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 1v5e_1_A DATA FIRST_RESID 3 DATA SEQUENCE DNKINIGLAV MKILESWGAD TIYGIPSGTL SSLMDAMGEE ENNVKFLQVK DATA SEQUENCE HEEVGAMAAV MQSKFGGNLG VTVGSGGPGA SHLINGLYDA AMDNIPVVAI DATA SEQUENCE LGSRPQRELN MDAFQELNQN PMYDHIAVYN RRVAYAEQLP KLVDEAARMA DATA SEQUENCE IAKRGVAVLE VPGDFAKVEI DNDQWYSSAN SLRKYAPIAP AAQDIDAAVE DATA SEQUENCE LLNNSKRPVI YAGIGTMGHG PAVQELARKI KAPVITTGKN FETFEWDFEA DATA SEQUENCE LTGSTYRVGW KPANETILEA DTVLFAGSNF PFSEVEGTFR NVDNFIQIDI DATA SEQUENCE DPAMLGKRHH ADVAILGDAA LAIDEILNKV DAVEESAWWT ANLKNIANWR DATA SEQUENCE EYINMLETKE EGDLQFYQVY NAINNHADED AIYSIDVGNS TQTSIRHLHM DATA SEQUENCE TPKNMWRTSP LFATMGIAIP GGLGAKNTYP DRQVWNIIGD GAFSMTYPDV DATA SEQUENCE VTNVRYNMPV INVVFSNTEY AFIKNKYEDT NKNLFGVDFT DVDYAKIAEA DATA SEQUENCE QGAKGFTVSR IEDMDRVMAE AVAANKAGHT VVIDCKITQD RPIPVETLKL DATA SEQUENCE DSKLYSEDEI KAYKERYEAA NLVPFREYLE AEGLESKYIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.321 176.300 0.035 0.000 2.045 3 D CA 0.000 54.019 54.000 0.031 0.000 0.868 3 D CB 0.000 40.813 40.800 0.021 0.000 0.688 4 N N -0.800 117.930 118.700 0.050 0.000 2.473 4 N HA 0.210 4.950 4.740 0.001 0.000 0.265 4 N C -1.765 173.784 175.510 0.066 0.000 1.610 4 N CA 0.043 53.122 53.050 0.048 0.000 1.574 4 N CB 0.226 38.737 38.487 0.040 0.000 1.164 4 N HN 0.303 nan 8.380 nan 0.000 1.198 5 K N 0.689 121.128 120.400 0.066 0.000 2.350 5 K HA 0.742 5.062 4.320 0.001 0.000 0.241 5 K C -1.136 175.513 176.600 0.082 0.000 0.994 5 K CA -0.592 55.740 56.287 0.074 0.000 0.839 5 K CB 1.928 34.458 32.500 0.051 0.000 1.244 5 K HN 0.453 nan 8.250 nan 0.000 0.443 6 I N 0.396 121.014 120.570 0.081 0.000 2.775 6 I HA 0.306 4.477 4.170 0.001 0.000 0.295 6 I C -1.391 174.724 176.117 -0.004 0.000 1.287 6 I CA -0.856 60.473 61.300 0.049 0.000 1.029 6 I CB 2.100 40.153 38.000 0.088 0.000 1.282 6 I HN 0.898 nan 8.210 nan 0.000 0.426 7 N N 6.321 125.000 118.700 -0.034 0.000 2.513 7 N HA 0.145 4.886 4.740 0.001 0.000 0.268 7 N C 0.896 176.345 175.510 -0.101 0.000 1.180 7 N CA 0.034 53.056 53.050 -0.047 0.000 0.948 7 N CB 1.167 39.629 38.487 -0.041 0.000 1.083 7 N HN 0.684 nan 8.380 nan 0.000 0.455 8 I N 2.938 123.460 120.570 -0.080 0.000 2.264 8 I HA -0.217 3.953 4.170 0.001 0.000 0.248 8 I C 2.273 178.308 176.117 -0.137 0.000 1.111 8 I CA 1.333 62.565 61.300 -0.114 0.000 1.382 8 I CB -0.420 37.549 38.000 -0.052 0.000 1.060 8 I HN 0.730 nan 8.210 nan 0.000 0.418 9 G N 0.935 109.681 108.800 -0.090 0.000 2.418 9 G HA2 -0.266 3.695 3.960 0.001 0.000 0.217 9 G HA3 -0.266 3.695 3.960 0.001 0.000 0.217 9 G C 1.635 176.457 174.900 -0.129 0.000 1.158 9 G CA 0.566 45.613 45.100 -0.088 0.000 0.771 9 G HN 0.275 nan 8.290 nan 0.000 0.545 10 L N 1.273 122.410 121.223 -0.143 0.000 2.093 10 L HA 0.240 4.580 4.340 0.001 0.000 0.208 10 L C 3.023 179.717 176.870 -0.293 0.000 1.085 10 L CA 1.960 56.702 54.840 -0.163 0.000 0.755 10 L CB -0.671 41.316 42.059 -0.121 0.000 0.904 10 L HN 0.221 nan 8.230 nan 0.000 0.435 11 A N -1.052 121.495 122.820 -0.455 0.000 1.908 11 A HA -0.161 4.160 4.320 0.001 0.000 0.218 11 A C 2.275 179.478 177.584 -0.635 0.000 1.181 11 A CA 2.017 53.500 52.037 -0.924 0.000 0.627 11 A CB -1.129 17.209 19.000 -1.104 0.000 0.818 11 A HN 0.296 nan 8.150 nan 0.000 0.445 12 V N -0.024 119.684 119.914 -0.343 0.000 2.343 12 V HA -0.295 3.825 4.120 0.001 0.000 0.247 12 V C 2.675 178.693 176.094 -0.127 0.000 1.051 12 V CA 2.057 64.246 62.300 -0.186 0.000 1.036 12 V CB -0.633 31.123 31.823 -0.112 0.000 0.654 12 V HN 0.515 nan 8.190 nan 0.000 0.451 13 M N -0.589 118.934 119.600 -0.129 0.000 2.175 13 M HA -0.127 4.354 4.480 0.001 0.000 0.264 13 M C 2.106 178.377 176.300 -0.049 0.000 1.063 13 M CA 1.582 56.841 55.300 -0.069 0.000 1.119 13 M CB -1.101 31.461 32.600 -0.063 0.000 1.377 13 M HN 0.328 nan 8.290 nan 0.000 0.415 14 K N 0.207 120.540 120.400 -0.112 0.000 2.057 14 K HA -0.045 4.275 4.320 0.001 0.000 0.206 14 K C 1.997 178.639 176.600 0.069 0.000 1.050 14 K CA 1.049 57.319 56.287 -0.029 0.000 0.935 14 K CB -0.146 32.309 32.500 -0.075 0.000 0.715 14 K HN 0.261 nan 8.250 nan 0.000 0.439 15 I N 1.178 121.773 120.570 0.041 0.000 2.179 15 I HA -0.298 3.873 4.170 0.001 0.000 0.242 15 I C 2.198 178.482 176.117 0.277 0.000 1.088 15 I CA 1.205 62.631 61.300 0.210 0.000 1.357 15 I CB -0.239 37.865 38.000 0.173 0.000 1.051 15 I HN 0.123 nan 8.210 nan 0.000 0.409 16 L N 0.341 121.659 121.223 0.159 0.000 2.042 16 L HA -0.261 4.079 4.340 0.001 0.000 0.210 16 L C 2.622 179.594 176.870 0.171 0.000 1.076 16 L CA 1.693 56.630 54.840 0.162 0.000 0.749 16 L CB -0.643 41.457 42.059 0.068 0.000 0.893 16 L HN 0.342 nan 8.230 nan 0.000 0.432 17 E N 0.199 120.463 120.200 0.107 0.000 2.110 17 E HA -0.234 4.117 4.350 0.001 0.000 0.193 17 E C 2.232 178.879 176.600 0.078 0.000 0.988 17 E CA 1.456 57.904 56.400 0.079 0.000 0.804 17 E CB 0.067 29.796 29.700 0.049 0.000 0.745 17 E HN 0.512 nan 8.360 nan 0.000 0.458 18 S N -0.644 115.102 115.700 0.077 0.000 2.423 18 S HA -0.152 4.318 4.470 0.001 0.000 0.231 18 S C 1.410 175.940 174.600 -0.117 0.000 1.014 18 S CA 0.752 58.931 58.200 -0.034 0.000 0.965 18 S CB -0.671 62.486 63.200 -0.070 0.000 0.785 18 S HN 0.485 nan 8.310 nan 0.000 0.495 19 W N 1.650 122.963 121.300 0.022 0.000 3.256 19 W HA 0.452 5.112 4.660 0.001 0.000 0.269 19 W C 1.769 178.291 176.519 0.005 0.000 1.310 19 W CA 0.237 57.588 57.345 0.010 0.000 1.673 19 W CB -0.131 29.329 29.460 -0.000 0.000 1.115 19 W HN 0.521 nan 8.180 nan 0.000 0.686 20 G N 0.103 109.005 108.800 0.170 0.000 2.176 20 G HA2 -0.244 3.717 3.960 0.001 0.000 0.253 20 G HA3 -0.244 3.717 3.960 0.001 0.000 0.253 20 G C 0.472 175.433 174.900 0.101 0.000 0.979 20 G CA -0.151 45.013 45.100 0.107 0.000 0.641 20 G HN 0.477 nan 8.290 nan 0.000 0.530 21 A N 1.066 123.965 122.820 0.132 0.000 2.990 21 A HA 0.556 4.876 4.320 0.001 0.000 0.282 21 A C 1.117 178.735 177.584 0.058 0.000 1.688 21 A CA 0.883 52.974 52.037 0.090 0.000 1.391 21 A CB -0.396 18.657 19.000 0.089 0.000 1.112 21 A HN 0.663 nan 8.150 nan 0.000 0.588 22 D N -0.111 120.308 120.400 0.032 0.000 2.339 22 D HA 0.066 4.706 4.640 0.001 0.000 0.217 22 D C 0.064 176.341 176.300 -0.038 0.000 1.050 22 D CA 0.418 54.419 54.000 0.003 0.000 0.856 22 D CB 0.151 40.949 40.800 -0.004 0.000 0.922 22 D HN 0.189 nan 8.370 nan 0.000 0.518 23 T N 0.575 115.098 114.554 -0.052 0.000 2.881 23 T HA 0.470 4.820 4.350 0.001 0.000 0.291 23 T C -0.338 174.268 174.700 -0.156 0.000 0.990 23 T CA -0.573 61.419 62.100 -0.179 0.000 0.976 23 T CB 1.551 70.248 68.868 -0.286 0.000 0.970 23 T HN 0.027 nan 8.240 nan 0.000 0.438 24 I N 3.362 123.832 120.570 -0.166 0.000 2.378 24 I HA 0.428 4.598 4.170 0.001 0.000 0.291 24 I C -0.988 175.023 176.117 -0.177 0.000 0.992 24 I CA -0.983 60.314 61.300 -0.005 0.000 1.154 24 I CB 1.231 39.332 38.000 0.167 0.000 1.315 24 I HN 0.578 nan 8.210 nan 0.000 0.448 25 Y N 4.144 124.410 120.300 -0.057 0.000 2.360 25 Y HA 0.790 5.340 4.550 0.001 0.000 0.337 25 Y C 0.777 176.649 175.900 -0.047 0.000 1.039 25 Y CA -0.291 57.707 58.100 -0.171 0.000 1.109 25 Y CB 1.935 40.320 38.460 -0.125 0.000 1.201 25 Y HN 0.730 nan 8.280 nan 0.000 0.458 26 G N 1.684 110.498 108.800 0.022 0.000 2.367 26 G HA2 0.366 4.326 3.960 0.001 0.000 0.272 26 G HA3 0.366 4.326 3.960 0.001 0.000 0.272 26 G C -2.051 173.009 174.900 0.267 0.000 1.271 26 G CA -0.952 44.269 45.100 0.201 0.000 0.893 26 G HN 0.452 nan 8.290 nan 0.000 0.485 27 I N 2.217 123.000 120.570 0.354 0.000 2.533 27 I HA 0.385 4.555 4.170 0.001 0.000 0.290 27 I C -2.163 174.112 176.117 0.263 0.000 1.056 27 I CA -2.003 59.495 61.300 0.330 0.000 1.057 27 I CB 2.812 40.913 38.000 0.169 0.000 1.240 27 I HN 0.303 nan 8.210 nan 0.000 0.423 28 P HA 0.146 nan 4.420 nan 0.000 0.269 28 P C -0.768 176.541 177.300 0.016 0.000 1.209 28 P CA 0.067 63.165 63.100 -0.002 0.000 0.776 28 P CB 1.124 32.797 31.700 -0.046 0.000 0.876 29 S N -0.163 115.526 115.700 -0.019 0.000 2.587 29 S HA 0.503 4.973 4.470 0.001 0.000 0.269 29 S C 1.119 175.707 174.600 -0.020 0.000 1.154 29 S CA -0.248 57.949 58.200 -0.004 0.000 0.824 29 S CB 0.891 64.095 63.200 0.007 0.000 1.118 29 S HN 0.436 nan 8.310 nan 0.000 0.462 30 G N 0.763 109.559 108.800 -0.006 0.000 2.432 30 G HA2 -0.084 3.876 3.960 0.001 0.000 0.219 30 G HA3 -0.084 3.876 3.960 0.001 0.000 0.219 30 G C 1.218 176.103 174.900 -0.025 0.000 1.135 30 G CA 1.454 46.547 45.100 -0.010 0.000 0.767 30 G HN 1.357 nan 8.290 nan 0.000 0.550 31 T N -1.539 112.998 114.554 -0.028 0.000 3.148 31 T HA 0.324 4.675 4.350 0.001 0.000 0.253 31 T C 1.692 176.360 174.700 -0.053 0.000 1.134 31 T CA 0.360 62.432 62.100 -0.048 0.000 1.051 31 T CB 0.016 68.851 68.868 -0.055 0.000 0.959 31 T HN 0.216 nan 8.240 nan 0.000 0.525 32 L N 0.450 121.643 121.223 -0.049 0.000 2.993 32 L HA 0.223 4.564 4.340 0.001 0.000 0.264 32 L C 2.527 179.349 176.870 -0.081 0.000 1.154 32 L CA 0.409 55.214 54.840 -0.058 0.000 0.972 32 L CB 0.103 42.132 42.059 -0.051 0.000 1.373 32 L HN 0.280 nan 8.230 nan 0.000 0.564 33 S N -0.360 115.295 115.700 -0.074 0.000 2.365 33 S HA -0.221 4.249 4.470 0.001 0.000 0.225 33 S C 2.019 176.576 174.600 -0.073 0.000 1.039 33 S CA 1.821 59.972 58.200 -0.082 0.000 1.033 33 S CB -0.543 62.622 63.200 -0.058 0.000 0.887 33 S HN 0.330 nan 8.310 nan 0.000 0.447 34 S N 2.010 117.679 115.700 -0.052 0.000 2.383 34 S HA 0.036 4.506 4.470 0.001 0.000 0.229 34 S C 1.806 176.378 174.600 -0.046 0.000 1.030 34 S CA 1.432 59.609 58.200 -0.038 0.000 1.002 34 S CB -0.595 62.595 63.200 -0.017 0.000 0.829 34 S HN 0.434 nan 8.310 nan 0.000 0.467 35 L N 0.718 121.909 121.223 -0.054 0.000 2.007 35 L HA -0.052 4.289 4.340 0.001 0.000 0.205 35 L C 2.507 179.326 176.870 -0.085 0.000 1.073 35 L CA 1.222 56.026 54.840 -0.059 0.000 0.744 35 L CB -0.411 41.617 42.059 -0.051 0.000 0.898 35 L HN 0.348 nan 8.230 nan 0.000 0.435 36 M N -0.698 118.827 119.600 -0.125 0.000 2.202 36 M HA -0.239 4.241 4.480 0.001 0.000 0.262 36 M C 1.453 177.670 176.300 -0.139 0.000 1.063 36 M CA 1.490 56.680 55.300 -0.184 0.000 1.097 36 M CB -0.638 31.768 32.600 -0.323 0.000 1.382 36 M HN 0.171 nan 8.290 nan 0.000 0.413 37 D N 0.777 121.115 120.400 -0.104 0.000 2.263 37 D HA -0.075 4.566 4.640 0.001 0.000 0.208 37 D C 1.838 178.103 176.300 -0.059 0.000 0.971 37 D CA 1.263 55.218 54.000 -0.074 0.000 0.867 37 D CB -0.014 40.752 40.800 -0.057 0.000 0.929 37 D HN 0.369 nan 8.370 nan 0.000 0.492 38 A N -0.158 122.625 122.820 -0.062 0.000 2.123 38 A HA 0.085 4.406 4.320 0.001 0.000 0.214 38 A C 1.046 178.600 177.584 -0.050 0.000 1.152 38 A CA -0.002 52.002 52.037 -0.055 0.000 0.728 38 A CB -0.335 18.625 19.000 -0.066 0.000 0.814 38 A HN 0.128 nan 8.150 nan 0.000 0.464 39 M N 0.451 120.019 119.600 -0.053 0.000 2.260 39 M HA 0.336 4.816 4.480 0.001 0.000 0.348 39 M C 1.028 177.316 176.300 -0.021 0.000 1.342 39 M CA 1.252 56.531 55.300 -0.035 0.000 1.040 39 M CB -0.349 32.229 32.600 -0.037 0.000 1.810 39 M HN 0.598 nan 8.290 nan 0.000 0.453 40 G N 2.025 110.819 108.800 -0.011 0.000 2.760 40 G HA2 -0.125 3.835 3.960 0.001 0.000 0.246 40 G HA3 -0.125 3.835 3.960 0.001 0.000 0.246 40 G C -0.863 174.032 174.900 -0.007 0.000 1.359 40 G CA -0.619 44.478 45.100 -0.004 0.000 0.861 40 G HN 0.807 nan 8.290 nan 0.000 0.541 41 E N -0.680 119.519 120.200 -0.002 0.000 8.696 41 E HA -0.172 4.179 4.350 0.001 0.000 0.467 41 E C 0.767 177.367 176.600 0.000 0.000 1.149 41 E CA 1.295 57.694 56.400 -0.002 0.000 1.997 41 E CB -0.673 29.023 29.700 -0.006 0.000 1.008 41 E HN 1.654 nan 8.360 nan 0.000 0.278 42 E N 0.770 120.973 120.200 0.006 0.000 2.883 42 E HA -0.302 4.048 4.350 0.001 0.000 0.271 42 E C -0.116 176.493 176.600 0.016 0.000 1.049 42 E CA 1.500 57.908 56.400 0.013 0.000 0.817 42 E CB -1.120 28.586 29.700 0.010 0.000 1.407 42 E HN 0.676 nan 8.360 nan 0.000 0.434 43 E N -1.842 118.365 120.200 0.012 0.000 3.286 43 E HA -0.261 4.090 4.350 0.001 0.000 0.292 43 E C 0.099 176.707 176.600 0.013 0.000 0.928 43 E CA 0.870 57.278 56.400 0.013 0.000 0.982 43 E CB -1.439 28.271 29.700 0.017 0.000 1.500 43 E HN 0.432 nan 8.360 nan 0.000 0.441 44 N N 0.994 119.700 118.700 0.009 0.000 2.492 44 N HA 0.036 4.776 4.740 0.001 0.000 0.260 44 N C 0.375 175.889 175.510 0.007 0.000 1.215 44 N CA 0.654 53.709 53.050 0.007 0.000 0.923 44 N CB 0.469 38.954 38.487 -0.004 0.000 1.092 44 N HN 0.281 nan 8.380 nan 0.000 0.448 45 N N 1.778 120.483 118.700 0.009 0.000 2.203 45 N HA 0.081 4.822 4.740 0.001 0.000 0.207 45 N C -0.868 174.643 175.510 0.001 0.000 1.130 45 N CA -0.328 52.725 53.050 0.005 0.000 0.861 45 N CB 0.424 38.914 38.487 0.005 0.000 1.005 45 N HN 0.208 nan 8.380 nan 0.000 0.507 46 V N 2.322 122.238 119.914 0.004 0.000 2.521 46 V HA 0.091 4.211 4.120 0.001 0.000 0.286 46 V C 0.138 176.235 176.094 0.004 0.000 1.034 46 V CA 0.245 62.546 62.300 0.002 0.000 1.045 46 V CB 0.785 32.613 31.823 0.008 0.000 0.974 46 V HN 0.144 nan 8.190 nan 0.000 0.480 47 K N 4.184 124.574 120.400 -0.016 0.000 2.208 47 K HA 0.601 4.922 4.320 0.001 0.000 0.247 47 K C -1.001 175.598 176.600 -0.002 0.000 0.953 47 K CA -0.640 55.639 56.287 -0.012 0.000 0.837 47 K CB 2.116 34.577 32.500 -0.064 0.000 1.131 47 K HN 0.490 nan 8.250 nan 0.000 0.431 48 F N 2.494 122.360 119.950 -0.139 0.000 2.444 48 F HA 0.408 4.936 4.527 0.001 0.000 0.342 48 F C -1.134 174.508 175.800 -0.263 0.000 1.121 48 F CA -1.089 56.812 58.000 -0.166 0.000 0.997 48 F CB 0.792 39.753 39.000 -0.066 0.000 1.130 48 F HN 0.312 nan 8.300 nan 0.000 0.454 49 L N 7.023 127.587 121.223 -1.097 0.000 2.318 49 L HA 0.405 4.746 4.340 0.001 0.000 0.277 49 L C -0.641 175.553 176.870 -1.127 0.000 1.008 49 L CA -0.455 53.667 54.840 -1.197 0.000 0.846 49 L CB 0.952 42.335 42.059 -1.127 0.000 1.220 49 L HN 0.693 nan 8.230 nan 0.000 0.423 50 Q N 3.866 123.232 119.800 -0.723 0.000 2.295 50 Q HA 0.392 4.733 4.340 0.001 0.000 0.259 50 Q C -0.571 175.425 176.000 -0.006 0.000 0.976 50 Q CA -0.551 55.056 55.803 -0.327 0.000 0.923 50 Q CB 1.322 30.141 28.738 0.135 0.000 1.185 50 Q HN 0.625 nan 8.270 nan 0.000 0.410 51 V N 1.732 121.641 119.914 -0.008 0.000 3.302 51 V HA 0.445 4.566 4.120 0.001 0.000 0.316 51 V C 0.450 176.593 176.094 0.082 0.000 1.111 51 V CA -0.657 61.680 62.300 0.062 0.000 1.029 51 V CB 1.566 33.426 31.823 0.062 0.000 1.170 51 V HN 0.697 nan 8.190 nan 0.000 0.452 52 K N -0.716 119.732 120.400 0.080 0.000 2.284 52 K HA 0.218 4.539 4.320 0.001 0.000 0.198 52 K C 0.393 177.045 176.600 0.087 0.000 1.048 52 K CA 0.899 57.231 56.287 0.075 0.000 0.987 52 K CB -0.178 32.356 32.500 0.058 0.000 0.800 52 K HN 0.869 nan 8.250 nan 0.000 0.486 53 H N 0.468 119.526 119.070 -0.019 0.000 2.782 53 H HA 0.183 4.739 4.556 0.001 0.000 0.347 53 H C -0.126 175.176 175.328 -0.043 0.000 1.038 53 H CA -0.073 55.935 56.048 -0.067 0.000 1.255 53 H CB 1.677 31.343 29.762 -0.159 0.000 1.623 53 H HN -0.161 nan 8.280 nan 0.000 0.525 54 E N 2.304 122.524 120.200 0.033 0.000 2.209 54 E HA -0.231 4.120 4.350 0.001 0.000 0.196 54 E C 1.775 178.479 176.600 0.173 0.000 0.993 54 E CA 1.566 58.044 56.400 0.130 0.000 0.819 54 E CB 0.182 29.974 29.700 0.153 0.000 0.745 54 E HN 0.795 nan 8.360 nan 0.000 0.477 55 E N 0.431 120.810 120.200 0.298 0.000 2.150 55 E HA -0.154 4.196 4.350 0.001 0.000 0.193 55 E C 1.822 178.441 176.600 0.031 0.000 0.985 55 E CA 1.239 57.716 56.400 0.129 0.000 0.814 55 E CB -0.165 29.544 29.700 0.016 0.000 0.752 55 E HN 0.120 nan 8.360 nan 0.000 0.466 56 V N 1.399 121.331 119.914 0.029 0.000 2.515 56 V HA -0.117 4.004 4.120 0.001 0.000 0.250 56 V C 2.442 178.514 176.094 -0.037 0.000 1.058 56 V CA 1.779 64.068 62.300 -0.019 0.000 1.064 56 V CB -0.600 31.220 31.823 -0.006 0.000 0.675 56 V HN 0.561 nan 8.190 nan 0.000 0.461 57 G N -0.337 108.470 108.800 0.012 0.000 2.402 57 G HA2 -0.164 3.797 3.960 0.001 0.000 0.216 57 G HA3 -0.164 3.797 3.960 0.001 0.000 0.216 57 G C 1.771 176.610 174.900 -0.101 0.000 1.162 57 G CA 0.969 46.072 45.100 0.005 0.000 0.777 57 G HN 0.577 nan 8.290 nan 0.000 0.539 58 A N 0.729 123.521 122.820 -0.046 0.000 1.877 58 A HA 0.051 4.371 4.320 0.001 0.000 0.216 58 A C 2.464 179.967 177.584 -0.135 0.000 1.186 58 A CA 1.774 53.765 52.037 -0.077 0.000 0.620 58 A CB -0.377 18.602 19.000 -0.035 0.000 0.822 58 A HN 0.363 nan 8.150 nan 0.000 0.443 59 M N -0.574 118.961 119.600 -0.109 0.000 2.159 59 M HA -0.140 4.341 4.480 0.001 0.000 0.263 59 M C 2.498 178.689 176.300 -0.183 0.000 1.063 59 M CA 1.331 56.567 55.300 -0.107 0.000 1.110 59 M CB -0.407 32.158 32.600 -0.059 0.000 1.374 59 M HN 0.503 nan 8.290 nan 0.000 0.411 60 A N 0.402 123.040 122.820 -0.303 0.000 1.898 60 A HA -0.021 4.299 4.320 0.001 0.000 0.216 60 A C 2.368 179.521 177.584 -0.718 0.000 1.181 60 A CA 1.789 53.527 52.037 -0.499 0.000 0.620 60 A CB -0.854 17.737 19.000 -0.683 0.000 0.819 60 A HN 0.484 nan 8.150 nan 0.000 0.442 61 A N -0.609 121.734 122.820 -0.796 0.000 1.933 61 A HA 0.020 4.340 4.320 0.001 0.000 0.218 61 A C 2.217 179.681 177.584 -0.200 0.000 1.175 61 A CA 1.822 53.577 52.037 -0.470 0.000 0.628 61 A CB -0.764 18.117 19.000 -0.198 0.000 0.814 61 A HN 0.365 nan 8.150 nan 0.000 0.444 62 V N -0.260 119.547 119.914 -0.178 0.000 2.323 62 V HA -0.216 3.904 4.120 0.001 0.000 0.244 62 V C 2.612 178.654 176.094 -0.087 0.000 1.041 62 V CA 1.775 64.009 62.300 -0.111 0.000 1.025 62 V CB -0.602 31.159 31.823 -0.103 0.000 0.656 62 V HN 0.482 nan 8.190 nan 0.000 0.451 63 M N -0.246 119.301 119.600 -0.088 0.000 2.213 63 M HA -0.208 4.272 4.480 0.001 0.000 0.263 63 M C 2.207 178.556 176.300 0.081 0.000 1.062 63 M CA 1.544 56.817 55.300 -0.044 0.000 1.105 63 M CB -1.231 31.392 32.600 0.038 0.000 1.385 63 M HN 0.511 nan 8.290 nan 0.000 0.417 64 Q N -0.054 119.782 119.800 0.061 0.000 2.077 64 Q HA -0.170 4.171 4.340 0.001 0.000 0.206 64 Q C 2.015 178.091 176.000 0.127 0.000 0.989 64 Q CA 2.278 58.160 55.803 0.132 0.000 0.853 64 Q CB 0.108 28.897 28.738 0.085 0.000 0.907 64 Q HN 0.401 nan 8.270 nan 0.000 0.418 65 S N 0.147 115.878 115.700 0.052 0.000 2.387 65 S HA -0.069 4.401 4.470 0.001 0.000 0.226 65 S C 1.653 176.273 174.600 0.032 0.000 1.026 65 S CA 1.044 59.270 58.200 0.043 0.000 0.972 65 S CB -0.031 63.175 63.200 0.009 0.000 0.814 65 S HN 0.343 nan 8.310 nan 0.000 0.477 66 K N 0.274 120.649 120.400 -0.043 0.000 2.103 66 K HA -0.065 4.256 4.320 0.001 0.000 0.207 66 K C 0.880 177.403 176.600 -0.130 0.000 1.048 66 K CA 1.115 57.316 56.287 -0.143 0.000 0.930 66 K CB -0.268 32.043 32.500 -0.314 0.000 0.716 66 K HN 0.325 nan 8.250 nan 0.000 0.444 67 F N 0.208 120.225 119.950 0.111 0.000 2.731 67 F HA 0.144 4.672 4.527 0.001 0.000 0.304 67 F C 1.359 177.307 175.800 0.246 0.000 1.133 67 F CA 0.426 58.535 58.000 0.182 0.000 1.380 67 F CB 0.179 39.315 39.000 0.227 0.000 1.079 67 F HN 0.209 nan 8.300 nan 0.000 0.550 68 G N -0.078 108.895 108.800 0.287 0.000 2.141 68 G HA2 -0.193 3.768 3.960 0.001 0.000 0.242 68 G HA3 -0.193 3.768 3.960 0.001 0.000 0.242 68 G C 0.787 175.788 174.900 0.169 0.000 0.982 68 G CA -0.142 45.099 45.100 0.235 0.000 0.662 68 G HN 0.762 nan 8.290 nan 0.000 0.527 69 G N -0.637 108.241 108.800 0.129 0.000 2.535 69 G HA2 0.534 4.494 3.960 0.001 0.000 0.282 69 G HA3 0.534 4.494 3.960 0.001 0.000 0.282 69 G C 0.246 175.169 174.900 0.039 0.000 1.350 69 G CA -0.183 44.931 45.100 0.023 0.000 1.039 69 G HN 0.502 nan 8.290 nan 0.000 0.509 70 N N -1.405 117.309 118.700 0.024 0.000 2.347 70 N HA 0.215 4.955 4.740 0.001 0.000 0.253 70 N C -0.214 175.331 175.510 0.058 0.000 1.274 70 N CA -0.810 52.267 53.050 0.046 0.000 0.941 70 N CB 0.833 39.344 38.487 0.040 0.000 1.200 70 N HN 0.280 nan 8.380 nan 0.000 0.514 71 L N 1.069 122.332 121.223 0.066 0.000 2.513 71 L HA 0.167 4.507 4.340 0.001 0.000 0.272 71 L C 0.464 177.367 176.870 0.054 0.000 1.187 71 L CA 0.486 55.353 54.840 0.047 0.000 0.895 71 L CB -0.333 41.751 42.059 0.041 0.000 1.147 71 L HN 0.512 nan 8.230 nan 0.000 0.483 72 G N 4.560 113.387 108.800 0.046 0.000 2.425 72 G HA2 0.574 4.535 3.960 0.001 0.000 0.302 72 G HA3 0.574 4.535 3.960 0.001 0.000 0.302 72 G C -1.291 173.648 174.900 0.066 0.000 1.159 72 G CA -0.537 44.617 45.100 0.091 0.000 0.865 72 G HN 0.598 nan 8.290 nan 0.000 0.515 73 V N 0.173 120.163 119.914 0.128 0.000 2.588 73 V HA 0.686 4.807 4.120 0.001 0.000 0.304 73 V C 0.021 176.206 176.094 0.152 0.000 1.042 73 V CA -0.663 61.691 62.300 0.090 0.000 0.877 73 V CB 1.890 33.755 31.823 0.069 0.000 0.996 73 V HN 0.894 nan 8.190 nan 0.000 0.425 74 T N 3.736 118.344 114.554 0.090 0.000 2.876 74 T HA 0.759 5.110 4.350 0.001 0.000 0.289 74 T C -1.002 173.752 174.700 0.090 0.000 1.014 74 T CA -0.397 61.767 62.100 0.108 0.000 0.986 74 T CB 1.547 70.438 68.868 0.037 0.000 1.021 74 T HN 0.930 nan 8.240 nan 0.000 0.458 75 V N 1.469 121.461 