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 3fmw_1_A DATA FIRST_RESID 14 DATA SEQUENCE DVVVVGGGPV GLMLAGELRA GGVGALVLEK LVEPVGHDRA GALHIRTVET DATA SEQUENCE LDLRGLLDRF LEGTQVAKGL PFAGIFTQGL DFGLVDTRHP YTGLVPQSRT DATA SEQUENCE EALLAEHARE AGAEIPRGHE VTRLRQDAEA VEVTVAGPSG PYPVRARYGV DATA SEQUENCE GCDGGRSTVR RLAADRFPGT EATVRALIGY VTTPEREVPR RWERTPDGIL DATA SEQUENCE VLAFPPXXXX XXGWSSSSTG HSXXXXXGPV TLEDLGAAVA RVRGTPLTLT DATA SEQUENCE EPVSWLSRFG DASRQAKRYR SGRVLLAGDA AHVHFPIGGQ GLNTGLQDAV DATA SEQUENCE NLGWKLAARV RGWGSEELLD TYHDERHPVA ERVLLNTRAQ LALMRPDEQH DATA SEQUENCE TTPLRGFVEE LLGTDEVNRY FTGMITGTDV RYATFAPXXX XRPHPWPGRF DATA SEQUENCE AGGLVLSRPS GEPVPVAELL RSARPLLLDL AGRADLREAT RPWSDRVSVV DATA SEQUENCE AGEATVEPPA QALLVRPDGY VAWAGSPAAT ADELRASLAR WFGPPAN 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 14 D HA 0.000 nan 4.640 nan 0.000 0.175 14 D C 0.000 176.327 176.300 0.045 0.000 2.045 14 D CA 0.000 54.015 54.000 0.025 0.000 0.868 14 D CB 0.000 40.814 40.800 0.023 0.000 0.688 15 V N 1.832 121.769 119.914 0.039 0.000 2.686 15 V HA 0.584 4.703 4.120 -0.003 0.000 0.306 15 V C -0.595 175.518 176.094 0.030 0.000 1.065 15 V CA -0.728 61.604 62.300 0.053 0.000 0.894 15 V CB 2.298 34.147 31.823 0.044 0.000 1.004 15 V HN 0.101 nan 8.190 nan 0.000 0.424 16 V N 5.367 125.301 119.914 0.032 0.000 2.334 16 V HA 0.418 4.537 4.120 -0.003 0.000 0.281 16 V C -0.121 175.984 176.094 0.019 0.000 1.016 16 V CA -0.593 61.719 62.300 0.021 0.000 0.832 16 V CB 1.794 33.630 31.823 0.022 0.000 0.999 16 V HN 0.622 nan 8.190 nan 0.000 0.439 17 V N 7.268 127.189 119.914 0.013 0.000 2.481 17 V HA 0.512 4.630 4.120 -0.003 0.000 0.286 17 V C -0.163 175.936 176.094 0.009 0.000 1.042 17 V CA -0.121 62.184 62.300 0.008 0.000 0.928 17 V CB 1.987 33.814 31.823 0.007 0.000 0.986 17 V HN 0.622 nan 8.190 nan 0.000 0.462 18 V N 6.301 126.219 119.914 0.005 0.000 2.318 18 V HA 0.888 5.006 4.120 -0.003 0.000 0.271 18 V C 0.498 176.593 176.094 0.003 0.000 1.030 18 V CA 0.327 62.631 62.300 0.005 0.000 0.844 18 V CB 0.141 31.963 31.823 -0.001 0.000 1.015 18 V HN 1.439 nan 8.190 nan 0.000 0.460 19 G N 3.066 111.872 108.800 0.010 0.000 3.088 19 G HA2 0.263 4.222 3.960 -0.003 0.000 0.620 19 G HA3 0.263 4.222 3.960 -0.003 0.000 0.620 19 G C 0.149 175.060 174.900 0.017 0.000 1.375 19 G CA -0.449 44.657 45.100 0.011 0.000 1.016 19 G HN 1.051 nan 8.290 nan 0.000 0.590 20 G N 0.494 109.307 108.800 0.022 0.000 3.383 20 G HA2 0.572 4.531 3.960 -0.003 0.000 0.251 20 G HA3 0.572 4.531 3.960 -0.003 0.000 0.251 20 G C 1.058 175.974 174.900 0.026 0.000 1.203 20 G CA 0.999 46.115 45.100 0.026 0.000 0.852 20 G HN 1.262 nan 8.290 nan 0.000 0.531 21 G N 0.503 109.316 108.800 0.021 0.000 2.653 21 G HA2 0.364 4.322 3.960 -0.003 0.000 0.265 21 G HA3 0.364 4.322 3.960 -0.003 0.000 0.265 21 G C -0.939 173.979 174.900 0.029 0.000 1.237 21 G CA -0.703 44.408 45.100 0.019 0.000 0.946 21 G HN 0.005 nan 8.290 nan 0.000 0.522 22 P HA -0.134 nan 4.420 nan 0.000 0.212 22 P C 2.232 179.564 177.300 0.054 0.000 1.178 22 P CA 1.277 64.405 63.100 0.047 0.000 0.915 22 P CB -0.150 31.576 31.700 0.042 0.000 0.788 23 V N -0.025 119.920 119.914 0.051 0.000 2.313 23 V HA -0.288 3.830 4.120 -0.003 0.000 0.253 23 V C 2.570 178.696 176.094 0.053 0.000 1.070 23 V CA 2.589 64.925 62.300 0.061 0.000 1.057 23 V CB -2.055 29.803 31.823 0.059 0.000 0.653 23 V HN 0.256 nan 8.190 nan 0.000 0.450 24 G N -0.583 108.241 108.800 0.040 0.000 2.404 24 G HA2 -0.168 3.791 3.960 -0.003 0.000 0.215 24 G HA3 -0.168 3.791 3.960 -0.003 0.000 0.215 24 G C 1.553 176.480 174.900 0.045 0.000 1.174 24 G CA 0.920 46.041 45.100 0.035 0.000 0.780 24 G HN 0.469 nan 8.290 nan 0.000 0.537 25 L N -0.458 120.797 121.223 0.053 0.000 2.017 25 L HA -0.099 4.239 4.340 -0.003 0.000 0.208 25 L C 2.829 179.751 176.870 0.087 0.000 1.073 25 L CA 1.551 56.432 54.840 0.069 0.000 0.745 25 L CB -0.442 41.661 42.059 0.074 0.000 0.894 25 L HN 0.275 nan 8.230 nan 0.000 0.432 26 M N 0.263 119.912 119.600 0.082 0.000 2.073 26 M HA -0.253 4.225 4.480 -0.003 0.000 0.258 26 M C 2.124 178.476 176.300 0.086 0.000 1.070 26 M CA 1.917 57.267 55.300 0.083 0.000 1.103 26 M CB -0.578 32.065 32.600 0.072 0.000 1.321 26 M HN 0.119 nan 8.290 nan 0.000 0.405 27 L N 0.406 121.671 121.223 0.070 0.000 2.079 27 L HA -0.092 4.246 4.340 -0.003 0.000 0.210 27 L C 2.320 179.223 176.870 0.056 0.000 1.081 27 L CA 2.235 57.108 54.840 0.055 0.000 0.752 27 L CB -1.275 40.801 42.059 0.028 0.000 0.896 27 L HN 0.411 nan 8.230 nan 0.000 0.433 28 A N -0.628 122.229 122.820 0.061 0.000 1.877 28 A HA -0.102 4.216 4.320 -0.003 0.000 0.216 28 A C 2.377 180.015 177.584 0.090 0.000 1.186 28 A CA 1.681 53.755 52.037 0.062 0.000 0.620 28 A CB -1.620 17.415 19.000 0.057 0.000 0.822 28 A HN 0.514 nan 8.150 nan 0.000 0.443 29 G N -0.443 108.438 108.800 0.136 0.000 2.446 29 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.217 29 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.217 29 G C 1.353 176.356 174.900 0.173 0.000 1.168 29 G CA 1.050 46.274 45.100 0.207 0.000 0.771 29 G HN 0.484 nan 8.290 nan 0.000 0.551 30 E N 0.387 120.673 120.200 0.144 0.000 2.204 30 E HA -0.028 4.321 4.350 -0.003 0.000 0.195 30 E C 2.642 179.319 176.600 0.129 0.000 0.990 30 E CA 0.393 56.882 56.400 0.148 0.000 0.821 30 E CB -0.229 29.562 29.700 0.151 0.000 0.750 30 E HN 0.467 nan 8.360 nan 0.000 0.477 31 L N 0.293 121.570 121.223 0.089 0.000 2.109 31 L HA -0.098 4.241 4.340 -0.003 0.000 0.207 31 L C 2.524 179.436 176.870 0.071 0.000 1.086 31 L CA 0.729 55.605 54.840 0.060 0.000 0.760 31 L CB -0.189 41.886 42.059 0.027 0.000 0.910 31 L HN -0.025 nan 8.230 nan 0.000 0.437 32 R N 0.246 120.792 120.500 0.076 0.000 2.073 32 R HA 0.011 4.349 4.340 -0.003 0.000 0.229 32 R C 2.273 178.625 176.300 0.088 0.000 1.120 32 R CA 1.314 57.455 56.100 0.068 0.000 0.967 32 R CB -0.882 29.447 30.300 0.048 0.000 0.862 32 R HN 0.281 nan 8.270 nan 0.000 0.436 33 A N 0.351 123.240 122.820 0.116 0.000 2.076 33 A HA -0.057 4.262 4.320 -0.003 0.000 0.220 33 A C 1.995 179.667 177.584 0.146 0.000 1.160 33 A CA 1.705 53.821 52.037 0.131 0.000 0.653 33 A CB -0.594 18.501 19.000 0.160 0.000 0.801 33 A HN 0.410 nan 8.150 nan 0.000 0.455 34 G N -2.086 106.807 108.800 0.156 0.000 3.088 34 G HA2 0.397 4.355 3.960 -0.003 0.000 0.217 34 G HA3 0.397 4.355 3.960 -0.003 0.000 0.217 34 G C 0.978 175.988 174.900 0.184 0.000 1.159 34 G CA 0.430 45.651 45.100 0.201 0.000 0.760 34 G HN 1.573 nan 8.290 nan 0.000 0.550 35 G N -1.019 107.861 108.800 0.133 0.000 2.204 35 G HA2 -0.104 3.854 3.960 -0.003 0.000 0.244 35 G HA3 -0.104 3.854 3.960 -0.003 0.000 0.244 35 G C -0.254 174.696 174.900 0.082 0.000 1.062 35 G CA 0.070 45.239 45.100 0.116 0.000 0.798 35 G HN 0.840 nan 8.290 nan 0.000 0.496 36 V N -0.597 119.353 119.914 0.059 0.000 2.925 36 V HA 0.833 4.951 4.120 -0.003 0.000 0.311 36 V C 0.962 177.074 176.094 0.030 0.000 1.104 36 V CA -0.311 62.009 62.300 0.034 0.000 0.954 36 V CB 2.074 33.903 31.823 0.011 0.000 1.022 36 V HN 0.967 nan 8.190 nan 0.000 0.427 37 G N 2.151 110.965 108.800 0.023 0.000 2.378 37 G HA2 0.547 4.505 3.960 -0.003 0.000 0.255 37 G HA3 0.547 4.505 3.960 -0.003 0.000 0.255 37 G C -0.148 174.761 174.900 0.015 0.000 1.270 37 G CA 0.452 45.562 45.100 0.017 0.000 0.876 37 G HN 1.180 nan 8.290 nan 0.000 0.521 38 A N 2.071 124.899 122.820 0.014 0.000 2.342 38 A HA 0.713 5.031 4.320 -0.003 0.000 0.323 38 A C -1.032 176.555 177.584 0.005 0.000 1.125 38 A CA -0.633 51.412 52.037 0.013 0.000 0.785 38 A CB 1.836 20.849 19.000 0.022 0.000 1.221 38 A HN 1.017 nan 8.150 nan 0.000 0.463 39 L N 3.348 124.573 121.223 0.003 0.000 2.404 39 L HA 0.623 4.962 4.340 -0.003 0.000 0.272 39 L C -1.200 175.668 176.870 -0.004 0.000 0.980 39 L CA -0.293 54.543 54.840 -0.007 0.000 0.836 39 L CB 1.833 43.885 42.059 -0.011 0.000 1.238 39 L HN 0.409 nan 8.230 nan 0.000 0.408 40 V N 5.582 125.490 119.914 -0.010 0.000 2.370 40 V HA 0.676 4.794 4.120 -0.003 0.000 0.283 40 V C 0.381 176.462 176.094 -0.022 0.000 1.023 40 V CA -0.434 61.863 62.300 -0.005 0.000 0.857 40 V CB 1.131 32.957 31.823 0.006 0.000 0.985 40 V HN 0.736 nan 8.190 nan 0.000 0.443 41 L N 3.780 124.999 121.223 -0.007 0.000 2.276 41 L HA 0.927 5.266 4.340 -0.003 0.000 0.286 41 L C -0.061 176.827 176.870 0.030 0.000 1.024 41 L CA -0.672 54.167 54.840 -0.002 0.000 0.826 41 L CB 0.909 42.988 42.059 0.032 0.000 1.211 41 L HN 0.962 nan 8.230 nan 0.000 0.422 42 E N 2.555 122.783 120.200 0.046 0.000 2.151 42 E HA 0.395 4.744 4.350 -0.003 0.000 0.275 42 E C 1.123 177.770 176.600 0.079 0.000 0.936 42 E CA 0.047 56.480 56.400 0.055 0.000 0.777 42 E CB 1.881 31.609 29.700 0.048 0.000 1.108 42 E HN 0.506 nan 8.360 nan 0.000 0.401 43 K N 4.183 124.615 120.400 0.053 0.000 1.977 43 K HA -0.095 4.223 4.320 -0.003 0.000 0.218 43 K C 0.837 177.463 176.600 0.044 0.000 1.051 43 K CA 1.570 57.883 56.287 0.043 0.000 0.953 43 K CB -0.932 31.582 32.500 0.024 0.000 0.727 43 K HN 0.605 nan 8.250 nan 0.000 0.445 44 L N 0.031 121.278 121.223 0.040 0.000 2.474 44 L HA 0.105 4.443 4.340 -0.003 0.000 0.259 44 L C 1.644 178.543 176.870 0.047 0.000 1.232 44 L CA 0.491 55.354 54.840 0.038 0.000 0.821 44 L CB 0.703 42.785 42.059 0.039 0.000 1.108 44 L HN 0.102 nan 8.230 nan 0.000 0.495 45 V N -1.354 118.583 119.914 0.038 0.000 2.908 45 V HA 0.185 4.303 4.120 -0.003 0.000 0.240 45 V C 0.758 176.875 176.094 0.038 0.000 1.117 45 V CA 1.026 63.352 62.300 0.043 0.000 1.133 45 V CB -0.114 31.725 31.823 0.028 0.000 0.857 45 V HN 0.775 nan 8.190 nan 0.000 0.478 46 E N 1.740 121.958 120.200 0.030 0.000 2.073 46 E HA 0.570 4.919 4.350 -0.003 0.000 0.269 46 E C -2.524 174.095 176.600 0.032 0.000 0.917 46 E CA -2.018 54.398 56.400 0.027 0.000 0.757 46 E CB 0.258 29.969 29.700 0.018 0.000 1.111 46 E HN 0.377 nan 8.360 nan 0.000 0.410 47 P HA 0.351 nan 4.420 nan 0.000 0.263 47 P C -0.534 176.797 177.300 0.052 0.000 1.175 47 P CA 0.214 63.337 63.100 0.039 0.000 0.761 47 P CB 1.092 32.810 31.700 0.030 0.000 0.794 48 V N 1.905 121.867 119.914 0.081 0.000 2.462 48 V HA 0.576 4.694 4.120 -0.003 0.000 0.288 48 V C 0.924 177.127 176.094 0.181 0.000 1.020 48 V CA 0.170 62.570 62.300 0.167 0.000 0.857 48 V CB 1.727 33.662 31.823 0.186 0.000 1.013 48 V HN 0.621 nan 8.190 nan 0.000 0.431 49 G N 2.926 111.793 108.800 0.112 0.000 2.599 49 G HA2 0.253 4.211 3.960 -0.003 0.000 0.210 49 G HA3 0.253 4.211 3.960 -0.003 0.000 0.210 49 G C 1.047 175.693 174.900 -0.423 0.000 1.177 49 G CA 1.570 46.599 45.100 -0.119 0.000 0.835 49 G HN 1.562 nan 8.290 nan 0.000 0.575 50 H N 2.213 121.128 119.070 -0.258 0.000 1.452 50 H HA -0.331 4.223 4.556 -0.003 0.000 0.090 50 H C 0.702 175.541 175.328 -0.816 0.000 1.278 50 H CA 1.769 57.511 56.048 -0.509 0.000 1.901 50 H CB -2.490 26.951 29.762 -0.535 0.000 2.257 50 H HN 0.470 nan 8.280 nan 0.000 0.961 51 D N 2.653 122.243 120.400 -1.350 0.000 2.349 51 D HA 0.086 4.725 4.640 -0.003 0.000 0.239 51 D C 0.921 176.876 176.300 -0.575 0.000 1.315 51 D CA 0.820 54.180 54.000 -1.065 0.000 0.937 51 D CB 0.186 40.743 40.800 -0.404 0.000 1.133 51 D HN 0.710 nan 8.370 nan 0.000 0.489 52 R N -2.452 117.843 120.500 -0.341 0.000 3.989 52 R HA -0.148 4.190 4.340 -0.003 0.000 0.377 52 R C 0.109 176.283 176.300 -0.211 0.000 1.158 52 R CA 0.616 56.552 56.100 -0.273 0.000 1.035 52 R CB -2.471 27.658 30.300 -0.286 0.000 1.557 52 R HN 0.691 nan 8.270 nan 0.000 0.551 53 A N 1.192 123.883 122.820 -0.215 0.000 2.600 53 A HA 0.222 4.541 4.320 -0.003 0.000 0.253 53 A C 1.163 178.699 177.584 -0.081 0.000 0.997 53 A CA 1.363 53.319 52.037 -0.135 0.000 0.820 53 A CB 0.052 19.000 19.000 -0.086 0.000 0.888 53 A HN 0.465 nan 8.150 nan 0.000 0.508 54 G N 0.542 109.303 108.800 -0.065 0.000 2.535 54 G HA2 0.756 4.714 3.960 -0.003 0.000 0.303 54 G HA3 0.756 4.714 3.960 -0.003 0.000 0.303 54 G C -0.101 174.773 174.900 -0.043 0.000 1.237 54 G CA -0.049 45.019 45.100 -0.052 0.000 0.986 54 G HN 2.188 nan 8.290 nan 0.000 0.494 55 A N -0.276 122.494 122.820 -0.084 0.000 2.512 55 A HA 0.501 4.819 4.320 -0.003 0.000 0.290 55 A C -0.904 176.495 177.584 -0.308 0.000 1.041 55 A CA -0.557 51.391 52.037 -0.148 0.000 0.911 55 A CB 0.331 19.247 19.000 -0.140 0.000 1.407 55 A HN 0.613 nan 8.150 nan 0.000 0.398 56 L N 3.769 124.856 121.223 -0.226 0.000 2.255 56 L HA 0.458 4.796 4.340 -0.003 0.000 0.289 56 L C 0.464 177.167 176.870 -0.279 0.000 1.046 56 L CA -0.498 54.196 54.840 -0.244 0.000 0.816 56 L CB 0.588 42.556 42.059 -0.152 