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 1e0t_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKKTKIVCTI GPKTESEEML AKMLDAGMNV MRLNFSHGDY AEHGQRIQNL DATA SEQUENCE RNVMSKTGKT AAILLDTKGP EIRTMKLEGG NDVSLKAGQT FTFTTDKSVI DATA SEQUENCE GNSEMVAVTY EGFTTDLSVG NTVLVDDGLI GMEVTAIEGN KVICKVLNNG DATA SEQUENCE DLGENKGVNL PGVSIALPAL AEKDKQDLIF GCEQGVDFVA ASFIRKRSDV DATA SEQUENCE IEIREHLKAH GGENIHIISK IENQEGLNNF DEILEASDGI MVARGDLGVE DATA SEQUENCE IPVEEVIFAQ KMMIEKCIRA RKVVITATMX XXXXXXXXRP TDAEAGDVAN DATA SEQUENCE AILDGTDAVM LSGEXXXXXX PLEAVSIMAT ICERTDRVMN SRLEXXXXXX DATA SEQUENCE XXXITEAVCR GAVETAEKLD APLIVVATQG GKSARAVRKY FPDATILALT DATA SEQUENCE TNEKTAHQLV LSKGVVPQLV KEITSTDDFY RLGKELALQS GLAHKGDVVV DATA SEQUENCE MVSGALVPSG TTNTASVHVL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.319 176.300 0.031 0.000 1.140 1 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1 M CB 0.000 32.618 32.600 0.031 0.000 1.302 2 K N 1.747 122.165 120.400 0.030 0.000 2.107 2 K HA 0.513 4.833 4.320 -0.000 0.000 0.251 2 K C -0.410 176.210 176.600 0.034 0.000 1.012 2 K CA -0.752 55.554 56.287 0.032 0.000 0.920 2 K CB 1.428 33.945 32.500 0.029 0.000 1.033 2 K HN 0.863 nan 8.250 nan 0.000 0.478 3 K N 0.106 120.529 120.400 0.038 0.000 2.435 3 K HA 0.079 4.399 4.320 -0.000 0.000 0.199 3 K C -0.208 176.410 176.600 0.030 0.000 1.153 3 K CA -0.006 56.302 56.287 0.035 0.000 0.974 3 K CB 0.947 33.472 32.500 0.042 0.000 0.997 3 K HN 0.555 nan 8.250 nan 0.000 0.547 4 T N 3.069 117.644 114.554 0.035 0.000 2.851 4 T HA 0.105 4.455 4.350 -0.000 0.000 0.298 4 T C -0.032 174.682 174.700 0.024 0.000 0.977 4 T CA -0.088 62.030 62.100 0.030 0.000 1.126 4 T CB 0.666 69.555 68.868 0.035 0.000 0.916 4 T HN -0.131 nan 8.240 nan 0.000 0.529 5 K N 3.754 124.165 120.400 0.018 0.000 2.339 5 K HA 0.335 4.655 4.320 -0.000 0.000 0.286 5 K C 0.087 176.696 176.600 0.016 0.000 1.050 5 K CA -0.123 56.175 56.287 0.019 0.000 0.956 5 K CB 0.664 33.173 32.500 0.015 0.000 0.990 5 K HN 0.548 nan 8.250 nan 0.000 0.475 6 I N 2.724 123.307 120.570 0.021 0.000 2.359 6 I HA 0.179 4.349 4.170 -0.000 0.000 0.294 6 I C -0.052 176.079 176.117 0.023 0.000 0.987 6 I CA -1.199 60.113 61.300 0.020 0.000 1.225 6 I CB 1.571 39.585 38.000 0.023 0.000 1.366 6 I HN 0.040 nan 8.210 nan 0.000 0.466 7 V N 5.530 125.455 119.914 0.019 0.000 2.370 7 V HA 0.286 4.406 4.120 -0.000 0.000 0.279 7 V C -0.210 175.904 176.094 0.033 0.000 1.029 7 V CA -0.431 61.884 62.300 0.026 0.000 0.870 7 V CB 1.276 33.108 31.823 0.014 0.000 0.984 7 V HN 0.813 nan 8.190 nan 0.000 0.451 8 C N 3.201 122.527 119.300 0.043 0.000 2.382 8 C HA 0.577 5.037 4.460 -0.000 0.000 0.327 8 C C 0.758 175.782 174.990 0.056 0.000 1.250 8 C CA -0.600 58.444 59.018 0.044 0.000 1.707 8 C CB 1.170 28.934 27.740 0.040 0.000 2.272 8 C HN 0.844 nan 8.230 nan 0.000 0.506 9 T N 4.854 119.441 114.554 0.055 0.000 2.728 9 T HA 0.347 4.697 4.350 -0.000 0.000 0.296 9 T C 0.245 174.982 174.700 0.062 0.000 0.940 9 T CA -0.078 62.063 62.100 0.069 0.000 1.013 9 T CB -0.056 68.851 68.868 0.064 0.000 0.912 9 T HN 0.341 nan 8.240 nan 0.000 0.484 10 I N 3.079 123.694 120.570 0.074 0.000 2.532 10 I HA 0.643 4.813 4.170 -0.000 0.000 0.292 10 I C 0.993 177.142 176.117 0.053 0.000 1.014 10 I CA -0.246 61.092 61.300 0.063 0.000 1.340 10 I CB 1.050 39.096 38.000 0.075 0.000 1.422 10 I HN 0.756 nan 8.210 nan 0.000 0.528 11 G N 5.135 113.950 108.800 0.026 0.000 2.870 11 G HA2 0.514 4.474 3.960 -0.000 0.000 0.299 11 G HA3 0.514 4.474 3.960 -0.000 0.000 0.299 11 G C -2.585 172.308 174.900 -0.013 0.000 1.324 11 G CA -0.492 44.608 45.100 -0.000 0.000 0.808 11 G HN 0.276 nan 8.290 nan 0.000 0.535 12 P HA -0.035 nan 4.420 nan 0.000 0.214 12 P C 2.096 179.384 177.300 -0.021 0.000 1.163 12 P CA 3.012 66.092 63.100 -0.035 0.000 0.889 12 P CB 0.084 31.755 31.700 -0.048 0.000 0.790 13 K N -0.600 119.788 120.400 -0.020 0.000 2.574 13 K HA -0.016 4.304 4.320 -0.000 0.000 0.193 13 K C 1.387 177.985 176.600 -0.004 0.000 1.035 13 K CA 1.862 58.142 56.287 -0.012 0.000 0.982 13 K CB -1.627 30.864 32.500 -0.014 0.000 0.795 13 K HN 0.511 nan 8.250 nan 0.000 0.491 14 T N -2.930 111.624 114.554 0.001 0.000 3.192 14 T HA 0.095 4.445 4.350 -0.000 0.000 0.295 14 T C 1.220 175.929 174.700 0.015 0.000 0.947 14 T CA 0.346 62.451 62.100 0.009 0.000 0.916 14 T CB 0.131 69.008 68.868 0.014 0.000 1.169 14 T HN 0.666 nan 8.240 nan 0.000 0.540 15 E N 2.103 122.311 120.200 0.012 0.000 2.371 15 E HA 0.054 4.404 4.350 -0.000 0.000 0.194 15 E C 0.969 177.579 176.600 0.017 0.000 1.012 15 E CA 0.263 56.674 56.400 0.019 0.000 0.860 15 E CB -0.307 29.402 29.700 0.015 0.000 0.811 15 E HN 0.554 nan 8.360 nan 0.000 0.502 16 S N 1.139 116.846 115.700 0.011 0.000 2.559 16 S HA -0.067 4.403 4.470 -0.000 0.000 0.282 16 S C 0.810 175.418 174.600 0.014 0.000 1.336 16 S CA -0.151 58.055 58.200 0.011 0.000 1.037 16 S CB 1.033 64.237 63.200 0.007 0.000 0.853 16 S HN 0.262 nan 8.310 nan 0.000 0.523 17 E N 1.259 121.468 120.200 0.014 0.000 2.204 17 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 17 E C 1.627 178.236 176.600 0.014 0.000 0.989 17 E CA 1.215 57.625 56.400 0.016 0.000 0.824 17 E CB -0.132 29.576 29.700 0.014 0.000 0.756 17 E HN 0.735 nan 8.360 nan 0.000 0.477 18 E N 0.650 120.857 120.200 0.012 0.000 2.051 18 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 18 E C 1.807 178.414 176.600 0.012 0.000 0.991 18 E CA 1.042 57.448 56.400 0.011 0.000 0.799 18 E CB -0.169 29.537 29.700 0.008 0.000 0.748 18 E HN 0.119 nan 8.360 nan 0.000 0.449 19 M N 0.002 119.610 119.600 0.012 0.000 2.077 19 M HA -0.045 4.435 4.480 -0.000 0.000 0.261 19 M C 1.847 178.157 176.300 0.016 0.000 1.070 19 M CA 1.443 56.751 55.300 0.013 0.000 1.125 19 M CB -0.355 32.251 32.600 0.011 0.000 1.339 19 M HN 0.102 nan 8.290 nan 0.000 0.409 20 L N -0.488 120.747 121.223 0.019 0.000 2.013 20 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 20 L C 2.515 179.399 176.870 0.022 0.000 1.073 20 L CA 1.471 56.325 54.840 0.023 0.000 0.753 20 L CB -1.247 40.827 42.059 0.025 0.000 0.890 20 L HN 0.443 nan 8.230 nan 0.000 0.432 21 A N 0.061 122.893 122.820 0.020 0.000 1.917 21 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 21 A C 2.298 179.893 177.584 0.019 0.000 1.182 21 A CA 1.968 54.017 52.037 0.019 0.000 0.633 21 A CB -0.405 18.605 19.000 0.017 0.000 0.819 21 A HN 0.381 nan 8.150 nan 0.000 0.448 22 K N -1.066 119.344 120.400 0.017 0.000 2.155 22 K HA 0.009 4.329 4.320 -0.000 0.000 0.203 22 K C 2.028 178.638 176.600 0.018 0.000 1.052 22 K CA 1.188 57.485 56.287 0.016 0.000 0.948 22 K CB -0.203 32.305 32.500 0.013 0.000 0.728 22 K HN 0.427 nan 8.250 nan 0.000 0.448 23 M N 0.607 120.219 119.600 0.020 0.000 2.156 23 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 23 M C 2.164 178.479 176.300 0.025 0.000 1.067 23 M CA 1.442 56.755 55.300 0.022 0.000 1.131 23 M CB -0.550 32.065 32.600 0.025 0.000 1.368 23 M HN 0.150 nan 8.290 nan 0.000 0.416 24 L N -0.277 120.962 121.223 0.026 0.000 2.141 24 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 24 L C 1.964 178.849 176.870 0.026 0.000 1.094 24 L CA 0.772 55.629 54.840 0.029 0.000 0.763 24 L CB -0.662 41.415 42.059 0.030 0.000 0.908 24 L HN 0.238 nan 8.230 nan 0.000 0.437 25 D N 0.351 120.765 120.400 0.022 0.000 2.144 25 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 25 D C 2.231 178.543 176.300 0.020 0.000 0.978 25 D CA 1.395 55.407 54.000 0.021 0.000 0.833 25 D CB 0.090 40.900 40.800 0.018 0.000 0.961 25 D HN 0.266 nan 8.370 nan 0.000 0.470 26 A N -0.448 122.384 122.820 0.020 0.000 2.067 26 A HA 0.225 4.545 4.320 -0.000 0.000 0.219 26 A C 1.873 179.469 177.584 0.021 0.000 1.158 26 A CA 2.022 54.070 52.037 0.019 0.000 0.661 26 A CB -0.036 18.975 19.000 0.018 0.000 0.801 26 A HN 0.350 nan 8.150 nan 0.000 0.452 27 G N -2.636 106.178 108.800 0.023 0.000 2.977 27 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.211 27 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.211 27 G C 0.318 175.235 174.900 0.028 0.000 0.994 27 G CA 0.017 45.132 45.100 0.025 0.000 0.795 27 G HN 0.435 nan 8.290 nan 0.000 0.518 28 M N 1.281 120.898 119.600 0.030 0.000 2.235 28 M HA 0.204 4.684 4.480 -0.000 0.000 0.336 28 M C 0.895 177.219 176.300 0.040 0.000 1.146 28 M CA 1.463 56.784 55.300 0.034 0.000 1.018 28 M CB 0.134 32.755 32.600 0.035 0.000 1.694 28 M HN 0.305 nan 8.290 nan 0.000 0.451 29 N N 2.045 120.772 118.700 0.045 0.000 2.166 29 N HA 0.219 4.959 4.740 -0.000 0.000 0.222 29 N C -1.348 174.205 175.510 0.070 0.000 1.282 29 N CA -0.422 52.662 53.050 0.056 0.000 0.890 29 N CB 1.220 39.740 38.487 0.054 0.000 1.114 29 N HN 0.366 nan 8.380 nan 0.000 0.494 30 V N 1.322 121.274 119.914 0.064 0.000 2.841 30 V HA 0.382 4.502 4.120 -0.000 0.000 0.310 30 V C -0.949 175.191 176.094 0.077 0.000 1.090 30 V CA -0.720 61.630 62.300 0.083 0.000 0.930 30 V CB 2.488 34.364 31.823 0.088 0.000 1.014 30 V HN 0.128 nan 8.190 nan 0.000 0.425 31 M N 4.242 123.895 119.600 0.089 0.000 2.080 31 M HA 0.519 4.999 4.480 -0.000 0.000 0.350 31 M C -0.193 176.172 176.300 0.109 0.000 1.173 31 M CA -0.418 54.935 55.300 0.089 0.000 1.052 31 M CB 0.613 33.264 32.600 0.084 0.000 1.577 31 M HN 0.759 nan 8.290 nan 0.000 0.455 32 R N 5.494 126.055 120.500 0.103 0.000 2.265 32 R HA 0.550 4.890 4.340 -0.000 0.000 0.319 32 R C -1.795 174.587 176.300 0.137 0.000 1.006 32 R CA -0.450 55.719 56.100 0.114 0.000 0.880 32 R CB 0.781 31.135 30.300 0.090 0.000 1.077 32 R HN 0.797 nan 8.270 nan 0.000 0.454 33 L N 4.566 125.891 121.223 0.170 0.000 2.301 33 L HA 0.290 4.630 4.340 -0.000 0.000 0.278 33 L C -0.228 176.749 176.870 0.178 0.000 1.022 33 L CA -0.861 54.085 54.840 0.176 0.000 0.854 33 L CB 1.337 43.549 42.059 0.254 0.000 1.226 33 L HN 0.597 nan 8.230 nan 0.000 0.429 34 N N 2.783 121.562 118.700 0.131 0.000 2.448 34 N HA 0.072 4.811 4.740 -0.000 0.000 0.250 34 N C 0.554 176.095 175.510 0.052 0.000 1.136 34 N CA -0.087 53.043 53.050 0.133 0.000 0.953 34 N CB 0.370 38.950 38.487 0.155 0.000 1.251 34 N HN 0.313 nan 8.380 nan 0.000 0.502 35 F N 1.122 121.043 119.950 -0.049 0.000 2.664 35 F HA -0.040 4.487 4.527 -0.000 0.000 0.297 35 F C 2.167 177.925 175.800 -0.070 0.000 1.164 35 F CA 0.408 58.375 58.000 -0.054 0.000 1.472 35 F CB -0.139 38.822 39.000 -0.066 0.000 1.108 35 F HN 0.433 nan 8.300 nan 0.000 0.596 36 S N -1.501 114.149 115.700 -0.083 0.000 2.555 36 S HA -0.015 4.455 4.470 -0.000 0.000 0.230 36 S C 0.392 174.580 174.600 -0.687 0.000 0.978 36 S CA 0.463 58.439 58.200 -0.373 0.000 0.934 36 S CB -0.315 62.582 63.200 -0.505 0.000 0.766 36 S HN 0.381 nan 8.310 nan 0.000 0.533 37 H N -1.996 117.061 119.070 -0.021 0.000 3.234 37 H HA 0.461 5.017 4.556 -0.000 0.000 0.280 37 H C 0.746 175.997 175.328 -0.129 0.000 1.601 37 H CA -0.349 55.659 56.048 -0.067 0.000 1.198 37 H CB 0.196 29.921 29.762 -0.061 0.000 1.840 37 H HN 0.240 nan 8.280 nan 0.000 0.681 38 G N 0.748 109.513 108.800 -0.058 0.000 2.682 38 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.256 38 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.256 38 G C -0.786 173.887 174.900 -0.378 0.000 1.333 38 G CA 0.750 45.654 45.100 -0.328 0.000 0.904 38 G HN 1.019 nan 8.290 nan 0.000 0.569 39 D N -3.057 117.041 120.400 -0.502 0.000 2.596 39 D HA 0.504 5.144 4.640 -0.000 0.000 0.262 39 D C 0.647 176.784 176.300 -0.272 0.000 1.210 39 D CA -0.805 52.959 54.000 -0.393 0.000 0.873 39 D CB -0.065 40.562 40.800 -0.288 0.000 1.408 39 D HN 0.290 nan 8.370 nan 0.000 0.441 40 Y N -0.002 120.185 120.300 -0.189 0.000 2.365 40 Y HA 0.035 4.585 4.550 -0.000 0.000 0.287 40 Y C 2.419 178.363 175.900 0.073 0.000 1.162 40 Y CA 1.171 59.121 58.100 -0.249 0.000 1.260 40 Y CB -1.278 37.042 38.460 -0.233 0.000 0.976 40 Y HN 0.603 nan 8.280 nan 0.000 0.548 41 A N 0.169 123.069 122.820 0.134 0.000 1.874 41 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 41 A C 2.127 179.763 177.584 0.087 0.000 1.189 41 A CA 1.280 53.395 52.037 0.129 0.000 0.615 41 A CB -0.512 18.520 19.000 0.054 0.000 0.830 41 A HN 0.447 nan 8.150 nan 0.000 0.443 42 E N -0.672 119.503 120.200 -0.041 0.000 2.077 42 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 42 E C 1.962 178.534 176.600 -0.048 0.000 0.989 42 E CA 1.254 57.594 56.400 -0.101 0.000 0.800 42 E CB -0.338 29.204 29.700 -0.264 0.000 0.746 42 E HN 0.668 nan 8.360 nan 0.000 0.452 43 H N 0.026 119.149 119.070 0.089 0.000 2.293 43 H HA -0.063 4.493 4.556 -0.000 0.000 0.300 43 H C 2.416 177.937 175.328 0.322 0.000 1.082 43 H CA 1.508 57.676 56.048 0.200 0.000 1.308 43 H CB -0.792 29.135 29.762 0.274 0.000 1.375 43 H HN 0.300 nan 8.280 nan 0.000 0.495 44 G N 0.536 109.683 108.800 0.578 0.000 2.505 44 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.220 44 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.220 44 G C 1.809 176.823 174.900 0.190 0.000 1.145 44 G CA 1.303 46.626 45.100 0.372 0.000 0.761 44 G HN 0.338 nan 8.290 nan 0.000 0.571 45 Q N 0.120 120.014 119.800 0.156 0.000 2.079 45 Q HA 0.017 4.357 4.340 -0.000 0.000 0.200 45 Q C 2.564 178.613 176.000 0.082 0.000 0.974 45 Q CA 1.500 57.357 55.803 0.090 0.000 0.840 45 Q CB -0.324 28.448 28.738 0.057 0.000 0.898 45 Q HN 0.419 nan 8.270 nan 0.000 0.430 46 R N -0.182 120.379 120.500 0.103 0.000 2.103 46 R HA -0.092 4.248 4.340 -0.000 0.000 0.242 46 R C 2.066 178.424 176.300 0.097 0.000 1.142 46 R CA 1.713 57.872 56.100 0.098 0.000 0.960 46 R CB -0.479 29.904 30.300 0.137 0.000 0.858 46 R HN 0.401 nan 8.270 nan 0.000 0.439 47 I N -0.213 120.431 120.570 0.123 0.000 2.113 47 I HA -0.308 3.862 4.170 -0.000 0.000 0.238 47 I C 2.436 178.573 176.117 0.034 0.000 1.070 47 I CA 1.610 62.958 61.300 0.079 0.000 1.332 47 I CB -0.426 37.614 38.000 0.067 0.000 1.044 47 I HN 0.279 nan 8.210 nan 0.000 0.402 48 Q N 1.457 121.278 119.800 0.035 0.000 2.096 48 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 48 Q C 1.802 177.813 176.000 0.020 0.000 0.982 48 Q CA 1.887 57.701 55.803 0.018 0.000 0.850 48 Q CB -0.187 28.567 28.738 0.027 0.000 0.901 48 Q HN 0.398 nan 8.270 nan 0.000 0.422 49 N N -0.282 118.436 118.700 0.029 0.000 2.364 49 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 49 N C 1.298 176.820 175.510 0.021 0.000 1.022 49 N CA 0.795 53.859 53.050 0.024 0.000 0.883 49 N CB -0.214 38.289 38.487 0.027 0.000 0.965 49 N HN 0.266 nan 8.380 nan 0.000 0.438 50 L N 1.188 122.424 121.223 0.022 0.000 2.068 50 L HA 0.060 4.400 4.340 -0.000 0.000 0.204 50 L C 1.967 178.840 176.870 0.005 0.000 1.076 50 L CA 1.341 56.191 54.840 0.017 0.000 0.753 50 L CB -0.233 41.836 42.059 0.016 0.000 0.910 50 L HN -0.060 nan 8.230 nan 0.000 0.439 51 R N 0.146 120.642 120.500 -0.006 0.000 2.127 51 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 51 R C 1.887 178.186 176.300 -0.001 0.000 1.134 51 R CA 1.287 57.376 56.100 -0.018 0.000 0.975 51 R CB -1.271 29.012 30.300 -0.027 0.000 0.865 51 R HN 0.496 nan 8.270 nan 0.000 0.447 52 N N 0.531 119.234 118.700 0.005 0.000 2.106 52 N HA -0.095 4.645 4.740 -0.000 0.000 0.188 52 N C 1.937 177.454 175.510 0.012 0.000 1.029 52 N CA 0.990 54.045 53.050 0.009 0.000 0.848 52 N CB -0.480 38.013 38.487 0.010 0.000 1.007 52 N HN -0.024 nan 8.380 nan 0.000 0.423 53 V N 1.780 121.703 119.914 0.014 0.000 2.594 53 V HA -0.175 3.945 4.120 -0.000 0.000 0.253 53 V C 2.241 178.346 176.094 0.019 0.000 1.069 53 V CA 1.158 63.468 62.300 0.016 0.000 1.082 53 V CB -0.492 31.342 31.823 0.018 0.000 0.680 53 V HN 0.290 nan 8.190 nan 0.000 0.469 54 M N -0.564 119.048 119.600 0.019 0.000 2.064 54 M HA -0.139 4.341 4.480 -0.000 0.000 0.260 54 M C 2.527 178.844 176.300 0.028 0.000 1.073 54 M CA 1.990 57.307 55.300 0.028 0.000 1.124 54 M CB -0.621 31.998 32.600 0.031 0.000 1.326 54 M HN 0.314 nan 8.290 nan 0.000 0.410 55 S N 