119.914 0.129 0.000 2.769 75 V HA 1.059 5.179 4.120 0.001 0.000 0.312 75 V C 0.018 176.180 176.094 0.113 0.000 1.061 75 V CA -0.690 61.676 62.300 0.111 0.000 0.931 75 V CB 1.600 33.500 31.823 0.128 0.000 1.010 75 V HN 1.170 nan 8.190 nan 0.000 0.433 76 G N 1.070 109.922 108.800 0.088 0.000 2.732 76 G HA2 0.520 4.481 3.960 0.001 0.000 0.295 76 G HA3 0.520 4.481 3.960 0.001 0.000 0.295 76 G C -0.601 174.329 174.900 0.050 0.000 1.456 76 G CA -0.239 44.913 45.100 0.086 0.000 1.050 76 G HN 1.097 nan 8.290 nan 0.000 0.525 77 S N 0.917 116.636 115.700 0.032 0.000 2.573 77 S HA 0.444 4.915 4.470 0.001 0.000 0.277 77 S C 1.360 175.942 174.600 -0.030 0.000 1.346 77 S CA 0.343 58.541 58.200 -0.003 0.000 1.034 77 S CB 0.250 63.445 63.200 -0.008 0.000 0.879 77 S HN 1.359 nan 8.310 nan 0.000 0.528 78 G N 2.256 111.024 108.800 -0.053 0.000 2.178 78 G HA2 0.427 4.387 3.960 0.001 0.000 0.244 78 G HA3 0.427 4.387 3.960 0.001 0.000 0.244 78 G C 0.992 175.826 174.900 -0.111 0.000 1.213 78 G CA 0.177 45.228 45.100 -0.080 0.000 0.912 78 G HN 1.643 nan 8.290 nan 0.000 0.474 79 G N 3.950 112.688 108.800 -0.104 0.000 2.833 79 G HA2 -0.229 3.732 3.960 0.001 0.000 0.260 79 G HA3 -0.229 3.732 3.960 0.001 0.000 0.260 79 G C -0.440 174.386 174.900 -0.123 0.000 1.412 79 G CA 0.432 45.455 45.100 -0.130 0.000 0.986 79 G HN 0.767 nan 8.290 nan 0.000 0.556 80 P HA -0.024 nan 4.420 nan 0.000 0.218 80 P C 1.922 179.064 177.300 -0.263 0.000 1.148 80 P CA 2.726 65.677 63.100 -0.248 0.000 0.822 80 P CB -0.662 30.882 31.700 -0.260 0.000 0.784 81 G N 0.544 109.272 108.800 -0.120 0.000 2.404 81 G HA2 -0.157 3.803 3.960 0.001 0.000 0.215 81 G HA3 -0.157 3.803 3.960 0.001 0.000 0.215 81 G C 1.856 176.794 174.900 0.064 0.000 1.174 81 G CA 1.000 46.093 45.100 -0.012 0.000 0.780 81 G HN 0.353 nan 8.290 nan 0.000 0.537 82 A N 1.399 124.248 122.820 0.050 0.000 1.902 82 A HA -0.039 4.281 4.320 0.001 0.000 0.217 82 A C 2.735 180.452 177.584 0.221 0.000 1.181 82 A CA 2.629 54.746 52.037 0.133 0.000 0.623 82 A CB -0.780 18.275 19.000 0.091 0.000 0.818 82 A HN 0.726 nan 8.150 nan 0.000 0.443 83 S N -1.063 114.698 115.700 0.102 0.000 2.423 83 S HA -0.184 4.286 4.470 0.001 0.000 0.231 83 S C 1.614 176.367 174.600 0.255 0.000 1.014 83 S CA 1.251 59.527 58.200 0.126 0.000 0.965 83 S CB -0.938 62.256 63.200 -0.010 0.000 0.785 83 S HN 0.761 nan 8.310 nan 0.000 0.495 84 H N 0.853 120.002 119.070 0.132 0.000 2.521 84 H HA 0.198 4.754 4.556 0.001 0.000 0.286 84 H C 1.494 176.934 175.328 0.187 0.000 1.034 84 H CA 0.870 57.011 56.048 0.156 0.000 1.278 84 H CB -0.115 29.680 29.762 0.056 0.000 1.386 84 H HN 0.380 nan 8.280 nan 0.000 0.567 85 L N 0.030 121.431 121.223 0.296 0.000 2.395 85 L HA -0.082 4.259 4.340 0.001 0.000 0.218 85 L C 2.302 179.250 176.870 0.131 0.000 1.130 85 L CA 0.187 55.123 54.840 0.159 0.000 0.826 85 L CB -0.161 41.931 42.059 0.055 0.000 0.941 85 L HN 0.337 nan 8.230 nan 0.000 0.451 86 I N 1.097 121.850 120.570 0.306 0.000 2.113 86 I HA -0.431 3.739 4.170 0.001 0.000 0.242 86 I C 2.103 178.365 176.117 0.243 0.000 1.057 86 I CA 1.964 63.488 61.300 0.374 0.000 1.314 86 I CB 0.042 38.301 38.000 0.431 0.000 1.022 86 I HN 0.392 nan 8.210 nan 0.000 0.408 87 N N 0.758 119.581 118.700 0.204 0.000 2.166 87 N HA -0.114 4.627 4.740 0.001 0.000 0.186 87 N C 1.699 177.289 175.510 0.134 0.000 1.019 87 N CA 1.413 54.611 53.050 0.246 0.000 0.856 87 N CB -0.592 38.042 38.487 0.244 0.000 0.993 87 N HN 0.549 nan 8.380 nan 0.000 0.426 88 G N 0.324 109.158 108.800 0.057 0.000 2.403 88 G HA2 -0.108 3.853 3.960 0.001 0.000 0.216 88 G HA3 -0.108 3.853 3.960 0.001 0.000 0.216 88 G C 1.399 176.246 174.900 -0.087 0.000 1.154 88 G CA 0.299 45.391 45.100 -0.014 0.000 0.784 88 G HN 0.202 nan 8.290 nan 0.000 0.538 89 L N -1.246 119.898 121.223 -0.131 0.000 2.109 89 L HA 0.027 4.367 4.340 0.001 0.000 0.207 89 L C 2.603 179.307 176.870 -0.277 0.000 1.086 89 L CA 0.733 55.427 54.840 -0.243 0.000 0.760 89 L CB -0.462 41.329 42.059 -0.446 0.000 0.910 89 L HN 0.154 nan 8.230 nan 0.000 0.437 90 Y N 0.592 120.646 120.300 -0.410 0.000 2.224 90 Y HA -0.303 4.248 4.550 0.000 0.000 0.289 90 Y C 2.455 177.948 175.900 -0.678 0.000 1.146 90 Y CA 1.884 59.574 58.100 -0.684 0.000 1.182 90 Y CB -0.131 37.538 38.460 -1.318 0.000 0.983 90 Y HN 0.260 nan 8.280 nan 0.000 0.524 91 D N -0.462 119.721 120.400 -0.361 0.000 2.097 91 D HA -0.211 4.430 4.640 0.001 0.000 0.195 91 D C 2.205 178.458 176.300 -0.079 0.000 0.989 91 D CA 1.471 55.427 54.000 -0.073 0.000 0.827 91 D CB -0.239 40.607 40.800 0.077 0.000 0.966 91 D HN 0.259 nan 8.370 nan 0.000 0.456 92 A N 0.446 123.194 122.820 -0.120 0.000 1.902 92 A HA 0.034 4.354 4.320 0.001 0.000 0.217 92 A C 2.390 179.897 177.584 -0.127 0.000 1.181 92 A CA 2.243 54.212 52.037 -0.112 0.000 0.623 92 A CB -1.143 17.780 19.000 -0.129 0.000 0.818 92 A HN 0.344 nan 8.150 nan 0.000 0.443 93 A N -0.433 122.272 122.820 -0.193 0.000 1.877 93 A HA -0.146 4.175 4.320 0.001 0.000 0.216 93 A C 2.264 179.767 177.584 -0.135 0.000 1.186 93 A CA 1.893 53.808 52.037 -0.204 0.000 0.620 93 A CB -0.545 18.253 19.000 -0.337 0.000 0.822 93 A HN 0.530 nan 8.150 nan 0.000 0.443 94 M N -0.973 118.564 119.600 -0.105 0.000 2.319 94 M HA -0.085 4.395 4.480 0.001 0.000 0.265 94 M C 0.749 177.053 176.300 0.007 0.000 1.068 94 M CA 1.203 56.493 55.300 -0.017 0.000 1.118 94 M CB -0.355 32.286 32.600 0.068 0.000 1.395 94 M HN 0.226 nan 8.290 nan 0.000 0.435 95 D N 0.322 120.720 120.400 -0.003 0.000 2.339 95 D HA 0.058 4.698 4.640 0.001 0.000 0.217 95 D C -0.314 175.981 176.300 -0.008 0.000 1.050 95 D CA 0.250 54.256 54.000 0.010 0.000 0.856 95 D CB -0.196 40.611 40.800 0.011 0.000 0.922 95 D HN 0.329 nan 8.370 nan 0.000 0.518 96 N N 0.104 118.785 118.700 -0.030 0.000 2.756 96 N HA -0.148 4.593 4.740 0.001 0.000 0.248 96 N C -0.975 174.516 175.510 -0.032 0.000 1.062 96 N CA 0.010 53.040 53.050 -0.034 0.000 0.696 96 N CB -0.478 38.000 38.487 -0.015 0.000 0.946 96 N HN 0.159 nan 8.380 nan 0.000 0.548 97 I N 0.870 121.412 120.570 -0.047 0.000 2.354 97 I HA 0.350 4.520 4.170 0.001 0.000 0.292 97 I C -1.809 174.273 176.117 -0.059 0.000 0.989 97 I CA -2.375 58.898 61.300 -0.045 0.000 1.188 97 I CB 0.753 38.723 38.000 -0.051 0.000 1.342 97 I HN -0.083 nan 8.210 nan 0.000 0.457 98 P HA 0.199 nan 4.420 nan 0.000 0.271 98 P C -0.625 176.633 177.300 -0.070 0.000 1.216 98 P CA 0.032 63.093 63.100 -0.065 0.000 0.776 98 P CB 2.152 33.820 31.700 -0.052 0.000 0.881 99 V N 3.611 123.472 119.914 -0.089 0.000 3.036 99 V HA 0.198 4.318 4.120 0.001 0.000 0.288 99 V C -1.324 174.713 176.094 -0.096 0.000 1.407 99 V CA -0.688 61.561 62.300 -0.084 0.000 0.983 99 V CB 2.570 34.337 31.823 -0.092 0.000 1.128 99 V HN 0.206 nan 8.190 nan 0.000 0.439 100 V N 5.611 125.477 119.914 -0.079 0.000 2.370 100 V HA 0.860 4.981 4.120 0.001 0.000 0.283 100 V C 0.458 176.523 176.094 -0.049 0.000 1.023 100 V CA 0.169 62.423 62.300 -0.077 0.000 0.857 100 V CB 1.434 33.203 31.823 -0.089 0.000 0.985 100 V HN 1.210 nan 8.190 nan 0.000 0.443 101 A N 6.669 129.458 122.820 -0.052 0.000 2.287 101 A HA 0.833 5.153 4.320 0.001 0.000 0.317 101 A C -0.645 176.937 177.584 -0.003 0.000 1.220 101 A CA -0.464 51.548 52.037 -0.042 0.000 0.835 101 A CB 0.527 19.459 19.000 -0.113 0.000 1.180 101 A HN 0.783 nan 8.150 nan 0.000 0.500 102 I N 3.300 123.881 120.570 0.018 0.000 2.330 102 I HA 0.214 4.385 4.170 0.001 0.000 0.289 102 I C -1.073 175.067 176.117 0.039 0.000 1.001 102 I CA -0.702 60.614 61.300 0.028 0.000 1.193 102 I CB 1.523 39.537 38.000 0.024 0.000 1.345 102 I HN 0.394 nan 8.210 nan 0.000 0.461 103 L N 6.413 127.662 121.223 0.042 0.000 2.257 103 L HA 0.466 4.806 4.340 0.001 0.000 0.290 103 L C 0.841 177.714 176.870 0.005 0.000 1.044 103 L CA 0.009 54.876 54.840 0.044 0.000 0.810 103 L CB 0.927 43.027 42.059 0.068 0.000 1.193 103 L HN 0.567 nan 8.230 nan 0.000 0.425 104 G N 1.631 110.428 108.800 -0.005 0.000 2.606 104 G HA2 0.452 4.413 3.960 0.001 0.000 0.252 104 G HA3 0.452 4.413 3.960 0.001 0.000 0.252 104 G C -0.430 174.433 174.900 -0.061 0.000 1.206 104 G CA -0.071 45.007 45.100 -0.037 0.000 0.861 104 G HN 0.595 nan 8.290 nan 0.000 0.561 105 S N -0.905 114.739 115.700 -0.094 0.000 2.565 105 S HA 0.520 4.990 4.470 0.001 0.000 0.269 105 S C -0.346 174.176 174.600 -0.129 0.000 1.153 105 S CA -0.922 57.210 58.200 -0.113 0.000 0.835 105 S CB 1.190 64.313 63.200 -0.127 0.000 1.122 105 S HN 0.582 nan 8.310 nan 0.000 0.462 106 R N 1.537 121.967 120.500 -0.116 0.000 2.784 106 R HA 0.310 4.650 4.340 0.001 0.000 0.266 106 R C -2.484 173.735 176.300 -0.134 0.000 1.044 106 R CA -1.542 54.500 56.100 -0.097 0.000 1.151 106 R CB -1.053 29.204 30.300 -0.073 0.000 1.037 106 R HN 0.502 nan 8.270 nan 0.000 0.478 107 P HA -0.074 nan 4.420 nan 0.000 0.269 107 P C 0.626 177.843 177.300 -0.140 0.000 1.211 107 P CA 0.046 63.059 63.100 -0.147 0.000 0.781 107 P CB 0.389 32.048 31.700 -0.069 0.000 0.877 108 Q N 2.934 122.633 119.800 -0.168 0.000 2.096 108 Q HA -0.302 4.038 4.340 0.001 0.000 0.208 108 Q C 1.939 177.941 176.000 0.002 0.000 0.993 108 Q CA 2.068 57.836 55.803 -0.058 0.000 0.862 108 Q CB -0.205 28.604 28.738 0.118 0.000 0.915 108 Q HN 0.373 nan 8.270 nan 0.000 0.416 109 R N -0.344 120.165 120.500 0.014 0.000 2.200 109 R HA -0.142 4.198 4.340 0.001 0.000 0.234 109 R C 1.272 177.577 176.300 0.007 0.000 1.127 109 R CA 1.781 57.893 56.100 0.020 0.000 0.989 109 R CB -0.236 30.079 30.300 0.024 0.000 0.869 109 R HN 0.399 nan 8.270 nan 0.000 0.459 110 E N 0.988 121.183 120.200 -0.008 0.000 2.447 110 E HA 0.139 4.489 4.350 0.001 0.000 0.195 110 E C 0.100 176.690 176.600 -0.016 0.000 1.028 110 E CA -0.256 56.139 56.400 -0.008 0.000 0.876 110 E CB 0.177 29.871 29.700 -0.010 0.000 0.885 110 E HN 0.283 nan 8.360 nan 0.000 0.500 111 L N 2.228 123.437 121.223 -0.023 0.000 2.525 111 L HA -0.028 4.312 4.340 0.001 0.000 0.278 111 L C 0.510 177.374 176.870 -0.010 0.000 1.218 111 L CA -0.044 54.782 54.840 -0.024 0.000 0.878 111 L CB 0.047 42.093 42.059 -0.022 0.000 1.127 111 L HN 0.218 nan 8.230 nan 0.000 0.492 112 N N 1.724 120.415 118.700 -0.015 0.000 2.863 112 N HA -0.194 4.546 4.740 0.001 0.000 0.245 112 N C 0.542 176.049 175.510 -0.005 0.000 1.001 112 N CA 1.133 54.178 53.050 -0.009 0.000 0.901 112 N CB -0.536 37.950 38.487 -0.001 0.000 1.124 112 N HN 0.599 nan 8.380 nan 0.000 0.582 113 M N 0.094 119.691 119.600 -0.004 0.000 2.428 113 M HA 0.087 4.567 4.480 0.001 0.000 0.239 113 M C -0.083 176.219 176.300 0.003 0.000 1.121 113 M CA 0.367 55.668 55.300 0.002 0.000 1.019 113 M CB -0.421 32.182 32.600 0.006 0.000 1.485 113 M HN -0.029 nan 8.290 nan 0.000 0.484 114 D N 1.302 121.699 120.400 -0.004 0.000 2.699 114 D HA -0.125 4.515 4.640 0.001 0.000 0.239 114 D C 0.189 176.496 176.300 0.011 0.000 1.136 114 D CA 0.795 54.793 54.000 -0.003 0.000 0.668 114 D CB -0.857 39.943 40.800 0.000 0.000 1.060 114 D HN 0.433 nan 8.370 nan 0.000 0.429 115 A N -0.133 122.694 122.820 0.011 0.000 2.257 115 A HA 0.575 4.896 4.320 0.001 0.000 0.290 115 A C 0.203 177.826 177.584 0.066 0.000 1.201 115 A CA -0.534 51.532 52.037 0.047 0.000 0.863 115 A CB 0.348 19.373 19.000 0.042 0.000 1.256 115 A HN 0.167 nan 8.150 nan 0.000 0.506 116 F N 0.308 120.244 119.950 -0.022 0.000 2.578 116 F HA 0.247 4.775 4.527 0.001 0.000 0.381 116 F C 1.227 177.010 175.800 -0.029 0.000 1.069 116 F CA 1.106 59.092 58.000 -0.024 0.000 1.231 116 F CB 0.009 38.996 39.000 -0.022 0.000 1.086 116 F HN 0.811 nan 8.300 nan 0.000 0.564 117 Q N 2.307 121.562 119.800 -0.908 0.000 2.435 117 Q HA -0.287 4.053 4.340 0.001 0.000 0.286 117 Q C -0.760 175.020 176.000 -0.367 0.000 1.229 117 Q CA 1.125 56.471 55.803 -0.762 0.000 0.884 117 Q CB -0.813 27.257 28.738 -1.113 0.000 1.245 117 Q HN 0.750 nan 8.270 nan 0.000 0.488 118 E N 0.918 120.980 120.200 -0.230 0.000 2.158 118 E HA 0.638 4.989 4.350 0.001 0.000 0.271 118 E C -0.801 175.733 176.600 -0.109 0.000 0.911 118 E CA -0.580 55.738 56.400 -0.136 0.000 0.767 118 E CB 1.105 30.756 29.700 -0.081 0.000 1.120 118 E HN 0.396 nan 8.360 nan 0.000 0.405 119 L N 1.697 122.862 121.223 -0.097 0.000 2.869 119 L HA 0.544 4.885 4.340 0.001 0.000 0.265 119 L C -1.106 175.722 176.870 -0.070 0.000 1.011 119 L CA -1.252 53.540 54.840 -0.080 0.000 0.913 119 L CB 1.556 43.560 42.059 -0.091 0.000 1.490 119 L HN 0.262 nan 8.230 nan 0.000 0.410 120 N N 1.256 119.921 118.700 -0.059 0.000 2.405 120 N HA 0.221 4.962 4.740 0.001 0.000 0.260 120 N C -0.107 175.365 175.510 -0.063 0.000 1.152 120 N CA 0.126 53.144 53.050 -0.052 0.000 0.948 120 N CB 0.946 39.408 38.487 -0.041 0.000 1.111 120 N HN 0.789 nan 8.380 nan 0.000 0.485 121 Q N 1.964 121.727 119.800 -0.062 0.000 2.280 121 Q HA 0.086 4.427 4.340 0.001 0.000 0.201 121 Q C 1.010 176.971 176.000 -0.064 0.000 0.890 121 Q CA -0.192 55.567 55.803 -0.073 0.000 0.947 121 Q CB 0.171 28.874 28.738 -0.057 0.000 1.081 121 Q HN 0.648 nan 8.270 nan 0.000 0.502 122 N N 1.489 120.159 118.700 -0.049 0.000 2.188 122 N HA -0.085 4.656 4.740 0.001 0.000 0.184 122 N C -1.023 174.461 175.510 -0.044 0.000 1.018 122 N CA 0.876 53.904 53.050 -0.038 0.000 0.858 122 N CB -0.064 38.403 38.487 -0.034 0.000 0.989 122 N HN 0.156 nan 8.380 nan 0.000 0.426 123 P HA -0.048 nan 4.420 nan 0.000 0.221 123 P C 1.693 178.937 177.300 -0.093 0.000 1.150 123 P CA 0.690 63.757 63.100 -0.054 0.000 0.800 123 P CB -0.022 31.647 31.700 -0.052 0.000 0.787 124 M N -1.543 117.946 119.600 -0.185 0.000 2.113 124 M HA -0.252 4.228 4.480 0.001 0.000 0.255 124 M C 0.655 176.652 176.300 -0.506 0.000 1.073 124 M CA 2.177 57.227 55.300 -0.416 0.000 1.091 124 M CB -0.244 31.985 32.600 -0.618 0.000 1.309 124 M HN -0.042 nan 8.290 nan 0.000 0.407 125 Y N -1.643 118.675 120.300 0.029 0.000 2.641 125 Y HA 0.145 4.695 4.550 0.000 0.000 0.248 125 Y C 1.185 177.075 175.900 -0.016 0.000 1.170 125 Y CA -0.444 57.662 58.100 0.009 0.000 1.201 125 Y CB -0.386 38.064 38.460 -0.018 0.000 1.232 125 Y HN 0.300 nan 8.280 nan 0.000 0.537 126 D N -0.136 120.319 120.400 0.092 0.000 2.149 126 D HA -0.251 4.389 4.640 0.001 0.000 0.198 126 D C 2.101 178.437 176.300 0.059 0.000 0.990 126 D CA 1.713 55.746 54.000 0.055 0.000 0.839 126 D CB 0.135 40.954 40.800 0.032 0.000 0.948 126 D HN 0.427 nan 8.370 nan 0.000 0.460 127 H N -0.178 118.894 119.070 0.003 0.000 2.387 127 H HA -0.045 4.512 4.556 0.001 0.000 0.299 127 H C 1.901 177.187 175.328 -0.071 0.000 1.090 127 H CA 1.966 58.006 56.048 -0.014 0.000 1.332 127 H CB -0.147 29.630 29.762 0.025 0.000 1.386 127 H HN 0.437 nan 8.280 nan 0.000 0.516 128 I N -2.544 117.896 120.570 -0.217 0.000 3.941 128 I HA 0.450 4.620 4.170 0.001 0.000 0.321 128 I C 0.909 176.882 176.117 -0.240 0.000 1.284 128 I CA -0.091 60.988 61.300 -0.368 0.000 1.226 128 I CB 0.168 37.819 38.000 -0.582 0.000 1.045 128 I HN 0.199 nan 8.210 nan 0.000 0.420 129 A N 1.672 124.415 122.820 -0.128 0.000 2.340 129 A HA 0.468 4.789 4.320 0.001 0.000 0.268 129 A C 1.123 178.673 177.584 -0.057 0.000 1.100 129 A CA 0.081 52.070 52.037 -0.079 0.000 0.803 129 A CB 0.873 19.865 19.000 -0.014 0.000 1.043 129 A HN 0.375 nan 8.150 nan 0.000 0.488 130 V N -1.225 118.674 119.914 -0.025 0.000 3.506 130 V HA 0.321 4.442 4.120 0.001 0.000 0.263 130 V C 0.117 176.280 176.094 0.115 0.000 1.203 130 V CA 0.655 62.961 62.300 0.010 0.000 1.133 130 V CB -1.192 30.624 31.823 -0.012 0.000 0.802 130 V HN 0.766 nan 8.190 nan 0.000 0.459 131 Y N 1.152 121.412 120.300 -0.065 0.000 2.390 131 Y HA 0.647 5.197 4.550 0.001 0.000 0.324 131 Y C -1.184 174.692 175.900 -0.039 0.000 1.151 131 Y CA -1.267 56.802 58.100 -0.053 0.000 1.053 131 Y CB 1.796 40.215 38.460 -0.068 0.000 1.277 131 Y HN 0.220 nan 8.280 nan 0.000 0.432 132 N N 4.586 123.134 118.700 -0.254 0.000 2.664 132 N HA 0.423 5.164 4.740 0.001 0.000 0.268 132 N C -1.980 173.393 175.510 -0.228 0.000 1.222 132 N CA -0.479 52.482 53.050 -0.150 0.000 0.805 132 N CB 0.799 39.256 38.487 -0.050 0.000 1.399 132 N HN 0.694 nan 8.380 nan 0.000 0.547 133 R N 1.103 121.462 120.500 -0.235 0.000 2.795 133 R HA 0.493 4.834 4.340 0.001 0.000 0.275 133 R C -0.725 175.526 176.300 -0.082 0.000 0.981 133 R CA -0.977 55.006 56.100 -0.195 0.000 0.917 133 R CB 2.474 32.586 30.300 -0.314 0.000 1.202 133 R HN 0.315 nan 8.270 nan 0.000 0.469 134 R N 2.200 122.669 120.500 -0.052 0.000 2.229 134 R HA 0.236 4.577 4.340 0.001 0.000 0.332 134 R C -0.652 175.659 176.300 0.018 0.000 0.989 134 R CA -0.458 55.636 56.100 -0.009 0.000 0.842 134 R CB 0.991 31.288 30.300 -0.006 0.000 1.119 134 R HN 0.382 nan 8.270 nan 0.000 0.456 135 V N 4.844 124.793 119.914 0.058 0.000 2.584 135 V HA -0.073 4.047 4.120 0.001 0.000 0.303 135 V C 1.384 177.590 176.094 0.187 0.000 1.035 135 V CA 0.980 63.333 62.300 0.089 0.000 1.172 135 V CB 0.816 32.758 31.823 0.199 0.000 0.896 135 V HN 1.029 nan 8.190 nan 0.000 0.486 136 A N 5.102 127.933 122.820 0.019 0.000 2.081 136 A HA 0.308 4.629 4.320 0.001 0.000 0.214 136 A C 0.541 178.246 177.584 0.200 0.000 1.158 136 A CA 0.825 52.942 52.037 0.134 0.000 0.724 136 A CB 0.026 19.117 19.000 0.152 0.000 0.826 136 A HN 1.114 nan 8.150 nan 0.000 0.463 137 Y N -6.602 113.567 120.300 -0.218 0.000 2.604 137 Y HA 0.620 5.171 4.550 0.001 0.000 0.331 137 Y C 0.820 176.038 175.900 -1.137 0.000 1.158 137 Y CA -1.030 56.683 58.100 -0.645 0.000 1.056 137 Y CB 0.458 38.751 38.460 -0.279 0.000 1.330 137 Y HN 0.011 nan 8.280 nan 0.000 0.457 138 A N 1.089 123.074 122.820 -1.392 0.000 1.873 138 A HA -0.225 4.095 4.320 0.001 0.000 0.218 138 A C 1.571 178.954 177.584 -0.336 0.000 1.193 138 A CA 2.458 53.953 52.037 -0.904 0.000 0.629 138 A CB -0.818 17.949 19.000 -0.389 0.000 0.826 138 A HN 0.926 nan 8.150 nan 0.000 0.447 139 E N 0.047 120.203 120.200 -0.074 0.000 2.273 139 E HA -0.223 4.128 4.350 0.001 0.000 0.198 139 E C 1.965 178.560 176.600 -0.009 0.000 1.002 139 E CA 1.579 58.011 56.400 0.055 0.000 0.828 139 E CB -0.304 29.518 29.700 0.203 0.000 0.747 139 E HN 0.973 nan 8.360 nan 0.000 0.491 140 Q N -0.351 119.278 119.800 -0.285 0.000 2.319 140 Q HA 0.122 4.462 4.340 0.001 0.000 0.202 140 Q C 1.708 177.578 176.000 -0.216 0.000 0.896 140 Q CA -0.095 55.529 55.803 -0.299 0.000 0.942 140 Q CB -0.004 28.358 28.738 -0.626 0.000 1.083 140 Q HN 0.193 nan 8.270 nan 0.000 0.510 141 L N 1.973 123.081 121.223 -0.191 0.000 2.012 141 L HA -0.031 4.309 4.340 0.001 0.000 0.210 141 L C -0.847 175.987 176.870 -0.060 0.000 1.073 141 L CA 1.927 56.714 54.840 -0.088 0.000 0.748 141 L CB -1.043 40.998 42.059 -0.029 0.000 0.891 141 L HN 0.079 nan 8.230 nan 0.000 0.431 142 P HA -0.226 nan 4.420 nan 0.000 0.215 142 P C 1.524 178.808 177.300 -0.027 0.000 1.157 142 P CA 1.698 64.770 63.100 -0.047 0.000 0.868 142 P CB -0.132 31.555 31.700 -0.022 0.000 0.788 143 K N -0.020 120.359 120.400 -0.034 0.000 2.063 143 K HA -0.144 4.177 4.320 0.001 0.000 0.208 143 K C 1.935 178.505 176.600 -0.051 0.000 1.048 143 K CA 1.353 57.598 56.287 -0.070 0.000 0.928 143 K CB -0.590 31.885 32.500 -0.041 0.000 0.713 143 K HN 0.104 nan 8.250 nan 0.000 0.442 144 L N 0.425 121.632 121.223 -0.026 0.000 2.156 144 L HA -0.110 4.231 4.340 0.001 0.000 0.208 144 L C 2.335 179.200 176.870 -0.009 0.000 1.095 144 L CA 0.405 55.263 54.840 0.030 0.000 0.770 144 L CB -0.194 41.897 42.059 0.054 0.000 0.914 144 L HN 0.018 nan 8.230 nan 0.000 0.439 145 V N 0.157 120.049 119.914 -0.037 0.000 2.379 145 V HA -0.286 3.834 4.120 0.001 0.000 0.245 145 V C 2.166 178.177 176.094 -0.139 0.000 1.044 145 V CA 2.095 64.353 62.300 -0.069 0.000 1.036 145 V CB -0.364 31.431 31.823 -0.046 0.000 0.664 145 V HN 0.476 nan 8.190 nan 0.000 0.453 146 D N 0.201 120.552 120.400 -0.081 0.000 2.097 146 D HA -0.265 4.376 4.640 0.001 0.000 0.195 146 D C 2.173 178.338 176.300 -0.225 0.000 0.989 146 D CA 1.795 55.772 54.000 -0.038 0.000 0.827 146 D CB -0.093 40.744 40.800 0.061 0.000 0.966 146 D HN 0.531 nan 8.370 nan 0.000 0.456 147 E N -0.760 119.309 120.200 -0.218 0.000 2.150 147 E HA -0.129 4.222 4.350 0.001 0.000 0.193 147 E C 1.936 178.146 176.600 -0.651 0.000 0.985 147 E CA 0.845 57.035 56.400 -0.351 0.000 0.814 147 E CB -0.171 29.376 29.700 -0.255 0.000 0.752 147 E HN 0.363 nan 8.360 nan 0.000 0.466 148 A N 1.067 123.543 122.820 -0.574 0.000 1.902 148 A HA -0.106 4.215 4.320 0.001 0.000 0.217 148 A C 2.380 179.646 177.584 -0.529 0.000 1.181 148 A CA 1.717 53.417 52.037 -0.562 0.000 0.623 148 A CB -0.765 18.102 19.000 -0.222 0.000 0.818 148 A HN 0.408 nan 8.150 nan 0.000 0.443 149 A N -0.154 122.283 122.820 -0.639 0.000 1.873 149 A HA -0.139 4.182 4.320 0.001 0.000 0.215 149 A C 2.231 179.203 177.584 -1.020 0.000 1.186 149 A CA 1.787 53.301 52.037 -0.872 0.000 0.616 149 A CB -0.510 17.660 19.000 -1.382 0.000 0.823 149 A HN 0.571 nan 8.150 nan 0.000 0.442 