0.000 1.197 56 L HN 0.821 nan 8.230 nan 0.000 0.427 57 H N 2.030 121.028 119.070 -0.121 0.000 2.408 57 H HA 0.208 4.763 4.556 -0.003 0.000 0.345 57 H C 1.466 176.609 175.328 -0.308 0.000 1.547 57 H CA -0.514 55.412 56.048 -0.203 0.000 1.447 57 H CB 1.272 30.929 29.762 -0.174 0.000 1.686 57 H HN 0.620 nan 8.280 nan 0.000 0.625 58 I N -1.047 119.368 120.570 -0.258 0.000 2.099 58 I HA -0.228 3.941 4.170 -0.003 0.000 0.239 58 I C 2.406 178.347 176.117 -0.292 0.000 1.066 58 I CA 1.580 62.669 61.300 -0.352 0.000 1.324 58 I CB -0.395 37.367 38.000 -0.396 0.000 1.037 58 I HN 0.355 nan 8.210 nan 0.000 0.401 59 R N 1.630 121.965 120.500 -0.274 0.000 2.117 59 R HA -0.133 4.205 4.340 -0.003 0.000 0.243 59 R C 2.135 178.258 176.300 -0.295 0.000 1.143 59 R CA 2.613 58.511 56.100 -0.337 0.000 0.968 59 R CB -1.494 28.609 30.300 -0.329 0.000 0.863 59 R HN 0.572 nan 8.270 nan 0.000 0.444 60 T N -0.308 114.116 114.554 -0.216 0.000 2.701 60 T HA -0.077 4.271 4.350 -0.003 0.000 0.263 60 T C 1.849 176.398 174.700 -0.253 0.000 1.040 60 T CA 1.537 63.522 62.100 -0.193 0.000 1.147 60 T CB -0.381 68.395 68.868 -0.153 0.000 0.865 60 T HN 0.019 nan 8.240 nan 0.000 0.426 61 V N 1.722 121.456 119.914 -0.300 0.000 2.287 61 V HA -0.228 3.890 4.120 -0.003 0.000 0.248 61 V C 2.536 178.383 176.094 -0.412 0.000 1.053 61 V CA 1.819 63.892 62.300 -0.380 0.000 1.027 61 V CB -0.678 30.864 31.823 -0.467 0.000 0.646 61 V HN 0.558 nan 8.190 nan 0.000 0.447 62 E N -0.386 119.603 120.200 -0.352 0.000 2.097 62 E HA -0.254 4.094 4.350 -0.003 0.000 0.196 62 E C 2.288 178.833 176.600 -0.092 0.000 1.000 62 E CA 1.950 58.231 56.400 -0.199 0.000 0.804 62 E CB -0.351 29.338 29.700 -0.019 0.000 0.740 62 E HN 0.567 nan 8.360 nan 0.000 0.454 63 T N 1.368 115.843 114.554 -0.131 0.000 2.746 63 T HA -0.110 4.238 4.350 -0.003 0.000 0.267 63 T C 1.863 176.505 174.700 -0.095 0.000 1.039 63 T CA 0.753 62.816 62.100 -0.061 0.000 1.142 63 T CB -0.145 68.678 68.868 -0.075 0.000 0.866 63 T HN 0.105 nan 8.240 nan 0.000 0.444 64 L N 0.951 122.056 121.223 -0.197 0.000 2.191 64 L HA -0.121 4.217 4.340 -0.003 0.000 0.212 64 L C 2.487 179.254 176.870 -0.171 0.000 1.103 64 L CA 1.157 55.851 54.840 -0.244 0.000 0.769 64 L CB -0.535 41.263 42.059 -0.434 0.000 0.908 64 L HN 0.238 nan 8.230 nan 0.000 0.438 65 D N 0.291 120.592 120.400 -0.165 0.000 2.178 65 D HA -0.138 4.500 4.640 -0.003 0.000 0.202 65 D C 2.001 178.278 176.300 -0.037 0.000 0.974 65 D CA 0.860 54.802 54.000 -0.097 0.000 0.841 65 D CB 0.148 40.877 40.800 -0.119 0.000 0.953 65 D HN 0.081 nan 8.370 nan 0.000 0.478 66 L N 0.279 121.486 121.223 -0.028 0.000 2.450 66 L HA -0.010 4.328 4.340 -0.003 0.000 0.224 66 L C 1.873 178.738 176.870 -0.008 0.000 1.149 66 L CA 1.022 55.855 54.840 -0.011 0.000 0.816 66 L CB -0.320 41.746 42.059 0.013 0.000 0.932 66 L HN -0.042 nan 8.230 nan 0.000 0.449 67 R N -0.975 119.512 120.500 -0.022 0.000 2.543 67 R HA 0.333 4.671 4.340 -0.003 0.000 0.323 67 R C 1.204 177.502 176.300 -0.004 0.000 1.002 67 R CA 0.558 56.649 56.100 -0.015 0.000 1.106 67 R CB 0.150 30.416 30.300 -0.057 0.000 1.280 67 R HN 0.252 nan 8.270 nan 0.000 0.549 68 G N 1.500 110.303 108.800 0.004 0.000 2.200 68 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.267 68 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.267 68 G C 0.842 175.771 174.900 0.048 0.000 0.993 68 G CA 0.645 45.765 45.100 0.034 0.000 0.701 68 G HN 0.368 nan 8.290 nan 0.000 0.524 69 L N -1.031 120.196 121.223 0.007 0.000 2.418 69 L HA 0.167 4.505 4.340 -0.003 0.000 0.218 69 L C 2.694 179.654 176.870 0.150 0.000 1.125 69 L CA 0.570 55.455 54.840 0.075 0.000 0.835 69 L CB -0.271 41.776 42.059 -0.021 0.000 0.953 69 L HN 0.318 nan 8.230 nan 0.000 0.454 70 L N 0.407 121.634 121.223 0.008 0.000 2.042 70 L HA -0.245 4.094 4.340 -0.003 0.000 0.210 70 L C 1.940 178.905 176.870 0.159 0.000 1.076 70 L CA 1.900 56.748 54.840 0.012 0.000 0.749 70 L CB -0.633 41.391 42.059 -0.059 0.000 0.893 70 L HN 0.207 nan 8.230 nan 0.000 0.432 71 D N -0.558 119.924 120.400 0.137 0.000 2.158 71 D HA -0.195 4.443 4.640 -0.003 0.000 0.197 71 D C 2.269 178.660 176.300 0.151 0.000 0.995 71 D CA 1.199 55.278 54.000 0.131 0.000 0.846 71 D CB -0.144 40.715 40.800 0.098 0.000 0.941 71 D HN 0.396 nan 8.370 nan 0.000 0.456 72 R N -0.817 119.804 120.500 0.201 0.000 2.193 72 R HA 0.043 4.382 4.340 -0.003 0.000 0.213 72 R C 1.694 178.036 176.300 0.071 0.000 1.055 72 R CA 0.374 56.550 56.100 0.126 0.000 0.995 72 R CB -0.098 30.261 30.300 0.098 0.000 0.893 72 R HN 0.272 nan 8.270 nan 0.000 0.459 73 F N -0.190 119.773 119.950 0.022 0.000 2.754 73 F HA 0.106 4.631 4.527 -0.003 0.000 0.297 73 F C 1.700 177.524 175.800 0.039 0.000 1.122 73 F CA 0.146 58.160 58.000 0.023 0.000 1.400 73 F CB 0.369 39.378 39.000 0.014 0.000 1.117 73 F HN -0.101 nan 8.300 nan 0.000 0.587 74 L N 0.283 121.632 121.223 0.210 0.000 2.612 74 L HA 0.047 4.386 4.340 -0.003 0.000 0.230 74 L C 2.240 179.160 176.870 0.083 0.000 1.140 74 L CA 0.893 55.820 54.840 0.144 0.000 0.896 74 L CB -1.158 40.983 42.059 0.135 0.000 1.065 74 L HN 0.307 nan 8.230 nan 0.000 0.447 75 E N 0.823 121.059 120.200 0.060 0.000 2.152 75 E HA 0.044 4.393 4.350 -0.003 0.000 0.192 75 E C 1.345 177.962 176.600 0.028 0.000 0.983 75 E CA 0.803 57.221 56.400 0.031 0.000 0.818 75 E CB -0.295 29.410 29.700 0.008 0.000 0.758 75 E HN 0.450 nan 8.360 nan 0.000 0.467 76 G N 0.206 109.028 108.800 0.036 0.000 2.370 76 G HA2 0.391 4.349 3.960 -0.003 0.000 0.272 76 G HA3 0.391 4.349 3.960 -0.003 0.000 0.272 76 G C -0.009 174.926 174.900 0.058 0.000 1.208 76 G CA 0.158 45.282 45.100 0.039 0.000 0.856 76 G HN 0.100 nan 8.290 nan 0.000 0.500 77 T N 2.461 117.043 114.554 0.047 0.000 3.162 77 T HA 0.424 4.773 4.350 -0.003 0.000 0.264 77 T C 1.333 176.074 174.700 0.069 0.000 0.959 77 T CA 0.643 62.772 62.100 0.048 0.000 1.118 77 T CB -0.583 68.306 68.868 0.035 0.000 0.979 77 T HN 0.917 nan 8.240 nan 0.000 0.679 78 Q N 1.909 121.766 119.800 0.096 0.000 3.047 78 Q HA 0.597 4.935 4.340 -0.003 0.000 0.188 78 Q C 0.705 176.778 176.000 0.122 0.000 1.187 78 Q CA 0.003 55.889 55.803 0.137 0.000 1.296 78 Q CB 0.024 28.895 28.738 0.222 0.000 1.368 78 Q HN 0.626 nan 8.270 nan 0.000 0.711 79 V N -3.518 116.505 119.914 0.181 0.000 2.605 79 V HA 0.467 4.586 4.120 -0.003 0.000 0.311 79 V C -0.885 175.343 176.094 0.224 0.000 1.953 79 V CA -0.259 62.137 62.300 0.160 0.000 0.856 79 V CB -0.265 31.617 31.823 0.098 0.000 1.210 79 V HN 2.905 nan 8.190 nan 0.000 0.304 80 A N -0.521 122.403 122.820 0.173 0.000 2.425 80 A HA 0.488 4.806 4.320 -0.003 0.000 0.682 80 A C 0.055 177.767 177.584 0.215 0.000 0.148 80 A CA 1.831 53.962 52.037 0.157 0.000 0.059 80 A CB -1.665 17.459 19.000 0.207 0.000 3.953 80 A HN 2.582 nan 8.150 nan 0.000 0.545 81 K N 0.824 121.251 120.400 0.044 0.000 2.618 81 K HA 0.658 4.976 4.320 -0.003 0.000 0.207 81 K C 1.614 177.915 176.600 -0.498 0.000 1.058 81 K CA 1.307 57.616 56.287 0.037 0.000 1.086 81 K CB 0.331 32.907 32.500 0.126 0.000 0.827 81 K HN 2.590 nan 8.250 nan 0.000 0.481 82 G N -1.513 106.730 108.800 -0.929 0.000 3.958 82 G HA2 0.498 4.456 3.960 -0.003 0.000 0.127 82 G HA3 0.498 4.456 3.960 -0.003 0.000 0.127 82 G C 0.875 175.496 174.900 -0.465 0.000 1.260 82 G CA 0.777 45.271 45.100 -1.011 0.000 1.105 82 G HN 1.754 nan 8.290 nan 0.000 0.431 83 L N -0.545 120.388 121.223 -0.483 0.000 1.641 83 L HA 0.131 4.469 4.340 -0.003 0.000 0.351 83 L C -1.498 175.382 176.870 0.017 0.000 1.082 83 L CA 1.530 56.290 54.840 -0.133 0.000 1.226 83 L CB -2.490 39.516 42.059 -0.089 0.000 0.561 83 L HN 0.691 nan 8.230 nan 0.000 0.249 84 P HA 0.834 nan 4.420 nan 0.000 0.341 84 P C -0.677 176.638 177.300 0.024 0.000 1.368 84 P CA 0.382 63.437 63.100 -0.076 0.000 0.835 84 P CB 0.351 31.828 31.700 -0.373 0.000 2.010 85 F N -1.529 118.253 119.950 -0.281 0.000 3.102 85 F HA 0.468 4.994 4.527 -0.002 0.000 0.359 85 F C -0.780 174.866 175.800 -0.258 0.000 1.243 85 F CA -0.198 57.669 58.000 -0.222 0.000 1.215 85 F CB 0.267 39.141 39.000 -0.211 0.000 1.549 85 F HN 0.548 nan 8.300 nan 0.000 0.657 86 A N 3.631 126.030 122.820 -0.700 0.000 2.791 86 A HA 0.188 4.507 4.320 -0.003 0.000 0.292 86 A C 1.843 179.209 177.584 -0.363 0.000 1.487 86 A CA 1.500 53.182 52.037 -0.592 0.000 0.760 86 A CB -2.132 16.386 19.000 -0.804 0.000 1.031 86 A HN 2.805 nan 8.150 nan 0.000 0.503 87 G N -2.146 106.421 108.800 -0.389 0.000 2.175 87 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.265 87 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.265 87 G C 0.146 174.759 174.900 -0.478 0.000 0.979 87 G CA 0.541 45.406 45.100 -0.392 0.000 0.663 87 G HN 1.560 nan 8.290 nan 0.000 0.533 88 I N 0.771 121.071 120.570 -0.451 0.000 2.291 88 I HA 0.373 4.541 4.170 -0.003 0.000 0.292 88 I C 1.085 177.012 176.117 -0.317 0.000 1.064 88 I CA -0.588 60.568 61.300 -0.240 0.000 1.269 88 I CB 0.336 38.285 38.000 -0.085 0.000 1.418 88 I HN -0.006 nan 8.210 nan 0.000 0.485 89 F N 2.059 122.019 119.950 0.016 0.000 2.437 89 F HA -0.079 4.446 4.527 -0.003 0.000 0.288 89 F C 2.677 178.479 175.800 0.005 0.000 1.085 89 F CA 0.697 58.704 58.000 0.012 0.000 1.430 89 F CB -0.497 38.508 39.000 0.009 0.000 1.120 89 F HN 0.479 nan 8.300 nan 0.000 0.556 90 T N -1.770 112.889 114.554 0.175 0.000 2.680 90 T HA -0.245 4.104 4.350 -0.003 0.000 0.268 90 T C 0.969 175.703 174.700 0.056 0.000 1.033 90 T CA 1.245 63.400 62.100 0.093 0.000 1.152 90 T CB -0.287 68.616 68.868 0.059 0.000 0.859 90 T HN 0.127 nan 8.240 nan 0.000 0.452 91 Q N 1.713 121.535 119.800 0.037 0.000 2.907 91 Q HA 0.473 4.811 4.340 -0.003 0.000 0.262 91 Q C 0.229 176.225 176.000 -0.005 0.000 0.997 91 Q CA -0.300 55.511 55.803 0.013 0.000 0.797 91 Q CB 1.204 29.945 28.738 0.006 0.000 1.228 91 Q HN 0.583 nan 8.270 nan 0.000 0.466 92 G N 0.824 109.621 108.800 -0.005 0.000 2.636 92 G HA2 0.310 4.269 3.960 -0.003 0.000 0.246 92 G HA3 0.310 4.269 3.960 -0.003 0.000 0.246 92 G C 0.163 175.024 174.900 -0.066 0.000 1.216 92 G CA -0.562 44.517 45.100 -0.034 0.000 0.854 92 G HN 0.473 nan 8.290 nan 0.000 0.572 93 L N 0.853 122.023 121.223 -0.087 0.000 2.477 93 L HA 0.079 4.417 4.340 -0.003 0.000 0.272 93 L C 0.030 176.786 176.870 -0.190 0.000 1.157 93 L CA -0.324 54.463 54.840 -0.088 0.000 0.889 93 L CB 0.560 42.611 42.059 -0.012 0.000 1.158 93 L HN 0.417 nan 8.230 nan 0.000 0.473 94 D N 3.020 123.375 120.400 -0.075 0.000 2.396 94 D HA 0.131 4.769 4.640 -0.003 0.000 0.225 94 D C 0.719 177.081 176.300 0.103 0.000 1.121 94 D CA -0.358 53.605 54.000 -0.063 0.000 0.853 94 D CB 0.708 41.502 40.800 -0.009 0.000 1.043 94 D HN 0.194 nan 8.370 nan 0.000 0.500 95 F N 2.089 122.059 119.950 0.033 0.000 2.333 95 F HA 0.079 4.604 4.527 -0.003 0.000 0.300 95 F C 2.497 178.316 175.800 0.031 0.000 1.083 95 F CA 0.700 58.719 58.000 0.031 0.000 1.395 95 F CB -0.957 38.079 39.000 0.060 0.000 1.056 95 F HN 0.535 nan 8.300 nan 0.000 0.529 96 G N -0.194 108.730 108.800 0.205 0.000 2.559 96 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.216 96 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.216 96 G C 1.566 176.519 174.900 0.088 0.000 1.126 96 G CA 0.228 45.404 45.100 0.127 0.000 0.778 96 G HN 0.377 nan 8.290 nan 0.000 0.543 97 L N 0.610 121.887 121.223 0.089 0.000 2.558 97 L HA 0.186 4.524 4.340 -0.003 0.000 0.225 97 L C 0.388 177.282 176.870 0.040 0.000 1.128 97 L CA -0.162 54.711 54.840 0.055 0.000 0.868 97 L CB 0.058 42.146 42.059 0.048 0.000 1.006 97 L HN 0.097 nan 8.230 nan 0.000 0.454 98 V N -3.539 116.403 119.914 0.048 0.000 2.459 98 V HA 0.376 4.494 4.120 -0.003 0.000 0.295 98 V C -0.400 175.702 176.094 0.013 0.000 1.029 98 V CA -1.108 61.200 62.300 0.013 0.000 0.874 98 V CB 1.888 33.704 31.823 -0.012 0.000 0.985 98 V HN -0.070 nan 8.190 nan 0.000 0.438 99 D N 3.079 123.481 120.400 0.004 0.000 2.368 99 D HA 0.392 5.030 4.640 -0.003 0.000 0.268 99 D C -0.043 176.268 176.300 0.019 0.000 1.298 99 D CA 1.157 55.165 54.000 0.013 0.000 0.938 99 D CB 0.339 41.146 40.800 0.012 0.000 1.101 99 D HN 1.066 nan 8.370 nan 0.000 0.509 100 T N 1.819 116.387 114.554 0.024 0.000 3.047 100 T HA 0.206 4.554 4.350 -0.003 0.000 0.340 100 T C 0.691 175.401 174.700 0.017 0.000 1.421 100 T CA -0.703 61.416 62.100 0.032 0.000 1.090 100 T CB 0.910 69.783 68.868 0.007 0.000 1.292 100 T HN 0.107 nan 8.240 nan 0.000 0.480 101 R N 1.667 122.163 120.500 -0.005 0.000 2.276 101 R HA 0.147 4.486 4.340 -0.003 0.000 0.203 101 R C 0.476 176.574 176.300 -0.336 0.000 1.017 101 R CA 0.720 