150 nan 0.000 0.444 503 E N -0.695 119.481 120.200 -0.040 0.000 2.107 503 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 503 E C 2.130 178.707 176.600 -0.038 0.000 0.982 503 E CA 1.061 57.439 56.400 -0.037 0.000 0.809 503 E CB -0.255 29.429 29.700 -0.027 0.000 0.756 503 E HN 0.627 nan 8.360 nan 0.000 0.459 504 R N 0.318 120.796 120.500 -0.036 0.000 2.075 504 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 504 R C 1.790 178.061 176.300 -0.048 0.000 1.126 504 R CA 1.023 57.102 56.100 -0.036 0.000 0.963 504 R CB -0.139 30.143 30.300 -0.030 0.000 0.858 504 R HN 0.194 nan 8.270 nan 0.000 0.435 505 L N 0.531 121.718 121.223 -0.060 0.000 2.554 505 L HA 0.029 4.369 4.340 -0.000 0.000 0.226 505 L C 0.544 177.365 176.870 -0.081 0.000 1.137 505 L CA 0.182 54.975 54.840 -0.078 0.000 0.863 505 L CB -0.334 41.671 42.059 -0.091 0.000 0.985 505 L HN 0.436 nan 8.230 nan 0.000 0.451 506 N N 1.299 119.956 118.700 -0.072 0.000 2.746 506 N HA -0.175 4.565 4.740 -0.000 0.000 0.250 506 N C -0.508 174.940 175.510 -0.103 0.000 1.055 506 N CA -0.110 52.894 53.050 -0.076 0.000 0.699 506 N CB -0.410 38.038 38.487 -0.065 0.000 0.919 506 N HN 0.032 nan 8.380 nan 0.000 0.548 507 L N 1.499 122.657 121.223 -0.109 0.000 2.410 507 L HA 0.108 4.448 4.340 -0.000 0.000 0.273 507 L C 1.792 178.556 176.870 -0.177 0.000 1.152 507 L CA 0.666 55.421 54.840 -0.142 0.000 0.855 507 L CB 1.016 43.005 42.059 -0.118 0.000 1.129 507 L HN 0.171 nan 8.230 nan 0.000 0.463 508 R N 0.375 120.702 120.500 -0.289 0.000 2.254 508 R HA 0.185 4.525 4.340 -0.000 0.000 0.195 508 R C 0.538 176.648 176.300 -0.316 0.000 0.957 508 R CA 0.159 56.030 56.100 -0.382 0.000 1.024 508 R CB 0.093 29.944 30.300 -0.749 0.000 0.952 508 R HN 0.620 nan 8.270 nan 0.000 0.484 509 S N 0.069 115.617 115.700 -0.253 0.000 2.655 509 S HA 0.585 5.055 4.470 -0.000 0.000 0.265 509 S C 0.059 174.590 174.600 -0.115 0.000 1.240 509 S CA -0.555 57.578 58.200 -0.111 0.000 0.986 509 S CB 1.261 64.422 63.200 -0.066 0.000 0.985 509 S HN 0.359 nan 8.310 nan 0.000 0.562 510 A N 1.219 123.966 122.820 -0.122 0.000 2.445 510 A HA 0.476 4.796 4.320 -0.000 0.000 0.242 510 A C -0.227 177.258 177.584 -0.165 0.000 1.075 510 A CA -0.127 51.819 52.037 -0.151 0.000 0.777 510 A CB -0.193 18.695 19.000 -0.187 0.000 1.013 510 A HN 0.573 nan 8.150 nan 0.000 0.493 511 I N 0.546 121.033 120.570 -0.138 0.000 2.493 511 I HA 0.635 4.805 4.170 -0.000 0.000 0.298 511 I C 0.447 176.493 176.117 -0.118 0.000 0.998 511 I CA -0.250 60.971 61.300 -0.132 0.000 1.137 511 I CB 1.188 39.145 38.000 -0.072 0.000 1.310 511 I HN 0.750 nan 8.210 nan 0.000 