150 R N -1.212 118.618 120.500 -1.118 0.000 2.091 150 R HA -0.141 4.200 4.340 0.001 0.000 0.238 150 R C 2.036 178.110 176.300 -0.376 0.000 1.136 150 R CA 2.006 57.690 56.100 -0.692 0.000 0.959 150 R CB -0.271 29.864 30.300 -0.275 0.000 0.856 150 R HN 0.396 nan 8.270 nan 0.000 0.437 151 M N 0.084 119.434 119.600 -0.417 0.000 2.156 151 M HA 0.004 4.485 4.480 0.001 0.000 0.264 151 M C 2.458 178.627 176.300 -0.218 0.000 1.067 151 M CA 1.593 56.713 55.300 -0.300 0.000 1.131 151 M CB -1.035 31.307 32.600 -0.431 0.000 1.368 151 M HN 0.346 nan 8.290 nan 0.000 0.416 152 A N 0.689 123.353 122.820 -0.260 0.000 1.917 152 A HA -0.175 4.146 4.320 0.001 0.000 0.219 152 A C 2.236 179.740 177.584 -0.134 0.000 1.182 152 A CA 1.673 53.603 52.037 -0.178 0.000 0.633 152 A CB -0.899 17.985 19.000 -0.194 0.000 0.819 152 A HN 0.463 nan 8.150 nan 0.000 0.448 153 I N -0.657 119.819 120.570 -0.155 0.000 2.233 153 I HA -0.196 3.974 4.170 0.001 0.000 0.243 153 I C 2.959 179.058 176.117 -0.030 0.000 1.093 153 I CA 0.992 62.251 61.300 -0.070 0.000 1.380 153 I CB -0.355 37.624 38.000 -0.035 0.000 1.067 153 I HN 0.338 nan 8.210 nan 0.000 0.413 154 A N 0.730 123.526 122.820 -0.040 0.000 1.930 154 A HA -0.159 4.161 4.320 0.001 0.000 0.217 154 A C 2.128 179.712 177.584 0.000 0.000 1.175 154 A CA 1.473 53.511 52.037 0.001 0.000 0.627 154 A CB -0.310 18.690 19.000 0.001 0.000 0.815 154 A HN 0.355 nan 8.150 nan 0.000 0.443 155 K N -1.177 119.206 120.400 -0.028 0.000 2.374 155 K HA 0.186 4.506 4.320 0.001 0.000 0.196 155 K C -0.403 176.181 176.600 -0.028 0.000 1.023 155 K CA -0.243 56.032 56.287 -0.021 0.000 1.103 155 K CB 0.314 32.798 32.500 -0.027 0.000 0.848 155 K HN 0.358 nan 8.250 nan 0.000 0.528 156 R N 0.601 121.083 120.500 -0.031 0.000 3.127 156 R HA -0.196 4.144 4.340 0.001 0.000 0.247 156 R C 0.066 176.336 176.300 -0.050 0.000 0.896 156 R CA 0.374 56.455 56.100 -0.031 0.000 0.624 156 R CB -1.871 28.421 30.300 -0.013 0.000 1.154 156 R HN 0.529 nan 8.270 nan 0.000 0.474 157 G N -1.227 107.533 108.800 -0.068 0.000 2.650 157 G HA2 0.462 4.423 3.960 0.001 0.000 0.310 157 G HA3 0.462 4.423 3.960 0.001 0.000 0.310 157 G C -0.983 173.857 174.900 -0.099 0.000 1.270 157 G CA -0.636 44.413 45.100 -0.086 0.000 0.810 157 G HN 0.075 nan 8.290 nan 0.000 0.493 158 V N 1.261 121.105 119.914 -0.116 0.000 2.408 158 V HA 0.557 4.677 4.120 0.001 0.000 0.267 158 V C 0.663 176.712 176.094 -0.075 0.000 1.047 158 V CA 0.005 62.230 62.300 -0.124 0.000 0.937 158 V CB 0.566 32.279 31.823 -0.184 0.000 0.999 158 V HN 1.104 nan 8.190 nan 0.000 0.472 159 A N 5.785 128.569 122.820 -0.061 0.000 2.271 159 A HA 0.774 5.094 4.320 0.001 0.000 0.317 159 A C -0.579 177.024 177.584 0.033 0.000 1.245 159 A CA -0.449 51.600 52.037 0.020 0.000 0.857 159 A CB 0.981 19.940 19.000 -0.068 0.000 1.175 159 A HN 0.641 nan 8.150 nan 0.000 0.512 160 V N 3.964 123.930 119.914 0.086 0.000 2.495 160 V HA 0.501 4.622 4.120 0.001 0.000 0.298 160 V C -0.297 175.844 176.094 0.079 0.000 1.031 160 V CA -0.359 61.976 62.300 0.059 0.000 0.871 160 V CB 1.389 33.251 31.823 0.065 0.000 0.988 160 V HN 0.773 nan 8.190 nan 0.000 0.432 161 L N 3.755 125.016 121.223 0.063 0.000 2.381 161 L HA 0.571 4.911 4.340 0.001 0.000 0.274 161 L C -0.210 176.681 176.870 0.035 0.000 0.988 161 L CA -0.379 54.492 54.840 0.052 0.000 0.824 161 L CB 2.322 44.419 42.059 0.064 0.000 1.263 161 L HN 0.688 nan 8.230 nan 0.000 0.410 162 E N 3.003 123.215 120.200 0.020 0.000 2.146 162 E HA 0.427 4.777 4.350 0.001 0.000 0.282 162 E C -1.464 175.132 176.600 -0.006 0.000 0.989 162 E CA -0.568 55.835 56.400 0.004 0.000 0.799 162 E CB 1.560 31.255 29.700 -0.008 0.000 1.088 162 E HN 0.317 nan 8.360 nan 0.000 0.397 163 V N 7.130 127.027 119.914 -0.029 0.000 2.326 163 V HA 0.280 4.401 4.120 0.001 0.000 0.281 163 V C -2.264 173.712 176.094 -0.197 0.000 1.015 163 V CA -2.061 60.208 62.300 -0.052 0.000 0.823 163 V CB 1.162 32.986 31.823 0.001 0.000 1.009 163 V HN 0.752 nan 8.190 nan 0.000 0.436 164 P HA 0.042 nan 4.420 nan 0.000 0.262 164 P C 1.244 178.241 177.300 -0.505 0.000 1.182 164 P CA 0.455 63.182 63.100 -0.621 0.000 0.761 164 P CB 0.802 31.781 31.700 -1.202 0.000 0.795 165 G N 3.062 111.693 108.800 -0.282 0.000 2.527 165 G HA2 -0.226 3.734 3.960 0.001 0.000 0.219 165 G HA3 -0.226 3.734 3.960 0.001 0.000 0.219 165 G C 0.878 175.711 174.900 -0.113 0.000 1.117 165 G CA 0.500 45.505 45.100 -0.159 0.000 0.759 165 G HN 0.565 nan 8.290 nan 0.000 0.556 166 D N -0.238 120.072 120.400 -0.150 0.000 2.346 166 D HA -0.014 4.627 4.640 0.001 0.000 0.206 166 D C 1.697 178.101 176.300 0.173 0.000 1.001 166 D CA -0.235 53.766 54.000 0.001 0.000 0.871 166 D CB -0.421 40.391 40.800 0.021 0.000 0.943 166 D HN 0.216 nan 8.370 nan 0.000 0.518 167 F N 2.547 122.494 119.950 -0.005 0.000 2.134 167 F HA 0.066 4.593 4.527 0.001 0.000 0.299 167 F C 2.789 178.578 175.800 -0.018 0.000 1.097 167 F CA 0.473 58.469 58.000 -0.006 0.000 1.264 167 F CB -1.284 37.707 39.000 -0.015 0.000 1.001 167 F HN 0.072 nan 8.300 nan 0.000 0.479 168 A N -0.243 122.677 122.820 0.168 0.000 2.178 168 A HA -0.171 4.149 4.320 0.001 0.000 0.218 168 A C 2.152 179.757 177.584 0.035 0.000 1.157 168 A CA 1.163 53.238 52.037 0.063 0.000 0.689 168 A CB -0.708 18.303 19.000 0.018 0.000 0.787 168 A HN 0.374 nan 8.150 nan 0.000 0.465 169 K N -0.440 119.993 120.400 0.055 0.000 2.296 169 K HA 0.112 4.432 4.320 0.001 0.000 0.200 169 K C 0.204 176.826 176.600 0.035 0.000 1.048 169 K CA 0.135 56.443 56.287 0.034 0.000 0.966 169 K CB -0.051 32.471 32.500 0.037 0.000 0.754 169 K HN 0.304 nan 8.250 nan 0.000 0.466 170 V N 2.463 122.408 119.914 0.053 0.000 2.843 170 V HA -0.031 4.090 4.120 0.001 0.000 0.305 170 V C 0.306 176.411 176.094 0.018 0.000 1.065 170 V CA -0.057 62.266 62.300 0.039 0.000 1.116 170 V CB 1.030 32.877 31.823 0.040 0.000 0.968 170 V HN 0.233 nan 8.190 nan 0.000 0.487 171 E N 3.874 124.087 120.200 0.020 0.000 2.191 171 E HA 0.719 5.069 4.350 0.001 0.000 0.274 171 E C -0.864 175.756 176.600 0.032 0.000 0.948 171 E CA -0.691 55.721 56.400 0.020 0.000 0.802 171 E CB 1.658 31.372 29.700 0.023 0.000 1.137 171 E HN 0.665 nan 8.360 nan 0.000 0.397 172 I N -0.757 119.841 120.570 0.047 0.000 3.174 172 I HA 0.538 4.708 4.170 0.001 0.000 0.313 172 I C -0.890 175.292 176.117 0.108 0.000 1.155 172 I CA -1.280 60.066 61.300 0.077 0.000 0.977 172 I CB 1.928 39.987 38.000 0.098 0.000 1.248 172 I HN 0.259 nan 8.210 nan 0.000 0.453 173 D N 2.324 122.794 120.400 0.116 0.000 2.389 173 D HA 0.087 4.727 4.640 0.001 0.000 0.247 173 D C 0.639 177.055 176.300 0.193 0.000 1.128 173 D CA 0.316 54.387 54.000 0.118 0.000 0.884 173 D CB 1.170 42.019 40.800 0.083 0.000 1.194 173 D HN 0.669 nan 8.370 nan 0.000 0.441 174 N N 1.359 120.173 118.700 0.190 0.000 2.348 174 N HA -0.178 4.562 4.740 0.001 0.000 0.185 174 N C 0.772 176.318 175.510 0.061 0.000 1.019 174 N CA 1.011 54.223 53.050 0.271 0.000 0.880 174 N CB 0.176 38.781 38.487 0.197 0.000 0.965 174 N HN 0.425 nan 8.380 nan 0.000 0.437 175 D N -1.370 119.045 120.400 0.026 0.000 2.328 175 D HA -0.045 4.596 4.640 0.001 0.000 0.226 175 D C 0.355 176.656 176.300 0.001 0.000 1.066 175 D CA 0.223 54.190 54.000 -0.056 0.000 0.861 175 D CB -0.033 40.748 40.800 -0.032 0.000 0.912 175 D HN 0.249 nan 8.370 nan 0.000 0.521 176 Q N 0.497 120.362 119.800 0.110 0.000 2.222 176 Q HA 0.129 4.470 4.340 0.001 0.000 0.206 176 Q C -0.143 176.027 176.000 0.283 0.000 0.877 176 Q CA -0.030 55.876 55.803 0.172 0.000 0.958 176 Q CB 0.513 29.355 28.738 0.172 0.000 1.075 176 Q HN 0.572 nan 8.270 nan 0.000 0.483 177 W N 0.212 121.577 121.300 0.108 0.000 3.137 177 W HA 0.558 5.219 4.660 0.001 0.000 0.324 177 W C -1.803 174.828 176.519 0.187 0.000 1.253 177 W CA -1.299 56.102 57.345 0.093 0.000 1.183 177 W CB 0.481 29.960 29.460 0.031 0.000 1.424 177 W HN -0.021 nan 8.180 nan 0.000 0.566 178 Y N -0.456 119.907 120.300 0.106 0.000 2.677 178 Y HA 0.633 5.183 4.550 0.001 0.000 0.334 178 Y C -1.587 174.426 175.900 0.189 0.000 1.196 178 Y CA -1.212 56.797 58.100 -0.152 0.000 1.059 178 Y CB 1.034 39.393 38.460 -0.168 0.000 1.315 178 Y HN 0.539 nan 8.280 nan 0.000 0.455 179 S N 0.581 116.437 115.700 0.261 0.000 2.472 179 S HA 0.489 4.960 4.470 0.001 0.000 0.303 179 S C 0.184 174.930 174.600 0.244 0.000 1.099 179 S CA -0.071 58.265 58.200 0.228 0.000 1.077 179 S CB 0.970 64.281 63.200 0.186 0.000 1.031 179 S HN 1.198 nan 8.310 nan 0.000 0.487 180 S N 3.469 119.316 115.700 0.243 0.000 2.572 180 S HA 0.295 4.766 4.470 0.001 0.000 0.228 180 S C 1.516 176.023 174.600 -0.155 0.000 0.963 180 S CA 0.098 58.427 58.200 0.216 0.000 0.939 180 S CB 0.077 63.498 63.200 0.368 0.000 0.804 180 S HN 0.857 nan 8.310 nan 0.000 0.480 181 A N 3.926 126.324 122.820 -0.702 0.000 1.972 181 A HA -0.178 4.143 4.320 0.001 0.000 0.219 181 A C 2.229 179.400 177.584 -0.688 0.000 1.169 181 A CA 1.560 52.669 52.037 -1.545 0.000 0.635 181 A CB -0.802 17.180 19.000 -1.696 0.000 0.810 181 A HN 0.794 nan 8.150 nan 0.000 0.446 182 N N 0.002 118.481 118.700 -0.367 0.000 2.381 182 N HA -0.075 4.666 4.740 0.001 0.000 0.182 182 N C 1.010 176.425 175.510 -0.158 0.000 1.025 182 N CA 1.613 54.534 53.050 -0.214 0.000 0.888 182 N CB -0.528 37.877 38.487 -0.137 0.000 0.965 182 N HN 0.280 nan 8.380 nan 0.000 0.438 183 S N 0.421 116.039 115.700 -0.136 0.000 2.605 183 S HA 0.151 4.621 4.470 0.001 0.000 0.217 183 S C 0.451 175.022 174.600 -0.049 0.000 0.958 183 S CA -0.683 57.478 58.200 -0.065 0.000 0.919 183 S CB -0.187 63.010 63.200 -0.006 0.000 0.780 183 S HN 0.301 nan 8.310 nan 0.000 0.507 184 L N 3.883 125.044 121.223 -0.104 0.000 2.534 184 L HA 0.203 4.543 4.340 0.001 0.000 0.271 184 L C -0.060 176.796 176.870 -0.023 0.000 1.178 184 L CA 0.786 55.618 54.840 -0.013 0.000 0.907 184 L CB 0.072 42.105 42.059 -0.043 0.000 1.164 184 L HN -0.017 nan 8.230 nan 0.000 0.482 185 R N 4.827 125.319 120.500 -0.014 0.000 2.725 185 R HA 0.583 4.924 4.340 0.001 0.000 0.277 185 R C -1.031 175.216 176.300 -0.088 0.000 0.987 185 R CA -0.905 55.151 56.100 -0.072 0.000 0.901 185 R CB 1.977 32.203 30.300 -0.123 0.000 1.207 185 R HN 0.619 nan 8.270 nan 0.000 0.463 186 K N 1.325 121.662 120.400 -0.106 0.000 2.426 186 K HA 0.405 4.726 4.320 0.001 0.000 0.251 186 K C -1.024 175.502 176.600 -0.122 0.000 0.941 186 K CA -0.751 55.492 56.287 -0.074 0.000 0.808 186 K CB 2.139 34.650 32.500 0.018 0.000 1.265 186 K HN 0.368 nan 8.250 nan 0.000 0.432 187 Y N 1.066 121.382 120.300 0.026 0.000 2.359 187 Y HA 0.193 4.744 4.550 0.001 0.000 0.330 187 Y C 0.821 176.734 175.900 0.020 0.000 1.143 187 Y CA -0.112 58.001 58.100 0.020 0.000 1.318 187 Y CB 0.951 39.422 38.460 0.017 0.000 1.234 187 Y HN 0.619 nan 8.280 nan 0.000 0.522 188 A N 5.275 128.199 122.820 0.173 0.000 2.296 188 A HA 0.452 4.773 4.320 0.001 0.000 0.264 188 A C -2.373 175.276 177.584 0.107 0.000 1.097 188 A CA -1.642 50.459 52.037 0.108 0.000 0.811 188 A CB -0.385 18.660 19.000 0.074 0.000 1.072 188 A HN 0.563 nan 8.150 nan 0.000 0.495 189 P HA 0.148 nan 4.420 nan 0.000 0.262 189 P C -0.906 176.413 177.300 0.031 0.000 1.182 189 P CA 0.706 63.833 63.100 0.046 0.000 0.761 189 P CB 0.153 31.872 31.700 0.031 0.000 0.795 190 I N 2.152 122.729 120.570 0.012 0.000 2.359 190 I HA 0.384 4.555 4.170 0.001 0.000 0.294 190 I C 0.698 176.803 176.117 -0.019 0.000 0.987 190 I CA -1.016 60.282 61.300 -0.004 0.000 1.225 190 I CB 1.483 39.465 38.000 -0.029 0.000 1.366 190 I HN 0.318 nan 8.210 nan 0.000 0.466 191 A N 8.912 131.722 122.820 -0.017 0.000 2.440 191 A HA 0.451 4.772 4.320 0.001 0.000 0.251 191 A C -2.067 175.501 177.584 -0.027 0.000 1.089 191 A CA -0.921 51.101 52.037 -0.024 0.000 0.779 191 A CB -0.464 18.526 19.000 -0.017 0.000 1.022 191 A HN 0.520 nan 8.150 nan 0.000 0.492 192 P HA 0.359 nan 4.420 nan 0.000 0.274 192 P C -0.305 176.980 177.300 -0.024 0.000 1.246 192 P CA -0.190 62.892 63.100 -0.030 0.000 0.795 192 P CB 0.817 32.496 31.700 -0.034 0.000 1.006 193 A N 1.174 123.980 122.820 -0.022 0.000 2.454 193 A HA 0.407 4.727 4.320 0.001 0.000 0.260 193 A C 1.647 179.221 177.584 -0.017 0.000 1.106 193 A CA 0.193 52.219 52.037 -0.018 0.000 0.780 193 A CB -0.281 18.709 19.000 -0.016 0.000 1.044 193 A HN 0.602 nan 8.150 nan 0.000 0.498 194 A N 1.591 124.402 122.820 -0.015 0.000 1.948 194 A HA -0.239 4.082 4.320 0.001 0.000 0.220 194 A C 2.028 179.604 177.584 -0.013 0.000 1.177 194 A CA 1.994 54.023 52.037 -0.014 0.000 0.636 194 A CB -0.586 18.407 19.000 -0.012 0.000 0.815 194 A HN 0.966 nan 8.150 nan 0.000 0.449 195 Q N -0.649 119.145 119.800 -0.011 0.000 2.124 195 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 195 Q C 1.110 177.104 176.000 -0.010 0.000 0.977 195 Q CA 1.843 57.641 55.803 -0.009 0.000 0.850 195 Q CB -0.152 28.582 28.738 -0.007 0.000 0.901 195 Q HN 0.649 nan 8.270 nan 0.000 0.429 196 D N 0.242 120.634 120.400 -0.012 0.000 2.162 196 D HA -0.097 4.544 4.640 0.001 0.000 0.203 196 D C 1.948 178.238 176.300 -0.017 0.000 0.967 196 D CA 0.585 54.576 54.000 -0.014 0.000 0.840 196 D CB 0.020 40.811 40.800 -0.015 0.000 0.972 196 D HN 0.280 nan 8.370 nan 0.000 0.482 197 I N 1.712 122.271 120.570 -0.019 0.000 2.226 197 I HA -0.202 3.968 4.170 0.001 0.000 0.245 197 I C 1.719 177.825 176.117 -0.018 0.000 1.100 197 I CA 1.239 62.526 61.300 -0.021 0.000 1.374 197 I CB -0.852 37.134 38.000 -0.023 0.000 1.057 197 I HN -0.080 nan 8.210 nan 0.000 0.413 198 D N 1.180 121.571 120.400 -0.015 0.000 2.123 198 D HA -0.131 4.509 4.640 0.001 0.000 0.196 198 D C 2.271 178.564 176.300 -0.011 0.000 0.992 198 D CA 1.599 55.591 54.000 -0.012 0.000 0.833 198 D CB -0.092 40.703 40.800 -0.010 0.000 0.954 198 D HN 0.310 nan 8.370 nan 0.000 0.455 199 A N 0.835 123.649 122.820 -0.010 0.000 1.933 199 A HA -0.016 4.304 4.320 0.001 0.000 0.218 199 A C 2.293 179.871 177.584 -0.011 0.000 1.175 199 A CA 2.105 54.138 52.037 -0.008 0.000 0.628 199 A CB -0.654 18.343 19.000 -0.005 0.000 0.814 199 A HN 0.236 nan 8.150 nan 0.000 0.444 200 A N -0.570 122.241 122.820 -0.016 0.000 1.898 200 A HA 0.022 4.343 4.320 0.001 0.000 0.216 200 A C 2.206 179.778 177.584 -0.020 0.000 1.181 200 A CA 1.681 53.704 52.037 -0.022 0.000 0.620 200 A CB -0.896 18.087 19.000 -0.028 0.000 0.819 200 A HN 0.372 nan 8.150 nan 0.000 0.442 201 V N 0.422 120.325 119.914 -0.017 0.000 2.343 201 V HA -0.228 3.892 4.120 0.001 0.000 0.247 201 V C 2.569 178.655 176.094 -0.014 0.000 1.051 201 V CA 2.137 64.428 62.300 -0.016 0.000 1.036 201 V CB -0.699 31.115 31.823 -0.015 0.000 0.654 201 V HN 0.527 nan 8.190 nan 0.000 0.451 202 E N 0.034 120.227 120.200 -0.012 0.000 2.051 202 E HA -0.166 4.184 4.350 0.001 0.000 0.192 202 E C 2.256 178.850 176.600 -0.010 0.000 0.991 202 E CA 1.182 57.577 56.400 -0.010 0.000 0.799 202 E CB -0.312 29.384 29.700 -0.007 0.000 0.748 202 E HN 0.510 nan 8.360 nan 0.000 0.449 203 L N 0.464 121.681 121.223 -0.011 0.000 2.046 203 L HA -0.164 4.176 4.340 0.001 0.000 0.208 203 L C 2.621 179.481 176.870 -0.017 0.000 1.077 203 L CA 0.793 55.626 54.840 -0.012 0.000 0.747 203 L CB -0.400 41.652 42.059 -0.012 0.000 0.896 203 L HN 0.108 nan 8.230 nan 0.000 0.432 204 L N -0.607 120.606 121.223 -0.016 0.000 2.093 204 L HA -0.204 4.137 4.340 0.001 0.000 0.208 204 L C 2.130 178.993 176.870 -0.012 0.000 1.085 204 L CA 1.459 56.291 54.840 -0.013 0.000 0.755 204 L CB -0.621 41.432 42.059 -0.010 0.000 0.904 204 L HN 0.359 nan 8.230 nan 0.000 0.435 205 N N 0.142 118.834 118.700 -0.013 0.000 2.120 205 N HA -0.175 4.566 4.740 0.001 0.000 0.188 205 N C 1.203 176.704 175.510 -0.014 0.000 1.024 205 N CA 1.337 54.379 53.050 -0.013 0.000 0.852 205 N CB -0.093 38.386 38.487 -0.013 0.000 1.003 205 N HN 0.452 nan 8.380 nan 0.000 0.424 206 N N -0.207 118.483 118.700 -0.015 0.000 2.398 206 N HA 0.011 4.751 4.740 0.001 0.000 0.188 206 N C -0.165 175.329 175.510 -0.026 0.000 1.122 206 N CA -0.280 52.759 53.050 -0.017 0.000 0.866 206 N CB 0.425 38.904 38.487 -0.014 0.000 0.970 206 N HN -0.021 nan 8.380 nan 0.000 0.462 207 S N 0.669 116.350 115.700 -0.032 0.000 2.565 207 S HA 0.153 4.623 4.470 0.001 0.000 0.276 207 S C 1.017 175.573 174.600 -0.073 0.000 1.326 207 S CA -0.343 57.823 58.200 -0.056 0.000 1.045 207 S CB 1.069 64.234 63.200 -0.058 0.000 0.918 207 S HN 0.109 nan 8.310 nan 0.000 0.505 208 K N 2.631 122.961 120.400 -0.118 0.000 2.323 208 K HA 0.186 4.506 4.320 0.001 0.000 0.197 208 K C 0.210 176.631 176.600 -0.297 0.000 1.043 208 K CA 0.469 56.676 56.287 -0.134 0.000 0.997 208 K CB 0.250 32.681 32.500 -0.114 0.000 0.807 208 K HN 0.483 nan 8.250 nan 0.000 0.497 209 R N 1.467 121.681 120.500 -0.477 0.000 2.644 209 R HA 0.195 4.535 4.340 0.001 0.000 0.271 209 R C -2.807 173.171 176.300 -0.537 0.000 1.687 209 R CA -1.328 54.099 56.100 -1.123 0.000 1.655 209 R CB 1.381 30.743 30.300 -1.564 0.000 1.285 209 R HN 0.020 nan 8.270 nan 0.000 0.643 210 P HA 0.202 nan 4.420 nan 0.000 0.282 210 P C -0.634 176.857 177.300 0.320 0.000 1.249 210 P CA -0.343 62.811 63.100 0.091 0.000 0.806 210 P CB 2.151 33.906 31.700 0.093 0.000 0.984 211 V N 4.078 124.126 119.914 0.222 0.000 2.808 211 V HA 0.445 4.565 4.120 0.001 0.000 0.308 211 V C -0.864 175.310 176.094 0.133 0.000 1.099 211 V CA -1.038 61.403 62.300 0.235 0.000 0.920 211 V CB 1.931 33.916 31.823 0.271 0.000 1.014 211 V HN 0.328 nan 8.190 nan 0.000 0.425 212 I N 6.576 127.201 120.570 0.091 0.000 2.321 212 I HA 0.364 4.535 4.170 0.001 0.000 0.291 212 I C -1.350 174.796 176.117 0.049 0.000 0.998 212 I CA -0.571 60.769 61.300 0.066 0.000 1.227 212 I CB 1.380 39.410 38.000 0.051 0.000 1.368 212 I HN 0.636 nan 8.210 nan 0.000 0.466 213 Y N 6.547 126.850 120.300 0.006 0.000 2.587 213 Y HA 0.635 5.185 4.550 0.001 0.000 0.328 213 Y C -0.017 175.858 175.900 -0.041 0.000 0.980 213 Y CA -1.080 57.033 58.100 0.022 0.000 1.272 213 Y CB 1.117 39.719 38.460 0.237 0.000 1.094 213 Y HN 0.579 nan 8.280 nan 0.000 0.503 214 A N 3.819 126.726 122.820 0.145 0.000 2.276 214 A HA 0.771 5.092 4.320 0.001 0.000 0.316 214 A C 0.358 177.989 177.584 0.078 0.000 1.229 214 A CA 0.066 52.167 52.037 0.107 0.000 0.851 214 A CB 0.290 19.424 19.000 0.222 0.000 1.165 214 A HN 0.858 nan 8.150 nan 0.000 0.513 215 G N 0.491 109.281 108.800 -0.016 0.000 2.613 215 G HA2 0.465 4.425 3.960 0.001 0.000 0.303 215 G HA3 0.465 4.425 3.960 0.001 0.000 0.303 215 G C 0.883 175.772 174.900 -0.018 0.000 1.312 215 G CA -0.223 44.870 45.100 -0.012 0.000 1.036 215 G HN 1.210 nan 8.290 nan 0.000 0.513 216 I N -1.825 118.748 120.570 0.005 0.000 3.010 216 I HA 0.059 4.229 4.170 0.001 0.000 0.271 216 I C 1.909 178.022 176.117 -0.006 0.000 1.293 216 I CA 1.046 62.347 61.300 0.001 0.000 1.452 216 I CB -0.214 37.808 38.000 0.036 0.000 1.082 216 I HN 0.382 nan 8.210 nan 0.000 0.484 217 G N 1.507 110.299 108.800 -0.014 0.000 2.509 217 G HA2 -0.191 3.769 3.960 0.001 0.000 0.218 217 G HA3 -0.191 3.769 3.960 0.001 0.000 0.218 217 G C 1.532 176.454 174.900 0.037 0.000 1.124 217 G CA 1.062 46.162 45.100 0.000 0.000 0.776 217 G HN 0.589 nan 8.290 nan 0.000 0.547 218 T N -1.805 112.757 114.554 0.015 0.000 3.107 218 T HA 0.349 4.699 4.350 0.001 0.000 0.249 218 T C 1.178 175.863 174.700 -0.024 0.000 1.096 218 T CA -0.361 61.773 62.100 0.057 0.000 1.012 218 T CB -0.072 68.791 68.868 -0.008 0.000 0.977 218 T HN -0.050 nan 8.240 nan 0.000 0.527 219 M N 2.115 121.667 119.600 -0.079 0.000 2.261 219 M HA 0.219 4.700 4.480 0.001 0.000 0.350 219 M C 1.769 177.857 176.300 -0.353 0.000 1.343 219 M CA 1.653 56.853 55.300 -0.168 0.000 1.003 219 M CB -0.476 32.072 32.600 -0.086 0.000 1.848 219 M HN 0.711 nan 8.290 nan 0.000 0.456 220 G N 3.460 112.024 108.800 -0.394 0.000 2.199 220 G HA2 -0.269 3.691 3.960 0.001 0.000 0.254 220 G HA3 -0.269 3.691 3.960 0.001 0.000 0.254 220 G C 0.245 174.719 174.900 -0.711 0.000 0.982 220 G CA 0.410 45.185 45.100 -0.543 0.000 0.632 220 G HN 0.858 nan 8.290 nan 0.000 0.529 221 H N -0.586 118.413 119.070 -0.119 0.000 2.575 221 H HA 0.445 5.002 4.556 0.001 0.000 0.256 221 H C 2.069 177.301 175.328 -0.160 0.000 1.162 221 H CA 0.279 56.260 56.048 -0.110 0.000 0.969 221 H CB 0.519 30.233 29.762 -0.081 0.000 1.796 221 H HN 0.307 nan 8.280 nan 0.000 0.607 222 G N 2.103 110.775 108.800 -0.213 0.000 2.446 222 G HA2 -0.194 3.766 3.960 0.001 0.000 0.217 222 G HA3 -0.194 3.766 3.960 0.001 0.000 0.217 222 G C -0.722 174.086 174.900 -0.154 0.000 1.168 222 G CA 0.537 45.440 45.100 -0.328 0.000 0.771 222 G HN 0.286 nan 8.290 nan 0.000 0.551 223 P HA -0.075 nan 4.420 nan 0.000 0.216 223 P C 2.232 179.503 177.300 -0.047 0.000 1.153 223 P CA 2.086 65.141 63.100 -0.076 0.000 0.858 223 P CB -0.136 31.537 31.700 -0.045 0.000 0.789 224 A N -0.822 121.990 122.820 -0.012 0.000 1.898 224 A HA -0.141 4.180 4.320 0.001 0.000 0.216 224 A C 2.304 179.892 177.584 