56.718 56.100 -0.171 0.000 1.010 101 R CB -0.549 29.610 30.300 -0.236 0.000 0.900 101 R HN 0.727 nan 8.270 nan 0.000 0.469 102 H N 0.006 119.104 119.070 0.047 0.000 2.541 102 H HA 0.278 4.832 4.556 -0.003 0.000 0.246 102 H C -2.595 172.654 175.328 -0.131 0.000 1.341 102 H CA -2.324 53.744 56.048 0.033 0.000 1.469 102 H CB 1.612 31.229 29.762 -0.241 0.000 1.472 102 H HN 0.117 nan 8.280 nan 0.000 0.503 103 P HA 0.113 nan 4.420 nan 0.000 0.212 103 P C -0.991 176.561 177.300 0.421 0.000 1.816 103 P CA 0.016 63.242 63.100 0.210 0.000 0.944 103 P CB -0.663 31.184 31.700 0.244 0.000 1.896 104 Y N -3.038 117.329 120.300 0.112 0.000 2.713 104 Y HA 0.684 5.232 4.550 -0.003 0.000 0.335 104 Y C -0.729 175.237 175.900 0.110 0.000 1.222 104 Y CA -1.404 56.849 58.100 0.254 0.000 1.061 104 Y CB 0.473 39.059 38.460 0.209 0.000 1.314 104 Y HN -0.081 nan 8.280 nan 0.000 0.453 105 T N -0.825 113.947 114.554 0.363 0.000 2.823 105 T HA 0.659 5.007 4.350 -0.003 0.000 0.279 105 T C 0.104 174.936 174.700 0.221 0.000 0.998 105 T CA -0.310 61.897 62.100 0.179 0.000 0.994 105 T CB 1.278 70.320 68.868 0.291 0.000 0.960 105 T HN 1.348 nan 8.240 nan 0.000 0.448 106 G N 3.527 112.386 108.800 0.098 0.000 2.444 106 G HA2 0.434 4.392 3.960 -0.003 0.000 0.303 106 G HA3 0.434 4.392 3.960 -0.003 0.000 0.303 106 G C 0.294 175.246 174.900 0.086 0.000 1.032 106 G CA -0.781 44.402 45.100 0.138 0.000 1.137 106 G HN 0.887 nan 8.290 nan 0.000 0.430 107 L N 3.365 124.653 121.223 0.109 0.000 2.400 107 L HA 0.093 4.431 4.340 -0.003 0.000 0.262 107 L C -0.230 176.682 176.870 0.070 0.000 1.309 107 L CA -0.179 54.706 54.840 0.076 0.000 1.186 107 L CB -0.273 41.838 42.059 0.086 0.000 1.375 107 L HN 0.150 nan 8.230 nan 0.000 0.433 108 V N 2.504 122.458 119.914 0.067 0.000 2.350 108 V HA 0.306 4.424 4.120 -0.003 0.000 0.285 108 V C -2.049 174.067 176.094 0.037 0.000 1.014 108 V CA -2.061 60.285 62.300 0.076 0.000 0.831 108 V CB 1.258 33.183 31.823 0.171 0.000 1.000 108 V HN 0.370 nan 8.190 nan 0.000 0.433 109 P HA -0.004 nan 4.420 nan 0.000 0.264 109 P C 0.800 178.083 177.300 -0.029 0.000 1.183 109 P CA 0.349 63.434 63.100 -0.025 0.000 0.763 109 P CB 0.646 32.327 31.700 -0.032 0.000 0.807 110 Q N 2.734 122.501 119.800 -0.055 0.000 2.135 110 Q HA -0.216 4.122 4.340 -0.003 0.000 0.204 110 Q C 1.733 177.709 176.000 -0.041 0.000 0.981 110 Q CA 2.312 58.088 55.803 -0.045 0.000 0.856 110 Q CB -0.231 28.458 28.738 -0.082 0.000 0.902 110 Q HN 0.591 nan 8.270 nan 0.000 0.425 111 S N 0.326 115.988 115.700 -0.063 0.000 2.359 111 S HA -0.242 4.226 4.470 -0.003 0.000 0.224 111 S C 1.934 176.513 174.600 -0.036 0.000 1.035 111 S CA 1.234 59.407 58.200 -0.044 0.000 1.018 111 S CB -0.584 62.589 63.200 -0.045 0.000 0.876 111 S HN 0.394 nan 8.310 nan 0.000 0.448 112 R N 1.164 121.637 120.500 -0.044 0.000 2.096 112 R HA -0.085 4.253 4.340 -0.003 0.000 0.235 112 R C 2.165 178.407 176.300 -0.096 0.000 1.127 112 R CA 1.784 57.843 56.100 -0.068 0.000 0.968 112 R CB -0.905 29.354 30.300 -0.069 0.000 0.861 112 R HN 0.542 nan 8.270 nan 0.000 0.440 113 T N 0.808 115.339 114.554 -0.039 0.000 2.674 113 T HA -0.126 4.222 4.350 -0.003 0.000 0.265 113 T C 1.497 176.211 174.700 0.023 0.000 1.039 113 T CA 1.563 63.679 62.100 0.026 0.000 1.150 113 T CB -0.158 68.793 68.868 0.138 0.000 0.864 113 T HN 0.430 nan 8.240 nan 0.000 0.427 114 E N 1.139 121.349 120.200 0.017 0.000 2.085 114 E HA -0.124 4.224 4.350 -0.003 0.000 0.194 114 E C 2.584 179.188 176.600 0.007 0.000 0.994 114 E CA 0.984 57.398 56.400 0.023 0.000 0.801 114 E CB -0.287 29.421 29.700 0.013 0.000 0.743 114 E HN 0.479 nan 8.360 nan 0.000 0.453 115 A N 1.431 124.237 122.820 -0.023 0.000 1.892 115 A HA -0.224 4.094 4.320 -0.003 0.000 0.218 115 A C 2.222 179.780 177.584 -0.042 0.000 1.188 115 A CA 1.413 53.430 52.037 -0.033 0.000 0.631 115 A CB -0.790 18.179 19.000 -0.052 0.000 0.822 115 A HN 0.140 nan 8.150 nan 0.000 0.447 116 L N -0.847 120.314 121.223 -0.104 0.000 1.994 116 L HA -0.174 4.164 4.340 -0.003 0.000 0.208 116 L C 2.640 179.525 176.870 0.025 0.000 1.071 116 L CA 1.246 56.009 54.840 -0.129 0.000 0.745 116 L CB -0.763 41.024 42.059 -0.455 0.000 0.892 116 L HN 0.363 nan 8.230 nan 0.000 0.431 117 L N -0.145 121.124 121.223 0.077 0.000 2.079 117 L HA -0.220 4.119 4.340 -0.003 0.000 0.210 117 L C 2.905 179.854 176.870 0.131 0.000 1.081 117 L CA 1.157 56.081 54.840 0.140 0.000 0.752 117 L CB -0.774 41.366 42.059 0.135 0.000 0.896 117 L HN 0.280 nan 8.230 nan 0.000 0.433 118 A N 0.325 123.194 122.820 0.081 0.000 1.855 118 A HA -0.229 4.090 4.320 -0.003 0.000 0.215 118 A C 2.459 180.084 177.584 0.067 0.000 1.191 118 A CA 2.026 54.102 52.037 0.065 0.000 0.613 118 A CB -0.929 18.094 19.000 0.039 0.000 0.829 118 A HN 0.420 nan 8.150 nan 0.000 0.442 119 E N -0.655 119.580 120.200 0.058 0.000 2.130 119 E HA -0.319 4.030 4.350 -0.003 0.000 0.196 119 E C 1.861 178.505 176.600 0.074 0.000 0.998 119 E CA 2.124 58.554 56.400 0.050 0.000 0.806 119 E CB -1.094 28.626 29.700 0.033 0.000 0.738 119 E HN 0.954 nan 8.360 nan 0.000 0.459 120 H N -0.431 118.658 119.070 0.032 0.000 2.357 120 H HA 0.277 4.831 4.556 -0.003 0.000 0.301 120 H C 2.301 177.655 175.328 0.043 0.000 1.082 120 H CA 1.997 58.073 56.048 0.047 0.000 1.342 120 H CB -0.130 29.677 29.762 0.075 0.000 1.389 120 H HN 0.438 nan 8.280 nan 0.000 0.511 121 A N 0.098 122.983 122.820 0.108 0.000 1.929 121 A HA -0.115 4.203 4.320 -0.003 0.000 0.216 121 A C 2.495 180.074 177.584 -0.009 0.000 1.176 121 A CA 1.382 53.450 52.037 0.050 0.000 0.628 121 A CB -0.780 18.275 19.000 0.091 0.000 0.816 121 A HN 0.367 nan 8.150 nan 0.000 0.444 122 R N -0.336 120.163 120.500 -0.001 0.000 2.094 122 R HA -0.179 4.159 4.340 -0.003 0.000 0.239 122 R C 2.265 178.543 176.300 -0.037 0.000 1.137 122 R CA 2.639 58.731 56.100 -0.012 0.000 0.943 122 R CB -1.632 28.668 30.300 -0.001 0.000 0.850 122 R HN 0.759 nan 8.270 nan 0.000 0.433 123 E N -0.223 119.939 120.200 -0.064 0.000 2.347 123 E HA 0.230 4.578 4.350 -0.003 0.000 0.196 123 E C 2.060 178.595 176.600 -0.109 0.000 1.008 123 E CA 1.189 57.540 56.400 -0.082 0.000 0.852 123 E CB -0.680 28.966 29.700 -0.091 0.000 0.783 123 E HN 0.881 nan 8.360 nan 0.000 0.505 124 A N -0.620 122.112 122.820 -0.146 0.000 2.169 124 A HA 0.479 4.798 4.320 -0.003 0.000 0.212 124 A C 2.005 179.560 177.584 -0.048 0.000 1.153 124 A CA 1.167 53.129 52.037 -0.124 0.000 0.756 124 A CB -0.210 18.699 19.000 -0.152 0.000 0.813 124 A HN 1.570 nan 8.150 nan 0.000 0.471 125 G N -1.743 107.036 108.800 -0.036 0.000 2.526 125 G HA2 0.331 4.289 3.960 -0.003 0.000 0.225 125 G HA3 0.331 4.289 3.960 -0.003 0.000 0.225 125 G C -0.136 174.760 174.900 -0.007 0.000 1.120 125 G CA 0.019 45.109 45.100 -0.016 0.000 0.904 125 G HN 1.615 nan 8.290 nan 0.000 0.498 126 A N -0.633 122.183 122.820 -0.006 0.000 2.353 126 A HA 0.986 5.304 4.320 -0.003 0.000 0.299 126 A C 0.118 177.699 177.584 -0.006 0.000 1.089 126 A CA 0.810 52.847 52.037 0.000 0.000 0.736 126 A CB 0.960 19.968 19.000 0.013 0.000 1.195 126 A HN 1.994 nan 8.150 nan 0.000 0.447 127 E N 1.609 121.800 120.200 -0.014 0.000 2.415 127 E HA 0.419 4.767 4.350 -0.003 0.000 0.263 127 E C -0.265 176.317 176.600 -0.029 0.000 0.995 127 E CA 0.384 56.769 56.400 -0.026 0.000 0.915 127 E CB -0.197 29.479 29.700 -0.040 0.000 0.951 127 E HN 1.365 nan 8.360 nan 0.000 0.449 128 I N 0.050 120.604 120.570 -0.027 0.000 2.859 128 I HA 0.335 4.504 4.170 -0.003 0.000 0.296 128 I C -2.633 173.459 176.117 -0.041 0.000 1.300 128 I CA -2.637 58.648 61.300 -0.025 0.000 1.020 128 I CB 0.885 38.886 38.000 0.001 0.000 1.823 128 I HN 0.105 nan 8.210 nan 0.000 0.599 129 P HA 0.152 nan 4.420 nan 0.000 0.264 129 P C 0.008 177.276 177.300 -0.053 0.000 1.229 129 P CA -0.055 62.925 63.100 -0.199 0.000 0.780 129 P CB 0.410 31.698 31.700 -0.688 0.000 0.808 130 R N 2.786 123.346 120.500 0.100 0.000 2.204 130 R HA 0.557 4.895 4.340 -0.003 0.000 0.341 130 R C 0.867 177.307 176.300 0.233 0.000 1.035 130 R CA 0.122 56.305 56.100 0.139 0.000 0.887 130 R CB -0.553 29.795 30.300 0.081 0.000 1.114 130 R HN 0.866 nan 8.270 nan 0.000 0.473 131 G N 3.300 112.270 108.800 0.285 0.000 2.244 131 G HA2 -0.086 3.872 3.960 -0.003 0.000 0.163 131 G HA3 -0.086 3.872 3.960 -0.003 0.000 0.163 131 G C -0.508 174.400 174.900 0.014 0.000 1.064 131 G CA -0.470 44.711 45.100 0.135 0.000 0.757 131 G HN 0.729 nan 8.290 nan 0.000 0.484 132 H N 0.324 119.394 119.070 -0.000 0.000 2.761 132 H HA 0.279 4.833 4.556 -0.003 0.000 0.263 132 H C -0.185 175.123 175.328 -0.032 0.000 1.292 132 H CA -0.620 55.413 56.048 -0.024 0.000 1.540 132 H CB 1.315 31.087 29.762 0.016 0.000 1.569 132 H HN 0.457 nan 8.280 nan 0.000 0.510 133 E N 2.169 122.385 120.200 0.026 0.000 2.404 133 E HA 0.175 4.524 4.350 -0.003 0.000 0.261 133 E C -0.456 176.139 176.600 -0.007 0.000 1.074 133 E CA -0.436 55.969 56.400 0.007 0.000 0.917 133 E CB 1.172 30.862 29.700 -0.017 0.000 0.965 133 E HN 0.193 nan 8.360 nan 0.000 0.433 134 V N 3.959 123.870 119.914 -0.005 0.000 2.350 134 V HA 0.056 4.174 4.120 -0.003 0.000 0.276 134 V C 0.866 176.947 176.094 -0.022 0.000 1.028 134 V CA -0.252 62.042 62.300 -0.011 0.000 0.860 134 V CB 1.330 33.154 31.823 0.001 0.000 0.990 134 V HN 0.860 nan 8.190 nan 0.000 0.453 135 T N 3.910 118.445 114.554 -0.031 0.000 2.809 135 T HA 0.155 4.504 4.350 -0.003 0.000 0.260 135 T C 0.898 175.584 174.700 -0.023 0.000 1.039 135 T CA 1.687 63.768 62.100 -0.031 0.000 1.141 135 T CB -0.019 68.826 68.868 -0.038 0.000 0.869 135 T HN 0.854 nan 8.240 nan 0.000 0.437 136 R N -0.733 119.757 120.500 -0.018 0.000 2.762 136 R HA 0.900 5.238 4.340 -0.003 0.000 0.271 136 R C -1.085 175.209 176.300 -0.010 0.000 1.038 136 R CA -0.242 55.849 56.100 -0.015 0.000 0.906 136 R CB 0.121 30.413 30.300 -0.014 0.000 1.259 136 R HN 0.495 nan 8.270 nan 0.000 0.457 137 L N -2.908 118.308 121.223 -0.011 0.000 2.192 137 L HA 1.106 5.445 4.340 -0.003 0.000 0.250 137 L C 0.581 177.445 176.870 -0.010 0.000 1.114 137 L CA -0.156 54.678 54.840 -0.009 0.000 1.065 137 L CB 0.328 42.380 42.059 -0.013 0.000 1.609 137 L HN 2.419 nan 8.230 nan 0.000 0.495 138 R N 0.660 121.152 120.500 -0.014 0.000 5.532 138 R HA 0.588 4.927 4.340 -0.003 0.000 0.254 138 R C -1.086 175.200 176.300 -0.024 0.000 0.953 138 R CA 0.226 56.316 56.100 -0.017 0.000 1.518 138 R CB -0.806 29.486 30.300 -0.013 0.000 1.203 138 R HN 1.585 nan 8.270 nan 0.000 0.691 139 Q N 2.323 122.106 119.800 -0.028 0.000 2.341 139 Q HA 0.419 4.758 4.340 -0.003 0.000 0.268 139 Q C -0.989 174.985 176.000 -0.044 0.000 1.013 139 Q CA -0.720 55.059 55.803 -0.040 0.000 0.798 139 Q CB 1.387 30.103 28.738 -0.037 0.000 1.253 139 Q HN 0.762 nan 8.270 nan 0.000 0.457 140 D N 1.475 121.842 120.400 -0.055 0.000 2.430 140 D HA 0.280 4.918 4.640 -0.003 0.000 0.285 140 D C 0.451 176.714 176.300 -0.062 0.000 1.210 140 D CA 0.086 54.054 54.000 -0.052 0.000 1.080 140 D CB 0.598 41.367 40.800 -0.052 0.000 1.134 140 D HN 0.639 nan 8.370 nan 0.000 0.562 141 A N -0.746 122.039 122.820 -0.058 0.000 2.169 141 A HA 0.082 4.400 4.320 -0.003 0.000 0.210 141 A C 1.355 178.892 177.584 -0.078 0.000 1.168 141 A CA 0.602 52.604 52.037 -0.059 0.000 0.813 141 A CB -0.012 18.963 19.000 -0.041 0.000 0.861 141 A HN 0.445 nan 8.150 nan 0.000 0.481 142 E N -1.393 118.754 120.200 -0.089 0.000 2.414 142 E HA 0.474 4.822 4.350 -0.003 0.000 0.208 142 E C 0.396 176.905 176.600 -0.153 0.000 0.820 142 E CA 0.491 56.829 56.400 -0.105 0.000 1.143 142 E CB 0.797 30.455 29.700 -0.069 0.000 1.150 142 E HN 0.462 nan 8.360 nan 0.000 0.540 143 A N 0.553 123.291 122.820 -0.136 0.000 2.567 143 A HA 0.689 5.007 4.320 -0.003 0.000 0.289 143 A C -1.361 176.150 177.584 -0.122 0.000 1.177 143 A CA -0.576 51.371 52.037 -0.150 0.000 0.694 143 A CB 1.544 20.484 19.000 -0.101 0.000 1.292 143 A HN -0.042 nan 8.150 nan 0.000 0.425 144 V N -0.271 119.579 119.914 -0.106 0.000 2.735 144 V HA 0.813 4.932 4.120 -0.003 0.000 0.310 144 V C 0.088 176.159 176.094 -0.038 0.000 1.061 144 V CA 0.032 62.290 62.300 -0.069 0.000 0.913 144 V CB 1.350 33.132 31.823 -0.068 0.000 1.005 144 V HN 1.366 nan 8.190 nan 0.000 0.428 145 E N 2.006 122.193 120.200 -0.022 0.000 2.199 145 E HA 0.723 5.071 4.350 -0.003 0.000 0.265 145 E C -0.799 175.805 176.600 0.007 0.000 0.882 145 E CA -0.582 55.816 56.400 -0.003 0.000 0.759 145 E CB 1.943 31.643 29.700 -0.001 0.000 1.148 145 E HN 1.288 nan 8.360 nan 0.000 0.412 146 V N -0.461 119.467 119.914 0.024 0.000 2.495 146 V HA 0.799 4.917 4.120 -0.003 0.000 0.298 146 V C 0.214 176.335 176.094 0.045 0.000 1.031 146 V CA -0.799 61.518 62.300 0.028 0.000 0.871 146 V CB 1.275 33.117 31.823 0.030 0.000 0.988 146 V HN 0.610 nan 8.190 nan 0.000 0.432 147 T N 4.794 119.361 114.554 0.023 0.000 2.794 147 T HA 0.567 4.915 4.350 -0.003 0.000 0.296 147 T C 0.065 174.754 174.700 -0.019 0.000 0.949 147 T CA -0.102 62.005 62.100 0.012 0.000 1.101 147 T CB 1.072 69.936 68.868 -0.006 0.000 0.905 147 T HN 0.702 nan 8.240 nan 0.000 0.516 148 V N 1.682 121.554 119.914 -0.070 0.000 2.919 148 V HA 0.835 4.953 4.120 -0.003 0.000 0.316 148 V C 0.037 175.940 176.094 -0.320 0.000 1.077 148 V CA -1.280 60.915 62.300 -0.174 0.000 0.977 148 V CB 1.909 33.620 31.823 -0.188 0.000 1.039 148 V HN 0.969 nan 8.190 nan 0.000 0.441 149 A N 1.827 124.491 122.820 -0.260 0.000 2.664 149 A HA 0.777 5.096 4.320 -0.003 0.000 0.338 149 A C 0.240 177.643 177.584 -0.301 0.000 1.280 149 A CA -0.026 51.858 52.037 -0.256 0.000 0.809 149 A CB 0.227 19.139 19.000 -0.147 0.000 1.114 149 A HN 1.092 nan 8.150 nan 0.000 0.479 150 G N 1.411 109.956 108.800 -0.424 0.000 2.502 150 G HA2 0.532 4.491 3.960 -0.003 0.000 0.305 150 G HA3 0.532 4.491 3.960 -0.003 0.000 0.305 150 G C -1.514 173.210 174.900 -0.293 0.000 1.190 150 G CA -1.528 43.289 45.100 -0.470 0.000 0.933 150 G HN 0.297 nan 8.290 nan 0.000 0.503 151 P HA -0.067 nan 4.420 nan 0.000 0.216 151 P C 1.989 179.245 177.300 -0.073 0.000 1.150 151 P CA 1.294 64.307 63.100 -0.145 0.000 0.837 151 P CB 0.226 31.856 31.700 -0.118 0.000 0.786 152 S N -1.403 114.277 115.700 -0.033 0.000 2.474 152 S HA 0.267 4.735 4.470 -0.003 0.000 0.235 152 S C 1.169 175.774 174.600 0.009 0.000 0.997 152 S CA 0.921 59.131 58.200 0.017 0.000 0.949 152 S CB -0.661 62.586 63.200 0.079 0.000 0.766 152 S HN 0.469 nan 8.310 nan 0.000 0.517 153 G N 1.002 109.780 108.800 -0.037 0.000 2.355 153 G HA2 0.132 4.090 3.960 -0.003 0.000 0.619 153 G HA3 0.132 4.090 3.960 -0.003 0.000 0.619 153 G C -3.455 171.374 174.900 -0.118 0.000 1.337 153 G CA -1.350 43.717 45.100 -0.055 0.000 0.993 153 G HN 0.012 nan 8.290 nan 0.000 0.599 154 P HA 0.506 nan 4.420 nan 0.000 0.271 154 P C -0.752 176.488 177.300 -0.101 0.000 1.238 154 P CA 0.441 63.429 63.100 -0.186 0.000 0.794 154 P CB 0.056 31.706 31.700 -0.083 0.000 0.959 155 Y N -4.113 116.198 120.300 0.019 0.000 2.527 155 Y HA 0.482 5.030 4.550 -0.003 0.000 0.328 155 Y C -3.283 172.627 175.900 0.018 0.000 1.216 155 Y CA -2.686 55.426 58.100 0.019 0.000 1.152 155 Y CB 0.098 38.575 38.460 0.028 0.000 1.342 155 Y HN 0.165 nan 8.280 nan 0.000 0.465 156 P HA 0.487 nan 4.420 nan 0.000 0.276 156 P C -1.121 176.289 177.300 0.183 0.000 1.252 156 P CA -0.538 62.665 63.100 0.172 0.000 0.802 156 P CB 1.612 33.364 31.700 0.087 0.000 1.035 157 V N -0.397 119.586 119.914 0.115 0.000 2.752 157 V HA 0.669 4.787 4.120 -0.003 0.000 0.302 157 V C 0.157 176.268 176.094 0.029 0.000 1.133 157 V CA -0.668 61.672 62.300 0.066 0.000 0.919 157 V CB 1.599 33.481 31.823 0.099 0.000 1.026 157 V HN 0.659 nan 8.190 nan 0.000 0.429 158 R N 2.305 122.807 120.500 0.003 0.000 2.474 158 R HA 0.991 5.330 4.340 -0.003 0.000 0.295 158 R C -0.170 176.120 176.300 -0.016 0.000 0.980 158 R CA -0.002 56.092 56.100 -0.011 0.000 0.934 158 R CB 1.682 31.971 30.300 -0.018 0.000 1.101 158 R HN 2.002 nan 8.270 nan 0.000 0.469 159 A N 0.134 122.938 122.820 -0.026 0.000 2.605 159 A HA 0.663 4.982 4.320 -0.003 0.000 0.294 159 A C 1.032 178.578 177.584 -0.062 0.000 1.062 159 A CA 0.075 52.097 52.037 -0.024 0.000 0.682 159 A CB 0.758 19.758 19.000 -0.000 0.000 1.278 159 A HN 1.679 nan 8.150 nan 0.000 0.410 160 R N 0.001 120.463 120.500 -0.063 0.000 2.081 160 R HA 0.193 4.532 4.340 -0.003 0.000 0.235 160 R C 0.234 176.284 176.300 -0.417 0.000 1.131 160 R CA 2.191 58.175 56.100 -0.192 0.000 0.960 160 R CB -0.783 29.473 30.300 -0.074 0.000 0.856 160 R HN 0.838 nan 8.270 nan 0.000 0.436 161 Y N -2.355 117.922 120.300 -0.039 0.000 2.524 161 Y HA 0.594 5.142 4.550 -0.003 0.000 0.347 161 Y C 0.529 176.406 175.900 -0.039 0.000 1.005 161 Y CA -1.200 56.873 58.100 -0.044 0.000 1.025 161 Y CB 2.618 41.041 38.460 -0.062 0.000 1.275 161 Y HN 0.248 nan 8.280 nan 0.000 0.460 162 G N 1.338 110.211 108.800 0.121 0.000 2.626 162 G HA2 0.584 4.542 3.960 -0.003 0.000 0.304 162 G HA3 0.584 4.542 3.960 -0.003 0.000 0.304 162 G C -1.895 173.033 174.900 0.046 0.000 1.385 162 G CA -0.657 44.478 45.100 0.058 0.000 0.957 162 G HN 0.422 nan 8.290 nan 0.000 0.504 163 V N 1.480 121.407 119.914 0.020 0.000 2.459 163 V HA 0.719 4.837 4.120 -0.003 0.000 0.295 163 V C 0.838 176.927 176.094 -0.007 0.000 1.029 163 V CA -0.654 61.645 62.300 -0.002 0.000 0.874 163 V CB 1.832 33.635 31.823 -0.033 0.000 0.985 163 V HN 0.880 nan 8.190 nan 0.000 0.438 164 G N 2.132 110.922 108.800 -0.015 0.000 2.391 164 G HA2 0.374 4.332 3.960 -0.003 0.000 0.305 164 G HA3 0.374 4.332 3.960 -0.003 0.000 0.305 164 G C 0.055 174.935 174.900 -0.034 0.000 1.072 164 G CA -0.123 44.959 45.100 -0.031 0.000 1.016 164 G HN 0.846 nan 8.290 nan 0.000 0.418 165 C N 3.392 122.678 119.300 -0.023 0.000 2.778 165 C HA 0.258 4.716 4.460 -0.003 0.000 0.252 165 C C 0.665 175.644 174.990 -0.018 0.000 1.693 165 C CA -1.118 57.890 59.018 -0.016 0.000 1.724 165 C CB -1.475 26.267 27.740 0.004 0.000 3.153 165 C HN 0.850 nan 8.230 nan 0.000 0.493 166 D N 0.924 121.305 120.400 -0.032 0.000 2.399 166 D HA 0.420 5.059 4.640 -0.003 0.000 0.288 166 D C 1.171 177.450 176.300 -0.035 0.000 1.197 166 D CA -0.066 53.918 54.000 -0.027 0.000 1.081 166 D CB -0.375 40.407 40.800 -0.029 0.000 1.139 166 D HN 0.202 nan 8.370 nan 0.000 0.554 167 G N -1.939 106.844 108.800 -0.029 0.000 2.485 167 G HA2 0.373 4.331 3.960 -0.003 0.000 0.260 167 G HA3 0.373 4.331 3.960 -0.003 0.000 0.260 167 G C 0.908 175.783 174.900 -0.041 0.000 1.459 167 G CA -0.166 44.919 45.100 -0.025 0.000 1.060 167 G HN 0.511 nan 8.290 nan 0.000 0.546 168 G N -1.207 107.583 108.800 -0.016 0.000 2.551 168 G HA2 -0.015 3.943 3.960 -0.003 0.000 0.216 168 G HA3 -0.015 3.943 3.960 -0.003 0.000 0.216 168 G C 1.359 176.254 174.900 -0.008 0.000 1.137 168 G CA -0.154 44.949 45.100 0.005 0.000 0.798 168 G HN 0.452 nan 8.290 nan 0.000 0.536 169 R N 1.187 121.681 120.500 -0.011 0.000 2.788 169 R HA 0.216 4.555 4.340 -0.003 0.000 0.264 169 R C 0.700 176.958 176.300 -0.069 0.000 1.267 169 R CA -0.140 55.944 56.100 -0.026 0.000 1.213 169 R CB 0.127 30.429 30.300 0.003 0.000 1.256 169 R HN 0.185 nan 8.270 nan 0.000 0.556 170 S N 1.279 116.912 115.700 -0.112 0.000 2.885 170 S HA -0.101 4.368 4.470 -0.003 0.000 0.334 170 S C 1.699 176.229 174.600 -0.116 0.000 1.224 170 S CA 0.311 58.439 58.200 -0.120 0.000 1.080 170 S CB 0.515 63.614 63.200 -0.169 0.000 0.801 170 S HN 0.558 nan 8.310 nan 0.000 0.510 171 T N 3.133 117.642 114.554 -0.075 0.000 2.777 171 T HA -0.105 4.244 4.350 -0.003 0.000 0.266 171 T C 1.775 176.433 174.700 -0.070 0.000 1.040 171 T CA 1.423 63.485 62.100 -0.063 0.000 1.141 171 T CB -0.649 68.195 68.868 -0.040 0.000 0.868 171 T HN 0.485 nan 8.240 nan 0.000 0.444 172 V N 1.859 121.732 119.914 -0.068 0.000 2.469 172 V HA -0.181 3.938 4.120 -0.003 0.000 0.251 172 V C 2.918 178.961 176.094 -0.086 0.000 1.064 172 V CA 2.138 64.400 62.300 -0.063 0.000 1.066 172 V CB -0.946 30.845 31.823 -0.052 0.000 0.667 172 V HN 0.491 nan 8.190 nan 0.000 0.461 173 R N 0.262 120.680 120.500 -0.136 0.000 2.075 173 R HA -0.156 4.182 4.340 -0.003 0.000 0.232 173 R C 2.572 178.784 176.300 -0.147 0.000 1.126 173 R CA 1.590 57.580 56.100 -0.183 0.000 0.963 173 R CB -0.259 29.833 30.300 -0.346 0.000 0.858 173 R HN 0.527 nan 8.270 nan 0.000 0.435 174 R N 0.715 121.137 120.500 -0.131 0.000 2.070 174 R HA -0.104 4.235 4.340 -0.003 0.000 0.233 174 R C 1.981 178.249 176.300 -0.054 0.000 1.137 174 R CA 1.632 57.681 56.100 -0.085 0.000 0.945 174 R CB -0.432 29.827 30.300 -0.068 0.000 0.845 174 R HN 0.286 nan 8.270 nan 0.000 0.430 175 L N 0.272 121.465 121.223 -0.050 0.000 2.551 175 L HA 0.033 4.371 4.340 -0.003 0.000 0.228 175 L C 1.908 178.761 176.870 -0.029 0.000 1.153 175 L CA 0.714 55.533 54.840 -0.034 0.000 0.851 175 L CB -0.079 41.962 42.059 -0.031 0.000 0.959 175 L HN 0.359 nan 8.230 nan 0.000 0.451 176 A N -0.469 122.330 122.820 -0.034 0.000 2.469 176 A HA 0.581 4.900 4.320 -0.003 0.000 0.245 176 A C 1.094 178.666 177.584 -0.020 0.000 1.221 176 A CA 0.333 52.355 52.037 -0.024 0.000 0.946 176 A CB 0.220 19.206 19.000 -0.023 0.000 1.049 176 A HN 0.259 nan 8.150 nan 0.000 0.529 177 A N 0.470 123.275 122.820 -0.025 0.000 1.701 177 A HA -0.003 4.316 4.320 -0.003 0.000 0.223 177 A C -0.836 176.746 177.584 -0.004 0.000 1.303 177 A CA 1.004 53.033 52.037 -0.013 0.000 0.689 177 A CB -1.460 17.538 19.000 -0.002 0.000 1.177 177 A HN 0.359 nan 8.150 nan 0.000 0.227 178 D N 0.101 120.495 120.400 -0.010 0.000 2.863 178 D HA 0.768 5.406 4.640 -0.003 0.000 0.245 178 D C 0.205 176.555 176.300 0.085 0.000 1.211 178 D CA 0.752 54.769 54.000 0.028 0.000 0.888 178 D CB 1.617 42.423 40.800 0.011 0.000 1.483 178 D HN 1.311 nan 8.370 nan 0.000 0.533 179 R N 1.845 122.441 120.500 0.161 0.000 2.483 179 R HA 0.590 4.929 4.340 -0.003 0.000 0.303 179 R C -0.162 176.288 176.300 0.250 0.000 0.987 179 R CA -0.832 55.435 56.100 0.280 0.000 0.881 179 R CB 0.079 30.490 30.300 0.184 0.000 1.177 179 R HN 0.591 nan 8.270 nan 0.000 0.451 180 F N 1.779 121.776 119.950 0.078 0.000 2.986 180 F HA -0.178 4.348 4.527 -0.003 0.000 0.309 180 F C -2.063 173.776 175.800 0.064 0.000 0.884 180 F CA 0.038 58.080 58.000 0.070 0.000 1.263 180 F CB -1.323 37.700 39.000 0.038 0.000 1.315 180 F HN 0.597 nan 8.300 nan 0.000 0.595 181 P HA 0.448 nan 4.420 nan 0.000 0.211 181 P C 1.121 178.316 177.300 -0.174 0.000 1.158 181 P CA 1.510 64.579 63.100 -0.051 0.000 0.704 181 P CB -0.092 31.608 31.700 -0.000 0.000 0.618 182 G N -2.164 106.566 108.800 -0.118 0.000 2.631 182 G HA2 0.140 4.098 3.960 -0.003 0.000 0.504 182 G HA3 0.140 4.098 3.960 -0.003 0.000 0.504 182 G C -0.536 174.329 174.900 -0.059 0.000 1.306 182 G CA -0.309 44.717 45.100 -0.123 0.000 0.897 182 G HN 0.682 nan 8.290 nan 0.000 0.520 183 T N -2.873 111.659 114.554 -0.037 0.000 2.940 183 T HA 0.906 5.255 4.350 -0.003 0.000 0.288 183 T C 0.261 174.966 174.700 0.008 0.000 1.033 183 T CA 0.844 62.940 62.100 -0.007 0.000 1.033 183 T CB 1.734 70.604 68.868 0.004 0.000 1.079 183 T HN 2.130 nan 8.240 nan 0.000 0.496 184 E N 0.513 120.725 120.200 0.019 0.000 2.366 184 E HA 0.600 4.948 4.350 -0.003 0.000 0.266 184 E C 0.441 177.068 176.600 0.045 0.000 1.051 184 E CA -0.572 55.848 56.400 0.033 0.000 0.884 184 E CB 0.140 29.859 29.700 0.031 0.000 1.006 184 E HN 1.205 nan 8.360 nan 0.000 0.417 185 A N 1.272 124.129 122.820 0.063 0.000 2.425 185 A HA 0.515 4.833 4.320 -0.003 0.000 0.249 185 A C 1.033 178.662 177.584 0.075 0.000 1.084 185 A CA 0.507 52.594 52.037 0.085 0.000 0.781 185 A CB 0.081 19.148 19.000 0.111 0.000 1.019 185 A HN 1.312 nan 8.150 nan 0.000 0.490 186 T N -1.164 113.434 114.554 0.074 0.000 3.332 186 T HA 0.415 4.763 4.350 -0.003 0.000 0.304 186 T C -0.311 174.436 174.700 0.078 0.000 0.971 186 T CA -0.008 62.129 62.100 0.061 0.000 0.954 186 T CB -0.453 68.431 68.868 0.028 0.000 1.175 186 T HN 0.452 nan 8.240 nan 0.000 0.519 187 V N 1.415 121.395 119.914 0.110 0.000 2.525 187 V HA 0.691 4.810 4.120 -0.003 0.000 0.299 187 V C -0.410 175.811 176.094 0.211 0.000 1.034 187 V CA -0.988 61.388 62.300 0.127 0.000 0.863 187 V CB 1.737 33.576 31.823 0.027 0.000 0.999 187 V HN 0.342 nan 8.190 nan 0.000 0.423 188 R N 3.195 123.811 120.500 0.194 0.000 2.407 188 R HA 0.877 5.216 4.340 -0.003 0.000 0.303 188 R C -0.306 176.107 176.300 0.188 0.000 0.981 188 R CA 0.154 56.350 56.100 0.161 0.000 0.905 188 R CB 1.290 31.624 30.300 0.056 0.000 1.099 188 R HN 1.245 nan 8.270 nan 0.000 0.459 189 A N 5.189 128.132 122.820 0.205 0.000 2.457 189 A HA 0.571 4.890 4.320 -0.003 0.000 0.283 189 A C -0.872 176.792 177.584 0.133 0.000 1.166 189 A CA -0.683 51.488 52.037 0.224 0.000 0.740 189 A CB 0.832 20.052 19.000 0.366 0.000 1.181 189 A HN 0.731 nan 8.150 nan 0.000 0.446 190 L N 4.138 125.407 121.223 0.077 0.000 2.289 190 L HA 0.719 5.057 4.340 -0.003 0.000 0.285 190 L C 0.077 176.989 176.870 0.069 0.000 1.049 190 L CA -0.565 54.290 54.840 0.025 0.000 0.804 190 L CB 1.273 43.320 42.059 -0.020 0.000 1.195 190 L HN 0.782 nan 8.230 nan 0.000 0.428 191 I N -0.265 120.359 120.570 0.091 0.000 3.002 191 I HA 1.050 5.218 4.170 -0.003 0.000 0.310 191 I