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 1fwj_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 GVIGLXIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVCHH LDPDIAEDVA 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 0.000 174.616 174.600 0.026 0.000 1.055 2 S CA 0.000 58.219 58.200 0.032 0.000 1.107 2 S CB 0.000 63.221 63.200 0.035 0.000 0.593 3 N N 0.101 118.817 118.700 0.027 0.000 2.329 3 N HA 0.747 5.487 4.740 -0.000 0.000 0.282 3 N C -1.899 173.631 175.510 0.034 0.000 1.198 3 N CA -0.330 52.729 53.050 0.014 0.000 0.790 3 N CB 2.624 41.113 38.487 0.004 0.000 1.579 3 N HN 0.716 nan 8.380 nan 0.000 0.475 4 I N 0.639 121.229 120.570 0.033 0.000 2.752 4 I HA 0.244 4.414 4.170 -0.000 0.000 0.295 4 I C -0.122 176.024 176.117 0.049 0.000 1.219 4 I CA -0.455 60.889 61.300 0.074 0.000 1.030 4 I CB 1.931 40.030 38.000 0.166 0.000 1.259 4 I HN 0.625 nan 8.210 nan 0.000 0.423 5 S N 6.098 121.832 115.700 0.057 0.000 2.585 5 S HA 0.348 4.818 4.470 -0.000 0.000 0.273 5 S C 1.033 175.675 174.600 0.070 0.000 1.339 5 S CA -0.446 57.777 58.200 0.038 0.000 1.028 5 S CB 1.537 64.757 63.200 0.034 0.000 0.906 5 S HN 0.798 nan 8.310 nan 0.000 0.528 6 R N 0.476 120.994 120.500 0.030 0.000 2.105 6 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 6 R C 2.426 178.802 176.300 0.126 0.000 1.135 6 R CA 1.783 57.913 56.100 0.050 0.000 0.967 6 R CB -0.520 29.779 30.300 -0.002 0.000 0.861 6 R HN 0.811 nan 8.270 nan 0.000 0.442 7 Q N 0.781 120.633 119.800 0.087 0.000 2.050 7 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 7 Q C 1.884 177.939 176.000 0.092 0.000 0.980 7 Q CA 2.179 58.032 55.803 0.082 0.000 0.840 7 Q CB -0.309 28.460 28.738 0.051 0.000 0.898 7 Q HN 0.312 nan 8.270 nan 0.000 0.424 8 A N -0.812 122.062 122.820 0.089 0.000 1.969 8 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 8 A C 2.032 179.672 177.584 0.094 0.000 1.169 8 A CA 1.361 53.438 52.037 0.067 0.000 0.635 8 A CB -1.013 18.023 19.000 0.060 0.000 0.810 8 A HN 0.634 nan 8.150 nan 0.000 0.445 9 Y N 0.506 120.852 120.300 0.076 0.000 2.181 9 Y HA -0.088 4.462 4.550 -0.000 0.000 0.288 9 Y C 2.622 178.628 175.900 0.176 0.000 1.146 9 Y CA 1.384 59.592 58.100 0.180 0.000 1.164 9 Y CB -0.322 38.220 38.460 0.137 0.000 0.982 9 Y HN 0.316 nan 8.280 nan 0.000 0.515 10 A N 0.057 123.046 122.820 0.282 0.000 1.902 10 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 10 A C 1.810 179.415 177.584 0.035 0.000 1.181 10 A CA 1.966 54.116 52.037 0.187 0.000 0.623 10 A CB -0.811 18.291 19.000 0.169 0.000 0.818 10 A HN 0.520 nan 8.150 nan 0.000 0.443 11 D N -1.100 119.297 120.400 -0.005 0.000 2.218 11 D HA -0.095 4.545 4.640 -0.000 0.000 0.204 11 D C 1.833 178.030 176.300 -0.173 0.000 0.976 11 D CA 1.110 55.073 54.000 -0.061 0.000 0.853 11 D CB -0.162 40.609 40.800 -0.047 0.000 0.939 11 D HN 0.497 nan 8.370 nan 0.000 0.481 12 M N -1.561 117.844 119.600 -0.325 0.000 2.412 12 M HA 0.070 4.550 4.480 -0.000 0.000 0.263 12 M C 0.591 176.360 176.300 -0.885 0.000 1.122 12 M CA 0.887 55.766 55.300 -0.700 0.000 1.179 12 M CB 0.434 32.398 32.600 -1.060 0.000 1.335 12 M HN -0.102 nan 8.290 nan 0.000 0.465 13 F N -0.146 119.634 119.950 -0.284 0.000 2.706 13 F HA 0.475 5.002 4.527 -0.000 0.000 0.313 13 F C 0.903 176.663 175.800 -0.067 0.000 1.096 13 F CA 0.072 57.938 58.000 -0.224 0.000 1.219 13 F CB 0.303 39.048 39.000 -0.425 0.000 1.051 13 F HN 0.224 nan 8.300 nan 0.000 0.568 14 G N 1.473 110.325 108.800 0.086 0.000 2.707 14 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.686 14 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.686 14 G C -3.010 172.022 174.900 0.220 0.000 1.315 14 G CA -1.382 43.799 45.100 0.134 0.000 0.832 14 G HN -0.067 nan 8.290 nan 0.000 0.573 15 P HA 0.415 nan 4.420 nan 0.000 0.270 15 P C 0.117 177.564 177.300 0.245 0.000 1.223 15 P CA 0.453 63.676 63.100 0.205 0.000 0.785 15 P CB 1.555 33.335 31.700 0.132 0.000 0.923 16 T N -0.258 114.430 114.554 0.224 0.000 2.773 16 T HA 0.278 4.628 4.350 -0.000 0.000 0.278 16 T C -0.439 174.337 174.700 0.126 0.000 1.011 16 T CA -0.797 61.424 62.100 0.203 0.000 1.014 16 T CB 0.641 69.632 68.868 0.205 0.000 1.293 16 T HN 0.099 nan 8.240 nan 0.000 0.554 17 V N 2.340 122.325 119.914 0.120 0.000 2.621 17 V HA 0.303 4.423 4.120 -0.000 0.000 0.300 17 V C 1.836 177.966 176.094 0.061 0.000 1.031 17 V CA 1.790 64.141 62.300 0.085 0.000 1.210 17 V CB -0.282 31.593 31.823 0.087 0.000 0.864 17 V HN 1.319 nan 8.190 nan 0.000 0.477 18 G N 3.806 112.638 108.800 0.053 0.000 2.254 18 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.225 18 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.225 18 G C -0.054 174.872 174.900 0.044 0.000 1.003 18 G CA 0.003 45.126 45.100 0.039 0.000 0.622 18 G HN 0.662 nan 8.290 nan 0.000 0.507 19 D N 1.579 122.016 120.400 0.062 0.000 2.341 19 D HA 0.534 5.174 4.640 -0.000 0.000 0.245 19 D C 0.580 176.935 176.300 0.093 0.000 1.106 19 D CA 0.412 54.459 54.000 0.078 0.000 0.905 19 D CB 1.050 41.909 40.800 0.098 0.000 1.202 19 D HN 0.421 nan 8.370 nan 0.000 0.426 20 K N 0.298 120.775 120.400 0.129 0.000 2.208 20 K HA 0.679 4.999 4.320 -0.000 0.000 0.247 20 K C -0.921 175.840 176.600 0.267 0.000 0.953 20 K CA -0.961 55.452 56.287 0.209 0.000 0.837 20 K CB 2.180 34.831 32.500 0.252 0.000 1.131 20 K HN 0.083 nan 8.250 nan 0.000 0.431 21 V N 1.751 121.782 119.914 0.196 0.000 2.686 21 V HA 0.363 4.483 4.120 -0.000 0.000 0.306 21 V C -0.579 175.328 176.094 -0.311 0.000 1.065 21 V CA -0.986 61.302 62.300 -0.020 0.000 0.894 21 V CB 1.769 33.542 31.823 -0.084 0.000 1.004 21 V HN 0.696 nan 8.190 nan 0.000 0.424 22 R N 4.034 124.107 120.500 -0.712 0.000 2.340 22 R HA 0.510 4.850 4.340 -0.000 0.000 0.300 22 R C -0.921 174.994 176.300 -0.641 0.000 1.069 22 R CA -0.518 54.914 56.100 -1.112 0.000 0.984 22 R CB 0.613 30.124 30.300 -1.315 0.000 1.003 22 R HN 0.715 nan 8.270 nan 0.000 0.459 23 L N 6.343 127.204 121.223 -0.604 0.000 2.295 23 L HA 0.252 4.592 4.340 -0.000 0.000 0.288 23 L C 1.125 177.788 176.870 -0.344 0.000 1.079 23 L CA 0.253 54.777 54.840 -0.526 0.000 0.830 23 L CB 0.485 42.151 42.059 -0.654 0.000 1.200 23 L HN 1.136 nan 8.230 nan 0.000 0.438 24 A N 4.179 126.848 122.820 -0.251 0.000 5.483 24 A HA -0.318 4.002 4.320 -0.000 0.000 0.309 24 A C 0.807 178.295 177.584 -0.160 0.000 1.898 24 A CA 1.478 53.412 52.037 -0.172 0.000 0.716 24 A CB -1.090 17.793 19.000 -0.195 0.000 1.309 24 A HN 0.949 nan 8.150 nan 0.000 0.380 25 D N 0.096 120.448 120.400 -0.080 0.000 2.525 25 D HA 0.343 4.983 4.640 -0.000 0.000 0.229 25 D C 0.708 176.928 176.300 -0.134 0.000 1.202 25 D CA 1.026 54.971 54.000 -0.092 0.000 0.828 25 D CB -1.018 39.765 40.800 -0.028 0.000 1.008 25 D HN 1.091 nan 8.370 nan 0.000 0.493 26 T N -2.719 111.733 114.554 -0.169 0.000 2.852 26 T HA 0.266 4.616 4.350 -0.000 0.000 0.281 26 T C 0.784 175.489 174.700 0.009 0.000 0.993 26 T CA -0.492 61.531 62.100 -0.128 0.000 0.933 26 T CB 1.566 70.394 68.868 -0.067 0.000 1.187 26 T HN -0.220 nan 8.240 nan 0.000 0.559 27 E N -0.048 120.322 120.200 0.284 0.000 2.463 27 E HA 0.284 4.634 4.350 -0.000 0.000 0.193 27 E C -0.063 176.640 176.600 0.172 0.000 1.041 27 E CA -0.104 56.428 56.400 0.219 0.000 0.879 27 E CB -0.119 29.708 29.700 0.211 0.000 0.997 27 E HN 0.542 nan 8.360 nan 0.000 0.478 28 L N 0.723 121.959 121.223 0.021 0.000 2.290 28 L HA 0.254 4.594 4.340 -0.000 0.000 0.284 28 L C -0.424 176.345 176.870 -0.168 0.000 1.078 28 L CA -0.353 54.488 54.840 0.001 0.000 0.815 28 L CB 0.442 42.473 42.059 -0.047 0.000 1.162 28 L HN -0.080 nan 8.230 nan 0.000 0.435 29 W N 4.811 126.067 121.300 -0.073 0.000 2.656 29 W HA 0.607 5.267 4.660 -0.000 0.000 0.327 29 W C -0.070 176.391 176.519 -0.097 0.000 1.041 29 W CA -0.472 56.820 57.345 -0.087 0.000 1.229 29 W CB 1.438 30.868 29.460 -0.050 0.000 1.397 29 W HN 0.246 nan 8.180 nan 0.000 0.479 30 I N -0.361 120.245 120.570 0.061 0.000 2.707 30 I HA 0.699 4.869 4.170 -0.000 0.000 0.309 30 I C -0.523 175.632 176.117 0.063 0.000 1.001 30 I CA -1.097 60.205 61.300 0.003 0.000 1.129 30 I CB 2.178 40.099 38.000 -0.132 0.000 1.308 30 I HN 0.422 nan 8.210 nan 0.000 0.466 31 E N 3.400 123.627 120.200 0.045 0.000 2.256 31 E HA 0.407 4.757 4.350 -0.000 0.000 0.268 31 E C -1.468 175.154 176.600 0.037 0.000 0.877 31 E CA -0.883 55.550 56.400 0.055 0.000 0.757 31 E CB 2.498 32.230 29.700 0.055 0.000 1.183 31 E HN 0.595 nan 8.360 nan 0.000 0.418 32 V N 5.077 125.018 119.914 0.046 0.000 2.458 32 V HA -0.046 4.074 4.120 -0.000 0.000 0.287 32 V C 0.950 177.075 176.094 0.051 0.000 1.009 32 V CA 0.760 63.089 62.300 0.047 0.000 1.091 32 V CB 0.532 32.398 31.823 0.071 0.000 0.960 32 V HN 0.828 nan 8.190 nan 0.000 0.476 33 E N 2.355 122.582 120.200 0.046 0.000 2.230 33 E HA 0.040 4.390 4.350 -0.000 0.000 0.192 33 E C 0.224 176.862 176.600 0.063 0.000 0.987 33 E CA 0.459 56.892 56.400 0.055 0.000 0.841 33 E CB 0.368 30.103 29.700 0.059 0.000 0.783 33 E HN 0.749 nan 8.360 nan 0.000 0.481 34 D N -0.732 119.709 120.400 0.069 0.000 2.648 34 D HA 0.165 4.805 4.640 -0.000 0.000 0.244 34 D C -2.007 174.335 176.300 0.069 0.000 1.244 34 D CA -0.538 53.503 54.000 0.069 0.000 0.772 34 D CB 1.959 42.809 40.800 0.083 0.000 1.379 34 D HN -0.208 nan 8.370 nan 0.000 0.428 35 D N 2.172 122.598 120.400 0.044 0.000 2.686 35 D HA 0.228 4.868 4.640 -0.000 0.000 0.249 35 D C 0.188 176.469 176.300 -0.031 0.000 1.260 35 D CA -0.398 53.618 54.000 0.027 0.000 0.910 35 D CB 1.549 42.369 40.800 0.033 0.000 1.323 35 D HN 0.121 nan 8.370 nan 0.000 0.561 36 L N 2.415 123.638 121.223 -0.001 0.000 2.599 36 L HA 0.144 4.484 4.340 -0.000 0.000 0.230 36 L C 1.477 178.310 176.870 -0.060 0.000 1.141 36 L CA 0.516 55.345 54.840 -0.018 0.000 0.877 36 L CB -0.607 41.470 42.059 0.029 0.000 1.009 36 L HN 0.365 nan 8.230 nan 0.000 0.447 37 T N -1.107 113.382 114.554 -0.108 0.000 2.788 37 T HA 0.279 4.629 4.350 -0.000 0.000 0.280 37 T C 0.185 174.730 174.700 -0.258 0.000 0.984 37 T CA -0.184 61.834 62.100 -0.137 0.000 0.972 37 T CB 0.662 69.471 68.868 -0.097 0.000 1.039 37 T HN 0.083 nan 8.240 nan 0.000 0.530 38 T N 2.998 117.440 114.554 -0.188 0.000 2.809 38 T HA 0.358 4.708 4.350 -0.000 0.000 0.296 38 T C -0.850 173.788 174.700 -0.102 0.000 1.015 38 T CA -0.205 61.790 62.100 -0.175 0.000 0.954 38 T CB -0.121 68.704 68.868 -0.073 0.000 0.950 38 T HN 0.528 nan 8.240 nan 0.000 0.450 39 Y N 1.952 122.233 120.300 -0.032 0.000 2.852 39 Y HA 0.212 4.762 4.550 -0.000 0.000 0.343 39 Y C 1.735 177.616 175.900 -0.030 0.000 1.280 39 Y CA 0.827 58.904 58.100 -0.039 0.000 1.604 39 Y CB 0.092 38.513 38.460 -0.065 0.000 1.216 39 Y HN 1.038 nan 8.280 nan 0.000 0.541 40 G N 2.231 111.105 108.800 0.123 0.000 2.195 40 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.224 40 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.224 40 G C 0.461 175.369 174.900 0.014 0.000 0.990 40 G CA -0.083 45.050 45.100 0.056 0.000 0.639 40 G HN 0.562 nan 8.290 nan 0.000 0.514 41 E N 0.794 120.991 120.200 -0.005 0.000 2.624 41 E HA 0.228 4.578 4.350 -0.000 0.000 0.210 41 E C 0.221 176.808 176.600 -0.022 0.000 0.997 41 E CA -0.052 56.345 56.400 -0.006 0.000 0.999 41 E CB 0.543 30.244 29.700 0.002 0.000 1.040 41 E HN 0.667 nan 8.360 nan 0.000 0.469 42 E N 0.878 121.026 120.200 -0.088 0.000 2.392 42 E HA 0.071 4.421 4.350 -0.000 0.000 0.264 42 E C 0.206 176.829 176.600 0.039 0.000 1.024 42 E CA -0.122 56.228 56.400 -0.082 0.000 0.903 42 E CB 0.899 30.383 29.700 -0.360 0.000 0.963 42 E HN -0.070 nan 8.360 nan 0.000 0.432 43 V N 0.122 120.088 119.914 0.086 0.000 2.509 43 V HA 0.524 4.644 4.120 -0.000 0.000 0.284 43 V C -0.044 176.155 176.094 0.176 0.000 1.047 43 V CA -0.596 61.776 62.300 0.119 0.000 0.952 43 V CB 1.142 33.025 31.823 0.100 0.000 0.988 43 V HN 0.502 nan 8.190 nan 0.000 0.469 44 K N 3.470 123.979 120.400 0.181 0.000 2.464 44 K HA 0.555 4.875 4.320 -0.000 0.000 0.253 44 K C -1.934 174.770 176.600 0.174 0.000 0.933 44 K CA -0.653 55.744 56.287 0.184 0.000 0.801 44 K CB 2.629 35.235 32.500 0.177 0.000 1.271 44 K HN 0.751 nan 8.250 nan 0.000 0.430 45 F N 1.536 121.509 119.950 0.038 0.000 2.450 45 F HA 0.716 5.243 4.527 -0.000 0.000 0.332 45 F C 0.149 175.954 175.800 0.008 0.000 1.093 45 F CA 0.387 58.400 58.000 0.021 0.000 1.003 45 F CB 1.752 40.763 39.000 0.017 0.000 1.151 45 F HN 0.675 nan 8.300 nan 0.000 0.474 46 G N 2.371 110.439 108.800 -1.219 0.000 2.368 46 G HA2 0.359 4.319 3.960 -0.000 0.000 0.302 46 G HA3 0.359 4.319 3.960 -0.000 0.000 0.302 46 G C -0.810 173.749 174.900 -0.569 0.000 1.329 46 G CA -0.497 44.084 45.100 -0.865 0.000 0.935 46 G HN 1.052 nan 8.290 nan 0.000 0.590 47 G N -0.802 107.792 108.800 -0.344 0.000 2.299 47 G HA2 0.544 4.504 3.960 -0.000 0.000 0.256 47 G HA3 0.544 4.504 3.960 -0.000 0.000 0.256 47 G C 1.464 176.273 174.900 -0.152 0.000 1.259 47 G CA 1.766 46.740 45.100 -0.209 0.000 0.943 47 G HN 2.455 nan 8.290 nan 0.000 0.479 48 G N 1.541 110.270 108.800 -0.119 0.000 2.155 48 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 48 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 48 G C 0.869 175.729 174.900 -0.066 0.000 0.983 48 G CA 0.875 45.931 45.100 -0.074 0.000 0.676 48 G HN 0.717 nan 8.290 nan 0.000 0.528 49 K N -0.538 119.801 120.400 -0.102 0.000 2.863 49 K HA 0.593 4.912 4.320 -0.000 0.000 0.304 49 K C 1.960 178.554 176.600 -0.009 0.000 1.015 49 K CA 0.094 56.345 56.287 -0.061 0.000 1.093 49 K CB -0.405 32.033 32.500 -0.103 0.000 1.345 49 K HN 0.092 nan 8.250 nan 0.000 0.500 50 V N 0.671 120.607 119.914 0.036 0.000 2.446 50 V HA -0.026 4.094 4.120 -0.000 0.000 0.244 50 V C 1.387 177.525 176.094 0.075 0.000 1.039 50 V CA 0.920 63.257 62.300 0.061 0.000 1.045 50 V CB -0.277 31.598 31.823 0.086 0.000 0.681 50 V HN 0.439 nan 8.190 nan 0.000 0.459 51 I N 2.634 123.275 120.570 0.119 0.000 2.501 51 I HA 0.112 4.282 4.170 -0.000 0.000 0.305 51 I C 0.339 176.545 176.117 0.148 0.000 1.197 51 I CA 0.770 62.164 61.300 0.157 0.000 1.793 51 I CB -0.789 37.361 38.000 0.251 0.000 1.521 51 I HN 0.249 nan 8.210 nan 0.000 0.843 52 R N 2.587 123.139 120.500 0.086 0.000 2.698 52 R HA 0.242 4.582 4.340 -0.000 0.000 0.275 52 R C -0.861 175.467 176.300 0.046 0.000 1.001 52 R CA -1.193 54.946 56.100 0.065 0.000 0.896 52 R CB 1.793 32.114 30.300 0.035 0.000 1.218 52 R HN 0.240 nan 8.270 nan 0.000 0.462 53 D N 0.581 121.005 120.400 0.039 0.000 2.772 53 D HA -0.003 4.637 4.640 -0.000 0.000 0.227 53 D C 1.234 177.547 176.300 0.022 0.000 1.114 53 D CA 2.664 56.681 54.000 0.027 0.000 0.832 53 D CB 0.333 41.146 40.800 0.021 0.000 1.154 53 D HN 0.703 nan 8.370 nan 0.000 0.514 54 G N 2.712 111.524 108.800 0.020 0.000 2.267 54 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.257 54 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.257 54 G C 0.821 175.733 174.900 0.021 0.000 0.998 54 G CA 0.864 45.974 45.100 0.018 0.000 0.620 54 G HN 0.523 nan 8.290 nan 0.000 0.529 55 M N -0.611 119.005 119.600 0.026 0.000 2.209 55 M HA 0.465 4.945 4.480 -0.000 0.000 0.195 55 M C 2.457 178.778 176.300 0.035 0.000 1.518 55 M CA 0.986 56.303 55.300 0.029 0.000 1.747 55 M CB -0.345 32.274 32.600 0.031 0.000 1.021 55 M HN 0.135 nan 8.290 nan 0.000 0.829 56 G N 0.033 108.860 108.800 0.045 0.000 2.848 56 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.208 56 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.208 56 G C 0.339 175.268 174.900 0.047 0.000 1.152 56 G CA 0.118 45.248 45.100 0.051 0.000 0.789 56 G HN 0.463 nan 8.290 nan 0.000 0.531 57 Q N -0.075 119.751 119.800 0.043 0.000 2.337 57 Q HA 0.566 4.906 4.340 -0.000 0.000 0.266 57 Q C 0.175 176.188 176.000 0.022 0.000 1.023 57 Q CA -0.692 55.130 55.803 0.033 0.000 0.829 57 Q CB 1.733 30.496 28.738 0.041 0.000 1.306 57 Q HN 0.138 nan 8.270 nan 0.000 0.449 58 G N 1.133 109.940 108.800 0.012 0.000 2.568 58 G HA2 0.143 4.103 3.960 -0.000 0.000 0.293 58 G HA3 0.143 4.103 3.960 -0.000 0.000 0.293 58 G C 0.008 174.910 174.900 0.003 0.000 1.347 58 G CA -0.218 44.887 45.100 0.008 0.000 1.039 58 G HN 0.659 nan 8.290 nan 0.000 0.523 59 Q N -0.221 119.581 119.800 0.002 0.000 2.247 59 Q HA 0.098 4.438 4.340 -0.000 0.000 0.204 59 Q C 1.146 177.143 176.000 -0.005 0.000 0.872 59 Q CA -0.278 55.525 55.803 -0.000 0.000 0.951 59 Q CB 0.189 28.928 28.738 0.002 0.000 1.099 59 Q HN 0.659 nan 8.270 nan 0.000 0.501 60 M N -0.550 119.046 119.600 -0.008 0.000 2.232 60 M HA 0.239 4.719 4.480 -0.000 0.000 0.321 60 M C 0.062 176.350 176.300 -0.019 0.000 1.101 60 M CA 0.019 55.312 55.300 -0.012 0.000 1.181 60 M CB 0.204 32.795 32.600 -0.015 0.000 1.432 60 M HN -0.099 nan 8.290 nan 0.000 0.457 61 L N 1.754 122.966 121.223 -0.019 0.000 2.475 61 L HA 0.294 4.634 4.340 -0.000 0.000 0.253 61 L C 1.898 178.747 176.870 -0.034 0.000 1.198 61 L CA -0.175 54.652 54.840 -0.022 0.000 0.814 61 L CB 0.436 42.486 42.059 -0.016 0.000 1.134 61 L HN 1.015 nan 8.230 nan 0.000 0.478 62 A N 1.212 124.010 122.820 -0.037 0.000 1.917 62 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 62 A C 2.230 179.780 177.584 -0.058 0.000 1.182 62 A CA 2.000 54.007 52.037 -0.050 0.000 0.633 62 A CB -0.832 18.142 19.000 -0.043 0.000 0.819 62 A HN 0.892 nan 8.150 nan 0.000 0.448 63 A N -0.765 122.032 122.820 -0.039 0.000 2.070 63 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 63 A C 1.333 178.891 177.584 -0.043 0.000 1.159 63 A CA 1.613 53.631 52.037 -0.032 0.000 0.656 63 A CB -0.277 18.717 19.000 -0.011 0.000 0.800 63 A HN 0.471 nan 8.150 nan 0.000 0.453 64 D N -1.076 119.295 120.400 -0.049 0.000 2.363 64 D HA 0.186 4.826 4.640 -0.000 0.000 0.214 64 D C 0.328 176.573 176.300 -0.091 0.000 1.093 64 D CA 0.617 54.588 54.000 -0.047 0.000 0.837 64 D CB -0.022 40.767 40.800 -0.019 0.000 0.948 64 D HN 0.615 nan 8.370 nan 0.000 0.507 65 C N -1.109 118.107 119.300 -0.141 0.000 3.171 65 C HA 0.777 5.237 4.460 -0.000 0.000 0.308 65 C C 0.326 175.151 174.990 -0.274 0.000 1.334 65 C CA -1.204 57.704 59.018 -0.183 0.000 1.473 65 C CB 1.108 28.784 27.740 -0.106 0.000 1.866 65 C HN 0.004 nan 8.230 nan 0.000 0.465 66 V N -0.030 119.702 119.914 -0.304 0.000 2.953 66 V HA 0.412 4.532 4.120 -0.000 0.000 0.304 66 V C 0.513 176.511 176.094 -0.161 0.000 1.073 66 V CA 0.421 62.537 62.300 -0.306 0.000 1.064 66 V CB 0.662 32.326 31.823 -0.264 0.000 1.047 66 V HN 0.910 nan 8.190 nan 0.000 0.478 67 D N 0.795 121.121 120.400 -0.122 0.000 2.183 67 D HA 0.154 4.794 4.640 -0.000 0.000 0.205 67 D C 0.235 176.495 176.300 -0.067 0.000 0.962 67 D CA 1.238 55.189 54.000 -0.081 0.000 0.849 67 D CB 0.496 41.263 40.800 -0.056 0.000 0.978 67 D HN 0.500 nan 8.370 nan 0.000 0.488 68 L N 0.258 121.451 121.223 -0.051 0.000 2.431 68 L HA 0.489 4.829 4.340 -0.000 0.000 0.266 68 L C -1.582 175.279 176.870 -0.015 0.000 0.978 68 L CA -0.863 53.955 54.840 -0.036 0.000 0.822 68 L CB 2.536 44.586 42.059 -0.015 0.000 1.310 68 L HN -0.267 nan 8.230 nan 0.000 0.409 69 V N 5.951 125.856 119.914 -0.016 0.000 2.588 69 V HA 0.619 4.739 4.120 -0.000 0.000 0.304 69 V C -1.317 174.791 176.094 0.024 0.000 1.042 69 V CA -0.472 61.837 62.300 0.015 0.000 0.877 69 V CB 1.968 33.799 31.823 0.014 0.000 0.996 69 V HN 0.730 nan 8.190 nan 0.000 0.425 70 L N 6.588 127.843 121.223 0.053 0.000 2.277 70 L HA 0.516 4.856 4.340 -0.000 0.000 0.284 70 L C 0.637 177.555 176.870 0.079 0.000 1.028 70 L CA 0.045 54.922 54.840 0.061 0.000 0.835 70 L CB 1.697 43.800 42.059 0.074 0.000 1.215 70 L HN 0.851 nan 8.230 nan 0.000 0.425 71 T N -0.279 114.323 114.554 0.081 0.000 2.869 71 T HA 0.268 4.618 4.350 -0.000 0.000 0.295 71 T C 0.573 175.344 174.700 0.118 0.000 0.987 71 T CA -0.678 61.484 62.100 0.102 0.000 1.109 71 T CB 0.532 69.468 68.868 0.114 0.000 0.932 71 T HN 0.604 nan 8.240 nan 0.000 0.518 72 N N 0.143 118.921 118.700 0.130 0.000 2.725 72 N HA -0.154 4.586 4.740 -0.000 0.000 0.251 72 N C 0.004 175.595 175.510 0.135 0.000 1.031 72 N CA 0.829 53.968 53.050 