0.886 116.600 115.700 0.023 0.000 2.359 55 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 55 S C 2.356 176.966 174.600 0.017 0.000 1.038 55 S CA 2.228 60.440 58.200 0.020 0.000 1.051 55 S CB -0.821 62.388 63.200 0.014 0.000 0.944 55 S HN 0.572 nan 8.310 nan 0.000 0.433 56 K N 0.778 121.187 120.400 0.015 0.000 2.442 56 K HA -0.100 4.220 4.320 -0.000 0.000 0.200 56 K C 1.653 178.262 176.600 0.014 0.000 1.045 56 K CA 1.827 58.122 56.287 0.013 0.000 0.937 56 K CB -1.194 31.313 32.500 0.012 0.000 0.757 56 K HN 0.740 nan 8.250 nan 0.000 0.474 57 T N -6.788 107.776 114.554 0.017 0.000 3.253 57 T HA 0.404 4.754 4.350 -0.000 0.000 0.299 57 T C 1.621 176.332 174.700 0.019 0.000 0.927 57 T CA 0.950 63.060 62.100 0.017 0.000 0.926 57 T CB 0.189 69.068 68.868 0.019 0.000 1.183 57 T HN 1.323 nan 8.240 nan 0.000 0.557 58 G N 2.249 111.062 108.800 0.021 0.000 2.228 58 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.270 58 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.270 58 G C 0.222 175.139 174.900 0.029 0.000 0.976 58 G CA 0.759 45.872 45.100 0.022 0.000 0.636 58 G HN 0.733 nan 8.290 nan 0.000 0.542 59 K N 0.448 120.866 120.400 0.031 0.000 2.285 59 K HA 0.449 4.769 4.320 -0.000 0.000 0.255 59 K C 0.308 176.941 176.600 0.055 0.000 1.000 59 K CA 1.022 57.331 56.287 0.038 0.000 0.887 59 K CB 0.201 32.722 32.500 0.034 0.000 0.997 59 K HN 0.222 nan 8.250 nan 0.000 0.510 60 T N -0.283 114.309 114.554 0.064 0.000 2.903 60 T HA 0.720 5.070 4.350 -0.000 0.000 0.299 60 T C -1.332 173.428 174.700 0.100 0.000 1.093 60 T CA -0.909 61.254 62.100 0.105 0.000 1.002 60 T CB 1.953 70.881 68.868 0.101 0.000 1.127 60 T HN 0.694 nan 8.240 nan 0.000 0.488 61 A N 0.684 123.580 122.820 0.127 0.000 2.583 61 A HA 0.880 5.200 4.320 -0.000 0.000 0.292 61 A C -1.197 176.433 177.584 0.078 0.000 1.045 61 A CA -0.477 51.615 52.037 0.092 0.000 0.672 61 A CB 0.590 19.624 19.000 0.058 0.000 1.283 61 A HN 1.280 nan 8.150 nan 0.000 0.419 62 A N 0.129 123.008 122.820 0.099 0.000 2.373 62 A HA 0.966 5.286 4.320 -0.000 0.000 0.291 62 A C -0.745 176.889 177.584 0.083 0.000 1.171 62 A CA -0.642 51.445 52.037 0.083 0.000 0.922 62 A CB 0.806 19.917 19.000 0.186 0.000 1.400 62 A HN 1.110 nan 8.150 nan 0.000 0.474 63 I N 0.468 121.085 120.570 0.077 0.000 2.534 63 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 63 I C -1.068 175.140 176.117 0.152 0.000 1.094 63 I CA -0.104 61.253 61.300 0.094 0.000 1.055 63 I CB 1.808 39.822 38.000 0.024 0.000 1.225 63 I HN 0.593 nan 8.210 nan 0.000 0.435 64 L N 7.265 128.609 121.223 0.201 0.000 2.296 64 L HA 0.582 4.922 4.340 -0.000 0.000 0.286 64 L C -1.205 175.763 176.870 0.164 0.000 1.023 64 L CA -0.607 54.370 54.840 0.228 0.000 0.812 64 L CB 1.588 43.777 42.059 0.217 0.000 1.223 64 L HN 0.618 nan 8.230 nan 0.000 0.421 65 L N 5.492 126.790 121.223 0.125 0.000 2.259 65 L HA 0.348 4.688 4.340 -0.000 0.000 0.288 65 L C -0.609 176.307 176.870 0.076 0.000 1.051 65 L CA -0.417 54.474 54.840 0.084 0.000 0.824 65 L CB 0.775 42.781 42.059 -0.089 0.000 1.206 65 L HN 0.652 nan 8.230 nan 0.000 0.429 66 D N 3.659 124.145 120.400 0.143 0.000 2.295 66 D HA 0.124 4.764 4.640 -0.000 0.000 0.248 66 D C -0.137 176.234 176.300 0.119 0.000 1.154 66 D CA -0.010 54.059 54.000 0.116 0.000 0.857 66 D CB 1.395 42.267 40.800 0.119 0.000 1.117 66 D HN 0.432 nan 8.370 nan 0.000 0.468 67 T N 3.014 117.606 114.554 0.064 0.000 2.860 67 T HA 0.015 4.365 4.350 -0.000 0.000 0.299 67 T C 1.380 176.116 174.700 0.060 0.000 1.045 67 T CA -0.176 61.953 62.100 0.050 0.000 1.071 67 T CB 1.358 70.238 68.868 0.020 0.000 0.985 67 T HN 0.418 nan 8.240 nan 0.000 0.537 68 K N 1.309 121.739 120.400 0.051 0.000 2.067 68 K HA 0.208 4.528 4.320 -0.000 0.000 0.203 68 K C 1.035 177.627 176.600 -0.013 0.000 1.048 68 K CA 0.946 57.238 56.287 0.008 0.000 0.954 68 K CB -0.494 32.003 32.500 -0.004 0.000 0.737 68 K HN 0.918 nan 8.250 nan 0.000 0.444 69 G N 1.272 110.068 108.800 -0.008 0.000 2.860 69 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.553 69 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.553 69 G C -2.684 172.177 174.900 -0.065 0.000 1.439 69 G CA -0.464 44.625 45.100 -0.018 0.000 0.879 69 G HN 0.259 nan 8.290 nan 0.000 0.545 70 P HA 0.464 nan 4.420 nan 0.000 0.274 70 P C -0.089 177.048 177.300 -0.272 0.000 1.231 70 P CA 0.145 63.163 63.100 -0.136 0.000 0.790 70 P CB 0.975 32.616 31.700 -0.099 0.000 0.951 71 E N 0.172 120.221 120.200 -0.252 0.000 2.409 71 E HA 0.540 4.890 4.350 -0.000 0.000 0.280 71 E C -1.363 175.103 176.600 -0.223 0.000 1.079 71 E CA -0.868 55.342 56.400 -0.317 0.000 0.840 71 E CB 0.699 30.243 29.700 -0.259 0.000 1.309 71 E HN 0.156 nan 8.360 nan 0.000 0.447 72 I N 0.871 121.312 120.570 -0.215 0.000 2.460 72 I HA 0.575 4.745 4.170 -0.000 0.000 0.298 72 I C 0.006 176.062 176.117 -0.102 0.000 0.989 72 I CA -0.912 60.322 61.300 -0.110 0.000 1.173 72 I CB 1.371 39.351 38.000 -0.033 0.000 1.338 72 I HN 0.349 nan 8.210 nan 0.000 0.456 73 R N 2.396 122.844 120.500 -0.086 0.000 2.707 73 R HA 0.446 4.786 4.340 -0.000 0.000 0.272 73 R C -0.822 175.437 176.300 -0.069 0.000 1.011 73 R CA -0.792 55.265 56.100 -0.071 0.000 0.893 73 R CB 2.606 32.878 30.300 -0.047 0.000 1.233 73 R HN 0.761 nan 8.270 nan 0.000 0.464 74 T N -0.945 113.596 114.554 -0.023 0.000 2.904 74 T HA 0.448 4.798 4.350 -0.000 0.000 0.290 74 T C 1.005 175.722 174.700 0.028 0.000 1.018 74 T CA -0.558 61.565 62.100 0.038 0.000 1.075 74 T CB 1.029 69.966 68.868 0.115 0.000 0.986 74 T HN 0.386 nan 8.240 nan 0.000 0.523 75 M N 0.570 120.194 119.600 0.039 0.000 2.318 75 M HA 0.435 4.915 4.480 -0.000 0.000 0.214 75 M C 0.481 176.798 176.300 0.027 0.000 0.668 75 M CA -1.004 54.310 55.300 0.023 0.000 1.873 75 M CB 0.054 32.661 32.600 0.012 0.000 1.115 75 M HN 0.351 nan 8.290 nan 0.000 0.907 76 K N 2.237 122.648 120.400 0.018 0.000 2.270 76 K HA 0.469 4.789 4.320 -0.000 0.000 0.276 76 K C -0.764 175.847 176.600 0.019 0.000 1.023 76 K CA 0.092 56.388 56.287 0.015 0.000 0.955 76 K CB 0.462 32.966 32.500 0.006 0.000 0.975 76 K HN 0.434 nan 8.250 nan 0.000 0.471 77 L N 2.325 123.559 121.223 0.019 0.000 2.325 77 L HA 0.281 4.621 4.340 -0.000 0.000 0.278 77 L C 0.523 177.399 176.870 0.010 0.000 1.023 77 L CA -0.845 54.007 54.840 0.020 0.000 0.811 77 L CB 1.447 43.522 42.059 0.028 0.000 1.249 77 L HN 0.517 nan 8.230 nan 0.000 0.431 78 E N 1.383 121.586 120.200 0.005 0.000 2.529 78 E HA 0.044 4.394 4.350 -0.000 0.000 0.259 78 E C 0.994 177.595 176.600 0.002 0.000 0.966 78 E CA 0.846 57.246 56.400 -0.000 0.000 0.937 78 E CB 0.294 29.992 29.700 -0.004 0.000 0.923 78 E HN 0.887 nan 8.360 nan 0.000 0.468 79 G N 2.977 111.777 108.800 0.000 0.000 2.200 79 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.267 79 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.267 79 G C 0.967 175.868 174.900 0.002 0.000 0.993 79 G CA 0.612 45.712 45.100 0.000 0.000 0.701 79 G HN 1.269 nan 8.290 nan 0.000 0.524 80 G N -1.396 107.406 108.800 0.004 0.000 2.212 80 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.267 80 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.267 80 G C 0.151 175.055 174.900 0.007 0.000 1.002 80 G CA 0.858 45.961 45.100 0.005 0.000 0.729 80 G HN 1.141 nan 8.290 nan 0.000 0.517 81 N N 0.599 119.304 118.700 0.008 0.000 2.473 81 N HA 0.443 5.183 4.740 -0.000 0.000 0.291 81 N C -0.942 174.576 175.510 0.013 0.000 1.083 81 N CA -0.924 52.131 53.050 0.008 0.000 0.951 81 N CB 0.810 39.300 38.487 0.006 0.000 1.164 81 N HN 0.035 nan 8.380 nan 0.000 0.480 82 D N 1.181 121.588 120.400 0.012 0.000 2.390 82 D HA 0.098 4.738 4.640 -0.000 0.000 0.249 82 D C -0.144 176.166 176.300 0.017 0.000 1.144 82 D CA -0.168 53.841 54.000 0.015 0.000 0.880 82 D CB 0.925 41.731 40.800 0.009 0.000 1.182 82 D HN 0.191 nan 8.370 nan 0.000 0.451 83 V N -0.054 119.876 119.914 0.026 0.000 2.472 83 V HA 0.571 4.691 4.120 -0.000 0.000 0.290 83 V C 0.052 176.161 176.094 0.024 0.000 1.037 83 V CA -0.703 61.617 62.300 0.033 0.000 0.908 83 V CB 1.818 33.677 31.823 0.060 0.000 0.985 83 V HN 0.346 nan 8.190 nan 0.000 0.454 84 S N 6.202 121.914 115.700 0.021 0.000 2.452 84 S HA 0.604 5.074 4.470 -0.000 0.000 0.284 84 S C -0.203 174.408 174.600 0.017 0.000 1.171 84 S CA -0.476 57.731 58.200 0.012 0.000 1.064 84 S CB 0.490 63.696 63.200 0.009 0.000 0.967 84 S HN 0.686 nan 8.310 nan 0.000 0.484 85 L N 3.026 124.247 121.223 -0.003 0.000 2.292 85 L HA 0.527 4.867 4.340 -0.000 0.000 0.284 85 L C 0.602 177.472 176.870 0.000 0.000 1.065 85 L CA -0.707 54.130 54.840 -0.005 0.000 0.806 85 L CB 0.487 42.495 42.059 -0.084 0.000 1.175 85 L HN 0.594 nan 8.230 nan 0.000 0.431 86 K N 2.418 122.830 120.400 0.019 0.000 2.156 86 K HA 0.779 5.099 4.320 -0.000 0.000 0.271 86 K C 0.145 176.757 176.600 0.019 0.000 0.995 86 K CA -0.160 56.138 56.287 0.018 0.000 0.890 86 K CB 1.387 33.900 32.500 0.023 0.000 1.073 86 K HN 0.763 nan 8.250 nan 0.000 0.454 87 A N 0.408 123.236 122.820 0.014 0.000 2.555 87 A HA 0.477 4.797 4.320 -0.000 0.000 0.233 87 A C 1.908 179.506 177.584 0.023 0.000 1.060 87 A CA 1.126 53.173 52.037 0.016 0.000 0.759 87 A CB -0.796 18.212 19.000 0.013 0.000 0.995 87 A HN 2.483 nan 8.150 nan 0.000 0.506 88 G N 0.449 109.265 108.800 0.028 0.000 2.343 88 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.264 88 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.264 88 G C 0.559 175.482 174.900 0.039 0.000 0.989 88 G CA 1.273 46.392 45.100 0.032 0.000 0.627 88 G HN 1.604 nan 8.290 nan 0.000 0.549 89 Q N 0.284 120.110 119.800 0.043 0.000 2.584 89 Q HA 0.547 4.887 4.340 -0.000 0.000 0.218 89 Q C -0.109 175.936 176.000 0.074 0.000 1.079 89 Q CA 0.463 56.297 55.803 0.052 0.000 1.008 89 Q CB 0.264 29.037 28.738 0.059 0.000 1.267 89 Q HN 0.206 nan 8.270 nan 0.000 0.586 90 T N 1.112 115.707 114.554 0.070 0.000 2.889 90 T HA 0.539 4.889 4.350 -0.000 0.000 0.291 90 T C -1.287 173.488 174.700 0.125 0.000 0.995 90 T CA -0.256 61.891 62.100 0.077 0.000 1.092 90 T CB 0.252 69.138 68.868 0.029 0.000 0.954 90 T HN 0.443 nan 8.240 nan 0.000 0.506 91 F N 1.255 121.173 119.950 -0.054 0.000 2.615 91 F HA 0.481 5.007 4.527 -0.000 0.000 0.312 91 F C -0.835 174.867 175.800 -0.165 0.000 1.119 91 F CA -0.425 57.493 58.000 -0.136 0.000 0.979 91 F CB 1.797 40.696 39.000 -0.169 0.000 1.266 91 F HN 0.508 nan 8.300 nan 0.000 0.444 92 T N 5.080 119.254 114.554 -0.634 0.000 2.893 92 T HA 0.620 4.970 4.350 -0.000 0.000 0.291 92 T C -1.343 173.082 174.700 -0.457 0.000 1.028 92 T CA -0.398 61.518 62.100 -0.306 0.000 0.995 92 T CB 1.348 70.063 68.868 -0.255 0.000 1.051 92 T HN 0.298 nan 8.240 nan 0.000 0.470 93 F N 0.992 121.014 119.950 0.120 0.000 2.492 93 F HA 0.686 5.213 4.527 -0.000 0.000 0.327 93 F C 0.823 176.660 175.800 0.063 0.000 1.079 93 F CA -0.646 57.429 58.000 0.124 0.000 0.967 93 F CB 2.211 41.356 39.000 0.242 0.000 1.169 93 F HN 0.405 nan 8.300 nan 0.000 0.472 94 T N 0.243 114.910 114.554 0.188 0.000 2.900 94 T HA 0.267 4.617 4.350 -0.000 0.000 0.295 94 T C 0.607 175.339 174.700 0.053 0.000 1.044 94 T CA -0.341 61.818 62.100 0.099 0.000 0.995 94 T CB 1.649 70.532 68.868 0.026 0.000 1.072 94 T HN 0.657 nan 8.240 nan 0.000 0.473 95 T N 2.184 116.765 114.554 0.046 0.000 2.985 95 T HA 0.035 4.385 4.350 -0.000 0.000 0.266 95 T C 0.449 175.146 174.700 -0.005 0.000 1.076 95 T CA 0.646 62.751 62.100 0.009 0.000 1.135 95 T CB -0.253 68.623 68.868 0.013 0.000 0.890 95 T HN 0.628 nan 8.240 nan 0.000 0.480 96 D N 1.508 121.909 120.400 0.001 0.000 2.342 96 D HA 0.076 4.716 4.640 -0.000 0.000 0.260 96 D C 1.001 177.298 176.300 -0.006 0.000 1.278 96 D CA 0.181 54.178 54.000 -0.004 0.000 0.910 96 D CB 0.688 41.485 40.800 -0.005 0.000 1.079 96 D HN 0.152 nan 8.370 nan 0.000 0.496 97 K N 1.534 121.930 120.400 -0.006 0.000 2.209 97 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 97 K C 1.966 178.563 176.600 -0.005 0.000 1.048 97 K CA 1.242 57.526 56.287 -0.005 0.000 0.940 97 K CB 0.006 32.504 32.500 -0.004 0.000 0.729 97 K HN 0.478 nan 8.250 nan 0.000 0.451 98 S N 0.830 116.526 115.700 -0.006 0.000 2.399 98 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 98 S C 1.088 175.682 174.600 -0.010 0.000 1.022 98 S CA 0.260 58.455 58.200 -0.007 0.000 0.983 98 S CB -0.586 62.610 63.200 -0.008 0.000 0.803 98 S HN -0.036 nan 8.310 nan 0.000 0.480 99 V N 3.350 123.257 119.914 -0.013 0.000 2.557 99 V HA 0.101 4.221 4.120 -0.000 0.000 0.301 99 V C 0.313 176.397 176.094 -0.018 0.000 1.026 99 V CA 0.314 62.602 62.300 -0.019 0.000 1.137 99 V CB -0.355 31.453 31.823 -0.026 0.000 0.917 99 V HN 0.440 nan 8.190 nan 0.000 0.484 100 I N 4.702 125.259 120.570 -0.021 0.000 2.315 100 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 100 I C 1.229 177.331 176.117 -0.026 0.000 1.006 100 I CA -0.076 61.215 61.300 -0.016 0.000 1.265 100 I CB 1.150 39.143 38.000 -0.012 0.000 1.387 100 I HN 0.743 nan 8.210 nan 0.000 0.475 101 G N 5.164 113.954 108.800 -0.015 0.000 2.716 101 G HA2 0.288 4.248 3.960 -0.000 0.000 0.251 101 G HA3 0.288 4.248 3.960 -0.000 0.000 0.251 101 G C -0.327 174.561 174.900 -0.020 0.000 1.224 101 G CA -0.061 45.027 45.100 -0.021 0.000 0.891 101 G HN 0.871 nan 8.290 nan 0.000 0.561 102 N N -4.078 114.609 118.700 -0.022 0.000 3.405 102 N HA 0.090 4.830 4.740 -0.000 0.000 0.292 102 N C 0.640 176.160 175.510 0.016 0.000 1.456 102 N CA 0.097 53.142 53.050 -0.008 0.000 0.861 102 N CB 0.190 38.656 38.487 -0.035 0.000 1.643 102 N HN 0.536 nan 8.380 nan 0.000 0.474 103 S N -1.732 113.985 115.700 0.028 0.000 2.537 103 S HA -0.037 4.433 4.470 -0.000 0.000 0.240 103 S C 0.467 175.089 174.600 0.037 0.000 0.981 103 S CA 1.176 59.428 58.200 0.086 0.000 0.948 103 S CB -0.434 62.806 63.200 0.067 0.000 0.759 103 S HN 0.570 nan 8.310 nan 0.000 0.531 104 E N 0.172 120.280 120.200 -0.152 0.000 2.431 104 E HA 0.470 4.820 4.350 -0.000 0.000 0.200 104 E C 0.278 176.426 176.600 -0.754 0.000 0.995 104 E CA 0.207 56.421 56.400 -0.311 0.000 0.915 104 E CB 0.582 30.168 29.700 -0.190 0.000 0.930 104 E HN 0.714 nan 8.360 nan 0.000 0.496 105 M N -0.578 118.514 119.600 -0.847 0.000 2.755 105 M HA 0.393 4.873 4.480 -0.000 0.000 0.276 105 M C -2.170 173.805 176.300 -0.542 0.000 1.129 105 M CA -0.668 54.035 55.300 -0.994 0.000 0.832 105 M CB 1.694 33.999 32.600 -0.491 0.000 1.700 105 M HN -0.175 nan 8.290 nan 0.000 0.518 106 V N 1.977 121.663 119.914 -0.380 0.000 3.048 106 V HA 0.927 5.047 4.120 -0.000 0.000 0.303 106 V C -0.991 175.129 176.094 0.043 0.000 1.214 106 V CA -0.062 62.213 62.300 -0.042 0.000 0.984 106 V CB 2.228 34.160 31.823 0.181 0.000 1.054 106 V HN 1.134 nan 8.190 nan 0.000 0.430 107 A N 4.117 126.964 122.820 0.045 0.000 2.286 107 A HA 0.860 5.180 4.320 -0.000 0.000 0.286 107 A C -0.319 177.289 177.584 0.040 0.000 1.097 107 A CA 0.014 52.077 52.037 0.043 0.000 0.821 107 A CB 1.329 20.334 19.000 0.008 0.000 1.076 107 A HN 1.782 nan 8.150 nan 0.000 0.490 108 V N -0.903 118.983 119.914 -0.047 0.000 2.769 108 V HA 0.632 4.752 4.120 -0.000 0.000 0.312 108 V C 0.981 177.022 176.094 -0.089 0.000 1.058 108 V CA 0.157 62.359 62.300 -0.162 0.000 0.952 108 V CB 0.830 32.316 31.823 -0.561 0.000 1.019 108 V HN 1.174 nan 8.190 nan 0.000 0.445 109 T N -1.133 113.387 114.554 -0.056 0.000 2.995 109 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 109 T C 0.614 175.355 174.700 0.068 0.000 1.091 109 T CA 1.187 63.289 62.100 0.003 0.000 1.128 109 T CB -0.466 68.404 68.868 0.004 0.000 0.891 109 T HN 0.817 nan 8.240 nan 0.000 0.492 110 Y N 2.558 122.809 120.300 -0.081 0.000 2.535 110 Y HA 0.377 4.927 4.550 -0.000 0.000 0.349 110 Y C 1.241 177.178 175.900 0.061 0.000 0.992 110 Y CA -2.093 56.006 58.100 -0.002 0.000 1.248 110 Y CB 0.535 39.020 38.460 0.042 0.000 1.124 110 Y HN 0.225 nan 8.280 nan 0.000 0.520 111 E N 2.908 