0.445 512 A N 5.662 128.399 122.820 -0.137 0.000 2.435 512 A HA 0.828 5.148 4.320 -0.000 0.000 0.304 512 A C -1.142 176.549 177.584 0.178 0.000 1.064 512 A CA -0.520 51.516 52.037 -0.001 0.000 0.727 512 A CB 1.822 20.742 19.000 -0.133 0.000 1.284 512 A HN 0.376 nan 8.150 nan 0.000 0.415 513 V N 1.799 121.877 119.914 0.273 0.000 2.581 513 V HA 0.574 4.694 4.120 -0.000 0.000 0.303 513 V C 0.274 176.577 176.094 0.348 0.000 1.041 513 V CA -0.532 61.919 62.300 0.252 0.000 0.907 513 V CB 1.683 33.591 31.823 0.141 0.000 0.994 513 V HN 1.087 nan 8.190 nan 0.000 0.442 514 V N 2.528 122.600 119.914 0.263 0.000 2.686 514 V HA 0.823 4.943 4.120 -0.000 0.000 0.295 514 V C -0.418 175.734 176.094 0.098 0.000 1.057 514 V CA -0.485 61.949 62.300 0.224 0.000 1.012 514 V CB 1.070 32.975 31.823 0.138 0.000 1.006 514 V HN 1.066 nan 8.190 nan 0.000 0.477 515 K N 1.886 122.313 120.400 0.045 0.000 2.587 515 K HA 0.692 5.012 4.320 -0.000 0.000 0.276 515 K C 0.110 176.690 176.600 -0.034 0.000 0.956 515 K CA -0.553 55.714 56.287 -0.035 0.000 0.857 515 K CB 1.425 33.854 32.500 -0.119 0.000 1.431 515 K HN 1.950 nan 8.250 nan 0.000 0.420 516 G N 0.652 109.429 108.800 -0.037 0.000 2.149 516 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.235 516 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.235 516 G C 0.585 175.463 174.900 -0.037 0.000 1.018 516 G CA 0.144 45.223 45.100 -0.035 0.000 0.728 516 G HN 0.664 nan 8.290 nan 0.000 0.508 517 C N -0.212 119.063 119.300 -0.041 0.000 2.467 517 C HA 0.110 4.570 4.460 -0.000 0.000 0.279 517 C C 2.674 177.620 174.990 -0.074 0.000 1.347 517 C CA 1.195 60.171 59.018 -0.069 0.000 1.748 517 C CB -0.475 27.223 27.740 -0.071 0.000 1.977 517 C HN 0.602 nan 8.230 nan 0.000 0.501 518 R N 1.352 121.818 120.500 -0.055 0.000 2.153 518 R HA -0.037 4.303 4.340 -0.000 0.000 0.218 518 R C 2.047 178.319 176.300 -0.046 0.000 1.072 518 R CA 1.749 57.819 56.100 -0.051 0.000 0.990 518 R CB -1.583 28.693 30.300 -0.039 0.000 0.889 518 R HN 0.718 nan 8.270 nan 0.000 0.452 519 T N -0.761 113.768 114.554 -0.043 0.000 3.067 519 T HA 0.068 4.418 4.350 -0.000 0.000 0.261 519 T C 1.226 175.901 174.700 -0.041 0.000 1.110 519 T CA 0.025 62.102 62.100 -0.037 0.000 1.113 519 T CB -0.500 68.349 68.868 -0.032 0.000 0.917 519 T HN 0.026 nan 8.240 nan 0.000 0.499 520 V N 1.356 121.240 119.914 -0.051 0.000 2.811 520 V HA 0.543 4.663 4.120 -0.000 0.000 0.302 520 V C -0.359 175.701 176.094 -0.057 0.000 1.063 520 V CA -1.042 61.224 62.300 -0.056 0.000 1.088 520 V CB 0.586 32.366 31.823 -0.072 0.000 0.982 520 V HN 0.731 nan 8.190 nan 0.000 0.485 521 Q N 