0.148 0.000 0.720 72 N CB -1.629 36.972 38.487 0.188 0.000 0.930 72 N HN 1.116 nan 8.380 nan 0.000 0.543 73 A N 0.134 123.028 122.820 0.124 0.000 2.316 73 A HA 0.581 4.901 4.320 -0.000 0.000 0.284 73 A C 0.412 178.065 177.584 0.115 0.000 1.115 73 A CA -0.522 51.587 52.037 0.120 0.000 0.812 73 A CB 0.839 19.912 19.000 0.121 0.000 1.064 73 A HN 0.307 nan 8.150 nan 0.000 0.489 74 L N 3.791 125.077 121.223 0.105 0.000 2.272 74 L HA 0.469 4.809 4.340 -0.000 0.000 0.284 74 L C -0.557 176.347 176.870 0.057 0.000 1.045 74 L CA -0.171 54.714 54.840 0.074 0.000 0.842 74 L CB -0.063 42.029 42.059 0.056 0.000 1.224 74 L HN 0.556 nan 8.230 nan 0.000 0.430 75 I N 5.234 125.824 120.570 0.034 0.000 2.496 75 I HA 0.227 4.397 4.170 -0.000 0.000 0.285 75 I C -0.365 175.672 176.117 -0.134 0.000 1.080 75 I CA -0.414 60.876 61.300 -0.016 0.000 1.404 75 I CB 1.155 39.142 38.000 -0.022 0.000 1.403 75 I HN 0.238 nan 8.210 nan 0.000 0.539 76 V N 5.781 125.630 119.914 -0.109 0.000 2.349 76 V HA 0.397 4.516 4.120 -0.000 0.000 0.284 76 V C -0.606 175.383 176.094 -0.176 0.000 1.014 76 V CA -0.323 61.884 62.300 -0.154 0.000 0.826 76 V CB 1.429 33.196 31.823 -0.094 0.000 1.009 76 V HN 0.684 nan 8.190 nan 0.000 0.431 77 D N 0.832 120.978 120.400 -0.423 0.000 2.579 77 D HA 0.321 4.961 4.640 -0.000 0.000 0.257 77 D C 0.876 176.918 176.300 -0.430 0.000 1.176 77 D CA -0.448 53.268 54.000 -0.473 0.000 0.914 77 D CB 1.565 41.835 40.800 -0.884 0.000 1.431 77 D HN 0.678 nan 8.370 nan 0.000 0.454 78 H N -0.065 118.931 119.070 -0.123 0.000 2.489 78 H HA -0.061 4.495 4.556 -0.000 0.000 0.295 78 H C 1.363 176.818 175.328 0.211 0.000 1.082 78 H CA 1.739 57.842 56.048 0.091 0.000 1.295 78 H CB -0.312 29.530 29.762 0.134 0.000 1.380 78 H HN 0.507 nan 8.280 nan 0.000 0.548 79 W N 0.222 121.378 121.300 -0.240 0.000 3.114 79 W HA 0.600 5.260 4.660 -0.000 0.000 0.279 79 W C -0.136 176.405 176.519 0.037 0.000 1.277 79 W CA 0.134 57.456 57.345 -0.037 0.000 1.630 79 W CB 0.179 29.532 29.460 -0.179 0.000 1.087 79 W HN 0.390 nan 8.180 nan 0.000 0.637 80 G N 0.963 109.544 108.800 -0.365 0.000 2.325 80 G HA2 0.409 4.369 3.960 -0.000 0.000 0.297 80 G HA3 0.409 4.369 3.960 -0.000 0.000 0.297 80 G C -2.112 172.535 174.900 -0.421 0.000 1.448 80 G CA -1.071 43.897 45.100 -0.220 0.000 0.838 80 G HN 0.041 nan 8.290 nan 0.000 0.579 81 I N 1.456 121.914 120.570 -0.187 0.000 2.537 81 I HA 0.471 4.641 4.170 -0.000 0.000 0.276 81 I C 0.097 176.175 176.117 -0.064 0.000 1.063 81 I CA -0.893 60.314 61.300 -0.155 0.000 1.144 81 I CB 1.467 39.408 38.000 -0.098 0.000 1.252 81 I HN 0.573 nan 8.210 nan 0.000 0.480 82 V N 2.062 121.942 119.914 -0.057 0.000 3.040 82 V HA 0.677 4.797 4.120 -0.000 0.000 0.312 82 V C -0.646 175.489 176.094 0.068 0.000 1.115 82 V CA -1.072 61.255 62.300 0.045 0.000 0.998 82 V CB 2.156 34.061 31.823 0.136 0.000 1.042 82 V HN 0.487 nan 8.190 nan 0.000 0.433 83 K N 1.724 122.179 120.400 0.092 0.000 2.183 83 K HA 0.911 5.231 4.320 -0.000 0.000 0.274 83 K C -0.449 176.218 176.600 0.112 0.000 1.009 83 K CA 0.653 57.005 56.287 0.108 0.000 0.888 83 K CB 1.014 33.590 32.500 0.127 0.000 1.078 83 K HN 1.665 nan 8.250 nan 0.000 0.459 84 A N 3.122 126.013 122.820 0.119 0.000 2.544 84 A HA 0.385 4.705 4.320 -0.000 0.000 0.291 84 A C -1.756 175.898 177.584 0.117 0.000 1.055 84 A CA -0.961 51.144 52.037 0.114 0.000 0.651 84 A CB 0.693 19.773 19.000 0.133 0.000 1.296 84 A HN 0.663 nan 8.150 nan 0.000 0.431 85 D N 0.323 120.786 120.400 0.106 0.000 2.253 85 D HA 0.623 5.263 4.640 -0.000 0.000 0.249 85 D C -0.523 175.847 176.300 0.117 0.000 1.049 85 D CA 0.327 54.390 54.000 0.105 0.000 0.929 85 D CB 1.404 42.258 40.800 0.091 0.000 1.176 85 D HN 0.441 nan 8.370 nan 0.000 0.437 86 I N 0.590 121.231 120.570 0.117 0.000 2.436 86 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 86 I C 0.619 176.812 176.117 0.127 0.000 1.010 86 I CA -0.810 60.569 61.300 0.131 0.000 1.098 86 I CB 2.153 40.233 38.000 0.134 0.000 1.266 86 I HN 0.194 nan 8.210 nan 0.000 0.434 87 G N 5.235 114.136 108.800 0.168 0.000 2.356 87 G HA2 0.629 4.589 3.960 -0.000 0.000 0.322 87 G HA3 0.629 4.589 3.960 -0.000 0.000 0.322 87 G C -0.998 174.020 174.900 0.198 0.000 1.125 87 G CA -0.366 44.840 45.100 0.177 0.000 0.885 87 G HN 0.337 nan 8.290 nan 0.000 0.467 88 V N 1.952 121.933 119.914 0.111 0.000 2.531 88 V HA 0.615 4.735 4.120 -0.000 0.000 0.301 88 V C -0.138 175.984 176.094 0.047 0.000 1.034 88 V CA -0.820 61.546 62.300 0.109 0.000 0.865 88 V CB 1.744 33.613 31.823 0.077 0.000 0.995 88 V HN 0.823 nan 8.190 nan 0.000 0.424 89 K N 2.987 123.439 120.400 0.088 0.000 2.513 89 K HA 0.432 4.752 4.320 -0.000 0.000 0.251 89 K C -0.674 175.972 176.600 0.078 0.000 0.939 89 K CA -0.487 55.813 56.287 0.022 0.000 0.793 89 K CB 1.485 33.939 32.500 -0.077 0.000 1.241 89 K HN 0.666 nan 8.250 nan 0.000 0.431 90 D N 2.969 123.401 120.400 0.054 0.000 2.837 90 D HA -0.188 4.452 4.640 -0.000 0.000 0.230 90 D C 0.598 176.959 176.300 0.100 0.000 1.152 90 D CA 1.846 55.894 54.000 0.081 0.000 0.736 90 D CB -1.174 39.678 40.800 0.087 0.000 1.084 90 D HN 1.101 nan 8.370 nan 0.000 0.429 91 G N -0.561 108.295 108.800 0.092 0.000 2.184 91 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 91 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 91 G C 0.346 175.300 174.900 0.089 0.000 0.975 91 G CA 0.703 45.860 45.100 0.095 0.000 0.642 91 G HN 0.536 nan 8.290 nan 0.000 0.536 92 R N -0.834 119.727 120.500 0.101 0.000 2.854 92 R HA 0.639 4.979 4.340 -0.000 0.000 0.271 92 R C 0.076 176.456 176.300 0.134 0.000 0.996 92 R CA -1.187 54.977 56.100 0.107 0.000 0.961 92 R CB 1.388 31.748 30.300 0.100 0.000 1.182 92 R HN 0.163 nan 8.270 nan 0.000 0.479 93 I N 2.423 123.067 120.570 0.123 0.000 2.505 93 I HA -0.069 4.101 4.170 -0.000 0.000 0.287 93 I C 0.960 177.165 176.117 0.146 0.000 1.104 93 I CA 0.320 61.701 61.300 0.135 0.000 1.387 93 I CB 0.229 38.295 38.000 0.111 0.000 1.404 93 I HN 0.605 nan 8.210 nan 0.000 0.528 94 F N 6.908 126.880 119.950 0.038 0.000 2.188 94 F HA 0.402 4.929 4.527 -0.000 0.000 0.289 94 F C 1.017 176.829 175.800 0.020 0.000 1.082 94 F CA 0.744 58.760 58.000 0.027 0.000 1.282 94 F CB 0.321 39.337 39.000 0.025 0.000 1.060 94 F HN 0.462 nan 8.300 nan 0.000 0.493 95 A N -0.260 122.620 122.820 0.101 0.000 2.601 95 A HA 0.612 4.932 4.320 -0.000 0.000 0.291 95 A C -1.639 175.995 177.584 0.083 0.000 1.075 95 A CA -0.572 51.455 52.037 -0.016 0.000 0.671 95 A CB 0.587 19.574 19.000 -0.022 0.000 1.277 95 A HN 0.108 nan 8.150 nan 0.000 0.417 96 I N 1.487 122.079 120.570 0.037 0.000 2.448 96 I HA 0.620 4.790 4.170 -0.000 0.000 0.281 96 I C 0.651 176.804 176.117 0.061 0.000 1.027 96 I CA 0.264 61.613 61.300 0.081 0.000 1.111 96 I CB 1.582 39.632 38.000 0.084 0.000 1.236 96 I HN 1.046 nan 8.210 nan 0.000 0.452 97 G N 5.202 114.051 108.800 0.081 0.000 2.795 97 G HA2 0.256 4.216 3.960 -0.000 0.000 0.127 97 G HA3 0.256 4.216 3.960 -0.000 0.000 0.127 97 G C -1.492 173.445 174.900 0.061 0.000 1.203 97 G CA -0.361 44.775 45.100 0.060 0.000 1.145 97 G HN 0.254 nan 8.290 nan 0.000 0.580 98 K N 1.113 121.544 120.400 0.052 0.000 2.425 98 K HA 0.701 5.021 4.320 -0.000 0.000 0.259 98 K C -0.326 176.307 176.600 0.054 0.000 0.978 98 K CA -0.319 55.993 56.287 0.042 0.000 0.883 98 K CB 1.113 33.623 32.500 0.017 0.000 1.110 98 K HN 0.737 nan 8.250 nan 0.000 0.436 99 A N 2.478 125.333 122.820 0.060 0.000 2.286 99 A HA 0.842 5.162 4.320 -0.000 0.000 0.286 99 A C 0.362 177.975 177.584 0.048 0.000 1.097 99 A CA 0.423 52.495 52.037 0.059 0.000 0.821 99 A CB 0.810 19.848 19.000 0.062 0.000 1.076 99 A HN 0.905 nan 8.150 nan 0.000 0.490 100 G N 0.130 108.956 108.800 0.042 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 -1.541 173.377 174.900 0.030 0.000 1.312 100 G CA -0.293 44.830 45.100 0.038 0.000 0.922 100 G HN 1.039 nan 8.290 nan 0.000 0.480 101 N N 0.894 119.611 118.700 0.029 0.000 2.479 101 N HA 0.596 5.336 4.740 -0.000 0.000 0.261 101 N C -1.682 173.841 175.510 0.022 0.000 0.979 101 N CA -2.309 50.755 53.050 0.023 0.000 0.930 101 N CB 2.431 40.932 38.487 0.023 0.000 1.172 101 N HN 0.016 nan 8.380 nan 0.000 0.499 102 P HA -0.044 nan 4.420 nan 0.000 0.221 102 P C 0.288 177.598 177.300 0.017 0.000 1.145 102 P CA 0.847 63.959 63.100 0.020 0.000 0.795 102 P CB 0.458 32.171 31.700 0.021 0.000 0.775 103 D N -0.691 119.718 120.400 0.016 0.000 2.144 103 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 103 D C 1.670 177.979 176.300 0.015 0.000 0.984 103 D CA 1.226 55.235 54.000 0.014 0.000 0.834 103 D CB -0.147 40.661 40.800 0.013 0.000 0.955 103 D HN 0.353 nan 8.370 nan 0.000 0.465 104 I N -3.668 116.912 120.570 0.017 0.000 4.439 104 I HA 0.243 4.413 4.170 -0.000 0.000 0.331 104 I C -0.011 176.117 176.117 0.018 0.000 1.345 104 I CA -0.411 60.899 61.300 0.017 0.000 1.193 104 I CB 0.399 38.410 38.000 0.019 0.000 1.221 104 I HN -0.315 nan 8.210 nan 0.000 0.429 105 Q N 3.356 123.168 119.800 0.019 0.000 2.301 105 Q HA 0.566 4.906 4.340 -0.000 0.000 0.267 105 Q C -2.577 173.432 176.000 0.015 0.000 1.035 105 Q CA -2.007 53.807 55.803 0.018 0.000 0.856 105 Q CB 2.165 30.916 28.738 0.021 0.000 1.337 105 Q HN 0.093 nan 8.270 nan 0.000 0.450 106 P HA 0.172 nan 4.420 nan 0.000 0.285 106 P C -1.039 176.265 177.300 0.006 0.000 1.269 106 P CA -0.297 62.808 63.100 0.008 0.000 0.844 106 P CB 0.695 32.398 31.700 0.005 0.000 1.094 107 N N -1.813 116.890 118.700 0.005 0.000 2.693 107 N HA -0.133 4.607 4.740 -0.000 0.000 0.249 107 N C -0.354 175.164 175.510 0.013 0.000 1.119 107 N CA 0.184 53.236 53.050 0.004 0.000 0.717 107 N CB -1.732 36.751 38.487 -0.008 0.000 1.071 107 N HN 0.156 nan 8.380 nan 0.000 0.555 108 V N 0.923 120.849 119.914 0.021 0.000 2.470 108 V HA 0.125 4.245 4.120 -0.000 0.000 0.276 108 V C 1.685 177.807 176.094 0.047 0.000 1.040 108 V CA 1.044 63.364 62.300 0.033 0.000 1.008 108 V CB 1.136 32.979 31.823 0.033 0.000 0.990 108 V HN 0.507 nan 8.190 nan 0.000 0.477 109 T N 1.676 116.267 114.554 0.061 0.000 2.971 109 T HA 0.385 4.735 4.350 -0.000 0.000 0.252 109 T C 0.330 175.124 174.700 0.156 0.000 1.022 109 T CA 0.168 62.320 62.100 0.087 0.000 0.980 109 T CB 0.158 69.061 68.868 0.059 0.000 1.044 109 T HN 0.344 nan 8.240 nan 0.000 0.501 110 I N 4.003 124.653 120.570 0.132 0.000 2.464 110 I HA 0.363 4.532 4.170 -0.000 0.000 0.277 110 I C -2.692 173.463 176.117 0.063 0.000 1.040 110 I CA -2.716 58.674 61.300 0.150 0.000 1.153 110 I CB 1.983 40.071 38.000 0.147 0.000 1.274 110 I HN -0.049 nan 8.210 nan 0.000 0.469 111 P HA 0.240 nan 4.420 nan 0.000 0.276 111 P C -0.552 176.726 177.300 -0.037 0.000 1.235 111 P CA 0.117 63.214 63.100 -0.005 0.000 0.772 111 P CB 1.297 32.989 31.700 -0.012 0.000 0.871 112 I N 2.642 123.203 120.570 -0.015 0.000 2.354 112 I HA 0.535 4.705 4.170 -0.000 0.000 0.292 112 I C 1.039 177.145 176.117 -0.018 0.000 0.989 112 I CA -0.152 61.136 61.300 -0.019 0.000 1.188 112 I CB 1.818 39.822 38.000 0.006 0.000 1.342 112 I HN 0.426 nan 8.210 nan 0.000 0.457 113 G N 2.904 111.685 108.800 -0.032 0.000 3.105 113 G HA2 0.550 4.509 3.960 -0.000 0.000 0.277 113 G HA3 0.550 4.509 3.960 -0.000 0.000 0.277 113 G C 0.569 175.454 174.900 -0.026 0.000 1.375 113 G CA 0.016 45.101 45.100 -0.025 0.000 0.962 113 G HN 0.609 nan 8.290 nan 0.000 0.541 114 A N -0.723 122.084 122.820 -0.022 0.000 1.978 114 A HA 0.208 4.528 4.320 -0.000 0.000 0.220 114 A C 2.374 179.935 177.584 -0.037 0.000 1.170 114 A CA 2.598 54.622 52.037 -0.022 0.000 0.636 114 A CB -0.650 18.339 19.000 -0.018 0.000 0.810 114 A HN 1.524 nan 8.150 nan 0.000 0.448 115 A N -0.859 121.933 122.820 -0.046 0.000 2.259 115 A HA 0.318 4.638 4.320 -0.000 0.000 0.208 115 A C 0.773 178.315 177.584 -0.069 0.000 1.201 115 A CA 0.670 52.673 52.037 -0.057 0.000 0.824 115 A CB -0.529 18.436 19.000 -0.058 0.000 0.838 115 A HN 0.280 nan 8.150 nan 0.000 0.485 116 T N 1.045 115.558 114.554 -0.068 0.000 2.744 116 T HA 0.403 4.753 4.350 -0.000 0.000 0.291 116 T C -0.231 174.410 174.700 -0.098 0.000 0.957 116 T CA -0.326 61.727 62.100 -0.078 0.000 1.002 116 T CB 1.347 70.174 68.868 -0.067 0.000 0.919 116 T HN 0.460 nan 8.240 nan 0.000 0.468 117 E N 2.595 122.732 120.200 -0.106 0.000 2.318 117 E HA 0.480 4.830 4.350 -0.000 0.000 0.265 117 E C -1.110 175.397 176.600 -0.155 0.000 1.069 117 E CA -0.572 55.742 56.400 -0.142 0.000 0.893 117 E CB 0.807 30.437 29.700 -0.117 0.000 1.076 117 E HN 0.315 nan 8.360 nan 0.000 0.414 118 V N 4.651 124.421 119.914 -0.239 0.000 2.588 118 V HA 0.436 4.556 4.120 -0.000 0.000 0.304 118 V C -0.305 175.682 176.094 -0.177 0.000 1.042 118 V CA -0.653 61.514 62.300 -0.221 0.000 0.877 118 V CB 1.568 33.184 31.823 -0.345 0.000 0.996 118 V HN 0.656 nan 8.190 nan 0.000 0.425 119 I N 3.617 124.143 120.570 -0.075 0.000 2.389 119 I HA 0.607 4.777 4.170 -0.000 0.000 0.288 119 I C 0.394 176.521 176.117 0.016 0.000 0.999 119 I CA -0.642 60.640 61.300 -0.030 0.000 1.129 119 I CB 1.888 39.882 38.000 -0.010 0.000 1.288 119 I HN 0.710 nan 8.210 nan 0.000 0.444 120 A N 5.072 127.915 122.820 0.040 0.000 2.350 120 A HA 0.612 4.932 4.320 -0.000 0.000 0.293 120 A C 0.713 178.337 177.584 0.067 0.000 1.231 120 A CA -0.132 51.949 52.037 0.074 0.000 0.883 120 A CB 0.424 19.483 19.000 0.098 0.000 1.133 120 A HN 0.887 nan 8.150 nan 0.000 0.533 121 A N 2.859 125.726 122.820 0.079 0.000 2.430 121 A HA 0.274 4.594 4.320 -0.000 0.000 0.243 121 A C 0.661 178.302 177.584 0.094 0.000 1.254 121 A CA -0.242 51.846 52.037 0.085 0.000 0.914 121 A CB -0.114 18.941 19.000 0.092 0.000 0.998 121 A HN 0.818 nan 8.150 nan 0.000 0.515 122 E N 0.172 120.426 120.200 0.090 0.000 2.493 122 E HA 0.280 4.630 4.350 -0.000 0.000 0.255 122 E C 0.848 177.489 176.600 0.068 0.000 0.999 122 E CA 0.618 57.071 56.400 0.088 0.000 0.934 122 E CB 0.061 29.800 29.700 0.066 0.000 0.940 122 E HN 0.933 nan 8.360 nan 0.000 0.473 123 G N 2.889 111.737 108.800 0.080 0.000 2.175 123 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 123 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 123 G C 0.003 174.956 174.900 0.089 0.000 0.982 123 G CA 0.235 45.378 45.100 0.072 0.000 0.641 123 G HN 0.480 nan 8.290 nan 0.000 0.527 124 K N -0.085 120.378 120.400 0.106 0.000 2.221 124 K HA 0.753 5.073 4.320 -0.000 0.000 0.243 124 K C -0.002 176.690 176.600 0.152 0.000 0.968 124 K CA -0.875 55.497 56.287 0.141 0.000 0.846 124 K CB 1.961 34.544 32.500 0.140 0.000 1.141 124 K HN 0.213 nan 8.250 nan 0.000 0.434 125 I N 1.462 122.165 120.570 0.221 0.000 2.377 125 I HA 0.245 4.415 4.170 -0.000 0.000 0.293 125 I C -0.447 175.890 176.117 0.366 0.000 0.987 125 I CA -1.062 60.377 61.300 0.231 0.000 1.185 125 I CB 1.746 39.860 38.000 0.190 0.000 1.341 125 I HN 0.004 nan 8.210 nan 0.000 0.455 126 V N 4.839 124.919 119.914 0.277 0.000 2.495 126 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 126 V C 0.105 176.378 176.094 0.299 0.000 1.031 126 V CA -0.374 62.091 62.300 0.275 0.000 0.871 126 V CB 1.928 33.856 31.823 0.175 0.000 0.988 126 V HN 0.907 nan 8.190 nan 0.000 0.432 127 T N 1.480 116.256 114.554 0.370 0.000 2.865 127 T HA 0.868 5.218 4.350 -0.000 0.000 0.294 127 T C -0.123 174.750 174.700 0.288 0.000 1.119 127 T CA -0.347 61.969 62.100 0.359 0.000 1.007 127 T CB 1.933 71.138 68.868 0.560 0.000 1.225 127 T HN 1.003 nan 8.240 nan 0.000 0.515 128 A N 0.350 123.324 122.820 0.256 0.000 2.346 128 A HA 0.701 5.021 4.320 -0.000 0.000 0.252 128 A C 0.944 178.681 177.584 0.254 0.000 1.089 128 A CA -0.138 52.033 52.037 0.224 0.000 0.797 128 A CB -0.630 18.492 19.000 0.205 0.000 1.047 128 A HN 1.381 nan 8.150 nan 0.000 0.494 129 G N -0.371 108.555 108.800 0.209 0.000 2.467 129 G HA2 0.482 4.442 3.960 -0.000 0.000 0.257 129 G HA3 0.482 4.442 3.960 -0.000 0.000 0.257 129 G C 0.514 175.571 174.900 0.261 0.000 1.227 129 G CA 0.188 45.415 45.100 0.213 0.000 0.835 129 G HN 1.124 nan 8.290 nan 0.000 0.556 130 G N -0.577 108.413 108.800 0.317 0.000 2.606 130 G HA2 0.466 4.426 3.960 -0.000 0.000 0.252 130 G HA3 0.466 4.426 3.960 -0.000 0.000 0.252 130 G C -0.335 174.713 174.900 0.246 0.000 1.206 130 G CA -0.534 44.796 45.100 0.384 0.000 0.861 130 G HN 0.635 nan 8.290 nan 0.000 0.561 131 I N 0.829 121.541 120.570 0.236 0.000 2.468 131 I HA 0.180 4.350 4.170 -0.000 0.000 0.284 131 I C -1.334 174.865 176.117 0.137 0.000 1.038 131 I CA -0.701 60.696 61.300 0.161 0.000 1.083 131 I CB 2.179 40.258 38.000 0.132 0.000 1.223 131 I HN 0.305 nan 8.210 nan 0.000 0.443 132 D N 4.625 125.080 120.400 0.093 0.000 2.329 132 D HA 0.219 4.859 4.640 -0.000 0.000 0.232 132 D C 0.773 177.090 176.300 0.028 0.000 1.088 132 D CA -0.181 53.851 54.000 0.054 0.000 0.835 132 D CB 1.592 42.394 40.800 0.003 0.000 1.078 132 D HN 0.612 nan 8.370 nan 0.000 0.495 133 T N 0.345 114.934 114.554 0.059 0.000 3.223 133 T HA 0.133 4.483 4.350 -0.000 0.000 0.259 133 T C 0.501 175.227 174.700 0.043 0.000 1.015 133 T CA -0.194 61.918 62.100 0.020 0.000 0.908 133 T CB -0.492 68.428 68.868 0.086 0.000 1.054 133 T HN 0.500 nan 8.240 nan 0.000 0.567 134 H N 0.581 119.543 119.070 -0.179 0.000 2.511 134 H HA 0.446 5.002 4.556 -0.000 0.000 0.228 134 H C -0.961 174.199 175.328 -0.281 0.000 1.424 134 H CA -0.919 54.888 56.048 -0.402 0.000 1.321 134 H CB -0.039 29.284 29.762 -0.730 0.000 1.720 134 H HN 0.191 nan 8.280 nan 0.000 0.512 135 I N 2.282 122.776 120.570 -0.126 0.000 2.359 135 I HA 0.160 4.330 4.170 -0.000 0.000 0.294 135 I C 0.206 176.110 176.117 -0.355 0.000 0.987 135 I CA -0.343 60.759 61.300 -0.330 0.000 1.225 135 I CB 1.238 38.781 38.000 -0.762 0.000 1.366 135 I HN 0.578 nan 8.210 nan 0.000 0.466 136 H N 5.415 124.314 119.070 -0.286 0.000 2.581 136 H HA 0.138 4.694 4.556 -0.000 0.000 0.308 136 H C -0.842 174.388 175.328 -0.162 0.000 1.040 136 H CA -0.379 55.592 56.048 -0.129 0.000 1.231 136 H CB 0.697 30.449 29.762 -0.017 0.000 1.396 136 H HN 0.545 nan 8.280 nan 0.000 0.467 137 W N 5.520 126.900 121.300 0.133 0.000 1.828 137 W HA 0.129 4.789 4.660 -0.000 0.000 0.470 137 W C 0.980 177.550 176.519 0.085 0.000 0.786 137 W CA -0.295 57.104 57.345 0.090 0.000 1.816 137 W CB -0.250 29.244 29.460 0.057 0.000 1.798 137 W HN 0.633 nan 8.180 nan 0.000 0.252 138 I N 1.446 122.179 120.570 0.271 0.000 2.703 138 I HA -0.047 4.123 4.170 -0.000 0.000 0.259 138 I C 1.024 177.252 176.117 0.185 0.000 1.151 138 I CA 0.587 62.009 61.300 0.205 0.000 1.470 138 I CB -0.067 38.045 38.000 0.187 0.000 1.112 138 I HN 0.265 nan 8.210 nan 0.000 0.437 139 C N -2.138 117.288 119.300 0.210 0.000 3.239 139 C HA 0.392 4.852 4.460 -0.000 0.000 0.329 139 C C -1.962 173.160 174.990 0.220 0.000 1.252 139 C CA -1.342 57.779 59.018 0.171 0.000 1.323 139 C CB 1.258 29.068 27.740 0.117 0.000 1.663 139 C HN -0.047 nan 8.230 nan 0.000 0.487 140 P HA -0.056 nan 4.420 nan 0.000 0.225 140 P C 1.052 178.442 177.300 0.149 0.000 1.156 140 P CA 1.475 64.664 63.100 0.149 0.000 0.787 140 P CB 0.233 31.970 31.700 0.062 0.000 0.802 141 Q N 0.158 120.028 119.800 0.116 0.000 2.364 141 Q HA -0.124 4.216 4.340 -0.000 0.000 0.209 141 Q C 2.353 178.411 176.000 0.096 0.000 0.977 141 Q CA 1.251 57.106 55.803 0.087 0.000 0.885 141 Q CB -0.817 27.957 28.738 0.059 0.000 0.941 141 Q HN 0.440 nan 8.270 nan 0.000 0.464 142 Q N -0.554 119.326 119.800 0.133 0.000 2.170 142 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 142 Q C 1.971 178.047 176.000 0.126 0.000 0.976 142 Q CA 1.194 57.060 55.803 0.105 0.000 0.858 142 Q CB -0.182 28.610 28.738 0.090 0.000 0.907 142 Q HN 0.490 nan 8.270 nan 0.000 0.433 143 A N 1.102 124.051 122.820 0.215 0.000 1.902 143 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 143 A C 1.892 179.541 177.584 0.108 0.000 1.181 143 A CA 1.629 53.790 52.037 0.206 0.000 0.623 143 A CB -0.448 18.693 19.000 0.236 0.000 0.818 143 A HN 0.438 nan 8.150 nan 0.000 0.443 144 E N -0.504 119.744 120.200 0.081 0.000 2.072 144 E HA -0.235 4.115 4.350 -0.000 0.000 0.191 144 E C 