122.928 120.200 -0.300 0.000 2.267 111 E HA -0.142 4.208 4.350 -0.000 0.000 0.197 111 E C 1.514 177.809 176.600 -0.508 0.000 0.998 111 E CA 1.144 57.362 56.400 -0.304 0.000 0.830 111 E CB -0.073 29.539 29.700 -0.146 0.000 0.751 111 E HN 0.997 nan 8.360 nan 0.000 0.491 112 G N -0.588 107.464 108.800 -1.246 0.000 3.233 112 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.227 112 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.227 112 G C 0.803 175.357 174.900 -0.577 0.000 1.175 112 G CA -0.440 44.130 45.100 -0.882 0.000 0.781 112 G HN 0.236 nan 8.290 nan 0.000 0.542 113 F N 2.670 122.248 119.950 -0.621 0.000 2.161 113 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 113 F C 2.947 178.721 175.800 -0.044 0.000 1.089 113 F CA 2.139 60.065 58.000 -0.124 0.000 1.282 113 F CB -0.143 38.828 39.000 -0.048 0.000 1.010 113 F HN 0.242 nan 8.300 nan 0.000 0.485 114 T N -3.873 110.704 114.554 0.038 0.000 2.770 114 T HA -0.147 4.203 4.350 -0.000 0.000 0.263 114 T C 1.959 176.635 174.700 -0.041 0.000 1.039 114 T CA 1.718 63.820 62.100 0.003 0.000 1.142 114 T CB -1.099 67.782 68.868 0.023 0.000 0.868 114 T HN 0.178 nan 8.240 nan 0.000 0.435 115 T N 2.033 116.561 114.554 -0.042 0.000 2.746 115 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 115 T C 1.588 176.279 174.700 -0.016 0.000 1.039 115 T CA 1.549 63.633 62.100 -0.027 0.000 1.142 115 T CB -0.515 68.338 68.868 -0.025 0.000 0.866 115 T HN 0.399 nan 8.240 nan 0.000 0.444 116 D N 0.103 120.500 120.400 -0.007 0.000 2.289 116 D HA 0.152 4.791 4.640 -0.000 0.000 0.207 116 D C 0.724 176.992 176.300 -0.053 0.000 0.966 116 D CA 0.043 54.049 54.000 0.011 0.000 0.868 116 D CB -0.171 40.680 40.800 0.084 0.000 0.943 116 D HN 0.198 nan 8.370 nan 0.000 0.514 117 L N 0.499 121.650 121.223 -0.121 0.000 2.490 117 L HA 0.345 4.685 4.340 -0.000 0.000 0.245 117 L C 0.179 176.997 176.870 -0.086 0.000 1.185 117 L CA -0.121 54.623 54.840 -0.160 0.000 0.813 117 L CB 0.824 42.674 42.059 -0.348 0.000 1.233 117 L HN 0.007 nan 8.230 nan 0.000 0.489 118 S N -0.916 114.740 115.700 -0.073 0.000 2.556 118 S HA 0.441 4.911 4.470 -0.000 0.000 0.280 118 S C -1.071 173.515 174.600 -0.022 0.000 1.141 118 S CA -1.045 57.133 58.200 -0.036 0.000 0.883 118 S CB 0.450 63.635 63.200 -0.025 0.000 1.103 118 S HN 0.359 nan 8.310 nan 0.000 0.453 119 V N 2.660 122.570 119.914 -0.006 0.000 2.644 119 V HA 0.434 4.554 4.120 -0.000 0.000 0.305 119 V C 1.796 177.894 176.094 0.007 0.000 1.053 119 V CA 1.736 64.040 62.300 0.007 0.000 1.186 119 V CB -0.132 31.699 31.823 0.014 0.000 0.895 119 V HN 2.017 nan 8.190 nan 0.000 0.490 120 G N 3.586 112.394 108.800 0.014 0.000 2.232 120 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.226 120 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.226 120 G C 0.181 175.088 174.900 0.010 0.000 0.996 120 G CA 0.145 45.254 45.100 0.014 0.000 0.626 120 G HN 0.678 nan 8.290 nan 0.000 0.509 121 N N 0.960 119.660 118.700 0.000 0.000 2.416 121 N HA 0.401 5.141 4.740 -0.000 0.000 0.246 121 N C -0.094 175.418 175.510 0.003 0.000 1.260 121 N CA 0.806 53.851 53.050 -0.009 0.000 0.897 121 N CB 0.417 38.880 38.487 -0.039 0.000 1.110 121 N HN 0.148 nan 8.380 nan 0.000 0.439 122 T N 1.379 115.936 114.554 0.004 0.000 2.806 122 T HA 0.305 4.655 4.350 -0.000 0.000 0.290 122 T C -0.218 174.490 174.700 0.012 0.000 0.966 122 T CA -0.513 61.599 62.100 0.019 0.000 1.060 122 T CB 0.923 69.804 68.868 0.021 0.000 0.927 122 T HN 0.046 nan 8.240 nan 0.000 0.485 123 V N 5.210 125.147 119.914 0.037 0.000 2.459 123 V HA 0.482 4.602 4.120 -0.000 0.000 0.295 123 V C -0.305 175.821 176.094 0.053 0.000 1.029 123 V CA -0.828 61.494 62.300 0.036 0.000 0.874 123 V CB 1.473 33.334 31.823 0.062 0.000 0.985 123 V HN 0.704 nan 8.190 nan 0.000 0.438 124 L N 5.203 126.447 121.223 0.036 0.000 2.319 124 L HA 0.567 4.907 4.340 -0.000 0.000 0.281 124 L C -0.533 176.354 176.870 0.028 0.000 1.005 124 L CA -0.604 54.256 54.840 0.034 0.000 0.828 124 L CB 1.887 43.963 42.059 0.028 0.000 1.227 124 L HN 0.363 nan 8.230 nan 0.000 0.415 125 V N 2.885 122.821 119.914 0.036 0.000 2.407 125 V HA 0.191 4.311 4.120 -0.000 0.000 0.278 125 V C 0.048 176.150 176.094 0.013 0.000 1.037 125 V CA -0.324 61.996 62.300 0.032 0.000 0.900 125 V CB 1.349 33.207 31.823 0.058 0.000 0.983 125 V HN 0.868 nan 8.190 nan 0.000 0.459 126 D N 4.721 125.128 120.400 0.011 0.000 3.763 126 D HA -0.180 4.460 4.640 -0.000 0.000 0.232 126 D C 0.316 176.620 176.300 0.006 0.000 1.108 126 D CA 0.730 54.733 54.000 0.006 0.000 1.117 126 D CB -0.533 40.269 40.800 0.003 0.000 0.846 126 D HN 0.887 nan 8.370 nan 0.000 0.405 127 D N 1.847 122.250 120.400 0.006 0.000 2.702 127 D HA -0.163 4.477 4.640 -0.000 0.000 0.233 127 D C 1.294 177.601 176.300 0.011 0.000 1.164 127 D CA 2.366 56.372 54.000 0.009 0.000 0.638 127 D CB -1.441 39.365 40.800 0.010 0.000 1.041 127 D HN 1.077 nan 8.370 nan 0.000 0.422 128 G N -0.769 108.038 108.800 0.013 0.000 2.258 128 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.274 128 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.274 128 G C 1.033 175.939 174.900 0.010 0.000 1.021 128 G CA 0.676 45.784 45.100 0.014 0.000 0.798 128 G HN 0.540 nan 8.290 nan 0.000 0.507 129 L N -0.577 120.649 121.223 0.005 0.000 2.141 129 L HA 0.392 4.732 4.340 -0.000 0.000 0.209 129 L C 1.200 178.068 176.870 -0.005 0.000 1.094 129 L CA 1.571 56.411 54.840 0.000 0.000 0.763 129 L CB 0.125 42.182 42.059 -0.003 0.000 0.908 129 L HN 0.429 nan 8.230 nan 0.000 0.437 130 I N -0.708 119.858 120.570 -0.006 0.000 2.569 130 I HA 0.477 4.647 4.170 -0.000 0.000 0.290 130 I C 0.143 176.264 176.117 0.007 0.000 1.088 130 I CA -0.596 60.697 61.300 -0.013 0.000 1.047 130 I CB 1.690 39.661 38.000 -0.049 0.000 1.237 130 I HN -0.019 nan 8.210 nan 0.000 0.421 131 G N 5.693 114.501 108.800 0.013 0.000 2.461 131 G HA2 0.909 4.869 3.960 -0.000 0.000 0.329 131 G HA3 0.909 4.869 3.960 -0.000 0.000 0.329 131 G C -0.900 174.025 174.900 0.043 0.000 1.170 131 G CA -0.596 44.523 45.100 0.031 0.000 0.935 131 G HN 0.502 nan 8.290 nan 0.000 0.492 132 M N 0.288 119.931 119.600 0.071 0.000 2.389 132 M HA 0.223 4.703 4.480 -0.000 0.000 0.291 132 M C -1.094 175.269 176.300 0.105 0.000 1.128 132 M CA -0.524 54.836 55.300 0.100 0.000 0.942 132 M CB 2.983 35.689 32.600 0.177 0.000 1.783 132 M HN 0.628 nan 8.290 nan 0.000 0.501 133 E N 2.097 122.352 120.200 0.090 0.000 2.216 133 E HA 0.515 4.865 4.350 -0.000 0.000 0.279 133 E C -1.145 175.511 176.600 0.093 0.000 0.997 133 E CA -0.680 55.765 56.400 0.074 0.000 0.817 133 E CB 1.527 31.259 29.700 0.053 0.000 1.096 133 E HN 0.539 nan 8.360 nan 0.000 0.393 134 V N 4.824 124.785 119.914 0.078 0.000 2.446 134 V HA -0.005 4.115 4.120 -0.000 0.000 0.276 134 V C 1.369 177.501 176.094 0.064 0.000 1.030 134 V CA 0.668 63.018 62.300 0.084 0.000 1.033 134 V CB 0.551 32.400 31.823 0.044 0.000 0.993 134 V HN 0.944 nan 8.190 nan 0.000 0.477 135 T N 1.561 116.160 114.554 0.074 0.000 3.039 135 T HA 0.527 4.877 4.350 -0.000 0.000 0.250 135 T C 0.561 175.288 174.700 0.045 0.000 1.052 135 T CA 0.567 62.700 62.100 0.054 0.000 1.125 135 T CB 0.468 69.369 68.868 0.055 0.000 0.908 135 T HN 0.950 nan 8.240 nan 0.000 0.473 136 A N 0.185 123.038 122.820 0.055 0.000 2.593 136 A HA 0.814 5.134 4.320 -0.000 0.000 0.290 136 A C -1.824 175.792 177.584 0.053 0.000 1.126 136 A CA -1.021 51.043 52.037 0.044 0.000 0.695 136 A CB 1.214 20.236 19.000 0.038 0.000 1.290 136 A HN 0.400 nan 8.150 nan 0.000 0.414 137 I N 0.449 121.044 120.570 0.041 0.000 2.667 137 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 137 I C -1.417 174.720 176.117 0.032 0.000 1.267 137 I CA -0.015 61.312 61.300 0.044 0.000 1.055 137 I CB 2.313 40.330 38.000 0.028 0.000 1.294 137 I HN 0.782 nan 8.210 nan 0.000 0.429 138 E N 4.420 124.641 120.200 0.034 0.000 2.287 138 E HA 0.593 4.943 4.350 -0.000 0.000 0.274 138 E C 0.145 176.759 176.600 0.023 0.000 0.896 138 E CA -0.526 55.888 56.400 0.023 0.000 0.788 138 E CB 2.324 32.034 29.700 0.018 0.000 1.244 138 E HN 0.833 nan 8.360 nan 0.000 0.408 139 G N 3.678 112.488 108.800 0.017 0.000 2.566 139 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.280 139 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.280 139 G C 0.440 175.355 174.900 0.025 0.000 1.225 139 G CA 0.451 45.560 45.100 0.015 0.000 0.966 139 G HN 0.737 nan 8.290 nan 0.000 0.560 140 N N 0.982 119.698 118.700 0.025 0.000 2.449 140 N HA 0.101 4.841 4.740 -0.000 0.000 0.191 140 N C 0.252 175.806 175.510 0.072 0.000 1.161 140 N CA 0.841 53.914 53.050 0.040 0.000 0.863 140 N CB 0.192 38.694 38.487 0.025 0.000 0.980 140 N HN 0.572 nan 8.380 nan 0.000 0.458 141 K N 0.400 120.842 120.400 0.070 0.000 2.138 141 K HA 0.416 4.736 4.320 -0.000 0.000 0.263 141 K C -0.676 176.008 176.600 0.140 0.000 0.965 141 K CA -0.884 55.462 56.287 0.099 0.000 0.868 141 K CB 2.491 35.020 32.500 0.048 0.000 1.083 141 K HN -0.187 nan 8.250 nan 0.000 0.443 142 V N 4.372 124.427 119.914 0.234 0.000 2.284 142 V HA 0.207 4.327 4.120 -0.000 0.000 0.274 142 V C -0.181 176.084 176.094 0.285 0.000 1.023 142 V CA -0.868 61.597 62.300 0.274 0.000 0.808 142 V CB 0.761 32.824 31.823 0.400 0.000 1.035 142 V HN 0.535 nan 8.190 nan 0.000 0.445 143 I N 3.935 124.606 120.570 0.168 0.000 2.416 143 I HA 0.386 4.556 4.170 -0.000 0.000 0.288 143 I C 0.246 176.460 176.117 0.162 0.000 1.051 143 I CA 0.180 61.556 61.300 0.128 0.000 1.375 143 I CB 0.674 38.715 38.000 0.070 0.000 1.407 143 I HN 0.521 nan 8.210 nan 0.000 0.516 144 C N 5.470 124.885 119.300 0.191 0.000 2.898 144 C HA 0.438 4.898 4.460 -0.000 0.000 0.304 144 C C 0.327 175.413 174.990 0.160 0.000 1.237 144 C CA -1.122 58.016 59.018 0.200 0.000 1.529 144 C CB 2.599 30.534 27.740 0.325 0.000 2.021 144 C HN 0.715 nan 8.230 nan 0.000 0.474 145 K N 1.277 121.749 120.400 0.121 0.000 2.143 145 K HA 0.609 4.929 4.320 -0.000 0.000 0.272 145 K C -0.804 175.849 176.600 0.089 0.000 1.001 145 K CA -0.218 56.124 56.287 0.091 0.000 0.915 145 K CB 1.088 33.627 32.500 0.065 0.000 1.047 145 K HN 0.569 nan 8.250 nan 0.000 0.458 146 V N 6.270 126.228 119.914 0.073 0.000 2.530 146 V HA 0.058 4.178 4.120 -0.000 0.000 0.282 146 V C 1.295 177.409 176.094 0.034 0.000 1.048 146 V CA -0.112 62.215 62.300 0.045 0.000 0.997 146 V CB 1.205 33.040 31.823 0.021 0.000 0.987 146 V HN 0.782 nan 8.190 nan 0.000 0.477 147 L N 4.295 125.535 121.223 0.029 0.000 2.446 147 L HA 0.235 4.575 4.340 -0.000 0.000 0.219 147 L C 0.708 177.586 176.870 0.014 0.000 1.116 147 L CA 0.359 55.213 54.840 0.024 0.000 0.844 147 L CB -0.273 41.802 42.059 0.026 0.000 0.970 147 L HN 0.891 nan 8.230 nan 0.000 0.457 148 N N -1.856 116.848 118.700 0.007 0.000 2.859 148 N HA 0.111 4.851 4.740 -0.000 0.000 0.250 148 N C -1.491 174.016 175.510 -0.006 0.000 1.341 148 N CA -0.679 52.372 53.050 0.002 0.000 0.881 148 N CB 0.622 39.110 38.487 0.003 0.000 1.516 148 N HN -0.240 nan 8.380 nan 0.000 0.503 149 N N -0.440 118.257 118.700 -0.004 0.000 2.497 149 N HA 0.567 5.307 4.740 -0.000 0.000 0.268 149 N C 0.216 175.718 175.510 -0.012 0.000 1.171 149 N CA 0.557 53.603 53.050 -0.006 0.000 0.948 149 N CB 0.969 39.456 38.487 -0.001 0.000 1.069 149 N HN 0.811 nan 8.380 nan 0.000 0.460 150 G N 0.692 109.481 108.800 -0.019 0.000 2.411 150 G HA2 0.178 4.138 3.960 -0.000 0.000 0.295 150 G HA3 0.178 4.138 3.960 -0.000 0.000 0.295 150 G C -1.941 172.942 174.900 -0.028 0.000 1.542 150 G CA -0.747 44.340 45.100 -0.022 0.000 0.814 150 G HN 0.315 nan 8.290 nan 0.000 0.557 151 D N 0.484 120.873 120.400 -0.019 0.000 2.249 151 D HA 0.424 5.064 4.640 -0.000 0.000 0.246 151 D C -0.048 176.240 176.300 -0.019 0.000 1.114 151 D CA -0.209 53.782 54.000 -0.014 0.000 0.854 151 D CB 2.262 43.059 40.800 -0.005 0.000 1.132 151 D HN 0.381 nan 8.370 nan 0.000 0.461 152 L N 2.317 123.528 121.223 -0.021 0.000 2.255 152 L HA 0.565 4.905 4.340 -0.000 0.000 0.289 152 L C 0.327 177.203 176.870 0.011 0.000 1.046 152 L CA -0.205 54.625 54.840 -0.017 0.000 0.816 152 L CB 0.891 42.921 42.059 -0.049 0.000 1.197 152 L HN 0.318 nan 8.230 nan 0.000 0.427 153 G N 3.740 112.547 108.800 0.011 0.000 2.547 153 G HA2 0.376 4.336 3.960 -0.000 0.000 0.291 153 G HA3 0.376 4.336 3.960 -0.000 0.000 0.291 153 G C -0.512 174.402 174.900 0.023 0.000 1.211 153 G CA -0.612 44.497 45.100 0.015 0.000 0.950 153 G HN 0.719 nan 8.290 nan 0.000 0.504 154 E N -0.551 119.662 120.200 0.021 0.000 2.369 154 E HA 0.110 4.460 4.350 -0.000 0.000 0.255 154 E C 0.298 176.910 176.600 0.019 0.000 1.172 154 E CA -0.321 56.094 56.400 0.024 0.000 0.932 154 E CB 0.453 30.164 29.700 0.018 0.000 1.040 154 E HN 0.500 nan 8.360 nan 0.000 0.454 155 N N 0.886 119.597 118.700 0.018 0.000 2.727 155 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 155 N C -1.409 174.105 175.510 0.006 0.000 1.048 155 N CA 0.558 53.614 53.050 0.009 0.000 0.714 155 N CB -0.639 37.851 38.487 0.005 0.000 0.959 155 N HN 0.168 nan 8.380 nan 0.000 0.544 156 K N 0.055 120.463 120.400 0.014 0.000 2.174 156 K HA 0.585 4.905 4.320 -0.000 0.000 0.275 156 K C 0.787 177.384 176.600 -0.006 0.000 1.015 156 K CA 0.059 56.352 56.287 0.010 0.000 0.933 156 K CB 0.877 33.391 32.500 0.022 0.000 1.025 156 K HN 0.320 nan 8.250 nan 0.000 0.463 157 G N 1.174 109.967 108.800 -0.013 0.000 2.380 157 G HA2 0.376 4.336 3.960 -0.000 0.000 0.262 157 G HA3 0.376 4.336 3.960 -0.000 0.000 0.262 157 G C -0.776 174.105 174.900 -0.033 0.000 1.243 157 G CA -0.471 44.609 45.100 -0.033 0.000 0.865 157 G HN 0.332 nan 8.290 nan 0.000 0.513 158 V N 2.864 122.745 119.914 -0.055 0.000 2.394 158 V HA 0.288 4.408 4.120 -0.000 0.000 0.282 158 V C -0.215 175.872 176.094 -0.012 0.000 1.031 158 V CA -0.926 61.352 62.300 -0.037 0.000 0.881 158 V CB 1.419 33.198 31.823 -0.073 0.000 0.982 158 V HN 0.749 nan 8.190 nan 0.000 0.451 159 N N 4.315 123.024 118.700 0.016 0.000 2.372 159 N HA 0.599 5.339 4.740 -0.000 0.000 0.285 159 N C -1.008 174.529 175.510 0.046 0.000 1.008 159 N CA -0.540 52.532 53.050 0.036 0.000 0.880 159 N CB 1.806 40.317 38.487 0.040 0.000 1.239 159 N HN 0.581 nan 8.380 nan 0.000 0.484 160 L N 3.316 124.571 121.223 0.053 0.000 2.360 160 L HA 0.460 4.800 4.340 -0.000 0.000 0.265 160 L C -2.191 174.698 176.870 0.032 0.000 1.066 160 L CA -1.900 52.950 54.840 0.017 0.000 0.929 160 L CB 0.276 42.328 42.059 -0.012 0.000 1.306 160 L HN 0.242 nan 8.230 nan 0.000 0.434 161 P HA -0.000 nan 4.420 nan 0.000 0.266 161 P C 1.132 178.442 177.300 0.017 0.000 1.193 161 P CA 0.828 63.946 63.100 0.030 0.000 0.770 161 P CB 0.958 32.672 31.700 0.025 0.000 0.836 162 G N 0.718 109.526 108.800 0.013 0.000 2.412 162 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.252 162 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.252 162 G C 0.275 175.175 174.900 0.001 0.000 1.038 162 G CA 0.428 45.530 45.100 0.003 0.000 0.628 162 G HN 0.566 nan 8.290 nan 0.000 0.531 163 V N 1.276 121.193 119.914 0.005 0.000 2.963 163 V HA 0.454 4.574 4.120 -0.000 0.000 0.306 163 V C 0.831 176.933 176.094 0.013 0.000 1.077 163 V CA 0.651 62.954 62.300 0.004 0.000 1.124 163 V CB 1.678 33.498 31.823 -0.005 0.000 0.987 163 V HN 0.356 nan 8.190 nan 0.000 0.487 164 S N 4.270 119.977 115.700 0.012 0.000 2.474 164 S HA 0.509 4.979 4.470 -0.000 0.000 0.320 164 S C -0.389 174.236 174.600 0.042 0.000 1.067 164 S CA -0.351 57.856 58.200 0.012 0.000 1.127 164 S CB 0.129 63.331 63.200 0.004 0.000 0.971 164 S HN 0.428 nan 8.310 nan 0.000 0.472 165 I N 2.595 123.206 120.570 0.068 0.000 2.395 165 I HA 0.257 4.427 4.170 -0.000 0.000 0.289 165 I C 1.114 177.277 176.117 0.077 0.000 1.023 165 I CA -0.116 61.232 61.300 0.081 0.000 1.350 165 I CB 0.905 38.945 38.000 0.067 0.000 1.409 165 I HN 0.670 nan 8.210 nan 0.000 0.507 166 A N 7.074 129.970 122.820 0.125 0.000 2.265 166 A HA 0.240 