1.734 121.503 119.800 -0.051 0.000 2.615 521 Q HA 0.518 4.858 4.340 -0.000 0.000 0.298 521 Q C 0.367 176.340 176.000 -0.046 0.000 1.023 521 Q CA -1.079 54.698 55.803 -0.044 0.000 0.768 521 Q CB 1.576 30.296 28.738 -0.030 0.000 1.500 521 Q HN 0.399 nan 8.270 nan 0.000 0.441 522 K N 0.794 121.171 120.400 -0.037 0.000 2.127 522 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 522 K C 1.737 178.319 176.600 -0.030 0.000 1.047 522 K CA 2.423 58.689 56.287 -0.036 0.000 0.927 522 K CB -0.820 31.667 32.500 -0.022 0.000 0.716 522 K HN 0.668 nan 8.250 nan 0.000 0.450 523 A N 0.417 123.223 122.820 -0.024 0.000 2.121 523 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 523 A C 1.287 178.854 177.584 -0.028 0.000 1.154 523 A CA 1.762 53.788 52.037 -0.018 0.000 0.679 523 A CB -0.336 18.657 19.000 -0.013 0.000 0.795 523 A HN 0.379 nan 8.150 nan 0.000 0.458 524 D N -0.517 119.859 120.400 -0.041 0.000 2.349 524 D HA 0.043 4.683 4.640 -0.000 0.000 0.215 524 D C 0.308 176.563 176.300 -0.076 0.000 1.016 524 D CA 0.268 54.236 54.000 -0.054 0.000 0.870 524 D CB -0.082 40.686 40.800 -0.052 0.000 0.917 524 D HN 0.280 nan 8.370 nan 0.000 0.524 525 M N 1.785 121.343 119.600 -0.071 0.000 2.292 525 M HA 0.068 4.548 4.480 -0.000 0.000 0.342 525 M C -0.030 176.208 176.300 -0.103 0.000 1.538 525 M CA -0.248 55.000 55.300 -0.086 0.000 1.163 525 M CB 0.652 33.212 32.600 -0.067 0.000 1.823 525 M HN -0.321 nan 8.290 nan 0.000 0.462 526 V N 6.399 126.207 119.914 -0.177 0.000 2.475 526 V HA -0.100 4.020 4.120 -0.000 0.000 0.292 526 V C 1.178 177.147 176.094 -0.209 0.000 1.003 526 V CA 0.440 62.556 62.300 -0.308 0.000 1.120 526 V CB -0.941 30.585 31.823 -0.495 0.000 0.937 526 V HN 0.902 nan 8.190 nan 0.000 0.476 527 H N 2.475 121.561 119.070 0.028 0.000 3.612 527 H HA -0.160 4.396 4.556 -0.000 0.000 0.212 527 H C 0.609 175.959 175.328 0.036 0.000 1.041 527 H CA 1.425 57.514 56.048 0.067 0.000 1.205 527 H CB -1.228 28.500 29.762 -0.058 0.000 1.159 527 H HN 0.848 nan 8.280 nan 0.000 0.323 528 N N 0.163 118.914 118.700 0.084 0.000 2.733 528 N HA 0.154 4.894 4.740 -0.000 0.000 0.271 528 N C 0.207 175.730 175.510 0.021 0.000 1.720 528 N CA 0.670 53.745 53.050 0.042 0.000 0.803 528 N CB 1.053 39.539 38.487 -0.001 0.000 1.208 528 N HN 0.299 nan 8.380 nan 0.000 0.498 529 S N -0.781 114.944 115.700 0.042 0.000 2.629 529 S HA 0.147 4.617 4.470 -0.000 0.000 0.236 529 S C 0.439 175.055 174.600 0.026 0.000 1.010 529 S CA -0.389 57.824 58.200 0.021 0.000 0.981 529 S CB 0.331 63.543 63.200 0.021 0.000 0.919 529 S HN 0.244 nan 8.310 nan 0.000 0.514 530 L N 2.858 124.105 121.223 