C -0.398 175.721 176.117 0.004 0.000 1.087 191 I CA -0.574 60.802 61.300 0.127 0.000 1.017 191 I CB 2.662 40.853 38.000 0.318 0.000 1.226 191 I HN 0.608 nan 8.210 nan 0.000 0.443 192 G N 1.185 109.865 108.800 -0.200 0.000 2.433 192 G HA2 0.448 4.407 3.960 -0.003 0.000 0.306 192 G HA3 0.448 4.407 3.960 -0.003 0.000 0.306 192 G C -1.444 172.979 174.900 -0.795 0.000 1.627 192 G CA -0.167 44.534 45.100 -0.666 0.000 0.893 192 G HN 1.257 nan 8.290 nan 0.000 0.648 193 Y N -0.137 119.331 120.300 -1.387 0.000 2.335 193 Y HA 0.669 5.218 4.550 -0.003 0.000 0.331 193 Y C 0.101 175.766 175.900 -0.391 0.000 1.094 193 Y CA -0.686 57.017 58.100 -0.662 0.000 1.253 193 Y CB 1.393 39.618 38.460 -0.391 0.000 1.203 193 Y HN 1.135 nan 8.280 nan 0.000 0.508 194 V N 3.784 123.579 119.914 -0.199 0.000 2.775 194 V HA 0.654 4.773 4.120 -0.003 0.000 0.295 194 V C -0.541 175.512 176.094 -0.068 0.000 1.226 194 V CA -0.530 61.692 62.300 -0.131 0.000 0.934 194 V CB 1.648 33.393 31.823 -0.130 0.000 1.056 194 V HN 1.458 nan 8.190 nan 0.000 0.436 195 T N -0.528 113.999 114.554 -0.044 0.000 2.893 195 T HA 0.333 4.681 4.350 -0.003 0.000 0.337 195 T C -0.245 174.446 174.700 -0.016 0.000 1.587 195 T CA -0.401 61.685 62.100 -0.023 0.000 1.066 195 T CB 1.875 70.737 68.868 -0.010 0.000 1.414 195 T HN 0.469 nan 8.240 nan 0.000 0.488 196 T N 2.056 116.603 114.554 -0.012 0.000 3.260 196 T HA 0.350 4.698 4.350 -0.003 0.000 0.254 196 T C -2.374 172.318 174.700 -0.015 0.000 0.951 196 T CA -1.524 60.570 62.100 -0.011 0.000 0.918 196 T CB -1.250 67.614 68.868 -0.005 0.000 1.098 196 T HN 0.354 nan 8.240 nan 0.000 0.563 197 P HA 0.115 nan 4.420 nan 0.000 0.240 197 P C 0.525 177.815 177.300 -0.017 0.000 1.079 197 P CA 1.791 64.877 63.100 -0.022 0.000 0.839 197 P CB -0.778 30.903 31.700 -0.030 0.000 0.750 198 E N 0.936 121.128 120.200 -0.014 0.000 5.214 198 E HA -0.037 4.311 4.350 -0.003 0.000 0.185 198 E C 0.698 177.293 176.600 -0.009 0.000 1.449 198 E CA 1.187 57.580 56.400 -0.011 0.000 2.396 198 E CB -1.868 27.825 29.700 -0.012 0.000 2.017 198 E HN 0.819 nan 8.360 nan 0.000 0.486 199 R N 0.102 120.598 120.500 -0.008 0.000 3.734 199 R HA 0.029 4.367 4.340 -0.003 0.000 0.101 199 R C 0.671 176.967 176.300 -0.006 0.000 0.644 199 R CA 2.101 58.197 56.100 -0.007 0.000 0.718 199 R CB -1.053 29.243 30.300 -0.007 0.000 1.178 199 R HN 1.904 nan 8.270 nan 0.000 0.215 200 E N 1.209 121.406 120.200 -0.005 0.000 2.499 200 E HA 0.507 4.855 4.350 -0.003 0.000 0.207 200 E C 0.462 177.060 176.600 -0.004 0.000 1.034 200 E CA 0.935 57.333 56.400 -0.004 0.000 1.098 200 E CB 0.323 30.021 29.700 -0.003 0.000 1.148 200 E HN 1.561 nan 8.360 nan 0.000 0.447 201 V N 0.035 119.947 119.914 -0.005 0.000 5.652 201 V HA 0.201 4.319 4.120 -0.003 0.000 0.776 201 V C -2.139 173.951 176.094 -0.006 0.000 2.208 201 V CA -0.777 61.520 62.300 -0.005 0.000 3.979 201 V CB -0.273 31.547 31.823 -0.005 0.000 0.393 201 V HN 0.064 nan 8.190 nan 0.000 0.608 202 P HA 0.875 nan 4.420 nan 0.000 0.310 202 P C 0.497 177.792 177.300 -0.008 0.000 1.399 202 P CA 1.137 64.234 63.100 -0.006 0.000 0.849 202 P CB 0.245 31.941 31.700 -0.006 0.000 2.098 203 R N -0.910 119.585 120.500 -0.009 0.000 2.947 203 R HA 0.769 5.108 4.340 -0.003 0.000 0.253 203 R C -0.049 176.243 176.300 -0.014 0.000 1.208 203 R CA -0.562 55.530 56.100 -0.013 0.000 1.012 203 R CB 0.117 30.408 30.300 -0.015 0.000 1.267 203 R HN 0.317 nan 8.270 nan 0.000 0.473 204 R N -1.203 119.282 120.500 -0.024 0.000 2.617 204 R HA 0.208 4.547 4.340 -0.003 0.000 0.432 204 R C -0.567 175.703 176.300 -0.050 0.000 1.018 204 R CA 0.340 56.424 56.100 -0.026 0.000 1.077 204 R CB 0.880 31.166 30.300 -0.025 0.000 1.394 204 R HN 0.721 nan 8.270 nan 0.000 0.608 205 W N 1.071 122.342 121.300 -0.049 0.000 2.497 205 W HA 0.305 4.963 4.660 -0.003 0.000 0.359 205 W C 1.185 177.686 176.519 -0.029 0.000 1.131 205 W CA -0.395 56.903 57.345 -0.079 0.000 1.280 205 W CB 0.597 30.014 29.460 -0.072 0.000 1.319 205 W HN 0.244 nan 8.180 nan 0.000 0.626 206 E N 1.053 121.243 120.200 -0.016 0.000 2.001 206 E HA 0.216 4.565 4.350 -0.003 0.000 0.193 206 E C 1.491 178.133 176.600 0.069 0.000 0.994 206 E CA 2.629 59.079 56.400 0.084 0.000 0.815 206 E CB -0.287 29.551 29.700 0.231 0.000 0.770 206 E HN 1.720 nan 8.360 nan 0.000 0.453 207 R N -0.392 120.150 120.500 0.070 0.000 1.094 207 R HA -0.085 4.254 4.340 -0.003 0.000 0.425 207 R C -0.207 176.125 176.300 0.053 0.000 1.354 207 R CA 0.866 56.995 56.100 0.049 0.000 1.170 207 R CB -3.116 27.201 30.300 0.028 0.000 3.409 207 R HN 0.825 nan 8.270 nan 0.000 0.505 208 T N 2.210 116.790 114.554 0.044 0.000 3.317 208 T HA 0.611 4.959 4.350 -0.003 0.000 0.361 208 T C -2.104 172.610 174.700 0.024 0.000 1.499 208 T CA -1.132 60.989 62.100 0.035 0.000 1.529 208 T CB 1.559 70.446 68.868 0.032 0.000 0.997 208 T HN 0.745 nan 8.240 nan 0.000 0.624 209 P HA 0.325 nan 4.420 nan 0.000 0.278 209 P C 0.204 177.513 177.300 0.015 0.000 1.270 209 P CA 0.109 63.220 63.100 0.017 0.000 0.800 209 P CB 0.212 31.924 31.700 0.019 0.000 1.142 210 D N -1.298 119.109 120.400 0.012 0.000 2.317 210 D HA 0.474 5.112 4.640 -0.003 0.000 0.234 210 D C 0.982 177.292 176.300 0.017 0.000 1.112 210 D CA -0.027 53.979 54.000 0.010 0.000 0.840 210 D CB 0.218 41.020 40.800 0.003 0.000 1.078 210 D HN 0.679 nan 8.370 nan 0.000 0.486 211 G N -0.679 108.134 108.800 0.022 0.000 2.428 211 G HA2 0.402 4.360 3.960 -0.003 0.000 0.199 211 G HA3 0.402 4.360 3.960 -0.003 0.000 0.199 211 G C 0.646 175.575 174.900 0.048 0.000 1.005 211 G CA 0.677 45.797 45.100 0.034 0.000 0.671 211 G HN 2.219 nan 8.290 nan 0.000 0.485 212 I N -0.999 119.595 120.570 0.040 0.000 3.203 212 I HA 0.850 5.018 4.170 -0.003 0.000 0.321 212 I C -1.415 174.725 176.117 0.038 0.000 1.415 212 I CA -0.283 61.045 61.300 0.046 0.000 0.909 212 I CB 1.180 39.214 38.000 0.056 0.000 1.260 212 I HN 1.664 nan 8.210 nan 0.000 0.499 213 L N 0.030 121.280 121.223 0.045 0.000 2.439 213 L HA 0.944 5.282 4.340 -0.003 0.000 0.270 213 L C -0.654 176.253 176.870 0.060 0.000 0.972 213 L CA -0.799 54.070 54.840 0.048 0.000 0.836 213 L CB 0.758 42.843 42.059 0.043 0.000 1.255 213 L HN 1.613 nan 8.230 nan 0.000 0.404 214 V N 4.858 124.805 119.914 0.054 0.000 3.302 214 V HA 0.734 4.853 4.120 -0.003 0.000 0.316 214 V C -0.838 175.293 176.094 0.063 0.000 1.111 214 V CA -0.701 61.632 62.300 0.054 0.000 1.029 214 V CB 2.076 33.921 31.823 0.037 0.000 1.170 214 V HN 0.957 nan 8.190 nan 0.000 0.452 215 L N 2.966 124.224 121.223 0.059 0.000 2.811 215 L HA 0.746 5.084 4.340 -0.003 0.000 0.251 215 L C -0.631 176.268 176.870 0.048 0.000 0.971 215 L CA 0.001 54.878 54.840 0.063 0.000 0.990 215 L CB 0.835 42.949 42.059 0.092 0.000 1.320 215 L HN 0.869 nan 8.230 nan 0.000 0.473 216 A N 3.295 126.133 122.820 0.030 0.000 2.288 216 A HA 1.048 5.367 4.320 -0.003 0.000 0.328 216 A C -0.510 177.085 177.584 0.017 0.000 1.123 216 A CA 0.318 52.367 52.037 0.019 0.000 0.861 216 A CB 1.273 20.278 19.000 0.009 0.000 1.272 216 A HN 1.586 nan 8.150 nan 0.000 0.490 217 F N -2.156 117.801 119.950 0.013 0.000 3.569 217 F HA 0.692 5.218 4.527 -0.003 0.000 0.328 217 F C -2.766 173.040 175.800 0.011 0.000 1.077 217 F CA -0.638 57.371 58.000 0.015 0.000 0.832 217 F CB -0.893 38.125 39.000 0.029 0.000 1.588 217 F HN 0.941 nan 8.300 nan 0.000 0.482 218 P HA -0.085 nan 4.420 nan 0.000 0.299 218 P C -3.069 174.234 177.300 0.006 0.000 1.969 218 P CA 0.863 63.971 63.100 0.013 0.000 1.765 218 P CB -0.629 31.078 31.700 0.012 0.000 0.238 227 W N 0.246 121.530 121.300 -0.027 0.000 2.606 227 W HA 0.867 5.526 4.660 -0.003 0.000 0.332 227 W C -0.164 176.370 176.519 0.026 0.000 1.052 227 W CA -0.842 56.500 57.345 -0.006 0.000 1.223 227 W CB 2.074 31.514 29.460 -0.033 0.000 1.383 227 W HN 1.125 nan 8.180 nan 0.000 0.524 228 S N 1.858 117.590 115.700 0.055 0.000 2.614 228 S HA 0.604 5.072 4.470 -0.003 0.000 0.275 228 S C -1.162 173.489 174.600 0.085 0.000 1.161 228 S CA 0.039 58.292 58.200 0.089 0.000 0.969 228 S CB 1.437 64.711 63.200 0.124 0.000 1.059 228 S HN 1.475 nan 8.310 nan 0.000 0.482 229 S N 3.178 118.931 115.700 0.089 0.000 2.736 229 S HA 0.658 5.126 4.470 -0.003 0.000 0.285 229 S C -1.206 173.457 174.600 0.105 0.000 1.163 229 S CA -0.455 57.792 58.200 0.078 0.000 1.025 229 S CB 1.129 64.353 63.200 0.040 0.000 1.030 229 S HN 0.659 nan 8.310 nan 0.000 0.486 230 S N 3.190 118.962 115.700 0.120 0.000 2.451 230 S HA 0.632 5.100 4.470 -0.003 0.000 0.301 230 S C -0.597 174.062 174.600 0.098 0.000 1.116 230 S CA -0.682 57.605 58.200 0.146 0.000 1.093 230 S CB 1.609 64.910 63.200 0.168 0.000 1.017 230 S HN 0.607 nan 8.310 nan 0.000 0.482 231 S N 1.992 117.757 115.700 0.108 0.000 2.478 231 S HA 0.483 4.951 4.470 -0.003 0.000 0.312 231 S C -0.311 174.394 174.600 0.175 0.000 1.094 231 S CA -0.678 57.608 58.200 0.143 0.000 1.081 231 S CB 1.448 64.735 63.200 0.145 0.000 1.007 231 S HN 0.638 nan 8.310 nan 0.000 0.475 232 T N 2.455 117.080 114.554 0.119 0.000 2.738 232 T HA 0.577 4.925 4.350 -0.003 0.000 0.298 232 T C 0.830 175.552 174.700 0.037 0.000 0.962 232 T CA 0.162 62.299 62.100 0.062 0.000 0.972 232 T CB 0.723 69.595 68.868 0.006 0.000 0.928 232 T HN 1.021 nan 8.240 nan 0.000 0.474 233 G N 3.013 111.824 108.800 0.018 0.000 2.157 233 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.114 233 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.114 233 G C -0.506 174.248 174.900 -0.244 0.000 1.041 233 G CA -0.790 44.250 45.100 -0.100 0.000 0.714 233 G HN 0.773 nan 8.290 nan 0.000 0.492 234 H N 0.838 119.923 119.070 0.026 0.000 2.658 234 H HA 0.665 5.219 4.556 -0.003 0.000 0.337 234 H C 0.414 175.762 175.328 0.034 0.000 1.009 234 H CA 0.251 56.316 56.048 0.029 0.000 1.231 234 H CB 1.642 31.424 29.762 0.033 0.000 1.508 234 H HN 0.359 nan 8.280 nan 0.000 0.517 242 P HA 0.533 nan 4.420 nan 0.000 0.272 242 P C -0.762 176.519 177.300 -0.031 0.000 1.230 242 P CA -0.473 62.613 63.100 -0.024 0.000 0.788 242 P CB 1.430 33.120 31.700 -0.016 0.000 0.949 243 V N 0.972 120.861 119.914 -0.043 0.000 2.465 243 V HA 0.383 4.502 4.120 -0.003 0.000 0.279 243 V C 0.183 176.251 176.094 -0.044 0.000 1.045 243 V CA 0.069 62.339 62.300 -0.050 0.000 0.938 243 V CB 1.284 33.063 31.823 -0.073 0.000 0.986 243 V HN 0.831 nan 8.190 nan 0.000 0.467 244 T N 4.832 119.361 114.554 -0.042 0.000 2.949 244 T HA 0.339 4.688 4.350 -0.003 0.000 0.287 244 T C 0.676 175.347 174.700 -0.047 0.000 1.034 244 T CA -0.279 61.797 62.100 -0.040 0.000 1.018 244 T CB 1.438 70.287 68.868 -0.031 0.000 1.135 244 T HN 0.623 nan 8.240 nan 0.000 0.532 245 L N 2.715 123.909 121.223 -0.047 0.000 2.017 245 L HA 0.164 4.502 4.340 -0.003 0.000 0.208 245 L C 2.786 179.630 176.870 -0.044 0.000 1.073 245 L CA 2.966 57.775 54.840 -0.052 0.000 0.745 245 L CB -1.339 40.689 42.059 -0.051 0.000 0.894 245 L HN 0.955 nan 8.230 nan 0.000 0.432 246 E N -1.217 118.961 120.200 -0.036 0.000 2.265 246 E HA -0.253 4.095 4.350 -0.003 0.000 0.196 246 E C 1.898 178.479 176.600 -0.031 0.000 0.996 246 E CA 1.278 57.660 56.400 -0.030 0.000 0.832 246 E CB -0.959 28.727 29.700 -0.024 0.000 0.756 246 E HN 0.638 nan 8.360 nan 0.000 0.491 247 D N -0.657 119.721 120.400 -0.036 0.000 2.224 247 D HA -0.060 4.579 4.640 -0.003 0.000 0.205 247 D C 1.786 178.058 176.300 -0.046 0.000 0.965 247 D CA 0.778 54.754 54.000 -0.041 0.000 0.852 247 D CB 0.135 40.908 40.800 -0.044 0.000 0.947 247 D HN 0.399 nan 8.370 nan 0.000 0.494 248 L N -0.139 121.056 121.223 -0.046 0.000 2.249 248 L HA 0.230 4.568 4.340 -0.003 0.000 0.207 248 L C 2.115 178.964 176.870 -0.036 0.000 1.090 248 L CA 1.421 56.234 54.840 -0.046 0.000 0.802 248 L CB -0.713 41.313 42.059 -0.054 0.000 0.947 248 L HN -0.010 nan 8.230 nan 0.000 0.453 249 G N -0.564 108.216 108.800 -0.034 0.000 2.421 249 G HA2 -0.258 3.701 3.960 -0.003 0.000 0.216 249 G HA3 -0.258 3.701 3.960 -0.003 0.000 0.216 249 G C 1.546 176.434 174.900 -0.020 0.000 1.171 249 G CA 0.764 45.848 45.100 -0.026 0.000 0.775 249 G HN 0.567 nan 8.290 nan 0.000 0.543 250 A N 0.936 123.742 122.820 -0.022 0.000 1.968 250 A HA 0.420 4.739 4.320 -0.003 0.000 0.217 250 A C 2.740 180.311 177.584 -0.023 0.000 1.169 250 A CA 1.791 53.817 52.037 -0.018 0.000 0.638 250 A CB -0.570 18.419 19.000 -0.018 0.000 0.812 250 A HN 0.753 nan 8.150 nan 0.000 0.446 251 A N -0.318 122.480 122.820 -0.036 0.000 2.024 251 A HA 0.020 4.338 4.320 -0.003 0.000 0.220 251 A C 1.402 178.975 177.584 -0.018 0.000 1.164 251 A CA 1.454 53.464 52.037 -0.044 0.000 0.643 251 