0.007 0.000 1.181 224 A CA 1.667 53.706 52.037 0.003 0.000 0.620 224 A CB -1.665 17.346 19.000 0.020 0.000 0.819 224 A HN 0.023 nan 8.150 nan 0.000 0.442 225 V N 0.063 119.991 119.914 0.023 0.000 2.343 225 V HA -0.309 3.812 4.120 0.001 0.000 0.247 225 V C 2.593 178.712 176.094 0.043 0.000 1.051 225 V CA 2.204 64.547 62.300 0.072 0.000 1.036 225 V CB -0.916 31.017 31.823 0.184 0.000 0.654 225 V HN 0.638 nan 8.190 nan 0.000 0.451 226 Q N -0.400 119.358 119.800 -0.069 0.000 2.167 226 Q HA -0.240 4.101 4.340 0.001 0.000 0.202 226 Q C 2.318 178.310 176.000 -0.013 0.000 0.970 226 Q CA 1.643 57.276 55.803 -0.283 0.000 0.855 226 Q CB -0.123 28.200 28.738 -0.692 0.000 0.911 226 Q HN 0.736 nan 8.270 nan 0.000 0.438 227 E N 0.645 120.841 120.200 -0.006 0.000 2.106 227 E HA -0.194 4.157 4.350 0.001 0.000 0.192 227 E C 1.935 178.553 176.600 0.030 0.000 0.984 227 E CA 0.523 56.938 56.400 0.025 0.000 0.806 227 E CB 0.074 29.778 29.700 0.005 0.000 0.750 227 E HN 0.200 nan 8.360 nan 0.000 0.458 228 L N 0.828 122.069 121.223 0.030 0.000 2.056 228 L HA -0.046 4.295 4.340 0.001 0.000 0.207 228 L C 2.243 179.140 176.870 0.045 0.000 1.078 228 L CA 2.101 56.956 54.840 0.025 0.000 0.749 228 L CB -0.713 41.361 42.059 0.026 0.000 0.901 228 L HN 0.154 nan 8.230 nan 0.000 0.433 229 A N -0.176 122.714 122.820 0.117 0.000 1.883 229 A HA -0.246 4.075 4.320 0.001 0.000 0.217 229 A C 2.437 180.066 177.584 0.074 0.000 1.186 229 A CA 2.043 54.208 52.037 0.214 0.000 0.624 229 A CB -0.577 18.682 19.000 0.431 0.000 0.822 229 A HN 0.527 nan 8.150 nan 0.000 0.444 230 R N -0.718 119.831 120.500 0.082 0.000 2.092 230 R HA -0.090 4.250 4.340 0.001 0.000 0.231 230 R C 2.388 178.523 176.300 -0.275 0.000 1.119 230 R CA 1.496 57.500 56.100 -0.159 0.000 0.970 230 R CB -0.270 30.064 30.300 0.057 0.000 0.864 230 R HN 0.618 nan 8.270 nan 0.000 0.440 231 K N 1.499 121.821 120.400 -0.130 0.000 2.026 231 K HA -0.129 4.191 4.320 0.001 0.000 0.208 231 K C 1.844 178.353 176.600 -0.151 0.000 1.048 231 K CA 1.634 57.849 56.287 -0.121 0.000 0.929 231 K CB -0.014 32.450 32.500 -0.060 0.000 0.713 231 K HN 0.301 nan 8.250 nan 0.000 0.439 232 I N -2.779 117.714 120.570 -0.129 0.000 3.928 232 I HA 0.157 4.327 4.170 0.001 0.000 0.335 232 I C -0.696 175.341 176.117 -0.133 0.000 1.325 232 I CA -0.403 60.838 61.300 -0.098 0.000 1.107 232 I CB 0.461 38.445 38.000 -0.026 0.000 1.014 232 I HN -0.040 nan 8.210 nan 0.000 0.400 233 K N 1.549 121.732 120.400 -0.361 0.000 3.244 233 K HA -0.152 4.169 4.320 0.001 0.000 0.270 233 K C -0.107 176.600 176.600 0.179 0.000 1.016 233 K CA 0.954 56.884 56.287 -0.595 0.000 0.754 233 K CB -1.949 30.251 32.500 -0.499 0.000 1.326 233 K HN 0.678 nan 8.250 nan 0.000 0.465 234 A N 0.746 123.730 122.820 0.274 0.000 2.287 234 A HA 0.627 4.947 4.320 0.001 0.000 0.317 234 A C -2.308 175.536 177.584 0.433 0.000 1.220 234 A CA -1.582 50.698 52.037 0.406 0.000 0.835 234 A CB 1.146 20.293 19.000 0.244 0.000 1.180 234 A HN -0.073 nan 8.150 nan 0.000 0.500 235 P HA 0.262 nan 4.420 nan 0.000 0.270 235 P C -0.578 176.698 177.300 -0.040 0.000 1.223 235 P CA -0.110 62.972 63.100 -0.029 0.000 0.785 235 P CB 0.739 32.261 31.700 -0.297 0.000 0.923 236 V N 3.214 123.023 119.914 -0.176 0.000 2.459 236 V HA 0.399 4.520 4.120 0.001 0.000 0.295 236 V C 0.277 176.075 176.094 -0.493 0.000 1.029 236 V CA -0.376 61.748 62.300 -0.294 0.000 0.874 236 V CB 1.211 32.788 31.823 -0.408 0.000 0.985 236 V HN 0.362 nan 8.190 nan 0.000 0.438 237 I N 3.370 123.624 120.570 -0.526 0.000 2.474 237 I HA 0.522 4.693 4.170 0.001 0.000 0.294 237 I C 0.172 175.842 176.117 -0.744 0.000 1.005 237 I CA -0.126 60.727 61.300 -0.745 0.000 1.113 237 I CB 2.313 39.729 38.000 -0.973 0.000 1.289 237 I HN 0.647 nan 8.210 nan 0.000 0.436 238 T N 2.903 116.984 114.554 -0.788 0.000 2.905 238 T HA 0.610 4.960 4.350 0.001 0.000 0.283 238 T C -0.231 174.194 174.700 -0.459 0.000 1.031 238 T CA -0.345 61.422 62.100 -0.556 0.000 1.002 238 T CB 1.644 70.106 68.868 -0.676 0.000 1.200 238 T HN 0.749 nan 8.240 nan 0.000 0.560 239 T N -1.214 113.219 114.554 -0.202 0.000 2.948 239 T HA 0.543 4.894 4.350 0.001 0.000 0.285 239 T C 1.554 176.303 174.700 0.081 0.000 1.019 239 T CA -0.125 62.002 62.100 0.046 0.000 1.013 239 T CB 0.947 69.948 68.868 0.221 0.000 1.117 239 T HN 0.684 nan 8.240 nan 0.000 0.533 240 G N -0.161 108.812 108.800 0.287 0.000 2.498 240 G HA2 -0.106 3.855 3.960 0.001 0.000 0.219 240 G HA3 -0.106 3.855 3.960 0.001 0.000 0.219 240 G C 1.204 176.205 174.900 0.168 0.000 1.119 240 G CA 0.263 45.543 45.100 0.299 0.000 0.766 240 G HN 0.758 nan 8.290 nan 0.000 0.552 241 K N -0.706 119.823 120.400 0.214 0.000 2.352 241 K HA 0.098 4.419 4.320 0.001 0.000 0.194 241 K C 1.186 177.877 176.600 0.151 0.000 1.038 241 K CA 0.055 56.487 56.287 0.241 0.000 1.023 241 K CB 0.311 32.958 32.500 0.246 0.000 0.840 241 K HN 0.130 nan 8.250 nan 0.000 0.519 242 N N -0.002 118.734 118.700 0.061 0.000 2.275 242 N HA 0.143 4.884 4.740 0.001 0.000 0.236 242 N C 0.333 175.806 175.510 -0.062 0.000 1.154 242 N CA -0.109 52.936 53.050 -0.009 0.000 0.866 242 N CB 0.088 38.556 38.487 -0.031 0.000 1.093 242 N HN -0.057 nan 8.380 nan 0.000 0.515 243 F N 1.205 121.084 119.950 -0.119 0.000 2.216 243 F HA -0.114 4.413 4.527 0.000 0.000 0.300 243 F C 2.291 178.099 175.800 0.014 0.000 1.085 243 F CA 1.194 59.156 58.000 -0.064 0.000 1.326 243 F CB 0.045 38.909 39.000 -0.228 0.000 1.027 243 F HN 0.355 nan 8.300 nan 0.000 0.497 244 E N -0.827 119.470 120.200 0.161 0.000 2.333 244 E HA -0.173 4.178 4.350 0.001 0.000 0.198 244 E C 1.605 178.205 176.600 -0.001 0.000 1.007 244 E CA 1.597 58.083 56.400 0.142 0.000 0.845 244 E CB -0.798 29.014 29.700 0.187 0.000 0.766 244 E HN 0.259 nan 8.360 nan 0.000 0.507 245 T N 0.265 114.706 114.554 -0.188 0.000 2.962 245 T HA -0.012 4.338 4.350 0.001 0.000 0.270 245 T C -0.103 174.180 174.700 -0.696 0.000 1.088 245 T CA 0.792 62.590 62.100 -0.504 0.000 1.127 245 T CB -0.172 68.234 68.868 -0.771 0.000 0.883 245 T HN 0.088 nan 8.240 nan 0.000 0.493 246 F N 0.980 120.902 119.950 -0.046 0.000 2.507 246 F HA 0.428 4.955 4.527 0.001 0.000 0.327 246 F C 0.380 176.199 175.800 0.033 0.000 1.068 246 F CA -1.723 56.232 58.000 -0.074 0.000 0.965 246 F CB 0.864 39.795 39.000 -0.115 0.000 1.192 246 F HN -0.261 nan 8.300 nan 0.000 0.476 247 E N 2.966 123.279 120.200 0.189 0.000 2.324 247 E HA -0.069 4.281 4.350 0.001 0.000 0.271 247 E C 1.003 177.708 176.600 0.176 0.000 1.028 247 E CA -0.114 56.370 56.400 0.140 0.000 0.890 247 E CB 0.484 30.196 29.700 0.020 0.000 1.004 247 E HN 0.833 nan 8.360 nan 0.000 0.431 248 W N 5.147 126.570 121.300 0.206 0.000 2.313 248 W HA -0.204 4.456 4.660 0.000 0.000 0.293 248 W C 0.343 176.978 176.519 0.194 0.000 1.216 248 W CA 1.411 58.895 57.345 0.232 0.000 1.223 248 W CB -0.448 29.117 29.460 0.176 0.000 1.138 248 W HN 0.361 nan 8.180 nan 0.000 0.535 249 D N -0.385 119.441 120.400 -0.957 0.000 2.342 249 D HA -0.019 4.621 4.640 0.001 0.000 0.221 249 D C 0.291 176.397 176.300 -0.323 0.000 1.101 249 D CA -0.751 52.705 54.000 -0.906 0.000 0.837 249 D CB -1.387 38.446 40.800 -1.611 0.000 0.938 249 D HN -0.048 nan 8.370 nan 0.000 0.508 250 F N 3.264 123.060 119.950 -0.258 0.000 2.612 250 F HA -0.002 4.525 4.527 0.000 0.000 0.389 250 F C 1.706 177.407 175.800 -0.164 0.000 1.055 250 F CA -0.863 57.041 58.000 -0.159 0.000 1.232 250 F CB 0.752 39.698 39.000 -0.090 0.000 1.044 250 F HN 0.044 nan 8.300 nan 0.000 0.560 251 E N 4.131 123.950 120.200 -0.635 0.000 2.147 251 E HA -0.220 4.131 4.350 0.001 0.000 0.199 251 E C 1.176 177.246 176.600 -0.883 0.000 1.005 251 E CA 1.465 57.474 56.400 -0.652 0.000 0.810 251 E CB -0.360 29.045 29.700 -0.491 0.000 0.736 251 E HN 0.592 nan 8.360 nan 0.000 0.460 252 A N 0.956 122.904 122.820 -1.453 0.000 2.500 252 A HA 0.270 4.590 4.320 0.001 0.000 0.267 252 A C 0.403 177.596 177.584 -0.651 0.000 1.290 252 A CA -0.537 50.839 52.037 -1.102 0.000 0.928 252 A CB 0.102 18.453 19.000 -1.081 0.000 1.066 252 A HN 0.233 nan 8.150 nan 0.000 0.516 253 L N 1.538 122.486 121.223 -0.457 0.000 2.315 253 L HA 0.333 4.673 4.340 0.001 0.000 0.283 253 L C 1.394 178.037 176.870 -0.378 0.000 1.089 253 L CA 1.047 55.695 54.840 -0.320 0.000 0.833 253 L CB 0.730 42.708 42.059 -0.136 0.000 1.170 253 L HN 0.298 nan 8.230 nan 0.000 0.442 254 T N 1.261 115.500 114.554 -0.524 0.000 3.081 254 T HA 0.548 4.899 4.350 0.001 0.000 0.250 254 T C 0.944 175.219 174.700 -0.709 0.000 1.100 254 T CA 0.234 62.048 62.100 -0.475 0.000 1.038 254 T CB -0.325 68.252 68.868 -0.486 0.000 0.962 254 T HN 1.231 nan 8.240 nan 0.000 0.516 255 G N 1.543 109.595 108.800 -1.248 0.000 2.482 255 G HA2 0.039 3.999 3.960 0.001 0.000 0.214 255 G HA3 0.039 3.999 3.960 0.001 0.000 0.214 255 G C -0.288 174.012 174.900 -1.000 0.000 1.271 255 G CA -0.321 43.717 45.100 -1.770 0.000 0.944 255 G HN 1.358 nan 8.290 nan 0.000 0.568 256 S N -1.113 114.224 115.700 -0.606 0.000 2.648 256 S HA 0.863 5.334 4.470 0.001 0.000 0.305 256 S C 0.264 174.730 174.600 -0.224 0.000 1.094 256 S CA 0.607 58.585 58.200 -0.370 0.000 0.983 256 S CB 1.762 64.934 63.200 -0.046 0.000 1.101 256 S HN 2.195 nan 8.310 nan 0.000 0.514 257 T N -1.169 113.277 114.554 -0.180 0.000 2.881 257 T HA 0.589 4.939 4.350 0.001 0.000 0.278 257 T C -0.176 174.647 174.700 0.204 0.000 0.982 257 T CA -0.149 61.932 62.100 -0.031 0.000 0.989 257 T CB 0.081 68.924 68.868 -0.041 0.000 1.058 257 T HN 1.288 nan 8.240 nan 0.000 0.529 258 Y N 0.508 120.813 120.300 0.008 0.000 2.926 258 Y HA -0.328 4.222 4.550 0.000 0.000 0.463 258 Y C 1.709 177.570 175.900 -0.064 0.000 1.225 258 Y CA 0.583 58.647 58.100 -0.061 0.000 2.393 258 Y CB -0.873 37.453 38.460 -0.224 0.000 1.300 258 Y HN 0.916 nan 8.280 nan 0.000 0.633 259 R N -0.160 119.802 120.500 -0.897 0.000 2.097 259 R HA -0.069 4.271 4.340 0.001 0.000 0.236 259 R C 0.605 176.825 176.300 -0.133 0.000 1.135 259 R CA 2.020 57.801 56.100 -0.532 0.000 0.934 259 R CB -0.744 29.186 30.300 -0.617 0.000 0.846 259 R HN 0.280 nan 8.270 nan 0.000 0.431 260 V N 1.467 121.372 119.914 -0.015 0.000 2.153 260 V HA 0.284 4.404 4.120 0.001 0.000 0.250 260 V C 0.470 176.653 176.094 0.148 0.000 1.334 260 V CA 0.243 62.605 62.300 0.103 0.000 1.249 260 V CB 0.119 32.045 31.823 0.171 0.000 1.371 260 V HN 0.532 nan 8.190 nan 0.000 0.498 261 G N 1.709 110.592 108.800 0.139 0.000 2.706 261 G HA2 0.588 4.549 3.960 0.001 0.000 0.307 261 G HA3 0.588 4.549 3.960 0.001 0.000 0.307 261 G C -2.112 172.963 174.900 0.291 0.000 1.307 261 G CA -0.619 44.589 45.100 0.180 0.000 0.790 261 G HN 0.232 nan 8.290 nan 0.000 0.503 262 W N -0.089 121.043 121.300 -0.279 0.000 2.736 262 W HA 0.640 5.301 4.660 0.000 0.000 0.355 262 W C 1.303 177.283 176.519 -0.898 0.000 1.102 262 W CA -1.256 55.637 57.345 -0.754 0.000 1.164 262 W CB 1.978 30.953 29.460 -0.809 0.000 1.422 262 W HN 0.700 nan 8.180 nan 0.000 0.572 263 K N 0.862 120.521 120.400 -1.234 0.000 2.002 263 K HA -0.127 4.193 4.320 0.001 0.000 0.209 263 K C -0.928 175.410 176.600 -0.437 0.000 1.048 263 K CA 1.931 57.831 56.287 -0.645 0.000 0.930 263 K CB -1.141 31.077 32.500 -0.470 0.000 0.714 263 K HN 0.066 nan 8.250 nan 0.000 0.438 264 P HA -0.203 nan 4.420 nan 0.000 0.215 264 P C 1.067 178.112 177.300 -0.426 0.000 1.163 264 P CA 2.288 65.140 63.100 -0.415 0.000 0.894 264 P CB -0.131 31.369 31.700 -0.333 0.000 0.791 265 A N -0.727 121.857 122.820 -0.393 0.000 1.908 265 A HA -0.275 4.045 4.320 0.001 0.000 0.218 265 A C 2.079 179.500 177.584 -0.271 0.000 1.181 265 A CA 2.417 54.223 52.037 -0.384 0.000 0.627 265 A CB -1.887 16.842 19.000 -0.452 0.000 0.818 265 A HN 0.190 nan 8.150 nan 0.000 0.445 266 N N -0.427 118.144 118.700 -0.214 0.000 2.223 266 N HA -0.129 4.612 4.740 0.001 0.000 0.185 266 N C 1.688 177.161 175.510 -0.063 0.000 1.016 266 N CA 1.602 54.586 53.050 -0.109 0.000 0.863 266 N CB -0.127 38.312 38.487 -0.079 0.000 0.983 266 N HN 0.687 nan 8.380 nan 0.000 0.429 267 E N -0.761 119.375 120.200 -0.107 0.000 2.122 267 E HA -0.015 4.336 4.350 0.001 0.000 0.190 267 E C 1.630 178.239 176.600 0.015 0.000 0.977 267 E CA 0.930 57.336 56.400 0.010 0.000 0.820 267 E CB 0.063 29.749 29.700 -0.023 0.000 0.770 267 E HN 0.269 nan 8.360 nan 0.000 0.462 268 T N 1.782 116.194 114.554 -0.237 0.000 2.684 268 T HA -0.177 4.173 4.350 0.001 0.000 0.267 268 T C 1.911 176.719 174.700 0.181 0.000 1.036 268 T CA 0.992 63.028 62.100 -0.107 0.000 1.148 268 T CB -0.231 68.464 68.868 -0.289 0.000 0.863 268 T HN 0.036 nan 8.240 nan 0.000 0.436 269 I N 0.913 121.522 120.570 0.065 0.000 2.454 269 I HA -0.027 4.143 4.170 0.001 0.000 0.254 269 I C 1.782 177.971 176.117 0.121 0.000 1.156 269 I CA 1.103 62.478 61.300 0.124 0.000 1.433 269 I CB -0.344 37.695 38.000 0.065 0.000 1.082 269 I HN 0.234 nan 8.210 nan 0.000 0.432 270 L N -0.344 120.922 121.223 0.071 0.000 2.492 270 L HA 0.022 4.362 4.340 0.001 0.000 0.223 270 L C 1.662 178.586 176.870 0.089 0.000 1.132 270 L CA 0.478 55.272 54.840 -0.075 0.000 0.850 270 L CB -0.371 41.481 42.059 -0.345 0.000 0.966 270 L HN 0.194 nan 8.230 nan 0.000 0.454 271 E N 0.086 120.486 120.200 0.333 0.000 2.511 271 E HA 0.234 4.584 4.350 0.001 0.000 0.209 271 E C 0.671 177.405 176.600 0.222 0.000 0.986 271 E CA 0.007 56.667 56.400 0.433 0.000 0.974 271 E CB 0.730 30.887 29.700 0.762 0.000 1.030 271 E HN 0.260 nan 8.360 nan 0.000 0.490 272 A N 1.304 124.253 122.820 0.215 0.000 2.366 272 A HA 0.171 4.491 4.320 0.001 0.000 0.249 272 A C 0.439 177.979 177.584 -0.074 0.000 1.084 272 A CA -0.108 51.931 52.037 0.004 0.000 0.794 272 A CB 0.507 19.635 19.000 0.212 0.000 1.034 272 A HN -0.151 nan 8.150 nan 0.000 0.491 273 D N -0.399 119.893 120.400 -0.180 0.000 2.566 273 D HA 0.126 4.767 4.640 0.001 0.000 0.253 273 D C 0.023 176.292 176.300 -0.052 0.000 0.992 273 D CA 1.377 55.309 54.000 -0.112 0.000 0.940 273 D CB 0.029 40.727 40.800 -0.170 0.000 1.095 273 D HN 0.479 nan 8.370 nan 0.000 0.480 274 T N 1.131 115.648 114.554 -0.061 0.000 2.792 274 T HA 0.530 4.880 4.350 0.001 0.000 0.280 274 T C -0.355 174.330 174.700 -0.025 0.000 0.990 274 T CA -0.519 61.558 62.100 -0.038 0.000 0.960 274 T CB 2.621 71.464 68.868 -0.042 0.000 0.939 274 T HN -0.305 nan 8.240 nan 0.000 0.439 275 V N 4.343 124.205 119.914 -0.086 0.000 2.417 275 V HA 0.439 4.559 4.120 0.001 0.000 0.291 275 V C -0.436 175.495 176.094 -0.272 0.000 1.024 275 V CA -0.875 61.344 62.300 -0.135 0.000 0.861 275 V CB 1.556 33.246 31.823 -0.221 0.000 0.985 275 V HN 0.681 nan 8.190 nan 0.000 0.436 276 L N 6.235 127.385 121.223 -0.122 0.000 2.287 276 L HA 0.499 4.839 4.340 0.001 0.000 0.280 276 L C -0.695 176.133 176.870 -0.070 0.000 1.055 276 L CA -0.042 54.724 54.840 -0.124 0.000 0.863 276 L CB 0.321 42.356 42.059 -0.040 0.000 1.245 276 L HN 0.540 nan 8.230 nan 0.000 0.432 277 F N 5.278 124.952 119.950 -0.460 0.000 2.462 277 F HA 0.576 5.104 4.527 0.002 0.000 0.354 277 F C 0.434 176.128 175.800 -0.176 0.000 1.192 277 F CA -0.816 56.956 58.000 -0.380 0.000 1.173 277 F CB 0.278 38.816 39.000 -0.770 0.000 1.402 277 F HN 0.599 nan 8.300 nan 0.000 0.595 278 A N 4.220 126.927 122.820 -0.188 0.000 2.253 278 A HA 0.540 4.860 4.320 0.001 0.000 0.316 278 A C 0.864 178.314 177.584 -0.224 0.000 1.327 278 A CA -0.099 51.839 52.037 -0.164 0.000 0.917 278 A CB -0.261 18.701 19.000 -0.063 0.000 1.162 278 A HN 1.561 nan 8.150 nan 0.000 0.535 279 G N 1.565 110.235 108.800 -0.217 0.000 2.359 279 G HA2 -0.002 3.958 3.960 0.001 0.000 0.298 279 G HA3 -0.002 3.958 3.960 0.001 0.000 0.298 279 G C 0.141 174.898 174.900 -0.238 0.000 1.030 279 G CA 0.803 45.800 45.100 -0.170 0.000 1.149 279 G HN 1.683 nan 8.290 nan 0.000 0.512 280 S N -0.893 114.532 115.700 -0.459 0.000 2.564 280 S HA 0.715 5.185 4.470 0.001 0.000 0.274 280 S C -0.143 174.334 174.600 -0.204 0.000 1.124 280 S CA -0.320 57.619 58.200 -0.435 0.000 0.869 280 S CB 1.775 64.494 63.200 -0.801 0.000 1.105 280 S HN 0.667 nan 8.310 nan 0.000 0.472 281 N N 2.108 120.869 118.700 0.102 0.000 2.588 281 N HA 0.235 4.976 4.740 0.001 0.000 0.298 281 N C -1.134 174.575 175.510 0.332 0.000 1.718 281 N CA -0.550 52.651 53.050 0.252 0.000 0.888 281 N CB -0.189 38.384 38.487 0.142 0.000 1.389 281 N HN 0.491 nan 8.380 nan 0.000 0.491 282 F N 2.524 122.662 119.950 0.313 0.000 2.473 282 F HA 0.054 4.581 4.527 0.001 0.000 0.405 282 F C -1.109 174.803 175.800 0.187 0.000 0.988 282 F CA -1.246 56.930 58.000 0.294 0.000 1.096 282 F CB 0.727 39.952 39.000 0.375 0.000 0.944 282 F HN 0.276 nan 8.300 nan 0.000 0.530 283 P HA -0.167 nan 4.420 nan 0.000 0.226 283 P C 1.163 178.027 177.300 -0.728 0.000 1.153 283 P CA 1.377 64.189 63.100 -0.480 0.000 0.777 283 P CB -0.121 31.273 31.700 -0.510 0.000 0.794 284 F N 0.017 119.416 119.950 -0.918 0.000 2.789 284 F HA 0.094 4.620 4.527 -0.001 0.000 0.300 284 F C 2.432 177.956 175.800 -0.461 0.000 1.132 284 F CA 0.285 57.836 58.000 -0.747 0.000 1.404 284 F CB -0.809 37.630 39.000 -0.934 0.000 1.114 284 F HN -0.146 nan 8.300 nan 0.000 0.584 285 S N 0.821 116.421 115.700 -0.166 0.000 2.401 285 S HA -0.318 4.152 4.470 0.001 0.000 0.236 285 S C 1.928 176.546 174.600 0.030 0.000 1.058 285 S CA 2.291 60.547 58.200 0.092 0.000 1.151 285 S CB -0.418 62.958 63.200 0.294 0.000 1.049 285 S HN 0.441 nan 8.310 nan 0.000 0.432 286 E N 0.506 120.710 120.200 0.007 0.000 2.028 286 E HA -0.064 4.286 4.350 0.001 0.000 0.190 286 E C 2.324 178.909 176.600 -0.026 0.000 0.984 286 E CA 1.129 57.527 56.400 -0.003 0.000 0.800 286 E CB -0.472 29.217 29.700 -0.017 0.000 0.758 286 E HN 0.535 nan 8.360 nan 0.000 0.448 287 V N -0.297 119.586 119.914 -0.051 0.000 2.720 287 V HA -0.114 4.006 4.120 0.001 0.000 0.256 287 V C 1.263 177.327 176.094 -0.050 0.000 1.082 287 V CA 1.508 63.781 62.300 -0.045 0.000 1.101 287 V CB -0.249 31.544 31.823 -0.051 0.000 0.693 287 V HN 0.060 nan 8.190 nan 0.000 0.479 288 E N 0.721 120.872 120.200 -0.082 0.000 2.498 288 E HA 0.267 4.618 4.350 0.001 0.000 0.203 288 E C 1.671 178.245 176.600 -0.044 0.000 1.013 288 E CA 0.513 56.851 56.400 -0.103 0.000 0.927 288 E CB 0.310 29.832 29.700 -0.298 0.000 1.012 288 E HN 0.844 nan 8.360 nan 0.000 0.482 289 G N 2.178 110.960 108.800 -0.030 0.000 2.283 289 G HA2 -0.364 3.597 3.960 0.001 0.000 0.280 289 G HA3 -0.364 3.597 3.960 0.001 0.000 0.280 289 G C 1.121 175.990 174.900 -0.051 0.000 1.029 289 G CA 1.002 46.093 45.100 -0.014 0.000 0.840 289 G HN 0.270 nan 8.290 nan 0.000 0.505 290 T N -0.047 114.430 114.554 -0.129 0.000 2.653 290 T HA -0.190 4.160 4.350 0.001 0.000 0.268 290 T C 1.525 175.987 174.700 -0.396 0.000 1.035 290 T CA 1.926 63.838 62.100 -0.312 0.000 1.154 290 T CB -0.231 68.311 68.868 -0.543 0.000 0.862 290 T HN 0.421 nan 8.240 nan 0.000 0.441 291 F N 1.466 121.461 119.950 0.075 0.000 2.668 291 F HA 0.325 4.852 4.527 0.000 0.000 0.297 291 F C 1.774 177.604 175.800 0.051 0.000 1.124 291 F CA -1.047 56.972 58.000 0.031 0.000 1.353 291 F CB -0.555 38.395 39.000 -0.083 0.000 0.992 291 F HN 0.121 nan 8.300 nan 0.000 0.524 292 R N -0.263 120.315 120.500 0.131 0.000 2.159 292 R HA -0.126 4.214 4.340 0.001 0.000 0.237 292 R C 0.667 177.015 176.300 0.079 0.000 1.131 292 R CA 1.715 57.871 56.100 0.094 0.000 0.982 292 R CB -0.433 29.882 30.300 0.024 0.000 0.868 292 R HN 0.109 nan 8.270 nan 0.000 0.453 293 N N 0.987 119.719 118.700 0.054 0.000 2.236 293 N HA 0.058 4.798 4.740 0.001 0.000 0.196 293 N C 0.067 175.625 175.510 0.080 0.000 1.114 293 N CA 0.359 53.437 53.050 0.046 0.000 0.859 293 N CB 0.994 39.469 38.487 -0.021 0.000 0.982 293 N HN 0.204 nan 8.380 nan 0.000 0.493 294 V N -0.993 118.991 119.914 0.116 0.000 2.811 294 V HA 0.231 4.352 4.120 0.001 0.000 0.302 294 V C 0.734 176.878 176.094 0.083 0.000 1.063 294 V CA -0.073 62.284 62.300 0.094 0.000 1.088 294 V CB 1.370 33.248 31.823 0.092 0.000 0.982 294 V HN -0.055 nan 8.190 nan 0.000 0.485 295 D N 2.412 122.844 120.400 0.054 0.000 2.338 295 D HA 0.113 4.754 4.640 0.001 0.000 0.224 295 D C 0.342 176.690 176.300 0.080 0.000 0.967 295 D CA 0.973 55.008 54.000 0.059 0.000 0.896 295 D CB 0.323 41.138 40.800 0.024 0.000 1.028 295 D HN 0.772 nan 8.370 nan 0.000 0.493 296 N N -0.702 118.033 118.700 0.058 0.000 2.240 296 N HA 0.429 5.170 4.740 0.001 0.000 0.302 296 N C -1.601 173.952 175.510 0.072 0.000 1.106 296 N CA -0.576 52.519 53.050 0.075 0.000 0.778 296 N CB 2.400 40.907 38.487 0.033 0.000 1.431 296 N HN -0.132 nan 8.380 nan 0.000 0.479 297 F N 2.362 122.244 119.950 -0.113 0.000 2.579 297 F HA 0.550 5.079 4.527 0.002 0.000 0.325 297 F C -1.467 174.251 175.800 -0.138 0.000 1.162 297 F CA -0.565 57.302 58.000 -0.221 0.000 0.946 297 F CB 0.848 39.623 39.000 -0.375 0.000 1.211 297 F HN 0.295 nan 8.300 nan 0.000 0.447 298 I N 5.446 125.806 120.570 -0.349 0.000 2.404 298 I HA 0.400 