0.040 0.000 2.499 530 L HA 0.289 4.629 4.340 -0.000 0.000 0.273 530 L C -0.203 176.683 176.870 0.027 0.000 1.195 530 L CA 0.998 55.861 54.840 0.038 0.000 0.882 530 L CB 0.367 42.456 42.059 0.050 0.000 1.133 530 L HN 0.305 nan 8.230 nan 0.000 0.483 531 Q N 7.110 126.919 119.800 0.015 0.000 2.523 531 Q HA 0.407 4.746 4.340 -0.000 0.000 0.251 531 Q C -2.276 173.723 176.000 -0.002 0.000 1.033 531 Q CA -1.684 54.120 55.803 0.001 0.000 0.746 531 Q CB 1.285 30.012 28.738 -0.020 0.000 1.189 531 Q HN 0.539 nan 8.270 nan 0.000 0.508 532 P HA 0.110 nan 4.420 nan 0.000 0.284 532 P C -0.663 176.636 177.300 -0.002 0.000 1.258 532 P CA -0.597 62.510 63.100 0.011 0.000 0.824 532 P CB 0.972 32.690 31.700 0.029 0.000 1.038 533 N N 2.221 120.917 118.700 -0.007 0.000 2.739 533 N HA 0.136 4.876 4.740 -0.000 0.000 0.266 533 N C -0.516 174.995 175.510 0.002 0.000 1.168 533 N CA -0.186 52.855 53.050 -0.014 0.000 1.055 533 N CB -1.034 37.444 38.487 -0.015 0.000 1.393 533 N HN 0.416 nan 8.380 nan 0.000 0.514 534 I N 2.084 122.662 120.570 0.013 0.000 2.385 534 I HA 0.434 4.604 4.170 -0.000 0.000 0.294 534 I C -0.326 175.808 176.117 0.029 0.000 0.988 534 I CA -0.326 60.991 61.300 0.027 0.000 1.265 534 I CB 1.070 39.100 38.000 0.050 0.000 1.388 534 I HN 0.451 nan 8.210 nan 0.000 0.480 535 T N 3.976 118.545 114.554 0.025 0.000 2.906 535 T HA 0.698 5.048 4.350 -0.000 0.000 0.295 535 T C -0.887 173.830 174.700 0.028 0.000 1.061 535 T CA -0.724 61.390 62.100 0.023 0.000 1.000 535 T CB 1.848 70.724 68.868 0.013 0.000 1.103 535 T HN 0.279 nan 8.240 nan 0.000 0.486 536 V N 1.718 121.651 119.914 0.031 0.000 2.531 536 V HA 0.405 4.525 4.120 -0.000 0.000 0.301 536 V C -0.364 175.759 176.094 0.048 0.000 1.034 536 V CA -0.934 61.392 62.300 0.044 0.000 0.865 536 V CB 1.773 33.624 31.823 0.046 0.000 0.995 536 V HN 1.070 nan 8.190 nan 0.000 0.424 537 D N 3.512 123.949 120.400 0.062 0.000 2.338 537 D HA 0.235 4.875 4.640 -0.000 0.000 0.255 537 D C 1.196 177.555 176.300 0.099 0.000 1.237 537 D CA 0.424 54.454 54.000 0.050 0.000 0.883 537 D CB 2.019 42.833 40.800 0.025 0.000 1.087 537 D HN 0.700 nan 8.370 nan 0.000 0.485 538 A N 4.343 127.200 122.820 0.061 0.000 1.997 538 A HA -0.290 4.030 4.320 -0.000 0.000 0.221 538 A C 1.882 179.534 177.584 0.113 0.000 1.172 538 A CA 1.755 53.845 52.037 0.088 0.000 0.645 538 A CB -0.100 18.897 19.000 -0.006 0.000 0.813 538 A HN 0.695 nan 8.150 nan 0.000 0.454 539 Q N -1.482 118.307 119.800 -0.018 0.000 2.123 539 Q HA -0.004 4.336 4.340 -0.000 0.000 0.193 539 Q C 2.255 177.997 176.000 -0.430 0.000 0.981 539 Q CA 1.517 57.219 55.803 -0.167 0.000 