1.941 178.551 176.600 0.016 0.000 0.985 144 E CA 1.367 57.794 56.400 0.045 0.000 0.801 144 E CB -0.124 29.602 29.700 0.044 0.000 0.750 144 E HN 0.559 nan 8.360 nan 0.000 0.452 145 E N 0.326 120.537 120.200 0.018 0.000 2.058 145 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 145 E C 1.767 178.352 176.600 -0.026 0.000 0.997 145 E CA 1.590 57.983 56.400 -0.011 0.000 0.801 145 E CB -0.321 29.375 29.700 -0.006 0.000 0.746 145 E HN 0.371 nan 8.360 nan 0.000 0.450 146 A N 0.123 122.942 122.820 -0.001 0.000 1.898 146 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 146 A C 2.181 179.764 177.584 -0.001 0.000 1.181 146 A CA 1.368 53.404 52.037 -0.002 0.000 0.620 146 A CB -0.741 18.270 19.000 0.018 0.000 0.819 146 A HN 0.357 nan 8.150 nan 0.000 0.442 147 L N -0.030 121.198 121.223 0.009 0.000 2.017 147 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 147 L C 2.361 179.191 176.870 -0.067 0.000 1.073 147 L CA 1.844 56.683 54.840 -0.001 0.000 0.745 147 L CB -0.442 41.629 42.059 0.019 0.000 0.894 147 L HN 0.152 nan 8.230 nan 0.000 0.432 148 V N -0.355 119.484 119.914 -0.124 0.000 2.594 148 V HA -0.249 3.871 4.120 -0.000 0.000 0.253 148 V C 2.644 178.565 176.094 -0.288 0.000 1.069 148 V CA 1.677 63.789 62.300 -0.313 0.000 1.082 148 V CB -0.888 30.665 31.823 -0.451 0.000 0.680 148 V HN 0.772 nan 8.190 nan 0.000 0.469 149 S N -0.336 115.286 115.700 -0.130 0.000 2.489 149 S HA 0.222 4.692 4.470 -0.000 0.000 0.228 149 S C 1.550 176.185 174.600 0.059 0.000 0.995 149 S CA 0.879 59.064 58.200 -0.025 0.000 0.934 149 S CB 0.585 63.780 63.200 -0.008 0.000 0.771 149 S HN 1.189 nan 8.310 nan 0.000 0.522 150 G N -0.157 108.635 108.800 -0.012 0.000 2.148 150 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.157 150 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.157 150 G C -0.234 174.731 174.900 0.109 0.000 1.012 150 G CA -0.200 44.916 45.100 0.026 0.000 0.677 150 G HN 0.608 nan 8.290 nan 0.000 0.506 151 V N 1.851 121.810 119.914 0.075 0.000 2.370 151 V HA 0.585 4.705 4.120 -0.000 0.000 0.279 151 V C 1.380 177.535 176.094 0.101 0.000 1.029 151 V CA 0.601 62.964 62.300 0.104 0.000 0.870 151 V CB 1.399 33.264 31.823 0.070 0.000 0.984 151 V HN 0.599 nan 8.190 nan 0.000 0.451 152 T N -0.253 114.378 114.554 0.128 0.000 3.023 152 T HA 0.155 4.505 4.350 -0.000 0.000 0.253 152 T C 0.608 175.402 174.700 0.157 0.000 1.038 152 T CA -0.022 62.153 62.100 0.125 0.000 0.962 152 T CB 0.257 69.195 68.868 0.118 0.000 1.018 152 T HN 0.532 nan 8.240 nan 0.000 0.521 153 T N 2.310 116.969 114.554 0.175 0.000 2.881 153 T HA 0.673 5.023 4.350 -0.000 0.000 0.290 153 T C -1.044 173.770 174.700 0.190 0.000 1.000 153 T CA -0.571 61.660 62.100 0.219 0.000 0.978 153 T CB 1.763 70.773 68.868 0.237 0.000 0.997 153 T HN 0.188 nan 8.240 nan 0.000 0.443 154 M N 3.162 122.908 119.600 0.243 0.000 2.197 154 M HA 0.533 5.013 4.480 -0.000 0.000 0.301 154 M C -1.153 175.300 176.300 0.255 0.000 0.987 154 M CA -0.832 54.587 55.300 0.198 0.000 0.921 154 M CB 2.200 34.938 32.600 0.230 0.000 1.569 154 M HN 0.237 nan 8.290 nan 0.000 0.431 155 V N 2.549 122.519 119.914 0.094 0.000 2.495 155 V HA 1.007 5.127 4.120 -0.000 0.000 0.298 155 V C 0.256 176.346 176.094 -0.006 0.000 1.031 155 V CA -0.177 62.166 62.300 0.071 0.000 0.871 155 V CB 1.587 33.340 31.823 -0.118 0.000 0.988 155 V HN 1.072 nan 8.190 nan 0.000 0.432 156 G N 2.935 111.791 108.800 0.092 0.000 2.356 156 G HA2 0.671 4.631 3.960 -0.000 0.000 0.281 156 G HA3 0.671 4.631 3.960 -0.000 0.000 0.281 156 G C -0.620 174.379 174.900 0.165 0.000 1.246 156 G CA 0.137 45.225 45.100 -0.020 0.000 0.889 156 G HN 1.118 nan 8.290 nan 0.000 0.486 157 G N -2.079 106.781 108.800 0.101 0.000 2.692 157 G HA2 0.989 4.949 3.960 -0.000 0.000 0.291 157 G HA3 0.989 4.949 3.960 -0.000 0.000 0.291 157 G C -0.257 174.812 174.900 0.283 0.000 1.423 157 G CA 0.360 45.625 45.100 0.275 0.000 0.843 157 G HN 2.267 nan 8.290 nan 0.000 0.486 158 G N -1.768 107.205 108.800 0.289 0.000 2.350 158 G HA2 0.520 4.480 3.960 -0.000 0.000 0.304 158 G HA3 0.520 4.480 3.960 -0.000 0.000 0.304 158 G C 0.132 175.109 174.900 0.130 0.000 1.421 158 G CA 0.918 46.147 45.100 0.214 0.000 0.934 158 G HN 1.733 nan 8.290 nan 0.000 0.632 159 T N -2.814 111.746 114.554 0.011 0.000 3.058 159 T HA 0.640 4.990 4.350 -0.000 0.000 0.278 159 T C 1.265 175.964 174.700 -0.001 0.000 0.974 159 T CA 1.221 63.269 62.100 -0.086 0.000 0.893 159 T CB 0.563 69.120 68.868 -0.519 0.000 1.138 159 T HN 2.708 nan 8.240 nan 0.000 0.529 160 G N 2.392 111.220 108.800 0.048 0.000 2.298 160 G HA2 0.176 4.136 3.960 -0.000 0.000 0.309 160 G HA3 0.176 4.136 3.960 -0.000 0.000 0.309 160 G C -2.963 171.936 174.900 -0.001 0.000 1.279 160 G CA -0.448 44.688 45.100 0.061 0.000 1.042 160 G HN 0.052 nan 8.290 nan 0.000 0.480 161 P HA 0.482 nan 4.420 nan 0.000 0.226 161 P C -0.035 177.081 177.300 -0.307 0.000 1.783 161 P CA 0.996 64.055 63.100 -0.069 0.000 0.980 161 P CB 0.094 31.879 31.700 0.141 0.000 1.967 162 A N 1.215 123.764 122.820 -0.453 0.000 2.356 162 A HA 0.654 4.974 4.320 -0.000 0.000 0.323 162 A C 1.541 178.845 177.584 -0.468 0.000 1.119 162 A CA -0.214 51.627 52.037 -0.327 0.000 0.790 162 A CB 1.244 20.151 19.000 -0.155 0.000 1.273 162 A HN 0.211 nan 8.150 nan 0.000 0.452 163 A N 1.493 124.187 122.820 -0.210 0.000 1.903 163 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 163 A C 2.193 179.796 177.584 0.031 0.000 1.191 163 A CA 2.804 54.796 52.037 -0.076 0.000 0.638 163 A CB -1.349 17.428 19.000 -0.372 0.000 0.823 163 A HN 1.668 nan 8.150 nan 0.000 0.451 164 G N -1.670 107.123 108.800 -0.011 0.000 2.440 164 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 164 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 164 G C 1.552 176.544 174.900 0.153 0.000 1.154 164 G CA 1.694 46.856 45.100 0.104 0.000 0.767 164 G HN 0.465 nan 8.290 nan 0.000 0.552 165 T N -0.116 114.491 114.554 0.088 0.000 2.942 165 T HA 0.010 4.360 4.350 -0.000 0.000 0.265 165 T C 2.106 176.954 174.700 0.247 0.000 1.062 165 T CA 0.847 63.035 62.100 0.146 0.000 1.139 165 T CB -0.249 68.657 68.868 0.063 0.000 0.883 165 T HN 0.285 nan 8.240 nan 0.000 0.468 166 H N 1.317 120.470 119.070 0.139 0.000 2.387 166 H HA 0.094 4.650 4.556 -0.000 0.000 0.299 166 H C 2.383 177.657 175.328 -0.090 0.000 1.099 166 H CA 1.358 57.419 56.048 0.021 0.000 1.315 166 H CB -0.436 29.360 29.762 0.056 0.000 1.380 166 H HN 0.420 nan 8.280 nan 0.000 0.513 167 A N 0.066 122.972 122.820 0.143 0.000 1.997 167 A HA 0.096 4.416 4.320 -0.000 0.000 0.212 167 A C 1.267 178.916 177.584 0.108 0.000 1.178 167 A CA 1.019 53.068 52.037 0.020 0.000 0.698 167 A CB 0.083 19.100 19.000 0.028 0.000 0.842 167 A HN 0.455 nan 8.150 nan 0.000 0.458 168 T N -2.880 111.749 114.554 0.125 0.000 2.906 168 T HA 0.453 4.803 4.350 -0.000 0.000 0.295 168 T C -0.180 174.540 174.700 0.033 0.000 1.061 168 T CA 0.213 62.327 62.100 0.023 0.000 1.000 168 T CB 1.317 70.073 68.868 -0.187 0.000 1.103 168 T HN 0.294 nan 8.240 nan 0.000 0.486 169 T N 0.145 114.624 114.554 -0.126 0.000 4.058 169 T HA 0.463 4.813 4.350 -0.000 0.000 0.252 169 T C 0.032 174.753 174.700 0.035 0.000 1.264 169 T CA -0.674 61.295 62.100 -0.218 0.000 1.094 169 T CB -1.923 66.828 68.868 -0.195 0.000 1.316 169 T HN 0.711 nan 8.240 nan 0.000 0.872 170 C N 1.761 121.123 119.300 0.104 0.000 2.482 170 C HA 0.604 5.064 4.460 -0.000 0.000 0.317 170 C C 0.532 175.568 174.990 0.077 0.000 1.197 170 C CA -0.868 58.208 59.018 0.098 0.000 1.432 170 C CB 1.312 29.110 27.740 0.098 0.000 2.062 170 C HN 0.660 nan 8.230 nan 0.000 0.471 171 T N 4.458 119.050 114.554 0.064 0.000 3.029 171 T HA 0.294 4.644 4.350 -0.000 0.000 0.346 171 T C -2.676 172.050 174.700 0.044 0.000 1.211 171 T CA -0.760 61.379 62.100 0.064 0.000 1.009 171 T CB 0.195 69.125 68.868 0.104 0.000 1.084 171 T HN 0.436 nan 8.240 nan 0.000 0.536 172 P HA 0.363 nan 4.420 nan 0.000 0.269 172 P C 0.691 178.062 177.300 0.119 0.000 1.252 172 P CA 0.697 63.789 63.100 -0.013 0.000 0.780 172 P CB 0.148 31.794 31.700 -0.091 0.000 0.829 173 G N 5.350 114.189 108.800 0.065 0.000 2.787 173 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.685 173 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.685 173 G C -2.057 172.921 174.900 0.130 0.000 1.437 173 G CA -0.828 44.330 45.100 0.096 0.000 0.872 173 G HN 0.245 nan 8.290 nan 0.000 0.566 174 P HA -0.148 nan 4.420 nan 0.000 0.216 174 P C 1.647 179.012 177.300 0.107 0.000 1.157 174 P CA 2.269 65.421 63.100 0.087 0.000 0.880 174 P CB 0.009 31.753 31.700 0.074 0.000 0.791 175 W N -1.202 120.072 121.300 -0.044 0.000 2.378 175 W HA -0.160 4.500 4.660 -0.000 0.000 0.313 175 W C 2.312 178.761 176.519 -0.117 0.000 1.197 175 W CA 1.397 58.674 57.345 -0.114 0.000 1.304 175 W CB -1.080 28.261 29.460 -0.197 0.000 1.148 175 W HN -0.077 nan 8.180 nan 0.000 0.494 176 Y N -0.054 120.396 120.300 0.249 0.000 2.293 176 Y HA -0.212 4.338 4.550 -0.000 0.000 0.291 176 Y C 2.332 178.202 175.900 -0.050 0.000 1.137 176 Y CA 1.578 59.730 58.100 0.087 0.000 1.202 176 Y CB -0.399 38.165 38.460 0.174 0.000 0.990 176 Y HN -0.101 nan 8.280 nan 0.000 0.537 177 I N -1.095 119.549 120.570 0.123 0.000 2.179 177 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 177 I C 2.319 178.406 176.117 -0.050 0.000 1.088 177 I CA 1.338 62.663 61.300 0.042 0.000 1.357 177 I CB -0.471 37.556 38.000 0.045 0.000 1.051 177 I HN 0.061 nan 8.210 nan 0.000 0.409 178 S N 0.359 115.994 115.700 -0.109 0.000 2.370 178 S HA -0.216 4.254 4.470 -0.000 0.000 0.226 178 S C 2.086 176.536 174.600 -0.249 0.000 1.033 178 S CA 1.353 59.446 58.200 -0.178 0.000 1.011 178 S CB -0.293 62.772 63.200 -0.226 0.000 0.852 178 S HN 0.273 nan 8.310 nan 0.000 0.457 179 R N 0.893 121.176 120.500 -0.362 0.000 2.081 179 R HA 0.154 4.494 4.340 -0.000 0.000 0.235 179 R C 2.258 178.437 176.300 -0.202 0.000 1.131 179 R CA 1.219 57.094 56.100 -0.375 0.000 0.960 179 R CB -0.347 29.620 30.300 -0.554 0.000 0.856 179 R HN 0.306 nan 8.270 nan 0.000 0.436 180 M N -0.265 119.256 119.600 -0.132 0.000 2.254 180 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 180 M C 2.029 178.228 176.300 -0.168 0.000 1.066 180 M CA 1.223 56.437 55.300 -0.143 0.000 1.123 180 M CB -0.571 31.963 32.600 -0.110 0.000 1.388 180 M HN 0.163 nan 8.290 nan 0.000 0.425 181 L N -0.287 120.856 121.223 -0.132 0.000 2.093 181 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 181 L C 2.533 179.324 176.870 -0.133 0.000 1.085 181 L CA 1.204 55.973 54.840 -0.117 0.000 0.755 181 L CB -0.455 41.552 42.059 -0.087 0.000 0.904 181 L HN 0.395 nan 8.230 nan 0.000 0.435 182 Q N -0.438 119.275 119.800 -0.145 0.000 2.079 182 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 182 Q C 2.427 178.351 176.000 -0.127 0.000 0.974 182 Q CA 1.444 57.165 55.803 -0.138 0.000 0.840 182 Q CB -0.239 28.410 28.738 -0.148 0.000 0.898 182 Q HN 0.532 nan 8.270 nan 0.000 0.430 183 A N 1.307 124.043 122.820 -0.141 0.000 1.972 183 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 183 A C 2.315 179.808 177.584 -0.151 0.000 1.169 183 A CA 1.442 53.399 52.037 -0.134 0.000 0.635 183 A CB -0.706 18.204 19.000 -0.149 0.000 0.810 183 A HN 0.390 nan 8.150 nan 0.000 0.446 184 A N 0.021 122.728 122.820 -0.188 0.000 1.978 184 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 184 A C 1.682 179.209 177.584 -0.095 0.000 1.170 184 A CA 1.855 53.778 52.037 -0.190 0.000 0.636 184 A CB -0.563 18.325 19.000 -0.187 0.000 0.810 184 A HN 0.450 nan 8.150 nan 0.000 0.448 185 D N -0.157 120.204 120.400 -0.066 0.000 2.263 185 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 185 D C 1.829 178.199 176.300 0.118 0.000 0.971 185 D CA 1.334 55.345 54.000 0.018 0.000 0.867 185 D CB -0.102 40.655 40.800 -0.072 0.000 0.929 185 D HN 0.410 nan 8.370 nan 0.000 0.492 186 S N -0.410 115.312 115.700 0.036 0.000 2.527 186 S HA 0.095 4.565 4.470 -0.000 0.000 0.222 186 S C 0.969 175.572 174.600 0.005 0.000 0.985 186 S CA -0.023 58.195 58.200 0.030 0.000 0.921 186 S CB 0.483 63.684 63.200 0.001 0.000 0.772 186 S HN 0.186 nan 8.310 nan 0.000 0.529 187 L N 2.974 124.191 121.223 -0.009 0.000 2.307 187 L HA 0.333 4.673 4.340 -0.000 0.000 0.282 187 L C -1.844 175.042 176.870 0.025 0.000 1.051 187 L CA -2.128 52.712 54.840 0.001 0.000 0.804 187 L CB 0.949 42.989 42.059 -0.033 0.000 1.197 187 L HN -0.140 nan 8.230 nan 0.000 0.431 188 P HA 0.002 nan 4.420 nan 0.000 0.258 188 P C -0.361 176.976 177.300 0.061 0.000 1.403 188 P CA 0.325 63.449 63.100 0.039 0.000 0.826 188 P CB -0.093 31.624 31.700 0.029 0.000 1.414 189 V N -3.672 116.291 119.914 0.082 0.000 3.040 189 V HA 0.543 4.663 4.120 -0.000 0.000 0.312 189 V C -0.241 175.921 176.094 0.113 0.000 1.115 189 V CA -1.430 60.939 62.300 0.115 0.000 0.998 189 V CB 1.766 33.691 31.823 0.171 0.000 1.042 189 V HN -0.188 nan 8.190 nan 0.000 0.433 190 N N 1.936 120.718 118.700 0.136 0.000 2.518 190 N HA 0.572 5.312 4.740 -0.000 0.000 0.266 190 N C -0.718 174.943 175.510 0.252 0.000 1.196 190 N CA 0.158 53.283 53.050 0.125 0.000 0.947 190 N CB 1.281 39.901 38.487 0.222 0.000 1.098 190 N HN 0.726 nan 8.380 nan 0.000 0.450 191 I N -0.207 120.490 120.570 0.212 0.000 2.769 191 I HA 0.517 4.687 4.170 -0.000 0.000 0.298 191 I C 0.240 176.598 176.117 0.402 0.000 1.128 191 I CA -0.922 60.566 61.300 0.314 0.000 1.031 191 I CB 2.542 40.633 38.000 0.152 0.000 1.235 191 I HN 0.426 nan 8.210 nan 0.000 0.423 192 G N 5.403 114.447 108.800 0.407 0.000 2.701 192 G HA2 0.700 4.660 3.960 -0.000 0.000 0.300 192 G HA3 0.700 4.660 3.960 -0.000 0.000 0.300 192 G C -1.402 173.659 174.900 0.268 0.000 1.410 192 G CA -0.461 44.844 45.100 0.341 0.000 1.014 192 G HN 0.375 nan 8.290 nan 0.000 0.509 193 L N 1.217 122.564 121.223 0.208 0.000 2.344 193 L HA 0.621 4.961 4.340 -0.000 0.000 0.272 193 L C -0.163 176.798 176.870 0.152 0.000 1.035 193 L CA -0.934 54.028 54.840 0.202 0.000 0.807 193 L CB 1.842 43.986 42.059 0.142 0.000 1.237 193 L HN 0.210 nan 8.230 nan 0.000 0.442 194 L N 0.969 122.278 121.223 0.145 0.000 2.329 194 L HA 0.641 4.981 4.340 -0.000 0.000 0.279 194 L C 0.444 177.360 176.870 0.077 0.000 1.014 194 L CA -0.466 54.432 54.840 0.098 0.000 0.814 194 L CB 1.793 43.902 42.059 0.083 0.000 1.257 194 L HN 0.677 nan 8.230 nan 0.000 0.424 195 G N 1.101 109.928 108.800 0.045 0.000 2.531 195 G HA2 0.295 4.255 3.960 -0.000 0.000 0.313 195 G HA3 0.295 4.255 3.960 -0.000 0.000 0.313 195 G C -0.968 173.918 174.900 -0.024 0.000 1.238 195 G CA -0.573 44.536 45.100 0.015 0.000 0.994 195 G HN 0.526 nan 8.290 nan 0.000 0.493 196 K N 0.071 120.416 120.400 -0.092 0.000 2.310 196 K HA 0.297 4.617 4.320 -0.000 0.000 0.290 196 K C 1.035 177.556 176.600 -0.133 0.000 1.077 196 K CA -0.059 56.116 56.287 -0.187 0.000 0.922 196 K CB 0.510 32.748 32.500 -0.435 0.000 1.057 196 K HN 0.447 nan 8.250 nan 0.000 0.479 197 G N 3.540 112.297 108.800 -0.071 0.000 3.042 197 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.212 197 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.212 197 G C -0.048 174.832 174.900 -0.034 0.000 1.166 197 G CA -0.323 44.751 45.100 -0.044 0.000 0.767 197 G HN 0.631 nan 8.290 nan 0.000 0.546 198 N N 0.845 119.519 118.700 -0.042 0.000 2.605 198 N HA 0.414 5.154 4.740 -0.000 0.000 0.258 198 N C -0.936 174.561 175.510 -0.021 0.000 1.156 198 N CA 0.156 53.210 53.050 0.006 0.000 1.008 198 N CB 1.239 39.786 38.487 0.100 0.000 1.354 198 N HN 0.035 nan 8.380 nan 0.000 0.509 199 V N -0.776 119.129 119.914 -0.015 0.000 3.147 199 V HA 0.308 4.428 4.120 -0.000 0.000 0.299 199 V C 0.191 176.281 176.094 -0.007 0.000 1.302 199 V CA -0.954 61.336 62.300 -0.017 0.000 1.015 199 V CB 2.036 33.839 31.823 -0.034 0.000 1.086 199 V HN 0.283 nan 8.190 nan 0.000 0.437 200 S N 0.663 116.360 115.700 -0.003 0.000 2.568 200 S HA 0.166 4.636 4.470 -0.000 0.000 0.232 200 S C 0.203 174.800 174.600 -0.005 0.000 0.975 200 S CA 0.017 58.215 58.200 -0.002 0.000 0.949 200 S CB 0.002 63.204 63.200 0.002 0.000 0.829 200 S HN 0.829 nan 8.310 nan 0.000 0.479 201 Q N 1.671 121.465 119.800 -0.009 0.000 2.381 201 Q HA 0.418 4.758 4.340 -0.000 0.000 0.263 201 Q C -2.467 173.526 176.000 -0.012 0.000 1.030 201 Q CA -2.092 53.705 55.803 -0.009 0.000 0.772 201 Q CB 1.501 30.233 28.738 -0.010 0.000 1.232 201 Q HN -0.104 nan 8.270 nan 0.000 0.476 202 P HA -0.173 nan 4.420 nan 0.000 0.216 202 P C 0.183 177.477 177.300 -0.010 0.000 1.153 202 P CA 1.313 64.407 63.100 -0.010 0.000 0.858 202 P CB 0.347 32.042 31.700 -0.009 0.000 0.789 203 D N -0.723 119.671 120.400 -0.009 0.000 2.182 203 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 203 D C 1.900 178.194 176.300 -0.009 0.000 0.986 203 D CA 1.457 55.453 54.000 -0.008 0.000 0.847 203 D CB -0.482 40.314 40.800 -0.006 0.000 0.942 203 D HN 0.127 nan 8.370 nan 0.000 0.467 204 A N 0.352 123.163 122.820 -0.014 0.000 2.067 204 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 204 A C 2.322 179.893 177.584 -0.021 0.000 1.158 204 A CA 0.665 52.691 52.037 -0.019 0.000 0.661 204 A CB -0.370 18.614 19.000 -0.027 0.000 0.801 204 A HN 0.190 nan 8.150 nan 0.000 0.452 205 L N -1.584 119.628 121.223 -0.019 0.000 2.168 205 L HA -0.029 4.311 4.340 -0.000 0.000 0.203 205 L C 2.733 179.598 176.870 -0.009 0.000 1.078 205 L CA 0.673 55.502 54.840 -0.018 0.000 0.780 205 L CB -0.477 41.570 42.059 -0.019 0.000 0.939 205 L HN 0.295 nan 8.230 nan 0.000 0.451 206 R N 0.463 120.959 120.500 -0.007 0.000 2.105 206 R HA -0.190 4.149 4.340 -0.000 0.000 0.239 206 R C 2.082 178.383 176.300 0.002 0.000 1.135 206 R CA 1.476 57.575 56.100 -0.002 0.000 0.967 206 R CB -0.335 29.963 30.300 -0.003 0.000 0.861 206 R HN 0.468 nan 8.270 nan 0.000 0.442 207 E N 0.760 120.960 120.200 0.001 0.000 2.085 207 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 207 E C 2.152 178.758 176.600 0.010 0.000 0.994 207 E CA 1.187 57.591 56.400 0.006 0.000 0.801 207 E CB -0.034 29.669 29.700 0.006 0.000 0.743 207 E HN 0.444 nan 8.360 nan 0.000 0.453 208 Q N 0.256 120.060 119.800 0.008 0.000 2.084 208 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 208 Q C 2.401 178.412 176.000 0.018 0.000 0.978 208 Q CA 1.293 57.104 55.803 0.014 0.000 0.844 208 Q CB 0.044 28.784 28.738 0.004 0.000 0.898 208 Q HN 0.168 nan 8.270 nan 0.000 0.426 209 V N 0.854 120.777 119.914 0.015 0.000 2.358 209 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 209 V C 2.221 178.328 176.094 0.021 0.000 1.047 209 V CA 1.714 64.026 62.300 0.020 0.000 1.035 209 V CB -0.891 30.941 31.823 0.015 0.000 0.658 209 V HN 0.354 nan 8.190 nan 0.000 0.452 210 A N -0.063 122.766 122.820 0.015 0.000 2.067 210 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 210 A C 2.286 179.877 177.584 0.012 0.000 1.158 210 A CA 1.616 53.660 52.037 0.013 0.000 0.661 210 A CB -0.482 18.523 19.000 0.009 0.000 0.801 210 A HN 0.556 nan 8.150 nan 0.000 0.452 211 A N -2.063 120.766 122.820 0.015 0.000 2.119 211 A HA 0.405 4.725 4.320 -0.000 0.000 0.216 211 A C 1.732 179.323 177.584 0.011 0.000 1.152 211 A CA 1.586 53.631 52.037 0.012 0.000 0.708 211 A CB -0.370 18.641 19.000 0.018 0.000 0.805 211 A HN 1.593 nan 8.150 nan 0.000 0.460 212 G N -1.702 107.112 108.800 0.023 0.000 2.613 212 G HA2 0.013 3.973 3.960 -0.000 0.000 0.199 212 G HA3 0.013 3.973 3.960 -0.000 0.000 0.199 212 G C 0.333 175.265 174.900 0.054 0.000 0.991 212 G CA 0.072 45.192 45.100 0.032 0.000 0.756 212 G HN 1.403 nan 8.290 nan 0.000 0.515 213 V N 0.986 120.932 119.914 0.054 0.000 2.843 213 V HA 0.604 4.724 4.120 -0.000 0.000 0.305 213 V C 1.668 177.812 176.094 0.083 0.000 1.065 213 V CA 0.228 62.572 62.300 0.072 0.000 1.116 213 V CB 1.155 33.015 31.823 0.062 0.000 0.968 213 V HN 0.840 nan 8.190 nan 0.000 0.487 214 I N 0.211 120.846 120.570 0.108 0.000 3.928 214 I HA 0.763 4.933 4.170 -0.000 0.000 0.335 214 I C 0.654 176.841 176.117 0.116 0.000 1.325 214 I CA 0.349 61.718 61.300 0.116 0.000 1.107 214 I CB -0.152 37.935 