4.570 4.170 0.001 0.000 0.293 298 I C -0.834 175.118 176.117 -0.275 0.000 0.992 298 I CA -0.631 60.552 61.300 -0.195 0.000 1.149 298 I CB 1.951 39.869 38.000 -0.136 0.000 1.315 298 I HN 0.562 nan 8.210 nan 0.000 0.446 299 Q N 6.674 126.433 119.800 -0.069 0.000 2.353 299 Q HA 0.676 5.016 4.340 0.001 0.000 0.268 299 Q C -1.670 174.337 176.000 0.012 0.000 1.045 299 Q CA -0.652 55.166 55.803 0.025 0.000 0.811 299 Q CB 2.391 31.276 28.738 0.246 0.000 1.305 299 Q HN 0.625 nan 8.270 nan 0.000 0.447 300 I N 3.131 123.693 120.570 -0.014 0.000 2.436 300 I HA 0.499 4.669 4.170 0.001 0.000 0.289 300 I C -0.835 175.263 176.117 -0.033 0.000 1.010 300 I CA -0.537 60.745 61.300 -0.030 0.000 1.098 300 I CB 1.828 39.796 38.000 -0.053 0.000 1.266 300 I HN 0.614 nan 8.210 nan 0.000 0.434 301 D N 4.749 125.138 120.400 -0.017 0.000 2.663 301 D HA 0.307 4.947 4.640 0.001 0.000 0.233 301 D C 0.175 176.468 176.300 -0.013 0.000 1.240 301 D CA -0.432 53.559 54.000 -0.015 0.000 0.774 301 D CB 2.393 43.199 40.800 0.009 0.000 1.443 301 D HN 0.537 nan 8.370 nan 0.000 0.441 302 I N -1.512 119.051 120.570 -0.012 0.000 3.603 302 I HA 0.272 4.442 4.170 0.001 0.000 0.297 302 I C 0.400 176.508 176.117 -0.015 0.000 1.269 302 I CA 0.120 61.411 61.300 -0.016 0.000 1.361 302 I CB 0.233 38.228 38.000 -0.008 0.000 1.063 302 I HN -0.016 nan 8.210 nan 0.000 0.448 303 D N 3.335 123.733 120.400 -0.003 0.000 2.412 303 D HA 0.244 4.884 4.640 0.001 0.000 0.224 303 D C -1.480 174.824 176.300 0.006 0.000 1.093 303 D CA -2.718 51.282 54.000 0.000 0.000 0.850 303 D CB 1.669 42.475 40.800 0.010 0.000 1.046 303 D HN -0.009 nan 8.370 nan 0.000 0.507 304 P HA -0.152 nan 4.420 nan 0.000 0.219 304 P C 0.994 178.301 177.300 0.012 0.000 1.146 304 P CA 0.663 63.764 63.100 0.002 0.000 0.808 304 P CB 0.246 31.941 31.700 -0.009 0.000 0.779 305 A N -0.559 122.268 122.820 0.012 0.000 2.121 305 A HA -0.078 4.242 4.320 0.001 0.000 0.218 305 A C 2.105 179.708 177.584 0.031 0.000 1.154 305 A CA 1.293 53.340 52.037 0.017 0.000 0.679 305 A CB -0.970 18.038 19.000 0.013 0.000 0.795 305 A HN 0.074 nan 8.150 nan 0.000 0.458 306 M N -0.582 119.044 119.600 0.043 0.000 2.510 306 M HA 0.248 4.729 4.480 0.001 0.000 0.256 306 M C 0.225 176.581 176.300 0.094 0.000 1.132 306 M CA 0.336 55.680 55.300 0.074 0.000 1.105 306 M CB -0.779 31.869 32.600 0.080 0.000 1.375 306 M HN 0.217 nan 8.290 nan 0.000 0.477 307 L N 1.453 122.716 121.223 0.066 0.000 2.597 307 L HA 0.158 4.498 4.340 0.001 0.000 0.271 307 L C 1.272 178.170 176.870 0.048 0.000 1.157 307 L CA 0.249 55.130 54.840 0.067 0.000 0.928 307 L CB -0.703 41.377 42.059 0.035 0.000 1.216 307 L HN 0.674 nan 8.230 nan 0.000 0.481 308 G N 2.512 111.349 108.800 0.062 0.000 2.143 308 G HA2 -0.332 3.629 3.960 0.001 0.000 0.249 308 G HA3 -0.332 3.629 3.960 0.001 0.000 0.249 308 G C 1.047 175.933 174.900 -0.024 0.000 0.981 308 G CA 0.587 45.679 45.100 -0.014 0.000 0.665 308 G HN 0.740 nan 8.290 nan 0.000 0.528 309 K N -0.145 120.272 120.400 0.029 0.000 2.031 309 K HA 0.032 4.352 4.320 0.001 0.000 0.205 309 K C 2.486 179.084 176.600 -0.004 0.000 1.049 309 K CA 1.040 57.341 56.287 0.025 0.000 0.939 309 K CB -0.147 32.394 32.500 0.068 0.000 0.717 309 K HN 0.234 nan 8.250 nan 0.000 0.438 310 R N -0.277 120.225 120.500 0.004 0.000 2.276 310 R HA 0.089 4.430 4.340 0.001 0.000 0.196 310 R C 0.337 176.534 176.300 -0.172 0.000 0.961 310 R CA 0.471 56.556 56.100 -0.026 0.000 1.024 310 R CB -0.020 30.331 30.300 0.084 0.000 0.940 310 R HN 0.403 nan 8.270 nan 0.000 0.480 311 H N -1.160 117.590 119.070 -0.534 0.000 3.043 311 H HA 0.027 4.584 4.556 0.001 0.000 0.317 311 H C -1.354 173.607 175.328 -0.612 0.000 1.321 311 H CA -0.872 54.744 56.048 -0.721 0.000 1.243 311 H CB 0.931 29.798 29.762 -1.493 0.000 1.924 311 H HN 0.111 nan 8.280 nan 0.000 0.527 312 H N 1.903 120.601 119.070 -0.621 0.000 3.001 312 H HA 0.424 4.981 4.556 0.001 0.000 0.334 312 H C -0.848 174.460 175.328 -0.033 0.000 1.034 312 H CA 0.801 56.693 56.048 -0.261 0.000 1.420 312 H CB 0.353 29.960 29.762 -0.259 0.000 1.405 312 H HN 0.606 nan 8.280 nan 0.000 0.593 313 A N 4.821 127.302 122.820 -0.566 0.000 2.271 313 A HA 0.201 4.522 4.320 0.001 0.000 0.317 313 A C 0.651 177.995 177.584 -0.400 0.000 1.245 313 A CA -0.549 51.365 52.037 -0.204 0.000 0.857 313 A CB 0.537 19.529 19.000 -0.013 0.000 1.175 313 A HN 0.976 nan 8.150 nan 0.000 0.512 314 D N 1.080 121.418 120.400 -0.103 0.000 2.234 314 D HA 0.030 4.670 4.640 0.001 0.000 0.205 314 D C 0.007 176.297 176.300 -0.016 0.000 0.962 314 D CA 1.464 55.454 54.000 -0.016 0.000 0.855 314 D CB 0.441 41.293 40.800 0.086 0.000 0.951 314 D HN 0.274 nan 8.370 nan 0.000 0.500 315 V N 0.596 120.502 119.914 -0.014 0.000 2.623 315 V HA 0.570 4.690 4.120 0.001 0.000 0.304 315 V C -0.728 175.360 176.094 -0.010 0.000 1.054 315 V CA -0.955 61.337 62.300 -0.013 0.000 0.882 315 V CB 1.978 33.793 31.823 -0.014 0.000 1.002 315 V HN 0.049 nan 8.190 nan 0.000 0.424 316 A N 6.099 128.912 122.820 -0.011 0.000 2.330 316 A HA 0.914 5.235 4.320 0.001 0.000 0.313 316 A C -0.904 176.676 177.584 -0.006 0.000 1.124 316 A CA -0.430 51.607 52.037 -0.000 0.000 0.774 316 A CB 0.790 19.788 19.000 -0.003 0.000 1.198 316 A HN 0.770 nan 8.150 nan 0.000 0.465 317 I N 3.173 123.739 120.570 -0.007 0.000 2.382 317 I HA 0.257 4.427 4.170 0.001 0.000 0.285 317 I C -0.835 175.273 176.117 -0.016 0.000 1.007 317 I CA -0.636 60.655 61.300 -0.016 0.000 1.142 317 I CB 1.688 39.673 38.000 -0.025 0.000 1.289 317 I HN 0.581 nan 8.210 nan 0.000 0.453 318 L N 7.449 128.661 121.223 -0.018 0.000 2.257 318 L HA 0.914 5.255 4.340 0.001 0.000 0.290 318 L C 0.173 177.025 176.870 -0.030 0.000 1.044 318 L CA 0.578 55.405 54.840 -0.022 0.000 0.810 318 L CB 0.662 42.706 42.059 -0.023 0.000 1.193 318 L HN 0.765 nan 8.230 nan 0.000 0.425 319 G N 3.253 112.034 108.800 -0.032 0.000 2.359 319 G HA2 0.054 4.015 3.960 0.001 0.000 0.293 319 G HA3 0.054 4.015 3.960 0.001 0.000 0.293 319 G C -1.664 173.213 174.900 -0.037 0.000 1.300 319 G CA -0.674 44.404 45.100 -0.036 0.000 0.888 319 G HN 0.716 nan 8.290 nan 0.000 0.541 320 D N 0.084 120.460 120.400 -0.040 0.000 2.458 320 D HA 0.511 5.151 4.640 0.001 0.000 0.243 320 D C 1.513 177.760 176.300 -0.089 0.000 1.146 320 D CA 0.997 54.968 54.000 -0.049 0.000 0.877 320 D CB 1.356 42.128 40.800 -0.047 0.000 1.176 320 D HN 0.843 nan 8.370 nan 0.000 0.461 321 A N 3.928 126.695 122.820 -0.089 0.000 1.933 321 A HA -0.041 4.280 4.320 0.001 0.000 0.218 321 A C 2.136 179.580 177.584 -0.233 0.000 1.175 321 A CA 1.774 53.745 52.037 -0.110 0.000 0.628 321 A CB -0.904 18.067 19.000 -0.047 0.000 0.814 321 A HN 0.696 nan 8.150 nan 0.000 0.444 322 A N 0.086 122.607 122.820 -0.498 0.000 1.851 322 A HA -0.091 4.229 4.320 0.001 0.000 0.216 322 A C 2.171 179.534 177.584 -0.368 0.000 1.195 322 A CA 1.591 53.104 52.037 -0.873 0.000 0.622 322 A CB -0.743 17.364 19.000 -1.489 0.000 0.831 322 A HN 0.474 nan 8.150 nan 0.000 0.444 323 L N -0.818 120.259 121.223 -0.244 0.000 2.046 323 L HA -0.215 4.125 4.340 0.001 0.000 0.208 323 L C 3.116 179.924 176.870 -0.104 0.000 1.077 323 L CA 1.153 55.913 54.840 -0.132 0.000 0.747 323 L CB -0.690 41.317 42.059 -0.087 0.000 0.896 323 L HN 0.464 nan 8.230 nan 0.000 0.432 324 A N 0.279 123.037 122.820 -0.104 0.000 1.877 324 A HA -0.182 4.139 4.320 0.001 0.000 0.216 324 A C 2.193 179.735 177.584 -0.070 0.000 1.186 324 A CA 1.407 53.400 52.037 -0.075 0.000 0.620 324 A CB -0.505 18.454 19.000 -0.068 0.000 0.822 324 A HN 0.264 nan 8.150 nan 0.000 0.443 325 I N 0.504 121.022 120.570 -0.087 0.000 2.226 325 I HA -0.198 3.973 4.170 0.001 0.000 0.245 325 I C 1.800 177.885 176.117 -0.053 0.000 1.100 325 I CA 1.631 62.894 61.300 -0.062 0.000 1.374 325 I CB -1.450 36.513 38.000 -0.062 0.000 1.057 325 I HN 0.285 nan 8.210 nan 0.000 0.413 326 D N 0.673 121.032 120.400 -0.069 0.000 2.117 326 D HA -0.161 4.480 4.640 0.001 0.000 0.197 326 D C 2.149 178.426 176.300 -0.038 0.000 0.987 326 D CA 0.977 54.947 54.000 -0.050 0.000 0.829 326 D CB -0.059 40.707 40.800 -0.056 0.000 0.961 326 D HN 0.295 nan 8.370 nan 0.000 0.460 327 E N 0.341 120.515 120.200 -0.042 0.000 2.072 327 E HA -0.089 4.261 4.350 0.001 0.000 0.191 327 E C 2.494 179.078 176.600 -0.028 0.000 0.985 327 E CA 0.316 56.697 56.400 -0.032 0.000 0.801 327 E CB -0.146 29.534 29.700 -0.034 0.000 0.750 327 E HN 0.407 nan 8.360 nan 0.000 0.452 328 I N 0.718 121.270 120.570 -0.030 0.000 2.202 328 I HA -0.255 3.915 4.170 0.001 0.000 0.242 328 I C 2.515 178.619 176.117 -0.021 0.000 1.091 328 I CA 0.503 61.788 61.300 -0.025 0.000 1.368 328 I CB -0.231 37.754 38.000 -0.025 0.000 1.058 328 I HN 0.083 nan 8.210 nan 0.000 0.410 329 L N 1.100 122.310 121.223 -0.021 0.000 2.042 329 L HA -0.276 4.064 4.340 0.001 0.000 0.210 329 L C 2.057 178.916 176.870 -0.018 0.000 1.076 329 L CA 2.036 56.866 54.840 -0.018 0.000 0.749 329 L CB -1.015 41.034 42.059 -0.016 0.000 0.893 329 L HN 0.283 nan 8.230 nan 0.000 0.432 330 N N -1.285 117.403 118.700 -0.019 0.000 2.270 330 N HA -0.166 4.575 4.740 0.001 0.000 0.181 330 N C 1.612 177.112 175.510 -0.016 0.000 1.016 330 N CA 0.775 53.815 53.050 -0.017 0.000 0.870 330 N CB 0.075 38.552 38.487 -0.016 0.000 0.979 330 N HN 0.422 nan 8.380 nan 0.000 0.431 331 K N 0.195 120.585 120.400 -0.017 0.000 2.284 331 K HA 0.098 4.418 4.320 0.001 0.000 0.198 331 K C 0.516 177.106 176.600 -0.016 0.000 1.048 331 K CA -0.114 56.163 56.287 -0.016 0.000 0.987 331 K CB 0.527 33.018 32.500 -0.016 0.000 0.800 331 K HN -0.033 nan 8.250 nan 0.000 0.486 332 V N 2.487 122.390 119.914 -0.018 0.000 2.963 332 V HA -0.027 4.094 4.120 0.001 0.000 0.306 332 V C -0.502 175.579 176.094 -0.021 0.000 1.077 332 V CA -0.134 62.155 62.300 -0.019 0.000 1.124 332 V CB 0.847 32.659 31.823 -0.019 0.000 0.987 332 V HN 0.166 nan 8.190 nan 0.000 0.487 333 D N 3.999 124.386 120.400 -0.022 0.000 2.345 333 D HA 0.466 5.107 4.640 0.001 0.000 0.247 333 D C 0.174 176.454 176.300 -0.034 0.000 1.108 333 D CA 0.397 54.383 54.000 -0.024 0.000 0.894 333 D CB 1.516 42.303 40.800 -0.021 0.000 1.203 333 D HN 0.865 nan 8.370 nan 0.000 0.430 334 A N 1.848 124.645 122.820 -0.038 0.000 2.388 334 A HA 0.399 4.719 4.320 0.001 0.000 0.257 334 A C -0.175 177.373 177.584 -0.061 0.000 1.095 334 A CA -0.431 51.573 52.037 -0.054 0.000 0.791 334 A CB 0.530 19.500 19.000 -0.051 0.000 1.029 334 A HN 0.353 nan 8.150 nan 0.000 0.489 335 V N 3.345 123.205 119.914 -0.090 0.000 2.357 335 V HA 0.186 4.307 4.120 0.001 0.000 0.284 335 V C 0.693 176.713 176.094 -0.123 0.000 1.018 335 V CA -0.261 61.984 62.300 -0.091 0.000 0.841 335 V CB 0.931 32.697 31.823 -0.094 0.000 0.991 335 V HN 1.127 nan 8.190 nan 0.000 0.437 336 E N 2.429 122.579 120.200 -0.083 0.000 2.033 336 E HA 0.005 4.356 4.350 0.001 0.000 0.189 336 E C 0.705 177.256 176.600 -0.082 0.000 0.979 336 E CA 0.632 56.984 56.400 -0.079 0.000 0.802 336 E CB 0.469 30.143 29.700 -0.043 0.000 0.763 336 E HN 0.621 nan 8.360 nan 0.000 0.449 337 E N 0.636 120.809 120.200 -0.045 0.000 2.288 337 E HA 0.310 4.660 4.350 0.001 0.000 0.268 337 E C -1.630 174.986 176.600 0.026 0.000 0.885 337 E CA -0.466 55.930 56.400 -0.007 0.000 0.767 337 E CB 2.193 31.905 29.700 0.019 0.000 1.220 337 E HN -0.022 nan 8.360 nan 0.000 0.427 338 S N 2.265 118.018 115.700 0.090 0.000 2.649 338 S HA 0.525 4.995 4.470 0.001 0.000 0.274 338 S C 0.256 175.002 174.600 0.243 0.000 1.176 338 S CA 0.201 58.504 58.200 0.173 0.000 0.988 338 S CB 1.037 64.366 63.200 0.215 0.000 1.071 338 S HN 0.569 nan 8.310 nan 0.000 0.478 339 A N 5.200 128.148 122.820 0.214 0.000 1.933 339 A HA 0.004 4.324 4.320 0.001 0.000 0.218 339 A C 1.836 179.587 177.584 0.278 0.000 1.175 339 A CA 1.296 53.453 52.037 0.201 0.000 0.628 339 A CB -0.933 18.162 19.000 0.159 0.000 0.814 339 A HN 1.026 nan 8.150 nan 0.000 0.444 340 W N -0.337 121.048 121.300 0.141 0.000 2.335 340 W HA -0.207 4.453 4.660 0.000 0.000 0.311 340 W C 2.128 178.785 176.519 0.230 0.000 1.213 340 W CA 1.610 59.059 57.345 0.174 0.000 1.274 340 W CB -0.447 29.111 29.460 0.163 0.000 1.148 340 W HN 0.613 nan 8.180 nan 0.000 0.498 341 W N 1.927 123.232 121.300 0.007 0.000 2.379 341 W HA -0.198 4.462 4.660 0.001 0.000 0.307 341 W C 2.069 178.495 176.519 -0.154 0.000 1.200 341 W CA 2.486 59.737 57.345 -0.155 0.000 1.297 341 W CB -0.860 28.580 29.460 -0.033 0.000 1.140 341 W HN -0.225 nan 8.180 nan 0.000 0.507 342 T N 1.628 116.255 114.554 0.121 0.000 2.684 342 T HA -0.196 4.154 4.350 0.001 0.000 0.267 342 T C 2.075 176.705 174.700 -0.117 0.000 1.036 342 T CA 2.395 64.486 62.100 -0.015 0.000 1.148 342 T CB -0.799 68.122 68.868 0.088 0.000 0.863 342 T HN 0.248 nan 8.240 nan 0.000 0.436 343 A N 2.169 124.968 122.820 -0.035 0.000 1.902 343 A HA -0.155 4.165 4.320 0.001 0.000 0.217 343 A C 2.306 179.886 177.584 -0.008 0.000 1.181 343 A CA 1.446 53.496 52.037 0.022 0.000 0.623 343 A CB -0.618 18.431 19.000 0.082 0.000 0.818 343 A HN 0.429 nan 8.150 nan 0.000 0.443 344 N N 0.037 118.611 118.700 -0.209 0.000 2.142 344 N HA -0.077 4.663 4.740 0.001 0.000 0.186 344 N C 1.756 176.955 175.510 -0.520 0.000 1.023 344 N CA 1.339 54.119 53.050 -0.449 0.000 0.852 344 N CB -0.312 37.725 38.487 -0.750 0.000 0.998 344 N HN 0.489 nan 8.380 nan 0.000 0.424 345 L N 1.311 122.175 121.223 -0.598 0.000 2.046 345 L HA -0.159 4.181 4.340 0.001 0.000 0.208 345 L C 2.251 178.861 176.870 -0.433 0.000 1.077 345 L CA 1.264 55.755 54.840 -0.582 0.000 0.747 345 L CB -0.322 41.368 42.059 -0.616 0.000 0.896 345 L HN 0.125 nan 8.230 nan 0.000 0.432 346 K N -0.196 119.941 120.400 -0.438 0.000 2.097 346 K HA -0.175 4.146 4.320 0.001 0.000 0.205 346 K C 1.898 178.050 176.600 -0.746 0.000 1.050 346 K CA 1.419 57.362 56.287 -0.572 0.000 0.938 346 K CB -0.190 31.900 32.500 -0.683 0.000 0.718 346 K HN 0.150 nan 8.250 nan 0.000 0.442 347 N N 1.324 119.640 118.700 -0.640 0.000 2.120 347 N HA -0.107 4.633 4.740 0.001 0.000 0.188 347 N C 1.542 176.950 175.510 -0.169 0.000 1.024 347 N CA 1.105 53.960 53.050 -0.326 0.000 0.852 347 N CB -0.018 38.405 38.487 -0.107 0.000 1.003 347 N HN 0.103 nan 8.380 nan 0.000 0.424 348 I N 0.009 120.444 120.570 -0.225 0.000 2.202 348 I HA -0.209 3.962 4.170 0.001 0.000 0.242 348 I C 2.254 178.372 176.117 0.002 0.000 1.091 348 I CA 1.052 62.304 61.300 -0.081 0.000 1.368 348 I CB -0.407 37.486 38.000 -0.178 0.000 1.058 348 I HN 0.163 nan 8.210 nan 0.000 0.410 349 A N 0.809 123.558 122.820 -0.118 0.000 1.940 349 A HA -0.277 4.044 4.320 0.001 0.000 0.219 349 A C 2.191 179.761 177.584 -0.023 0.000 1.176 349 A CA 2.138 54.124 52.037 -0.086 0.000 0.631 349 A CB -1.034 17.880 19.000 -0.143 0.000 0.814 349 A HN 0.573 nan 8.150 nan 0.000 0.446 350 N N -1.204 117.488 118.700 -0.013 0.000 2.120 350 N HA -0.202 4.538 4.740 0.001 0.000 0.188 350 N C 1.869 177.470 175.510 0.151 0.000 1.024 350 N CA 1.651 54.755 53.050 0.091 0.000 0.852 350 N CB -0.325 38.282 38.487 0.199 0.000 1.003 350 N HN 0.822 nan 8.380 nan 0.000 0.424 351 W N 1.962 123.249 121.300 -0.021 0.000 2.381 351 W HA -0.079 4.582 4.660 0.001 0.000 0.301 351 W C 1.766 178.264 176.519 -0.034 0.000 1.205 351 W CA 0.731 58.066 57.345 -0.017 0.000 1.285 351 W CB -0.182 29.253 29.460 -0.042 0.000 1.133 351 W HN 0.095 nan 8.180 nan 0.000 0.521 352 R N 0.155 120.622 120.500 -0.055 0.000 2.148 352 R HA -0.141 4.199 4.340 0.001 0.000 0.227 352 R C 2.091 178.284 176.300 -0.180 0.000 1.103 352 R CA 1.339 57.326 56.100 -0.189 0.000 0.983 352 R CB -0.267 30.007 30.300 -0.044 0.000 0.874 352 R HN 0.089 nan 8.270 nan 0.000 0.451 353 E N -0.004 120.140 120.200 -0.094 0.000 2.072 353 E HA -0.216 4.135 4.350 0.001 0.000 0.191 353 E C 1.666 178.198 176.600 -0.114 0.000 0.985 353 E CA 1.127 57.484 56.400 -0.072 0.000 0.801 353 E CB -0.297 29.395 29.700 -0.014 0.000 0.750 353 E HN 0.367 nan 8.360 nan 0.000 0.452 354 Y N 1.570 121.700 120.300 -0.283 0.000 2.114 354 Y HA -0.203 4.347 4.550 0.001 0.000 0.284 354 Y C 2.147 177.758 175.900 -0.481 0.000 1.143 354 Y CA 1.305 59.190 58.100 -0.359 0.000 1.135 354 Y CB -0.301 37.920 38.460 -0.399 0.000 0.980 354 Y HN -0.086 nan 8.280 nan 0.000 0.499 355 I N 0.895 121.014 120.570 -0.752 0.000 2.226 355 I HA -0.303 3.867 4.170 0.001 0.000 0.245 355 I C 2.201 178.036 176.117 -0.469 0.000 1.100 355 I CA 1.883 62.720 61.300 -0.772 0.000 1.374 355 I CB -1.671 35.859 38.000 -0.784 0.000 1.057 355 I HN 0.379 nan 8.210 nan 0.000 0.413 356 N N 1.574 120.082 118.700 -0.319 0.000 2.166 356 N HA -0.236 4.504 4.740 0.001 0.000 0.186 356 N C 1.912 177.290 175.510 -0.219 0.000 1.019 356 N CA 1.839 54.776 53.050 -0.188 0.000 0.856 356 N CB -0.216 38.209 38.487 -0.103 0.000 0.993 356 N HN 0.368 nan 8.380 nan 0.000 0.426 357 M N -0.390 119.047 119.600 -0.272 0.000 2.117 357 M HA -0.014 4.466 4.480 0.001 0.000 0.262 357 M C 1.602 177.707 176.300 -0.325 0.000 1.065 357 M CA 1.596 56.745 55.300 -0.251 0.000 1.114 357 M CB -0.682 31.782 32.600 -0.226 0.000 1.361 357 M HN 0.112 nan 8.290 nan 0.000 0.408 358 L N -0.028 120.885 121.223 -0.517 0.000 2.056 358 L HA -0.103 4.238 4.340 0.001 0.000 0.207 358 L C 2.499 179.143 176.870 -0.378 0.000 1.078 358 L CA 1.557 56.030 54.840 -0.612 0.000 0.749 358 L CB -0.892 40.448 42.059 -1.198 0.000 0.901 358 L HN 0.443 nan 8.230 nan 0.000 0.433 359 E N -0.389 119.626 120.200 -0.309 0.000 2.150 359 E HA -0.167 4.184 4.350 0.001 0.000 0.193 359 E C 1.617 178.134 176.600 -0.138 0.000 0.985 359 E CA 1.661 57.950 56.400 -0.186 0.000 0.814 359 E CB -0.098 29.513 29.700 -0.148 0.000 0.752 359 E HN 0.523 nan 8.360 nan 0.000 0.466 360 T N -0.902 113.568 114.554 -0.139 0.000 3.206 360 T HA 0.164 4.514 4.350 0.001 0.000 0.253 360 T C 0.373 175.018 174.700 -0.092 0.000 1.042 360 T CA -0.413 61.628 62.100 -0.099 0.000 0.931 360 T CB -0.027 68.793 68.868 -0.080 0.000 1.029 360 T HN -0.133 nan 8.240 nan 0.000 0.564 361 K N 1.378 121.713 120.400 -0.108 0.000 2.469 361 K HA 0.109 4.430 4.320 0.001 0.000 0.274 361 K C 0.793 177.352 176.600 -0.068 0.000 0.983 361 K CA 0.161 56.393 56.287 -0.092 0.000 0.974 361 K CB 0.727 33.168 32.500 -0.099 0.000 0.913 361 K HN 0.394 nan 8.250 nan 0.000 0.493 362 E N 1.311 121.477 120.200 -0.056 0.000 2.201 362 E HA -0.009 4.341 4.350 0.001 0.000 0.193 362 E C -0.295 176.281 176.600 -0.040 0.000 0.957 362 E CA 0.655 57.029 56.400 -0.043 0.000 0.858 362 E CB 0.543 30.221 29.700 -0.036 0.000 0.816 362 E HN 0.504 nan 8.360 nan 0.000 0.475 363 E N -0.747 119.427 120.200 -0.043 0.000 2.408 363 E HA 0.584 4.934 4.350 0.001 0.000 0.275 363 E C -0.449 176.124 176.600 -0.044 0.000 0.935 363 E CA -0.630 55.747 56.400 -0.039 0.000 0.775 363 E CB 2.517 32.198 29.700 -0.032 0.000 1.277 363 E HN 0.152 nan 8.360 nan 0.000 0.455 364 G N 1.359 110.134 108.800 -0.042 0.000 2.347 364 G HA2 -0.058 3.903 3.960 0.001 0.000 0.341 364 G HA3 -0.058 3.903 3.960 0.001 0.000 0.341 364 G C -1.607 173.264 174.900 -0.048 0.000 1.287 364 G CA -1.107 43.967 45.100 -0.045 0.000 0.984 364 G HN 0.441 nan 8.290 nan 0.000 0.526 365 D N 0.160 120.530 120.400 -0.051 0.000 2.458 365 D HA 0.350 4.990 4.640 0.001 0.000 0.243 365 D C 0.869 177.127 176.300 -0.069 0.000 1.146 365 D CA -0.051 53.917 54.000 -0.054 0.000 0.877 365 D CB 1.377 42.143 40.800 -0.056 0.000 1.176 365 D HN 0.532 nan 8.370 nan 0.000 0.461 366 L N 2.759 123.944 121.223 -0.064 0.000 2.525 366 L HA -0.015 4.325 4.340 0.001 0.000 0.278 366 L C 0.076 176.869 176.870 -0.129 0.000 1.218 366 L CA 0.865 55.658 54.840 -0.079 0.000 0.878 366 L CB 0.170 42.201 42.059 -0.047 0.000 1.127 366 L HN 0.304 nan 8.230 nan 0.000 0.492 367 Q N 3.502 123.181 119.800 -0.201 0.000 2.399 367 Q HA 0.257 4.598 4.340 0.001 0.000 0.276 367 Q C 0.485 176.194 176.000 -0.485 0.000 1.098 367 Q CA -0.536 55.014 55.803 -0.421 0.000 0.827 367 Q CB 1.464 29.904 28.738 -0.497 0.000 1.386 367 Q HN 0.670 nan 8.270 nan 0.000 0.443 368 F N -0.953 118.653 119.950 -0.574 0.000 2.333 368 F HA -0.163 4.365 4.527 0.001 0.000 0.300 368 F C 1.099 176.637 175.800 -0.437 0.000 1.083 368 F CA 0.864 58.468 58.000 -0.661 0.000 1.395 368 F CB -0.666 37.650 39.000 -1.140 0.000 1.056 368 F HN 0.506 nan 8.300 nan 0.000 0.529 369 Y N 1.164 121.134 120.300 -0.550 0.000 2.128 369 Y HA -0.225 4.325 4.550 0.000 0.000 0.284 369 Y C 2.461 178.171 175.900 -0.315 0.000 1.154 369 Y CA 1.666 59.463 58.100 -0.504 0.000 1.149 369 Y CB -1.414 36.708 38.460 -0.564 0.000 0.976 369 Y HN 0.154 nan 8.280 nan 0.000 0.505 370 Q N -0.544 119.196 119.800 -0.099 0.000 2.311 370 Q HA -0.042 4.298 4.340 0.001 0.000 0.203 370 Q C 2.298 178.253 176.000 -0.075 0.000 0.954 370 Q CA 0.902 56.654 55.803 -0.085 0.000 0.885 370 Q CB -0.416 28.273 28.738 -0.081 0.000 0.963 370 Q HN 0.331 nan 8.270 nan 0.000 0.471 371 V N -0.408 119.456 119.914 -0.085 0.000 