0.833 539 Q CB -0.420 28.249 28.738 -0.114 0.000 0.914 539 Q HN 0.728 nan 8.270 nan 0.000 0.484 540 T N -2.280 112.123 114.554 -0.251 0.000 3.072 540 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 540 T C -0.126 174.476 174.700 -0.163 0.000 1.127 540 T CA 0.421 62.370 62.100 -0.252 0.000 1.107 540 T CB -0.170 68.635 68.868 -0.104 0.000 0.910 540 T HN 0.310 nan 8.240 nan 0.000 0.513 541 Y N 0.396 120.687 120.300 -0.015 0.000 4.798 541 Y HA -0.194 4.356 4.550 -0.000 0.000 0.237 541 Y C 0.316 176.202 175.900 -0.024 0.000 1.017 541 Y CA -0.227 57.862 58.100 -0.018 0.000 2.010 541 Y CB -2.938 35.510 38.460 -0.020 0.000 1.582 541 Y HN 0.534 nan 8.280 nan 0.000 0.621 542 E N 0.287 120.549 120.200 0.104 0.000 2.384 542 E HA 0.350 4.700 4.350 -0.000 0.000 0.266 542 E C 0.016 176.641 176.600 0.041 0.000 1.012 542 E CA -0.139 56.291 56.400 0.050 0.000 0.901 542 E CB 1.129 30.842 29.700 0.020 0.000 0.967 542 E HN 0.023 nan 8.360 nan 0.000 0.435 543 V N 4.613 124.539 119.914 0.020 0.000 2.407 543 V HA 0.351 4.471 4.120 -0.000 0.000 0.278 543 V C 0.144 176.243 176.094 0.008 0.000 1.037 543 V CA -0.420 61.888 62.300 0.013 0.000 0.900 543 V CB 1.041 32.860 31.823 -0.006 0.000 0.983 543 V HN 0.602 nan 8.190 nan 0.000 0.459 544 R N 3.060 123.567 120.500 0.012 0.000 2.628 544 R HA 0.743 5.083 4.340 -0.000 0.000 0.288 544 R C -1.687 174.619 176.300 0.010 0.000 0.980 544 R CA -0.723 55.382 56.100 0.008 0.000 0.891 544 R CB 2.631 32.935 30.300 0.008 0.000 1.188 544 R HN 0.495 nan 8.270 nan 0.000 0.450 545 V N 3.350 123.269 119.914 0.008 0.000 2.378 545 V HA 0.156 4.276 4.120 -0.000 0.000 0.288 545 V C -0.223 175.875 176.094 0.006 0.000 1.016 545 V CA -0.457 61.849 62.300 0.009 0.000 0.840 545 V CB 1.478 33.307 31.823 0.011 0.000 0.994 545 V HN 0.863 nan 8.190 nan 0.000 0.431 546 D N 4.379 124.781 120.400 0.004 0.000 2.837 546 D HA -0.209 4.431 4.640 -0.000 0.000 0.230 546 D C 1.354 177.656 176.300 0.002 0.000 1.152 546 D CA 1.840 55.842 54.000 0.002 0.000 0.736 546 D CB -1.093 39.709 40.800 0.003 0.000 1.084 546 D HN 1.335 nan 8.370 nan 0.000 0.429 547 G N -0.038 108.763 108.800 0.003 0.000 2.320 547 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.242 547 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.242 547 G C 0.159 175.061 174.900 0.003 0.000 1.033 547 G CA 0.698 45.799 45.100 0.002 0.000 0.620 547 G HN 0.723 nan 8.290 nan 0.000 0.517 548 E N 1.448 121.651 120.200 0.004 0.000 2.373 548 E HA 0.502 4.852 4.350 -0.000 0.000 0.267 548 E C 0.100 176.703 176.600 0.005 0.000 1.032 548 E CA -0.854 55.549 56.400 0.005 0.000 0.889 548 E