38.000 0.144 0.000 1.014 214 I HN 0.898 nan 8.210 nan 0.000 0.400 215 G N 0.832 109.692 108.800 0.100 0.000 2.506 215 G HA2 0.619 4.579 3.960 -0.000 0.000 0.292 215 G HA3 0.619 4.579 3.960 -0.000 0.000 0.292 215 G C -1.668 173.261 174.900 0.048 0.000 1.425 215 G CA -0.689 44.464 45.100 0.088 0.000 0.788 215 G HN 0.079 nan 8.290 nan 0.000 0.490 219 H N 5.427 124.588 119.070 0.153 0.000 2.600 219 H HA 0.375 4.931 4.556 -0.000 0.000 0.357 219 H C 0.559 175.907 175.328 0.033 0.000 1.106 219 H CA -0.323 55.783 56.048 0.096 0.000 1.193 219 H CB 2.438 32.304 29.762 0.172 0.000 1.594 219 H HN 0.850 nan 8.280 nan 0.000 0.526 220 E N 2.299 122.418 120.200 -0.135 0.000 2.204 220 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 220 E C 0.062 176.688 176.600 0.042 0.000 0.990 220 E CA 1.435 57.821 56.400 -0.023 0.000 0.821 220 E CB 0.195 29.857 29.700 -0.063 0.000 0.750 220 E HN 0.453 nan 8.360 nan 0.000 0.477 221 D N 0.233 120.711 120.400 0.130 0.000 2.263 221 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 221 D C 0.560 176.748 176.300 -0.187 0.000 0.971 221 D CA 0.944 54.880 54.000 -0.106 0.000 0.867 221 D CB -0.213 40.407 40.800 -0.299 0.000 0.929 221 D HN 0.499 nan 8.370 nan 0.000 0.492 222 W N 0.308 121.658 121.300 0.083 0.000 3.127 222 W HA 0.411 5.071 4.660 -0.000 0.000 0.344 222 W C 0.584 177.123 176.519 0.034 0.000 1.151 222 W CA -0.100 57.272 57.345 0.045 0.000 1.765 222 W CB 0.790 30.275 29.460 0.041 0.000 1.085 222 W HN -0.078 nan 8.180 nan 0.000 0.596 223 G N 1.381 110.304 108.800 0.206 0.000 2.780 223 G HA2 0.088 4.048 3.960 -0.000 0.000 0.364 223 G HA3 0.088 4.048 3.960 -0.000 0.000 0.364 223 G C -0.291 174.672 174.900 0.105 0.000 1.045 223 G CA -0.608 44.565 45.100 0.123 0.000 1.202 223 G HN 0.421 nan 8.290 nan 0.000 0.534 224 A N 2.379 125.241 122.820 0.071 0.000 3.126 224 A HA 0.702 5.022 4.320 -0.000 0.000 0.268 224 A C 1.191 178.798 177.584 0.039 0.000 1.605 224 A CA 0.780 52.851 52.037 0.057 0.000 1.305 224 A CB -0.432 18.594 19.000 0.043 0.000 1.160 224 A HN 2.007 nan 8.150 nan 0.000 0.609 225 T N -2.071 112.507 114.554 0.039 0.000 2.918 225 T HA 0.451 4.801 4.350 -0.000 0.000 0.283 225 T C -1.896 172.820 174.700 0.027 0.000 1.001 225 T CA -1.729 60.388 62.100 0.029 0.000 1.041 225 T CB 1.167 70.048 68.868 0.022 0.000 1.028 225 T HN 0.086 nan 8.240 nan 0.000 0.511 226 P HA -0.053 nan 4.420 nan 0.000 0.218 226 P C 1.587 178.893 177.300 0.009 0.000 1.148 226 P CA 1.367 64.477 63.100 0.016 0.000 0.822 226 P CB -0.218 31.488 31.700 0.010 0.000 0.784 227 A N -0.021 122.804 122.820 0.009 0.000 1.873 227 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 227 A C 2.324 179.912 177.584 0.007 0.000 1.186 227 A CA 2.071 54.111 52.037 0.006 0.000 0.616 227 A CB -1.600 17.403 19.000 0.006 0.000 0.823 227 A HN 0.186 nan 8.150 nan 0.000 0.442 228 A N -0.098 122.730 122.820 0.014 0.000 1.877 228 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 228 A C 2.141 179.730 177.584 0.009 0.000 1.186 228 A CA 1.555 53.601 52.037 0.015 0.000 0.620 228 A CB -0.658 18.360 19.000 0.031 0.000 0.822 228 A HN 0.489 nan 8.150 nan 0.000 0.443 229 I N -0.227 120.349 120.570 0.011 0.000 2.163 229 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 229 I C 2.347 178.459 176.117 -0.008 0.000 1.085 229 I CA 2.025 63.326 61.300 0.001 0.000 1.347 229 I CB -0.397 37.606 38.000 0.006 0.000 1.044 229 I HN 0.441 nan 8.210 nan 0.000 0.408 230 D N 0.020 120.417 120.400 -0.006 0.000 2.117 230 D HA -0.239 4.401 4.640 -0.000 0.000 0.197 230 D C 2.302 178.595 176.300 -0.011 0.000 0.987 230 D CA 1.302 55.297 54.000 -0.010 0.000 0.829 230 D CB -0.174 40.622 40.800 -0.007 0.000 0.961 230 D HN 0.407 nan 8.370 nan 0.000 0.460 231 C N 0.005 119.300 119.300 -0.008 0.000 2.432 231 C HA 0.030 4.490 4.460 -0.000 0.000 0.277 231 C C 2.900 177.882 174.990 -0.013 0.000 1.249 231 C CA 1.563 60.575 59.018 -0.009 0.000 1.725 231 C CB -1.482 26.254 27.740 -0.008 0.000 2.028 231 C HN 0.451 nan 8.230 nan 0.000 0.477 232 A N 0.004 122.816 122.820 -0.015 0.000 1.902 232 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 232 A C 2.176 179.745 177.584 -0.024 0.000 1.181 232 A CA 1.755 53.780 52.037 -0.020 0.000 0.623 232 A CB -0.675 18.312 19.000 -0.022 0.000 0.818 232 A HN 0.678 nan 8.150 nan 0.000 0.443 233 L N -0.926 120.282 121.223 -0.025 0.000 2.141 233 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 233 L C 2.741 179.596 176.870 -0.024 0.000 1.094 233 L CA 1.543 56.365 54.840 -0.029 0.000 0.763 233 L CB -0.716 41.325 42.059 -0.031 0.000 0.908 233 L HN 0.335 nan 8.230 nan 0.000 0.437 234 T N -0.562 113.981 114.554 -0.019 0.000 2.708 234 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 234 T C 1.973 176.664 174.700 -0.015 0.000 1.037 234 T CA 1.385 63.476 62.100 -0.016 0.000 1.146 234 T CB -0.137 68.724 68.868 -0.013 0.000 0.865 234 T HN 0.059 nan 8.240 nan 0.000 0.435 235 V N 1.603 121.508 119.914 -0.015 0.000 2.427 235 V HA -0.107 4.013 4.120 -0.000 0.000 0.248 235 V C 2.850 178.936 176.094 -0.014 0.000 1.051 235 V CA 1.480 63.772 62.300 -0.013 0.000 1.048 235 V CB -1.173 30.643 31.823 -0.012 0.000 0.666 235 V HN 0.509 nan 8.190 nan 0.000 0.456 236 A N -0.061 122.748 122.820 -0.019 0.000 1.908 236 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 236 A C 2.000 179.571 177.584 -0.022 0.000 1.181 236 A CA 2.107 54.131 52.037 -0.022 0.000 0.627 236 A CB -0.643 18.337 19.000 -0.033 0.000 0.818 236 A HN 0.507 nan 8.150 nan 0.000 0.445 237 D N -0.279 120.108 120.400 -0.022 0.000 2.218 237 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 237 D C 1.986 178.277 176.300 -0.017 0.000 0.976 237 D CA 1.535 55.523 54.000 -0.021 0.000 0.853 237 D CB -0.199 40.589 40.800 -0.020 0.000 0.939 237 D HN 0.881 nan 8.370 nan 0.000 0.481 238 E N -0.739 119.453 120.200 -0.014 0.000 2.340 238 E HA 0.048 4.398 4.350 -0.000 0.000 0.194 238 E C 1.561 178.156 176.600 -0.008 0.000 0.996 238 E CA 0.221 56.615 56.400 -0.010 0.000 0.869 238 E CB -0.010 29.685 29.700 -0.009 0.000 0.835 238 E HN 0.197 nan 8.360 nan 0.000 0.493 239 M N 0.852 120.448 119.600 -0.007 0.000 2.333 239 M HA 0.133 4.613 4.480 -0.000 0.000 0.257 239 M C -0.317 175.982 176.300 -0.001 0.000 1.078 239 M CA -0.045 55.254 55.300 -0.002 0.000 1.005 239 M CB 0.461 33.062 32.600 0.002 0.000 1.444 239 M HN -0.107 nan 8.290 nan 0.000 0.496 240 D N 2.770 123.166 120.400 -0.008 0.000 2.705 240 D HA -0.148 4.492 4.640 -0.000 0.000 0.240 240 D C -1.089 175.209 176.300 -0.003 0.000 1.137 240 D CA 0.581 54.575 54.000 -0.011 0.000 0.677 240 D CB -0.805 39.989 40.800 -0.010 0.000 1.049 240 D HN 0.489 nan 8.370 nan 0.000 0.427 241 I N -2.456 118.110 120.570 -0.007 0.000 3.002 241 I HA 0.735 4.905 4.170 -0.000 0.000 0.310 241 I C -0.011 176.089 176.117 -0.028 0.000 1.087 241 I CA -1.160 60.141 61.300 0.002 0.000 1.017 241 I CB 1.490 39.502 38.000 0.019 0.000 1.226 241 I HN -0.110 nan 8.210 nan 0.000 0.443 242 Q N 1.549 121.329 119.800 -0.034 0.000 2.214 242 Q HA 0.736 5.076 4.340 -0.000 0.000 0.251 242 Q C -1.445 174.511 176.000 -0.073 0.000 0.936 242 Q CA -0.620 55.116 55.803 -0.111 0.000 0.894 242 Q CB 1.900 30.448 28.738 -0.317 0.000 1.252 242 Q HN 0.655 nan 8.270 nan 0.000 0.448 243 V N 2.017 121.865 119.914 -0.110 0.000 2.513 243 V HA 0.856 4.976 4.120 -0.000 0.000 0.299 243 V C -0.763 175.209 176.094 -0.204 0.000 1.035 243 V CA -0.644 61.586 62.300 -0.117 0.000 0.889 243 V CB 1.504 33.269 31.823 -0.097 0.000 0.988 243 V HN 0.855 nan 8.190 nan 0.000 0.440 244 A N 5.016 127.641 122.820 -0.324 0.000 2.331 244 A HA 0.866 5.186 4.320 -0.000 0.000 0.320 244 A C -1.150 176.076 177.584 -0.596 0.000 1.138 244 A CA -0.463 51.126 52.037 -0.747 0.000 0.790 244 A CB 1.198 19.450 19.000 -1.247 0.000 1.206 244 A HN 0.784 nan 8.150 nan 0.000 0.470 245 L N 1.950 122.847 121.223 -0.543 0.000 2.334 245 L HA 0.631 4.971 4.340 -0.000 0.000 0.276 245 L C -0.486 176.298 176.870 -0.144 0.000 1.014 245 L CA -0.217 54.472 54.840 -0.251 0.000 0.815 245 L CB 1.649 43.626 42.059 -0.136 0.000 1.268 245 L HN 0.795 nan 8.230 nan 0.000 0.428 246 H N 2.912 121.911 119.070 -0.117 0.000 2.991 246 H HA 0.526 5.082 4.556 -0.000 0.000 0.304 246 H C -0.490 174.796 175.328 -0.071 0.000 1.040 246 H CA -0.349 55.684 56.048 -0.026 0.000 1.410 246 H CB 0.909 30.584 29.762 -0.146 0.000 1.529 246 H HN 0.833 nan 8.280 nan 0.000 0.509 247 S N 2.563 118.337 115.700 0.123 0.000 2.626 247 S HA -0.025 4.445 4.470 -0.000 0.000 0.257 247 S C 0.425 174.987 174.600 -0.062 0.000 1.288 247 S CA -0.846 57.378 58.200 0.039 0.000 0.980 247 S CB 0.923 64.169 63.200 0.077 0.000 0.975 247 S HN 0.738 nan 8.310 nan 0.000 0.577 248 D N 0.548 120.765 120.400 -0.306 0.000 2.385 248 D HA 0.158 4.798 4.640 -0.000 0.000 0.260 248 D C 0.979 176.997 176.300 -0.469 0.000 1.326 248 D CA 0.154 53.944 54.000 -0.350 0.000 1.023 248 D CB -0.150 40.469 40.800 -0.302 0.000 1.083 248 D HN 0.550 nan 8.370 nan 0.000 0.517 249 T N 3.545 118.006 114.554 -0.154 0.000 2.788 249 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 249 T C 1.952 176.682 174.700 0.051 0.000 1.044 249 T CA 0.760 62.843 62.100 -0.028 0.000 1.139 249 T CB 0.009 68.938 68.868 0.101 0.000 0.867 249 T HN 0.432 nan 8.240 nan 0.000 0.454 250 L N 0.959 122.203 121.223 0.035 0.000 2.456 250 L HA 0.039 4.379 4.340 -0.000 0.000 0.224 250 L C 0.694 177.587 176.870 0.038 0.000 1.148 250 L CA 0.211 55.071 54.840 0.034 0.000 0.825 250 L CB -0.723 41.309 42.059 -0.045 0.000 0.937 250 L HN 0.268 nan 8.230 nan 0.000 0.450 251 N N 0.121 118.841 118.700 0.032 0.000 2.714 251 N HA -0.270 4.470 4.740 -0.000 0.000 0.250 251 N C 1.128 176.588 175.510 -0.084 0.000 1.117 251 N CA 1.262 54.349 53.050 0.062 0.000 0.719 251 N CB -1.036 37.560 38.487 0.182 0.000 1.081 251 N HN 0.587 nan 8.380 nan 0.000 0.557 252 E N 0.541 120.704 120.200 -0.060 0.000 2.077 252 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 252 E C 1.507 178.060 176.600 -0.080 0.000 0.989 252 E CA 1.749 58.108 56.400 -0.070 0.000 0.800 252 E CB 0.118 29.785 29.700 -0.054 0.000 0.746 252 E HN 0.546 nan 8.360 nan 0.000 0.452 253 S N -1.291 114.374 115.700 -0.059 0.000 2.511 253 S HA 0.396 4.866 4.470 -0.000 0.000 0.214 253 S C 0.578 175.131 174.600 -0.078 0.000 0.997 253 S CA 0.045 58.215 58.200 -0.049 0.000 0.908 253 S CB 1.298 64.492 63.200 -0.010 0.000 0.803 253 S HN 0.412 nan 8.310 nan 0.000 0.504 254 G N -0.017 108.708 108.800 -0.125 0.000 2.341 254 G HA2 0.385 4.345 3.960 -0.000 0.000 0.293 254 G HA3 0.385 4.345 3.960 -0.000 0.000 0.293 254 G C -1.174 173.600 174.900 -0.211 0.000 1.298 254 G CA -1.121 43.837 45.100 -0.237 0.000 0.868 254 G HN 0.164 nan 8.290 nan 0.000 0.540 255 F N -1.135 118.819 119.950 0.007 0.000 2.377 255 F HA 0.534 5.061 4.527 -0.000 0.000 0.335 255 F C 1.867 177.265 175.800 -0.670 0.000 1.099 255 F CA 0.006 57.920 58.000 -0.143 0.000 1.072 255 F CB 1.254 40.208 39.000 -0.077 0.000 1.417 255 F HN 0.312 nan 8.300 nan 0.000 0.495 256 V N 1.442 120.987 119.914 -0.614 0.000 2.392 256 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 256 V C 2.235 178.161 176.094 -0.280 0.000 1.059 256 V CA 2.462 64.350 62.300 -0.686 0.000 1.051 256 V CB -0.623 31.047 31.823 -0.254 0.000 0.658 256 V HN 0.828 nan 8.190 nan 0.000 0.455 257 E N -1.031 119.102 120.200 -0.113 0.000 2.204 257 E HA -0.252 4.097 4.350 -0.000 0.000 0.195 257 E C 1.585 178.158 176.600 -0.044 0.000 0.990 257 E CA 1.659 58.030 56.400 -0.048 0.000 0.821 257 E CB -0.563 29.144 29.700 0.011 0.000 0.750 257 E HN 0.674 nan 8.360 nan 0.000 0.477 258 D N 0.905 121.278 120.400 -0.045 0.000 2.137 258 D HA -0.050 4.590 4.640 -0.000 0.000 0.202 258 D C 1.763 178.046 176.300 -0.028 0.000 0.970 258 D CA 1.455 55.440 54.000 -0.024 0.000 0.837 258 D CB -0.080 40.711 40.800 -0.016 0.000 0.981 258 D HN 0.178 nan 8.370 nan 0.000 0.475 259 T N 1.692 116.221 114.554 -0.041 0.000 2.708 259 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 259 T C 2.276 176.952 174.700 -0.041 0.000 1.037 259 T CA 0.560 62.669 62.100 0.016 0.000 1.146 259 T CB -0.260 68.686 68.868 0.131 0.000 0.865 259 T HN 0.081 nan 8.240 nan 0.000 0.435 260 L N 0.671 121.836 121.223 -0.097 0.000 2.079 260 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 260 L C 2.963 179.771 176.870 -0.103 0.000 1.081 260 L CA 1.254 56.002 54.840 -0.153 0.000 0.752 260 L CB -0.601 41.310 42.059 -0.246 0.000 0.896 260 L HN 0.245 nan 8.230 nan 0.000 0.433 261 A N -0.138 122.644 122.820 -0.063 0.000 1.898 261 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 261 A C 2.537 180.104 177.584 -0.028 0.000 1.181 261 A CA 1.576 53.592 52.037 -0.035 0.000 0.620 261 A CB -0.673 18.317 19.000 -0.017 0.000 0.819 261 A HN 0.390 nan 8.150 nan 0.000 0.442 262 A N 0.060 122.866 122.820 -0.023 0.000 1.933 262 A HA -0.091 4.228 4.320 -0.000 0.000 0.218 262 A C 2.085 179.655 177.584 -0.023 0.000 1.175 262 A CA 1.512 53.540 52.037 -0.016 0.000 0.628 262 A CB -0.637 18.360 19.000 -0.004 0.000 0.814 262 A HN 0.509 nan 8.150 nan 0.000 0.444 263 I N -0.472 120.077 120.570 -0.036 0.000 2.286 263 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 263 I C 1.765 177.858 176.117 -0.039 0.000 1.115 263 I CA 0.966 62.239 61.300 -0.044 0.000 1.392 263 I CB -0.752 37.208 38.000 -0.067 0.000 1.065 263 I HN 0.487 nan 8.210 nan 0.000 0.418 264 G N 1.101 109.878 108.800 -0.038 0.000 2.338 264 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.296 264 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.296 264 G C 0.968 175.855 174.900 -0.021 0.000 1.040 264 G CA 0.431 45.516 45.100 -0.025 0.000 1.004 264 G HN 0.962 nan 8.290 nan 0.000 0.509 265 G N -1.642 107.143 108.800 -0.024 0.000 2.166 265 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 265 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 265 G C 0.545 175.433 174.900 -0.019 0.000 0.986 265 G CA 1.101 46.195 45.100 -0.011 0.000 0.683 265 G HN 1.039 nan 8.290 nan 0.000 0.527 266 R N 0.358 120.840 120.500 -0.029 0.000 2.459 266 R HA 0.483 4.823 4.340 -0.000 0.000 0.281 266 R C 0.440 176.715 176.300 -0.042 0.000 1.050 266 R CA -0.205 55.875 56.100 -0.033 0.000 1.055 266 R CB 0.578 30.858 30.300 -0.033 0.000 1.045 266 R HN 0.139 nan 8.270 nan 0.000 0.495 267 T N 3.089 117.616 114.554 -0.046 0.000 2.908 267 T HA 0.165 4.515 4.350 -0.000 0.000 0.301 267 T C 0.121 174.779 174.700 -0.070 0.000 1.019 267 T CA 0.569 62.634 62.100 -0.058 0.000 1.152 267 T CB 0.011 68.840 68.868 -0.065 0.000 0.966 267 T HN 0.384 nan 8.240 nan 0.000 0.540 268 I N 1.792 122.318 120.570 -0.073 0.000 2.787 268 I HA 0.225 4.395 4.170 -0.000 0.000 0.294 268 I C -0.791 175.296 176.117 -0.049 0.000 1.365 268 I CA -0.843 60.410 61.300 -0.078 0.000 1.029 268 I CB 2.087 40.039 38.000 -0.081 0.000 1.313 268 I HN 0.737 nan 8.210 nan 0.000 0.431 269 H N 5.468 124.414 119.070 -0.206 0.000 2.594 269 H HA 0.410 4.966 4.556 -0.000 0.000 0.304 269 H C -0.745 174.443 175.328 -0.233 0.000 1.068 269 H CA -0.538 55.391 56.048 -0.197 0.000 1.308 269 H CB 0.943 30.581 29.762 -0.208 0.000 1.409 269 H HN 0.585 nan 8.280 nan 0.000 0.460 270 T N 3.659 118.271 114.554 0.097 0.000 2.728 270 T HA 0.188 4.538 4.350 -0.000 0.000 0.296 270 T C -0.055 174.652 174.700 0.010 0.000 0.940 270 T CA -0.795 61.271 62.100 -0.057 0.000 1.013 270 T CB 0.178 69.010 68.868 -0.060 0.000 0.912 270 T HN 0.198 nan 8.240 nan 0.000 0.484 271 F N 3.659 123.381 119.950 -0.382 0.000 2.410 271 F HA 0.234 4.761 4.527 -0.000 0.000 0.334 271 F C 1.549 176.960 175.800 -0.649 0.000 1.134 271 F CA -0.968 56.711 58.000 -0.536 0.000 1.227 271 F CB -0.143 38.402 39.000 -0.759 0.000 1.194 271 F HN 0.946 nan 8.300 nan 0.000 0.571 272 H N -1.021 118.219 119.070 0.284 0.000 2.041 272 H HA -0.203 4.353 4.556 -0.000 0.000 0.325 272 H C 0.754 176.163 175.328 0.134 0.000 0.902 272 H CA 0.468 56.626 56.048 0.182 0.000 1.073 272 H CB -2.440 27.391 29.762 0.115 0.000 1.583 272 H HN 0.513 nan 8.280 nan 0.000 0.331 273 T N -0.771 113.891 114.554 0.180 0.000 2.946 273 T HA -0.221 4.129 4.350 -0.000 0.000 0.271 273 T C 1.749 176.612 174.700 0.272 0.000 1.104 273 T CA 1.286 63.435 62.100 0.082 0.000 1.114 273 T CB 0.033 68.688 68.868 -0.356 0.000 0.867 273 T HN 0.706 nan 8.240 nan 0.000 0.513 274 E N 0.763 121.207 120.200 0.406 0.000 2.152 274 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 274 E C 1.912 178.583 176.600 0.119 0.000 0.983 274 E CA 1.138 57.704 56.400 0.277 0.000 0.818 274 E CB -0.254 29.554 29.700 0.181 0.000 0.758 274 E HN 0.579 nan 8.360 nan 0.000 0.467 275 G N -0.007 108.858 108.800 0.109 0.000 2.284 275 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.216 275 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.216 275 G C 1.384 176.218 174.900 -0.111 0.000 1.009 275 G CA 0.635 45.731 45.100 -0.006 0.000 0.625 275 G HN 0.559 nan 8.290 nan 0.000 0.501 276 A N 0.760 123.527 122.820 -0.089 0.000 1.940 276 A HA 0.293 4.613 4.320 -0.000 0.000 0.219 276 A C 2.635 180.138 177.584 -0.136 0.000 1.176 276 A CA 2.492 54.467 52.037 -0.104 0.000 0.631 276 A CB -0.894 18.055 19.000 -0.085 0.000 0.814 276 A HN 1.682 nan 8.150 nan 0.000 0.446 277 G N -1.693 106.961 108.800 -0.242 0.000 2.813 277 G HA2 0.438 4.398 3.960 -0.000 0.000 0.209 277 G HA3 0.438 4.398 3.960 -0.000 0.000 0.209 277 G C 0.672 175.017 174.900 -0.925 0.000 1.150 277 G CA 0.769 45.584 45.100 -0.475 0.000 0.785 277 G HN 1.636 nan 8.290 nan 0.000 0.535 278 G N -2.217 106.104 108.800 -0.798 0.000 2.351 278 G HA2 0.575 4.535 3.960 -0.000 0.000 0.472 278 G HA3 0.575 4.535 3.960 -0.000 0.000 0.472 278 G C -0.305 174.301 174.900 -0.489 0.000 1.570 278 G CA -0.057 44.574 45.100 -0.782 0.000 0.921 278 G HN 1.800 nan 8.290 nan 0.000 0.674 279 G N 0.456 109.107 108.800 -0.249 0.000 2.317 279 G HA2 0.474 4.434 3.960 -0.000 0.000 0.445 279 G HA3 0.474 4.434 3.960 -0.000 0.000 0.445 279 G C -0.436 174.451 174.900 -0.021 0.000 1.486 279 G CA -0.356 44.694 45.100 -0.084 0.000 0.991 279 G HN 1.460 nan 8.290 nan 0.000 0.660 280 H N 0.002 119.097 119.070 0.042 0.000 3.219 280 H HA 0.197 4.753 4.556 -0.000 0.000 0.283 280 H C 1.118 176.472 175.328 0.043 0.000 0.894 280 H CA 1.580 57.670 56.048 0.071 0.000 1.406 280 H CB 0.411 30.229 29.762 0.093 0.000 1.349 280 H HN 1.001 nan 8.280 nan 0.000 0.550 281 A N 6.959 129.867 122.820 0.146 0.000 2.328 281 A HA 0.277 4.597 4.320 -0.000 0.000 0.284 281 A C -1.461 176.169 177.584 0.077 0.000 1.160 281 A CA -1.217 50.849 52.037 0.048 0.000 0.818 281 A CB 0.698 19.718 19.000 0.033 0.000 1.087 281 A HN 0.542 nan 8.150 nan 0.000 0.504 282 P HA 0.147 nan 4.420 nan 0.000 0.291 282 P C -0.518 176.743 177.300 -0.064 0.000 1.388 282 P CA 0.205 63.207 63.100 -0.162 0.000 1.061 282 P CB 0.528 31.967 31.700 -0.436 0.000 1.534 283 D N -0.632 119.780 120.400 0.019 0.000 2.525 283 D HA 0.026 4.666 4.640 -0.000 0.000 0.229 283 D C 1.276 177.615 176.300 0.065 0.000 1.202 283 D CA -0.663 53.359 54.000 0.037 0.000 0.828 283 D CB -0.569 40.246 40.800 0.025 0.000 1.008 283 D HN -0.027 nan 8.370 nan 0.000 0.493 284 I N 0.487 121.112 120.570 0.092 0.000 2.567 284 I HA -0.084 4.086 4.170 -0.000 0.000 0.257 284 I C 1.679 177.851 176.117 0.092 0.000 1.184 284 I CA 0.717 62.083 61.300 0.110 0.000 1.451 284 I CB -0.179 37.897 38.000 0.127 0.000 1.089 284 I HN 0.205 nan 8.210 nan 0.000 0.441 285 I N 0.376 121.009 120.570 0.104 0.000 2.423 285 I HA -0.316 3.853 4.170 -0.000 0.000 0.254 285 I C 2.182 178.380 176.117 0.135 0.000 1.151 285 I CA 1.796 63.191 61.300 0.158 0.000 1.421 285 I CB -0.325 37.778 38.000 0.172 0.000 1.079 285 I HN 0.494 nan 8.210 nan 0.000 0.431 286 T N -1.346 113.268 114.554 0.099 0.000 3.025 286 T HA -0.019 4.331 4.350 -0.000 0.000 0.270 286 T C 1.833 176.616 174.700 0.138 0.000 1.126 286 T CA 0.758 62.919 62.100 0.102 0.000 1.105 286 T CB -0.506 68.414 68.868 0.086 0.000 0.884 286 T HN 0.400 nan 8.240 nan 0.000 