4.560 4.320 -0.000 0.000 0.213 166 A C 0.855 178.512 177.584 0.122 0.000 1.255 166 A CA -0.071 52.048 52.037 0.138 0.000 0.862 166 A CB -0.906 18.203 19.000 0.181 0.000 0.852 166 A HN 0.650 nan 8.150 nan 0.000 0.484 167 L N 0.538 121.750 121.223 -0.019 0.000 2.479 167 L HA 0.163 4.503 4.340 -0.000 0.000 0.270 167 L C -1.786 175.107 176.870 0.039 0.000 1.236 167 L CA -1.485 53.328 54.840 -0.045 0.000 0.823 167 L CB 0.216 42.160 42.059 -0.191 0.000 1.098 167 L HN 0.166 nan 8.230 nan 0.000 0.500 168 P HA 0.106 nan 4.420 nan 0.000 0.276 168 P C -0.151 177.168 177.300 0.032 0.000 1.252 168 P CA -0.403 62.719 63.100 0.036 0.000 0.802 168 P CB 0.711 32.430 31.700 0.030 0.000 1.035 169 A N 1.236 124.069 122.820 0.023 0.000 1.940 169 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 169 A C 0.830 178.417 177.584 0.005 0.000 1.176 169 A CA 1.500 53.549 52.037 0.019 0.000 0.631 169 A CB -0.884 18.117 19.000 0.001 0.000 0.814 169 A HN 0.493 nan 8.150 nan 0.000 0.446 170 L N -1.461 119.749 121.223 -0.021 0.000 2.410 170 L HA 0.610 4.950 4.340 -0.000 0.000 0.270 170 L C 0.240 177.086 176.870 -0.040 0.000 0.983 170 L CA -0.844 53.968 54.840 -0.047 0.000 0.822 170 L CB 1.958 43.946 42.059 -0.117 0.000 1.285 170 L HN 0.219 nan 8.230 nan 0.000 0.409 171 A N 1.719 124.519 122.820 -0.034 0.000 2.386 171 A HA 0.183 4.503 4.320 -0.000 0.000 0.246 171 A C 1.040 178.610 177.584 -0.024 0.000 1.089 171 A CA -0.101 51.922 52.037 -0.023 0.000 0.790 171 A CB 0.307 19.293 19.000 -0.022 0.000 1.042 171 A HN 0.834 nan 8.150 nan 0.000 0.497 172 E N 0.453 120.649 120.200 -0.007 0.000 2.110 172 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 172 E C 2.098 178.704 176.600 0.010 0.000 0.988 172 E CA 1.478 57.878 56.400 0.000 0.000 0.804 172 E CB -0.225 29.484 29.700 0.014 0.000 0.745 172 E HN 0.577 nan 8.360 nan 0.000 0.458 173 K N 1.095 121.506 120.400 0.018 0.000 2.148 173 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 173 K C 1.346 177.975 176.600 0.048 0.000 1.050 173 K CA 1.340 57.655 56.287 0.046 0.000 0.942 173 K CB -0.391 32.132 32.500 0.039 0.000 0.724 173 K HN 0.110 nan 8.250 nan 0.000 0.446 174 D N 0.846 121.249 120.400 0.005 0.000 2.123 174 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 174 D C 1.819 178.087 176.300 -0.055 0.000 0.992 174 D CA 1.509 55.495 54.000 -0.023 0.000 0.833 174 D CB -0.125 40.647 40.800 -0.047 0.000 0.954 174 D HN 0.505 nan 8.370 nan 0.000 0.455 175 K N 0.223 120.568 120.400 -0.092 0.000 2.288 175 K HA -0.043 4.277 4.320 -0.000 0.000 0.201 175 K C 1.970 178.613 176.600 0.072 0.000 1.048 175 K CA 0.561 56.768 56.287 -0.133 0.000 0.956 175 K CB 0.130 32.517 32.500 -0.189 0.000 0.746 175 K HN 0.111 nan 8.250 nan 0.000 0.461 176 Q N 0.931 120.763 119.800 0.054 0.000 2.096 176 Q HA -0.093 4.247 4.340 -0.000 0.000 0.197 176 Q C 1.430 177.448 176.000 0.031 0.000 0.964 176 Q CA 1.264 57.115 55.803 0.081 0.000 0.838 176 Q CB -0.101 28.741 28.738 0.174 0.000 0.906 176 Q HN 0.329 nan 8.270 nan 0.000 0.444 177 D N 0.780 121.211 120.400 0.051 0.000 2.178 177 D HA -0.061 4.579 4.640 -0.000 0.000 0.202 177 D C 2.125 178.304 176.300 -0.201 0.000 0.974 177 D CA 0.457 54.388 54.000 -0.115 0.000 0.841 177 D CB -0.092 40.561 40.800 -0.245 0.000 0.953 177 D HN 0.169 nan 8.370 nan 0.000 0.478 178 L N 0.621 121.788 121.223 -0.094 0.000 2.042 178 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 178 L C 2.497 179.314 176.870 -0.088 0.000 1.076 178 L CA 0.909 55.724 54.840 -0.042 0.000 0.749 178 L CB -0.410 41.746 42.059 0.160 0.000 0.893 178 L HN 0.044 nan 8.230 nan 0.000 0.432 179 I N -0.850 119.632 120.570 -0.147 0.000 2.226 179 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 179 I C 2.559 178.569 176.117 -0.178 0.000 1.100 179 I CA 1.442 62.582 61.300 -0.266 0.000 1.374 179 I CB -0.423 37.353 38.000 -0.372 0.000 1.057 179 I HN 0.179 nan 8.210 nan 0.000 0.413 180 F N 2.166 121.894 119.950 -0.370 0.000 2.102 180 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 180 F C 2.358 178.005 175.800 -0.255 0.000 1.105 180 F CA 1.715 59.485 58.000 -0.385 0.000 1.239 180 F CB -0.846 37.747 39.000 -0.677 0.000 0.991 180 F HN -0.008 nan 8.300 nan 0.000 0.474 181 G N -0.271 108.437 108.800 -0.153 0.000 2.469 181 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.219 181 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.219 181 G C 1.666 176.434 174.900 -0.219 0.000 1.150 181 G CA 1.265 46.238 45.100 -0.211 0.000 0.763 181 G HN 0.548 nan 8.290 nan 0.000 0.561 182 C N 0.022 119.219 119.300 -0.172 0.000 2.476 182 C HA 0.077 4.537 4.460 -0.000 0.000 0.278 182 C C 2.747 177.640 174.990 -0.161 0.000 1.274 182 C CA 0.890 59.831 59.018 -0.129 0.000 1.713 182 C CB -0.838 26.862 27.740 -0.067 0.000 2.039 182 C HN 0.583 nan 8.230 nan 0.000 0.484 183 E N 0.407 120.486 120.200 -0.202 0.000 2.058 183 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 183 E C 2.197 178.640 176.600 -0.261 0.000 0.997 183 E CA 1.174 57.449 56.400 -0.208 0.000 0.801 183 E CB -0.166 29.395 29.700 -0.232 0.000 0.746 183 E HN 0.606 nan 8.360 nan 0.000 0.450 184 Q N -0.650 118.904 119.800 -0.410 0.000 2.472 184 Q HA 0.013 4.353 4.340 -0.000 0.000 0.208 184 Q C 0.855 176.711 176.000 -0.240 0.000 0.958 184 Q CA 0.854 56.427 55.803 -0.383 0.000 0.932 184 Q CB 0.399 28.798 28.738 -0.565 0.000 1.007 184 Q HN 0.391 nan 8.270 nan 0.000 0.508 185 G N 1.866 110.547 108.800 -0.198 0.000 2.359 185 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.298 185 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.298 185 G C 0.380 175.185 174.900 -0.157 0.000 1.030 185 G CA 0.391 45.398 45.100 -0.154 0.000 1.149 185 G HN 0.299 nan 8.290 nan 0.000 0.512 186 V N -2.750 117.074 119.914 -0.150 0.000 3.214 186 V HA 0.563 4.683 4.120 -0.000 0.000 0.306 186 V C 1.228 177.222 176.094 -0.166 0.000 1.078 186 V CA 0.311 62.538 62.300 -0.123 0.000 1.077 186 V CB 1.143 32.926 31.823 -0.067 0.000 1.121 186 V HN 0.153 nan 8.190 nan 0.000 0.468 187 D N -0.088 120.189 120.400 -0.204 0.000 2.162 187 D HA 0.159 4.799 4.640 -0.000 0.000 0.205 187 D C 0.070 175.939 176.300 -0.718 0.000 0.964 187 D CA 1.620 55.337 54.000 -0.473 0.000 0.847 187 D CB 0.111 40.597 40.800 -0.523 0.000 0.988 187 D HN 0.534 nan 8.370 nan 0.000 0.480 188 F N -0.552 119.400 119.950 0.004 0.000 2.613 188 F HA 0.437 4.964 4.527 -0.000 0.000 0.314 188 F C -0.322 175.490 175.800 0.020 0.000 1.075 188 F CA -1.125 56.899 58.000 0.039 0.000 0.945 188 F CB 2.067 41.100 39.000 0.055 0.000 1.310 188 F HN -0.460 nan 8.300 nan 0.000 0.467 189 V N 1.811 121.866 119.914 0.236 0.000 2.483 189 V HA 0.706 4.826 4.120 -0.000 0.000 0.297 189 V C -0.606 175.561 176.094 0.122 0.000 1.027 189 V CA -0.935 61.434 62.300 0.115 0.000 0.855 189 V CB 1.543 33.409 31.823 0.072 0.000 0.995 189 V HN 0.891 nan 8.190 nan 0.000 0.424 190 A N 4.494 127.369 122.820 0.091 0.000 2.294 190 A HA 0.795 5.115 4.320 -0.000 0.000 0.316 190 A C 0.569 178.183 177.584 0.049 0.000 1.359 190 A CA -0.097 51.977 52.037 0.062 0.000 0.956 190 A CB 0.341 19.368 19.000 0.045 0.000 1.155 190 A HN 1.269 nan 8.150 nan 0.000 0.544 191 A N 3.030 125.875 122.820 0.041 0.000 2.488 191 A HA 0.515 4.835 4.320 -0.000 0.000 0.249 191 A C 0.764 178.376 177.584 0.047 0.000 1.083 191 A CA 0.022 52.080 52.037 0.035 0.000 0.768 191 A CB -0.007 19.007 19.000 0.024 0.000 1.017 191 A HN 0.761 nan 8.150 nan 0.000 0.496 192 S N 1.037 116.774 115.700 0.062 0.000 2.584 192 S HA 0.441 4.911 4.470 -0.000 0.000 0.273 192 S C -0.004 174.709 174.600 0.187 0.000 1.311 192 S CA -0.066 58.196 58.200 0.103 0.000 1.034 192 S CB -0.068 63.183 63.200 0.085 0.000 0.939 192 S HN 1.147 nan 8.310 nan 0.000 0.513 193 F N 1.919 121.861 119.950 -0.013 0.000 2.866 193 F HA -0.168 4.359 4.527 -0.000 0.000 0.254 193 F C -0.423 175.365 175.800 -0.020 0.000 1.009 193 F CA -0.139 57.850 58.000 -0.019 0.000 0.907 193 F CB -0.952 38.029 39.000 -0.033 0.000 0.859 193 F HN 0.400 nan 8.300 nan 0.000 0.842 194 I N 2.741 123.268 120.570 -0.072 0.000 2.436 194 I HA 0.013 4.183 4.170 -0.000 0.000 0.289 194 I C 1.328 177.328 176.117 -0.194 0.000 1.083 194 I CA 0.313 61.552 61.300 -0.102 0.000 1.372 194 I CB 1.038 39.002 38.000 -0.059 0.000 1.408 194 I HN 0.340 nan 8.210 nan 0.000 0.516 195 R N 4.964 125.359 120.500 -0.175 0.000 2.250 195 R HA 0.172 4.512 4.340 -0.000 0.000 0.194 195 R C -0.244 175.991 176.300 -0.108 0.000 0.927 195 R CA 0.399 56.388 56.100 -0.185 0.000 1.052 195 R CB 0.323 30.491 30.300 -0.219 0.000 1.055 195 R HN 0.618 nan 8.270 nan 0.000 0.537 196 K N -1.423 118.929 120.400 -0.080 0.000 2.587 196 K HA 0.313 4.633 4.320 -0.000 0.000 0.276 196 K C -0.381 176.186 176.600 -0.054 0.000 0.956 196 K CA -0.931 55.321 56.287 -0.059 0.000 0.857 196 K CB 1.487 33.961 32.500 -0.043 0.000 1.431 196 K HN -0.253 nan 8.250 nan 0.000 0.420 197 R N 1.019 121.486 120.500 -0.054 0.000 2.178 197 R HA -0.246 4.094 4.340 -0.000 0.000 0.257 197 R C 1.652 177.929 176.300 -0.037 0.000 1.163 197 R CA 2.908 58.977 56.100 -0.052 0.000 0.981 197 R CB -0.480 29.793 30.300 -0.044 0.000 0.878 197 R HN 0.845 nan 8.270 nan 0.000 0.454 198 S N -0.095 115.588 115.700 -0.027 0.000 2.419 198 S HA -0.120 4.350 4.470 -0.000 0.000 0.233 198 S C 1.241 175.832 174.600 -0.015 0.000 1.016 198 S CA 1.350 59.540 58.200 -0.016 0.000 0.974 198 S CB -0.085 63.110 63.200 -0.009 0.000 0.786 198 S HN 0.302 nan 8.310 nan 0.000 0.492 199 D N 1.892 122.279 120.400 -0.022 0.000 2.097 199 D HA -0.032 4.608 4.640 -0.000 0.000 0.197 199 D C 2.154 178.445 176.300 -0.016 0.000 0.984 199 D CA 1.171 55.161 54.000 -0.016 0.000 0.826 199 D CB -0.709 40.077 40.800 -0.024 0.000 0.973 199 D HN 0.343 nan 8.370 nan 0.000 0.460 200 V N 1.521 121.418 119.914 -0.028 0.000 2.392 200 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 200 V C 2.335 178.422 176.094 -0.011 0.000 1.059 200 V CA 0.971 63.256 62.300 -0.025 0.000 1.051 200 V CB -0.312 31.483 31.823 -0.047 0.000 0.658 200 V HN 0.185 nan 8.190 nan 0.000 0.455 201 I N 0.098 120.661 120.570 -0.012 0.000 2.394 201 I HA -0.167 4.003 4.170 -0.000 0.000 0.251 201 I C 2.450 178.576 176.117 0.015 0.000 1.136 201 I CA 1.270 62.569 61.300 -0.002 0.000 1.425 201 I CB -1.258 36.739 38.000 -0.006 0.000 1.079 201 I HN 0.484 nan 8.210 nan 0.000 0.425 202 E N 0.804 121.012 120.200 0.014 0.000 2.047 202 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 202 E C 2.389 179.020 176.600 0.052 0.000 0.987 202 E CA 1.064 57.481 56.400 0.028 0.000 0.799 202 E CB -0.050 29.657 29.700 0.011 0.000 0.752 202 E HN 0.403 nan 8.360 nan 0.000 0.449 203 I N 0.872 121.464 120.570 0.036 0.000 2.118 203 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 203 I C 2.704 178.877 176.117 0.093 0.000 1.070 203 I CA 1.182 62.519 61.300 0.061 0.000 1.327 203 I CB -0.322 37.698 38.000 0.033 0.000 1.034 203 I HN 0.040 nan 8.210 nan 0.000 0.405 204 R N 1.575 122.107 120.500 0.054 0.000 2.088 204 R HA -0.211 4.129 4.340 -0.000 0.000 0.232 204 R C 2.096 178.429 176.300 0.054 0.000 1.136 204 R CA 1.936 58.061 56.100 0.043 0.000 0.926 204 R CB -0.596 29.715 30.300 0.018 0.000 0.837 204 R HN 0.342 nan 8.270 nan 0.000 0.429 205 E N -1.443 118.789 120.200 0.052 0.000 2.208 205 E HA -0.303 4.047 4.350 -0.000 0.000 0.202 205 E C 1.850 178.496 176.600 0.077 0.000 1.014 205 E CA 1.766 58.197 56.400 0.052 0.000 0.819 205 E CB -0.260 29.469 29.700 0.049 0.000 0.735 205 E HN 0.528 nan 8.360 nan 0.000 0.469 206 H N 0.181 119.269 119.070 0.030 0.000 2.343 206 H HA 0.056 4.612 4.556 -0.000 0.000 0.303 206 H C 1.915 177.310 175.328 0.110 0.000 1.068 206 H CA 1.105 57.201 56.048 0.080 0.000 1.359 206 H CB 0.008 29.819 29.762 0.081 0.000 1.402 206 H HN 0.023 nan 8.280 nan 0.000 0.515 207 L N 0.241 121.531 121.223 0.112 0.000 2.131 207 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 207 L C 2.516 179.374 176.870 -0.020 0.000 1.092 207 L CA 1.430 56.292 54.840 0.037 0.000 0.759 207 L CB -0.350 41.737 42.059 0.047 0.000 0.903 207 L HN 0.265 nan 8.230 nan 0.000 0.435 208 K N 0.711 121.094 120.400 -0.028 0.000 2.155 208 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 208 K C 2.076 178.599 176.600 -0.128 0.000 1.052 208 K CA 1.023 57.275 56.287 -0.058 0.000 0.948 208 K CB 0.014 32.490 32.500 -0.040 0.000 0.728 208 K HN 0.258 nan 8.250 nan 0.000 0.448 209 A N 0.077 122.773 122.820 -0.208 0.000 2.119 209 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 209 A C 0.931 178.134 177.584 -0.636 0.000 1.153 209 A CA 1.113 52.911 52.037 -0.398 0.000 0.692 209 A CB -0.518 18.201 19.000 -0.469 0.000 0.799 209 A HN 0.433 nan 8.150 nan 0.000 0.458 210 H N -1.999 116.968 119.070 -0.173 0.000 2.551 210 H HA 0.372 4.928 4.556 -0.000 0.000 0.271 210 H C 1.507 176.768 175.328 -0.112 0.000 0.984 210 H CA 0.575 56.527 56.048 -0.161 0.000 1.164 210 H CB 0.541 30.172 29.762 -0.218 0.000 1.437 210 H HN 0.543 nan 8.280 nan 0.000 0.550 211 G N 0.085 108.854 108.800 -0.051 0.000 2.175 211 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 211 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 211 G C 1.386 176.263 174.900 -0.039 0.000 0.982 211 G CA 0.157 45.229 45.100 -0.046 0.000 0.641 211 G HN 0.591 nan 8.290 nan 0.000 0.527 212 G N 1.071 109.854 108.800 -0.029 0.000 3.061 212 G HA2 0.264 4.224 3.960 -0.000 0.000 0.208 212 G HA3 0.264 4.224 3.960 -0.000 0.000 0.208 212 G C 1.419 176.307 174.900 -0.020 0.000 1.175 212 G CA 1.268 46.352 45.100 -0.027 0.000 0.812 212 G HN 0.793 nan 8.290 nan 0.000 0.523 213 E N 1.829 122.015 120.200 -0.023 0.000 2.169 213 E HA -0.247 4.103 4.350 -0.000 0.000 0.202 213 E C 0.964 177.566 176.600 0.003 0.000 1.016 213 E CA 1.213 57.606 56.400 -0.012 0.000 0.817 213 E CB -0.602 29.088 29.700 -0.018 0.000 0.736 213 E HN 0.410 nan 8.360 nan 0.000 0.462 214 N N 0.692 119.384 118.700 -0.013 0.000 2.276 214 N HA 0.186 4.926 4.740 -0.000 0.000 0.212 214 N C 0.065 175.554 175.510 -0.036 0.000 1.127 214 N CA 0.020 53.062 53.050 -0.013 0.000 0.834 214 N CB 0.511 38.969 38.487 -0.049 0.000 1.014 214 N HN 0.271 nan 8.380 nan 0.000 0.491 215 I N 1.326 121.889 120.570 -0.012 0.000 2.352 215 I HA 0.045 4.215 4.170 -0.000 0.000 0.290 215 I C 0.623 176.808 176.117 0.113 0.000 1.036 215 I CA -0.324 60.956 61.300 -0.033 0.000 1.336 215 I CB 0.418 38.403 38.000 -0.025 0.000 1.407 215 I HN -0.061 nan 8.210 nan 0.000 0.497 216 H N 6.807 125.820 119.070 -0.095 0.000 2.848 216 H HA 0.303 4.859 4.556 -0.000 0.000 0.317 216 H C -0.149 175.302 175.328 0.205 0.000 1.046 216 H CA -0.517 55.593 56.048 0.104 0.000 1.470 216 H CB 1.016 30.956 29.762 0.297 0.000 1.483 216 H HN 0.416 nan 8.280 nan 0.000 0.548 217 I N 5.512 126.193 120.570 0.185 0.000 2.312 217 I HA 0.043 4.213 4.170 -0.000 0.000 0.291 217 I C -0.074 176.097 176.117 0.090 0.000 1.031 217 I CA -0.379 60.996 61.300 0.125 0.000 1.293 217 I CB 0.799 38.831 38.000 0.052 0.000 1.403 217 I HN 0.398 nan 8.210 nan 0.000 0.484 218 I N 5.641 126.267 120.570 0.094 0.000 2.297 218 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 218 I C 0.466 176.584 176.117 0.002 0.000 1.033 218 I CA -0.049 61.264 61.300 0.021 0.000 1.253 218 I CB 0.950 38.940 38.000 -0.017 0.000 1.396 218 I HN 0.468 nan 8.210 nan 0.000 0.476 219 S N 6.754 122.438 115.700 -0.026 0.000 2.510 219 S HA 0.209 4.679 4.470 -0.000 0.000 0.279 219 S C 0.285 174.882 174.600 -0.006 0.000 1.284 219 S CA -0.457 57.726 58.200 -0.029 0.000 1.059 219 S CB 0.411 63.564 63.200 -0.078 0.000 0.901 219 S HN 0.376 nan 8.310 nan 0.000 0.491 220 K N 3.019 123.426 120.400 0.012 0.000 2.262 220 K HA 0.337 4.657 4.320 -0.000 0.000 0.282 220 K C -0.628 175.987 176.600 0.026 0.000 1.066 220 K CA -0.413 55.893 56.287 0.032 0.000 0.901 220 K CB 0.630 33.162 32.500 0.052 0.000 1.089 220 K HN 0.418 nan 8.250 