A CB -0.688 18.281 19.000 -0.052 0.000 0.806 251 A HN 0.452 nan 8.150 nan 0.000 0.451 252 V N 0.434 120.341 119.914 -0.012 0.000 3.111 252 V HA 0.180 4.298 4.120 -0.003 0.000 0.381 252 V C 1.739 177.835 176.094 0.003 0.000 1.387 252 V CA 0.566 62.866 62.300 -0.001 0.000 1.550 252 V CB -0.989 30.832 31.823 -0.004 0.000 1.305 252 V HN 0.550 nan 8.190 nan 0.000 0.494 253 A N 0.403 123.227 122.820 0.007 0.000 2.208 253 A HA -0.034 4.285 4.320 -0.003 0.000 0.209 253 A C 2.366 179.962 177.584 0.020 0.000 1.161 253 A CA 0.826 52.872 52.037 0.014 0.000 0.782 253 A CB -0.275 18.738 19.000 0.022 0.000 0.816 253 A HN 0.446 nan 8.150 nan 0.000 0.477 254 R N -0.552 119.961 120.500 0.021 0.000 2.148 254 R HA 0.072 4.410 4.340 -0.003 0.000 0.223 254 R C 0.544 176.855 176.300 0.018 0.000 1.088 254 R CA 1.297 57.411 56.100 0.025 0.000 0.985 254 R CB -1.010 29.308 30.300 0.030 0.000 0.880 254 R HN 0.324 nan 8.270 nan 0.000 0.451 255 V N -0.507 119.415 119.914 0.014 0.000 2.713 255 V HA 0.581 4.699 4.120 -0.003 0.000 0.307 255 V C 1.776 177.874 176.094 0.007 0.000 1.052 255 V CA -0.043 62.262 62.300 0.010 0.000 0.967 255 V CB 1.388 33.216 31.823 0.008 0.000 1.019 255 V HN 0.475 nan 8.190 nan 0.000 0.459 256 R N 2.462 122.965 120.500 0.005 0.000 2.065 256 R HA 0.226 4.564 4.340 -0.003 0.000 0.224 256 R C 1.493 177.794 176.300 0.002 0.000 1.161 256 R CA 0.895 56.998 56.100 0.003 0.000 0.923 256 R CB -1.338 28.964 30.300 0.002 0.000 0.822 256 R HN 1.232 nan 8.270 nan 0.000 0.437 257 G N 0.895 109.695 108.800 0.000 0.000 2.224 257 G HA2 0.276 4.234 3.960 -0.003 0.000 0.239 257 G HA3 0.276 4.234 3.960 -0.003 0.000 0.239 257 G C -0.302 174.597 174.900 -0.002 0.000 1.240 257 G CA 0.603 45.703 45.100 -0.001 0.000 0.896 257 G HN 0.517 nan 8.290 nan 0.000 0.496 258 T N 5.521 120.073 114.554 -0.003 0.000 3.355 258 T HA 0.313 4.661 4.350 -0.003 0.000 0.376 258 T C -1.061 173.634 174.700 -0.007 0.000 1.683 258 T CA -0.761 61.337 62.100 -0.004 0.000 1.269 258 T CB 1.328 70.193 68.868 -0.004 0.000 1.158 258 T HN 0.391 nan 8.240 nan 0.000 0.703 259 P HA -0.025 nan 4.420 nan 0.000 0.210 259 P C 1.269 178.561 177.300 -0.014 0.000 1.185 259 P CA 0.844 63.938 63.100 -0.011 0.000 0.924 259 P CB -0.342 31.351 31.700 -0.012 0.000 0.786 260 L N -1.625 119.588 121.223 -0.017 0.000 3.995 260 L HA -0.067 4.271 4.340 -0.003 0.000 0.513 260 L C 1.035 177.892 176.870 -0.021 0.000 1.147 260 L CA 2.051 56.879 54.840 -0.020 0.000 0.703 260 L CB -3.061 38.988 42.059 -0.017 0.000 1.306 260 L HN 0.605 nan 8.230 nan 0.000 0.779 261 T N -3.126 111.413 114.554 -0.025 0.000 3.507 261 T HA 0.838 5.186 4.350 -0.003 0.000 0.280 261 T C 1.497 176.181 174.700 -0.027 0.000 0.976 261 T CA 2.189 64.272 62.100 -0.029 0.000 1.096 261 T CB -0.086 68.758 68.868 -0.039 0.000 1.168 261 T HN 2.287 nan 8.240 nan 0.000 0.463 262 L N 0.006 121.212 121.223 -0.028 0.000 3.140 262 L HA 0.897 5.236 4.340 -0.003 0.000 0.220 262 L C 0.269 177.118 176.870 -0.036 0.000 1.508 262 L CA 0.500 55.322 54.840 -0.031 0.000 2.372 262 L CB -0.032 42.012 42.059 -0.024 0.000 2.266 262 L HN 0.145 nan 8.230 nan 0.000 0.788 263 T N 1.065 115.601 114.554 -0.030 0.000 2.881 263 T HA 0.680 5.029 4.350 -0.003 0.000 0.291 263 T C -0.273 174.413 174.700 -0.023 0.000 0.990 263 T CA 0.968 63.049 62.100 -0.031 0.000 0.976 263 T CB 0.722 69.572 68.868 -0.030 0.000 0.970 263 T HN 2.202 nan 8.240 nan 0.000 0.438 264 E N 2.156 122.343 120.200 -0.022 0.000 4.675 264 E HA -0.084 4.264 4.350 -0.003 0.000 0.163 264 E C -2.719 173.860 176.600 -0.036 0.000 1.720 264 E CA -0.349 56.034 56.400 -0.028 0.000 1.052 264 E CB -2.519 27.161 29.700 -0.034 0.000 1.047 264 E HN 0.503 nan 8.360 nan 0.000 0.344 265 P HA 0.202 nan 4.420 nan 0.000 0.266 265 P C 0.782 178.051 177.300 -0.051 0.000 1.180 265 P CA 0.510 63.591 63.100 -0.031 0.000 0.765 265 P CB 1.149 32.838 31.700 -0.018 0.000 0.806 266 V N 1.853 121.733 119.914 -0.057 0.000 3.083 266 V HA 0.578 4.697 4.120 -0.003 0.000 0.306 266 V C -0.227 175.808 176.094 -0.097 0.000 1.077 266 V CA 0.175 62.420 62.300 -0.091 0.000 1.073 266 V CB 1.398 33.170 31.823 -0.084 0.000 1.081 266 V HN 0.483 nan 8.190 nan 0.000 0.474 267 S N 4.786 120.369 115.700 -0.196 0.000 2.572 267 S HA 0.498 4.967 4.470 -0.003 0.000 0.274 267 S C -0.178 174.181 174.600 -0.401 0.000 1.150 267 S CA -0.209 57.873 58.200 -0.195 0.000 0.944 267 S CB 1.094 64.184 63.200 -0.183 0.000 1.071 267 S HN 1.316 nan 8.310 nan 0.000 0.479 268 W N 3.012 124.320 121.300 0.012 0.000 2.491 268 W HA -0.395 4.266 4.660 0.002 0.000 0.335 268 W C 0.265 176.824 176.519 0.066 0.000 1.693 268 W CA 1.494 58.878 57.345 0.065 0.000 1.699 268 W CB -2.184 27.470 29.460 0.323 0.000 0.914 268 W HN 1.477 nan 8.180 nan 0.000 0.480 269 L N 0.251 121.558 121.223 0.139 0.000 2.768 269 L HA 0.094 4.432 4.340 -0.003 0.000 0.566 269 L C -0.678 176.249 176.870 0.095 0.000 1.001 269 L CA 0.932 55.762 54.840 -0.017 0.000 1.287 269 L CB -1.777 40.184 42.059 -0.164 0.000 1.674 269 L HN 0.732 nan 8.230 nan 0.000 0.827 270 S N 1.570 117.315 115.700 0.074 0.000 2.806 270 S HA 1.095 5.563 4.470 -0.003 0.000 0.306 270 S C -0.007 174.350 174.600 -0.405 0.000 1.167 270 S CA -0.424 57.676 58.200 -0.167 0.000 0.847 270 S CB 1.742 64.815 63.200 -0.212 0.000 1.216 270 S HN 1.315 nan 8.310 nan 0.000 0.532 271 R N 0.389 120.454 120.500 -0.723 0.000 2.686 271 R HA 0.870 5.208 4.340 -0.003 0.000 0.283 271 R C -1.688 174.080 176.300 -0.888 0.000 0.978 271 R CA -0.702 55.053 56.100 -0.576 0.000 0.897 271 R CB 0.439 30.584 30.300 -0.258 0.000 1.192 271 R HN 0.578 nan 8.270 nan 0.000 0.457 272 F N 0.318 120.273 119.950 0.009 0.000 2.591 272 F HA 0.748 5.274 4.527 -0.002 0.000 0.309 272 F C 0.929 176.751 175.800 0.037 0.000 1.098 272 F CA -0.973 57.010 58.000 -0.028 0.000 0.937 272 F CB 3.210 42.125 39.000 -0.143 0.000 1.250 272 F HN 0.860 nan 8.300 nan 0.000 0.447 273 G N -0.092 108.862 108.800 0.257 0.000 2.667 273 G HA2 0.427 4.385 3.960 -0.003 0.000 0.310 273 G HA3 0.427 4.385 3.960 -0.003 0.000 0.310 273 G C -0.946 174.174 174.900 0.366 0.000 1.259 273 G CA -0.624 44.641 45.100 0.275 0.000 1.019 273 G HN 0.662 nan 8.290 nan 0.000 0.496 274 D N -0.965 119.653 120.400 0.364 0.000 2.643 274 D HA 0.325 4.963 4.640 -0.003 0.000 0.244 274 D C 0.875 177.293 176.300 0.197 0.000 1.257 274 D CA -0.269 53.955 54.000 0.373 0.000 0.831 274 D CB 0.227 41.167 40.800 0.234 0.000 1.043 274 D HN 0.468 nan 8.370 nan 0.000 0.488 275 A N 0.202 123.115 122.820 0.155 0.000 2.524 275 A HA 0.353 4.672 4.320 -0.003 0.000 0.250 275 A C 0.378 178.009 177.584 0.078 0.000 1.078 275 A CA -0.149 51.943 52.037 0.091 0.000 0.761 275 A CB 0.270 19.315 19.000 0.075 0.000 1.012 275 A HN 0.170 nan 8.150 nan 0.000 0.500 276 S N 3.352 119.077 115.700 0.041 0.000 2.457 276 S HA 0.314 4.782 4.470 -0.003 0.000 0.216 276 S C 0.094 174.655 174.600 -0.065 0.000 1.392 276 S CA -0.527 57.693 58.200 0.033 0.000 1.102 276 S CB 0.016 63.247 63.200 0.052 0.000 1.114 276 S HN 0.733 nan 8.310 nan 0.000 0.484 277 R N 1.646 122.046 120.500 -0.165 0.000 2.720 277 R HA 0.640 4.978 4.340 -0.003 0.000 0.272 277 R C -0.423 175.594 176.300 -0.471 0.000 0.991 277 R CA -0.859 54.959 56.100 -0.470 0.000 1.010 277 R CB 1.218 31.005 30.300 -0.856 0.000 1.141 277 R HN 0.428 nan 8.270 nan 0.000 0.494 278 Q N 0.768 120.232 119.800 -0.559 0.000 2.364 278 Q HA 0.321 4.659 4.340 -0.003 0.000 0.257 278 Q C -1.562 174.577 176.000 0.231 0.000 0.956 278 Q CA -0.460 55.309 55.803 -0.057 0.000 0.924 278 Q CB 2.137 30.919 28.738 0.073 0.000 1.413 278 Q HN 0.846 nan 8.270 nan 0.000 0.418 279 A N 2.190 125.366 122.820 0.594 0.000 2.603 279 A HA -0.040 4.278 4.320 -0.003 0.000 0.235 279 A C 0.840 178.670 177.584 0.410 0.000 1.035 279 A CA 0.883 53.206 52.037 0.476 0.000 0.755 279 A CB 0.550 19.633 19.000 0.137 0.000 0.954 279 A HN 0.677 nan 8.150 nan 0.000 0.511 280 K N 1.336 121.913 120.400 0.295 0.000 2.366 280 K HA 0.214 4.532 4.320 -0.003 0.000 0.198 280 K C 0.919 177.607 176.600 0.146 0.000 1.044 280 K CA 1.750 58.157 56.287 0.200 0.000 0.973 280 K CB -0.583 31.999 32.500 0.136 0.000 0.767 280 K HN 1.544 nan 8.250 nan 0.000 0.475 281 R N -0.412 120.204 120.500 0.193 0.000 2.522 281 R HA 0.534 4.872 4.340 -0.003 0.000 0.283 281 R C -0.053 176.442 176.300 0.325 0.000 1.074 281 R CA -0.413 55.790 56.100 0.172 0.000 0.925 281 R CB -0.291 29.990 30.300 -0.032 0.000 1.205 281 R HN 0.301 nan 8.270 nan 0.000 0.436 282 Y N 0.623 121.134 120.300 0.352 0.000 2.439 282 Y HA 0.087 4.636 4.550 -0.003 0.000 0.292 282 Y C 1.430 177.471 175.900 0.234 0.000 1.130 282 Y CA 1.690 59.977 58.100 0.312 0.000 1.254 282 Y CB 0.439 39.096 38.460 0.328 0.000 1.000 282 Y HN 0.657 nan 8.280 nan 0.000 0.554 283 R N -0.245 120.418 120.500 0.272 0.000 2.599 283 R HA 0.493 4.832 4.340 -0.003 0.000 0.295 283 R C -0.995 175.342 176.300 0.062 0.000 0.963 283 R CA -0.353 55.837 56.100 0.150 0.000 0.883 283 R CB 1.495 31.869 30.300 0.124 0.000 1.171 283 R HN -0.143 nan 8.270 nan 0.000 0.450 284 S N 2.874 118.606 115.700 0.053 0.000 2.279 284 S HA 0.442 4.910 4.470 -0.003 0.000 0.176 284 S C 0.379 174.995 174.600 0.027 0.000 1.554 284 S CA 0.389 58.604 58.200 0.024 0.000 1.242 284 S CB 0.517 63.726 63.200 0.014 0.000 1.163 284 S HN 1.063 nan 8.310 nan 0.000 0.449 285 G N 3.228 112.045 108.800 0.029 0.000 4.026 285 G HA2 -0.295 3.664 3.960 -0.003 0.000 0.309 285 G HA3 -0.295 3.664 3.960 -0.003 0.000 0.309 285 G C 0.600 175.548 174.900 0.079 0.000 1.411 285 G CA 0.527 45.645 45.100 0.030 0.000 1.037 285 G HN 1.605 nan 8.290 nan 0.000 0.687 286 R N -0.611 119.923 120.500 0.056 0.000 2.590 286 R HA 0.758 5.096 4.340 -0.003 0.000 0.410 286 R C 0.329 176.713 176.300 0.139 0.000 1.010 286 R CA 1.084 57.250 56.100 0.109 0.000 1.155 286 R CB 0.094 30.246 30.300 -0.247 0.000 1.455 286 R HN 1.299 nan 8.270 nan 0.000 0.567 287 V N 1.223 121.190 119.914 0.087 0.000 2.532 287 V HA 0.717 4.835 4.120 -0.003 0.000 0.295 287 V C -0.228 175.912 176.094 0.076 0.000 1.041 287 V CA -0.837 61.503 62.300 0.068 0.000 0.926 287 V CB 1.711 33.549 31.823 0.026 0.000 0.992 287 V HN 0.417 nan 8.190 nan 0.000 0.457 288 L N 4.464 125.721 121.223 0.057 0.000 2.371 288 L HA 0.668 5.006 4.340 -0.003 0.000 0.262 288 L C -1.010 175.891 176.870 0.051 0.000 1.006 288 L CA -0.569 54.311 54.840 0.066 0.000 0.818 288 L CB 2.319 44.367 42.059 -0.018 0.000 1.354 288 L HN 0.379 nan 8.230 nan 0.000 0.415 289 L N 1.265 122.555 121.223 0.112 0.000 2.341 289 L HA 0.975 5.313 4.340 -0.003 0.000 0.267 289 L C -0.471 176.469 176.870 0.116 0.000 1.009 289 L CA -0.581 54.271 54.840 0.019 0.000 0.819 289 L CB 2.054 44.039 42.059 -0.124 0.000 1.323 289 L HN 0.760 nan 8.230 nan 0.000 0.425 290 A N 0.847 123.686 122.820 0.032 0.000 2.606 290 A HA 0.838 5.156 4.320 -0.003 0.000 0.293 290 A C -0.063 177.502 177.584 -0.031 0.000 1.082 290 A CA 0.061 52.169 52.037 0.119 0.000 0.685 290 A CB 1.273 20.369 19.000 0.161 0.000 1.284 290 A HN 1.080 nan 8.150 nan 0.000 0.408 291 G N 0.891 109.685 108.800 -0.009 0.000 2.574 291 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.282 291 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.282 291 G C 0.369 175.022 174.900 -0.412 0.000 1.257 291 G CA 1.004 46.045 45.100 -0.097 0.000 0.956 291 G HN 0.949 nan 8.290 nan 0.000 0.560 292 D N 0.629 120.908 120.400 -0.202 0.000 2.265 292 D HA 0.114 4.752 4.640 -0.003 0.000 0.208 292 D C 2.625 178.823 176.300 -0.170 0.000 0.977 292 D CA 1.907 55.800 54.000 -0.177 0.000 0.871 292 D CB -0.611 40.140 40.800 -0.081 0.000 0.925 292 D HN 0.903 nan 8.370 nan 0.000 0.485 293 A N -0.212 122.498 122.820 -0.182 0.000 2.216 293 A HA 0.192 4.510 4.320 -0.003 0.000 0.214 293 A C 1.973 179.420 177.584 -0.229 0.000 1.160 293 A CA 1.598 53.524 52.037 -0.185 0.000 0.725 293 A CB -0.053 18.855 19.000 -0.152 0.000 0.784 293 A HN 0.232 nan 8.150 nan 0.000 0.472 294 A N -1.115 121.527 122.820 -0.298 0.000 2.066 294 A HA 0.457 4.775 4.320 -0.003 0.000 0.198 294 A C 0.495 178.055 177.584 -0.039 0.000 1.405 294 A CA 0.637 52.478 52.037 -0.327 0.000 0.973 294 A CB 0.148 18.736 19.000 -0.686 0.000 1.026 294 A HN 0.724 nan 8.150 nan 0.000 0.474 295 H N -2.881 116.274 119.070 0.142 0.000 2.894 295 H HA 0.775 5.329 4.556 -0.003 0.000 0.367 295 H C -1.432 173.969 175.328 0.122 0.000 1.144 295 H CA -1.127 55.021 56.048 0.167 0.000 1.180 295 H CB 1.432 31.305 29.762 0.185 0.000 1.758 295 H HN -0.027 nan 8.280 nan 0.000 0.541 296 V N 2.977 123.013 