0.522 287 A N 1.322 124.202 122.820 0.100 0.000 2.019 287 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 287 A C 2.674 180.329 177.584 0.119 0.000 1.164 287 A CA 1.379 53.473 52.037 0.095 0.000 0.644 287 A CB -1.566 17.430 19.000 -0.008 0.000 0.805 287 A HN 1.013 nan 8.150 nan 0.000 0.449 288 C N -1.707 117.613 119.300 0.033 0.000 2.460 288 C HA 0.391 4.851 4.460 -0.000 0.000 0.291 288 C C 2.383 177.389 174.990 0.027 0.000 1.493 288 C CA 0.066 59.071 59.018 -0.021 0.000 1.748 288 C CB -1.791 25.925 27.740 -0.039 0.000 1.656 288 C HN 0.642 nan 8.230 nan 0.000 0.576 289 A N -0.566 122.287 122.820 0.055 0.000 2.123 289 A HA 0.146 4.466 4.320 -0.000 0.000 0.214 289 A C 0.976 178.442 177.584 -0.195 0.000 1.152 289 A CA 0.227 52.216 52.037 -0.079 0.000 0.728 289 A CB -0.587 18.324 19.000 -0.149 0.000 0.814 289 A HN 0.857 nan 8.150 nan 0.000 0.464 290 H N -0.165 118.888 119.070 -0.028 0.000 2.511 290 H HA 0.165 4.721 4.556 -0.000 0.000 0.346 290 H C -1.611 173.695 175.328 -0.036 0.000 1.128 290 H CA -1.461 54.569 56.048 -0.030 0.000 1.342 290 H CB 1.128 30.872 29.762 -0.030 0.000 1.470 290 H HN 0.152 nan 8.280 nan 0.000 0.546 291 P HA -0.129 nan 4.420 nan 0.000 0.221 291 P C 0.779 178.086 177.300 0.011 0.000 1.150 291 P CA 1.044 64.154 63.100 0.018 0.000 0.800 291 P CB 0.364 32.068 31.700 0.007 0.000 0.787 292 N N -0.318 118.398 118.700 0.027 0.000 2.398 292 N HA 0.011 4.751 4.740 -0.000 0.000 0.188 292 N C 0.292 175.787 175.510 -0.025 0.000 1.122 292 N CA 0.177 53.223 53.050 -0.007 0.000 0.866 292 N CB -0.119 38.363 38.487 -0.009 0.000 0.970 292 N HN 0.108 nan 8.380 nan 0.000 0.462 293 I N 1.937 122.501 120.570 -0.011 0.000 2.321 293 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 293 I C -0.089 175.989 176.117 -0.065 0.000 0.998 293 I CA -0.843 60.435 61.300 -0.037 0.000 1.227 293 I CB 1.395 39.383 38.000 -0.019 0.000 1.368 293 I HN -0.064 nan 8.210 nan 0.000 0.466 294 L N 8.763 129.935 121.223 -0.085 0.000 2.283 294 L HA 0.397 4.737 4.340 -0.000 0.000 0.281 294 L C -2.303 174.495 176.870 -0.119 0.000 1.033 294 L CA -1.554 53.205 54.840 -0.135 0.000 0.848 294 L CB 1.055 42.994 42.059 -0.200 0.000 1.226 294 L HN 0.329 nan 8.230 nan 0.000 0.429 295 P HA 0.291 nan 4.420 nan 0.000 0.290 295 P C -0.878 176.303 177.300 -0.199 0.000 1.276 295 P CA -0.346 62.601 63.100 -0.255 0.000 0.808 295 P CB 1.905 33.276 31.700 -0.548 0.000 0.966 296 S N 1.496 117.185 115.700 -0.019 0.000 2.632 296 S HA 0.730 5.200 4.470 -0.000 0.000 0.289 296 S C -0.474 174.280 174.600 0.258 0.000 1.115 296 S CA -0.681 57.629 58.200 0.184 0.000 0.889 296 S CB 1.229 64.683 63.200 0.424 0.000 1.116 296 S HN 0.305 nan 8.310 nan 0.000 0.486 297 S N 1.151 117.096 115.700 0.410 0.000 2.578 297 S HA 0.808 5.278 4.470 -0.000 0.000 0.301 297 S C -0.096 174.648 174.600 0.239 0.000 1.091 297 S CA -0.733 57.722 58.200 0.427 0.000 1.032 297 S CB 1.627 65.169 63.200 0.571 0.000 1.064 297 S HN 0.999 nan 8.310 nan 0.000 0.508 298 T N -0.068 114.595 114.554 0.181 0.000 2.927 298 T HA 0.320 4.670 4.350 -0.000 0.000 0.281 298 T C 0.979 175.701 174.700 0.036 0.000 0.998 298 T CA -0.828 61.295 62.100 0.038 0.000 1.019 298 T CB 0.617 69.473 68.868 -0.019 0.000 1.061 298 T HN 0.573 nan 8.240 nan 0.000 0.518 299 N N 0.591 119.275 118.700 -0.028 0.000 2.409 299 N HA 0.014 4.754 4.740 -0.000 0.000 0.179 299 N C -0.860 174.650 175.510 -0.001 0.000 1.032 299 N CA -0.011 53.024 53.050 -0.025 0.000 0.898 299 N CB -1.437 37.011 38.487 -0.064 0.000 0.971 299 N HN 0.454 nan 8.380 nan 0.000 0.441 300 P HA -0.073 nan 4.420 nan 0.000 0.222 300 P C 0.578 177.982 177.300 0.173 0.000 1.147 300 P CA 1.376 64.522 63.100 0.077 0.000 0.790 300 P CB -0.260 31.455 31.700 0.024 0.000 0.780 301 T N -3.527 111.099 114.554 0.119 0.000 3.107 301 T HA 0.235 4.585 4.350 -0.000 0.000 0.249 301 T C 0.682 175.408 174.700 0.044 0.000 1.096 301 T CA -0.138 61.987 62.100 0.043 0.000 1.012 301 T CB -0.486 68.369 68.868 -0.022 0.000 0.977 301 T HN -0.011 nan 8.240 nan 0.000 0.527 302 L N 3.224 124.470 121.223 0.038 0.000 2.298 302 L HA 0.536 4.876 4.340 -0.000 0.000 0.284 302 L C -2.449 174.431 176.870 0.017 0.000 1.013 302 L CA -2.307 52.542 54.840 0.016 0.000 0.824 302 L CB 1.833 43.872 42.059 -0.034 0.000 1.221 302 L HN -0.005 nan 8.230 nan 0.000 0.418 303 P HA 0.133 nan 4.420 nan 0.000 0.292 303 P C -1.366 176.010 177.300 0.126 0.000 1.304 303 P CA -0.732 62.412 63.100 0.073 0.000 0.848 303 P CB 1.115 32.857 31.700 0.071 0.000 1.260 304 Y N 1.473 121.767 120.300 -0.009 0.000 2.605 304 Y HA 0.313 4.863 4.550 -0.000 0.000 0.336 304 Y C 0.331 176.229 175.900 -0.003 0.000 1.111 304 Y CA 0.299 58.389 58.100 -0.017 0.000 1.422 304 Y CB -0.627 37.820 38.460 -0.021 0.000 1.193 304 Y HN 0.410 nan 8.280 nan 0.000 0.526 305 T N 2.636 117.130 114.554 -0.100 0.000 2.858 305 T HA 0.377 4.727 4.350 -0.000 0.000 0.285 305 T C 0.979 175.533 174.700 -0.242 0.000 1.052 305 T CA -0.842 61.141 62.100 -0.195 0.000 1.009 305 T CB 0.784 69.618 68.868 -0.058 0.000 1.241 305 T HN 0.591 nan 8.240 nan 0.000 0.542 306 L N 0.506 121.628 121.223 -0.169 0.000 2.131 306 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 306 L C 2.065 178.907 176.870 -0.047 0.000 1.092 306 L CA 1.217 55.985 54.840 -0.119 0.000 0.759 306 L CB -0.445 41.567 42.059 -0.079 0.000 0.903 306 L HN 0.665 nan 8.230 nan 0.000 0.435 307 N N -1.362 117.326 118.700 -0.019 0.000 2.280 307 N HA -0.010 4.730 4.740 -0.000 0.000 0.192 307 N C 1.542 177.086 175.510 0.056 0.000 1.109 307 N CA 0.417 53.476 53.050 0.016 0.000 0.855 307 N CB 0.384 38.877 38.487 0.010 0.000 0.974 307 N HN 0.230 nan 8.380 nan 0.000 0.482 308 T N 2.250 116.849 114.554 0.075 0.000 2.607 308 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 308 T C 2.014 176.796 174.700 0.136 0.000 1.049 308 T CA 0.829 63.006 62.100 0.127 0.000 1.162 308 T CB 0.043 68.991 68.868 0.133 0.000 0.863 308 T HN 0.099 nan 8.240 nan 0.000 0.424 309 I N 1.955 122.580 120.570 0.090 0.000 2.127 309 I HA -0.160 4.009 4.170 -0.000 0.000 0.241 309 I C 2.148 178.317 176.117 0.086 0.000 1.075 309 I CA 1.680 63.018 61.300 0.062 0.000 1.334 309 I CB -1.530 36.509 38.000 0.065 0.000 1.040 309 I HN 0.292 nan 8.210 nan 0.000 0.405 310 D N 0.621 121.062 120.400 0.069 0.000 2.149 310 D HA -0.267 4.373 4.640 -0.000 0.000 0.194 310 D C 2.165 178.495 176.300 0.051 0.000 1.001 310 D CA 1.650 55.680 54.000 0.049 0.000 0.849 310 D CB -0.190 40.630 40.800 0.033 0.000 0.939 310 D HN 0.499 nan 8.370 nan 0.000 0.449 311 E N -0.252 119.991 120.200 0.072 0.000 2.106 311 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 311 E C 1.693 178.299 176.600 0.010 0.000 0.984 311 E CA 0.961 57.383 56.400 0.037 0.000 0.806 311 E CB 0.025 29.752 29.700 0.045 0.000 0.750 311 E HN 0.426 nan 8.360 nan 0.000 0.458 312 H N 0.655 119.703 119.070 -0.037 0.000 2.387 312 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 312 H C 2.150 177.440 175.328 -0.063 0.000 1.090 312 H CA 1.643 57.659 56.048 -0.054 0.000 1.332 312 H CB -0.211 29.519 29.762 -0.053 0.000 1.386 312 H HN 0.157 nan 8.280 nan 0.000 0.516 313 L N -0.040 121.219 121.223 0.059 0.000 2.051 313 L HA -0.252 4.088 4.340 -0.000 0.000 0.214 313 L C 1.778 178.635 176.870 -0.023 0.000 1.076 313 L CA 1.630 56.476 54.840 0.010 0.000 0.758 313 L CB -0.313 41.755 42.059 0.016 0.000 0.890 313 L HN 0.340 nan 8.230 nan 0.000 0.433 314 D N -0.847 119.530 120.400 -0.039 0.000 2.277 314 D HA -0.070 4.570 4.640 -0.000 0.000 0.209 314 D C 2.225 178.468 176.300 -0.095 0.000 0.970 314 D CA 0.648 54.614 54.000 -0.056 0.000 0.874 314 D CB 0.179 40.948 40.800 -0.052 0.000 0.982 314 D HN 0.306 nan 8.370 nan 0.000 0.504 315 M N 0.742 120.261 119.600 -0.135 0.000 2.149 315 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 315 M C 1.917 178.103 176.300 -0.189 0.000 1.064 315 M CA 0.940 56.122 55.300 -0.197 0.000 1.102 315 M CB 0.094 32.517 32.600 -0.295 0.000 1.369 315 M HN -0.020 nan 8.290 nan 0.000 0.408 316 L N 1.086 122.226 121.223 -0.139 0.000 1.989 316 L HA -0.254 4.085 4.340 -0.000 0.000 0.211 316 L C 2.320 179.149 176.870 -0.069 0.000 1.071 316 L CA 1.976 56.759 54.840 -0.094 0.000 0.749 316 L CB -1.128 40.877 42.059 -0.090 0.000 0.890 316 L HN 0.411 nan 8.230 nan 0.000 0.431 317 M N -1.008 118.560 119.600 -0.053 0.000 2.163 317 M HA -0.229 4.251 4.480 -0.000 0.000 0.258 317 M C 2.295 178.545 176.300 -0.083 0.000 1.071 317 M CA 1.759 57.047 55.300 -0.021 0.000 1.093 317 M CB -1.482 31.110 32.600 -0.013 0.000 1.285 317 M HN 0.123 nan 8.290 nan 0.000 0.420 318 V N 0.180 120.011 119.914 -0.138 0.000 2.282 318 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 318 V C 2.749 178.631 176.094 -0.355 0.000 1.057 318 V CA 2.059 64.237 62.300 -0.203 0.000 1.032 318 V CB -1.059 30.647 31.823 -0.194 0.000 0.645 318 V HN 0.722 nan 8.190 nan 0.000 0.447 319 C N 0.485 119.548 119.300 -0.396 0.000 2.413 319 C HA -0.215 4.245 4.460 -0.000 0.000 0.278 319 C C 2.559 177.115 174.990 -0.724 0.000 1.224 319 C CA 1.361 60.032 59.018 -0.578 0.000 1.732 319 C CB -1.325 26.013 27.740 -0.670 0.000 2.050 319 C HN 0.693 nan 8.230 nan 0.000 0.463 320 H N -0.052 118.853 119.070 -0.276 0.000 2.536 320 H HA 0.139 4.695 4.556 -0.000 0.000 0.276 320 H C 0.238 175.476 175.328 -0.149 0.000 1.019 320 H CA 0.832 56.764 56.048 -0.194 0.000 1.159 320 H CB -0.766 29.004 29.762 0.012 0.000 1.373 320 H HN 0.691 nan 8.280 nan 0.000 0.584 321 H N -0.831 118.271 119.070 0.053 0.000 2.756 321 H HA -0.155 4.401 4.556 -0.000 0.000 0.315 321 H C -0.049 175.311 175.328 0.053 0.000 1.210 321 H CA 0.340 56.406 56.048 0.031 0.000 1.150 321 H CB -2.305 27.464 29.762 0.011 0.000 1.463 321 H HN 0.322 nan 8.280 nan 0.000 0.427 322 L N 0.596 121.893 121.223 0.123 0.000 2.357 322 L HA 0.337 4.677 4.340 -0.000 0.000 0.273 322 L C 0.972 177.897 176.870 0.091 0.000 1.080 322 L CA -0.371 54.550 54.840 0.135 0.000 0.803 322 L CB 1.119 43.306 42.059 0.213 0.000 1.174 322 L HN 0.014 nan 8.230 nan 0.000 0.443 323 D N 3.271 123.718 120.400 0.078 0.000 2.373 323 D HA 0.206 4.846 4.640 -0.000 0.000 0.227 323 D C -1.630 174.703 176.300 0.055 0.000 1.091 323 D CA -1.950 52.082 54.000 0.053 0.000 0.840 323 D CB 1.925 42.747 40.800 0.037 0.000 1.060 323 D HN 0.222 nan 8.370 nan 0.000 0.502 324 P HA -0.082 nan 4.420 nan 0.000 0.225 324 P C 0.402 177.723 177.300 0.035 0.000 1.148 324 P CA 0.668 63.794 63.100 0.042 0.000 0.779 324 P CB 0.800 32.516 31.700 0.027 0.000 0.780 325 D N -0.083 120.335 120.400 0.029 0.000 2.277 325 D HA 0.089 4.729 4.640 -0.000 0.000 0.209 325 D C 1.102 177.415 176.300 0.023 0.000 0.970 325 D CA 0.270 54.283 54.000 0.023 0.000 0.874 325 D CB 0.020 40.830 40.800 0.017 0.000 0.982 325 D HN 0.247 nan 8.370 nan 0.000 0.504 326 I N 1.996 122.580 120.570 0.024 0.000 2.483 326 I HA 0.012 4.182 4.170 -0.000 0.000 0.291 326 I C 1.665 177.795 176.117 0.023 0.000 1.112 326 I CA -0.470 60.840 61.300 0.016 0.000 1.350 326 I CB 1.387 39.391 38.000 0.007 0.000 1.419 326 I HN -0.124 nan 8.210 nan 0.000 0.523 327 A N 5.577 128.409 122.820 0.019 0.000 1.903 327 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 327 A C 2.062 179.662 177.584 0.027 0.000 1.191 327 A CA 1.878 53.932 52.037 0.027 0.000 0.638 327 A CB -0.377 18.635 19.000 0.020 0.000 0.823 327 A HN 0.747 nan 8.150 nan 0.000 0.451 328 E N 0.044 120.239 120.200 -0.008 0.000 2.204 328 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 328 E C 1.351 177.890 176.600 -0.102 0.000 0.990 328 E CA 1.267 57.634 56.400 -0.056 0.000 0.821 328 E CB -0.240 29.404 29.700 -0.093 0.000 0.750 328 E HN 0.602 nan 8.360 nan 0.000 0.477 329 D N -1.092 119.285 120.400 -0.038 0.000 2.317 329 D HA -0.076 4.564 4.640 -0.000 0.000 0.211 329 D C 1.696 178.166 176.300 0.282 0.000 0.966 329 D CA 0.845 54.865 54.000 0.034 0.000 0.876 329 D CB 0.373 41.208 40.800 0.058 0.000 0.927 329 D HN 0.263 nan 8.370 nan 0.000 0.519 330 V N -2.790 117.244 119.914 0.201 0.000 3.379 330 V HA 0.379 4.499 4.120 -0.000 0.000 0.249 330 V C 2.103 178.327 176.094 0.216 0.000 1.184 330 V CA 0.580 63.002 62.300 0.203 0.000 1.106 330 V CB -0.126 31.762 31.823 0.109 0.000 0.826 330 V HN 0.014 nan 8.190 nan 0.000 0.465 331 A N 1.810 124.748 122.820 0.197 0.000 1.978 331 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 331 A C 1.864 179.600 177.584 0.252 0.000 1.170 331 A CA 1.876 54.016 52.037 0.171 0.000 0.636 331 A CB -0.981 18.088 19.000 0.115 0.000 0.810 331 A HN 1.035 nan 8.150 nan 0.000 0.448 332 F N -1.896 118.068 119.950 0.023 0.000 2.757 332 F HA 0.618 5.145 4.527 -0.000 0.000 0.292 332 F C 1.331 177.138 175.800 0.011 0.000 1.204 332 F CA -0.088 57.922 58.000 0.017 0.000 1.417 332 F CB -0.144 38.861 39.000 0.009 0.000 1.001 332 F HN 0.152 nan 8.300 nan 0.000 0.508 333 A N 0.986 123.799 122.820 -0.010 0.000 1.881 333 A HA 0.029 4.349 4.320 -0.000 0.000 0.210 333 A C 2.067 179.606 177.584 -0.075 0.000 1.239 333 A CA 0.503 52.462 52.037 -0.129 0.000 0.629 333 A CB -0.467 18.517 19.000 -0.027 0.000 0.906 333 A HN 0.470 nan 8.150 nan 0.000 0.460 334 E N 0.823 121.027 120.200 0.007 0.000 2.409 334 E HA -0.108 4.242 4.350 -0.000 0.000 0.198 334 E C 1.960 178.573 176.600 0.022 0.000 1.024 334 E CA 1.057 57.476 56.400 0.032 0.000 0.861 334 E CB -0.097 29.651 29.700 0.078 0.000 0.788 334 E HN 0.743 nan 8.360 nan 0.000 0.521 335 S N 0.050 115.748 115.700 -0.003 0.000 2.458 335 S HA 0.023 4.493 4.470 -0.000 0.000 0.223 335 S C 1.905 176.406 174.600 -0.165 0.000 1.019 335 S CA 0.057 58.229 58.200 -0.046 0.000 0.937 335 S CB 0.250 63.491 63.200 0.069 0.000 0.788 335 S HN 0.067 nan 8.310 nan 0.000 0.511 336 R N 0.189 120.582 120.500 -0.179 0.000 2.175 336 R HA 0.428 4.768 4.340 -0.000 0.000 0.202 336 R C -0.204 175.984 176.300 -0.186 0.000 1.018 336 R CA 0.311 56.282 56.100 -0.216 0.000 1.029 336 R CB 0.170 30.274 30.300 -0.325 0.000 0.959 336 R HN 0.390 nan 8.270 nan 0.000 0.480 337 I N 2.262 122.741 120.570 -0.153 0.000 2.306 337 I HA 0.275 4.445 4.170 -0.000 0.000 0.288 337 I C -0.751 175.296 176.117 -0.117 0.000 1.036 337 I CA -0.341 60.882 61.300 -0.129 0.000 1.221 337 I CB 1.457 39.411 38.000 -0.076 0.000 1.385 337 I HN -0.026 nan 8.210 nan 0.000 0.472 338 R N 4.979 125.390 120.500 -0.149 0.000 2.476 338 R HA 0.374 4.714 4.340 -0.000 0.000 0.305 338 R C 0.870 177.093 176.300 -0.128 0.000 0.965 338 R CA -0.805 55.230 56.100 -0.107 0.000 0.867 338 R CB 2.131 32.322 30.300 -0.183 0.000 1.176 338 R HN 0.493 nan 8.270 nan 0.000 0.447 339 R N 1.874 122.321 120.500 -0.089 0.000 2.103 339 R HA -0.233 4.107 4.340 -0.000 0.000 0.242 339 R C 0.616 176.766 176.300 -0.251 0.000 1.142 339 R CA 1.999 57.993 56.100 -0.176 0.000 0.960 339 R CB 0.241 30.519 30.300 -0.036 0.000 0.858 339 R HN 0.582 nan 8.270 nan 0.000 0.439 340 E N -0.501 119.638 120.200 -0.101 0.000 2.049 340 E HA -0.186 4.164 4.350 -0.000 0.000 0.198 340 E C 2.026 178.554 176.600 -0.120 0.000 1.007 340 E CA 2.397 58.753 56.400 -0.073 0.000 0.809 340 E CB -0.295 29.431 29.700 0.044 0.000 0.749 340 E HN 0.601 nan 8.360 nan 0.000 0.450 341 T N -1.208 113.274 114.554 -0.119 0.000 2.942 341 T HA 0.016 4.366 4.350 -0.000 0.000 0.265 341 T C 2.021 176.612 174.700 -0.182 0.000 1.062 341 T CA 0.591 62.619 62.100 -0.119 0.000 1.139 341 T CB -0.315 68.499 68.868 -0.089 0.000 0.883 341 T HN 0.036 nan 8.240 nan 0.000 0.468 342 I N 1.881 122.296 120.570 -0.258 0.000 2.226 342 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 342 I C 3.157 179.034 176.117 -0.400 0.000 1.100 342 I CA 1.293 62.401 61.300 -0.320 0.000 1.374 342 I CB -0.521 37.239 38.000 -0.399 0.000 1.057 342 I HN 0.344 nan 8.210 nan 0.000 0.413 343 A N 0.570 123.051 122.820 -0.564 0.000 1.929 343 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 343 A C 2.524 180.006 177.584 -0.169 0.000 1.176 343 A CA 1.556 53.328 52.037 -0.441 0.000 0.628 343 A CB -0.676 18.072 19.000 -0.420 0.000 0.816 343 A HN 0.416 nan 8.150 nan 0.000 0.444 344 A N -0.222 122.500 122.820 -0.164 0.000 1.930 344 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 344 A C 1.983 179.461 177.584 -0.177 0.000 1.175 344 A CA 1.697 53.661 52.037 -0.121 0.000 0.627 344 A CB -0.555 18.386 19.000 -0.098 0.000 0.815 344 A HN 0.669 nan 8.150 nan 0.000 0.443 345 E N 0.037 120.090 120.200 -0.245 0.000 2.114 345 E HA -0.305 4.045 4.350 -0.000 0.000 0.199 345 E C 1.284 177.737 176.600 -0.245 0.000 1.008 345 E CA 1.747 57.897 56.400 -0.416 0.000 0.810 345 E CB -0.202 29.317 29.700 -0.301 0.000 0.739 345 E HN 0.555 nan 8.360 nan 0.000 0.456 346 D N -0.178 120.178 120.400 -0.072 0.000 2.123 346 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 346 D C 2.039 178.376 176.300 0.063 0.000 0.992 346 D CA 1.313 55.341 54.000 0.047 0.000 0.833 346 D CB -0.222 40.621 40.800 0.071 0.000 0.954 346 D HN 0.127 nan 8.370 nan 0.000 0.455 347 V N 0.720 120.637 119.914 0.005 0.000 2.358 347 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 347 V C 2.564 178.653 176.094 -0.008 0.000 1.047 347 V CA 1.029 63.341 62.300 0.021 0.000 1.035 347 V CB -0.507 31.319 31.823 0.005 0.000 0.658 347 V HN 0.202 nan 8.190 nan 0.000 0.452 348 L N -0.782 120.372 121.223 -0.115 0.000 2.187 348 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 348 L C 2.456 179.241 176.870 -0.141 0.000 1.100 348 L CA 1.664 56.413 54.840 -0.151 0.000 0.765 348 L CB -0.691 41.181 42.059 -0.313 0.000 0.904 348 L HN 0.420 nan 8.230 nan 0.000 0.437 349 H N -1.077 117.912 119.070 -0.135 0.000 2.363 349 H HA -0.167 4.389 4.556 -0.000 0.000 0.301 349 H C 1.940 177.184 175.328 -0.140 0.000 1.074 349 H CA 1.563 57.547 56.048 -0.106 0.000 1.354 349 H CB 0.175 29.887 29.762 -0.084 0.000 1.397 349 H HN 0.180 nan 8.280 nan 0.000 0.516 350 D N -0.096 120.391 120.400 0.146 0.000 2.218 350 D HA -0.107 4.533 4.640 -0.000 0.000 0.204 350 D C 1.616 177.986 176.300 0.117 0.000 0.976 350 D CA 0.739 54.860 54.000 0.200 0.000 0.853 350 D CB 0.023 40.968 40.800 0.242 0.000 0.939 350 D HN 0.332 nan 8.370 nan 0.000 0.481 351 L N -1.575 119.691 121.223 0.072 0.000 2.509 351 L HA 0.234 4.574 4.340 -0.000 0.000 0.222 351 L C 1.595 178.504 176.870 0.065 0.000 1.123 351 L CA 0.516 55.399 54.840 0.073 0.000 0.856 351 L CB 0.082 42.172 42.059 0.052 0.000 0.985 351 L HN 0.225 nan 8.230 nan 0.000 0.456 352 G N -0.461 108.353 108.800 0.025 0.000 2.131 352 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.223 352 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.223 352 G C 0.882 175.798 174.900 0.028 0.000 0.990 352 G CA 0.351 45.464 45.100 0.022 0.000 0.671 352 G HN 0.381 nan 8.290 nan 0.000 0.521 353 A N -0.882 121.966 122.820 0.046 0.000 1.975 353 A HA 0.627 4.947 4.320 -0.000 0.000 0.215 353 A C 0.667 178.336 177.584 0.141 0.000 1.170 353 A CA 0.841 52.935 52.037 0.095 0.000 0.656 353 A CB 0.030 19.110 19.000 0.135 0.000 0.821 353 A HN 0.599 nan 8.150 nan 0.000 0.449 354 F N -0.004 119.784 119.950 -0.270 0.000 2.415 354 F HA 0.413 4.940 4.527 -0.000 0.000 0.348 354 F C 1.129 176.760 175.800 -0.283 0.000 1.119 354 F CA -0.844 56.925 58.000 -0.385 0.000 1.069 354 F CB 1.956 40.397 39.000 -0.932 0.000 1.124 354 F HN -0.014 nan 8.300 nan 0.000 0.472 355 S N 2.567 118.241 115.700 -0.043 0.000 2.511 355 S HA 0.341 4.811 4.470 -0.000 0.000 0.214 355 S C -0.137 174.489 174.600 0.043 0.000 0.997 355 S CA 0.026 58.218 58.200 -0.013 0.000 0.908 355 S CB 0.252 63.415 63.200 -0.061 0.000 0.803 355 S HN 0.266 nan 8.310 nan 0.000 0.504 356 L N 1.356 122.653 121.223 0.122 0.000 2.376 356 L HA 0.591 4.931 4.340 -0.000 0.000 0.258 356 L C -0.207 176.839 176.870 0.293 0.000 1.013 356 L CA -0.333 54.604 54.840 0.162 0.000 0.822 356 L CB 2.059 44.173 42.059 0.091 0.000 1.388 356 L HN 0.059 nan 8.230 nan 0.000 0.413 357 T N -1.977 112.706 114.554 0.214 0.000 2.893 357 T HA 0.951 5.301 4.350 -0.000 0.000 0.291 357 T C -0.437 174.342 174.700 0.132 0.000 1.028 357 T