nan 0.000 0.476 221 I N 4.045 124.640 120.570 0.041 0.000 2.291 221 I HA 0.068 4.238 4.170 -0.000 0.000 0.292 221 I C 0.504 176.641 176.117 0.033 0.000 1.064 221 I CA 0.279 61.604 61.300 0.042 0.000 1.269 221 I CB 0.568 38.642 38.000 0.124 0.000 1.418 221 I HN 0.765 nan 8.210 nan 0.000 0.485 222 E N 4.543 124.744 120.200 0.001 0.000 2.601 222 E HA 0.096 4.446 4.350 -0.000 0.000 0.219 222 E C -0.209 176.395 176.600 0.007 0.000 0.964 222 E CA -0.150 56.276 56.400 0.044 0.000 1.050 222 E CB 0.656 30.458 29.700 0.170 0.000 1.068 222 E HN 0.735 nan 8.360 nan 0.000 0.496 223 N N -0.539 118.114 118.700 -0.078 0.000 3.116 223 N HA -0.045 4.695 4.740 -0.000 0.000 0.244 223 N C 0.338 175.808 175.510 -0.066 0.000 1.485 223 N CA -0.534 52.478 53.050 -0.062 0.000 0.884 223 N CB 0.970 39.383 38.487 -0.124 0.000 1.415 223 N HN -0.214 nan 8.380 nan 0.000 0.524 224 Q N 0.272 120.049 119.800 -0.039 0.000 2.135 224 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 224 Q C 1.445 177.418 176.000 -0.045 0.000 0.981 224 Q CA 2.268 58.054 55.803 -0.029 0.000 0.856 224 Q CB -0.132 28.597 28.738 -0.015 0.000 0.902 224 Q HN 0.755 nan 8.270 nan 0.000 0.425 225 E N -1.607 118.544 120.200 -0.082 0.000 2.110 225 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 225 E C 1.727 178.278 176.600 -0.082 0.000 0.988 225 E CA 1.044 57.395 56.400 -0.082 0.000 0.804 225 E CB -0.380 29.254 29.700 -0.110 0.000 0.745 225 E HN 0.536 nan 8.360 nan 0.000 0.458 226 G N 1.082 109.809 108.800 -0.123 0.000 2.394 226 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.214 226 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.214 226 G C 1.458 176.366 174.900 0.014 0.000 1.176 226 G CA 0.506 45.550 45.100 -0.092 0.000 0.786 226 G HN 0.267 nan 8.290 nan 0.000 0.533 227 L N 1.243 122.474 121.223 0.013 0.000 2.191 227 L HA 0.030 4.370 4.340 -0.000 0.000 0.212 227 L C 2.194 179.108 176.870 0.073 0.000 1.103 227 L CA 1.373 56.252 54.840 0.064 0.000 0.769 227 L CB -0.515 41.554 42.059 0.017 0.000 0.908 227 L HN 0.080 nan 8.230 nan 0.000 0.438 228 N N -0.060 118.661 118.700 0.034 0.000 2.171 228 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 228 N C 1.081 176.624 175.510 0.057 0.000 1.021 228 N CA 1.217 54.287 53.050 0.033 0.000 0.854 228 N CB -0.452 38.039 38.487 0.007 0.000 0.994 228 N HN 0.391 nan 8.380 nan 0.000 0.426 229 N N 0.558 119.284 118.700 0.042 0.000 2.370 229 N HA -0.007 4.733 4.740 -0.000 0.000 0.198 229 N C 1.099 176.639 175.510 0.051 0.000 1.156 229 N CA -0.213 52.854 53.050 0.028 0.000 0.839 229 N CB -0.308 38.168 38.487 -0.019 0.000 0.989 229 N HN 0.175 nan 8.380 nan 0.000 0.468 230 F N 2.778 122.707 119.950 -0.035 0.000 2.039 230 F HA -0.344 4.183 4.527 -0.000 0.000 0.296 230 F C 1.625 177.411 175.800 -0.025 0.000 1.119 230 F CA 1.957 59.939 58.000 -0.031 0.000 1.211 230 F CB -0.125 38.860 39.000 -0.024 0.000 0.956 230 F HN -0.015 nan 8.300 nan 0.000 0.496 231 D N 0.165 120.709 120.400 0.240 0.000 2.133 231 D HA -0.279 4.361 4.640 -0.000 0.000 0.192 231 D C 2.157 178.408 176.300 -0.082 0.000 1.001 231 D CA 2.059 56.120 54.000 0.103 0.000 0.844 231 D CB -0.802 40.073 40.800 0.125 0.000 0.944 231 D HN 0.755 nan 8.370 nan 0.000 0.447 232 E N 0.308 120.470 120.200 -0.063 0.000 2.204 232 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 232 E C 2.266 178.785 176.600 -0.135 0.000 0.989 232 E CA 0.584 56.936 56.400 -0.080 0.000 0.824 232 E CB -0.356 29.316 29.700 -0.047 0.000 0.756 232 E HN 0.288 nan 8.360 nan 0.000 0.477 233 I N 0.724 121.173 120.570 -0.203 0.000 2.193 233 I HA -0.201 3.969 4.170 -0.000 0.000 0.240 233 I C 2.496 178.424 176.117 -0.315 0.000 1.084 233 I CA 0.611 61.767 61.300 -0.240 0.000 1.365 233 I CB -0.185 37.668 38.000 -0.244 0.000 1.064 233 I HN 0.170 nan 8.210 nan 0.000 0.410 234 L N 0.877 121.777 121.223 -0.538 0.000 2.043 234 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 234 L C 2.440 179.171 176.870 -0.233 0.000 1.075 234 L CA 1.965 56.523 54.840 -0.469 0.000 0.752 234 L CB -0.849 40.860 42.059 -0.584 0.000 0.891 234 L HN 0.242 nan 8.230 nan 0.000 0.432 235 E N 0.157 120.248 120.200 -0.181 0.000 2.058 235 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 235 E C 1.988 178.530 176.600 -0.097 0.000 0.997 235 E CA 1.647 57.983 56.400 -0.107 0.000 0.801 235 E CB -0.206 29.448 29.700 -0.077 0.000 0.746 235 E HN 0.639 nan 8.360 nan 0.000 0.450 236 A N 0.258 123.017 122.820 -0.103 0.000 2.123 236 A HA 0.072 4.392 4.320 -0.000 0.000 0.214 236 A C 1.639 179.171 177.584 -0.087 0.000 1.152 236 A CA 0.383 52.371 52.037 -0.082 0.000 0.728 236 A CB 0.056 19.014 19.000 -0.071 0.000 0.814 236 A HN 0.161 nan 8.150 nan 0.000 0.464 237 S N -0.248 115.385 115.700 -0.111 0.000 2.671 237 S HA 0.241 4.711 4.470 -0.000 0.000 0.272 237 S C 0.229 174.759 174.600 -0.116 0.000 1.174 237 S CA -0.343 57.797 58.200 -0.100 0.000 1.004 237 S CB 0.514 63.642 63.200 -0.120 0.000 1.077 237 S HN 0.450 nan 8.310 nan 0.000 0.553 238 D N -0.098 120.230 120.400 -0.120 0.000 2.417 238 D HA 0.311 4.951 4.640 -0.000 0.000 0.207 238 D C 0.660 176.892 176.300 -0.113 0.000 1.075 238 D CA 0.328 54.212 54.000 -0.194 0.000 0.851 238 D CB 0.841 41.401 40.800 -0.401 0.000 0.976 238 D HN 0.596 nan 8.370 nan 0.000 0.505 239 G N 0.198 108.950 108.800 -0.080 0.000 2.340 239 G HA2 0.412 4.372 3.960 -0.000 0.000 0.299 239 G HA3 0.412 4.372 3.960 -0.000 0.000 0.299 239 G C -1.875 172.989 174.900 -0.060 0.000 1.291 239 G CA -0.563 44.501 45.100 -0.061 0.000 0.841 239 G HN -0.066 nan 8.290 nan 0.000 0.500 240 I N -0.071 120.479 120.570 -0.033 0.000 3.195 240 I HA 0.653 4.823 4.170 -0.000 0.000 0.313 240 I C -0.681 175.439 176.117 0.005 0.000 1.237 240 I CA -0.808 60.490 61.300 -0.003 0.000 0.963 240 I CB 2.198 40.247 38.000 0.081 0.000 1.278 240 I HN 0.751 nan 8.210 nan 0.000 0.460 241 M N 3.435 123.050 119.600 0.024 0.000 2.213 241 M HA 0.471 4.951 4.480 -0.000 0.000 0.286 241 M C -1.809 174.516 176.300 0.043 0.000 1.008 241 M CA -0.633 54.678 55.300 0.017 0.000 0.937 241 M CB 1.769 34.372 32.600 0.006 0.000 1.600 241 M HN 0.227 nan 8.290 nan 0.000 0.450 242 V N 4.593 124.530 119.914 0.038 0.000 2.389 242 V HA 0.415 4.535 4.120 -0.000 0.000 0.264 242 V C 0.498 176.608 176.094 0.027 0.000 1.049 242 V CA -0.377 61.945 62.300 0.037 0.000 0.932 242 V CB 0.520 32.354 31.823 0.018 0.000 1.011 242 V HN 0.856 nan 8.190 nan 0.000 0.475 243 A N 6.271 129.111 122.820 0.034 0.000 2.774 243 A HA 0.395 4.715 4.320 -0.000 0.000 0.326 243 A C 1.484 179.085 177.584 0.028 0.000 1.478 243 A CA -0.519 51.539 52.037 0.035 0.000 1.099 243 A CB -0.123 18.907 19.000 0.050 0.000 1.148 243 A HN 0.735 nan 8.150 nan 0.000 0.519 244 R N 1.790 122.300 120.500 0.016 0.000 2.122 244 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 244 R C 2.324 178.632 176.300 0.014 0.000 1.129 244 R CA 2.096 58.200 56.100 0.008 0.000 0.925 244 R CB -1.000 29.298 30.300 -0.004 0.000 0.850 244 R HN 0.727 nan 8.270 nan 0.000 0.431 245 G N 1.708 110.518 108.800 0.018 0.000 2.491 245 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 245 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 245 G C 1.074 175.992 174.900 0.030 0.000 1.180 245 G CA 1.056 46.168 45.100 0.020 0.000 0.774 245 G HN 0.317 nan 8.290 nan 0.000 0.562 246 D N 0.303 120.727 120.400 0.041 0.000 2.158 246 D HA -0.089 4.551 4.640 -0.000 0.000 0.197 246 D C 2.557 178.893 176.300 0.061 0.000 0.995 246 D CA 0.650 54.685 54.000 0.060 0.000 0.846 246 D CB -0.057 40.792 40.800 0.082 0.000 0.941 246 D HN 0.289 nan 8.370 nan 0.000 0.456 247 L N 0.526 121.776 121.223 0.044 0.000 2.095 247 L HA -0.026 4.314 4.340 -0.000 0.000 0.204 247 L C 2.646 179.534 176.870 0.029 0.000 1.080 247 L CA 0.999 55.860 54.840 0.035 0.000 0.759 247 L CB -0.577 41.495 42.059 0.022 0.000 0.914 247 L HN 0.055 nan 8.230 nan 0.000 0.439 248 G N -0.491 108.323 108.800 0.023 0.000 2.475 248 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 248 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 248 G C 1.552 176.467 174.900 0.024 0.000 1.125 248 G CA 1.025 46.136 45.100 0.019 0.000 0.755 248 G HN 0.225 nan 8.290 nan 0.000 0.565 249 V N 0.492 120.424 119.914 0.031 0.000 2.379 249 V HA -0.075 4.045 4.120 -0.000 0.000 0.245 249 V C 2.507 178.624 176.094 0.038 0.000 1.044 249 V CA 1.810 64.130 62.300 0.033 0.000 1.036 249 V CB -0.204 31.643 31.823 0.040 0.000 0.664 249 V HN 0.439 nan 8.190 nan 0.000 0.453 250 E N 0.192 120.420 120.200 0.045 0.000 2.481 250 E HA 0.175 4.525 4.350 -0.000 0.000 0.195 250 E C 0.444 177.062 176.600 0.030 0.000 1.047 250 E CA 0.407 56.834 56.400 0.045 0.000 0.867 250 E CB 0.359 30.099 29.700 0.067 0.000 0.858 250 E HN 0.733 nan 8.360 nan 0.000 0.513 251 I N -3.645 116.940 120.570 0.025 0.000 3.181 251 I HA 0.438 4.608 4.170 -0.000 0.000 0.311 251 I C -2.969 173.161 176.117 0.022 0.000 1.287 251 I CA -2.952 58.361 61.300 0.020 0.000 0.958 251 I CB 1.782 39.793 38.000 0.018 0.000 1.294 251 I HN -0.382 nan 8.210 nan 0.000 0.467 252 P HA 0.020 nan 4.420 nan 0.000 0.262 252 P C 1.199 178.517 177.300 0.030 0.000 1.182 252 P CA -0.180 62.935 63.100 0.025 0.000 0.761 252 P CB 0.720 32.435 31.700 0.026 0.000 0.795 253 V N 2.601 122.531 119.914 0.027 0.000 2.324 253 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 253 V C 1.869 177.988 176.094 0.042 0.000 1.060 253 V CA 2.111 64.427 62.300 0.026 0.000 1.042 253 V CB -1.369 30.467 31.823 0.022 0.000 0.650 253 V HN 0.603 nan 8.190 nan 0.000 0.450 254 E N 0.614 120.850 120.200 0.060 0.000 2.409 254 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 254 E C 1.686 178.390 176.600 0.173 0.000 1.024 254 E CA 1.369 57.834 56.400 0.109 0.000 0.861 254 E CB -0.382 29.381 29.700 0.105 0.000 0.788 254 E HN 0.716 nan 8.360 nan 0.000 0.521 255 E N 0.789 121.057 120.200 0.113 0.000 2.276 255 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 255 E C 2.345 179.004 176.600 0.098 0.000 0.983 255 E CA 0.514 56.992 56.400 0.131 0.000 0.861 255 E CB -0.017 29.724 29.700 0.069 0.000 0.817 255 E HN 0.160 nan 8.360 nan 0.000 0.485 256 V N 1.889 121.827 119.914 0.040 0.000 2.255 256 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 256 V C 2.438 178.498 176.094 -0.056 0.000 1.051 256 V CA 1.651 63.949 62.300 -0.004 0.000 1.018 256 V CB -0.512 31.302 31.823 -0.014 0.000 0.641 256 V HN 0.177 nan 8.190 nan 0.000 0.445 257 I N -0.538 119.949 120.570 -0.138 0.000 2.423 257 I HA -0.210 3.960 4.170 -0.000 0.000 0.254 257 I C 1.911 177.800 176.117 -0.379 0.000 1.151 257 I CA 1.655 62.777 61.300 -0.296 0.000 1.421 257 I CB -0.424 37.325 38.000 -0.417 0.000 1.079 257 I HN 0.224 nan 8.210 nan 0.000 0.431 258 F N -0.121 119.805 119.950 -0.040 0.000 2.569 258 F HA 0.196 4.723 4.527 -0.000 0.000 0.295 258 F C 2.384 178.138 175.800 -0.075 0.000 1.115 258 F CA 0.755 58.724 58.000 -0.052 0.000 1.450 258 F CB -1.047 37.926 39.000 -0.045 0.000 1.107 258 F HN 0.047 nan 8.300 nan 0.000 0.563 259 A N -0.042 122.807 122.820 0.048 0.000 1.897 259 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 259 A C 2.200 179.733 177.584 -0.084 0.000 1.181 259 A CA 1.567 53.585 52.037 -0.032 0.000 0.620 259 A CB -0.884 18.099 19.000 -0.029 0.000 0.821 259 A HN 0.428 nan 8.150 nan 0.000 0.443 260 Q N 0.124 119.883 119.800 -0.070 0.000 2.014 260 Q HA -0.281 4.059 4.340 -0.000 0.000 0.207 260 Q C 1.926 177.879 176.000 -0.078 0.000 0.993 260 Q CA 2.333 58.092 55.803 -0.074 0.000 0.850 260 Q CB -0.270 28.423 28.738 -0.075 0.000 0.916 260 Q HN 0.611 nan 8.270 nan 0.000 0.417 261 K N -0.176 120.182 120.400 -0.069 0.000 2.113 261 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 261 K C 2.176 178.750 176.600 -0.042 0.000 1.047 261 K CA 1.634 57.898 56.287 -0.038 0.000 0.928 261 K CB -0.224 32.272 32.500 -0.006 0.000 0.716 261 K HN 0.381 nan 8.250 nan 0.000 0.446 262 M N 0.472 120.027 119.600 -0.075 0.000 2.156 262 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 262 M C 1.855 177.999 176.300 -0.260 0.000 1.067 262 M CA 1.680 56.895 55.300 -0.142 0.000 1.131 262 M CB -0.229 32.282 32.600 -0.150 0.000 1.368 262 M HN 0.187 nan 8.290 nan 0.000 0.416 263 M N -0.052 119.331 119.600 -0.363 0.000 2.086 263 M HA -0.219 4.261 4.480 -0.000 0.000 0.261 263 M C 2.145 178.408 176.300 -0.062 0.000 1.067 263 M CA 1.582 56.615 55.300 -0.445 0.000 1.116 263 M CB -0.523 31.889 32.600 -0.315 0.000 1.348 263 M HN 0.240 nan 8.290 nan 0.000 0.407 264 I N -0.076 120.476 120.570 -0.031 0.000 2.226 264 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 264 I C 2.589 178.734 176.117 0.046 0.000 1.100 264 I CA 1.526 62.844 61.300 0.030 0.000 1.374 264 I CB -0.580 37.435 38.000 0.025 0.000 1.057 264 I HN 0.440 nan 8.210 nan 0.000 0.413 265 E N 1.804 122.016 120.200 0.020 0.000 2.028 265 E HA -0.239 4.111 4.350 -0.000 0.000 0.191 265 E C 2.132 178.761 176.600 0.048 0.000 0.988 265 E CA 1.227 57.649 56.400 0.037 0.000 0.799 265 E CB 0.042 29.749 29.700 0.012 0.000 0.755 265 E HN 0.411 nan 8.360 nan 0.000 0.447 266 K N 0.261 120.686 120.400 0.041 0.000 2.009 266 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 266 K C 2.447 179.129 176.600 0.136 0.000 1.049 266 K CA 1.730 58.080 56.287 0.106 0.000 0.929 266 K CB -0.484 32.124 32.500 0.180 0.000 0.714 266 K HN 0.276 nan 8.250 nan 0.000 0.440 267 C N 1.242 120.647 119.300 0.176 0.000 2.401 267 C HA -0.144 4.316 4.460 -0.000 0.000 0.276 267 C C 2.646 177.665 174.990 0.049 0.000 1.233 267 C CA 0.531 59.621 59.018 0.120 0.000 1.753 267 C CB -0.935 26.876 27.740 0.117 0.000 2.029 267 C HN 0.388 nan 8.230 nan 0.000 0.478 268 I N 0.449 121.045 120.570 0.043 0.000 2.058 268 I HA -0.258 3.912 4.170 -0.000 0.000 0.235 268 I C 2.781 178.882 176.117 -0.027 0.000 1.053 268 I CA 1.727 63.028 61.300 0.002 0.000 1.313 268 I CB -0.756 37.283 38.000 0.064 0.000 1.039 268 I HN 0.286 nan 8.210 nan 0.000 0.396 269 R N 0.685 121.186 120.500 0.002 0.000 2.154 269 R HA -0.191 4.149 4.340 -0.000 0.000 0.248 269 R C 2.119 178.415 176.300 -0.006 0.000 1.155 269 R CA 1.558 57.654 56.100 -0.006 0.000 0.979 269 R CB -0.433 29.882 30.300 0.026 0.000 0.869 269 R HN 0.461 nan 8.270 nan 0.000 0.452 270 A N 0.284 123.109 122.820 0.009 0.000 2.238 270 A HA 0.015 4.335 4.320 -0.000 0.000 0.208 270 A C 0.536 178.110 177.584 -0.017 0.000 1.177 270 A CA 0.177 52.216 52.037 0.004 0.000 0.804 270 A CB -0.052 18.956 19.000 0.015 0.000 0.823 270 A HN 0.325 nan 8.150 nan 0.000 0.482 271 R N -1.696 118.782 120.500 -0.037 0.000 3.651 271 R HA -0.146 4.194 4.340 -0.000 0.000 0.292 271 R C -0.715 175.566 176.300 -0.031 0.000 1.161 271 R CA 1.395 57.467 56.100 -0.047 0.000 0.787 271 R CB -1.840 28.439 30.300 -0.033 0.000 1.249 271 R HN 0.564 nan 8.270 nan 0.000 0.476 272 K N -0.012 120.372 120.400 -0.028 0.000 2.435 272 K HA 0.454 4.774 4.320 -0.000 0.000 0.251 272 K C 0.028 176.616 176.600 -0.020 0.000 0.954 272 K CA -0.729 55.543 56.287 -0.024 0.000 0.820 272 K CB 2.406 34.886 32.500 -0.034 0.000 1.292 272 K HN 0.006 nan 8.250 nan 0.000 0.436 273 V N -0.650 119.252 119.914 -0.021 0.000 2.715 273 V HA 0.433 4.553 4.120 -0.000 0.000 0.299 273 V C -0.166 175.903 176.094 -0.041 0.000 1.054 273 V CA -0.543 61.734 62.300 -0.039 0.000 1.077 273 V CB 1.212 32.993 31.823 -0.069 0.000 0.972 273 V HN 0.462 nan 8.190 nan 0.000 0.484 274 V N 6.137 126.029 119.914 -0.037 0.000 2.612 274 V HA 0.545 4.665 4.120 -0.000 0.000 0.301 274 V C -0.504 175.573 176.094 -0.028 0.000 1.059 274 V CA -0.436 61.854 62.300 -0.016 0.000 0.886 274 V CB 1.618 33.457 31.823 0.026 0.000 1.007 274 V HN 0.892 nan 8.190 nan 0.000 0.426 275 I N 5.374 125.920 120.570 -0.040 0.000 2.359 275 I HA 0.408 4.578 4.170 -0.000 0.000 0.294 275 I C 0.175 176.284 176.117 -0.012 0.000 0.987 275 I CA -0.327 60.950 61.300 -0.039 0.000 1.225 