CB 1.460 31.163 29.700 0.006 0.000 0.984 548 E HN 0.445 nan 8.360 nan 0.000 0.425 549 L N 4.214 125.440 121.223 0.005 0.000 2.380 549 L HA 0.209 4.549 4.340 -0.000 0.000 0.273 549 L C -0.768 176.104 176.870 0.003 0.000 1.138 549 L CA -0.199 54.643 54.840 0.004 0.000 0.832 549 L CB 0.642 42.703 42.059 0.004 0.000 1.124 549 L HN 0.569 nan 8.230 nan 0.000 0.454 550 I N 4.800 125.369 120.570 -0.002 0.000 2.377 550 I HA 0.559 4.729 4.170 -0.000 0.000 0.293 550 I C 0.276 176.385 176.117 -0.014 0.000 0.987 550 I CA -0.122 61.173 61.300 -0.008 0.000 1.185 550 I CB 0.961 38.951 38.000 -0.017 0.000 1.341 550 I HN 0.720 nan 8.210 nan 0.000 0.455 551 T N 3.887 118.438 114.554 -0.005 0.000 2.686 551 T HA 0.626 4.976 4.350 -0.000 0.000 0.308 551 T C -1.377 173.341 174.700 0.031 0.000 1.667 551 T CA -0.331 61.768 62.100 -0.002 0.000 0.987 551 T CB 1.290 70.163 68.868 0.009 0.000 1.652 551 T HN 0.820 nan 8.240 nan 0.000 0.496 552 S N 0.959 116.702 115.700 0.073 0.000 2.615 552 S HA 0.755 5.225 4.470 -0.000 0.000 0.269 552 S C -1.736 173.001 174.600 0.228 0.000 1.161 552 S CA -1.050 57.225 58.200 0.124 0.000 0.817 552 S CB 1.895 65.170 63.200 0.124 0.000 1.131 552 S HN 0.671 nan 8.310 nan 0.000 0.467 553 E N 1.842 122.133 120.200 0.151 0.000 2.242 553 E HA 0.472 4.822 4.350 -0.000 0.000 0.275 553 E C -2.579 173.971 176.600 -0.084 0.000 1.002 553 E CA -2.260 54.187 56.400 0.078 0.000 0.841 553 E CB 1.227 30.937 29.700 0.016 0.000 1.109 553 E HN 0.473 nan 8.360 nan 0.000 0.394 554 P HA 0.116 nan 4.420 nan 0.000 0.276 554 P C -0.837 176.277 177.300 -0.310 0.000 1.243 554 P CA -0.205 62.436 63.100 -0.765 0.000 0.768 554 P CB 0.751 31.840 31.700 -1.018 0.000 0.856 555 A N 3.681 126.379 122.820 -0.204 0.000 2.401 555 A HA 0.181 4.501 4.320 -0.000 0.000 0.259 555 A C 1.301 178.837 177.584 -0.081 0.000 1.103 555 A CA -0.378 51.607 52.037 -0.086 0.000 0.789 555 A CB 0.056 19.047 19.000 -0.016 0.000 1.035 555 A HN 0.656 nan 8.150 nan 0.000 0.491 556 D N 1.042 121.413 120.400 -0.047 0.000 2.301 556 D HA 0.069 4.709 4.640 -0.000 0.000 0.206 556 D C 0.138 176.430 176.300 -0.013 0.000 0.979 556 D CA 0.614 54.593 54.000 -0.036 0.000 0.874 556 D CB 0.005 40.787 40.800 -0.030 0.000 0.968 556 D HN 0.206 nan 8.370 nan 0.000 0.510 557 V N 0.733 120.649 119.914 0.003 0.000 2.888 557 V HA 0.438 4.558 4.120 -0.000 0.000 0.309 557 V C -0.635 175.478 176.094 0.032 0.000 1.114 557 V CA -0.891 61.418 62.300 0.015 0.000 0.940 557 V CB 2.730 34.561 31.823 0.014 0.000 1.021 557 V HN 0.051 nan 8.190 nan 0.000 0.426 558 L N 3.834 125.071 121.223 0.024 0.000 2.350 558 L HA 0.665 5.005 