CA -0.517 61.681 62.100 0.163 0.000 0.995 357 T CB 1.858 70.755 68.868 0.049 0.000 1.051 357 T HN 0.761 nan 8.240 nan 0.000 0.470 358 S N 0.508 116.257 115.700 0.082 0.000 2.688 358 S HA 0.671 5.141 4.470 -0.000 0.000 0.275 358 S C 0.908 175.475 174.600 -0.054 0.000 1.175 358 S CA -0.102 58.119 58.200 0.034 0.000 0.818 358 S CB 1.115 64.355 63.200 0.066 0.000 1.157 358 S HN 1.149 nan 8.310 nan 0.000 0.482 359 S N 0.097 115.731 115.700 -0.110 0.000 2.433 359 S HA 0.237 4.707 4.470 -0.000 0.000 0.216 359 S C 0.344 174.775 174.600 -0.283 0.000 1.031 359 S CA 1.221 59.323 58.200 -0.163 0.000 0.931 359 S CB -0.772 62.344 63.200 -0.140 0.000 0.875 359 S HN 1.274 nan 8.310 nan 0.000 0.553 360 D N 1.514 121.658 120.400 -0.427 0.000 2.832 360 D HA -0.129 4.511 4.640 -0.000 0.000 0.235 360 D C -0.385 175.755 176.300 -0.267 0.000 1.081 360 D CA 0.724 54.351 54.000 -0.622 0.000 0.744 360 D CB -1.936 38.459 40.800 -0.675 0.000 1.086 360 D HN 0.679 nan 8.370 nan 0.000 0.438 361 S N 0.766 116.371 115.700 -0.159 0.000 2.885 361 S HA -0.003 4.467 4.470 -0.000 0.000 0.334 361 S C 1.033 175.533 174.600 -0.167 0.000 1.224 361 S CA 1.033 59.146 58.200 -0.144 0.000 1.080 361 S CB 0.822 63.941 63.200 -0.134 0.000 0.801 361 S HN 0.450 nan 8.310 nan 0.000 0.510 362 Q N 0.176 119.867 119.800 -0.181 0.000 2.468 362 Q HA -0.279 4.060 4.340 -0.000 0.000 0.256 362 Q C 0.299 176.123 176.000 -0.294 0.000 0.984 362 Q CA 1.034 56.722 55.803 -0.193 0.000 1.110 362 Q CB -2.058 26.613 28.738 -0.112 0.000 1.527 362 Q HN 1.252 nan 8.270 nan 0.000 0.535 363 A N 0.135 122.718 122.820 -0.396 0.000 3.292 363 A HA 0.567 4.887 4.320 -0.000 0.000 0.231 363 A C 0.388 177.740 177.584 -0.386 0.000 0.952 363 A CA 0.133 51.860 52.037 -0.517 0.000 1.044 363 A CB 0.441 18.828 19.000 -1.021 0.000 1.236 363 A HN 0.344 nan 8.150 nan 0.000 0.525 364 M N -1.295 118.116 119.600 -0.314 0.000 2.665 364 M HA -0.143 4.337 4.480 -0.000 0.000 0.217 364 M C 0.199 176.366 176.300 -0.222 0.000 0.487 364 M CA 0.943 56.086 55.300 -0.261 0.000 0.657 364 M CB -1.496 30.979 32.600 -0.209 0.000 2.412 364 M HN 1.248 nan 8.290 nan 0.000 0.767 365 G N 0.513 109.179 108.800 -0.224 0.000 2.616 365 G HA2 0.683 4.643 3.960 -0.000 0.000 0.294 365 G HA3 0.683 4.643 3.960 -0.000 0.000 0.294 365 G C -1.385 173.413 174.900 -0.171 0.000 1.489 365 G CA -1.124 43.860 45.100 -0.192 0.000 0.836 365 G HN 0.250 nan 8.290 nan 0.000 0.527 366 R N 1.651 122.065 120.500 -0.144 0.000 2.275 366 R HA 0.373 4.713 4.340 -0.000 0.000 0.326 366 R C 1.026 177.255 176.300 -0.119 0.000 0.973 366 R CA -0.713 55.309 56.100 -0.130 0.000 0.854 366 R CB 1.987 32.212 30.300 -0.125 0.000 1.156 366 R HN 0.321 nan 8.270 nan 0.000 0.487 367 V N 2.797 122.645 119.914 -0.111 0.000 2.453 367 V HA -0.172 3.948 4.120 -0.000 0.000 0.252 367 V C 1.480 177.526 176.094 -0.080 0.000 1.068 367 V CA 2.570 64.812 62.300 -0.097 0.000 1.070 367 V CB -0.081 31.691 31.823 -0.085 0.000 0.664 367 V HN 0.990 nan 8.190 nan 0.000 0.461 368 G N -1.412 107.340 108.800 -0.079 0.000 3.284 368 G HA2 0.130 4.090 3.960 -0.000 0.000 0.236 368 G HA3 0.130 4.090 3.960 -0.000 0.000 0.236 368 G C 0.742 175.599 174.900 -0.070 0.000 1.158 368 G CA 0.091 45.153 45.100 -0.064 0.000 0.774 368 G HN 0.615 nan 8.290 nan 0.000 0.545 369 E N -0.034 120.110 120.200 -0.093 0.000 2.693 369 E HA 0.140 4.490 4.350 -0.000 0.000 0.214 369 E C 1.442 177.971 176.600 -0.119 0.000 0.990 369 E CA -0.211 56.129 56.400 -0.100 0.000 1.047 369 E CB 1.123 30.755 29.700 -0.113 0.000 1.039 369 E HN 0.190 nan 8.360 nan 0.000 0.475 370 V N 0.856 120.689 119.914 -0.136 0.000 2.307 370 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 370 V C 2.143 178.051 176.094 -0.310 0.000 1.045 370 V CA 1.534 63.730 62.300 -0.174 0.000 1.024 370 V CB -0.245 31.495 31.823 -0.139 0.000 0.651 370 V HN 0.355 nan 8.190 nan 0.000 0.449 371 I N -0.423 119.903 120.570 -0.406 0.000 2.193 371 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 371 I C 2.448 178.398 176.117 -0.278 0.000 1.084 371 I CA 1.520 62.435 61.300 -0.641 0.000 1.365 371 I CB -0.356 37.353 38.000 -0.485 0.000 1.064 371 I HN 0.282 nan 8.210 nan 0.000 0.410 372 L N 1.100 122.246 121.223 -0.128 0.000 1.990 372 L HA -0.282 4.058 4.340 -0.000 0.000 0.213 372 L C 2.856 179.709 176.870 -0.028 0.000 1.072 372 L CA 1.819 56.642 54.840 -0.028 0.000 0.755 372 L CB -0.295 41.756 42.059 -0.013 0.000 0.889 372 L HN 0.151 nan 8.230 nan 0.000 0.432 373 R N -1.177 119.272 120.500 -0.084 0.000 2.115 373 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 373 R C 2.107 178.342 176.300 -0.108 0.000 1.111 373 R CA 1.653 57.709 56.100 -0.074 0.000 0.976 373 R CB -0.531 29.723 30.300 -0.075 0.000 0.870 373 R HN 0.441 nan 8.270 nan 0.000 0.445 374 T N -0.021 114.407 114.554 -0.211 0.000 2.746 374 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 374 T C 1.269 175.767 174.700 -0.337 0.000 1.039 374 T CA 1.346 63.277 62.100 -0.282 0.000 1.142 374 T CB -0.214 68.426 68.868 -0.379 0.000 0.866 374 T HN 0.448 nan 8.240 nan 0.000 0.444 375 W N 1.535 122.819 121.300 -0.027 0.000 2.436 375 W HA 0.002 4.662 4.660 -0.000 0.000 0.284 375 W C 2.636 179.107 176.519 -0.081 0.000 1.225 375 W CA 0.077 57.384 57.345 -0.064 0.000 1.271 375 W CB -0.244 29.191 29.460 -0.042 0.000 1.114 375 W HN 0.313 nan 8.180 nan 0.000 0.559 376 Q N -0.032 119.834 119.800 0.111 0.000 2.119 376 Q HA -0.170 4.170 4.340 -0.000 0.000 0.201 376 Q C 2.147 178.193 176.000 0.075 0.000 0.972 376 Q CA 1.617 57.468 55.803 0.081 0.000 0.847 376 Q CB -0.497 28.264 28.738 0.038 0.000 0.903 376 Q HN 0.188 nan 8.270 nan 0.000 0.433 377 V N 0.916 120.831 119.914 0.002 0.000 2.295 377 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 377 V C 2.287 178.320 176.094 -0.101 0.000 1.049 377 V CA 1.827 64.128 62.300 0.002 0.000 1.024 377 V CB -0.998 30.851 31.823 0.043 0.000 0.648 377 V HN 0.399 nan 8.190 nan 0.000 0.447 378 A N -0.244 122.329 122.820 -0.411 0.000 1.908 378 A HA -0.338 3.982 4.320 -0.000 0.000 0.218 378 A C 2.102 179.593 177.584 -0.154 0.000 1.181 378 A CA 2.554 54.194 52.037 -0.662 0.000 0.627 378 A CB -0.908 17.589 19.000 -0.837 0.000 0.818 378 A HN 0.811 nan 8.150 nan 0.000 0.445 379 H N -0.649 118.370 119.070 -0.085 0.000 2.293 379 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 379 H C 2.224 177.548 175.328 -0.006 0.000 1.082 379 H CA 1.975 58.012 56.048 -0.018 0.000 1.308 379 H CB -0.041 29.725 29.762 0.007 0.000 1.375 379 H HN 0.233 nan 8.280 nan 0.000 0.495 380 R N -0.247 120.250 120.500 -0.004 0.000 2.120 380 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 380 R C 2.145 178.411 176.300 -0.055 0.000 1.123 380 R CA 1.164 57.238 56.100 -0.042 0.000 0.975 380 R CB -0.264 30.079 30.300 0.073 0.000 0.866 380 R HN 0.483 nan 8.270 nan 0.000 0.446 381 M N 0.201 119.786 119.600 -0.024 0.000 2.288 381 M HA -0.060 4.420 4.480 -0.000 0.000 0.266 381 M C 2.084 178.381 176.300 -0.005 0.000 1.072 381 M CA 1.119 56.431 55.300 0.019 0.000 1.132 381 M CB -0.608 32.048 32.600 0.092 0.000 1.386 381 M HN 0.041 nan 8.290 nan 0.000 0.432 382 K N 0.439 120.810 120.400 -0.049 0.000 2.025 382 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 382 K C 1.875 178.435 176.600 -0.066 0.000 1.049 382 K CA 1.205 57.470 56.287 -0.037 0.000 0.933 382 K CB 0.045 32.521 32.500 -0.040 0.000 0.714 382 K HN 0.060 nan 8.250 nan 0.000 0.438 383 V N 1.692 121.513 119.914 -0.156 0.000 2.332 383 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 383 V C 2.305 178.360 176.094 -0.063 0.000 1.055 383 V CA 2.036 64.249 62.300 -0.144 0.000 1.038 383 V CB -0.413 31.258 31.823 -0.254 0.000 0.651 383 V HN 0.459 nan 8.190 nan 0.000 0.450 384 Q N -0.866 118.908 119.800 -0.043 0.000 2.204 384 Q HA 0.034 4.374 4.340 -0.000 0.000 0.198 384 Q C 2.153 178.157 176.000 0.007 0.000 0.946 384 Q CA 0.789 56.587 55.803 -0.009 0.000 0.859 384 Q CB 0.061 28.804 28.738 0.008 0.000 0.946 384 Q HN 0.579 nan 8.270 nan 0.000 0.474 385 R N -0.139 120.370 120.500 0.014 0.000 2.365 385 R HA 0.268 4.608 4.340 -0.000 0.000 0.223 385 R C 0.690 177.007 176.300 0.029 0.000 0.899 385 R CA 0.460 56.577 56.100 0.028 0.000 1.059 385 R CB 1.079 31.407 30.300 0.046 0.000 1.086 385 R HN 0.198 nan 8.270 nan 0.000 0.522 386 G N 1.618 110.430 108.800 0.021 0.000 2.642 386 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.231 386 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.231 386 G C -0.264 174.663 174.900 0.045 0.000 1.338 386 G CA -0.411 44.704 45.100 0.025 0.000 0.883 386 G HN 0.427 nan 8.290 nan 0.000 0.570 387 A N -0.600 122.248 122.820 0.046 0.000 2.445 387 A HA 0.615 4.935 4.320 -0.000 0.000 0.242 387 A C 0.916 178.547 177.584 0.080 0.000 1.075 387 A CA 0.254 52.331 52.037 0.066 0.000 0.777 387 A CB 0.091 19.122 19.000 0.052 0.000 1.013 387 A HN 1.220 nan 8.150 nan 0.000 0.493 388 L N 1.303 122.597 121.223 0.119 0.000 2.453 388 L HA 0.278 4.617 4.340 -0.000 0.000 0.261 388 L C 1.831 178.741 176.870 0.066 0.000 1.179 388 L CA -0.012 54.906 54.840 0.130 0.000 0.813 388 L CB 0.763 42.968 42.059 0.245 0.000 1.110 388 L HN 0.897 nan 8.230 nan 0.000 0.466 389 A N 1.275 124.115 122.820 0.034 0.000 2.024 389 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 389 A C 1.819 179.355 177.584 -0.079 0.000 1.164 389 A CA 1.497 53.526 52.037 -0.014 0.000 0.643 389 A CB -0.401 18.590 19.000 -0.016 0.000 0.806 389 A HN 0.874 nan 8.150 nan 0.000 0.451 390 E N 0.463 120.569 120.200 -0.157 0.000 2.435 390 E HA 0.036 4.386 4.350 -0.000 0.000 0.195 390 E C 0.270 176.709 176.600 -0.267 0.000 1.029 390 E CA 0.022 56.179 56.400 -0.406 0.000 0.865 390 E CB 0.107 29.110 29.700 -1.162 0.000 0.833 390 E HN 0.486 nan 8.360 nan 0.000 0.510 391 E N 0.610 120.784 120.200 -0.044 0.000 2.398 391 E HA 0.096 4.446 4.350 -0.000 0.000 0.263 391 E C -0.243 176.361 176.600 0.008 0.000 1.046 391 E CA 0.452 56.881 56.400 0.048 0.000 0.908 391 E CB 1.264 31.020 29.700 0.092 0.000 0.963 391 E HN -0.108 nan 8.360 nan 0.000 0.431 392 T N 0.478 115.051 114.554 0.032 0.000 2.916 392 T HA 0.572 4.922 4.350 -0.000 0.000 0.298 392 T C -0.315 174.403 174.700 0.030 0.000 1.031 392 T CA 0.415 62.525 62.100 0.018 0.000 0.993 392 T CB 1.126 70.002 68.868 0.014 0.000 1.045 392 T HN 0.715 nan 8.240 nan 0.000 0.454 393 G N 3.001 111.811 108.800 0.017 0.000 2.860 393 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.553 393 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.553 393 G C -0.469 174.437 174.900 0.009 0.000 1.439 393 G CA -0.379 44.729 45.100 0.013 0.000 0.879 393 G HN 0.737 nan 8.290 nan 0.000 0.545 394 D N 2.018 122.413 120.400 -0.007 0.000 2.741 394 D HA 0.223 4.863 4.640 -0.000 0.000 0.233 394 D C 0.730 177.019 176.300 -0.019 0.000 1.160 394 D CA 0.394 54.378 54.000 -0.025 0.000 1.003 394 D CB -0.762 40.002 40.800 -0.060 0.000 1.064 394 D HN 0.615 nan 8.370 nan 0.000 0.503 395 N N -0.800 117.916 118.700 0.025 0.000 3.039 395 N HA 0.191 4.931 4.740 -0.000 0.000 0.257 395 N C -0.803 174.762 175.510 0.092 0.000 1.497 395 N CA -0.647 52.444 53.050 0.067 0.000 0.861 395 N CB 1.281 39.810 38.487 0.070 0.000 1.479 395 N HN -0.186 nan 8.380 nan 0.000 0.547 396 D N -0.301 120.168 120.400 0.115 0.000 2.559 396 D HA 0.118 4.758 4.640 -0.000 0.000 0.234 396 D C 0.223 176.583 176.300 0.100 0.000 1.226 396 D CA -0.219 53.850 54.000 0.115 0.000 0.830 396 D CB 0.036 40.906 40.800 0.116 0.000 1.028 396 D HN 0.363 nan 8.370 nan 0.000 0.492 397 N N 0.869 119.623 118.700 0.090 0.000 2.060 397 N HA -0.203 4.537 4.740 -0.000 0.000 0.195 397 N C 1.410 176.961 175.510 0.068 0.000 1.028 397 N CA 0.886 53.975 53.050 0.065 0.000 0.861 397 N CB -0.458 38.070 38.487 0.069 0.000 1.029 397 N HN 0.282 nan 8.380 nan 0.000 0.428 398 F N 1.513 121.472 119.950 0.015 0.000 2.134 398 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 398 F C 2.536 178.356 175.800 0.033 0.000 1.097 398 F CA 1.199 59.187 58.000 -0.019 0.000 1.264 398 F CB -0.071 38.913 39.000 -0.026 0.000 1.001 398 F HN -0.066 nan 8.300 nan 0.000 0.479 399 R N -0.064 120.457 120.500 0.035 0.000 2.120 399 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 399 R C 1.920 178.314 176.300 0.157 0.000 1.123 399 R CA 1.641 57.802 56.100 0.102 0.000 0.975 399 R CB -0.451 29.967 30.300 0.196 0.000 0.866 399 R HN 0.311 nan 8.270 nan 0.000 0.446 400 V N 1.057 121.043 119.914 0.119 0.000 2.379 400 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 400 V C 2.045 178.255 176.094 0.194 0.000 1.044 400 V CA 1.833 64.292 62.300 0.265 0.000 1.036 400 V CB -0.295 31.591 31.823 0.104 0.000 0.664 400 V HN 0.352 nan 8.190 nan 0.000 0.453 401 K N 0.016 120.377 120.400 -0.065 0.000 2.097 401 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 401 K C 2.341 178.879 176.600 -0.102 0.000 1.050 401 K CA 1.466 57.690 56.287 -0.104 0.000 0.938 401 K CB -0.249 32.083 32.500 -0.280 0.000 0.718 401 K HN 0.334 nan 8.250 nan 0.000 0.442 402 R N 0.166 120.439 120.500 -0.378 0.000 2.081 402 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 402 R C 1.684 177.901 176.300 -0.138 0.000 1.131 402 R CA 1.595 57.534 56.100 -0.269 0.000 0.960 402 R CB -0.227 29.825 30.300 -0.414 0.000 0.856 402 R HN 0.199 nan 8.270 nan 0.000 0.436 403 Y N 0.103 120.326 120.300 -0.128 0.000 2.337 403 Y HA -0.007 4.543 4.550 -0.000 0.000 0.293 403 Y C 2.101 177.810 175.900 -0.318 0.000 1.123 403 Y CA 0.949 58.910 58.100 -0.231 0.000 1.201 403 Y CB -0.030 38.185 38.460 -0.407 0.000 1.011 403 Y HN 0.086 nan 8.280 nan 0.000 0.545 404 I N -0.498 120.056 120.570 -0.026 0.000 2.394 404 I HA -0.252 3.918 4.170 -0.000 0.000 0.251 404 I C 2.297 178.208 176.117 -0.344 0.000 1.136 404 I CA 1.086 62.278 61.300 -0.181 0.000 1.425 404 I CB -0.113 38.001 38.000 0.190 0.000 1.079 404 I HN 0.194 nan 8.210 nan 0.000 0.425 405 A N 0.558 123.315 122.820 -0.105 0.000 2.019 405 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 405 A C 2.183 179.697 177.584 -0.116 0.000 1.164 405 A CA 1.465 53.458 52.037 -0.073 0.000 0.644 405 A CB -0.431 18.567 19.000 -0.004 0.000 0.805 405 A HN 0.407 nan 8.150 nan 0.000 0.449 406 K N -1.367 118.962 120.400 -0.119 0.000 2.147 406 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 406 K C 1.119 177.760 176.600 0.069 0.000 1.049 406 K CA 1.721 57.998 56.287 -0.016 0.000 0.936 406 K CB -0.240 32.272 32.500 0.019 0.000 0.722 406 K HN 0.917 nan 8.250 nan 0.000 0.446 407 Y N -1.624 118.685 120.300 0.016 0.000 2.612 407 Y HA 0.290 4.840 4.550 -0.000 0.000 0.250 407 Y C 1.063 177.013 175.900 0.083 0.000 1.175 407 Y CA -0.227 57.897 58.100 0.041 0.000 1.205 407 Y CB -0.232 38.238 38.460 0.016 0.000 1.201 407 Y HN -0.070 nan 8.280 nan 0.000 0.532 408 T N -2.740 111.762 114.554 -0.086 0.000 3.409 408 T HA 0.123 4.473 4.350 -0.000 0.000 0.188 408 T C 1.295 176.019 174.700 0.039 0.000 0.929 408 T CA 0.606 62.707 62.100 0.002 0.000 1.184 408 T CB -0.769 68.073 68.868 -0.044 0.000 1.570 408 T HN 0.095 nan 8.240 nan 0.000 0.367 409 I N 2.999 123.585 120.570 0.026 0.000 2.315 409 I HA -0.009 4.161 4.170 -0.000 0.000 0.248 409 I C 1.874 177.967 176.117 -0.039 0.000 1.117 409 I CA 1.350 62.653 61.300 0.005 0.000 1.404 409 I CB -0.806 37.157 38.000 -0.061 0.000 1.071 409 I HN 0.249 nan 8.210 nan 0.000 0.419 410 N N 0.764 119.429 118.700 -0.058 0.000 2.120 410 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 410 N C -0.782 174.707 175.510 -0.035 0.000 1.024 410 N CA 1.649 54.661 53.050 -0.063 0.000 0.852 410 N CB -1.797 36.649 38.487 -0.068 0.000 1.003 410 N HN 0.324 nan 8.380 nan 0.000 0.424 411 P HA 0.008 nan 4.420 nan 0.000 0.217 411 P C 1.045 178.385 177.300 0.066 0.000 1.151 411 P CA 1.293 64.430 63.100 0.062 0.000 0.828 411 P CB 0.001 31.761 31.700 0.100 0.000 0.788 412 A N -0.679 122.162 122.820 0.034 0.000 1.898 412 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 412 A C 2.176 179.762 177.584 0.004 0.000 1.181 412 A CA 1.347 53.392 52.037 0.014 0.000 0.620 412 A CB -1.608 17.406 19.000 0.022 0.000 0.819 412 A HN 0.106 nan 8.150 nan 0.000 0.442 413 L N -0.862 120.353 121.223 -0.013 0.000 2.056 413 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 413 L C 2.746 179.580 176.870 -0.059 0.000 1.078 413 L CA 1.692 56.513 54.840 -0.032 0.000 0.749 413 L CB -0.744 41.280 42.059 -0.058 0.000 0.901 413 L HN 0.333 nan 8.230 nan 0.000 0.433 414 T N -2.169 112.336 114.554 -0.082 0.000 2.833 414 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 414 T C 1.454 175.990 174.700 -0.272 0.000 1.054 414 T CA 1.100 63.093 62.100 -0.179 0.000 1.135 414 T CB -0.210 68.515 68.868 -0.239 0.000 0.869 414 T HN 0.360 nan 8.240 nan 0.000 0.466 415 H N -0.347 118.692 119.070 -0.051 0.000 2.520 415 H HA 0.342 4.898 4.556 -0.000 0.000 0.284 415 H C 1.601 176.892 175.328 -0.062 0.000 1.037 415 H CA 0.339 56.361 56.048 -0.043 0.000 1.168 415 H CB 0.224 29.964 29.762 -0.036 0.000 1.497 415 H HN 0.487 nan 8.280 nan 0.000 0.547 416 G N 2.341 111.141 108.800 0.001 0.000 2.246 416 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.273 416 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.273 416 G C 0.796 175.750 174.900 0.091 0.000 1.055 416 G CA 0.682 45.807 45.100 0.041 0.000 0.851 416 G HN 0.623 nan 8.290 nan 0.000 0.500 417 I N -4.188 116.374 120.570 -0.013 0.000 4.102 417 I HA 0.672 4.842 4.170 -0.000 0.000 0.325 417 I C 1.761 177.803 176.117 -0.126 0.000 1.471 417 I CA 0.332 61.529 61.300 -0.172 0.000 1.133 417 I CB 0.344 37.996 38.000 -0.581 0.000 1.184 417 I HN 0.121 nan 8.210 nan 0.000 0.451 418 A N 1.727 124.561 122.820 0.024 0.000 2.172 418 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 418 A C 2.014 179.646 177.584 0.079 0.000 1.154 418 A CA 1.762 53.826 52.037 0.045 0.000 0.701 418 A CB -1.241 17.792 19.000 0.055 0.000 0.789 418 A HN 0.844 nan 8.150 nan 0.000 0.465 419 H N -2.683 116.421 119.070 0.057 0.000 2.529 419 H HA 0.185 4.741 4.556 -0.000 0.000 0.277 419 H C 1.495 176.880 175.328 0.094 0.000 0.999 419 H CA 1.023 57.110 56.048 0.065 0.000 1.256 419 H CB 0.171 29.967 29.762 0.057 0.000 1.402 419 H HN 0.378 nan 8.280 nan 0.000 0.566 420 E N 0.994 121.005 120.200 -0.315 0.000 2.206 420 E HA 0.130 4.480 4.350 -0.000 0.000 0.195 420 E C 0.895 177.511 176.600 0.026 0.000 0.935 420 E CA 0.965 57.290 56.400 -0.125 0.000 0.875 420 E CB 0.955 30.596 29.700 -0.099 0.000 0.841 420 E HN 0.404 nan 8.360 nan 0.000 0.477 421 V N -4.869 115.071 119.914 0.044 0.000 3.084 421 V HA 0.847 4.967 4.120 -0.000 0.000 0.311 421 V C 0.839 176.992 176.094 0.098 0.000 1.311 421 V CA -0.228 62.132 62.300 0.101 0.000 1.062 421 V CB 1.181 33.096 31.823 0.155 0.000 1.113 421 V HN 0.295 nan 8.190 nan 0.000 0.468 422 G N -0.108 108.768 108.800 0.126 0.000 2.218 422 G HA2 0.092 4.052 3.960 -0.000 0.000 0.216 422 G HA3 0.092 4.052 3.960 -0.000 0.000 0.216 422 G C 0.254 175.261 174.900 0.178 0.000 0.994 422 G CA 0.606 45.785 45.100 0.131 0.000 0.637 422 G HN 2.488 nan 8.290 nan 0.000 0.505 423 S N -1.184 114.638 115.700 0.204 0.000 2.615 423 S HA 0.648 5.118 4.470 -0.000 0.000 0.268 423 S C -0.734 174.019 174.600 0.256 0.000 1.146 423 S CA -0.701 57.661 58.200 0.270 0.000 0.818 423 S CB 1.144 64.579 63.200 0.391 0.000 1.111 423 S HN 0.788 nan 8.310 nan 0.000 0.465 424 I N 1.599 122.365 120.570 0.327 0.000 2.241 424 I HA 0.384 4.554 4.170 -0.000 0.000 0.294 424 I C -0.062 176.228 176.117 0.288 0.000 1.145 424 I CA 0.161 61.649 61.300 0.313 0.000 1.261 424 I CB -0.221 37.991 38.000 0.353 0.000 1.475 424 I HN 0.584 nan 8.210 nan 0.000 0.533 425 E N 3.987 124.274 120.200 0.145 0.000 2.340 425 E HA 0.348 4.698 4.350 -0.000 0.000 0.273 425 E C -0.664 175.941 176.600 0.009 0.000 0.891 425 E CA -1.005 55.401 56.400 0.011 0.000 0.757 425 E CB 3.233 32.933 29.700 0.001 0.000 1.231 425 E HN 0.312 nan 8.360 nan 0.000 0.439 426 V N 0.167 120.050 119.914 -0.052 0.000 2.788 426 V HA 0.374 4.494 4.120 -0.000 0.000 