275 I CB 2.018 39.981 38.000 -0.062 0.000 1.366 275 I HN 0.462 nan 8.210 nan 0.000 0.466 276 T N 5.898 120.448 114.554 -0.006 0.000 2.781 276 T HA 0.469 4.819 4.350 -0.000 0.000 0.305 276 T C 0.064 174.765 174.700 0.002 0.000 1.001 276 T CA -0.433 61.667 62.100 0.000 0.000 0.950 276 T CB 0.735 69.604 68.868 0.001 0.000 0.955 276 T HN 0.663 nan 8.240 nan 0.000 0.471 277 A N 3.865 126.688 122.820 0.005 0.000 2.253 277 A HA 0.642 4.962 4.320 -0.000 0.000 0.316 277 A C 0.891 178.478 177.584 0.005 0.000 1.327 277 A CA -0.756 51.286 52.037 0.009 0.000 0.917 277 A CB 0.114 19.123 19.000 0.016 0.000 1.162 277 A HN 0.767 nan 8.150 nan 0.000 0.535 278 T N -1.404 113.151 114.554 0.002 0.000 2.880 278 T HA 0.700 5.050 4.350 -0.000 0.000 0.279 278 T C 1.082 175.784 174.700 0.002 0.000 0.990 278 T CA 0.063 62.161 62.100 -0.003 0.000 0.938 278 T CB 0.277 69.140 68.868 -0.008 0.000 1.206 278 T HN 1.456 nan 8.240 nan 0.000 0.573 290 P HA 0.406 nan 4.420 nan 0.000 0.274 290 P C 0.061 177.361 177.300 0.000 0.000 1.237 290 P CA 0.107 63.208 63.100 0.001 0.000 0.793 290 P CB 0.833 32.534 31.700 0.002 0.000 0.977 291 T N -1.983 112.570 114.554 -0.001 0.000 2.916 291 T HA 0.017 4.367 4.350 -0.000 0.000 0.303 291 T C 0.908 175.606 174.700 -0.003 0.000 1.025 291 T CA -0.380 61.719 62.100 -0.002 0.000 1.142 291 T CB 0.494 69.361 68.868 -0.002 0.000 0.947 291 T HN 0.329 nan 8.240 nan 0.000 0.544 292 D N 2.610 123.008 120.400 -0.003 0.000 2.172 292 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 292 D C 2.195 178.491 176.300 -0.007 0.000 0.999 292 D CA 1.814 55.812 54.000 -0.004 0.000 0.856 292 D CB -0.511 40.287 40.800 -0.004 0.000 0.934 292 D HN 0.819 nan 8.370 nan 0.000 0.453 293 A N 0.461 123.277 122.820 -0.007 0.000 1.883 293 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 293 A C 2.134 179.711 177.584 -0.012 0.000 1.186 293 A CA 1.913 53.944 52.037 -0.011 0.000 0.624 293 A CB -0.608 18.386 19.000 -0.010 0.000 0.822 293 A HN 0.318 nan 8.150 nan 0.000 0.444 294 E N -0.415 119.780 120.200 -0.009 0.000 2.047 294 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 294 E C 2.371 178.967 176.600 -0.007 0.000 0.987 294 E CA 0.917 57.313 56.400 -0.007 0.000 0.799 294 E CB -0.324 29.373 29.700 -0.004 0.000 0.752 294 E HN 0.609 nan 8.360 nan 0.000 0.449 295 A N 1.133 123.950 122.820 -0.005 0.000 1.908 295 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 295 A C 2.405 179.985 177.584 -0.007 0.000 1.181 295 A CA 1.921 53.956 52.037 -0.004 0.000 0.627 295 A CB -1.141 17.858 19.000 -0.002 0.000 0.818 295 A HN 0.376 nan 8.150 nan 0.000 0.445 296 G N -0.925 107.869 108.800 -0.010 0.000 2.403 296 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 296 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 296 G C 1.266 176.154 174.900 -0.020 0.000 1.154 296 G CA 1.185 46.276 45.100 -0.014 0.000 0.784 296 G HN 0.478 nan 8.290 nan 0.000 0.538 297 D N -0.022 120.366 120.400 -0.021 0.000 2.182 297 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 297 D C 2.593 178.880 176.300 -0.023 0.000 0.986 297 D CA 0.518 54.501 54.000 -0.028 0.000 0.847 297 D CB -0.013 40.770 40.800 -0.027 0.000 0.942 297 D HN 0.165 nan 8.370 nan 0.000 0.467 298 V N 0.674 120.580 119.914 -0.013 0.000 2.221 298 V HA -0.194 3.926 4.120 -0.000 0.000 0.242 298 V C 2.552 178.643 176.094 -0.006 0.000 1.041 298 V CA 1.736 64.033 62.300 -0.006 0.000 0.995 298 V CB -1.108 30.715 31.823 -0.000 0.000 0.635 298 V HN 0.280 nan 8.190 nan 0.000 0.448 299 A N 0.773 123.591 122.820 -0.005 0.000 1.906 299 A HA -0.386 3.934 4.320 -0.000 0.000 0.222 299 A C 2.006 179.585 177.584 -0.010 0.000 1.282 299 A CA 2.744 54.779 52.037 -0.004 0.000 0.675 299 A CB -1.181 17.816 19.000 -0.006 0.000 0.838 299 A HN 0.663 nan 8.150 nan 0.000 0.469 300 N N -0.007 118.680 118.700 -0.021 0.000 2.205 300 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 300 N C 1.859 177.352 175.510 -0.028 0.000 1.015 300 N CA 1.536 54.567 53.050 -0.031 0.000 0.862 300 N CB -0.519 37.939 38.487 -0.049 0.000 0.986 300 N HN 0.577 nan 8.380 nan 0.000 0.429 301 A N 1.067 123.875 122.820 -0.021 0.000 1.972 301 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 301 A C 2.278 179.869 177.584 0.012 0.000 1.169 301 A CA 0.736 52.766 52.037 -0.011 0.000 0.635 301 A CB -0.434 18.560 19.000 -0.009 0.000 0.810 301 A HN 0.198 nan 8.150 nan 0.000 0.446 302 I N -0.497 120.083 120.570 0.016 0.000 2.193 302 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 302 I C 2.294 178.432 176.117 0.035 0.000 1.084 302 I CA 0.967 62.291 61.300 0.041 0.000 1.365 302 I CB -0.440 37.583 38.000 0.038 0.000 1.064 302 I HN 0.243 nan 8.210 nan 0.000 0.410 303 L N 0.629 121.851 121.223 -0.001 0.000 2.081 303 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 303 L C 1.856 178.692 176.870 -0.057 0.000 1.080 303 L CA 1.261 56.080 54.840 -0.035 0.000 0.754 303 L CB -0.797 41.238 42.059 -0.039 0.000 0.893 303 L HN 0.301 nan 8.230 nan 0.000 0.433 304 D N 0.142 120.523 120.400 -0.031 0.000 2.378 304 D HA -0.020 4.620 4.640 -0.000 0.000 0.222 304 D C 1.528 177.838 176.300 0.017 0.000 0.980 304 D CA 1.135 55.119 54.000 -0.027 0.000 0.907 304 D CB -0.055 40.734 40.800 -0.019 0.000 0.899 304 D HN 0.441 nan 8.370 nan 0.000 0.527 305 G N 0.889 109.731 108.800 0.070 0.000 2.165 305 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.226 305 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.226 305 G C 0.458 175.502 174.900 0.239 0.000 1.035 305 G CA 0.329 45.598 45.100 0.281 0.000 0.744 305 G HN 0.409 nan 8.290 nan 0.000 0.501 306 T N -0.835 113.790 114.554 0.118 0.000 2.937 306 T HA 0.301 4.651 4.350 -0.000 0.000 0.316 306 T C 1.605 176.333 174.700 0.046 0.000 1.079 306 T CA 1.136 63.275 62.100 0.065 0.000 1.131 306 T CB 0.278 69.166 68.868 0.035 0.000 1.000 306 T HN 0.266 nan 8.240 nan 0.000 0.549 307 D N 2.179 122.581 120.400 0.004 0.000 2.137 307 D HA 0.291 4.931 4.640 -0.000 0.000 0.202 307 D C 0.383 176.678 176.300 -0.008 0.000 0.970 307 D CA 1.089 55.076 54.000 -0.023 0.000 0.837 307 D CB 0.152 40.926 40.800 -0.043 0.000 0.981 307 D HN 0.659 nan 8.370 nan 0.000 0.475 308 A N 0.000 122.813 122.820 -0.013 0.000 2.486 308 A HA 0.583 4.903 4.320 -0.000 0.000 0.300 308 A C -0.418 177.162 177.584 -0.007 0.000 1.048 308 A CA -0.880 51.150 52.037 -0.011 0.000 0.696 308 A CB 1.164 20.147 19.000 -0.028 0.000 1.278 308 A HN 0.017 nan 8.150 nan 0.000 0.405 309 V N 0.030 119.945 119.914 0.002 0.000 3.262 309 V HA 0.874 4.994 4.120 -0.000 0.000 0.313 309 V C 0.133 176.229 176.094 0.004 0.000 1.070 309 V CA -0.738 61.565 62.300 0.004 0.000 1.049 309 V CB 1.471 33.299 31.823 0.009 0.000 1.157 309 V HN 1.167 nan 8.190 nan 0.000 0.454 310 M N 1.767 121.372 119.600 0.008 0.000 2.433 310 M HA 0.590 5.070 4.480 -0.000 0.000 0.290 310 M C -2.221 174.089 176.300 0.017 0.000 1.173 310 M CA -0.626 54.681 55.300 0.013 0.000 0.905 310 M CB 2.182 34.789 32.600 0.012 0.000 1.692 310 M HN 0.709 nan 8.290 nan 0.000 0.462 311 L N 3.230 124.467 121.223 0.022 0.000 2.305 311 L HA 0.502 4.842 4.340 -0.000 0.000 0.284 311 L C -0.080 176.807 176.870 0.029 0.000 1.013 311 L CA -0.370 54.484 54.840 0.023 0.000 0.819 311 L CB 1.983 44.054 42.059 0.021 0.000 1.227 311 L HN 0.852 nan 8.230 nan 0.000 0.417 312 S N 1.429 117.145 115.700 0.028 0.000 2.337 312 S HA 0.188 4.658 4.470 -0.000 0.000 0.258 312 S C 1.510 176.127 174.600 0.029 0.000 1.178 312 S CA 0.105 58.326 58.200 0.034 0.000 1.023 312 S CB 0.361 63.583 63.200 0.037 0.000 1.136 312 S HN 0.868 nan 8.310 nan 0.000 0.458 313 G N 0.424 109.241 108.800 0.028 0.000 2.790 313 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 313 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 313 G C 0.404 175.307 174.900 0.005 0.000 1.095 313 G CA 1.094 46.202 45.100 0.013 0.000 0.713 313 G HN 0.593 nan 8.290 nan 0.000 0.603 322 L N 1.020 122.248 121.223 0.008 0.000 2.249 322 L HA 0.178 4.518 4.340 -0.000 0.000 0.207 322 L C 1.907 178.783 176.870 0.010 0.000 1.090 322 L CA 1.843 56.689 54.840 0.010 0.000 0.802 322 L CB -0.234 41.831 42.059 0.009 0.000 0.947 322 L HN -0.072 nan 8.230 nan 0.000 0.453 323 E N -0.442 119.762 120.200 0.008 0.000 2.208 323 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 323 E C 2.218 178.823 176.600 0.008 0.000 0.988 323 E CA 1.034 57.439 56.400 0.008 0.000 0.828 323 E CB -0.371 29.333 29.700 0.006 0.000 0.763 323 E HN 0.479 nan 8.360 nan 0.000 0.478 324 A N 0.410 123.236 122.820 0.009 0.000 1.929 324 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 324 A C 2.358 179.950 177.584 0.012 0.000 1.176 324 A CA 1.121 53.163 52.037 0.009 0.000 0.628 324 A CB -0.487 18.519 19.000 0.010 0.000 0.816 324 A HN 0.153 nan 8.150 nan 0.000 0.444 325 V N -0.160 119.762 119.914 0.013 0.000 2.358 325 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 325 V C 2.725 178.828 176.094 0.015 0.000 1.047 325 V CA 2.233 64.542 62.300 0.016 0.000 1.035 325 V CB -0.918 30.916 31.823 0.018 0.000 0.658 325 V HN 0.525 nan 8.190 nan 0.000 0.452 326 S N -0.026 115.682 115.700 0.014 0.000 2.368 326 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 326 S C 1.930 176.537 174.600 0.013 0.000 1.030 326 S CA 1.742 59.950 58.200 0.013 0.000 0.999 326 S CB -0.380 62.828 63.200 0.012 0.000 0.844 326 S HN 0.467 nan 8.310 nan 0.000 0.459 327 I N 1.336 121.913 120.570 0.011 0.000 2.202 327 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 327 I C 2.227 178.351 176.117 0.011 0.000 1.091 327 I CA 1.208 62.514 61.300 0.010 0.000 1.368 327 I CB -0.402 37.603 38.000 0.008 0.000 1.058 327 I HN 0.173 nan 8.210 nan 0.000 0.410 328 M N 0.656 120.263 119.600 0.011 0.000 2.089 328 M HA -0.259 4.221 4.480 -0.000 0.000 0.257 328 M C 2.218 178.526 176.300 0.014 0.000 1.071 328 M CA 2.446 57.753 55.300 0.012 0.000 1.096 328 M CB -0.875 31.733 32.600 0.014 0.000 1.330 328 M HN 0.346 nan 8.290 nan 0.000 0.403 329 A N -1.395 121.434 122.820 0.016 0.000 1.877 329 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 329 A C 2.256 179.850 177.584 0.017 0.000 1.186 329 A CA 2.478 54.525 52.037 0.017 0.000 0.620 329 A CB -1.676 17.335 19.000 0.019 0.000 0.822 329 A HN 0.687 nan 8.150 nan 0.000 0.443 330 T N -1.715 112.848 114.554 0.014 0.000 2.977 330 T HA -0.046 4.304 4.350 -0.000 0.000 0.271 330 T C 1.690 176.397 174.700 0.013 0.000 1.105 330 T CA 1.535 63.643 62.100 0.014 0.000 1.116 330 T CB -0.523 68.352 68.868 0.012 0.000 0.878 330 T HN 0.380 nan 8.240 nan 0.000 0.509 331 I N -0.013 120.564 120.570 0.013 0.000 2.400 331 I HA -0.015 4.155 4.170 -0.000 0.000 0.248 331 I C 2.807 178.933 176.117 0.015 0.000 1.109 331 I CA 0.412 61.719 61.300 0.012 0.000 1.425 331 I CB -0.405 37.600 38.000 0.009 0.000 1.094 331 I HN 0.343 nan 8.210 nan 0.000 0.425 332 C N 0.780 120.090 119.300 0.018 0.000 2.413 332 C HA -0.166 4.294 4.460 -0.000 0.000 0.277 332 C C 2.856 177.861 174.990 0.026 0.000 1.265 332 C CA 1.131 60.163 59.018 0.023 0.000 1.752 332 C CB -0.878 26.877 27.740 0.024 0.000 1.998 332 C HN 0.524 nan 8.230 nan 0.000 0.489 333 E N 1.390 121.604 120.200 0.024 0.000 2.047 333 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 333 E C 2.247 178.861 176.600 0.024 0.000 0.987 333 E CA 1.300 57.716 56.400 0.026 0.000 0.799 333 E CB -0.477 29.237 29.700 0.024 0.000 0.752 333 E HN 0.435 nan 8.360 nan 0.000 0.449 334 R N 0.366 120.877 120.500 0.019 0.000 2.140 334 R HA -0.131 4.209 4.340 -0.000 0.000 0.250 334 R C 2.281 178.591 176.300 0.017 0.000 1.150 334 R CA 2.601 58.711 56.100 0.016 0.000 0.966 334 R CB -1.050 29.257 30.300 0.012 0.000 0.869 334 R HN 0.234 nan 8.270 nan 0.000 0.445 335 T N 0.382 114.947 114.554 0.018 0.000 2.851 335 T HA -0.025 4.325 4.350 -0.000 0.000 0.262 335 T C 1.122 175.839 174.700 0.029 0.000 1.043 335 T CA 1.180 63.291 62.100 0.019 0.000 1.140 335 T CB -0.285 68.595 68.868 0.020 0.000 0.872 335 T HN 0.254 nan 8.240 nan 0.000 0.446 336 D N 1.968 122.391 120.400 0.038 0.000 2.092 336 D HA -0.111 4.529 4.640 -0.000 0.000 0.193 336 D C 2.117 178.445 176.300 0.047 0.000 0.994 336 D CA 0.965 54.997 54.000 0.053 0.000 0.828 336 D CB -0.398 40.435 40.800 0.055 0.000 0.963 336 D HN 0.515 nan 8.370 nan 0.000 0.450 337 R N 0.952 121.474 120.500 0.037 0.000 2.425 337 R HA -0.058 4.282 4.340 -0.000 0.000 0.206 337 R C 0.904 177.221 176.300 0.028 0.000 1.117 337 R CA 0.813 56.932 56.100 0.033 0.000 1.098 337 R CB -0.400 29.915 30.300 0.026 0.000 0.843 337 R HN 0.277 nan 8.270 nan 0.000 0.480 338 V N -4.671 115.258 119.914 0.026 0.000 3.440 338 V HA 0.326 4.446 4.120 -0.000 0.000 0.301 338 V C 0.455 176.557 176.094 0.012 0.000 1.555 338 V CA -0.730 61.580 62.300 0.017 0.000 1.095 338 V CB -0.175 31.653 31.823 0.009 0.000 0.936 338 V HN 0.094 nan 8.190 nan 0.000 0.452 339 M N 1.685 121.299 119.600 0.023 0.000 2.055 339 M HA 0.481 4.961 4.480 -0.000 0.000 0.279 339 M C -0.001 176.311 176.300 0.021 0.000 1.236 339 M CA 0.414 55.719 55.300 0.009 0.000 1.074 339 M CB 0.425 33.041 32.600 0.026 0.000 1.394 339 M HN 0.326 nan 8.290 nan 0.000 0.492 340 N N -0.722 117.980 118.700 0.004 0.000 2.525 340 N HA 0.363 5.103 4.740 -0.000 0.000 0.270 340 N C -1.224 174.322 175.510 0.060 0.000 1.321 340 N CA -0.475 52.593 53.050 0.030 0.000 0.797 340 N CB 1.731 40.221 38.487 0.005 0.000 1.529 340 N HN 0.709 nan 8.380 nan 0.000 0.491 341 S N 0.228 115.990 115.700 0.103 0.000 2.617 341 S HA 0.402 4.872 4.470 -0.000 0.000 0.255 341 S C -0.001 174.681 174.600 0.138 0.000 1.318 341 S CA -0.356 57.951 58.200 0.178 0.000 0.978 341 S CB 0.701 64.001 63.200 0.166 0.000 0.961 341 S HN 0.486 nan 8.310 nan 0.000 0.582 342 R N 0.439 121.079 120.500 0.232 0.000 2.721 342 R HA 0.338 4.678 4.340 -0.000 0.000 0.272 342 R C -0.046 176.429 176.300 0.292 0.000 1.721 342 R CA -0.151 56.063 56.100 0.190 0.000 1.325 342 R CB 0.344 30.732 30.300 0.147 0.000 1.271 342 R HN 0.550 nan 8.270 nan 0.000 0.556 343 L N 0.842 122.175 121.223 0.184 0.000 2.162 343 L HA 0.050 4.390 4.340 -0.000 0.000 0.205 343 L C 1.746 178.684 176.870 0.114 0.000 1.086 343 L CA 0.963 55.883 54.840 0.134 0.000 0.778 343 L CB -0.414 41.675 42.059 0.050 0.000 0.928 343 L HN 0.630 nan 8.230 nan 0.000 0.446 355 T N 1.688 116.264 114.554 0.038 0.000 2.720 355 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 355 T C 1.560 176.307 174.700 0.077 0.000 1.037 355 T CA 1.802 63.932 62.100 0.050 0.000 1.144 355 T CB -0.171 68.727 68.868 0.050 0.000 0.864 355 T HN 0.277 nan 8.240 nan 0.000 0.444 356 E N 1.631 121.890 120.200 0.098 0.000 2.058 356 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 356 E C 2.606 179.226 176.600 0.034 0.000 0.997 356 E CA 1.318 57.810 56.400 0.154 0.000 0.801 356 E CB -0.874 28.925 29.700 0.165 0.000 0.746 356 E HN 0.536 nan 8.360 nan 0.000 0.450 357 A N 1.483 124.313 122.820 0.017 0.000 1.859 357 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 357 A C 2.714 180.269 177.584 -0.047 0.000 1.198 357 A CA 2.158 54.181 52.037 -0.024 0.000 0.629 357 A CB -0.994 18.004 19.000 -0.004 0.000 0.830 357 A HN 0.137 nan 8.150 nan 0.000 0.446 358 V N -0.373 119.534 119.914 -0.012 0.000 2.233 358 V HA -0.366 3.754 4.120 -0.000 0.000 0.247 358 V C 2.737 178.814 176.094 -0.029 0.000 1.050 358 V CA 2.196 64.490 62.300 -0.009 0.000 1.010 358 V CB -1.360 30.473 31.823 0.018 0.000 0.637 358 V HN 0.737 nan 8.190 nan 0.000 0.444 359 C N -0.401 118.898 119.300 -0.001 0.000 2.413 359 C HA -0.179 4.281 4.460 -0.000 0.000 0.277 359 C C 2.861 177.722 174.990 -0.216 0.000 1.265 359 C CA 1.165 60.187 59.018 0.007 0.000 1.752 359 C CB -1.359 26.484 27.740 0.171 0.000 1.998 359 C HN 0.506 nan 8.230 nan 0.000 0.489 360 R N 0.957 121.150 120.500 -0.512 0.000 2.081 360 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 360 R C 2.376 178.452 