4.340 -0.000 0.000 0.260 558 L C -2.519 174.338 176.870 -0.021 0.000 1.015 558 L CA -1.710 53.140 54.840 0.016 0.000 0.821 558 L CB 2.901 44.979 42.059 0.031 0.000 1.370 558 L HN 0.465 nan 8.230 nan 0.000 0.416 559 P HA 0.385 nan 4.420 nan 0.000 0.293 559 P C -0.317 177.001 177.300 0.030 0.000 1.304 559 P CA -0.586 62.456 63.100 -0.097 0.000 0.767 559 P CB 0.413 31.929 31.700 -0.307 0.000 1.247 560 M N -2.733 116.954 119.600 0.145 0.000 2.393 560 M HA -0.281 4.199 4.480 -0.000 0.000 0.201 560 M C 0.256 176.743 176.300 0.312 0.000 0.403 560 M CA 0.808 56.198 55.300 0.149 0.000 0.471 560 M CB -2.213 30.381 32.600 -0.010 0.000 1.669 560 M HN 0.488 nan 8.290 nan 0.000 0.864 561 A N -0.265 122.766 122.820 0.351 0.000 2.751 561 A HA 0.302 4.622 4.320 -0.000 0.000 0.201 561 A C 1.078 178.884 177.584 0.370 0.000 1.619 561 A CA 0.221 52.457 52.037 0.332 0.000 1.607 561 A CB 0.033 19.124 19.000 0.152 0.000 1.580 561 A HN 0.445 nan 8.150 nan 0.000 0.499 562 Q N -0.223 119.688 119.800 0.185 0.000 2.368 562 Q HA -0.126 4.214 4.340 -0.000 0.000 0.210 562 Q C 1.911 177.929 176.000 0.028 0.000 0.982 562 Q CA 1.340 57.214 55.803 0.119 0.000 0.884 562 Q CB -0.103 28.666 28.738 0.051 0.000 0.933 562 Q HN 0.542 nan 8.270 nan 0.000 0.460 563 R N -0.567 119.897 120.500 -0.060 0.000 2.240 563 R HA -0.091 4.249 4.340 -0.000 0.000 0.203 563 R C 0.708 176.716 176.300 -0.488 0.000 1.011 563 R CA 0.883 56.789 56.100 -0.323 0.000 1.007 563 R CB 0.308 30.300 30.300 -0.514 0.000 0.911 563 R HN 0.264 nan 8.270 nan 0.000 0.468 564 Y N -1.801 118.437 120.300 -0.104 0.000 2.535 564 Y HA 0.262 4.812 4.550 -0.000 0.000 0.264 564 Y C -0.069 175.579 175.900 -0.420 0.000 1.087 564 Y CA -0.472 57.464 58.100 -0.274 0.000 1.285 564 Y CB 0.485 38.674 38.460 -0.452 0.000 1.200 564 Y HN -0.167 nan 8.280 nan 0.000 0.514 565 F N 0.070 120.130 119.950 0.183 0.000 2.399 565 F HA 0.271 4.798 4.527 -0.000 0.000 0.334 565 F C 0.832 176.652 175.800 0.033 0.000 1.097 565 F CA -0.879 57.197 58.000 0.126 0.000 1.076 565 F CB 1.321 40.397 39.000 0.126 0.000 1.162 565 F HN -0.199 nan 8.300 nan 0.000 0.495 566 L N 1.969 123.306 121.223 0.190 0.000 2.313 566 L HA 0.210 4.550 4.340 -0.000 0.000 0.214 566 L C -0.558 176.103 176.870 -0.349 0.000 1.119 566 L CA 1.617 56.407 54.840 -0.084 0.000 0.809 566 L CB -0.411 41.615 42.059 -0.056 0.000 0.933 566 L HN 0.428 nan 8.230 nan 0.000 0.449 567 F N 0.000 120.045 119.950 0.158 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.053 58.000 0.087 0.000 1.383 567 F CB 0.000 39.033 39.000 0.055 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574