0.307 426 V C 1.040 177.125 176.094 -0.016 0.000 1.069 426 V CA 1.073 63.343 62.300 -0.049 0.000 1.173 426 V CB 0.185 31.929 31.823 -0.132 0.000 0.925 426 V HN 1.020 nan 8.190 nan 0.000 0.492 427 G N 2.809 111.616 108.800 0.011 0.000 2.225 427 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.254 427 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.254 427 G C 0.311 175.246 174.900 0.059 0.000 0.988 427 G CA 0.439 45.560 45.100 0.035 0.000 0.625 427 G HN 0.915 nan 8.290 nan 0.000 0.527 428 K N -0.040 120.400 120.400 0.066 0.000 2.098 428 K HA 0.575 4.895 4.320 -0.000 0.000 0.257 428 K C 0.291 176.941 176.600 0.084 0.000 0.999 428 K CA -0.963 55.371 56.287 0.078 0.000 0.924 428 K CB 1.549 34.104 32.500 0.092 0.000 1.028 428 K HN 0.131 nan 8.250 nan 0.000 0.466 429 L N 1.822 123.093 121.223 0.080 0.000 2.525 429 L HA -0.034 4.306 4.340 -0.000 0.000 0.278 429 L C 0.011 176.937 176.870 0.093 0.000 1.218 429 L CA 0.761 55.648 54.840 0.079 0.000 0.878 429 L CB 0.424 42.526 42.059 0.071 0.000 1.127 429 L HN 0.752 nan 8.230 nan 0.000 0.492 430 A N 3.929 126.803 122.820 0.090 0.000 3.048 430 A HA 0.176 4.496 4.320 -0.000 0.000 0.264 430 A C -0.369 177.268 177.584 0.090 0.000 1.796 430 A CA -0.393 51.700 52.037 0.095 0.000 1.445 430 A CB -1.156 17.898 19.000 0.090 0.000 1.074 430 A HN 0.687 nan 8.150 nan 0.000 0.621 431 D N 1.478 121.938 120.400 0.100 0.000 2.428 431 D HA 0.520 5.160 4.640 -0.000 0.000 0.221 431 D C -0.272 176.092 176.300 0.106 0.000 1.123 431 D CA 0.449 54.508 54.000 0.098 0.000 0.869 431 D CB 0.853 41.721 40.800 0.113 0.000 1.032 431 D HN 0.401 nan 8.370 nan 0.000 0.506 432 L N 0.977 122.249 121.223 0.082 0.000 2.333 432 L HA 0.674 5.014 4.340 -0.000 0.000 0.263 432 L C -0.504 176.379 176.870 0.021 0.000 1.014 432 L CA -1.212 53.678 54.840 0.083 0.000 0.820 432 L CB 2.378 44.488 42.059 0.085 0.000 1.352 432 L HN -0.101 nan 8.230 nan 0.000 0.421 433 V N 1.819 121.733 119.914 0.000 0.000 2.577 433 V HA 0.419 4.539 4.120 -0.000 0.000 0.303 433 V C -0.386 175.545 176.094 -0.272 0.000 1.042 433 V CA -0.681 61.486 62.300 -0.221 0.000 0.872 433 V CB 2.238 33.862 31.823 -0.333 0.000 0.998 433 V HN 0.402 nan 8.190 nan 0.000 0.423 434 V N 3.942 123.664 119.914 -0.319 0.000 2.394 434 V HA 0.512 4.632 4.120 -0.000 0.000 0.282 434 V C -0.873 175.097 176.094 -0.206 0.000 1.031 434 V CA -0.448 61.769 62.300 -0.139 0.000 0.881 434 V CB 1.302 33.099 31.823 -0.044 0.000 0.982 434 V HN 0.910 nan 8.190 nan 0.000 0.451 435 W N 2.048 123.424 121.300 0.127 0.000 2.819 435 W HA 0.635 5.295 4.660 -0.000 0.000 0.337 435 W C 0.268 176.880 176.519 0.154 0.000 1.077 435 W CA -0.646 56.788 57.345 0.148 0.000 1.226 435 W CB 1.765 31.359 29.460 0.223 0.000 1.419 435 W HN 0.467 nan 8.180 nan 0.000 0.502 436 S N 2.273 118.227 115.700 0.423 0.000 2.537 436 S HA 0.306 4.776 4.470 -0.000 0.000 0.275 436 S C -1.532 173.263 174.600 0.325 0.000 1.272 436 S CA -1.264 57.127 58.200 0.318 0.000 1.050 436 S CB 1.119 64.518 63.200 0.333 0.000 0.961 436 S HN 0.231 nan 8.310 nan 0.000 0.496 437 P HA -0.061 nan 4.420 nan 0.000 0.217 437 P C 1.063 178.375 177.300 0.020 0.000 1.148 437 P CA 1.418 64.555 63.100 0.061 0.000 0.828 437 P CB 0.030 31.716 31.700 -0.024 0.000 0.783 438 A N -2.335 120.513 122.820 0.046 0.000 2.119 438 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 438 A C 1.230 178.621 177.584 -0.321 0.000 1.153 438 A CA 1.047 52.998 52.037 -0.143 0.000 0.692 438 A CB -1.218 17.664 19.000 -0.197 0.000 0.799 438 A HN 0.177 nan 8.150 nan 0.000 0.458 439 F N -2.396 117.621 119.950 0.111 0.000 2.724 439 F HA 0.322 4.849 4.527 -0.000 0.000 0.310 439 F C 0.261 176.038 175.800 -0.038 0.000 1.107 439 F CA -1.151 56.867 58.000 0.030 0.000 1.218 439 F CB 0.113 39.193 39.000 0.133 0.000 1.042 439 F HN 0.160 nan 8.300 nan 0.000 0.540 440 F N 1.494 121.366 119.950 -0.129 0.000 2.623 440 F HA 0.346 4.873 4.527 -0.000 0.000 0.383 440 F C 1.358 176.715 175.800 -0.737 0.000 1.077 440 F CA 1.100 58.800 58.000 -0.500 0.000 1.268 440 F CB 0.466 39.112 39.000 -0.590 0.000 1.053 440 F HN 0.320 nan 8.300 nan 0.000 0.571 441 G N 3.352 110.876 108.800 -2.127 0.000 2.212 441 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.266 441 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.266 441 G C 0.509 175.136 174.900 -0.456 0.000 0.978 441 G CA 0.495 44.780 45.100 -1.359 0.000 0.632 441 G HN 0.795 nan 8.290 nan 0.000 0.537 442 V N -0.914 118.854 119.914 -0.243 0.000 2.840 442 V HA 0.393 4.513 4.120 -0.000 0.000 0.234 442 V C 0.955 177.148 176.094 0.166 0.000 1.159 442 V CA 1.714 63.978 62.300 -0.059 0.000 1.194 442 V CB 0.391 31.950 31.823 -0.440 0.000 0.971 442 V HN 0.261 nan 8.190 nan 0.000 0.494 443 K N 1.143 121.718 120.400 0.292 0.000 2.613 443 K HA 0.456 4.776 4.320 -0.000 0.000 0.248 443 K C -2.957 173.853 176.600 0.349 0.000 0.959 443 K CA -1.613 54.846 56.287 0.286 0.000 0.855 443 K CB 2.662 35.291 32.500 0.214 0.000 1.143 443 K HN 0.144 nan 8.250 nan 0.000 0.437 444 P HA 0.059 nan 4.420 nan 0.000 0.275 444 P C -0.069 177.224 177.300 -0.013 0.000 1.228 444 P CA -0.083 62.889 63.100 -0.213 0.000 0.786 444 P CB 1.165 32.512 31.700 -0.588 0.000 0.927 445 A N 1.988 124.757 122.820 -0.086 0.000 1.935 445 A HA 0.135 4.454 4.320 -0.000 0.000 0.214 445 A C 0.507 178.036 177.584 -0.091 0.000 1.178 445 A CA 1.485 53.479 52.037 -0.073 0.000 0.640 445 A CB -0.387 18.599 19.000 -0.023 0.000 0.825 445 A HN 0.556 nan 8.150 nan 0.000 0.447 446 T N -0.896 113.582 114.554 -0.127 0.000 3.041 446 T HA 0.498 4.848 4.350 -0.000 0.000 0.321 446 T C -1.352 173.266 174.700 -0.137 0.000 1.184 446 T CA -0.407 61.636 62.100 -0.095 0.000 1.050 446 T CB 1.959 70.788 68.868 -0.064 0.000 1.159 446 T HN 0.014 nan 8.240 nan 0.000 0.469 447 V N 3.838 123.705 119.914 -0.078 0.000 2.376 447 V HA 0.502 4.622 4.120 -0.000 0.000 0.287 447 V C -0.370 175.709 176.094 -0.025 0.000 1.015 447 V CA -0.725 61.528 62.300 -0.080 0.000 0.834 447 V CB 1.122 32.906 31.823 -0.065 0.000 1.001 447 V HN 0.780 nan 8.190 nan 0.000 0.428 448 I N 5.003 125.566 120.570 -0.013 0.000 2.321 448 I HA 0.457 4.627 4.170 -0.000 0.000 0.291 448 I C 0.183 176.322 176.117 0.037 0.000 0.998 448 I CA -0.379 60.931 61.300 0.018 0.000 1.227 448 I CB 1.193 39.207 38.000 0.024 0.000 1.368 448 I HN 0.398 nan 8.210 nan 0.000 0.466 449 K N 4.428 124.855 120.400 0.044 0.000 2.358 449 K HA 0.365 4.685 4.320 -0.000 0.000 0.260 449 K C 0.511 177.148 176.600 0.061 0.000 0.956 449 K CA -0.304 56.016 56.287 0.055 0.000 0.834 449 K CB 1.823 34.354 32.500 0.051 0.000 1.102 449 K HN 0.901 nan 8.250 nan 0.000 0.431 450 G N 2.058 110.897 108.800 0.065 0.000 2.258 450 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.274 450 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.274 450 G C 0.702 175.650 174.900 0.080 0.000 1.021 450 G CA 0.914 46.056 45.100 0.071 0.000 0.798 450 G HN 1.100 nan 8.290 nan 0.000 0.507 451 G N -2.125 106.716 108.800 0.068 0.000 2.176 451 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.232 451 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.232 451 G C 0.199 175.126 174.900 0.044 0.000 0.986 451 G CA 0.781 45.916 45.100 0.058 0.000 0.643 451 G HN 1.081 nan 8.290 nan 0.000 0.522 452 M N 0.461 120.091 119.600 0.050 0.000 2.464 452 M HA 0.527 5.007 4.480 -0.000 0.000 0.308 452 M C 0.186 176.515 176.300 0.048 0.000 1.127 452 M CA -0.867 54.461 55.300 0.047 0.000 0.913 452 M CB 2.235 34.869 32.600 0.058 0.000 1.689 452 M HN 0.055 nan 8.290 nan 0.000 0.445 453 I N 1.967 122.566 120.570 0.049 0.000 2.587 453 I HA 0.017 4.187 4.170 -0.000 0.000 0.284 453 I C 0.945 177.089 176.117 0.045 0.000 1.134 453 I CA 0.183 61.507 61.300 0.039 0.000 1.410 453 I CB 1.010 39.033 38.000 0.038 0.000 1.392 453 I HN 0.889 nan 8.210 nan 0.000 0.545 454 A N 7.269 130.106 122.820 0.028 0.000 2.085 454 A HA 0.416 4.736 4.320 -0.000 0.000 0.208 454 A C 0.655 178.244 177.584 0.008 0.000 1.191 454 A CA 0.542 52.591 52.037 0.020 0.000 0.799 454 A CB 0.430 19.445 19.000 0.025 0.000 0.877 454 A HN 0.649 nan 8.150 nan 0.000 0.473 455 I N -1.946 118.635 120.570 0.019 0.000 2.842 455 I HA 0.596 4.766 4.170 -0.000 0.000 0.297 455 I C -1.431 174.725 176.117 0.065 0.000 1.380 455 I CA -0.488 60.839 61.300 0.045 0.000 1.018 455 I CB 2.217 40.262 38.000 0.076 0.000 1.311 455 I HN 0.242 nan 8.210 nan 0.000 0.439 456 A N 5.773 128.627 122.820 0.057 0.000 2.586 456 A HA 0.808 5.128 4.320 -0.000 0.000 0.291 456 A C -3.104 174.307 177.584 -0.288 0.000 1.062 456 A CA -1.153 50.858 52.037 -0.044 0.000 0.666 456 A CB 1.620 20.573 19.000 -0.078 0.000 1.281 456 A HN 0.299 nan 8.150 nan 0.000 0.421 457 P HA 0.514 nan 4.420 nan 0.000 0.271 457 P C -0.752 176.307 177.300 -0.402 0.000 1.216 457 P CA 0.088 62.731 63.100 -0.763 0.000 0.771 457 P CB 0.579 31.850 31.700 -0.715 0.000 0.864 458 M N 2.837 122.213 119.600 -0.374 0.000 2.324 458 M HA 0.597 5.077 4.480 -0.000 0.000 0.288 458 M C -0.274 175.857 176.300 -0.282 0.000 1.097 458 M CA -0.363 54.771 55.300 -0.277 0.000 0.928 458 M CB 1.558 34.012 32.600 -0.243 0.000 1.648 458 M HN 0.407 nan 8.290 nan 0.000 0.460 459 G N 1.265 109.953 108.800 -0.186 0.000 2.525 459 G HA2 0.275 4.235 3.960 -0.000 0.000 0.287 459 G HA3 0.275 4.235 3.960 -0.000 0.000 0.287 459 G C -0.883 173.950 174.900 -0.111 0.000 1.350 459 G CA -0.587 44.431 45.100 -0.137 0.000 1.039 459 G HN 0.752 nan 8.290 nan 0.000 0.513 460 D N -0.165 120.197 120.400 -0.063 0.000 2.793 460 D HA -0.113 4.527 4.640 -0.000 0.000 0.230 460 D C 1.731 178.006 176.300 -0.042 0.000 1.139 460 D CA -0.215 53.763 54.000 -0.037 0.000 0.838 460 D CB 0.249 41.037 40.800 -0.020 0.000 1.149 460 D HN 0.046 nan 8.370 nan 0.000 0.526 461 I N 3.673 124.219 120.570 -0.040 0.000 2.361 461 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 461 I C 1.876 177.981 176.117 -0.019 0.000 1.133 461 I CA 0.981 62.260 61.300 -0.036 0.000 1.413 461 I CB -1.157 36.823 38.000 -0.033 0.000 1.073 461 I HN 0.445 nan 8.210 nan 0.000 0.424 462 N N 0.938 119.630 118.700 -0.013 0.000 2.336 462 N HA 0.123 4.863 4.740 -0.000 0.000 0.189 462 N C 0.648 176.153 175.510 -0.008 0.000 1.113 462 N CA 0.156 53.202 53.050 -0.007 0.000 0.858 462 N CB 0.235 38.720 38.487 -0.003 0.000 0.970 462 N HN 0.276 nan 8.380 nan 0.000 0.471 463 A N -0.510 122.302 122.820 -0.013 0.000 2.327 463 A HA 0.269 4.589 4.320 -0.000 0.000 0.255 463 A C 1.360 178.937 177.584 -0.011 0.000 1.099 463 A CA 0.187 52.217 52.037 -0.013 0.000 0.801 463 A CB 0.056 19.045 19.000 -0.018 0.000 1.062 463 A HN 0.455 nan 8.150 nan 0.000 0.496 464 S N -0.511 115.184 115.700 -0.010 0.000 2.522 464 S HA 0.205 4.675 4.470 -0.000 0.000 0.227 464 S C 0.488 175.083 174.600 -0.008 0.000 0.986 464 S CA 0.870 59.066 58.200 -0.007 0.000 0.929 464 S CB -0.980 62.216 63.200 -0.007 0.000 0.769 464 S HN 0.795 nan 8.310 nan 0.000 0.529 465 I N -3.163 117.399 120.570 -0.013 0.000 3.102 465 I HA 0.446 4.616 4.170 -0.000 0.000 0.310 465 I C -2.594 173.508 176.117 -0.024 0.000 1.246 465 I CA -2.688 58.603 61.300 -0.014 0.000 0.979 465 I CB 1.761 39.752 38.000 -0.014 0.000 1.267 465 I HN -0.364 nan 8.210 nan 0.000 0.451 466 P HA -0.015 nan 4.420 nan 0.000 0.245 466 P C 1.021 178.284 177.300 -0.063 0.000 1.212 466 P CA 0.841 63.913 63.100 -0.047 0.000 0.774 466 P CB 0.066 31.739 31.700 -0.044 0.000 0.999 467 T N -4.253 110.271 114.554 -0.051 0.000 3.054 467 T HA 0.188 4.538 4.350 -0.000 0.000 0.259 467 T C -1.514 173.155 174.700 -0.051 0.000 1.092 467 T CA -0.356 61.710 62.100 -0.057 0.000 1.121 467 T CB -1.929 66.912 68.868 -0.044 0.000 0.912 467 T HN 0.115 nan 8.240 nan 0.000 0.489 468 P HA 0.198 nan 4.420 nan 0.000 0.269 468 P C 0.085 177.366 177.300 -0.032 0.000 1.209 468 P CA -0.195 62.886 63.100 -0.030 0.000 0.776 468 P CB 0.378 32.065 31.700 -0.022 0.000 0.876 469 Q N 2.818 122.607 119.800 -0.019 0.000 2.454 469 Q HA 0.196 4.536 4.340 -0.000 0.000 0.247 469 Q C -1.880 174.127 176.000 0.011 0.000 1.028 469 Q CA -1.168 54.632 55.803 -0.005 0.000 0.910 469 Q CB -0.553 28.186 28.738 0.001 0.000 1.276 469 Q HN 0.405 nan 8.270 nan 0.000 0.489 470 P HA 0.209 nan 4.420 nan 0.000 0.285 470 P C -0.831 176.511 177.300 0.070 0.000 1.259 470 P CA -0.339 62.810 63.100 0.081 0.000 0.794 470 P CB 0.914 32.698 31.700 0.140 0.000 0.940 471 V N 5.289 125.218 119.914 0.024 0.000 2.350 471 V HA 0.361 4.481 4.120 -0.000 0.000 0.276 471 V C 0.169 176.255 176.094 -0.014 0.000 1.028 471 V CA -0.106 62.144 62.300 -0.082 0.000 0.860 471 V CB 0.191 31.938 31.823 -0.128 0.000 0.990 471 V HN 0.876 nan 8.190 nan 0.000 0.453 472 H N 2.113 121.105 119.070 -0.129 0.000 3.008 472 H HA 0.626 5.182 4.556 -0.000 0.000 0.354 472 H C -1.555 173.684 175.328 -0.148 0.000 1.252 472 H CA -1.130 54.867 56.048 -0.085 0.000 1.117 472 H CB 0.753 30.531 29.762 0.027 0.000 1.857 472 H HN 0.363 nan 8.280 nan 0.000 0.547 473 Y N 1.222 121.570 120.300 0.080 0.000 2.544 473 Y HA 0.270 4.820 4.550 -0.000 0.000 0.330 473 Y C 0.590 176.495 175.900 0.008 0.000 1.136 473 Y CA 0.294 58.398 58.100 0.007 0.000 1.417 473 Y CB 0.486 38.961 38.460 0.024 0.000 1.229 473 Y HN 0.367 nan 8.280 nan 0.000 0.532 474 R N 4.252 124.765 120.500 0.021 0.000 2.744 474 R HA 0.434 4.774 4.340 -0.000 0.000 0.279 474 R C -2.953 173.331 176.300 -0.027 0.000 0.977 474 R CA -2.345 53.745 56.100 -0.017 0.000 0.906 474 R CB 1.548 31.772 30.300 -0.128 0.000 1.197 474 R HN 0.322 nan 8.270 nan 0.000 0.463 475 P HA 0.050 nan 4.420 nan 0.000 0.268 475 P C -0.457 176.754 177.300 -0.149 0.000 1.205 475 P CA 0.228 63.290 63.100 -0.064 0.000 0.771 475 P CB 0.630 32.292 31.700 -0.063 0.000 0.858 476 M N 1.627 121.142 119.600 -0.142 0.000 2.840 476 M HA 0.342 4.822 4.480 -0.000 0.000 0.283 476 M C 1.342 177.490 176.300 -0.252 0.000 1.136 476 M CA -0.722 54.437 55.300 -0.236 0.000 0.857 476 M CB -0.349 32.206 32.600 -0.076 0.000 1.644 476 M HN 0.224 nan 8.290 nan 0.000 0.520 477 F N 0.685 120.619 119.950 -0.028 0.000 2.202 477 F HA -0.087 4.439 4.527 -0.000 0.000 0.301 477 F C 2.254 178.034 175.800 -0.033 0.000 1.082 477 F CA 1.590 59.571 58.000 -0.033 0.000 1.313 477 F CB -0.974 38.004 39.000 -0.036 0.000 1.024 477 F HN 0.760 nan 8.300 nan 0.000 0.495 478 G N -0.692 108.181 108.800 0.123 0.000 2.559 478 G HA2 0.011 3.971 3.960 -0.000 0.000 0.216 478 G HA3 0.011 3.971 3.960 -0.000 0.000 0.216 478 G C 1.510 176.425 174.900 0.025 0.000 1.126 478 G CA 0.611 45.752 45.100 0.070 0.000 0.778 478 G HN 0.439 nan 8.290 nan 0.000 0.543 479 A N -0.317 122.501 122.820 -0.004 0.000 2.387 479 A HA 0.596 4.916 4.320 -0.000 0.000 0.234 479 A C 0.614 178.165 177.584 -0.054 0.000 1.253 479 A CA -0.327 51.694 52.037 -0.027 0.000 0.894 479 A CB 0.133 19.116 19.000 -0.029 0.000 0.963 479 A HN 0.249 nan 8.150 nan 0.000 0.508 480 L N -0.266 120.927 121.223 -0.050 0.000 2.289 480 L HA 0.468 4.808 4.340 -0.000 0.000 0.285 480 L C 1.685 178.491 176.870 -0.108 0.000 1.049 480 L CA -0.193 54.609 54.840 -0.062 0.000 0.804 480 L CB 1.132 43.180 42.059 -0.019 0.000 1.195 480 L HN 0.513 nan 8.230 nan 0.000 0.428 481 G N 2.331 111.044 108.800 -0.144 0.000 2.808 481 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.470 481 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.470 481 G C 1.161 175.774 174.900 -0.478 0.000 1.041 481 G CA 1.098 46.055 45.100 -0.239 0.000 0.839 481 G HN 0.638 nan 8.290 nan 0.000 0.825 482 S N 0.718 116.271 115.700 -0.244 0.000 2.423 482 S HA 0.106 4.576 4.470 -0.000 0.000 0.231 482 S C 2.719 177.287 174.600 -0.053 0.000 1.014 482 S CA 1.705 59.834 58.200 -0.119 0.000 0.965 482 S CB -0.450 62.778 63.200 0.046 0.000 0.785 482 S HN 1.118 nan 8.310 nan 0.000 0.495 483 A N 1.905 124.693 122.820 -0.053 0.000 1.930 483 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 483 A C 2.077 179.673 177.584 0.020 0.000 1.175 483 A CA 1.252 53.292 52.037 0.005 0.000 0.627 483 A CB -0.489 18.525 19.000 0.023 0.000 0.815 483 A HN 0.413 nan 8.150 nan 0.000 0.443 484 R N -0.710 119.742 120.500 -0.079 0.000 2.073 484 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 484 R C 1.966 178.273 176.300 0.012 0.000 1.134 484 R CA 2.019 58.081 56.100 -0.064 0.000 0.952 484 R CB -0.569 29.647 30.300 -0.140 0.000 0.850 484 R HN 0.786 nan 8.270 nan 0.000 0.433 485 H N -2.032 117.062 119.070 0.040 0.000 2.352 485 H HA -0.183 4.373 4.556 -0.000 0.000 0.299 485 H C 1.989 177.328 175.328 0.018 0.000 1.097 485 H CA 1.696 57.753 56.048 0.015 0.000 1.311 485 H CB -0.175 29.597 29.762 0.017 0.000 1.377 485 H HN 0.445 nan 8.280 nan 0.000 0.504 486 H N -0.796 118.336 119.070 0.104 0.000 2.524 486 H HA 0.006 4.562 4.556 -0.000 0.000 0.282 486 H C 1.003 176.349 175.328 0.029 0.000 1.016 486 H CA 0.909 56.988 56.048 0.052 0.000 1.270 486 H CB 0.226 30.009 29.762 0.036 0.000 1.394 486 H HN 0.312 nan 8.280 nan 0.000 0.568 487 C N 1.210 120.585 119.300 0.125 0.000 3.104 487 C HA 0.294 4.754 4.460 -0.000 0.000 0.284 487 C C 0.498 175.507 174.990 0.032 0.000 1.326 487 C CA -0.419 58.649 59.018 0.085 0.000 1.725 487 C CB -1.087 26.712 27.740 0.098 0.000 2.156 487 C HN 0.525 nan 8.230 nan 0.000 0.638 488 R N 0.030 120.533 120.500 0.005 0.000 2.888 488 R HA 0.849 5.189 4.340 -0.000 0.000 0.266 488 R C -1.597 174.641 176.300 -0.104 0.000 1.020 488 R CA -0.681 55.403 56.100 -0.025 0.000 0.963 488 R CB 1.021 31.323 30.300 0.004 0.000 1.197 488 R HN 0.083 nan 8.270 nan 0.000 0.481 489 L N 0.667 121.774 121.223 -0.193 0.000 2.362 489 L HA 0.492 4.832 4.340 -0.000 0.000 0.271 489 L C -0.647 175.945 176.870 -0.464 0.000 1.002 489 L CA -0.932 53.678 54.840 -0.382 0.000 0.818 489 L CB 2.750 44.425 42.059 -0.640 0.000 1.298 489 L HN 0.732 nan 8.230 nan 0.000 0.420 490 T N 2.199 116.519 114.554 -0.391 0.000 2.772 490 T HA 0.509 4.859 4.350 -0.000 0.000 0.288 490 T C -0.485 174.042 174.700 -0.288 0.000 0.994 490 T CA -0.278 61.665 62.100 -0.261 0.000 0.951 490 T CB 0.284 69.075 68.868 -0.130 0.000 0.933 490 T HN 0.095 nan 8.240 nan 0.000 0.447 491 F N 3.454 123.426 119.950 0.036 0.000 2.427 491 F HA 0.487 5.014 4.527 -0.000 0.000 0.352 491 F C 0.504 176.332 175.800 0.048 0.000 1.100 491 F CA -0.746 57.285 58.000 0.051 0.000 1.191 491 F CB 0.558 39.600 39.000 0.071 0.000 1.128 491 F HN 0.179 nan 8.300 nan 0.000 0.533 492 L N 1.944 123.298 121.223 0.220 0.000 2.301 492 L HA 0.518 4.858 4.340 -0.000 0.000 0.264 492 L C -0.060 176.892 176.870 0.137 0.000 1.016 492 L CA -1.087 53.834 54.840 0.136 0.000 0.821 492 L CB 2.300 44.403 42.059 0.074 0.000 1.346 492 L HN 0.644 nan 8.230 nan 0.000 0.429 493 S N -0.402 115.356 115.700 0.095 0.000 2.617 493 S HA 0.173 4.643 4.470 -0.000 0.000 0.269 493 S C 0.534 175.170 174.600 0.060 0.000 1.292 493 S CA -0.608 57.638 58.200 0.076 0.000 1.010 493 S CB 1.443 64.677 63.200 0.056 0.000 0.944 493 S HN 0.681 nan 8.310 nan 0.000 0.536 494 Q N 1.148 120.977 119.800 0.048 0.000 2.135 494 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 494 Q C 2.441 178.456 176.000 0.024 0.000 0.981 494 Q CA 1.690 57.513 55.803 0.034 0.000 0.856 494 Q CB -0.610 28.140 28.738 0.020 0.000 0.902 494 Q HN 0.933 nan 8.270 nan 0.000 0.425 495 A N 1.018 123.851 122.820 0.022 0.000 1.898 495 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 495 A C 2.308 179.901 177.584 0.015 0.000 1.181 495 A CA 1.520 53.566 52.037 0.015 0.000 0.620 495 A CB -0.825 18.183 19.000 0.013 0.000 0.819 495 A HN 0.399 nan 8.150 nan 0.000 0.442 496 A N -0.092 122.740 122.820 0.021 0.000 1.902 496 A HA 0.161 4.481 4.320 -0.000 0.000 0.217 496 A C 2.511 180.103 177.584 0.014 0.000 1.181 496 A CA 2.103 54.150 52.037 0.017 0.000 0.623 496 A CB -1.040 17.974 19.000 0.023 0.000 0.818 496 A HN 1.050 nan 8.150 nan 0.000 0.443 497 A N -0.070 122.762 122.820 0.021 0.000 1.883 497 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 497 A C 2.520 180.109 177.584 0.010 0.000 1.186 497 A CA 2.274 54.322 52.037 