176.300 -0.373 0.000 1.131 360 R CA 1.751 57.305 56.100 -0.910 0.000 0.960 360 R CB -0.769 29.118 30.300 -0.690 0.000 0.856 360 R HN 0.601 nan 8.270 nan 0.000 0.436 361 G N 0.427 109.100 108.800 -0.212 0.000 2.628 361 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.217 361 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.217 361 G C 1.510 176.367 174.900 -0.072 0.000 1.240 361 G CA 1.391 46.427 45.100 -0.107 0.000 0.792 361 G HN 0.493 nan 8.290 nan 0.000 0.593 362 A N -0.303 122.490 122.820 -0.044 0.000 1.915 362 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 362 A C 2.642 180.230 177.584 0.007 0.000 1.198 362 A CA 2.755 54.793 52.037 0.002 0.000 0.647 362 A CB -0.872 18.145 19.000 0.030 0.000 0.825 362 A HN 0.463 nan 8.150 nan 0.000 0.456 363 V N -0.193 119.713 119.914 -0.013 0.000 2.453 363 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 363 V C 2.488 178.590 176.094 0.013 0.000 1.048 363 V CA 2.112 64.426 62.300 0.024 0.000 1.049 363 V CB -0.777 31.074 31.823 0.047 0.000 0.672 363 V HN 0.813 nan 8.190 nan 0.000 0.457 364 E N 0.490 120.674 120.200 -0.026 0.000 2.077 364 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 364 E C 2.148 178.747 176.600 -0.002 0.000 0.989 364 E CA 2.009 58.401 56.400 -0.014 0.000 0.800 364 E CB -0.150 29.527 29.700 -0.038 0.000 0.746 364 E HN 0.595 nan 8.360 nan 0.000 0.452 365 T N 0.629 115.179 114.554 -0.006 0.000 2.821 365 T HA -0.041 4.309 4.350 -0.000 0.000 0.267 365 T C 1.852 176.558 174.700 0.011 0.000 1.046 365 T CA 1.053 63.153 62.100 -0.000 0.000 1.139 365 T CB -0.268 68.600 68.868 -0.001 0.000 0.871 365 T HN 0.362 nan 8.240 nan 0.000 0.454 366 A N 2.032 124.864 122.820 0.020 0.000 1.883 366 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 366 A C 2.225 179.827 177.584 0.030 0.000 1.186 366 A CA 1.706 53.762 52.037 0.032 0.000 0.624 366 A CB -0.570 18.456 19.000 0.044 0.000 0.822 366 A HN 0.560 nan 8.150 nan 0.000 0.444 367 E N -0.249 119.969 120.200 0.031 0.000 2.106 367 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 367 E C 2.072 178.685 176.600 0.022 0.000 0.984 367 E CA 1.184 57.603 56.400 0.031 0.000 0.806 367 E CB -0.183 29.539 29.700 0.036 0.000 0.750 367 E HN 0.605 nan 8.360 nan 0.000 0.458 368 K N 0.700 121.108 120.400 0.015 0.000 2.002 368 K HA -0.099 4.221 4.320 -0.000 0.000 0.209 368 K C 2.032 178.638 176.600 0.009 0.000 1.048 368 K CA 1.010 57.303 56.287 0.009 0.000 0.930 368 K CB -0.140 32.362 32.500 0.003 0.000 0.714 368 K HN 0.119 nan 8.250 nan 0.000 0.438 369 L N 0.951 122.180 121.223 0.009 0.000 2.599 369 L HA -0.031 4.309 4.340 -0.000 0.000 0.230 369 L C -0.386 176.493 176.870 0.015 0.000 1.141 369 L CA 0.159 55.005 54.840 0.009 0.000 0.877 369 L CB -0.278 41.785 42.059 0.006 0.000 1.009 369 L HN 0.251 nan 8.230 nan 0.000 0.447 370 D N -0.732 119.680 120.400 0.020 0.000 3.041 370 D HA -0.164 4.476 4.640 -0.000 0.000 0.220 370 D C 0.616 176.935 176.300 0.031 0.000 1.157 370 D CA 1.052 55.067 54.000 0.025 0.000 0.876 370 D CB -1.038 39.775 40.800 0.021 0.000 1.107 370 D HN 0.370 nan 8.370 nan 0.000 0.422 371 A N 0.974 123.813 122.820 0.033 0.000 2.545 371 A HA 0.294 4.614 4.320 -0.000 0.000 0.253 371 A C -0.561 177.049 177.584 0.043 0.000 1.074 371 A CA -0.286 51.774 52.037 0.038 0.000 0.760 371 A CB 0.414 19.438 19.000 0.040 0.000 1.005 371 A HN 0.036 nan 8.150 nan 0.000 0.506 372 P HA 0.159 nan 4.420 nan 0.000 0.249 372 P C -0.196 177.131 177.300 0.046 0.000 1.229 372 P CA 0.418 63.548 63.100 0.050 0.000 0.788 372 P CB 0.085 31.823 31.700 0.064 0.000 1.072 373 L N -0.767 120.481 121.223 0.042 0.000 2.671 373 L HA 0.498 4.838 4.340 -0.000 0.000 0.259 373 L C -1.706 175.193 176.870 0.048 0.000 1.021 373 L CA -1.074 53.790 54.840 0.039 0.000 0.871 373 L CB 2.149 44.222 42.059 0.023 0.000 1.472 373 L HN -0.322 nan 8.230 nan 0.000 0.410 374 I N 3.330 123.933 120.570 0.054 0.000 2.542 374 I HA 0.327 4.497 4.170 -0.000 0.000 0.278 374 I C -0.618 175.551 176.117 0.087 0.000 1.069 374 I CA -0.724 60.621 61.300 0.075 0.000 1.100 374 I CB 1.672 39.719 38.000 0.080 0.000 1.204 374 I HN 0.235 nan 8.210 nan 0.000 0.470 375 V N 6.430 126.397 119.914 0.089 0.000 2.963 375 V HA 0.325 4.445 4.120 -0.000 0.000 0.306 375 V C 0.240 176.474 176.094 0.233 0.000 1.077 375 V CA -0.135 62.231 62.300 0.110 0.000 1.124 375 V CB 1.474 33.303 31.823 0.010 0.000 0.987 375 V HN 0.431 nan 8.190 nan 0.000 0.487 376 V N 1.720 121.791 119.914 0.263 0.000 3.000 376 V HA 0.712 4.832 4.120 -0.000 0.000 0.300 376 V C -0.168 176.035 176.094 0.181 0.000 1.251 376 V CA -0.599 61.841 62.300 0.234 0.000 0.972 376 V CB 1.829 33.717 31.823 0.109 0.000 1.065 376 V HN 1.092 nan 8.190 nan 0.000 0.431 377 A N 1.863 124.655 122.820 -0.046 0.000 2.305 377 A HA 0.933 5.253 4.320 -0.000 0.000 0.322 377 A C -0.129 177.379 177.584 -0.128 0.000 1.187 377 A CA -0.385 51.557 52.037 -0.158 0.000 0.825 377 A CB 1.509 20.145 19.000 -0.607 0.000 1.164 377 A HN 1.085 nan 8.150 nan 0.000 0.498 378 T N 0.314 114.824 114.554 -0.073 0.000 3.097 378 T HA 0.309 4.659 4.350 -0.000 0.000 0.332 378 T C 0.006 174.676 174.700 -0.049 0.000 1.269 378 T CA -0.367 61.699 62.100 -0.057 0.000 1.076 378 T CB 1.556 70.409 68.868 -0.024 0.000 1.209 378 T HN 0.599 nan 8.240 nan 0.000 0.474 379 Q N 2.777 122.548 119.800 -0.048 0.000 2.263 379 Q HA 0.253 4.593 4.340 -0.000 0.000 0.196 379 Q C 1.965 177.946 176.000 -0.031 0.000 0.965 379 Q CA 1.773 57.550 55.803 -0.043 0.000 0.851 379 Q CB -0.306 28.406 28.738 -0.043 0.000 0.948 379 Q HN 0.891 nan 8.270 nan 0.000 0.516 380 G N -0.947 107.843 108.800 -0.017 0.000 2.813 380 G HA2 0.198 4.158 3.960 -0.000 0.000 0.209 380 G HA3 0.198 4.158 3.960 -0.000 0.000 0.209 380 G C 0.935 175.852 174.900 0.029 0.000 1.150 380 G CA 0.683 45.788 45.100 0.009 0.000 0.785 380 G HN 0.579 nan 8.290 nan 0.000 0.535 381 G N 0.374 109.183 108.800 0.014 0.000 2.225 381 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.254 381 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.254 381 G C 1.331 176.254 174.900 0.039 0.000 0.988 381 G CA 0.981 46.100 45.100 0.032 0.000 0.625 381 G HN 0.543 nan 8.290 nan 0.000 0.527 382 K N 1.030 121.449 120.400 0.032 0.000 1.987 382 K HA -0.141 4.179 4.320 -0.000 0.000 0.216 382 K C 2.937 179.550 176.600 0.021 0.000 1.051 382 K CA 2.320 58.622 56.287 0.026 0.000 0.942 382 K CB -0.487 32.023 32.500 0.017 0.000 0.722 382 K HN 0.712 nan 8.250 nan 0.000 0.444 383 S N 0.856 116.564 115.700 0.013 0.000 2.440 383 S HA -0.109 4.361 4.470 -0.000 0.000 0.238 383 S C 2.167 176.787 174.600 0.034 0.000 1.010 383 S CA 0.976 59.190 58.200 0.023 0.000 0.972 383 S CB -0.288 62.917 63.200 0.008 0.000 0.774 383 S HN 0.347 nan 8.310 nan 0.000 0.501 384 A N 2.349 125.185 122.820 0.027 0.000 1.898 384 A HA -0.000 4.320 4.320 -0.000 0.000 0.216 384 A C 2.408 180.004 177.584 0.019 0.000 1.181 384 A CA 1.173 53.228 52.037 0.030 0.000 0.620 384 A CB -0.568 18.448 19.000 0.027 0.000 0.819 384 A HN 0.546 nan 8.150 nan 0.000 0.442 385 R N -0.595 119.913 120.500 0.015 0.000 2.082 385 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 385 R C 2.563 178.848 176.300 -0.026 0.000 1.136 385 R CA 1.363 57.458 56.100 -0.009 0.000 0.935 385 R CB -0.626 29.678 30.300 0.007 0.000 0.842 385 R HN 0.493 nan 8.270 nan 0.000 0.430 386 A N 0.652 123.478 122.820 0.010 0.000 1.927 386 A HA -0.188 4.131 4.320 -0.000 0.000 0.220 386 A C 2.370 180.025 177.584 0.118 0.000 1.185 386 A CA 1.943 54.009 52.037 0.048 0.000 0.639 386 A CB -0.715 18.335 19.000 0.084 0.000 0.820 386 A HN 0.181 nan 8.150 nan 0.000 0.451 387 V N 0.374 120.353 119.914 0.109 0.000 2.358 387 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 387 V C 2.727 178.900 176.094 0.131 0.000 1.047 387 V CA 1.943 64.350 62.300 0.179 0.000 1.035 387 V CB -0.818 31.076 31.823 0.118 0.000 0.658 387 V HN 0.681 nan 8.190 nan 0.000 0.452 388 R N 1.530 122.022 120.500 -0.014 0.000 2.127 388 R HA -0.233 4.107 4.340 -0.000 0.000 0.238 388 R C 2.220 178.324 176.300 -0.325 0.000 1.134 388 R CA 2.245 58.262 56.100 -0.138 0.000 0.975 388 R CB -0.600 29.620 30.300 -0.133 0.000 0.865 388 R HN 0.596 nan 8.270 nan 0.000 0.447 389 K N -0.245 119.934 120.400 -0.368 0.000 2.218 389 K HA -0.184 4.136 4.320 -0.000 0.000 0.205 389 K C 0.958 177.197 176.600 -0.601 0.000 1.046 389 K CA 1.569 57.515 56.287 -0.568 0.000 0.933 389 K CB -0.208 31.859 32.500 -0.723 0.000 0.728 389 K HN 0.256 nan 8.250 nan 0.000 0.454 390 Y N -0.337 119.972 120.300 0.015 0.000 2.471 390 Y HA 0.158 4.708 4.550 -0.000 0.000 0.286 390 Y C -0.437 175.620 175.900 0.261 0.000 1.188 390 Y CA -0.290 57.899 58.100 0.148 0.000 1.286 390 Y CB -0.381 38.133 38.460 0.089 0.000 1.072 390 Y HN -0.069 nan 8.280 nan 0.000 0.517 391 F N -1.377 118.610 119.950 0.062 0.000 2.943 391 F HA -0.234 4.293 4.527 -0.000 0.000 0.258 391 F C -2.205 173.643 175.800 0.079 0.000 0.995 391 F CA -1.143 56.890 58.000 0.056 0.000 0.896 391 F CB -1.981 37.042 39.000 0.039 0.000 0.821 391 F HN 0.034 nan 8.300 nan 0.000 0.828 392 P HA -0.054 nan 4.420 nan 0.000 0.267 392 P C 0.816 178.188 177.300 0.119 0.000 1.195 392 P CA 0.403 63.588 63.100 0.141 0.000 0.773 392 P CB 0.679 32.440 31.700 0.101 0.000 0.837 393 D N 0.390 120.848 120.400 0.098 0.000 2.271 393 D HA 0.029 4.669 4.640 -0.000 0.000 0.206 393 D C 0.862 177.203 176.300 0.067 0.000 0.967 393 D CA 0.565 54.614 54.000 0.081 0.000 0.867 393 D CB -0.180 40.660 40.800 0.066 0.000 0.960 393 D HN 0.354 nan 8.370 nan 0.000 0.509 394 A N 0.876 123.735 122.820 0.065 0.000 2.386 394 A HA 0.356 4.676 4.320 -0.000 0.000 0.248 394 A C 0.535 178.151 177.584 0.054 0.000 1.082 394 A CA -0.127 51.944 52.037 0.057 0.000 0.789 394 A CB 0.280 19.314 19.000 0.056 0.000 1.025 394 A HN -0.021 nan 8.150 nan 0.000 0.490 395 T N 1.776 116.358 114.554 0.047 0.000 2.913 395 T HA 0.394 4.744 4.350 -0.000 0.000 0.297 395 T C 0.163 174.888 174.700 0.041 0.000 1.029 395 T CA 0.352 62.477 62.100 0.041 0.000 1.104 395 T CB 0.184 69.073 68.868 0.035 0.000 0.964 395 T HN 0.375 nan 8.240 nan 0.000 0.532 396 I N 3.219 123.811 120.570 0.037 0.000 2.304 396 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 396 I C -0.303 175.836 176.117 0.037 0.000 1.018 396 I CA -0.742 60.583 61.300 0.042 0.000 1.260 396 I CB 1.009 39.033 38.000 0.039 0.000 1.390 396 I HN 0.336 nan 8.210 nan 0.000 0.475 397 L N 7.796 129.043 121.223 0.039 0.000 2.259 397 L HA 0.624 4.964 4.340 -0.000 0.000 0.288 397 L C 0.100 176.997 176.870 0.044 0.000 1.051 397 L CA 0.011 54.869 54.840 0.031 0.000 0.824 397 L CB 0.756 42.826 42.059 0.020 0.000 1.206 397 L HN 0.662 nan 8.230 nan 0.000 0.429 398 A N 5.812 128.653 122.820 0.036 0.000 2.249 398 A HA 0.628 4.948 4.320 -0.000 0.000 0.314 398 A C -0.862 176.741 177.584 0.031 0.000 1.290 398 A CA -0.556 51.506 52.037 0.041 0.000 0.893 398 A CB 0.204 19.222 19.000 0.030 0.000 1.165 398 A HN 0.594 nan 8.150 nan 0.000 0.530 399 L N 2.056 123.316 121.223 0.062 0.000 2.305 399 L HA 0.702 5.042 4.340 -0.000 0.000 0.281 399 L C 0.745 177.629 176.870 0.022 0.000 1.085 399 L CA 0.712 55.583 54.840 0.052 0.000 0.813 399 L CB 1.378 43.511 42.059 0.124 0.000 1.157 399 L HN 0.768 nan 8.230 nan 0.000 0.436 400 T N -0.226 114.323 114.554 -0.009 0.000 2.942 400 T HA 0.348 4.698 4.350 -0.000 0.000 0.327 400 T C 0.669 175.345 174.700 -0.041 0.000 1.360 400 T CA 0.172 62.254 62.100 -0.032 0.000 1.055 400 T CB 1.196 70.035 68.868 -0.048 0.000 1.261 400 T HN 0.743 nan 8.240 nan 0.000 0.485 401 T N 0.593 115.122 114.554 -0.042 0.000 3.057 401 T HA 0.217 4.567 4.350 -0.000 0.000 0.254 401 T C 0.737 175.405 174.700 -0.054 0.000 1.094 401 T CA -0.028 62.047 62.100 -0.042 0.000 1.088 401 T CB -0.115 68.732 68.868 -0.035 0.000 0.934 401 T HN 0.473 nan 8.240 nan 0.000 0.497 402 N N 1.796 120.458 118.700 -0.062 0.000 2.422 402 N HA 0.120 4.860 4.740 -0.000 0.000 0.264 402 N C 0.513 175.959 175.510 -0.108 0.000 1.063 402 N CA 0.017 53.024 53.050 -0.072 0.000 0.959 402 N CB 1.458 39.907 38.487 -0.064 0.000 1.087 402 N HN 0.387 nan 8.380 nan 0.000 0.483 403 E N 2.259 122.389 120.200 -0.115 0.000 2.230 403 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 403 E C 1.021 177.503 176.600 -0.196 0.000 0.987 403 E CA 0.581 56.859 56.400 -0.204 0.000 0.841 403 E CB 0.300 29.930 29.700 -0.116 0.000 0.783 403 E HN 0.478 nan 8.360 nan 0.000 0.481 404 K N 0.794 121.145 120.400 -0.082 0.000 1.991 404 K HA -0.112 4.208 4.320 -0.000 0.000 0.212 404 K C 2.018 178.537 176.600 -0.136 0.000 1.049 404 K CA 1.869 58.119 56.287 -0.061 0.000 0.932 404 K CB -0.681 31.757 32.500 -0.103 0.000 0.717 404 K HN -0.062 nan 8.250 nan 0.000 0.441 405 T N 0.423 114.892 114.554 -0.142 0.000 2.778 405 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 405 T C 1.705 176.331 174.700 -0.125 0.000 1.050 405 T CA 1.360 63.382 62.100 -0.130 0.000 1.137 405 T CB -0.430 68.386 68.868 -0.087 0.000 0.860 405 T HN 0.408 nan 8.240 nan 0.000 0.468 406 A N 0.580 123.287 122.820 -0.188 0.000 1.968 406 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 406 A C 1.839 179.312 177.584 -0.184 0.000 1.169 406 A CA 1.349 53.262 52.037 -0.206 0.000 0.638 406 A CB -0.635 18.205 19.000 -0.267 0.000 0.812 406 A HN 0.646 nan 8.150 nan 0.000 0.446 407 H N -0.655 118.374 119.070 -0.070 0.000 2.333 407 H HA -0.077 4.479 4.556 -0.000 0.000 0.302 407 H C 2.284 177.590 175.328 -0.036 0.000 1.075 407 H CA 1.606 57.617 56.048 -0.061 0.000 1.348 407 H CB -0.060 29.645 29.762 -0.095 0.000 1.393 407 H HN 0.550 nan 8.280 nan 0.000 0.509 408 Q N 0.491 120.283 119.800 -0.013 0.000 2.181 408 Q HA -0.137 4.203 4.340 -0.000 0.000 0.205 408 Q C 1.891 178.011 176.000 0.199 0.000 0.980 408 Q CA 1.068 56.877 55.803 0.009 0.000 0.862 408 Q CB -0.049 28.503 28.738 -0.310 0.000 0.905 408 Q HN 0.503 nan 8.270 nan 0.000 0.429 409 L N 0.015 121.292 121.223 0.090 0.000 2.622 409 L HA -0.087 4.253 4.340 -0.000 0.000 0.233 409 L C 1.883 178.808 176.870 0.093 0.000 1.156 409 L CA 0.037 54.929 54.840 0.087 0.000 0.866 409 L CB -0.123 41.959 42.059 0.040 0.000 0.980 409 L HN 0.075 nan 8.230 nan 0.000 0.448 410 V N -0.347 119.640 119.914 0.121 0.000 2.548 410 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 410 V C 2.272 178.429 176.094 0.104 0.000 1.055 410 V CA 1.082 63.446 62.300 0.106 0.000 1.065 410 V CB -0.153 31.750 31.823 0.133 0.000 0.681 410 V HN 0.334 nan 8.190 nan 0.000 0.462 411 L N 0.207 121.521 121.223 0.152 0.000 2.131 411 L HA 0.013 4.353 4.340 -0.000 0.000 0.210 411 L C 1.501 178.388 176.870 0.028 0.000 1.092 411 L CA 1.200 56.085 54.840 0.075 0.000 0.759 411 L CB -0.485 41.572 42.059 -0.004 0.000 0.903 411 L HN 0.257 nan 8.230 nan 0.000 0.435 412 S N 0.765 116.492 115.700 0.046 0.000 2.549 412 S HA 0.030 4.500 4.470 -0.000 0.000 0.283 412 S C 0.201 174.798 174.600 -0.006 0.000 1.320 412 S CA -0.242 57.964 58.200 0.011 0.000 1.058 412 S CB 0.343 63.555 63.200 0.021 0.000 0.882 412 S HN 0.215 nan 8.310 nan 0.000 0.498 413 K N 1.472 121.849 120.400 -0.038 0.000 2.436 413 K HA 0.204 4.524 4.320 -0.000 0.000 0.275 413 K C 1.453 178.036 176.600 -0.027 0.000 0.999 413 K CA 0.798 57.063 56.287 -0.036 0.000 0.980 413 K CB -0.129 32.331 32.500 -0.066 0.000 0.919 413 K HN 0.842 nan 8.250 nan 0.000 0.484 414 G N 1.952 110.752 108.800 -0.000 0.000 2.300 414 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.267 414 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.267 414 G C 0.246 175.155 174.900 0.014 0.000 0.980 414 G CA 0.714 45.821 45.100 0.011 0.000 0.635 414 G HN 0.495 nan 8.290 nan 0.000 0.552 415 V N 0.156 120.076 119.914 0.010 0.000 2.811 415 V HA 0.479 4.598 4.120 -0.000 0.000 0.302 415 V C 0.592 176.700 176.094 0.023 0.000 1.063 415 V CA -0.042 62.269 62.300 0.018 0.000 1.088 415 V