2.358 371 V HA -0.254 3.867 4.120 0.001 0.000 0.246 371 V C 1.481 177.497 176.094 -0.130 0.000 1.047 371 V CA 1.668 63.915 62.300 -0.088 0.000 1.035 371 V CB -0.582 31.245 31.823 0.008 0.000 0.658 371 V HN 0.396 nan 8.190 nan 0.000 0.452 372 Y N 0.495 120.781 120.300 -0.023 0.000 2.274 372 Y HA -0.208 4.342 4.550 0.001 0.000 0.290 372 Y C 2.711 178.498 175.900 -0.188 0.000 1.145 372 Y CA 1.736 59.775 58.100 -0.102 0.000 1.203 372 Y CB -0.274 38.119 38.460 -0.112 0.000 0.984 372 Y HN 0.314 nan 8.280 nan 0.000 0.533 373 N N 0.578 119.254 118.700 -0.039 0.000 2.084 373 N HA -0.216 4.524 4.740 0.001 0.000 0.190 373 N C 2.007 177.472 175.510 -0.076 0.000 1.030 373 N CA 1.213 54.199 53.050 -0.107 0.000 0.849 373 N CB -0.148 38.283 38.487 -0.093 0.000 1.012 373 N HN 0.354 nan 8.380 nan 0.000 0.423 374 A N 1.499 124.300 122.820 -0.033 0.000 1.902 374 A HA -0.086 4.235 4.320 0.001 0.000 0.217 374 A C 2.290 179.919 177.584 0.075 0.000 1.181 374 A CA 0.916 52.980 52.037 0.044 0.000 0.623 374 A CB -0.602 18.392 19.000 -0.011 0.000 0.818 374 A HN 0.375 nan 8.150 nan 0.000 0.443 375 I N -0.021 120.511 120.570 -0.063 0.000 2.179 375 I HA -0.272 3.898 4.170 0.001 0.000 0.242 375 I C 2.126 178.144 176.117 -0.166 0.000 1.088 375 I CA 1.264 62.435 61.300 -0.214 0.000 1.357 375 I CB -0.535 37.225 38.000 -0.401 0.000 1.051 375 I HN 0.304 nan 8.210 nan 0.000 0.409 376 N N 1.189 119.772 118.700 -0.195 0.000 2.149 376 N HA -0.169 4.572 4.740 0.001 0.000 0.188 376 N C 1.455 176.885 175.510 -0.133 0.000 1.019 376 N CA 1.248 54.148 53.050 -0.251 0.000 0.857 376 N CB -0.556 37.627 38.487 -0.508 0.000 0.997 376 N HN 0.382 nan 8.380 nan 0.000 0.426 377 N N -0.051 118.601 118.700 -0.080 0.000 2.494 377 N HA -0.061 4.680 4.740 0.001 0.000 0.182 377 N C 0.512 175.860 175.510 -0.270 0.000 1.076 377 N CA 0.741 53.712 53.050 -0.132 0.000 0.908 377 N CB 0.020 38.434 38.487 -0.122 0.000 0.967 377 N HN 0.506 nan 8.380 nan 0.000 0.449 378 H N -1.307 117.782 119.070 0.031 0.000 3.241 378 H HA 0.444 5.000 4.556 0.001 0.000 0.260 378 H C 0.281 175.726 175.328 0.196 0.000 1.084 378 H CA -0.153 55.958 56.048 0.103 0.000 1.203 378 H CB 0.566 30.405 29.762 0.127 0.000 1.524 378 H HN 0.044 nan 8.280 nan 0.000 0.521 379 A N 0.759 123.746 122.820 0.278 0.000 2.371 379 A HA 0.196 4.516 4.320 0.001 0.000 0.257 379 A C -0.232 177.487 177.584 0.224 0.000 1.089 379 A CA -0.477 51.772 52.037 0.352 0.000 0.794 379 A CB 0.233 19.316 19.000 0.138 0.000 1.029 379 A HN 0.168 nan 8.150 nan 0.000 0.488 380 D N 0.602 121.143 120.400 0.236 0.000 2.382 380 D HA 0.117 4.757 4.640 0.001 0.000 0.240 380 D C 1.518 177.893 176.300 0.124 0.000 1.146 380 D CA 0.356 54.440 54.000 0.140 0.000 0.897 380 D CB 0.716 41.579 40.800 0.106 0.000 1.197 380 D HN 0.729 nan 8.370 nan 0.000 0.432 381 E N 0.496 120.757 120.200 0.101 0.000 2.265 381 E HA -0.196 4.154 4.350 0.001 0.000 0.196 381 E C 0.311 176.973 176.600 0.102 0.000 0.996 381 E CA 0.914 57.380 56.400 0.110 0.000 0.832 381 E CB -0.008 29.752 29.700 0.100 0.000 0.756 381 E HN 0.378 nan 8.360 nan 0.000 0.491 382 D N 0.951 121.391 120.400 0.067 0.000 2.501 382 D HA 0.204 4.845 4.640 0.001 0.000 0.226 382 D C 0.127 176.419 176.300 -0.014 0.000 1.198 382 D CA -0.317 53.701 54.000 0.030 0.000 0.830 382 D CB 0.104 40.903 40.800 -0.002 0.000 1.014 382 D HN 0.246 nan 8.370 nan 0.000 0.496 383 A N 0.697 123.518 122.820 0.002 0.000 2.520 383 A HA 0.324 4.644 4.320 0.001 0.000 0.235 383 A C 0.320 177.735 177.584 -0.282 0.000 1.065 383 A CA 0.042 52.014 52.037 -0.108 0.000 0.764 383 A CB 0.099 19.037 19.000 -0.103 0.000 1.002 383 A HN 0.410 nan 8.150 nan 0.000 0.502 384 I N 1.314 121.700 120.570 -0.306 0.000 2.377 384 I HA 0.320 4.490 4.170 0.001 0.000 0.293 384 I C -1.133 174.787 176.117 -0.329 0.000 0.987 384 I CA -0.242 60.894 61.300 -0.274 0.000 1.185 384 I CB 1.256 39.045 38.000 -0.351 0.000 1.341 384 I HN 0.617 nan 8.210 nan 0.000 0.455 385 Y N 3.951 124.353 120.300 0.169 0.000 2.328 385 Y HA 0.316 4.867 4.550 0.001 0.000 0.336 385 Y C 0.379 176.344 175.900 0.108 0.000 0.960 385 Y CA -0.581 57.601 58.100 0.138 0.000 1.134 385 Y CB 1.934 40.461 38.460 0.111 0.000 1.166 385 Y HN 0.402 nan 8.280 nan 0.000 0.464 386 S N 5.252 121.084 115.700 0.220 0.000 2.448 386 S HA 0.562 5.032 4.470 0.001 0.000 0.320 386 S C -0.837 173.769 174.600 0.010 0.000 1.071 386 S CA -0.615 57.702 58.200 0.194 0.000 1.113 386 S CB -0.259 63.063 63.200 0.203 0.000 0.972 386 S HN 0.460 nan 8.310 nan 0.000 0.465 387 I N 4.244 124.684 120.570 -0.216 0.000 2.377 387 I HA 0.401 4.572 4.170 0.001 0.000 0.293 387 I C 0.745 176.767 176.117 -0.159 0.000 0.987 387 I CA -0.669 60.475 61.300 -0.260 0.000 1.185 387 I CB 1.367 38.966 38.000 -0.669 0.000 1.341 387 I HN 0.600 nan 8.210 nan 0.000 0.455 388 D N 3.644 124.014 120.400 -0.050 0.000 2.433 388 D HA 0.158 4.798 4.640 0.001 0.000 0.255 388 D C 0.973 177.254 176.300 -0.032 0.000 1.226 388 D CA -0.100 53.885 54.000 -0.025 0.000 1.015 388 D CB 2.336 43.146 40.800 0.017 0.000 1.091 388 D HN 0.360 nan 8.370 nan 0.000 0.527 389 V N -1.196 118.689 119.914 -0.049 0.000 3.633 389 V HA 0.354 4.474 4.120 0.001 0.000 0.283 389 V C 0.920 176.886 176.094 -0.213 0.000 1.305 389 V CA 0.211 62.446 62.300 -0.108 0.000 1.153 389 V CB -0.285 31.460 31.823 -0.129 0.000 0.950 389 V HN 0.370 nan 8.190 nan 0.000 0.432 390 G N 0.587 109.323 108.800 -0.106 0.000 2.651 390 G HA2 0.081 4.042 3.960 0.001 0.000 0.260 390 G HA3 0.081 4.042 3.960 0.001 0.000 0.260 390 G C 0.592 175.435 174.900 -0.094 0.000 1.216 390 G CA 0.263 45.306 45.100 -0.096 0.000 0.913 390 G HN 0.385 nan 8.290 nan 0.000 0.535 391 N N -1.119 117.593 118.700 0.019 0.000 2.084 391 N HA -0.199 4.542 4.740 0.001 0.000 0.190 391 N C 2.410 177.860 175.510 -0.100 0.000 1.030 391 N CA 1.618 54.705 53.050 0.061 0.000 0.849 391 N CB -0.046 38.555 38.487 0.191 0.000 1.012 391 N HN 0.467 nan 8.380 nan 0.000 0.423 392 S N -0.680 114.901 115.700 -0.197 0.000 2.447 392 S HA -0.099 4.371 4.470 0.001 0.000 0.233 392 S C 1.924 176.434 174.600 -0.149 0.000 1.006 392 S CA 1.488 59.366 58.200 -0.536 0.000 0.957 392 S CB -0.562 62.223 63.200 -0.692 0.000 0.773 392 S HN 0.551 nan 8.310 nan 0.000 0.507 393 T N -1.470 113.149 114.554 0.109 0.000 3.010 393 T HA 0.125 4.475 4.350 0.001 0.000 0.252 393 T C 1.874 176.705 174.700 0.218 0.000 1.047 393 T CA 0.227 62.495 62.100 0.280 0.000 1.140 393 T CB -0.346 68.646 68.868 0.207 0.000 0.885 393 T HN 0.145 nan 8.240 nan 0.000 0.464 394 Q N 1.009 120.889 119.800 0.133 0.000 2.224 394 Q HA -0.010 4.331 4.340 0.001 0.000 0.203 394 Q C 2.300 178.381 176.000 0.134 0.000 0.970 394 Q CA 1.308 57.230 55.803 0.199 0.000 0.865 394 Q CB -1.015 27.802 28.738 0.133 0.000 0.922 394 Q HN 0.540 nan 8.270 nan 0.000 0.445 395 T N 0.830 115.402 114.554 0.031 0.000 3.155 395 T HA -0.057 4.294 4.350 0.001 0.000 0.264 395 T C 1.745 176.364 174.700 -0.136 0.000 1.160 395 T CA 0.946 63.029 62.100 -0.027 0.000 1.075 395 T CB -0.079 68.750 68.868 -0.065 0.000 0.921 395 T HN 0.485 nan 8.240 nan 0.000 0.533 396 S N 1.591 117.196 115.700 -0.158 0.000 2.419 396 S HA -0.143 4.327 4.470 0.001 0.000 0.235 396 S C 1.826 176.186 174.600 -0.400 0.000 1.019 396 S CA 1.249 59.147 58.200 -0.503 0.000 0.982 396 S CB -0.833 62.333 63.200 -0.056 0.000 0.789 396 S HN 0.716 nan 8.310 nan 0.000 0.490 397 I N -0.366 119.988 120.570 -0.360 0.000 3.083 397 I HA 0.172 4.343 4.170 0.001 0.000 0.273 397 I C 2.048 177.898 176.117 -0.445 0.000 1.297 397 I CA 0.541 61.406 61.300 -0.725 0.000 1.452 397 I CB -0.618 36.588 38.000 -1.322 0.000 1.078 397 I HN 0.095 nan 8.210 nan 0.000 0.484 398 R N -0.554 119.719 120.500 -0.379 0.000 2.254 398 R HA 0.163 4.503 4.340 0.001 0.000 0.195 398 R C 1.308 177.135 176.300 -0.789 0.000 0.957 398 R CA 0.498 56.273 56.100 -0.542 0.000 1.024 398 R CB -0.104 29.819 30.300 -0.629 0.000 0.952 398 R HN 0.545 nan 8.270 nan 0.000 0.484 399 H N -0.464 118.425 119.070 -0.302 0.000 2.735 399 H HA 0.195 4.752 4.556 0.001 0.000 0.250 399 H C 0.524 175.660 175.328 -0.320 0.000 0.948 399 H CA -0.139 55.727 56.048 -0.305 0.000 1.137 399 H CB 0.402 29.952 29.762 -0.353 0.000 1.440 399 H HN -0.044 nan 8.280 nan 0.000 0.444 400 L N 3.114 124.182 121.223 -0.260 0.000 2.513 400 L HA -0.013 4.328 4.340 0.001 0.000 0.272 400 L C 0.253 177.038 176.870 -0.141 0.000 1.187 400 L CA 0.485 55.145 54.840 -0.299 0.000 0.895 400 L CB 0.224 42.044 42.059 -0.399 0.000 1.147 400 L HN 0.179 nan 8.230 nan 0.000 0.483 401 H N 4.845 123.654 119.070 -0.435 0.000 2.923 401 H HA 0.262 4.818 4.556 0.001 0.000 0.251 401 H C -0.046 175.105 175.328 -0.294 0.000 1.741 401 H CA -0.622 54.944 56.048 -0.804 0.000 1.387 401 H CB 0.135 28.912 29.762 -1.642 0.000 1.740 401 H HN 0.521 nan 8.280 nan 0.000 0.544 402 M N 1.230 120.944 119.600 0.189 0.000 2.371 402 M HA 0.295 4.776 4.480 0.001 0.000 0.301 402 M C 0.643 177.186 176.300 0.405 0.000 1.173 402 M CA -0.305 55.167 55.300 0.286 0.000 1.020 402 M CB 1.658 34.406 32.600 0.247 0.000 1.490 402 M HN 0.428 nan 8.290 nan 0.000 0.485 403 T N -3.117 111.619 114.554 0.304 0.000 2.787 403 T HA 0.426 4.776 4.350 0.001 0.000 0.297 403 T C -2.659 172.134 174.700 0.155 0.000 1.221 403 T CA -1.471 60.772 62.100 0.237 0.000 1.006 403 T CB 1.395 70.398 68.868 0.226 0.000 1.328 403 T HN 0.273 nan 8.240 nan 0.000 0.509 404 P HA 0.051 nan 4.420 nan 0.000 0.226 404 P C 0.903 178.237 177.300 0.056 0.000 1.146 404 P CA 0.822 63.943 63.100 0.035 0.000 0.773 404 P CB -0.027 31.656 31.700 -0.029 0.000 0.772 405 K N -1.189 119.260 120.400 0.081 0.000 2.288 405 K HA -0.017 4.304 4.320 0.001 0.000 0.201 405 K C 0.524 177.170 176.600 0.077 0.000 1.048 405 K CA 0.562 56.890 56.287 0.067 0.000 0.956 405 K CB -0.293 32.253 32.500 0.077 0.000 0.746 405 K HN 0.344 nan 8.250 nan 0.000 0.461 406 N N -0.025 118.759 118.700 0.141 0.000 2.476 406 N HA 0.350 5.091 4.740 0.001 0.000 0.276 406 N C -0.688 174.952 175.510 0.218 0.000 1.204 406 N CA -0.292 52.874 53.050 0.194 0.000 0.974 406 N CB 1.015 39.713 38.487 0.352 0.000 1.204 406 N HN -0.148 nan 8.380 nan 0.000 0.543 407 M N 0.775 120.547 119.600 0.288 0.000 2.326 407 M HA 0.280 4.760 4.480 0.001 0.000 0.292 407 M C -1.875 174.780 176.300 0.592 0.000 1.081 407 M CA -0.472 55.059 55.300 0.386 0.000 0.919 407 M CB 2.418 35.249 32.600 0.385 0.000 1.634 407 M HN 0.621 nan 8.290 nan 0.000 0.451 408 W N 4.961 126.475 121.300 0.356 0.000 2.554 408 W HA 0.568 5.228 4.660 0.000 0.000 0.324 408 W C -1.275 175.383 176.519 0.232 0.000 1.018 408 W CA -0.409 57.148 57.345 0.353 0.000 1.243 408 W CB 1.026 30.640 29.460 0.256 0.000 1.345 408 W HN 0.455 nan 8.180 nan 0.000 0.441 409 R N 3.887 124.410 120.500 0.038 0.000 2.725 409 R HA 0.656 4.996 4.340 0.001 0.000 0.277 409 R C -0.659 175.413 176.300 -0.381 0.000 0.987 409 R CA -0.753 55.232 56.100 -0.191 0.000 0.901 409 R CB 2.038 31.927 30.300 -0.685 0.000 1.207 409 R HN 0.541 nan 8.270 nan 0.000 0.463 410 T N -1.335 113.069 114.554 -0.250 0.000 2.606 410 T HA 0.297 4.647 4.350 0.001 0.000 0.289 410 T C -1.137 173.532 174.700 -0.052 0.000 1.113 410 T CA -0.292 61.687 62.100 -0.200 0.000 1.106 410 T CB 1.268 69.987 68.868 -0.248 0.000 1.611 410 T HN 0.349 nan 8.240 nan 0.000 0.471 411 S N 1.968 117.670 115.700 0.004 0.000 2.426 411 S HA 0.465 4.936 4.470 0.001 0.000 0.236 411 S C -1.755 172.906 174.600 0.101 0.000 1.368 411 S CA -1.577 56.662 58.200 0.066 0.000 1.154 411 S CB 1.152 64.401 63.200 0.081 0.000 1.037 411 S HN 0.522 nan 8.310 nan 0.000 0.481 412 P HA 0.004 nan 4.420 nan 0.000 0.222 412 P C 1.020 178.420 177.300 0.166 0.000 1.153 412 P CA 0.333 63.547 63.100 0.190 0.000 0.798 412 P CB 0.348 32.189 31.700 0.236 0.000 0.796 413 L N -2.324 118.991 121.223 0.152 0.000 2.519 413 L HA 0.316 4.656 4.340 0.001 0.000 0.194 413 L C 2.249 179.223 176.870 0.174 0.000 1.072 413 L CA 0.711 55.629 54.840 0.131 0.000 0.845 413 L CB -1.267 40.862 42.059 0.117 0.000 1.138 413 L HN -0.273 nan 8.230 nan 0.000 0.487 414 F N 1.861 121.847 119.950 0.061 0.000 2.259 414 F HA 0.264 4.792 4.527 0.001 0.000 0.298 414 F C 1.528 177.361 175.800 0.056 0.000 1.088 414 F CA 0.666 58.710 58.000 0.074 0.000 1.358 414 F CB -0.316 38.744 39.000 0.101 0.000 1.040 414 F HN 0.216 nan 8.300 nan 0.000 0.505 415 A N 1.115 123.966 122.820 0.051 0.000 2.667 415 A HA -0.236 4.084 4.320 0.001 0.000 0.298 415 A C 0.709 178.198 177.584 -0.158 0.000 1.483 415 A CA 0.914 52.920 52.037 -0.051 0.000 0.738 415 A CB -2.712 16.252 19.000 -0.060 0.000 1.067 415 A HN 0.491 nan 8.150 nan 0.000 0.451 416 T N 0.746 115.259 114.554 -0.067 0.000 2.851 416 T HA 0.525 4.876 4.350 0.001 0.000 0.298 416 T C 0.674 175.349 174.700 -0.042 0.000 0.977 416 T CA -0.052 62.005 62.100 -0.072 0.000 1.126 416 T CB -0.060 68.908 68.868 0.167 0.000 0.916 416 T HN 0.462 nan 8.240 nan 0.000 0.529 417 M N 3.747 123.305 119.600 -0.069 0.000 2.243 417 M HA 0.367 4.847 4.480 0.001 0.000 0.341 417 M C 1.550 177.826 176.300 -0.040 0.000 1.130 417 M CA 0.884 56.152 55.300 -0.052 0.000 1.162 417 M CB 0.782 33.346 32.600 -0.059 0.000 1.497 417 M HN 1.004 nan 8.290 nan 0.000 0.456 418 G N 1.805 110.590 108.800 -0.024 0.000 2.141 418 G HA2 -0.238 3.723 3.960 0.001 0.000 0.242 418 G HA3 -0.238 3.723 3.960 0.001 0.000 0.242 418 G C 0.378 175.267 174.900 -0.018 0.000 0.982 418 G CA 0.201 45.283 45.100 -0.031 0.000 0.662 418 G HN 0.701 nan 8.290 nan 0.000 0.527 419 I N 0.872 121.439 120.570 -0.005 0.000 2.761 419 I HA 0.395 4.565 4.170 0.001 0.000 0.261 419 I C 2.650 178.775 176.117 0.014 0.000 1.198 419 I CA 2.047 63.347 61.300 0.001 0.000 1.482 419 I CB -0.221 37.779 38.000 0.000 0.000 1.100 419 I HN 0.408 nan 8.210 nan 0.000 0.445 420 A N 0.835 123.669 122.820 0.023 0.000 1.845 420 A HA -0.196 4.124 4.320 0.001 0.000 0.215 420 A C 2.316 179.939 177.584 0.067 0.000 1.195 420 A CA 2.171 54.236 52.037 0.047 0.000 0.616 420 A CB -1.015 18.015 19.000 0.050 0.000 0.832 420 A HN 0.432 nan 8.150 nan 0.000 0.443 421 I N -0.010 120.600 120.570 0.067 0.000 2.163 421 I HA -0.189 3.982 4.170 0.001 0.000 0.243 421 I C -0.599 175.544 176.117 0.043 0.000 1.085 421 I CA 1.558 62.898 61.300 0.066 0.000 1.347 421 I CB -1.118 36.921 38.000 0.065 0.000 1.044 421 I HN 0.234 nan 8.210 nan 0.000 0.408 422 P HA -0.115 nan 4.420 nan 0.000 0.217 422 P C 1.624 178.938 177.300 0.024 0.000 1.150 422 P CA 1.632 64.726 63.100 -0.010 0.000 0.832 422 P CB -0.215 31.459 31.700 -0.044 0.000 0.787 423 G N -0.181 108.669 108.800 0.083 0.000 2.440 423 G HA2 -0.230 3.731 3.960 0.001 0.000 0.218 423 G HA3 -0.230 3.731 3.960 0.001 0.000 0.218 423 G C 1.799 176.821 174.900 0.202 0.000 1.154 423 G CA 0.962 46.202 45.100 0.234 0.000 0.767 423 G HN 0.352 nan 8.290 nan 0.000 0.552 424 G N 0.719 109.573 108.800 0.090 0.000 2.422 424 G HA2 -0.123 3.837 3.960 0.001 0.000 0.218 424 G HA3 -0.123 3.837 3.960 0.001 0.000 0.218 424 G C 1.801 176.704 174.900 0.006 0.000 1.146 424 G CA 0.717 45.824 45.100 0.010 0.000 0.769 424 G HN 0.431 nan 8.290 nan 0.000 0.547 425 L N 0.614 121.861 121.223 0.040 0.000 2.027 425 L HA 0.041 4.382 4.340 0.001 0.000 0.206 425 L C 3.203 180.126 176.870 0.088 0.000 1.074 425 L CA 1.112 55.989 54.840 0.062 0.000 0.745 425 L CB -0.688 41.420 42.059 0.083 0.000 0.898 425 L HN 0.311 nan 8.230 nan 0.000 0.433 426 G N -0.572 108.277 108.800 0.080 0.000 2.418 426 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 426 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 426 G C 1.740 176.712 174.900 0.120 0.000 1.158 426 G CA 0.854 46.027 45.100 0.121 0.000 0.771 426 G HN 0.472 nan 8.290 nan 0.000 0.545 427 A N 0.638 123.477 122.820 0.031 0.000 1.873 427 A HA 0.036 4.356 4.320 0.001 0.000 0.215 427 A C 2.236 179.816 177.584 -0.006 0.000 1.186 427 A CA 2.262 54.216 52.037 -0.138 0.000 0.616 427 A CB -0.370 18.224 19.000 -0.676 0.000 0.823 427 A HN 0.310 nan 8.150 nan 0.000 0.442 428 K N 0.570 120.951 120.400 -0.030 0.000 2.148 428 K HA -0.089 4.232 4.320 0.001 0.000 0.204 428 K C 1.824 178.419 176.600 -0.009 0.000 1.050 428 K CA 1.529 57.810 56.287 -0.010 0.000 0.942 428 K CB -0.460 32.027 32.500 -0.022 0.000 0.724 428 K HN 0.635 nan 8.250 nan 0.000 0.446 429 N N -1.103 117.593 118.700 -0.006 0.000 2.188 429 N HA -0.118 4.622 4.740 0.001 0.000 0.184 429 N C 0.788 176.245 175.510 -0.088 0.000 1.018 429 N CA 1.554 54.585 53.050 -0.031 0.000 0.858 429 N CB 0.159 38.657 38.487 0.019 0.000 0.989 429 N HN 0.180 nan 8.380 nan 0.000 0.426 430 T N -0.779 113.686 114.554 -0.148 0.000 2.937 430 T HA -0.019 4.331 4.350 0.001 0.000 0.260 430 T C -0.157 174.167 174.700 -0.626 0.000 1.051 430 T CA 0.952 62.800 62.100 -0.421 0.000 1.141 430 T CB -0.060 68.455 68.868 -0.589 0.000 0.879 430 T HN 0.242 nan 8.240 nan 0.000 0.459 431 Y N 1.170 121.454 120.300 -0.027 0.000 2.658 431 Y HA 0.313 4.863 4.550 0.001 0.000 0.362 431 Y C -1.914 173.959 175.900 -0.045 0.000 1.017 431 Y CA -2.999 55.080 58.100 -0.034 0.000 1.134 431 Y CB 0.937 39.367 38.460 -0.051 0.000 1.144 431 Y HN 0.035 nan 8.280 nan 0.000 0.655 432 P HA -0.163 nan 4.420 nan 0.000 0.219 432 P C 0.199 177.512 177.300 0.023 0.000 1.146 432 P CA 1.578 64.691 63.100 0.021 0.000 0.808 432 P CB 0.577 32.278 31.700 0.002 0.000 0.779 433 D N -1.130 119.295 120.400 0.043 0.000 2.340 433 D HA 0.085 4.726 4.640 0.001 0.000 0.217 433 D C 0.850 177.161 176.300 0.019 0.000 1.081 433 D CA 0.119 54.135 54.000 0.026 0.000 0.842 433 D CB 0.175 40.994 40.800 0.032 0.000 0.934 433 D HN 0.196 nan 8.370 nan 0.000 0.511 434 R N 0.903 121.418 120.500 0.025 0.000 2.540 434 R HA 0.250 4.591 4.340 0.001 0.000 0.287 434 R C -0.127 176.136 176.300 -0.063 0.000 0.980 434 R CA -0.572 55.518 56.100 -0.016 0.000 0.966 434 R CB 1.333 31.617 30.300 -0.027 0.000 1.106 434 R HN -0.100 nan 8.270 nan 0.000 0.480 435 Q N 2.655 122.408 119.800 -0.079 0.000 2.286 435 Q HA 0.222 4.563 4.340 0.001 0.000 0.267 435 Q C -1.303 174.594 176.000 -0.173 0.000 1.028 435 Q CA -0.185 55.535 55.803 -0.138 0.000 0.901 435 Q CB 0.979 29.676 28.738 -0.068 0.000 1.183 435 Q HN 0.335 nan 8.270 nan 0.000 0.392 436 V N 5.239 124.996 119.914 -0.262 0.000 2.487 436 V HA 0.405 4.525 4.120 0.001 0.000 0.298 436 V C -1.132 174.804 176.094 -0.264 0.000 1.028 436 V CA -0.715 61.457 62.300 -0.213 0.000 0.860 436 V CB 1.065 32.781 31.823 -0.179 0.000 0.991 436 V HN 0.744 nan 8.190 nan 0.000 0.427 437 W N 2.927 124.114 121.300 -0.188 0.000 2.632 437 W HA 0.593 5.253 4.660 0.001 0.000 0.328 437 W C -0.025 176.479 176.519 -0.024 0.000 1.044 437 W CA -0.600 56.698 57.345 -0.080 0.000 1.225 437 W CB 1.207 30.670 29.460 0.005 0.000 1.396 437 W HN 0.351 nan 8.180 nan 0.000 0.499 438 N N 3.418 122.234 118.700 0.193 0.000 2.443 438 N HA 0.447 5.188 4.740 0.001 0.000 0.269 438 N C -1.069 174.490 175.510 0.081 0.000 0.985 438 N CA -0.485 52.635 53.050 0.117 0.000 0.921 438 N CB 1.472 40.001 38.487 0.070 0.000 1.195 438 N HN 0.311 nan 8.380 nan 0.000 0.492 439 I N 3.972 124.585 120.570 0.071 0.000 2.328 439 I HA 0.446 4.616 4.170 0.001 0.000 0.287 439 I C -0.130 175.964 176.117 -0.037 0.000 1.012 439 I CA -0.487 60.800 61.300 -0.021 0.000 1.195 439 I CB 0.636 38.693 38.000 0.095 0.000 1.350 439 I HN 0.233 nan 8.210 nan 0.000 0.464 440 I N 4.542 125.025 120.570 -0.145 0.000 2.730 440 I HA 0.582 4.752 4.170 0.001 0.000 0.298 440 I C 0.490 176.581 176.117 -0.043 0.000 1.089 440 I CA -0.797 60.469 61.300 -0.056 0.000 1.041 440 I CB 2.083 40.072 38.000 -0.017 0.000 1.235 440 I HN 0.505 nan 8.210 nan 0.000 0.423 441 G N 1.521 110.382 108.800 0.101 0.000 2.476 441 G HA2 0.271 4.231 3.960 0.001 0.000 0.286 441 G HA3 0.271 4.231 3.960 0.001 0.000 0.286 441 G C 0.325 175.323 174.900 0.164 0.000 1.177 441 G CA -0.326 44.886 45.100 0.186 0.000 0.870 441 G HN 0.838 nan 8.290 nan 0.000 0.528 442 D N 0.070 120.599 120.400 0.216 0.000 2.149 442 D HA -0.105 4.536 4.640 0.001 0.000 0.198 442 D C 2.160 178.628 176.300 0.281 0.000 0.990 442 D CA 1.504 55.638 54.000 0.223 0.000 0.839 442 D CB -0.513 40.532 40.800 0.408 0.000 0.948 442 D HN 0.478 nan 8.370 nan 0.000 0.460 443 G N 0.482 109.527 108.800 0.408 0.000 2.421 443 G HA2 -0.134 3.826 3.960 0.001 0.000 0.216 443 G HA3 -0.134 3.826 3.960 0.001 0.000 0.216 443 G C 1.777 176.772 174.900 0.159 0.000 1.171 443 G CA 1.294 46.611 45.100 0.362 0.000 0.775 443 G HN 0.496 nan 8.290 nan 0.000 0.543 444 A N 0.174 123.080 122.820 0.144 0.000 1.898 444 A HA 0.104 4.424 4.320 0.001 0.000 0.216 444 A C 2.174 179.824 177.584 0.109 0.000 1.181 444 A CA 1.485 53.571 52.037 0.081 0.000 0.620 444 A CB -0.548 18.494 19.000 0.071 0.000 0.819 444 A HN 0.337 nan 8.150 nan 0.000 0.442 445 F N 1.533 121.469 119.950 -0.023 0.000 2.134 445 F HA -0.140 4.388 4.527 0.000 0.000 0.299 445 F C 2.455 