0.017 0.000 0.624 497 A CB -1.064 17.954 19.000 0.029 0.000 0.822 497 A HN 1.087 nan 8.150 nan 0.000 0.444 498 A N 0.131 122.958 122.820 0.010 0.000 1.930 498 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 498 A C 1.720 179.305 177.584 0.002 0.000 1.175 498 A CA 1.628 53.668 52.037 0.006 0.000 0.627 498 A CB -0.600 18.404 19.000 0.006 0.000 0.815 498 A HN 0.529 nan 8.150 nan 0.000 0.443 499 N N -0.291 118.411 118.700 0.003 0.000 2.609 499 N HA 0.042 4.782 4.740 -0.000 0.000 0.190 499 N C 1.125 176.633 175.510 -0.004 0.000 1.157 499 N CA 1.103 54.153 53.050 -0.000 0.000 0.918 499 N CB -0.212 38.275 38.487 0.001 0.000 0.978 499 N HN 0.703 nan 8.380 nan 0.000 0.448 500 G N -0.048 108.749 108.800 -0.005 0.000 2.176 500 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 500 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 500 G C 0.998 175.888 174.900 -0.015 0.000 1.024 500 G CA 0.399 45.493 45.100 -0.010 0.000 0.755 500 G HN 0.223 nan 8.290 nan 0.000 0.507 501 V N 0.076 119.982 119.914 -0.014 0.000 2.392 501 V HA -0.155 3.965 4.120 -0.000 0.000 0.249 501 V C 3.209 179.283 176.094 -0.033 0.000 1.059 501 V CA 3.131 65.418 62.300 -0.021 0.000 1.051 501 V CB -0.891 30.922 31.823 -0.015 0.000 0.658 501 V HN 1.001 nan 8.190 nan 0.000 0.455 502 A N -0.160 122.641 122.820 -0.032 0.000 1.902 502 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 502 A C 2.104 179.659 177.584 -0.049 0.000 1.181 502 A CA 1.998 54.008 52.037 -0.045 0.000 0.623 502 A CB -0.433 18.541 19.000 -0.043 0.000 0.818 502 A HN 0.564 nan 8.150 nan 0.000 0.443 503 E N -0.645 119.533 120.200 -0.037 0.000 2.107 503 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 503 E C 2.139 178.717 176.600 -0.037 0.000 0.982 503 E CA 1.125 57.504 56.400 -0.035 0.000 0.809 503 E CB -0.260 29.424 29.700 -0.025 0.000 0.756 503 E HN 0.623 nan 8.360 nan 0.000 0.459 504 R N 0.292 120.771 120.500 -0.035 0.000 2.075 504 R HA -0.003 4.337 4.340 -0.000 0.000 0.232 504 R C 1.779 178.051 176.300 -0.047 0.000 1.126 504 R CA 0.981 57.060 56.100 -0.035 0.000 0.963 504 R CB -0.124 30.158 30.300 -0.029 0.000 0.858 504 R HN 0.197 nan 8.270 nan 0.000 0.435 505 L N 0.483 121.670 121.223 -0.059 0.000 2.554 505 L HA 0.036 4.376 4.340 -0.000 0.000 0.226 505 L C 0.552 177.373 176.870 -0.081 0.000 1.137 505 L CA 0.208 55.002 54.840 -0.077 0.000 0.863 505 L CB -0.318 41.688 42.059 -0.089 0.000 0.985 505 L HN 0.435 nan 8.230 nan 0.000 0.451 506 N N 1.157 119.814 118.700 -0.071 0.000 2.756 506 N HA -0.178 4.562 4.740 -0.000 0.000 0.248 506 N C -0.439 175.009 175.510 -0.103 0.000 1.062 506 N CA -0.189 52.816 53.050 -0.075 0.000 0.696 506 N CB -0.414 38.034 38.487 -0.066 0.000 0.946 506 N HN 0.037 nan 8.380 nan 0.000 0.548 507 L N 1.328 122.486 121.223 -0.108 0.000 2.453 507 L HA 0.083 4.423 4.340 -0.000 0.000 0.272 507 L C 1.788 178.554 176.870 -0.173 0.000 1.182 507 L CA 0.742 55.497 54.840 -0.141 0.000 0.858 507 L CB 0.947 42.936 42.059 -0.116 0.000 1.120 507 L HN 0.163 nan 8.230 nan 0.000 0.474 508 R N 0.295 120.626 120.500 -0.283 0.000 2.223 508 R HA 0.186 4.526 4.340 -0.000 0.000 0.198 508 R C 0.530 176.663 176.300 -0.279 0.000 0.984 508 R CA 0.157 56.038 56.100 -0.365 0.000 1.018 508 R CB 0.061 29.910 30.300 -0.752 0.000 0.945 508 R HN 0.631 nan 8.270 nan 0.000 0.479 509 S N 0.247 115.811 115.700 -0.227 0.000 2.645 509 S HA 0.550 5.020 4.470 -0.000 0.000 0.266 509 S C 0.112 174.647 174.600 -0.107 0.000 1.258 509 S CA -0.525 57.619 58.200 -0.094 0.000 0.990 509 S CB 1.198 64.361 63.200 -0.062 0.000 0.967 509 S HN 0.370 nan 8.310 nan 0.000 0.556 510 A N 1.321 124.072 122.820 -0.116 0.000 2.445 510 A HA 0.451 4.771 4.320 -0.000 0.000 0.242 510 A C -0.170 177.326 177.584 -0.147 0.000 1.075 510 A CA -0.119 51.834 52.037 -0.140 0.000 0.777 510 A CB -0.201 18.696 19.000 -0.171 0.000 1.013 510 A HN 0.586 nan 8.150 nan 0.000 0.493 511 I N 0.752 121.252 120.570 -0.116 0.000 2.441 511 I HA 0.607 4.777 4.170 -0.000 0.000 0.295 511 I C 0.494 176.565 176.117 -0.076 0.000 0.994 511 I CA -0.146 61.092 61.300 -0.104 0.000 1.144 511 I CB 1.162 39.129 38.000 -0.055 0.000 1.314 511 I HN 0.750 nan 8.210 nan 0.000 0.445 512 A N 5.895 128.668 122.820 -0.078 0.000 2.413 512 A HA 0.844 5.164 4.320 -0.000 0.000 0.307 512 A C -1.106 176.613 177.584 0.225 0.000 1.087 512 A CA -0.526 51.555 52.037 0.074 0.000 0.750 512 A CB 1.862 20.877 19.000 0.024 0.000 1.296 512 A HN 0.383 nan 8.150 nan 0.000 0.423 513 V N 1.601 121.697 119.914 0.303 0.000 2.628 513 V HA 0.557 4.677 4.120 -0.000 0.000 0.306 513 V C 0.212 176.507 176.094 0.335 0.000 1.045 513 V CA -0.539 61.916 62.300 0.259 0.000 0.905 513 V CB 1.712 33.620 31.823 0.142 0.000 0.997 513 V HN 1.076 nan 8.190 nan 0.000 0.436 514 V N 2.567 122.630 119.914 0.248 0.000 2.686 514 V HA 0.812 4.932 4.120 -0.000 0.000 0.295 514 V C -0.394 175.757 176.094 0.096 0.000 1.057 514 V CA -0.455 61.966 62.300 0.202 0.000 1.012 514 V CB 1.052 32.947 31.823 0.119 0.000 1.006 514 V HN 1.070 nan 8.190 nan 0.000 0.477 515 K N 1.811 122.243 120.400 0.053 0.000 2.587 515 K HA 0.670 4.990 4.320 -0.000 0.000 0.276 515 K C 0.067 176.655 176.600 -0.021 0.000 0.956 515 K CA -0.521 55.752 56.287 -0.022 0.000 0.857 515 K CB 1.388 33.827 32.500 -0.102 0.000 1.431 515 K HN 2.003 nan 8.250 nan 0.000 0.420 516 G N 0.762 109.544 108.800 -0.030 0.000 2.149 516 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.235 516 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.235 516 G C 0.534 175.412 174.900 -0.036 0.000 1.018 516 G CA 0.109 45.190 45.100 -0.030 0.000 0.728 516 G HN 0.663 nan 8.290 nan 0.000 0.508 517 C N -0.271 119.004 119.300 -0.042 0.000 2.485 517 C HA 0.147 4.607 4.460 -0.000 0.000 0.277 517 C C 2.576 177.521 174.990 -0.074 0.000 1.376 517 C CA 1.065 60.041 59.018 -0.070 0.000 1.759 517 C CB -0.447 27.251 27.740 -0.070 0.000 1.970 517 C HN 0.600 nan 8.230 nan 0.000 0.509 518 R N 1.201 121.669 120.500 -0.054 0.000 2.173 518 R HA -0.003 4.337 4.340 -0.000 0.000 0.208 518 R C 1.996 178.268 176.300 -0.046 0.000 1.035 518 R CA 1.603 57.674 56.100 -0.049 0.000 1.004 518 R CB -1.446 28.832 30.300 -0.038 0.000 0.917 518 R HN 0.688 nan 8.270 nan 0.000 0.462 519 T N -0.515 114.013 114.554 -0.043 0.000 3.067 519 T HA 0.066 4.416 4.350 -0.000 0.000 0.261 519 T C 1.243 175.918 174.700 -0.042 0.000 1.110 519 T CA 0.004 62.081 62.100 -0.038 0.000 1.113 519 T CB -0.492 68.357 68.868 -0.032 0.000 0.917 519 T HN 0.028 nan 8.240 nan 0.000 0.499 520 V N 1.385 121.267 119.914 -0.053 0.000 2.811 520 V HA 0.547 4.667 4.120 -0.000 0.000 0.302 520 V C -0.354 175.704 176.094 -0.061 0.000 1.063 520 V CA -1.058 61.206 62.300 -0.060 0.000 1.088 520 V CB 0.649 32.427 31.823 -0.076 0.000 0.982 520 V HN 0.706 nan 8.190 nan 0.000 0.485 521 Q N 1.892 121.658 119.800 -0.056 0.000 2.615 521 Q HA 0.520 4.860 4.340 -0.000 0.000 0.298 521 Q C 0.388 176.356 176.000 -0.053 0.000 1.023 521 Q CA -1.087 54.686 55.803 -0.050 0.000 0.768 521 Q CB 1.581 30.298 28.738 -0.034 0.000 1.500 521 Q HN 0.397 nan 8.270 nan 0.000 0.441 522 K N 0.828 121.201 120.400 -0.045 0.000 2.127 522 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 522 K C 1.779 178.356 176.600 -0.039 0.000 1.047 522 K CA 2.515 58.775 56.287 -0.046 0.000 0.927 522 K CB -0.882 31.599 32.500 -0.032 0.000 0.716 522 K HN 0.673 nan 8.250 nan 0.000 0.450 523 A N 0.471 123.273 122.820 -0.031 0.000 2.070 523 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 523 A C 1.368 178.932 177.584 -0.034 0.000 1.159 523 A CA 1.839 53.861 52.037 -0.024 0.000 0.656 523 A CB -0.384 18.605 19.000 -0.018 0.000 0.800 523 A HN 0.390 nan 8.150 nan 0.000 0.453 524 D N -0.488 119.884 120.400 -0.046 0.000 2.347 524 D HA 0.031 4.671 4.640 -0.000 0.000 0.213 524 D C 0.357 176.608 176.300 -0.082 0.000 0.985 524 D CA 0.303 54.267 54.000 -0.059 0.000 0.879 524 D CB -0.102 40.663 40.800 -0.058 0.000 0.919 524 D HN 0.299 nan 8.370 nan 0.000 0.526 525 M N 1.786 121.338 119.600 -0.079 0.000 2.292 525 M HA 0.070 4.550 4.480 -0.000 0.000 0.342 525 M C -0.014 176.219 176.300 -0.111 0.000 1.538 525 M CA -0.229 55.014 55.300 -0.094 0.000 1.163 525 M CB 0.735 33.288 32.600 -0.077 0.000 1.823 525 M HN -0.325 nan 8.290 nan 0.000 0.462 526 V N 6.232 126.034 119.914 -0.188 0.000 2.509 526 V HA -0.106 4.014 4.120 -0.000 0.000 0.297 526 V C 1.190 177.158 176.094 -0.210 0.000 1.014 526 V CA 0.407 62.514 62.300 -0.323 0.000 1.127 526 V CB -0.904 30.599 31.823 -0.533 0.000 0.925 526 V HN 0.902 nan 8.190 nan 0.000 0.480 527 H N 2.556 121.646 119.070 0.033 0.000 3.329 527 H HA -0.165 4.391 4.556 -0.000 0.000 0.245 527 H C 0.586 175.941 175.328 0.045 0.000 1.099 527 H CA 1.375 57.477 56.048 0.089 0.000 1.186 527 H CB -1.281 28.468 29.762 -0.022 0.000 1.243 527 H HN 0.853 nan 8.280 nan 0.000 0.319 528 N N 0.073 118.823 118.700 0.083 0.000 2.687 528 N HA 0.136 4.876 4.740 -0.000 0.000 0.275 528 N C 0.155 175.672 175.510 0.011 0.000 1.789 528 N CA 0.652 53.723 53.050 0.035 0.000 0.806 528 N CB 1.039 39.520 38.487 -0.011 0.000 1.256 528 N HN 0.297 nan 8.380 nan 0.000 0.500 529 S N -0.745 114.974 115.700 0.032 0.000 2.650 529 S HA 0.153 4.623 4.470 -0.000 0.000 0.240 529 S C 0.356 174.964 174.600 0.015 0.000 1.007 529 S CA -0.400 57.807 58.200 0.011 0.000 0.984 529 S CB 0.298 63.505 63.200 0.012 0.000 0.910 529 S HN 0.224 nan 8.310 nan 0.000 0.509 530 L N 2.809 124.048 121.223 0.027 0.000 2.453 530 L HA 0.335 4.675 4.340 -0.000 0.000 0.272 530 L C -0.176 176.700 176.870 0.010 0.000 1.182 530 L CA 0.937 55.791 54.840 0.024 0.000 0.858 530 L CB 0.402 42.483 42.059 0.037 0.000 1.120 530 L HN 0.319 nan 8.230 nan 0.000 0.474 531 Q N 7.036 126.834 119.800 -0.002 0.000 2.607 531 Q HA 0.390 4.730 4.340 -0.000 0.000 0.247 531 Q C -2.248 173.739 176.000 -0.022 0.000 1.033 531 Q CA -1.698 54.092 55.803 -0.021 0.000 0.769 531 Q CB 1.137 29.852 28.738 -0.039 0.000 1.169 531 Q HN 0.549 nan 8.270 nan 0.000 0.508 532 P HA 0.075 nan 4.420 nan 0.000 0.277 532 P C -0.605 176.682 177.300 -0.021 0.000 1.240 532 P CA -0.513 62.584 63.100 -0.004 0.000 0.798 532 P CB 0.914 32.625 31.700 0.018 0.000 0.979 533 N N 2.102 120.790 118.700 -0.020 0.000 2.807 533 N HA 0.156 4.895 4.740 -0.000 0.000 0.259 533 N C -0.543 174.961 175.510 -0.009 0.000 1.149 533 N CA -0.231 52.803 53.050 -0.027 0.000 1.042 533 N CB -1.022 37.451 38.487 -0.023 0.000 1.367 533 N HN 0.413 nan 8.380 nan 0.000 0.516 534 I N 2.064 122.632 120.570 -0.002 0.000 2.437 534 I HA 0.474 4.644 4.170 -0.000 0.000 0.298 534 I C -0.363 175.765 176.117 0.019 0.000 0.984 534 I CA -0.328 60.982 61.300 0.017 0.000 1.214 534 I CB 1.154 39.177 38.000 0.039 0.000 1.365 534 I HN 0.456 nan 8.210 nan 0.000 0.469 535 T N 3.843 118.409 114.554 0.020 0.000 2.906 535 T HA 0.685 5.035 4.350 -0.000 0.000 0.295 535 T C -0.945 173.771 174.700 0.026 0.000 1.061 535 T CA -0.727 61.385 62.100 0.019 0.000 1.000 535 T CB 1.829 70.703 68.868 0.009 0.000 1.103 535 T HN 0.287 nan 8.240 nan 0.000 0.486 536 V N 1.876 121.807 119.914 0.029 0.000 2.531 536 V HA 0.393 4.513 4.120 -0.000 0.000 0.301 536 V C -0.344 175.778 176.094 0.046 0.000 1.034 536 V CA -0.907 61.419 62.300 0.044 0.000 0.865 536 V CB 1.701 33.553 31.823 0.049 0.000 0.995 536 V HN 1.071 nan 8.190 nan 0.000 0.424 537 D N 3.577 124.011 120.400 0.056 0.000 2.371 537 D HA 0.224 4.864 4.640 -0.000 0.000 0.256 537 D C 1.144 177.492 176.300 0.080 0.000 1.193 537 D CA 0.445 54.467 54.000 0.038 0.000 0.881 537 D CB 2.100 42.906 40.800 0.010 0.000 1.143 537 D HN 0.672 nan 8.370 nan 0.000 0.473 538 A N 4.352 127.198 122.820 0.043 0.000 1.948 538 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 538 A C 1.939 179.563 177.584 0.067 0.000 1.177 538 A CA 1.674 53.752 52.037 0.068 0.000 0.636 538 A CB -0.148 18.842 19.000 -0.017 0.000 0.815 538 A HN 0.708 nan 8.150 nan 0.000 0.449 539 Q N -1.239 118.526 119.800 -0.059 0.000 2.084 539 Q HA -0.030 4.310 4.340 -0.000 0.000 0.194 539 Q C 2.278 177.999 176.000 -0.464 0.000 0.969 539 Q CA 1.718 57.404 55.803 -0.196 0.000 0.829 539 Q CB -0.351 28.310 28.738 -0.129 0.000 0.904 539 Q HN 0.770 nan 8.270 nan 0.000 0.464 540 T N -2.761 111.617 114.554 -0.294 0.000 3.067 540 T HA -0.066 4.283 4.350 -0.000 0.000 0.261 540 T C -0.105 174.461 174.700 -0.223 0.000 1.110 540 T CA 0.372 62.294 62.100 -0.298 0.000 1.113 540 T CB -0.067 68.727 68.868 -0.123 0.000 0.917 540 T HN 0.300 nan 8.240 nan 0.000 0.499 541 Y N 0.369 120.659 120.300 -0.018 0.000 4.907 541 Y HA -0.184 4.366 4.550 -0.000 0.000 0.246 541 Y C 0.285 176.170 175.900 -0.025 0.000 0.968 541 Y CA -0.316 57.772 58.100 -0.021 0.000 1.961 541 Y CB -2.911 35.535 38.460 -0.024 0.000 1.487 541 Y HN 0.506 nan 8.280 nan 0.000 0.575 542 E N 0.386 120.645 120.200 0.098 0.000 2.384 542 E HA 0.352 4.702 4.350 -0.000 0.000 0.266 542 E C 0.003 176.628 176.600 0.042 0.000 1.012 542 E CA -0.112 56.318 56.400 0.049 0.000 0.901 542 E CB 1.060 30.771 29.700 0.018 0.000 0.967 542 E HN 0.032 nan 8.360 nan 0.000 0.435 543 V N 4.620 124.548 119.914 0.024 0.000 2.439 543 V HA 0.358 4.478 4.120 -0.000 0.000 0.282 543 V C 0.141 176.242 176.094 0.011 0.000 1.039 543 V CA -0.383 61.927 62.300 0.017 0.000 0.913 543 V CB 1.102 32.926 31.823 0.002 0.000 0.983 543 V HN 0.608 nan 8.190 nan 0.000 0.460 544 R N 2.965 123.472 120.500 0.013 0.000 2.628 544 R HA 0.754 5.094 4.340 -0.000 0.000 0.288 544 R C -1.695 174.610 176.300 0.010 0.000 0.980 544 R CA -0.696 55.409 56.100 0.009 0.000 0.891 544 R CB 2.629 32.933 30.300 0.007 0.000 1.188 544 R HN 0.500 nan 8.270 nan 0.000 0.450 545 V N 3.257 123.176 119.914 0.008 0.000 2.409 545 V HA 0.161 4.281 4.120 -0.000 0.000 0.291 545 V C -0.254 175.843 176.094 0.004 0.000 1.020 545 V CA -0.484 61.821 62.300 0.008 0.000 0.848 545 V CB 1.568 33.397 31.823 0.010 0.000 0.990 545 V HN 0.868 nan 8.190 nan 0.000 0.430 546 D N 4.317 124.717 120.400 0.001 0.000 2.911 546 D HA -0.214 4.426 4.640 -0.000 0.000 0.227 546 D C 1.368 177.668 176.300 -0.000 0.000 1.164 546 D CA 1.846 55.845 54.000 -0.001 0.000 0.782 546 D CB -1.077 39.723 40.800 -0.000 0.000 1.094 546 D HN 1.368 nan 8.370 nan 0.000 0.425 547 G N -0.081 108.719 108.800 0.001 0.000 2.284 547 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.247 547 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.247 547 G C 0.151 175.052 174.900 0.002 0.000 1.012 547 G CA 0.733 45.833 45.100 0.001 0.000 0.618 547 G HN 0.725 nan 8.290 nan 0.000 0.521 548 E N 1.160 121.362 120.200 0.003 0.000 2.354 548 E HA 0.541 4.891 4.350 -0.000 0.000 0.269 548 E C 0.046 176.649 176.600 0.005 0.000 1.036 548 E CA -0.960 55.443 56.400 0.005 0.000 0.876 548 E CB 1.496 31.200 29.700 0.006 0.000 1.009 548 E HN 0.366 nan 8.360 nan 0.000 0.416 549 L N 4.141 125.367 121.223 0.006 0.000 2.367 549 L HA 0.195 4.535 4.340 -0.000 0.000 0.275 549 L C -0.764 176.110 176.870 0.006 0.000 1.129 549 L CA -0.135 54.708 54.840 0.006 0.000 0.839 549 L CB 0.598 42.661 42.059 0.006 0.000 1.133 549 L HN 0.568 nan 8.230 nan 0.000 0.453 550 I N 4.983 125.555 120.570 0.003 0.000 2.354 550 I HA 0.510 4.680 4.170 -0.000 0.000 0.292 550 I C 0.257 176.370 176.117 -0.007 0.000 0.989 550 I CA -0.099 61.200 61.300 -0.001 0.000 1.188 550 I CB 0.884 38.879 38.000 -0.008 0.000 1.342 550 I HN 0.695 nan 8.210 nan 0.000 0.457 551 T N 4.011 118.567 114.554 0.003 0.000 2.718 551 T HA 0.688 5.038 4.350 -0.000 0.000 0.306 551 T C -1.185 173.538 174.700 0.037 0.000 1.485 551 T CA -0.279 61.825 62.100 0.007 0.000 0.997 551 T CB 1.480 70.358 68.868 0.017 0.000 1.504 551 T HN 0.801 nan 8.240 nan 0.000 0.497 552 S N 0.779 116.526 115.700 0.079 0.000 2.643 552 S HA 0.753 5.223 4.470 -0.000 0.000 0.270 552 S C -1.814 172.916 174.600 0.218 0.000 1.166 552 S CA -0.969 57.307 58.200 0.126 0.000 0.815 552 S CB 1.897 65.173 63.200 0.127 0.000 1.139 552 S HN 0.658 nan 8.310 nan 0.000 0.472 553 E N 1.771 122.059 120.200 0.147 0.000 2.204 553 E HA 0.503 4.853 4.350 -0.000 0.000 0.276 553 E C -2.625 173.917 176.600 -0.096 0.000 0.974 553 E CA -2.262 54.180 56.400 0.070 0.000 0.815 553 E CB 1.558 31.267 29.700 0.015 0.000 1.119 553 E HN 0.495 nan 8.360 nan 0.000 0.393 554 P HA 0.122 nan 4.420 nan 0.000 0.276 554 P C -0.856 176.255 177.300 -0.314 0.000 1.235 554 P CA -0.225 62.411 63.100 -0.772 0.000 0.772 554 P CB 0.787 31.884 31.700 -1.005 0.000 0.871 555 A N 3.603 126.296 122.820 -0.212 0.000 2.401 555 A HA 0.194 4.514 4.320 -0.000 0.000 0.259 555 A C 1.286 178.820 177.584 -0.083 0.000 1.103 555 A CA -0.399 51.584 52.037 -0.090 0.000 0.789 555 A CB 0.066 19.052 19.000 -0.023 0.000 1.035 555 A HN 0.640 nan 8.150 nan 0.000 0.491 556 D N 1.186 121.556 120.400 -0.049 0.000 2.240 556 D HA 0.054 4.694 4.640 -0.000 0.000 0.206 556 D C 0.231 176.521 176.300 -0.017 0.000 0.963 556 D CA 0.690 54.667 54.000 -0.037 0.000 0.863 556 D CB -0.112 40.671 40.800 -0.029 0.000 0.973 556 D HN 0.210 nan 8.370 nan 0.000 0.501 557 V N 0.637 120.550 119.914 -0.002 0.000 2.925 557 V HA 0.443 4.563 4.120 -0.000 0.000 0.311 557 V C -0.600 175.504 176.094 0.018 0.000 1.104 557 V CA -0.902 61.402 62.300 0.008 0.000 0.954 557 V CB 2.778 34.606 31.823 0.009 0.000 1.022 557 V HN 0.051 nan 8.190 nan 0.000 0.427 558 L N 3.747 124.975 121.223 0.008 0.000 2.371 558 L HA 0.652 4.992 4.340 -0.000 0.000 0.262 558 L C -2.529 174.313 176.870 -0.046 0.000 1.006 558 L CA -1.713 53.120 54.840 -0.012 0.000 0.818 558 L CB 2.904 44.966 42.059 0.005 0.000 1.354 558 L HN 0.464 nan 8.230 nan 0.000 0.415 559 P HA 0.372 nan 4.420 nan 0.000 0.282 559 P C -0.323 176.978 177.300 0.002 0.000 1.287 559 P CA -0.570 62.457 63.100 -0.121 0.000 0.792 559 P CB 0.413 31.914 31.700 -0.332 0.000 1.163 560 M N -2.632 117.032 119.600 0.108 0.000 2.393 560 M HA -0.279 4.201 4.480 -0.000 0.000 0.201 560 M C 0.238 176.701 176.300 0.272 0.000 0.403 560 M CA 0.787 56.146 55.300 0.098 0.000 0.471 560 M CB -2.206 30.364 32.600 -0.050 0.000 1.669 560 M HN 0.494 nan 8.290 nan 0.000 0.864 561 A N -0.241 122.776 122.820 0.329 0.000 2.751 561 A HA 0.304 4.624 4.320 -0.000 0.000 0.201 561 A C 1.055 178.858 177.584 0.365 0.000 1.619 561 A CA 0.198 52.421 52.037 0.311 0.000 1.607 561 A CB 0.053 19.135 19.000 0.136 0.000 1.580 561 A HN 0.455 nan 8.150 nan 0.000 0.499 562 Q N -0.185 119.727 119.800 0.187 0.000 2.439 562 Q HA -0.108 4.232 4.340 -0.000 0.000 0.211 562 Q C 1.882 177.907 176.000 0.041 0.000 0.978 562 Q CA 1.263 57.142 55.803 0.126 0.000 0.897 562 Q CB -0.098 28.674 28.738 0.057 0.000 0.956 562 Q HN 0.543 nan 8.270 nan 0.000 0.483 563 R N -0.531 119.949 120.500 -0.034 0.000 2.240 563 R HA -0.088 4.252 4.340 -0.000 0.000 0.203 563 R C 0.681 176.701 176.300 -0.467 0.000 1.011 563 R CA 0.894 56.815 56.100 -0.298 0.000 1.007 563 R CB 0.312 30.327 30.300 -0.474 0.000 0.911 563 R HN 0.268 nan 8.270 nan 0.000 0.468 564 Y N -1.833 118.417 120.300 -0.085 0.000 2.483 564 Y HA 0.271 4.821 4.550 -0.000 0.000 0.258 564 Y C -0.134 175.518 175.900 -0.415 0.000 1.083 564 Y CA -0.468 57.477 58.100 -0.259 0.000 1.283 564 Y CB 0.570 38.758 38.460 -0.454 0.000 1.178 564 Y HN -0.164 nan 8.280 nan 0.000 0.515 565 F N -0.060 119.998 119.950 0.180 0.000 2.443 565 F HA 0.276 4.803 4.527 -0.000 0.000 0.335 565 F C 0.788 176.605 175.800 0.030 0.000 1.104 565 F CA -0.874 57.200 58.000 0.124 0.000 1.013 565 F CB 1.479 40.555 39.000 0.126 0.000 1.136 565 F HN -0.209 nan 8.300 nan 0.000 0.470 566 L N 2.324 123.656 121.223 0.183 0.000 2.217 566 L HA 0.153 4.493 4.340 -0.000 0.000 0.211 566 L C -0.477 176.176 176.870 -0.361 0.000 1.107 566 L CA 1.781 56.563 54.840 -0.098 0.000 0.783 566 L CB -0.403 41.610 42.059 -0.078 0.000 0.919 566 L HN 0.456 nan 8.230 nan 0.000 0.442 567 F N 0.000 120.040 119.950 0.150 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.050 58.000 0.083 0.000 1.383 567 F CB 0.000 39.030 39.000 0.050 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574