CB 1.827 33.662 31.823 0.020 0.000 0.982 415 V HN 0.279 nan 8.190 nan 0.000 0.485 416 V N 6.494 126.421 119.914 0.023 0.000 2.445 416 V HA 0.326 4.446 4.120 -0.000 0.000 0.283 416 V C -2.267 173.835 176.094 0.014 0.000 1.014 416 V CA -1.283 61.029 62.300 0.020 0.000 0.852 416 V CB 1.951 33.785 31.823 0.019 0.000 1.021 416 V HN 0.780 nan 8.190 nan 0.000 0.435 417 P HA 0.355 nan 4.420 nan 0.000 0.274 417 P C -1.024 176.266 177.300 -0.015 0.000 1.246 417 P CA -0.326 62.770 63.100 -0.008 0.000 0.795 417 P CB 0.982 32.667 31.700 -0.026 0.000 1.006 418 Q N 0.136 119.922 119.800 -0.023 0.000 2.313 418 Q HA 0.337 4.677 4.340 -0.000 0.000 0.255 418 Q C -1.274 174.705 176.000 -0.036 0.000 0.944 418 Q CA -0.891 54.896 55.803 -0.026 0.000 0.881 418 Q CB 2.170 30.899 28.738 -0.015 0.000 1.375 418 Q HN 0.289 nan 8.270 nan 0.000 0.422 419 L N 3.565 124.757 121.223 -0.051 0.000 2.371 419 L HA 0.603 4.943 4.340 -0.000 0.000 0.272 419 L C -0.763 176.087 176.870 -0.034 0.000 1.124 419 L CA -0.084 54.721 54.840 -0.058 0.000 0.816 419 L CB 1.416 43.425 42.059 -0.083 0.000 1.129 419 L HN 0.481 nan 8.230 nan 0.000 0.448 420 V N 1.047 120.944 119.914 -0.028 0.000 3.012 420 V HA 0.460 4.580 4.120 -0.000 0.000 0.307 420 V C 0.639 176.722 176.094 -0.018 0.000 1.166 420 V CA -0.678 61.612 62.300 -0.017 0.000 0.974 420 V CB 1.556 33.378 31.823 -0.002 0.000 1.040 420 V HN 0.560 nan 8.190 nan 0.000 0.428 421 K N 1.063 121.454 120.400 -0.015 0.000 2.103 421 K HA 0.082 4.402 4.320 -0.000 0.000 0.207 421 K C 0.569 177.161 176.600 -0.014 0.000 1.048 421 K CA 2.056 58.334 56.287 -0.015 0.000 0.930 421 K CB -0.401 32.091 32.500 -0.013 0.000 0.716 421 K HN 1.144 nan 8.250 nan 0.000 0.444 422 E N -2.557 117.638 120.200 -0.009 0.000 2.377 422 E HA 0.413 4.763 4.350 -0.000 0.000 0.277 422 E C -2.058 174.544 176.600 0.003 0.000 1.190 422 E CA -0.467 55.928 56.400 -0.008 0.000 0.917 422 E CB 0.566 30.259 29.700 -0.011 0.000 1.296 422 E HN 0.088 nan 8.360 nan 0.000 0.417 423 I N 2.057 122.628 120.570 0.002 0.000 2.586 423 I HA 0.284 4.454 4.170 -0.000 0.000 0.288 423 I C 0.901 177.014 176.117 -0.006 0.000 1.147 423 I CA -0.291 61.019 61.300 0.018 0.000 1.047 423 I CB 2.198 40.218 38.000 0.033 0.000 1.244 423 I HN 0.768 nan 8.210 nan 0.000 0.429 424 T N 0.471 115.024 114.554 -0.002 0.000 3.035 424 T HA 0.151 4.501 4.350 -0.000 0.000 0.259 424 T C 0.655 175.347 174.700 -0.015 0.000 1.078 424 T CA 0.750 62.845 62.100 -0.009 0.000 1.132 424 T CB 0.139 69.004 68.868 -0.003 0.000 0.900 424 T HN 0.673 nan 8.240 nan 0.000 0.480 425 S N -1.099 114.593 115.700 -0.012 0.000 2.636 425 S HA 0.381 4.851 4.470 -0.000 0.000 0.268 425 S C 0.670 175.247 174.600 -0.039 0.000 1.159 425 S CA -0.146 58.040 58.200 -0.023 0.000 0.815 425 S CB 0.954 64.154 63.200 0.001 0.000 1.130 425 S HN -0.006 nan 8.310 nan 0.000 0.471 426 T N 1.356 115.870 114.554 -0.066 0.000 2.759 426 T HA -0.090 4.260 4.350 -0.000 0.000 0.269 426 T C 0.871 175.439 174.700 -0.219 0.000 1.042 426 T CA 1.975 63.978 62.100 -0.161 0.000 1.140 426 T CB -0.637 68.204 68.868 -0.044 0.000 0.864 426 T HN 0.639 nan 8.240 nan 0.000 0.455 427 D N 0.605 121.015 120.400 0.017 0.000 2.194 427 D HA -0.049 4.591 4.640 -0.000 0.000 0.204 427 D C 1.997 178.332 176.300 0.058 0.000 0.964 427 D CA 0.751 54.837 54.000 0.143 0.000 0.846 427 D CB -0.374 40.522 40.800 0.160 0.000 0.962 427 D HN 0.299 nan 8.370 nan 0.000 0.490 428 D N 0.124 120.538 120.400 0.023 0.000 2.144 428 D HA -0.184 4.456 4.640 -0.000 0.000 0.199 428 D C 1.892 178.187 176.300 -0.007 0.000 0.984 428 D CA 0.510 54.518 54.000 0.013 0.000 0.834 428 D CB -0.259 40.550 40.800 0.015 0.000 0.955 428 D HN 0.080 nan 8.370 nan 0.000 0.465 429 F N 0.360 120.194 119.950 -0.194 0.000 2.069 429 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 429 F C 1.793 177.460 175.800 -0.222 0.000 1.113 429 F CA 1.546 59.395 58.000 -0.252 0.000 1.214 429 F CB -0.927 37.835 39.000 -0.396 0.000 0.978 429 F HN -0.028 nan 8.300 nan 0.000 0.474 430 Y N 0.880 120.994 120.300 -0.311 0.000 2.128 430 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 430 Y C 2.846 178.473 175.900 -0.455 0.000 1.154 430 Y CA 1.803 59.572 58.100 -0.552 0.000 1.149 430 Y CB -1.289 36.916 38.460 -0.425 0.000 0.976 430 Y HN 0.079 nan 8.280 nan 0.000 0.505 431 R N 1.075 121.516 120.500 -0.099 0.000 2.073 431 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 431 R C 2.161 178.384 176.300 -0.128 0.000 1.134 431 R CA 1.622 57.669 56.100 -0.088 0.000 0.952 431 R CB -1.109 29.176 30.300 -0.025 0.000 0.850 431 R HN 0.432 nan 8.270 nan 0.000 0.433 432 L N 1.161 122.299 121.223 -0.141 0.000 1.970 432 L HA -0.026 4.314 4.340 -0.000 0.000 0.212 432 L C 2.480 179.239 176.870 -0.185 0.000 1.071 432 L CA 2.634 57.397 54.840 -0.129 0.000 0.751 432 L CB -1.402 40.603 42.059 -0.090 0.000 0.889 432 L HN 0.345 nan 8.230 nan 0.000 0.432 433 G N -0.611 107.984 108.800 -0.341 0.000 2.547 433 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.221 433 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.221 433 G C 1.646 176.408 174.900 -0.230 0.000 1.140 433 G CA 1.302 46.188 45.100 -0.358 0.000 0.760 433 G HN 0.512 nan 8.290 nan 0.000 0.583 434 K N 0.308 120.576 120.400 -0.220 0.000 2.217 434 K HA 0.014 4.334 4.320 -0.000 0.000 0.202 434 K C 2.390 178.926 176.600 -0.107 0.000 1.051 434 K CA 1.052 57.251 56.287 -0.147 0.000 0.952 434 K CB -0.064 32.356 32.500 -0.133 0.000 0.736 434 K HN 0.443 nan 8.250 nan 0.000 0.453 435 E N 1.149 121.288 120.200 -0.102 0.000 2.015 435 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 435 E C 2.073 178.628 176.600 -0.074 0.000 0.991 435 E CA 1.019 57.375 56.400 -0.073 0.000 0.802 435 E CB -0.138 29.526 29.700 -0.060 0.000 0.759 435 E HN 0.185 nan 8.360 nan 0.000 0.447 436 L N 0.767 121.942 121.223 -0.079 0.000 2.042 436 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 436 L C 2.669 179.494 176.870 -0.075 0.000 1.076 436 L CA 1.084 55.883 54.840 -0.069 0.000 0.749 436 L CB -0.734 41.287 42.059 -0.063 0.000 0.893 436 L HN 0.160 nan 8.230 nan 0.000 0.432 437 A N 0.264 123.030 122.820 -0.089 0.000 1.908 437 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 437 A C 2.295 179.811 177.584 -0.113 0.000 1.181 437 A CA 1.513 53.497 52.037 -0.088 0.000 0.627 437 A CB -0.658 18.291 19.000 -0.084 0.000 0.818 437 A HN 0.369 nan 8.150 nan 0.000 0.445 438 L N -1.021 120.134 121.223 -0.114 0.000 2.093 438 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 438 L C 2.836 179.622 176.870 -0.139 0.000 1.085 438 L CA 1.314 56.067 54.840 -0.146 0.000 0.755 438 L CB -0.469 41.530 42.059 -0.100 0.000 0.904 438 L HN 0.499 nan 8.230 nan 0.000 0.435 439 Q N -0.766 118.980 119.800 -0.091 0.000 2.224 439 Q HA -0.131 4.209 4.340 -0.000 0.000 0.203 439 Q C 2.259 178.220 176.000 -0.064 0.000 0.970 439 Q CA 1.364 57.127 55.803 -0.066 0.000 0.865 439 Q CB -0.009 28.702 28.738 -0.046 0.000 0.922 439 Q HN 0.421 nan 8.270 nan 0.000 0.445 440 S N -0.467 115.188 115.700 -0.074 0.000 2.442 440 S HA -0.072 4.398 4.470 -0.000 0.000 0.236 440 S C 1.552 176.118 174.600 -0.056 0.000 1.007 440 S CA 0.863 59.030 58.200 -0.055 0.000 0.965 440 S CB -0.159 63.009 63.200 -0.053 0.000 0.773 440 S HN 0.709 nan 8.310 nan 0.000 0.504 441 G N 0.855 109.587 108.800 -0.113 0.000 2.212 441 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.266 441 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.266 441 G C 0.749 175.604 174.900 -0.074 0.000 0.978 441 G CA 0.550 45.596 45.100 -0.090 0.000 0.632 441 G HN 0.506 nan 8.290 nan 0.000 0.537 442 L N 0.045 121.216 121.223 -0.087 0.000 2.291 442 L HA 0.436 4.776 4.340 -0.000 0.000 0.214 442 L C 1.591 178.434 176.870 -0.045 0.000 1.120 442 L CA 1.250 56.076 54.840 -0.024 0.000 0.799 442 L CB -0.339 41.710 42.059 -0.017 0.000 0.925 442 L HN 0.694 nan 8.230 nan 0.000 0.446 443 A N -1.956 120.709 122.820 -0.258 0.000 2.594 443 A HA 0.711 5.031 4.320 -0.000 0.000 0.291 443 A C -1.116 176.043 177.584 -0.708 0.000 1.105 443 A CA -0.611 51.299 52.037 -0.212 0.000 0.694 443 A CB 1.290 20.235 19.000 -0.092 0.000 1.291 443 A HN 0.098 nan 8.150 nan 0.000 0.410 444 H N 0.435 119.508 119.070 0.004 0.000 2.941 444 H HA 0.355 4.911 4.556 -0.000 0.000 0.344 444 H C -0.693 174.636 175.328 0.002 0.000 1.235 444 H CA -0.988 55.061 56.048 0.002 0.000 1.149 444 H CB 1.055 30.820 29.762 0.004 0.000 1.885 444 H HN 0.539 nan 8.280 nan 0.000 0.558 445 K N 0.668 121.142 120.400 0.122 0.000 2.485 445 K HA 0.040 4.360 4.320 -0.000 0.000 0.277 445 K C 1.167 177.808 176.600 0.067 0.000 0.990 445 K CA 1.112 57.439 56.287 0.066 0.000 0.994 445 K CB 0.285 32.818 32.500 0.055 0.000 0.906 445 K HN 1.022 nan 8.250 nan 0.000 0.488 446 G N 2.429 111.255 108.800 0.043 0.000 2.268 446 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.240 446 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.240 446 G C -0.106 174.817 174.900 0.039 0.000 1.010 446 G CA 0.077 45.198 45.100 0.035 0.000 0.618 446 G HN 0.608 nan 8.290 nan 0.000 0.516 447 D N 0.983 121.416 120.400 0.055 0.000 2.382 447 D HA 0.454 5.094 4.640 -0.000 0.000 0.245 447 D C 0.910 177.232 176.300 0.037 0.000 1.120 447 D CA -0.038 53.993 54.000 0.052 0.000 0.890 447 D CB 1.694 42.536 40.800 0.071 0.000 1.201 447 D HN 0.227 nan 8.370 nan 0.000 0.433 448 V N 2.073 122.007 119.914 0.034 0.000 2.834 448 V HA 0.352 4.472 4.120 -0.000 0.000 0.301 448 V C 0.475 176.592 176.094 0.038 0.000 1.066 448 V CA -0.361 61.958 62.300 0.030 0.000 1.052 448 V CB 1.730 33.565 31.823 0.019 0.000 1.021 448 V HN 0.247 nan 8.190 nan 0.000 0.480 449 V N 3.875 123.820 119.914 0.051 0.000 2.711 449 V HA 0.324 4.444 4.120 -0.000 0.000 0.304 449 V C -0.468 175.675 176.094 0.082 0.000 1.097 449 V CA -0.547 61.786 62.300 0.055 0.000 0.906 449 V CB 2.329 34.172 31.823 0.034 0.000 1.015 449 V HN 0.618 nan 8.190 nan 0.000 0.427 450 V N 5.964 125.926 119.914 0.079 0.000 2.607 450 V HA 0.527 4.647 4.120 -0.000 0.000 0.289 450 V C 0.113 176.298 176.094 0.152 0.000 1.053 450 V CA -0.232 62.133 62.300 0.107 0.000 0.996 450 V CB 1.481 33.352 31.823 0.081 0.000 0.995 450 V HN 0.798 nan 8.190 nan 0.000 0.476 451 M N 4.661 124.400 119.600 0.231 0.000 2.259 451 M HA 0.609 5.089 4.480 -0.000 0.000 0.304 451 M C -1.251 175.294 176.300 0.409 0.000 1.019 451 M CA -0.530 54.987 55.300 0.363 0.000 0.922 451 M CB 2.104 35.017 32.600 0.522 0.000 1.600 451 M HN 0.377 nan 8.290 nan 0.000 0.433 452 V N 1.621 121.738 119.914 0.338 0.000 2.960 452 V HA 0.928 5.048 4.120 -0.000 0.000 0.315 452 V C -0.160 175.957 176.094 0.039 0.000 1.087 452 V CA -0.382 62.030 62.300 0.186 0.000 0.982 452 V CB 2.203 34.097 31.823 0.118 0.000 1.039 452 V HN 1.102 nan 8.190 nan 0.000 0.437 453 S N 0.929 116.589 115.700 -0.067 0.000 2.692 453 S HA 0.526 4.996 4.470 -0.000 0.000 0.266 453 S C -0.512 173.991 174.600 -0.162 0.000 1.012 453 S CA -0.291 57.749 58.200 -0.267 0.000 0.903 453 S CB 0.611 63.400 63.200 -0.686 0.000 1.164 453 S HN 1.518 nan 8.310 nan 0.000 0.472 454 G N -0.220 108.465 108.800 -0.192 0.000 2.451 454 G HA2 0.842 4.802 3.960 -0.000 0.000 0.303 454 G HA3 0.842 4.802 3.960 -0.000 0.000 0.303 454 G C -0.318 174.510 174.900 -0.119 0.000 1.166 454 G CA -0.477 44.553 45.100 -0.117 0.000 0.884 454 G HN 1.736 nan 8.290 nan 0.000 0.514 455 A N 0.475 123.256 122.820 -0.065 0.000 2.456 455 A HA 0.558 4.878 4.320 -0.000 0.000 0.288 455 A C -0.034 177.533 177.584 -0.028 0.000 1.042 455 A CA -0.575 51.436 52.037 -0.045 0.000 0.738 455 A CB 0.890 19.884 19.000 -0.010 0.000 1.266 455 A HN 1.445 nan 8.150 nan 0.000 0.407 456 L N 0.122 121.328 121.223 -0.029 0.000 3.976 456 L HA -0.220 4.120 4.340 -0.000 0.000 0.418 456 L C 0.236 177.094 176.870 -0.020 0.000 1.177 456 L CA 1.740 56.568 54.840 -0.020 0.000 0.968 456 L CB -2.463 39.591 42.059 -0.009 0.000 1.933 456 L HN 1.577 nan 8.230 nan 0.000 0.976 457 V N -4.276 115.621 119.914 -0.028 0.000 2.808 457 V HA 0.928 5.048 4.120 -0.000 0.000 0.308 457 V C -1.900 174.175 176.094 -0.031 0.000 1.099 457 V CA -1.765 60.521 62.300 -0.024 0.000 0.920 457 V CB 1.666 33.477 31.823 -0.020 0.000 1.014 457 V HN 0.035 nan 8.190 nan 0.000 0.425 458 P HA 0.206 nan 4.420 nan 0.000 0.272 458 P C 0.213 177.495 177.300 -0.029 0.000 1.243 458 P CA 0.056 63.140 63.100 -0.026 0.000 0.803 458 P CB 0.083 31.771 31.700 -0.019 0.000 0.974 459 S N -1.445 114.238 115.700 -0.029 0.000 2.579 459 S HA 0.409 4.879 4.470 -0.000 0.000 0.275 459 S C 1.248 175.836 174.600 -0.020 0.000 1.345 459 S CA 0.093 58.276 58.200 -0.029 0.000 1.031 459 S CB -0.072 63.110 63.200 -0.031 0.000 0.892 459 S HN 1.082 nan 8.310 nan 0.000 0.529 460 G N 0.564 109.353 108.800 -0.018 0.000 2.141 460 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.242 460 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.242 460 G C 0.010 174.905 174.900 -0.008 0.000 0.982 460 G CA 0.041 45.136 45.100 -0.010 0.000 0.662 460 G HN 1.107 nan 8.290 nan 0.000 0.527 461 T N 1.060 115.605 114.554 -0.015 0.000 3.050 461 T HA 0.554 4.904 4.350 -0.000 0.000 0.310 461 T C -0.236 174.453 174.700 -0.018 0.000 0.978 461 T CA -0.044 62.049 62.100 -0.011 0.000 1.013 461 T CB 1.877 70.737 68.868 -0.013 0.000 1.000 461 T HN 0.209 nan 8.240 nan 0.000 0.447 462 T N 3.775 118.325 114.554 -0.007 0.000 2.837 462 T HA 0.488 4.838 4.350 -0.000 0.000 0.285 462 T C 0.813 175.514 174.700 0.001 0.000 0.984 462 T CA -0.710 61.384 62.100 -0.009 0.000 1.049 462 T CB 0.537 69.410 68.868 0.010 0.000 0.947 462 T HN 0.770 nan 8.240 nan 0.000 0.472 463 N N -0.262 118.437 118.700 -0.001 0.000 2.036 463 N HA 0.059 4.799 4.740 -0.000 0.000 0.224 463 N C -0.803 174.722 175.510 0.026 0.000 1.381 463 N CA -0.420 52.637 53.050 0.011 0.000 0.746 463 N CB 0.570 39.060 38.487 0.005 0.000 1.213 463 N HN 0.415 nan 8.380 nan 0.000 0.524 464 T N 0.413 114.990 114.554 0.039 0.000 2.993 464 T HA 0.842 5.191 4.350 -0.000 0.000 0.312 464 T C -1.358 173.419 174.700 0.129 0.000 1.115 464 T CA -0.441 61.709 62.100 0.082 0.000 1.027 464 T CB 1.999 70.929 68.868 0.103 0.000 1.116 464 T HN 0.407 nan 8.240 nan 0.000 0.464 465 A N 1.738 124.639 122.820 0.135 0.000 2.454 465 A HA 0.957 5.277 4.320 -0.000 0.000 0.302 465 A C -0.619 177.048 177.584 0.138 0.000 1.079 465 A CA -0.856 51.273 52.037 0.154 0.000 0.731 465 A CB 2.024 21.079 19.000 0.093 0.000 1.299 465 A HN 0.740 nan 8.150 nan 0.000 0.413 466 S N 0.325 116.111 115.700 0.144 0.000 2.562 466 S HA 0.559 5.029 4.470 -0.000 0.000 0.274 466 S C -1.247 173.373 174.600 0.033 0.000 1.160 466 S CA -0.366 57.839 58.200 0.010 0.000 0.933 466 S CB 1.195 64.349 63.200 -0.078 0.000 1.100 466 S HN 1.024 nan 8.310 nan 0.000 0.468 467 V N 5.863 125.708 119.914 -0.115 0.000 2.617 467 V HA 0.660 4.780 4.120 -0.000 0.000 0.298 467 V C -0.340 175.602 176.094 -0.253 0.000 1.048 467 V CA -0.332 61.921 62.300 -0.078 0.000 0.964 467 V CB 1.512 33.283 31.823 -0.087 0.000 1.004 467 V HN 0.899 nan 8.190 nan 0.000 0.466 468 H N 1.293 120.314 119.070 -0.083 0.000 3.085 468 H HA 0.415 4.971 4.556 -0.000 0.000 0.356 468 H C -1.496 173.801 175.328 -0.051 0.000 1.178 468 H CA -0.519 55.477 56.048 -0.087 0.000 1.214 468 H CB 2.342 32.039 29.762 -0.107 0.000 1.881 468 H HN 0.393 nan 8.280 nan 0.000 0.538 469 V N 4.350 124.307 119.914 0.072 0.000 2.427 469 V HA 0.241 4.361 4.120 -0.000 0.000 0.286 469 V C 0.721 176.840 176.094 0.043 0.000 1.034 469 V CA -0.565 61.759 62.300 0.041 0.000 0.893 469 V CB 1.349 33.181 31.823 0.014 0.000 0.982 469 V HN 0.425 nan 8.190 nan 0.000 0.452 470 L N 0.000 121.240 121.223 0.028 0.000 2.949 470 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 470 L CA 0.000 54.846 54.840 0.011 0.000 0.813 470 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 470 L HN 0.000 nan 8.230 nan 0.000 0.502