178.299 175.800 0.073 0.000 1.097 445 F CA 1.681 59.662 58.000 -0.032 0.000 1.264 445 F CB -0.433 38.449 39.000 -0.197 0.000 1.001 445 F HN 0.191 nan 8.300 nan 0.000 0.479 446 S N -0.028 115.746 115.700 0.124 0.000 2.469 446 S HA -0.151 4.320 4.470 0.001 0.000 0.238 446 S C 1.850 176.285 174.600 -0.276 0.000 0.998 446 S CA 1.236 59.437 58.200 0.001 0.000 0.957 446 S CB -0.349 62.913 63.200 0.104 0.000 0.764 446 S HN 0.415 nan 8.310 nan 0.000 0.514 447 M N 0.481 119.961 119.600 -0.200 0.000 2.509 447 M HA 0.049 4.530 4.480 0.001 0.000 0.250 447 M C 1.355 177.467 176.300 -0.314 0.000 1.132 447 M CA 0.847 56.003 55.300 -0.240 0.000 1.080 447 M CB 0.065 32.569 32.600 -0.161 0.000 1.408 447 M HN 0.382 nan 8.290 nan 0.000 0.484 448 T N -4.380 109.978 114.554 -0.327 0.000 3.130 448 T HA 0.068 4.418 4.350 0.001 0.000 0.288 448 T C 1.174 175.678 174.700 -0.326 0.000 0.936 448 T CA -0.469 61.456 62.100 -0.290 0.000 0.897 448 T CB -0.707 68.065 68.868 -0.160 0.000 1.178 448 T HN 0.473 nan 8.240 nan 0.000 0.543 449 Y N 1.394 121.343 120.300 -0.585 0.000 2.483 449 Y HA 0.225 4.776 4.550 0.001 0.000 0.291 449 Y C -1.272 174.430 175.900 -0.329 0.000 1.143 449 Y CA 0.036 57.677 58.100 -0.765 0.000 1.289 449 Y CB -1.836 35.738 38.460 -1.476 0.000 0.983 449 Y HN 0.227 nan 8.280 nan 0.000 0.556 450 P HA -0.106 nan 4.420 nan 0.000 0.222 450 P C 0.748 178.054 177.300 0.009 0.000 1.147 450 P CA 1.694 64.785 63.100 -0.016 0.000 0.790 450 P CB 0.065 31.711 31.700 -0.090 0.000 0.780 451 D N -1.241 119.147 120.400 -0.020 0.000 2.336 451 D HA 0.002 4.642 4.640 0.001 0.000 0.229 451 D C 1.571 177.899 176.300 0.047 0.000 1.061 451 D CA 0.284 54.296 54.000 0.020 0.000 0.875 451 D CB 0.249 41.054 40.800 0.009 0.000 0.904 451 D HN 0.002 nan 8.370 nan 0.000 0.525 452 V N 0.495 120.442 119.914 0.056 0.000 2.515 452 V HA -0.171 3.949 4.120 0.001 0.000 0.250 452 V C 2.467 178.605 176.094 0.074 0.000 1.058 452 V CA 0.873 63.226 62.300 0.088 0.000 1.064 452 V CB -0.092 31.807 31.823 0.127 0.000 0.675 452 V HN 0.119 nan 8.190 nan 0.000 0.461 453 V N 0.021 119.973 119.914 0.063 0.000 2.720 453 V HA -0.247 3.874 4.120 0.001 0.000 0.256 453 V C 2.390 178.514 176.094 0.050 0.000 1.082 453 V CA 2.676 65.004 62.300 0.046 0.000 1.101 453 V CB -0.365 31.480 31.823 0.037 0.000 0.693 453 V HN 0.699 nan 8.190 nan 0.000 0.479 454 T N 0.559 115.163 114.554 0.082 0.000 2.821 454 T HA -0.150 4.200 4.350 0.001 0.000 0.267 454 T C 1.593 176.398 174.700 0.175 0.000 1.046 454 T CA 2.013 64.203 62.100 0.150 0.000 1.139 454 T CB -0.414 68.544 68.868 0.150 0.000 0.871 454 T HN 0.607 nan 8.240 nan 0.000 0.454 455 N N 0.548 119.314 118.700 0.110 0.000 2.188 455 N HA -0.051 4.689 4.740 0.001 0.000 0.184 455 N C 1.794 177.340 175.510 0.059 0.000 1.018 455 N CA 0.685 53.788 53.050 0.088 0.000 0.858 455 N CB -0.314 38.207 38.487 0.058 0.000 0.989 455 N HN 0.133 nan 8.380 nan 0.000 0.426 456 V N 0.965 120.900 119.914 0.035 0.000 2.270 456 V HA -0.210 3.910 4.120 0.001 0.000 0.245 456 V C 2.358 178.424 176.094 -0.046 0.000 1.043 456 V CA 1.582 63.878 62.300 -0.007 0.000 1.014 456 V CB -0.522 31.298 31.823 -0.005 0.000 0.645 456 V HN 0.310 nan 8.190 nan 0.000 0.447 457 R N -0.733 119.721 120.500 -0.077 0.000 2.091 457 R HA -0.198 4.142 4.340 0.001 0.000 0.238 457 R C 1.907 178.007 176.300 -0.333 0.000 1.136 457 R CA 2.040 58.002 56.100 -0.230 0.000 0.959 457 R CB -0.240 29.860 30.300 -0.335 0.000 0.856 457 R HN 0.560 nan 8.270 nan 0.000 0.437 458 Y N 1.009 121.288 120.300 -0.034 0.000 2.493 458 Y HA 0.224 4.774 4.550 0.001 0.000 0.275 458 Y C -0.026 175.849 175.900 -0.043 0.000 1.183 458 Y CA -0.342 57.733 58.100 -0.042 0.000 1.258 458 Y CB 0.173 38.602 38.460 -0.052 0.000 1.108 458 Y HN 0.116 nan 8.280 nan 0.000 0.521 459 N N 1.011 119.736 118.700 0.041 0.000 2.688 459 N HA -0.225 4.515 4.740 0.001 0.000 0.258 459 N C -0.724 174.798 175.510 0.020 0.000 1.016 459 N CA 1.033 54.085 53.050 0.003 0.000 0.747 459 N CB -1.221 37.257 38.487 -0.017 0.000 0.895 459 N HN 0.453 nan 8.380 nan 0.000 0.543 460 M N 0.025 119.645 119.600 0.034 0.000 2.634 460 M HA 0.223 4.704 4.480 0.001 0.000 0.211 460 M C -2.535 173.762 176.300 -0.004 0.000 1.019 460 M CA -1.375 53.936 55.300 0.018 0.000 0.834 460 M CB 1.445 34.068 32.600 0.039 0.000 1.376 460 M HN -0.245 nan 8.290 nan 0.000 0.465 461 P HA 0.045 nan 4.420 nan 0.000 0.262 461 P C -0.682 176.569 177.300 -0.081 0.000 1.199 461 P CA -0.043 63.030 63.100 -0.044 0.000 0.763 461 P CB 0.394 32.065 31.700 -0.048 0.000 0.790 462 V N 1.813 121.677 119.914 -0.084 0.000 3.102 462 V HA 0.586 4.707 4.120 0.001 0.000 0.312 462 V C -0.544 175.444 176.094 -0.176 0.000 1.135 462 V CA -1.132 61.083 62.300 -0.140 0.000 1.022 462 V CB 2.361 34.137 31.823 -0.079 0.000 1.056 462 V HN 0.198 nan 8.190 nan 0.000 0.436 463 I N 3.014 123.405 120.570 -0.297 0.000 2.330 463 I HA 0.398 4.568 4.170 0.001 0.000 0.286 463 I C -0.311 175.728 176.117 -0.129 0.000 1.025 463 I CA -0.304 60.804 61.300 -0.319 0.000 1.197 463 I CB 0.882 38.420 38.000 -0.770 0.000 1.358 463 I HN 0.633 nan 8.210 nan 0.000 0.467 464 N N 6.540 125.193 118.700 -0.079 0.000 2.414 464 N HA 0.242 4.982 4.740 0.001 0.000 0.256 464 N C -0.691 174.722 175.510 -0.162 0.000 1.029 464 N CA -0.237 52.766 53.050 -0.079 0.000 0.948 464 N CB 2.422 40.880 38.487 -0.050 0.000 1.102 464 N HN 0.219 nan 8.380 nan 0.000 0.496 465 V N 3.306 123.109 119.914 -0.186 0.000 2.328 465 V HA 0.243 4.364 4.120 0.001 0.000 0.278 465 V C 0.237 175.983 176.094 -0.581 0.000 1.021 465 V CA -0.687 61.412 62.300 -0.334 0.000 0.838 465 V CB 1.399 33.047 31.823 -0.291 0.000 0.999 465 V HN 0.270 nan 8.190 nan 0.000 0.447 466 V N 5.847 125.399 119.914 -0.605 0.000 2.398 466 V HA 0.468 4.589 4.120 0.001 0.000 0.286 466 V C -0.349 175.481 176.094 -0.439 0.000 1.026 466 V CA -0.477 61.437 62.300 -0.643 0.000 0.868 466 V CB 1.503 32.797 31.823 -0.883 0.000 0.982 466 V HN 0.671 nan 8.190 nan 0.000 0.443 467 F N 3.523 123.387 119.950 -0.142 0.000 2.371 467 F HA 0.402 4.929 4.527 0.001 0.000 0.363 467 F C 0.808 176.621 175.800 0.021 0.000 1.122 467 F CA -0.400 57.565 58.000 -0.059 0.000 1.129 467 F CB 1.394 40.362 39.000 -0.053 0.000 1.173 467 F HN 0.519 nan 8.300 nan 0.000 0.489 468 S N 2.464 118.316 115.700 0.253 0.000 2.474 468 S HA 0.285 4.756 4.470 0.001 0.000 0.321 468 S C 0.084 174.785 174.600 0.168 0.000 1.080 468 S CA -0.848 57.519 58.200 0.278 0.000 1.106 468 S CB 0.846 64.256 63.200 0.351 0.000 0.984 468 S HN 0.722 nan 8.310 nan 0.000 0.464 469 N N 1.779 120.537 118.700 0.097 0.000 2.197 469 N HA 0.045 4.786 4.740 0.001 0.000 0.228 469 N C 0.046 175.404 175.510 -0.253 0.000 1.212 469 N CA 0.055 53.075 53.050 -0.051 0.000 0.883 469 N CB -0.068 38.390 38.487 -0.049 0.000 1.107 469 N HN 0.641 nan 8.380 nan 0.000 0.519 470 T N -0.479 113.823 114.554 -0.420 0.000 8.089 470 T HA -0.213 4.138 4.350 0.001 0.000 0.315 470 T C -0.064 173.764 174.700 -1.454 0.000 2.025 470 T CA 1.933 63.333 62.100 -1.166 0.000 3.021 470 T CB -1.060 67.473 68.868 -0.559 0.000 2.356 470 T HN 0.638 nan 8.240 nan 0.000 1.220 471 E N -1.330 118.338 120.200 -0.886 0.000 2.437 471 E HA 0.608 4.959 4.350 0.001 0.000 0.253 471 E C -1.497 174.732 176.600 -0.619 0.000 0.905 471 E CA -0.961 55.019 56.400 -0.700 0.000 0.871 471 E CB 1.143 30.622 29.700 -0.369 0.000 1.649 471 E HN 0.177 nan 8.360 nan 0.000 0.422 472 Y N 0.087 120.375 120.300 -0.021 0.000 2.594 472 Y HA 0.362 4.913 4.550 0.001 0.000 0.338 472 Y C 0.577 176.480 175.900 0.006 0.000 1.019 472 Y CA -0.510 57.623 58.100 0.055 0.000 1.306 472 Y CB 1.155 39.669 38.460 0.091 0.000 1.094 472 Y HN 0.703 nan 8.280 nan 0.000 0.534 473 A N 2.730 125.634 122.820 0.140 0.000 1.884 473 A HA -0.277 4.043 4.320 0.001 0.000 0.219 473 A C 1.986 179.652 177.584 0.136 0.000 1.197 473 A CA 2.116 54.203 52.037 0.082 0.000 0.637 473 A CB -0.807 18.227 19.000 0.055 0.000 0.827 473 A HN 0.732 nan 8.150 nan 0.000 0.450 474 F N 0.906 120.889 119.950 0.056 0.000 2.065 474 F HA -0.224 4.304 4.527 0.002 0.000 0.298 474 F C 1.995 177.842 175.800 0.078 0.000 1.112 474 F CA 1.903 59.941 58.000 0.062 0.000 1.212 474 F CB -0.221 38.822 39.000 0.071 0.000 0.975 474 F HN 0.183 nan 8.300 nan 0.000 0.476 475 I N 0.425 121.043 120.570 0.079 0.000 2.614 475 I HA -0.223 3.947 4.170 0.001 0.000 0.258 475 I C 2.137 178.198 176.117 -0.094 0.000 1.189 475 I CA 1.202 62.486 61.300 -0.028 0.000 1.462 475 I CB -1.529 36.494 38.000 0.039 0.000 1.092 475 I HN 0.246 nan 8.210 nan 0.000 0.442 476 K N 1.120 121.453 120.400 -0.111 0.000 2.525 476 K HA -0.029 4.291 4.320 0.001 0.000 0.192 476 K C 1.155 177.678 176.600 -0.130 0.000 1.029 476 K CA 0.367 56.508 56.287 -0.243 0.000 1.029 476 K CB 0.199 32.531 32.500 -0.281 0.000 0.814 476 K HN 0.310 nan 8.250 nan 0.000 0.503 477 N N 0.213 118.879 118.700 -0.057 0.000 2.348 477 N HA 0.006 4.747 4.740 0.001 0.000 0.183 477 N C 0.224 175.750 175.510 0.027 0.000 1.094 477 N CA 0.410 53.447 53.050 -0.021 0.000 0.885 477 N CB 0.541 38.986 38.487 -0.071 0.000 1.065 477 N HN 0.096 nan 8.380 nan 0.000 0.472 478 K N 0.125 120.558 120.400 0.056 0.000 2.500 478 K HA 0.157 4.477 4.320 0.001 0.000 0.206 478 K C -0.179 176.571 176.600 0.250 0.000 1.034 478 K CA 0.003 56.351 56.287 0.101 0.000 1.179 478 K CB 0.295 32.796 32.500 0.001 0.000 0.884 478 K HN 0.099 nan 8.250 nan 0.000 0.493 479 Y N -0.082 120.279 120.300 0.102 0.000 2.588 479 Y HA 0.173 4.725 4.550 0.003 0.000 0.247 479 Y C 0.566 176.643 175.900 0.295 0.000 1.157 479 Y CA -0.349 57.885 58.100 0.225 0.000 1.215 479 Y CB 0.909 39.610 38.460 0.400 0.000 1.245 479 Y HN 0.058 nan 8.280 nan 0.000 0.534 480 E N -0.140 120.259 120.200 0.331 0.000 3.254 480 E HA 0.151 4.502 4.350 0.001 0.000 0.184 480 E C -0.378 176.322 176.600 0.167 0.000 0.967 480 E CA 0.221 56.785 56.400 0.272 0.000 1.311 480 E CB 0.447 30.346 29.700 0.331 0.000 1.071 480 E HN 0.246 nan 8.360 nan 0.000 0.456 481 D N -1.101 119.373 120.400 0.123 0.000 2.368 481 D HA -0.000 4.640 4.640 0.001 0.000 0.305 481 D C 1.134 177.472 176.300 0.063 0.000 1.143 481 D CA 0.856 54.912 54.000 0.094 0.000 0.847 481 D CB 1.246 42.101 40.800 0.092 0.000 1.357 481 D HN 0.293 nan 8.370 nan 0.000 0.526 482 T N -2.943 111.634 114.554 0.038 0.000 3.074 482 T HA 0.164 4.514 4.350 0.001 0.000 0.258 482 T C 0.675 175.361 174.700 -0.025 0.000 0.891 482 T CA -0.162 61.942 62.100 0.006 0.000 0.867 482 T CB 0.742 69.604 68.868 -0.009 0.000 1.261 482 T HN -0.195 nan 8.240 nan 0.000 0.537 483 N N 1.181 119.856 118.700 -0.042 0.000 2.495 483 N HA 0.639 5.380 4.740 0.001 0.000 0.294 483 N C 0.698 176.192 175.510 -0.027 0.000 1.276 483 N CA -0.610 52.395 53.050 -0.075 0.000 0.973 483 N CB 0.782 39.170 38.487 -0.165 0.000 1.143 483 N HN 0.175 nan 8.380 nan 0.000 0.589 484 K N -1.269 119.108 120.400 -0.038 0.000 2.782 484 K HA 0.230 4.551 4.320 0.001 0.000 0.193 484 K C -0.440 176.126 176.600 -0.056 0.000 1.592 484 K CA -0.284 55.984 56.287 -0.032 0.000 1.247 484 K CB 0.265 32.751 32.500 -0.023 0.000 1.691 484 K HN 0.313 nan 8.250 nan 0.000 0.605 485 N N 1.899 120.567 118.700 -0.053 0.000 2.317 485 N HA 0.054 4.794 4.740 0.001 0.000 0.245 485 N C 0.028 175.467 175.510 -0.117 0.000 1.294 485 N CA -0.235 52.780 53.050 -0.059 0.000 0.924 485 N CB 0.425 38.901 38.487 -0.019 0.000 1.186 485 N HN -0.066 nan 8.380 nan 0.000 0.495 486 L N 0.389 121.534 121.223 -0.130 0.000 2.473 486 L HA 0.108 4.449 4.340 0.001 0.000 0.265 486 L C 0.314 177.114 176.870 -0.117 0.000 1.243 486 L CA 0.402 55.093 54.840 -0.249 0.000 0.822 486 L CB -0.038 41.949 42.059 -0.119 0.000 1.101 486 L HN 0.334 nan 8.230 nan 0.000 0.507 487 F N 0.613 120.636 119.950 0.122 0.000 2.242 487 F HA 0.511 5.039 4.527 0.000 0.000 0.179 487 F C 1.373 177.199 175.800 0.044 0.000 0.642 487 F CA 0.001 58.051 58.000 0.085 0.000 1.073 487 F CB -0.998 37.989 39.000 -0.021 0.000 2.263 487 F HN 0.494 nan 8.300 nan 0.000 0.702 488 G N -0.686 108.245 108.800 0.219 0.000 2.565 488 G HA2 0.274 4.234 3.960 0.001 0.000 0.229 488 G HA3 0.274 4.234 3.960 0.001 0.000 0.229 488 G C -0.912 174.032 174.900 0.073 0.000 1.242 488 G CA -0.218 44.955 45.100 0.121 0.000 1.055 488 G HN 1.169 nan 8.290 nan 0.000 0.604 489 V N -2.618 117.312 119.914 0.027 0.000 2.872 489 V HA 0.486 4.606 4.120 0.001 0.000 0.367 489 V C -0.389 175.647 176.094 -0.097 0.000 1.343 489 V CA -0.678 61.660 62.300 0.064 0.000 1.219 489 V CB 0.358 32.240 31.823 0.098 0.000 1.308 489 V HN 0.155 nan 8.190 nan 0.000 0.610 490 D N 2.434 122.774 120.400 -0.100 0.000 2.256 490 D HA 0.678 5.318 4.640 0.001 0.000 0.240 490 D C -0.179 176.042 176.300 -0.131 0.000 1.062 490 D CA -0.133 53.712 54.000 -0.260 0.000 0.832 490 D CB 1.646 42.343 40.800 -0.172 0.000 1.135 490 D HN 0.442 nan 8.370 nan 0.000 0.484 491 F N -0.831 119.086 119.950 -0.054 0.000 2.747 491 F HA 0.686 5.214 4.527 0.000 0.000 0.376 491 F C 0.765 176.560 175.800 -0.007 0.000 1.256 491 F CA -0.877 57.120 58.000 -0.005 0.000 1.121 491 F CB -0.497 38.516 39.000 0.022 0.000 1.654 491 F HN 0.079 nan 8.300 nan 0.000 0.491 492 T N -0.689 114.173 114.554 0.514 0.000 2.900 492 T HA 0.240 4.591 4.350 0.001 0.000 0.326 492 T C -1.050 173.839 174.700 0.315 0.000 1.145 492 T CA 0.076 62.342 62.100 0.277 0.000 0.963 492 T CB 0.139 69.101 68.868 0.157 0.000 1.512 492 T HN 0.633 nan 8.240 nan 0.000 0.552 493 D N 0.829 121.309 120.400 0.134 0.000 2.412 493 D HA 0.360 5.000 4.640 0.001 0.000 0.276 493 D C -0.931 175.330 176.300 -0.066 0.000 1.196 493 D CA -0.371 53.667 54.000 0.065 0.000 0.905 493 D CB 0.016 40.828 40.800 0.020 0.000 1.081 493 D HN 0.145 nan 8.370 nan 0.000 0.502 494 V N 2.459 122.264 119.914 -0.182 0.000 2.572 494 V HA 0.098 4.218 4.120 0.001 0.000 0.291 494 V C 0.711 176.432 176.094 -0.621 0.000 1.039 494 V CA -0.295 61.763 62.300 -0.404 0.000 1.055 494 V CB 1.255 32.767 31.823 -0.518 0.000 0.969 494 V HN 0.484 nan 8.190 nan 0.000 0.482 495 D N 3.905 124.076 120.400 -0.381 0.000 2.470 495 D HA 0.100 4.740 4.640 0.001 0.000 0.226 495 D C 0.749 176.889 176.300 -0.266 0.000 1.196 495 D CA 0.078 53.915 54.000 -0.272 0.000 0.979 495 D CB 0.173 40.890 40.800 -0.139 0.000 1.059 495 D HN 0.579 nan 8.370 nan 0.000 0.515 496 Y N 1.708 121.984 120.300 -0.041 0.000 2.333 496 Y HA -0.172 4.378 4.550 0.001 0.000 0.290 496 Y C 2.447 178.322 175.900 -0.042 0.000 1.144 496 Y CA 0.779 58.849 58.100 -0.049 0.000 1.228 496 Y CB 0.024 38.482 38.460 -0.003 0.000 0.985 496 Y HN 0.490 nan 8.280 nan 0.000 0.542 497 A N 0.493 123.358 122.820 0.076 0.000 1.898 497 A HA -0.225 4.096 4.320 0.001 0.000 0.216 497 A C 2.175 179.748 177.584 -0.018 0.000 1.181 497 A CA 1.833 53.882 52.037 0.020 0.000 0.620 497 A CB -0.554 18.440 19.000 -0.011 0.000 0.819 497 A HN 0.420 nan 8.150 nan 0.000 0.442 498 K N -0.258 120.121 120.400 -0.035 0.000 2.097 498 K HA -0.048 4.273 4.320 0.001 0.000 0.205 498 K C 1.779 178.361 176.600 -0.030 0.000 1.050 498 K CA 1.399 57.660 56.287 -0.044 0.000 0.938 498 K CB -0.294 32.174 32.500 -0.054 0.000 0.718 498 K HN 0.502 nan 8.250 nan 0.000 0.442 499 I N 0.990 121.542 120.570 -0.030 0.000 2.226 499 I HA -0.255 3.915 4.170 0.001 0.000 0.245 499 I C 2.489 178.612 176.117 0.010 0.000 1.100 499 I CA 1.128 62.412 61.300 -0.027 0.000 1.374 499 I CB -0.413 37.521 38.000 -0.110 0.000 1.057 499 I HN 0.264 nan 8.210 nan 0.000 0.413 500 A N 0.523 123.364 122.820 0.036 0.000 1.883 500 A HA -0.220 4.100 4.320 0.001 0.000 0.217 500 A C 2.235 179.833 177.584 0.022 0.000 1.186 500 A CA 1.611 53.681 52.037 0.055 0.000 0.624 500 A CB -0.494 18.548 19.000 0.071 0.000 0.822 500 A HN 0.360 nan 8.150 nan 0.000 0.444 501 E N -0.140 120.055 120.200 -0.008 0.000 2.118 501 E HA -0.163 4.187 4.350 0.001 0.000 0.195 501 E C 2.259 178.855 176.600 -0.007 0.000 0.992 501 E CA 1.248 57.635 56.400 -0.023 0.000 0.804 501 E CB -0.553 29.117 29.700 -0.050 0.000 0.741 501 E HN 0.600 nan 8.360 nan 0.000 0.458 502 A N 0.919 123.738 122.820 -0.002 0.000 2.067 502 A HA -0.172 4.148 4.320 0.001 0.000 0.219 502 A C 1.864 179.458 177.584 0.016 0.000 1.158 502 A CA 1.075 53.115 52.037 0.006 0.000 0.661 502 A CB -0.253 18.752 19.000 0.009 0.000 0.801 502 A HN 0.201 nan 8.150 nan 0.000 0.452 503 Q N -1.840 117.975 119.800 0.025 0.000 2.319 503 Q HA 0.315 4.655 4.340 0.001 0.000 0.202 503 Q C 1.019 177.034 176.000 0.024 0.000 0.896 503 Q CA 0.339 56.161 55.803 0.032 0.000 0.942 503 Q CB 0.407 29.176 28.738 0.052 0.000 1.083 503 Q HN 0.805 nan 8.270 nan 0.000 0.510 504 G N 0.330 109.142 108.800 0.020 0.000 2.157 504 G HA2 -0.251 3.710 3.960 0.001 0.000 0.239 504 G HA3 -0.251 3.710 3.960 0.001 0.000 0.239 504 G C 0.178 175.104 174.900 0.042 0.000 0.982 504 G CA -0.012 45.100 45.100 0.020 0.000 0.650 504 G HN 0.501 nan 8.290 nan 0.000 0.527 505 A N -0.658 122.190 122.820 0.048 0.000 2.248 505 A HA 0.884 5.204 4.320 0.001 0.000 0.316 505 A C 0.211 177.824 177.584 0.048 0.000 1.101 505 A CA 0.113 52.192 52.037 0.070 0.000 0.875 505 A CB 1.017 20.060 19.000 0.072 0.000 1.207 505 A HN 0.787 nan 8.150 nan 0.000 0.504 506 K N 0.114 120.545 120.400 0.051 0.000 2.240 506 K HA 0.550 4.870 4.320 0.001 0.000 0.271 506 K C -0.065 176.478 176.600 -0.094 0.000 1.018 506 K CA 0.254 56.501 56.287 -0.066 0.000 0.874 506 K CB 0.827 33.290 32.500 -0.061 0.000 1.098 506 K HN 0.840 nan 8.250 nan 0.000 0.458 507 G N 3.374 112.032 108.800 -0.236 0.000 2.388 507 G HA2 0.667 4.627 3.960 0.001 0.000 0.330 507 G HA3 0.667 4.627 3.960 0.001 0.000 0.330 507 G C -1.357 173.290 174.900 -0.422 0.000 1.142 507 G CA -0.511 44.486 45.100 -0.171 0.000 0.908 507 G HN 0.436 nan 8.290 nan 0.000 0.473 508 F N -0.279 119.644 119.950 -0.046 0.000 2.576 508 F HA 0.630 5.158 4.527 0.001 0.000 0.313 508 F C 0.333 176.108 175.800 -0.042 0.000 1.078 508 F CA -0.671 57.300 58.000 -0.050 0.000 0.921 508 F CB 3.047 42.009 39.000 -0.063 0.000 1.232 508 F HN 0.322 nan 8.300 nan 0.000 0.459 509 T N 2.079 116.719 114.554 0.143 0.000 2.881 509 T HA 0.641 4.991 4.350 0.001 0.000 0.290 509 T C -1.549 173.189 174.700 0.065 0.000 1.000 509 T CA -0.690 61.455 62.100 0.074 0.000 0.978 509 T CB 1.818 70.704 68.868 0.030 0.000 0.997 509 T HN 0.532 nan 8.240 nan 0.000 0.443 510 V N 2.721 122.660 119.914 0.041 0.000 2.851 510 V HA 0.736 4.856 4.120 0.001 0.000 0.307 510 V C -0.105 175.996 176.094 0.011 0.000 1.129 510 V CA -0.244 62.068 62.300 0.020 0.000 0.932 510 V CB 2.361 34.187 31.823 0.004 0.000 1.024 510 V HN 1.017 nan 8.190 nan 0.000 0.426 511 S N 4.841 120.541 115.700 0.001 0.000 2.820 511 S HA 0.479 4.949 4.470 0.001 0.000 0.265 511 S C 0.195 174.783 174.600 -0.020 0.000 1.043 511 S CA -0.545 57.651 58.200 -0.006 0.000 1.245 511 S CB 0.230 63.427 63.200 -0.005 0.000 1.187 511 S HN 0.724 nan 8.310 nan 0.000 0.673 512 R N 0.390 120.878 120.500 -0.021 0.000 2.599 512 R HA 0.598 4.938 4.340 0.001 0.000 0.295 512 R C 0.456 176.736 176.300 -0.033 0.000 0.963 512 R CA -0.671 55.412 56.100 -0.028 0.000 0.883 512 R CB 1.296 31.582 30.300 -0.023 0.000 1.171 512 R HN 0.060 nan 8.270 nan 0.000 0.450 513 I N 2.162 122.708 120.570 -0.041 0.000 2.264 513 I HA -0.302 3.868 4.170 0.001 0.000 0.248 513 I C 2.210 178.305 176.117 -0.036 0.000 1.111 513 I CA 1.408 62.681 61.300 -0.045 0.000 1.382 513 I CB -0.150 37.818 38.000 -0.053 0.000 1.060 513 I HN 0.710 nan 8.210 nan 0.000 0.418 514 E N 0.426 120.608 120.200 -0.031 0.000 2.478 514 E HA -0.192 4.158 4.350 0.001 0.000 0.198 514 E C 0.551 177.139 176.600 -0.020 0.000 1.046 514 E CA 0.999 57.385 56.400 -0.024 0.000 0.870 514 E CB -0.273 29.415 29.700 -0.021 0.000 0.818 514 E HN 0.531 nan 8.360 nan 0.000 0.527 515 D N 0.013 120.399 120.400 -0.022 0.000 2.417 515 D HA 0.059 4.700 4.640 0.001 0.000 0.207 515 D C 1.620 177.900 176.300 -0.033 0.000 1.075 515 D CA 0.006 53.994 54.000 -0.020 0.000 0.851 515 D CB 0.050 40.842 40.800 -0.013 0.000 0.976 515 D HN 0.093 nan 8.370 nan 0.000 0.505 516 M N 1.417 120.994 119.600 -0.039 0.000 2.080 516 M HA -0.177 4.303 4.480 0.001 0.000 0.260 516 M C 1.502 177.757 176.300 -0.075 0.000 1.068 516 M CA 1.649 56.915 55.300 -0.056 0.000 1.109 516 M CB -0.333 32.237 32.600 -0.050 0.000 1.342 516 M HN -0.137 nan 8.290 nan 0.000 0.405 517 D N -0.971 119.405 120.400 -0.040 0.000 2.097 517 D HA -0.213 4.427 4.640 0.001 0.000 0.195 517 D C 2.174 178.420 176.300 -0.089 0.000 0.989 517 D CA 1.614 55.605 54.000 -0.016 0.000 0.827 517 D CB -0.157 40.681 40.800 0.063 0.000 0.966 517 D HN 0.393 nan 8.370 nan 0.000 0.456 518 R N -0.240 120.225 120.500 -0.059 0.000 2.073 518 R HA -0.102 4.238 4.340 0.001 0.000 0.234 518 R C 2.166 178.388 176.300 -0.131 0.000 1.134 518 R CA 1.315 57.376 56.100 -0.065 0.000 0.952 518 R CB -0.303 29.982 30.300 -0.025 0.000 0.850 518 R HN 0.129 nan 