119.914 0.203 0.000 2.623 296 V HA 0.468 4.586 4.120 -0.003 0.000 0.304 296 V C -1.062 175.066 176.094 0.056 0.000 1.054 296 V CA -0.555 61.766 62.300 0.034 0.000 0.882 296 V CB 1.404 33.273 31.823 0.077 0.000 1.002 296 V HN 1.180 nan 8.190 nan 0.000 0.424 297 H N 2.401 121.529 119.070 0.096 0.000 2.990 297 H HA 0.645 5.199 4.556 -0.003 0.000 0.343 297 H C -0.973 174.423 175.328 0.113 0.000 1.270 297 H CA -1.025 55.084 56.048 0.101 0.000 1.118 297 H CB 0.893 30.707 29.762 0.087 0.000 1.861 297 H HN 0.425 nan 8.280 nan 0.000 0.544 298 F N 1.831 121.894 119.950 0.189 0.000 2.553 298 F HA 0.275 4.800 4.527 -0.004 0.000 0.356 298 F C -1.913 173.985 175.800 0.163 0.000 1.142 298 F CA -2.163 55.911 58.000 0.124 0.000 1.322 298 F CB 0.799 39.854 39.000 0.093 0.000 1.126 298 F HN 0.418 nan 8.300 nan 0.000 0.599 299 P HA 0.172 nan 4.420 nan 0.000 0.237 299 P C -0.987 176.310 177.300 -0.005 0.000 1.788 299 P CA 0.253 63.205 63.100 -0.247 0.000 1.061 299 P CB -0.065 31.326 31.700 -0.515 0.000 1.967 300 I N 0.288 120.998 120.570 0.235 0.000 2.410 300 I HA 0.591 4.759 4.170 -0.003 0.000 0.286 300 I C 0.940 177.129 176.117 0.121 0.000 1.009 300 I CA -0.004 61.433 61.300 0.228 0.000 1.111 300 I CB 0.854 39.026 38.000 0.285 0.000 1.262 300 I HN 0.423 nan 8.210 nan 0.000 0.443 301 G N 4.486 113.350 108.800 0.106 0.000 2.157 301 G HA2 -0.083 3.876 3.960 -0.003 0.000 0.248 301 G HA3 -0.083 3.876 3.960 -0.003 0.000 0.248 301 G C 0.988 176.016 174.900 0.212 0.000 0.979 301 G CA 0.014 45.191 45.100 0.127 0.000 0.650 301 G HN 2.013 nan 8.290 nan 0.000 0.529 302 G N -0.563 108.333 108.800 0.160 0.000 2.372 302 G HA2 -0.135 3.823 3.960 -0.003 0.000 0.290 302 G HA3 -0.135 3.823 3.960 -0.003 0.000 0.290 302 G C 0.573 175.588 174.900 0.192 0.000 0.965 302 G CA 1.179 46.365 45.100 0.142 0.000 1.263 302 G HN 1.131 nan 8.290 nan 0.000 0.498 303 Q N -0.684 119.207 119.800 0.151 0.000 2.217 303 Q HA 0.280 4.619 4.340 -0.003 0.000 0.217 303 Q C 2.512 178.594 176.000 0.137 0.000 0.844 303 Q CA 0.296 56.162 55.803 0.105 0.000 0.957 303 Q CB 0.643 29.361 28.738 -0.034 0.000 1.127 303 Q HN 0.548 nan 8.270 nan 0.000 0.503 304 G N 1.817 110.766 108.800 0.249 0.000 2.524 304 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.215 304 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.215 304 G C 1.258 176.271 174.900 0.188 0.000 1.239 304 G CA 0.431 45.712 45.100 0.302 0.000 0.798 304 G HN 0.290 nan 8.290 nan 0.000 0.557 305 L N 0.353 121.632 121.223 0.094 0.000 2.141 305 L HA -0.053 4.285 4.340 -0.003 0.000 0.209 305 L C 2.665 179.576 176.870 0.070 0.000 1.094 305 L CA 1.037 55.918 54.840 0.068 0.000 0.763 305 L CB -0.314 41.756 42.059 0.019 0.000 0.908 305 L HN 0.113 nan 8.230 nan 0.000 0.437 306 N N -0.332 118.399 118.700 0.052 0.000 2.036 306 N HA -0.195 4.544 4.740 -0.003 0.000 0.195 306 N C 1.706 177.249 175.510 0.055 0.000 1.037 306 N CA 2.236 55.306 53.050 0.034 0.000 0.855 306 N CB -0.755 37.764 38.487 0.053 0.000 1.033 306 N HN 0.331 nan 8.380 nan 0.000 0.423 307 T N -0.101 114.496 114.554 0.072 0.000 2.788 307 T HA -0.067 4.282 4.350 -0.003 0.000 0.268 307 T C 1.856 176.668 174.700 0.187 0.000 1.044 307 T CA 1.334 63.469 62.100 0.058 0.000 1.139 307 T CB -0.734 68.082 68.868 -0.086 0.000 0.867 307 T HN 0.405 nan 8.240 nan 0.000 0.454 308 G N 1.716 110.668 108.800 0.254 0.000 2.453 308 G HA2 -0.130 3.829 3.960 -0.003 0.000 0.215 308 G HA3 -0.130 3.829 3.960 -0.003 0.000 0.215 308 G C 1.475 176.484 174.900 0.181 0.000 1.201 308 G CA 0.477 45.732 45.100 0.258 0.000 0.784 308 G HN 0.428 nan 8.290 nan 0.000 0.545 309 L N 0.099 121.393 121.223 0.119 0.000 2.043 309 L HA -0.233 4.106 4.340 -0.003 0.000 0.212 309 L C 3.199 180.138 176.870 0.115 0.000 1.075 309 L CA 1.707 56.601 54.840 0.090 0.000 0.752 309 L CB -0.585 41.494 42.059 0.033 0.000 0.891 309 L HN 0.352 nan 8.230 nan 0.000 0.432 310 Q N -0.516 119.354 119.800 0.116 0.000 2.124 310 Q HA -0.207 4.132 4.340 -0.003 0.000 0.202 310 Q C 1.831 177.961 176.000 0.217 0.000 0.977 310 Q CA 1.370 57.263 55.803 0.150 0.000 0.850 310 Q CB -0.097 28.707 28.738 0.111 0.000 0.901 310 Q HN 0.467 nan 8.270 nan 0.000 0.429 311 D N 0.566 121.113 120.400 0.245 0.000 2.104 311 D HA -0.162 4.476 4.640 -0.003 0.000 0.194 311 D C 1.817 178.330 176.300 0.356 0.000 0.994 311 D CA 1.472 55.685 54.000 0.355 0.000 0.830 311 D CB -0.237 40.825 40.800 0.437 0.000 0.959 311 D HN 0.265 nan 8.370 nan 0.000 0.452 312 A N 0.514 123.475 122.820 0.236 0.000 1.865 312 A HA -0.170 4.148 4.320 -0.003 0.000 0.217 312 A C 2.570 180.249 177.584 0.157 0.000 1.191 312 A CA 1.574 53.705 52.037 0.155 0.000 0.623 312 A CB -0.889 18.181 19.000 0.118 0.000 0.826 312 A HN 0.165 nan 8.150 nan 0.000 0.444 313 V N 1.281 121.313 119.914 0.197 0.000 2.407 313 V HA -0.234 3.884 4.120 -0.003 0.000 0.248 313 V C 2.507 178.830 176.094 0.382 0.000 1.055 313 V CA 2.071 64.525 62.300 0.257 0.000 1.049 313 V CB -0.938 31.026 31.823 0.235 0.000 0.662 313 V HN 0.742 nan 8.190 nan 0.000 0.455 314 N N 0.066 118.974 118.700 0.347 0.000 2.244 314 N HA -0.134 4.604 4.740 -0.003 0.000 0.183 314 N C 1.763 177.331 175.510 0.097 0.000 1.016 314 N CA 1.421 54.683 53.050 0.353 0.000 0.866 314 N CB 0.056 38.709 38.487 0.276 0.000 0.980 314 N HN 0.439 nan 8.380 nan 0.000 0.430 315 L N 0.746 121.981 121.223 0.021 0.000 2.145 315 L HA 0.259 4.597 4.340 -0.003 0.000 0.201 315 L C 2.250 178.944 176.870 -0.294 0.000 1.075 315 L CA 1.613 56.246 54.840 -0.344 0.000 0.773 315 L CB -1.248 40.404 42.059 -0.678 0.000 0.936 315 L HN 0.122 nan 8.230 nan 0.000 0.451 316 G N 0.744 109.492 108.800 -0.086 0.000 2.766 316 G HA2 -0.384 3.574 3.960 -0.003 0.000 0.222 316 G HA3 -0.384 3.574 3.960 -0.003 0.000 0.222 316 G C 1.422 176.334 174.900 0.020 0.000 1.225 316 G CA 1.577 46.678 45.100 0.001 0.000 0.784 316 G HN 0.710 nan 8.290 nan 0.000 0.631 317 W N 1.174 122.506 121.300 0.054 0.000 2.402 317 W HA 0.098 4.756 4.660 -0.003 0.000 0.286 317 W C 1.996 178.556 176.519 0.068 0.000 1.221 317 W CA 1.137 58.541 57.345 0.099 0.000 1.257 317 W CB -0.627 28.933 29.460 0.167 0.000 1.120 317 W HN 0.247 nan 8.180 nan 0.000 0.551 318 K N 0.504 120.356 120.400 -0.913 0.000 2.057 318 K HA -0.157 4.161 4.320 -0.003 0.000 0.206 318 K C 2.197 178.494 176.600 -0.505 0.000 1.050 318 K CA 1.494 57.240 56.287 -0.902 0.000 0.935 318 K CB -0.439 31.482 32.500 -0.966 0.000 0.715 318 K HN 0.022 nan 8.250 nan 0.000 0.439 319 L N 1.104 122.063 121.223 -0.441 0.000 2.023 319 L HA -0.019 4.320 4.340 -0.003 0.000 0.205 319 L C 2.222 178.882 176.870 -0.350 0.000 1.073 319 L CA 1.658 56.240 54.840 -0.430 0.000 0.745 319 L CB -0.814 41.005 42.059 -0.401 0.000 0.900 319 L HN 0.114 nan 8.230 nan 0.000 0.435 320 A N -0.418 122.264 122.820 -0.230 0.000 1.958 320 A HA -0.241 4.077 4.320 -0.003 0.000 0.221 320 A C 2.421 179.788 177.584 -0.362 0.000 1.178 320 A CA 2.184 54.117 52.037 -0.173 0.000 0.642 320 A CB -1.169 17.819 19.000 -0.020 0.000 0.816 320 A HN 0.589 nan 8.150 nan 0.000 0.453 321 A N -0.270 122.241 122.820 -0.515 0.000 1.855 321 A HA -0.104 4.215 4.320 -0.003 0.000 0.215 321 A C 2.151 179.235 177.584 -0.834 0.000 1.191 321 A CA 2.082 53.423 52.037 -1.160 0.000 0.613 321 A CB -0.492 17.962 19.000 -0.910 0.000 0.829 321 A HN 0.484 nan 8.150 nan 0.000 0.442 322 R N 0.103 120.302 120.500 -0.502 0.000 2.103 322 R HA -0.132 4.206 4.340 -0.003 0.000 0.242 322 R C 1.786 177.963 176.300 -0.207 0.000 1.142 322 R CA 2.320 58.228 56.100 -0.320 0.000 0.960 322 R CB -1.306 28.786 30.300 -0.347 0.000 0.858 322 R HN 0.264 nan 8.270 nan 0.000 0.439 323 V N 0.981 120.771 119.914 -0.208 0.000 2.261 323 V HA -0.205 3.913 4.120 -0.003 0.000 0.246 323 V C 2.323 178.370 176.094 -0.079 0.000 1.047 323 V CA 2.321 64.580 62.300 -0.068 0.000 1.015 323 V CB -0.465 31.331 31.823 -0.043 0.000 0.642 323 V HN 0.380 nan 8.190 nan 0.000 0.446 324 R N -0.331 120.066 120.500 -0.172 0.000 2.285 324 R HA 0.070 4.409 4.340 -0.003 0.000 0.213 324 R C 1.724 178.037 176.300 0.021 0.000 1.068 324 R CA 0.958 57.020 56.100 -0.063 0.000 1.004 324 R CB -0.090 30.189 30.300 -0.035 0.000 0.873 324 R HN 0.669 nan 8.270 nan 0.000 0.467 325 G N 0.350 109.115 108.800 -0.057 0.000 2.909 325 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.198 325 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.198 325 G C 0.700 175.674 174.900 0.123 0.000 1.124 325 G CA 0.018 45.158 45.100 0.067 0.000 0.796 325 G HN 0.472 nan 8.290 nan 0.000 0.489 326 W N 2.321 123.700 121.300 0.133 0.000 2.402 326 W HA 0.451 5.110 4.660 -0.003 0.000 0.286 326 W C 1.272 177.900 176.519 0.181 0.000 1.221 326 W CA 0.757 58.211 57.345 0.181 0.000 1.257 326 W CB -0.658 28.950 29.460 0.246 0.000 1.120 326 W HN 0.707 nan 8.180 nan 0.000 0.551 327 G N 2.670 111.248 108.800 -0.371 0.000 2.327 327 G HA2 0.271 4.229 3.960 -0.003 0.000 0.278 327 G HA3 0.271 4.229 3.960 -0.003 0.000 0.278 327 G C 0.333 175.191 174.900 -0.071 0.000 1.145 327 G CA 0.166 45.118 45.100 -0.246 0.000 1.097 327 G HN 0.385 nan 8.290 nan 0.000 0.430 328 S N 2.143 117.861 115.700 0.030 0.000 2.634 328 S HA 0.219 4.687 4.470 -0.003 0.000 0.261 328 S C 1.112 175.703 174.600 -0.015 0.000 1.271 328 S CA -0.420 57.798 58.200 0.030 0.000 0.985 328 S CB 1.527 64.765 63.200 0.065 0.000 0.968 328 S HN 0.529 nan 8.310 nan 0.000 0.568 329 E N 0.655 120.851 120.200 -0.006 0.000 2.072 329 E HA -0.137 4.212 4.350 -0.003 0.000 0.190 329 E C 1.941 178.528 176.600 -0.023 0.000 0.982 329 E CA 1.202 57.593 56.400 -0.015 0.000 0.803 329 E CB -0.490 29.207 29.700 -0.003 0.000 0.755 329 E HN 0.912 nan 8.360 nan 0.000 0.453 330 E N 0.741 120.927 120.200 -0.024 0.000 2.097 330 E HA -0.218 4.130 4.350 -0.003 0.000 0.196 330 E C 2.242 178.869 176.600 0.044 0.000 1.000 330 E CA 0.914 57.297 56.400 -0.029 0.000 0.804 330 E CB -0.085 29.547 29.700 -0.112 0.000 0.740 330 E HN 0.075 nan 8.360 nan 0.000 0.454 331 L N 0.666 121.918 121.223 0.048 0.000 2.042 331 L HA -0.169 4.170 4.340 -0.003 0.000 0.210 331 L C 2.323 179.137 176.870 -0.093 0.000 1.076 331 L CA 1.435 56.267 54.840 -0.012 0.000 0.749 331 L CB -0.505 41.528 42.059 -0.044 0.000 0.893 331 L HN 0.269 nan 8.230 nan 0.000 0.432 332 L N -0.551 120.610 121.223 -0.104 0.000 2.141 332 L HA -0.151 4.187 4.340 -0.003 0.000 0.209 332 L C 1.906 178.762 176.870 -0.023 0.000 1.094 332 L CA 1.633 56.397 54.840 -0.126 0.000 0.763 332 L CB -0.885 41.075 42.059 -0.166 0.000 0.908 332 L HN 0.304 nan 8.230 nan 0.000 0.437 333 D N -1.088 119.309 120.400 -0.005 0.000 2.218 333 D HA -0.167 4.472 4.640 -0.003 0.000 0.204 333 D C 2.186 178.514 176.300 0.047 0.000 0.976 333 D CA 1.612 55.625 54.000 0.022 0.000 0.853 333 D CB -0.250 40.546 40.800 -0.006 0.000 0.939 333 D HN 0.533 nan 8.370 nan 0.000 0.481 334 T N -1.906 112.664 114.554 0.026 0.000 2.995 334 T HA -0.205 4.143 4.350 -0.003 0.000 0.269 334 T C 1.998 176.660 174.700 -0.063 0.000 1.091 334 T CA 0.528 62.624 62.100 -0.007 0.000 1.128 334 T CB -0.567 68.279 68.868 -0.037 0.000 0.891 334 T HN 0.165 nan 8.240 nan 0.000 0.492 335 Y N 2.167 122.381 120.300 -0.143 0.000 2.081 335 Y HA -0.260 4.288 4.550 -0.003 0.000 0.280 335 Y C 2.459 178.257 175.900 -0.169 0.000 1.163 335 Y CA 2.041 60.042 58.100 -0.165 0.000 1.135 335 Y CB -1.090 37.298 38.460 -0.121 0.000 0.970 335 Y HN 0.561 nan 8.280 nan 0.000 0.498 336 H N -0.593 118.243 119.070 -0.390 0.000 2.326 336 H HA -0.105 4.449 4.556 -0.003 0.000 0.301 336 H C 1.819 176.908 175.328 -0.397 0.000 1.081 336 H CA 1.971 57.693 56.048 -0.543 0.000 1.334 336 H CB -0.384 29.283 29.762 -0.157 0.000 1.385 336 H HN 0.315 nan 8.280 nan 0.000 0.504 337 D N 0.215 120.605 120.400 -0.017 0.000 2.203 337 D HA -0.164 4.474 4.640 -0.003 0.000 0.199 337 D C 1.788 177.987 176.300 -0.169 0.000 0.997 337 D CA 1.681 55.667 54.000 -0.024 0.000 0.863 337 D CB -0.081 40.736 40.800 0.029 0.000 0.928 337 D HN 0.684 nan 8.370 nan 0.000 0.458 338 E N -0.719 119.309 120.200 -0.287 0.000 2.162 338 E HA 0.076 4.424 4.350 -0.003 0.000 0.193 338 E C 2.018 178.440 176.600 -0.296 0.000 0.953 338 E CA 0.092 56.314 56.400 -0.298 0.000 0.849 338 E CB 0.347 29.655 29.700 -0.655 0.000 0.810 338 E HN -0.005 nan 8.360 nan 0.000 0.470 339 R N 0.101 120.283 120.500 -0.531 0.000 2.200 339 R HA 0.012 4.350 4.340 -0.003 0.000 0.208 339 R C 1.879 177.829 176.300 -0.585 0.000 1.033 339 R CA 0.801 56.581 56.100 -0.534 0.000 1.000 339 R CB -0.625 29.241 30.300 -0.725 0.000 0.906 339 R HN 0.286 nan 8.270 nan 0.000 0.462 