8.270 nan 0.000 0.433 519 V N 1.158 120.991 119.914 -0.136 0.000 2.343 519 V HA -0.275 3.845 4.120 0.001 0.000 0.247 519 V C 2.387 178.234 176.094 -0.412 0.000 1.051 519 V CA 1.914 64.087 62.300 -0.212 0.000 1.036 519 V CB -0.451 31.296 31.823 -0.127 0.000 0.654 519 V HN 0.408 nan 8.190 nan 0.000 0.451 520 M N 0.903 120.288 119.600 -0.358 0.000 2.117 520 M HA -0.053 4.427 4.480 0.001 0.000 0.262 520 M C 2.061 178.038 176.300 -0.537 0.000 1.065 520 M CA 2.118 57.165 55.300 -0.423 0.000 1.114 520 M CB -0.842 31.531 32.600 -0.379 0.000 1.361 520 M HN 0.251 nan 8.290 nan 0.000 0.408 521 A N -0.254 122.209 122.820 -0.596 0.000 1.902 521 A HA -0.201 4.120 4.320 0.001 0.000 0.217 521 A C 2.036 179.484 177.584 -0.225 0.000 1.181 521 A CA 2.045 53.852 52.037 -0.382 0.000 0.623 521 A CB -0.905 18.016 19.000 -0.132 0.000 0.818 521 A HN 0.687 nan 8.150 nan 0.000 0.443 522 E N -0.257 119.792 120.200 -0.251 0.000 2.106 522 E HA -0.079 4.272 4.350 0.001 0.000 0.192 522 E C 2.320 178.725 176.600 -0.325 0.000 0.984 522 E CA 0.841 57.132 56.400 -0.181 0.000 0.806 522 E CB -0.292 29.380 29.700 -0.046 0.000 0.750 522 E HN 0.622 nan 8.360 nan 0.000 0.458 523 A N 1.134 123.521 122.820 -0.722 0.000 1.877 523 A HA -0.140 4.180 4.320 0.001 0.000 0.216 523 A C 2.528 179.918 177.584 -0.323 0.000 1.186 523 A CA 1.179 52.776 52.037 -0.734 0.000 0.620 523 A CB -0.674 17.844 19.000 -0.804 0.000 0.822 523 A HN 0.110 nan 8.150 nan 0.000 0.443 524 V N -0.133 119.617 119.914 -0.273 0.000 2.343 524 V HA -0.232 3.889 4.120 0.001 0.000 0.247 524 V C 3.046 179.077 176.094 -0.105 0.000 1.051 524 V CA 1.893 64.084 62.300 -0.182 0.000 1.036 524 V CB -1.228 30.559 31.823 -0.061 0.000 0.654 524 V HN 0.613 nan 8.190 nan 0.000 0.451 525 A N -0.002 122.774 122.820 -0.074 0.000 1.933 525 A HA -0.103 4.217 4.320 0.001 0.000 0.218 525 A C 2.410 179.986 177.584 -0.014 0.000 1.175 525 A CA 2.034 54.055 52.037 -0.027 0.000 0.628 525 A CB -0.707 18.285 19.000 -0.013 0.000 0.814 525 A HN 0.567 nan 8.150 nan 0.000 0.444 526 A N 0.050 122.861 122.820 -0.014 0.000 1.930 526 A HA -0.201 4.120 4.320 0.001 0.000 0.217 526 A C 2.048 179.664 177.584 0.054 0.000 1.175 526 A CA 1.617 53.658 52.037 0.007 0.000 0.627 526 A CB -0.738 18.304 19.000 0.071 0.000 0.815 526 A HN 0.694 nan 8.150 nan 0.000 0.443 527 N N -0.200 118.493 118.700 -0.012 0.000 2.166 527 N HA -0.148 4.592 4.740 0.001 0.000 0.186 527 N C 1.444 176.941 175.510 -0.021 0.000 1.019 527 N CA 1.295 54.321 53.050 -0.040 0.000 0.856 527 N CB -0.123 38.257 38.487 -0.178 0.000 0.993 527 N HN 0.493 nan 8.380 nan 0.000 0.426 528 K N 0.026 120.414 120.400 -0.020 0.000 2.439 528 K HA 0.055 4.376 4.320 0.001 0.000 0.197 528 K C 1.300 177.918 176.600 0.030 0.000 1.041 528 K CA 0.552 56.836 56.287 -0.006 0.000 0.970 528 K CB 0.186 32.682 32.500 -0.006 0.000 0.773 528 K HN 0.165 nan 8.250 nan 0.000 0.479 529 A N 0.372 123.240 122.820 0.079 0.000 2.307 529 A HA 0.284 4.604 4.320 0.001 0.000 0.218 529 A C 1.206 178.884 177.584 0.157 0.000 1.228 529 A CA 0.501 52.619 52.037 0.135 0.000 0.857 529 A CB -0.178 18.928 19.000 0.177 0.000 0.897 529 A HN 0.341 nan 8.150 nan 0.000 0.495 530 G N -0.958 107.889 108.800 0.078 0.000 2.141 530 G HA2 -0.227 3.734 3.960 0.001 0.000 0.242 530 G HA3 -0.227 3.734 3.960 0.001 0.000 0.242 530 G C -0.101 174.739 174.900 -0.101 0.000 0.982 530 G CA 0.386 45.469 45.100 -0.029 0.000 0.662 530 G HN 0.717 nan 8.290 nan 0.000 0.527 531 H N 0.347 119.404 119.070 -0.022 0.000 2.467 531 H HA 0.626 5.182 4.556 0.001 0.000 0.331 531 H C 0.521 175.836 175.328 -0.023 0.000 1.120 531 H CA 0.310 56.350 56.048 -0.014 0.000 1.270 531 H CB 1.249 31.013 29.762 0.003 0.000 1.466 531 H HN 0.097 nan 8.280 nan 0.000 0.504 532 T N 3.014 117.621 114.554 0.089 0.000 2.869 532 T HA 0.408 4.758 4.350 0.001 0.000 0.295 532 T C -0.131 174.617 174.700 0.081 0.000 0.987 532 T CA -0.611 61.517 62.100 0.046 0.000 1.109 532 T CB 0.217 69.108 68.868 0.037 0.000 0.932 532 T HN 0.465 nan 8.240 nan 0.000 0.518 533 V N 1.178 121.120 119.914 0.046 0.000 2.864 533 V HA 0.910 5.031 4.120 0.001 0.000 0.314 533 V C -0.826 175.306 176.094 0.062 0.000 1.073 533 V CA -0.860 61.497 62.300 0.095 0.000 0.956 533 V CB 2.114 34.005 31.823 0.113 0.000 1.023 533 V HN 0.545 nan 8.190 nan 0.000 0.435 534 V N 4.467 124.446 119.914 0.108 0.000 2.482 534 V HA 0.488 4.609 4.120 0.001 0.000 0.295 534 V C -0.360 175.774 176.094 0.066 0.000 1.026 534 V CA -0.215 62.102 62.300 0.029 0.000 0.856 534 V CB 1.481 33.336 31.823 0.053 0.000 1.001 534 V HN 0.820 nan 8.190 nan 0.000 0.424 535 I N 3.741 124.289 120.570 -0.037 0.000 2.306 535 I HA 0.315 4.486 4.170 0.001 0.000 0.288 535 I C -0.206 175.854 176.117 -0.094 0.000 1.036 535 I CA -0.281 61.009 61.300 -0.017 0.000 1.221 535 I CB 1.188 39.125 38.000 -0.105 0.000 1.385 535 I HN 0.497 nan 8.210 nan 0.000 0.472 536 D N 6.777 127.172 120.400 -0.008 0.000 2.393 536 D HA 0.152 4.793 4.640 0.001 0.000 0.232 536 D C -0.700 175.613 176.300 0.021 0.000 1.192 536 D CA -0.236 53.772 54.000 0.012 0.000 0.882 536 D CB 0.562 41.427 40.800 0.108 0.000 1.038 536 D HN 0.409 nan 8.370 nan 0.000 0.499 537 C N 6.152 125.449 119.300 -0.006 0.000 2.256 537 C HA 0.274 4.735 4.460 0.001 0.000 0.333 537 C C 0.438 175.489 174.990 0.102 0.000 1.183 537 C CA -1.133 57.912 59.018 0.045 0.000 1.692 537 C CB -0.413 27.366 27.740 0.066 0.000 2.274 537 C HN 0.293 nan 8.230 nan 0.000 0.509 538 K N 4.893 125.335 120.400 0.070 0.000 2.171 538 K HA 0.292 4.613 4.320 0.001 0.000 0.274 538 K C 0.236 176.858 176.600 0.037 0.000 1.110 538 K CA 0.376 56.700 56.287 0.062 0.000 0.952 538 K CB 0.129 32.650 32.500 0.035 0.000 1.309 538 K HN 0.804 nan 8.250 nan 0.000 0.414 539 I N -1.504 119.096 120.570 0.050 0.000 3.062 539 I HA 0.394 4.564 4.170 0.001 0.000 0.318 539 I C 0.898 176.992 176.117 -0.037 0.000 1.026 539 I CA -0.933 60.365 61.300 -0.004 0.000 1.096 539 I CB 1.050 39.048 38.000 -0.004 0.000 1.348 539 I HN 0.296 nan 8.210 nan 0.000 0.543 540 T N -0.007 114.500 114.554 -0.079 0.000 2.698 540 T HA 0.175 4.525 4.350 0.001 0.000 0.295 540 T C 0.496 175.152 174.700 -0.073 0.000 1.007 540 T CA -0.114 61.936 62.100 -0.084 0.000 0.980 540 T CB 0.709 69.513 68.868 -0.107 0.000 1.036 540 T HN 0.700 nan 8.240 nan 0.000 0.526 541 Q N 0.203 119.959 119.800 -0.075 0.000 2.280 541 Q HA 0.242 4.583 4.340 0.001 0.000 0.202 541 Q C -0.312 175.664 176.000 -0.040 0.000 0.903 541 Q CA -0.006 55.755 55.803 -0.070 0.000 0.948 541 Q CB -0.086 28.595 28.738 -0.094 0.000 1.058 541 Q HN 0.581 nan 8.270 nan 0.000 0.493 542 D N 1.235 121.611 120.400 -0.041 0.000 2.455 542 D HA -0.027 4.614 4.640 0.001 0.000 0.241 542 D C 0.042 176.420 176.300 0.131 0.000 1.138 542 D CA 0.437 54.435 54.000 -0.003 0.000 0.877 542 D CB 0.702 41.452 40.800 -0.084 0.000 1.187 542 D HN 0.117 nan 8.370 nan 0.000 0.451 543 R N 2.723 123.345 120.500 0.205 0.000 2.474 543 R HA 0.390 4.730 4.340 0.001 0.000 0.295 543 R C -2.663 173.895 176.300 0.431 0.000 0.980 543 R CA -1.674 54.599 56.100 0.289 0.000 0.934 543 R CB 1.111 31.553 30.300 0.237 0.000 1.101 543 R HN 0.057 nan 8.270 nan 0.000 0.469 544 P HA -0.007 nan 4.420 nan 0.000 0.268 544 P C -0.139 177.262 177.300 0.169 0.000 1.205 544 P CA -0.052 63.316 63.100 0.447 0.000 0.771 544 P CB 0.427 32.316 31.700 0.316 0.000 0.858 545 I N 5.268 125.887 120.570 0.081 0.000 2.821 545 I HA 0.010 4.180 4.170 0.001 0.000 0.294 545 I C -1.837 174.113 176.117 -0.279 0.000 1.210 545 I CA -1.620 59.391 61.300 -0.482 0.000 1.430 545 I CB 0.543 38.422 38.000 -0.201 0.000 1.356 545 I HN 0.238 nan 8.210 nan 0.000 0.563 546 P HA 0.007 nan 4.420 nan 0.000 0.273 546 P C 0.662 177.941 177.300 -0.035 0.000 1.428 546 P CA -0.171 62.849 63.100 -0.134 0.000 0.995 546 P CB 0.704 32.358 31.700 -0.076 0.000 1.286 547 V N 1.552 121.442 119.914 -0.040 0.000 3.510 547 V HA -0.093 4.027 4.120 0.001 0.000 0.270 547 V C 1.746 177.805 176.094 -0.058 0.000 1.201 547 V CA 1.052 63.326 62.300 -0.044 0.000 1.166 547 V CB -1.119 30.642 31.823 -0.103 0.000 0.825 547 V HN 0.391 nan 8.190 nan 0.000 0.484 548 E N 2.416 122.564 120.200 -0.087 0.000 2.385 548 E HA -0.028 4.322 4.350 0.001 0.000 0.194 548 E C 0.967 177.577 176.600 0.017 0.000 1.013 548 E CA 1.113 57.479 56.400 -0.056 0.000 0.866 548 E CB -0.129 29.434 29.700 -0.228 0.000 0.832 548 E HN 0.756 nan 8.360 nan 0.000 0.500 549 T N -0.394 114.156 114.554 -0.006 0.000 3.418 549 T HA 0.475 4.825 4.350 0.001 0.000 0.315 549 T C -0.129 174.456 174.700 -0.192 0.000 1.447 549 T CA -0.614 61.476 62.100 -0.016 0.000 1.641 549 T CB -0.496 68.385 68.868 0.022 0.000 0.904 549 T HN -0.001 nan 8.240 nan 0.000 0.640 550 L N 2.540 123.649 121.223 -0.190 0.000 2.407 550 L HA 0.339 4.679 4.340 0.001 0.000 0.282 550 L C 0.715 177.128 176.870 -0.762 0.000 1.110 550 L CA -0.200 54.427 54.840 -0.356 0.000 0.863 550 L CB 0.290 42.291 42.059 -0.096 0.000 1.207 550 L HN 0.405 nan 8.230 nan 0.000 0.454 551 K N 5.736 125.202 120.400 -1.556 0.000 2.363 551 K HA 0.288 4.609 4.320 0.001 0.000 0.240 551 K C 0.347 176.508 176.600 -0.732 0.000 1.169 551 K CA -0.054 55.329 56.287 -1.508 0.000 1.131 551 K CB 0.547 32.154 32.500 -1.487 0.000 1.771 551 K HN 0.641 nan 8.250 nan 0.000 0.380 552 L N -0.792 120.235 121.223 -0.325 0.000 2.806 552 L HA 0.138 4.479 4.340 0.001 0.000 0.242 552 L C 0.568 177.442 176.870 0.007 0.000 1.068 552 L CA -0.164 54.628 54.840 -0.080 0.000 0.923 552 L CB 0.466 42.515 42.059 -0.017 0.000 1.364 552 L HN 0.384 nan 8.230 nan 0.000 0.511 553 D N 1.207 121.641 120.400 0.057 0.000 2.343 553 D HA 0.013 4.654 4.640 0.001 0.000 0.255 553 D C 1.087 177.432 176.300 0.076 0.000 1.187 553 D CA 0.202 54.237 54.000 0.059 0.000 0.875 553 D CB 1.609 42.446 40.800 0.062 0.000 1.136 553 D HN 0.111 nan 8.370 nan 0.000 0.469 554 S N 3.187 118.905 115.700 0.030 0.000 2.595 554 S HA -0.090 4.381 4.470 0.001 0.000 0.235 554 S C 1.174 175.778 174.600 0.006 0.000 0.974 554 S CA 0.610 58.826 58.200 0.026 0.000 0.942 554 S CB 0.101 63.304 63.200 0.006 0.000 0.766 554 S HN 0.477 nan 8.310 nan 0.000 0.536 555 K N 0.049 120.441 120.400 -0.012 0.000 2.358 555 K HA 0.398 4.719 4.320 0.001 0.000 0.200 555 K C 0.994 177.550 176.600 -0.073 0.000 1.030 555 K CA 0.034 56.294 56.287 -0.046 0.000 1.097 555 K CB 0.215 32.674 32.500 -0.068 0.000 0.862 555 K HN 0.359 nan 8.250 nan 0.000 0.534 556 L N -0.752 120.437 121.223 -0.057 0.000 2.685 556 L HA 0.239 4.580 4.340 0.001 0.000 0.235 556 L C -0.187 176.381 176.870 -0.503 0.000 1.070 556 L CA 0.072 54.786 54.840 -0.210 0.000 0.888 556 L CB 0.481 42.499 42.059 -0.068 0.000 1.203 556 L HN -0.008 nan 8.230 nan 0.000 0.499 557 Y N -0.804 119.477 120.300 -0.031 0.000 2.609 557 Y HA 0.357 4.908 4.550 0.002 0.000 0.342 557 Y C 0.493 176.383 175.900 -0.017 0.000 1.058 557 Y CA -1.308 56.775 58.100 -0.027 0.000 1.055 557 Y CB 1.534 39.962 38.460 -0.053 0.000 1.292 557 Y HN -0.154 nan 8.280 nan 0.000 0.476 558 S N -0.324 115.468 115.700 0.154 0.000 2.614 558 S HA 0.174 4.645 4.470 0.001 0.000 0.265 558 S C 0.648 175.300 174.600 0.087 0.000 1.303 558 S CA -0.454 57.799 58.200 0.088 0.000 1.000 558 S CB 1.032 64.274 63.200 0.071 0.000 0.935 558 S HN 0.804 nan 8.310 nan 0.000 0.551 559 E N 0.841 121.075 120.200 0.057 0.000 2.058 559 E HA -0.193 4.158 4.350 0.001 0.000 0.194 559 E C 1.311 177.944 176.600 0.056 0.000 0.997 559 E CA 1.625 58.054 56.400 0.049 0.000 0.801 559 E CB -0.234 29.486 29.700 0.034 0.000 0.746 559 E HN 0.677 nan 8.360 nan 0.000 0.450 560 D N 0.747 121.180 120.400 0.055 0.000 2.123 560 D HA -0.165 4.475 4.640 0.001 0.000 0.196 560 D C 1.804 178.148 176.300 0.074 0.000 0.992 560 D CA 1.070 55.105 54.000 0.057 0.000 0.833 560 D CB -0.129 40.702 40.800 0.051 0.000 0.954 560 D HN 0.302 nan 8.370 nan 0.000 0.455 561 E N 0.269 120.523 120.200 0.090 0.000 2.072 561 E HA -0.098 4.253 4.350 0.001 0.000 0.191 561 E C 2.417 179.071 176.600 0.089 0.000 0.985 561 E CA 0.449 56.910 56.400 0.102 0.000 0.801 561 E CB 0.006 29.792 29.700 0.144 0.000 0.750 561 E HN 0.313 nan 8.360 nan 0.000 0.452 562 I N 1.123 121.737 120.570 0.073 0.000 2.315 562 I HA -0.249 3.922 4.170 0.001 0.000 0.248 562 I C 2.286 178.475 176.117 0.119 0.000 1.117 562 I CA 0.806 62.149 61.300 0.072 0.000 1.404 562 I CB -0.187 37.845 38.000 0.053 0.000 1.071 562 I HN -0.015 nan 8.210 nan 0.000 0.419 563 K N 1.164 121.617 120.400 0.088 0.000 2.002 563 K HA -0.101 4.220 4.320 0.001 0.000 0.209 563 K C 2.254 178.901 176.600 0.078 0.000 1.048 563 K CA 1.717 58.047 56.287 0.071 0.000 0.930 563 K CB -0.677 31.852 32.500 0.050 0.000 0.714 563 K HN 0.306 nan 8.250 nan 0.000 0.438 564 A N 0.348 123.220 122.820 0.087 0.000 1.933 564 A HA -0.195 4.126 4.320 0.001 0.000 0.218 564 A C 2.213 179.857 177.584 0.100 0.000 1.175 564 A CA 1.354 53.435 52.037 0.073 0.000 0.628 564 A CB -0.777 18.270 19.000 0.079 0.000 0.814 564 A HN 0.392 nan 8.150 nan 0.000 0.444 565 Y N 0.575 120.895 120.300 0.034 0.000 2.145 565 Y HA -0.206 4.344 4.550 0.001 0.000 0.286 565 Y C 2.358 178.332 175.900 0.124 0.000 1.145 565 Y CA 2.286 60.448 58.100 0.103 0.000 1.148 565 Y CB -0.103 38.388 38.460 0.052 0.000 0.981 565 Y HN 0.233 nan 8.280 nan 0.000 0.507 566 K N -0.357 120.146 120.400 0.172 0.000 2.057 566 K HA -0.227 4.094 4.320 0.001 0.000 0.207 566 K C 1.999 178.600 176.600 0.001 0.000 1.049 566 K CA 1.619 57.948 56.287 0.071 0.000 0.931 566 K CB -0.154 32.397 32.500 0.085 0.000 0.714 566 K HN 0.229 nan 8.250 nan 0.000 0.440 567 E N 1.309 121.502 120.200 -0.011 0.000 2.047 567 E HA -0.174 4.176 4.350 0.001 0.000 0.191 567 E C 1.976 178.503 176.600 -0.121 0.000 0.987 567 E CA 1.313 57.685 56.400 -0.046 0.000 0.799 567 E CB -0.001 29.679 29.700 -0.033 0.000 0.752 567 E HN 0.135 nan 8.360 nan 0.000 0.449 568 R N -1.157 119.207 120.500 -0.225 0.000 2.081 568 R HA -0.146 4.194 4.340 0.001 0.000 0.235 568 R C 1.008 176.962 176.300 -0.577 0.000 1.131 568 R CA 1.548 57.373 56.100 -0.459 0.000 0.960 568 R CB -0.234 29.647 30.300 -0.699 0.000 0.856 568 R HN 0.272 nan 8.270 nan 0.000 0.436 569 Y N 0.870 121.090 120.300 -0.133 0.000 2.571 569 Y HA 0.251 4.801 4.550 0.000 0.000 0.275 569 Y C -0.298 175.614 175.900 0.020 0.000 1.179 569 Y CA -0.218 57.833 58.100 -0.083 0.000 1.242 569 Y CB 0.179 38.503 38.460 -0.226 0.000 1.126 569 Y HN 0.169 nan 8.280 nan 0.000 0.524 570 E N -0.681 119.558 120.200 0.065 0.000 2.440 570 E HA -0.265 4.085 4.350 0.001 0.000 0.246 570 E C 0.620 177.340 176.600 0.199 0.000 1.165 570 E CA 0.435 56.882 56.400 0.079 0.000 0.726 570 E CB -1.287 28.425 29.700 0.021 0.000 1.271 570 E HN 0.496 nan 8.360 nan 0.000 0.397 571 A N -0.229 122.653 122.820 0.103 0.000 2.684 571 A HA 0.608 4.928 4.320 0.001 0.000 0.288 571 A C 1.907 179.488 177.584 -0.005 0.000 1.337 571 A CA 0.505 52.522 52.037 -0.034 0.000 0.946 571 A CB 0.131 18.982 19.000 -0.248 0.000 1.093 571 A HN 0.439 nan 8.150 nan 0.000 0.543 572 A N 1.003 123.843 122.820 0.035 0.000 1.948 572 A HA -0.212 4.108 4.320 0.001 0.000 0.220 572 A C 1.674 179.274 177.584 0.028 0.000 1.177 572 A CA 1.866 53.922 52.037 0.031 0.000 0.636 572 A CB -0.390 18.625 19.000 0.025 0.000 0.815 572 A HN 0.534 nan 8.150 nan 0.000 0.449 573 N N -0.349 118.371 118.700 0.034 0.000 2.398 573 N HA 0.138 4.878 4.740 0.001 0.000 0.188 573 N C 0.007 175.541 175.510 0.040 0.000 1.122 573 N CA 0.118 53.192 53.050 0.039 0.000 0.866 573 N CB -0.146 38.371 38.487 0.051 0.000 0.970 573 N HN 0.454 nan 8.380 nan 0.000 0.462 574 L N 1.222 122.445 121.223 -0.001 0.000 2.416 574 L HA 0.164 4.505 4.340 0.001 0.000 0.272 574 L C -0.050 176.852 176.870 0.052 0.000 1.161 574 L CA -0.165 54.684 54.840 0.014 0.000 0.845 574 L CB 0.945 42.960 42.059 -0.073 0.000 1.119 574 L HN -0.250 nan 8.230 nan 0.000 0.464 575 V N 4.832 124.804 119.914 0.096 0.000 2.448 575 V HA 0.343 4.464 4.120 0.001 0.000 0.295 575 V C -1.992 174.126 176.094 0.041 0.000 1.025 575 V CA -1.752 60.553 62.300 0.008 0.000 0.859 575 V CB 1.758 33.501 31.823 -0.133 0.000 0.988 575 V HN 0.637 nan 8.190 nan 0.000 0.431 576 P HA -0.006 nan 4.420 nan 0.000 0.268 576 P C 0.673 178.043 177.300 0.117 0.000 1.205 576 P CA -0.025 63.116 63.100 0.068 0.000 0.771 576 P CB 0.750 32.466 31.700 0.026 0.000 0.858 577 F N 4.421 124.410 119.950 0.065 0.000 2.192 577 F HA -0.187 4.340 4.527 -0.000 0.000 0.301 577 F C 2.479 178.325 175.800 0.076 0.000 1.079 577 F CA 1.459 59.537 58.000 0.129 0.000 1.303 577 F CB -0.631 38.438 39.000 0.114 0.000 1.024 577 F HN 0.313 nan 8.300 nan 0.000 0.494 578 R N 0.515 120.982 120.500 -0.055 0.000 2.105 578 R HA -0.188 4.152 4.340 0.001 0.000 0.239 578 R C 2.173 178.353 176.300 -0.200 0.000 1.135 578 R CA 1.941 57.925 56.100 -0.193 0.000 0.967 578 R CB -0.352 29.872 30.300 -0.127 0.000 0.861 578 R HN 0.419 nan 8.270 nan 0.000 0.442 579 E N -0.747 119.333 120.200 -0.200 0.000 2.077 579 E HA -0.218 4.132 4.350 0.001 0.000 0.193 579 E C 1.766 178.220 176.600 -0.244 0.000 0.989 579 E CA 1.380 57.627 56.400 -0.255 0.000 0.800 579 E CB -0.138 29.338 29.700 -0.372 0.000 0.746 579 E HN 0.446 nan 8.360 nan 0.000 0.452 580 Y N 0.718 120.975 120.300 -0.072 0.000 2.242 580 Y HA -0.120 4.431 4.550 0.001 0.000 0.291 580 Y C 2.164 177.972 175.900 -0.153 0.000 1.137 580 Y CA 0.633 58.695 58.100 -0.063 0.000 1.181 580 Y CB -0.399 38.091 38.460 0.050 0.000 0.989 580 Y HN 0.011 nan 8.280 nan 0.000 0.527 581 L N -0.273 120.828 121.223 -0.204 0.000 1.994 581 L HA -0.224 4.116 4.340 0.001 0.000 0.208 581 L C 2.235 179.056 176.870 -0.082 0.000 1.071 581 L CA 1.643 56.348 54.840 -0.224 0.000 0.745 581 L CB -0.501 41.329 42.059 -0.382 0.000 0.892 581 L HN 0.228 nan 8.230 nan 0.000 0.431 582 E N -0.008 120.136 120.200 -0.093 0.000 2.153 582 E HA -0.199 4.151 4.350 0.001 0.000 0.194 582 E C 2.203 178.790 176.600 -0.022 0.000 0.988 582 E CA 0.992 57.360 56.400 -0.054 0.000 0.811 582 E CB -0.146 29.512 29.700 -0.070 0.000 0.746 582 E HN 0.494 nan 8.360 nan 0.000 0.466 583 A N 1.378 124.193 122.820 -0.009 0.000 2.019 583 A HA -0.152 4.168 4.320 0.001 0.000 0.219 583 A C 1.627 179.233 177.584 0.038 0.000 1.164 583 A CA 1.080 53.131 52.037 0.023 0.000 0.644 583 A CB -0.009 19.028 19.000 0.062 0.000 0.805 583 A HN 0.023 nan 8.150 nan 0.000 0.449 584 E N -1.209 119.017 120.200 0.042 0.000 2.444 584 E HA 0.261 4.611 4.350 0.001 0.000 0.191 584 E C 1.059 177.687 176.600 0.046 0.000 1.041 584 E CA 0.519 56.951 56.400 0.054 0.000 0.883 584 E CB -0.171 29.574 29.700 0.075 0.000 1.024 584 E HN 0.742 nan 8.360 nan 0.000 0.470 585 G N 1.105 109.921 108.800 0.027 0.000 2.143 585 G HA2 -0.275 3.685 3.960 0.001 0.000 0.249 585 G HA3 -0.275 3.685 3.960 0.001 0.000 0.249 585 G C 0.269 175.182 174.900 0.021 0.000 0.981 585 G CA 0.353 45.466 45.100 0.022 0.000 0.665 585 G HN 0.236 nan 8.290 nan 0.000 0.528 586 L N -0.383 120.853 121.223 0.021 0.000 2.376 586 L HA 0.828 5.169 4.340 0.001 0.000 0.267 586 L C 0.149 177.012 176.870 -0.012 0.000 1.035 586 L CA -1.113 53.740 54.840 0.022 0.000 0.800 586 L CB 1.094 43.190 42.059 0.062 0.000 1.290 586 L HN -0.022 nan 8.230 nan 0.000 0.462 587 E N 0.209 120.402 120.200 -0.011 0.000 2.317 587 E HA 0.239 4.589 4.350 0.001 0.000 0.270 587 E C -1.177 175.406 176.600 -0.029 0.000 0.885 587 E CA -0.528 55.853 56.400 -0.032 0.000 0.760 587 E CB 2.218 31.904 29.700 -0.024 0.000 1.227 587 E HN 0.446 nan 8.360 nan 0.000 0.434 588 S N 0.974 116.637 115.700 -0.063 0.000 2.560 588 S HA -0.022 4.449 4.470 0.001 0.000 0.284 588 S C 1.040 175.638 174.600 -0.003 0.000 1.327 588 S CA 0.020 58.186 58.200 -0.057 0.000 1.055 588 S CB 0.302 63.387 63.200 -0.192 0.000 0.868 588 S HN 0.546 nan 8.310 nan 0.000 0.506 589 K N 3.385 123.848 120.400 0.106 0.000 2.426 589 K HA 0.049 4.369 4.320 0.001 0.000 0.193 589 K C 0.937 177.656 176.600 0.198 0.000 1.028 589 K CA 0.604 56.968 56.287 0.129 0.000 1.047 589 K CB -0.134 32.447 32.500 0.135 0.000 0.821 589 K HN 0.893 nan 8.250 nan 0.000 0.513 590 Y N -1.446 118.878 120.300 0.039 0.000 2.476 590 Y HA 0.439 4.989 4.550 -0.000 0.000 0.274 590 Y C 0.245 176.160 175.900 0.025 0.000 1.120 590 Y CA -0.995 57.126 58.100 0.036 0.000 1.214 590 Y CB 0.439 38.931 38.460 0.053 0.000 1.285 590 Y HN -0.201 nan 8.280 nan 0.000 0.520 591 I N 4.633 124.816 120.570 -0.645 0.000 2.421 591 I HA 0.126 4.296 4.170 0.001 0.000 0.291 591 I C 0.262 176.255 176.117 -0.207 0.000 1.089 591 I CA 0.203 61.215 61.300 -0.479 0.000 1.354 591 I CB 0.350 38.026 38.000 -0.540 0.000 1.413 591 I HN 0.427 nan 8.210 nan 0.000 0.513 592 K N 0.000 120.327 120.400 -0.122 0.000 2.780 592 K HA 0.000 4.320 4.320 0.001 0.000 0.191 592 K CA 0.000 56.244 56.287 -0.072 0.000 0.838 592 K CB 0.000 32.455 32.500 -0.076 0.000 1.064 592 K HN 0.000 nan 8.250 nan 0.000 0.543