340 H N 1.523 120.047 119.070 -0.910 0.000 2.299 340 H HA -0.013 4.542 4.556 -0.003 0.000 0.302 340 H C -0.871 174.296 175.328 -0.269 0.000 1.078 340 H CA 1.625 57.302 56.048 -0.619 0.000 1.323 340 H CB -0.769 28.481 29.762 -0.854 0.000 1.381 340 H HN 0.016 nan 8.280 nan 0.000 0.498 341 P HA -0.171 nan 4.420 nan 0.000 0.217 341 P C 1.614 178.820 177.300 -0.156 0.000 1.148 341 P CA 1.245 64.266 63.100 -0.132 0.000 0.828 341 P CB 0.055 31.714 31.700 -0.069 0.000 0.783 342 V N 0.029 119.845 119.914 -0.163 0.000 2.307 342 V HA -0.219 3.900 4.120 -0.003 0.000 0.245 342 V C 2.452 178.437 176.094 -0.182 0.000 1.045 342 V CA 2.291 64.503 62.300 -0.146 0.000 1.024 342 V CB -1.617 30.137 31.823 -0.113 0.000 0.651 342 V HN 0.100 nan 8.190 nan 0.000 0.449 343 A N -0.204 122.489 122.820 -0.212 0.000 1.930 343 A HA -0.156 4.162 4.320 -0.003 0.000 0.217 343 A C 2.321 179.791 177.584 -0.191 0.000 1.175 343 A CA 2.078 53.969 52.037 -0.243 0.000 0.627 343 A CB -0.809 18.069 19.000 -0.204 0.000 0.815 343 A HN 0.611 nan 8.150 nan 0.000 0.443 344 E N 0.455 120.517 120.200 -0.230 0.000 2.065 344 E HA -0.336 4.012 4.350 -0.003 0.000 0.201 344 E C 2.145 178.674 176.600 -0.119 0.000 1.016 344 E CA 2.255 58.547 56.400 -0.180 0.000 0.818 344 E CB -0.807 28.779 29.700 -0.191 0.000 0.749 344 E HN 0.799 nan 8.360 nan 0.000 0.453 345 R N -0.271 120.155 120.500 -0.124 0.000 2.096 345 R HA -0.062 4.276 4.340 -0.003 0.000 0.235 345 R C 2.497 178.733 176.300 -0.107 0.000 1.127 345 R CA 1.548 57.589 56.100 -0.098 0.000 0.968 345 R CB -0.614 29.624 30.300 -0.104 0.000 0.861 345 R HN 0.320 nan 8.270 nan 0.000 0.440 346 V N 1.877 121.698 119.914 -0.156 0.000 2.252 346 V HA -0.302 3.816 4.120 -0.003 0.000 0.249 346 V C 2.487 178.466 176.094 -0.191 0.000 1.056 346 V CA 2.092 64.266 62.300 -0.211 0.000 1.022 346 V CB -0.537 31.089 31.823 -0.328 0.000 0.641 346 V HN 0.369 nan 8.190 nan 0.000 0.445 347 L N -1.037 120.107 121.223 -0.132 0.000 2.043 347 L HA -0.244 4.095 4.340 -0.003 0.000 0.212 347 L C 2.488 179.347 176.870 -0.018 0.000 1.075 347 L CA 1.403 56.224 54.840 -0.032 0.000 0.752 347 L CB -0.767 41.300 42.059 0.012 0.000 0.891 347 L HN 0.318 nan 8.230 nan 0.000 0.432 348 L N 0.601 121.807 121.223 -0.030 0.000 2.056 348 L HA -0.180 4.159 4.340 -0.003 0.000 0.207 348 L C 2.401 179.278 176.870 0.012 0.000 1.078 348 L CA 1.972 56.809 54.840 -0.005 0.000 0.749 348 L CB -1.040 41.016 42.059 -0.006 0.000 0.901 348 L HN 0.479 nan 8.230 nan 0.000 0.433 349 N N -0.993 117.711 118.700 0.007 0.000 2.166 349 N HA -0.209 4.529 4.740 -0.003 0.000 0.186 349 N C 1.631 177.158 175.510 0.029 0.000 1.019 349 N CA 2.104 55.187 53.050 0.055 0.000 0.856 349 N CB -0.968 37.559 38.487 0.067 0.000 0.993 349 N HN 0.467 nan 8.380 nan 0.000 0.426 350 T N -2.082 112.468 114.554 -0.007 0.000 2.821 350 T HA -0.008 4.341 4.350 -0.003 0.000 0.267 350 T C 1.907 176.603 174.700 -0.007 0.000 1.046 350 T CA 0.809 62.914 62.100 0.009 0.000 1.139 350 T CB -0.329 68.576 68.868 0.061 0.000 0.871 350 T HN 0.185 nan 8.240 nan 0.000 0.454 351 R N 1.229 121.730 120.500 0.002 0.000 2.092 351 R HA 0.238 4.576 4.340 -0.003 0.000 0.231 351 R C 2.941 179.223 176.300 -0.029 0.000 1.119 351 R CA 1.174 57.265 56.100 -0.016 0.000 0.970 351 R CB -0.537 29.765 30.300 0.003 0.000 0.864 351 R HN 0.527 nan 8.270 nan 0.000 0.440 352 A N 0.646 123.465 122.820 -0.002 0.000 1.929 352 A HA -0.161 4.157 4.320 -0.003 0.000 0.216 352 A C 2.033 179.596 177.584 -0.034 0.000 1.176 352 A CA 0.867 52.912 52.037 0.012 0.000 0.628 352 A CB -0.280 18.767 19.000 0.079 0.000 0.816 352 A HN 0.268 nan 8.150 nan 0.000 0.444 353 Q N -0.411 119.343 119.800 -0.076 0.000 2.096 353 Q HA -0.120 4.218 4.340 -0.003 0.000 0.204 353 Q C 1.957 177.836 176.000 -0.203 0.000 0.982 353 Q CA 1.531 57.206 55.803 -0.214 0.000 0.850 353 Q CB -0.269 28.315 28.738 -0.256 0.000 0.901 353 Q HN 0.695 nan 8.270 nan 0.000 0.422 354 L N -0.340 120.778 121.223 -0.175 0.000 2.083 354 L HA -0.193 4.145 4.340 -0.003 0.000 0.209 354 L C 2.422 179.207 176.870 -0.141 0.000 1.083 354 L CA 0.897 55.611 54.840 -0.209 0.000 0.752 354 L CB -0.522 41.375 42.059 -0.269 0.000 0.899 354 L HN 0.275 nan 8.230 nan 0.000 0.433 355 A N -0.143 122.619 122.820 -0.097 0.000 1.933 355 A HA -0.166 4.152 4.320 -0.003 0.000 0.218 355 A C 2.224 179.775 177.584 -0.054 0.000 1.175 355 A CA 1.341 53.343 52.037 -0.058 0.000 0.628 355 A CB -0.583 18.399 19.000 -0.030 0.000 0.814 355 A HN 0.372 nan 8.150 nan 0.000 0.444 356 L N -1.089 120.088 121.223 -0.078 0.000 2.217 356 L HA 0.016 4.354 4.340 -0.003 0.000 0.211 356 L C 1.284 178.099 176.870 -0.092 0.000 1.107 356 L CA 0.584 55.376 54.840 -0.079 0.000 0.783 356 L CB -0.284 41.700 42.059 -0.126 0.000 0.919 356 L HN 0.423 nan 8.230 nan 0.000 0.442 357 M N 0.769 120.299 119.600 -0.117 0.000 3.607 357 M HA 0.147 4.626 4.480 -0.003 0.000 0.206 357 M C -0.035 176.228 176.300 -0.061 0.000 1.314 357 M CA 0.103 55.343 55.300 -0.100 0.000 1.526 357 M CB -0.302 32.221 32.600 -0.127 0.000 1.101 357 M HN 0.205 nan 8.290 nan 0.000 0.539 358 R N -1.689 118.789 120.500 -0.036 0.000 4.005 358 R HA -0.174 4.165 4.340 -0.003 0.000 0.382 358 R C -2.388 173.903 176.300 -0.015 0.000 0.241 358 R CA -0.025 56.067 56.100 -0.013 0.000 1.232 358 R CB -2.417 27.878 30.300 -0.007 0.000 1.072 358 R HN 0.138 nan 8.270 nan 0.000 0.528 359 P HA 0.187 nan 4.420 nan 0.000 0.220 359 P C -1.110 176.195 177.300 0.008 0.000 1.793 359 P CA 0.160 63.263 63.100 0.005 0.000 0.917 359 P CB -0.065 31.642 31.700 0.011 0.000 1.755 360 D N 0.316 120.724 120.400 0.012 0.000 2.349 360 D HA 0.078 4.717 4.640 -0.003 0.000 0.232 360 D C 0.877 177.175 176.300 -0.003 0.000 1.071 360 D CA -0.334 53.674 54.000 0.013 0.000 0.832 360 D CB 1.065 41.894 40.800 0.049 0.000 1.086 360 D HN -0.127 nan 8.370 nan 0.000 0.504 361 E N 2.591 122.776 120.200 -0.025 0.000 2.435 361 E HA -0.107 4.242 4.350 -0.003 0.000 0.195 361 E C 1.037 177.592 176.600 -0.074 0.000 1.029 361 E CA 0.342 56.721 56.400 -0.035 0.000 0.865 361 E CB 0.393 30.075 29.700 -0.030 0.000 0.833 361 E HN 0.666 nan 8.360 nan 0.000 0.510 362 Q N -0.602 119.110 119.800 -0.145 0.000 2.297 362 Q HA -0.048 4.290 4.340 -0.003 0.000 0.203 362 Q C 1.333 177.065 176.000 -0.446 0.000 0.931 362 Q CA 0.844 56.456 55.803 -0.319 0.000 0.885 362 Q CB 0.433 28.906 28.738 -0.441 0.000 0.991 362 Q HN 0.269 nan 8.270 nan 0.000 0.498 363 H N -2.522 116.561 119.070 0.022 0.000 2.824 363 H HA 0.222 4.776 4.556 -0.003 0.000 0.238 363 H C 1.495 176.847 175.328 0.039 0.000 0.931 363 H CA 0.958 57.025 56.048 0.032 0.000 1.090 363 H CB 0.445 30.220 29.762 0.022 0.000 1.433 363 H HN 0.115 nan 8.280 nan 0.000 0.437 364 T N 0.704 115.340 114.554 0.136 0.000 2.896 364 T HA -0.064 4.285 4.350 -0.003 0.000 0.263 364 T C 1.986 176.722 174.700 0.061 0.000 1.050 364 T CA 1.623 63.775 62.100 0.087 0.000 1.140 364 T CB -0.064 68.837 68.868 0.054 0.000 0.877 364 T HN 0.282 nan 8.240 nan 0.000 0.457 365 T N 2.563 117.140 114.554 0.039 0.000 2.622 365 T HA -0.076 4.272 4.350 -0.003 0.000 0.266 365 T C -0.553 174.168 174.700 0.034 0.000 1.047 365 T CA 1.257 63.370 62.100 0.022 0.000 1.159 365 T CB -1.273 67.596 68.868 0.002 0.000 0.863 365 T HN 0.298 nan 8.240 nan 0.000 0.422 366 P HA -0.102 nan 4.420 nan 0.000 0.216 366 P C 1.647 179.072 177.300 0.207 0.000 1.154 366 P CA 0.811 63.969 63.100 0.097 0.000 0.865 366 P CB -0.203 31.593 31.700 0.160 0.000 0.789 367 L N -0.441 120.912 121.223 0.217 0.000 2.017 367 L HA -0.123 4.216 4.340 -0.003 0.000 0.208 367 L C 2.389 179.372 176.870 0.189 0.000 1.073 367 L CA 1.830 56.820 54.840 0.249 0.000 0.745 367 L CB -0.874 41.270 42.059 0.143 0.000 0.894 367 L HN -0.216 nan 8.230 nan 0.000 0.432 368 R N -0.441 120.116 120.500 0.095 0.000 2.117 368 R HA -0.148 4.190 4.340 -0.003 0.000 0.243 368 R C 2.205 178.522 176.300 0.029 0.000 1.143 368 R CA 1.180 57.308 56.100 0.047 0.000 0.968 368 R CB -1.069 29.239 30.300 0.014 0.000 0.863 368 R HN 0.618 nan 8.270 nan 0.000 0.444 369 G N 0.886 109.676 108.800 -0.018 0.000 2.545 369 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.217 369 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.217 369 G C 1.087 175.914 174.900 -0.123 0.000 1.218 369 G CA 0.883 45.904 45.100 -0.131 0.000 0.787 369 G HN 0.181 nan 8.290 nan 0.000 0.571 370 F N 0.521 120.478 119.950 0.012 0.000 2.126 370 F HA -0.092 4.433 4.527 -0.003 0.000 0.299 370 F C 2.909 178.717 175.800 0.013 0.000 1.096 370 F CA 0.938 58.946 58.000 0.013 0.000 1.255 370 F CB -0.745 38.263 39.000 0.015 0.000 0.997 370 F HN -0.013 nan 8.300 nan 0.000 0.479 371 V N -0.119 119.913 119.914 0.195 0.000 2.427 371 V HA -0.260 3.858 4.120 -0.003 0.000 0.248 371 V C 2.411 178.539 176.094 0.056 0.000 1.051 371 V CA 2.071 64.437 62.300 0.109 0.000 1.048 371 V CB -0.512 31.356 31.823 0.076 0.000 0.666 371 V HN 0.387 nan 8.190 nan 0.000 0.456 372 E N 0.255 120.477 120.200 0.037 0.000 2.110 372 E HA -0.297 4.051 4.350 -0.003 0.000 0.193 372 E C 2.219 178.830 176.600 0.018 0.000 0.988 372 E CA 1.647 58.055 56.400 0.014 0.000 0.804 372 E CB -0.029 29.671 29.700 0.001 0.000 0.745 372 E HN 0.752 nan 8.360 nan 0.000 0.458 373 E N 0.286 120.502 120.200 0.027 0.000 2.110 373 E HA -0.174 4.174 4.350 -0.003 0.000 0.193 373 E C 2.243 178.874 176.600 0.051 0.000 0.988 373 E CA 0.932 57.352 56.400 0.033 0.000 0.804 373 E CB -0.021 29.704 29.700 0.042 0.000 0.745 373 E HN 0.327 nan 8.360 nan 0.000 0.458 374 L N 0.350 121.616 121.223 0.071 0.000 2.240 374 L HA -0.067 4.271 4.340 -0.003 0.000 0.211 374 L C 2.224 179.133 176.870 0.064 0.000 1.106 374 L CA 0.311 55.194 54.840 0.072 0.000 0.793 374 L CB -0.118 41.999 42.059 0.097 0.000 0.927 374 L HN 0.216 nan 8.230 nan 0.000 0.446 375 L N -0.323 120.925 121.223 0.041 0.000 2.551 375 L HA -0.031 4.307 4.340 -0.003 0.000 0.228 375 L C 2.401 179.283 176.870 0.019 0.000 1.153 375 L CA 0.606 55.458 54.840 0.020 0.000 0.851 375 L CB -0.611 41.427 42.059 -0.035 0.000 0.959 375 L HN 0.252 nan 8.230 nan 0.000 0.451 376 G N -0.977 107.836 108.800 0.023 0.000 2.430 376 G HA2 -0.099 3.859 3.960 -0.003 0.000 0.216 376 G HA3 -0.099 3.859 3.960 -0.003 0.000 0.216 376 G C 0.783 175.696 174.900 0.020 0.000 1.146 376 G CA 0.039 45.149 45.100 0.018 0.000 0.793 376 G HN 0.238 nan 8.290 nan 0.000 0.537 377 T N 1.848 116.418 114.554 0.026 0.000 2.902 377 T HA 0.120 4.469 4.350 -0.003 0.000 0.301 377 T C 0.811 175.525 174.700 0.024 0.000 1.012 377 T CA -0.044 62.069 62.100 0.022 0.000 1.151 377 T CB 1.264 70.144 68.868 0.021 0.000 0.946 377 T HN 0.013 nan 8.240 nan 0.000 0.542 378 D N 3.059 123.469 120.400 0.016 0.000 2.097 378 D HA -0.038 4.600 4.640 -0.003 0.000 0.197 378 D C 2.497 178.808 176.300 0.018 0.000 0.984 378 D CA 1.637 55.647 54.000 0.018 0.000 0.826 378 D CB -0.385 40.423 40.800 0.012 0.000 0.973 378 D HN 0.815 nan 8.370 nan 0.000 0.460 379 E N 0.670 120.873 120.200 0.005 0.000 2.049 379 E HA -0.200 4.148 4.350 -0.003 0.000 0.198 379 E C 2.351 178.952 176.600 0.001 0.000 1.007 379 E CA 1.746 58.143 56.400 -0.006 0.000 0.809 379 E CB -1.085 28.598 29.700 -0.028 0.000 0.749 379 E HN 0.182 nan 8.360 nan 0.000 0.450 380 V N 1.873 121.790 119.914 0.006 0.000 2.379 380 V HA -0.218 3.901 4.120 -0.003 0.000 0.245 380 V C 2.491 178.675 176.094 0.149 0.000 1.044 380 V CA 1.704 64.023 62.300 0.032 0.000 1.036 380 V CB -0.481 31.383 31.823 0.068 0.000 0.664 380 V HN 0.640 nan 8.190 nan 0.000 0.453 381 N N 0.714 119.480 118.700 0.110 0.000 2.120 381 N HA -0.219 4.520 4.740 -0.003 0.000 0.188 381 N C 2.096 177.653 175.510 0.079 0.000 1.024 381 N CA 1.706 54.814 53.050 0.097 0.000 0.852 381 N CB -0.172 38.342 38.487 0.045 0.000 1.003 381 N HN 0.422 nan 8.380 nan 0.000 0.424 382 R N -0.695 119.839 120.500 0.057 0.000 2.096 382 R HA -0.187 4.151 4.340 -0.003 0.000 0.235 382 R C 2.241 178.543 176.300 0.004 0.000 1.127 382 R CA 1.270 57.389 56.100 0.032 0.000 0.968 382 R CB -0.475 29.836 30.300 0.019 0.000 0.861 382 R HN 0.335 nan 8.270 nan 0.000 0.440 383 Y N 0.291 120.501 120.300 -0.150 0.000 2.049 383 Y HA -0.287 4.262 4.550 -0.003 0.000 0.277 383 Y C 1.732 177.437 175.900 -0.324 0.000 1.143 383 Y CA 2.200 60.127 58.100 -0.288 0.000 1.115 383 Y CB -0.585 37.606 38.460 -0.448 0.000 0.975 383 Y HN -0.010 nan 8.280 nan 0.000 0.487 384 F N -0.044 119.840 119.950 -0.110 0.000 2.216 384 F HA -0.190 4.336 4.527 -0.002 0.000 0.300 384 F C 2.498 178.133 175.800 -0.275 0.000 1.085 384 F CA 1.804 59.607 58.000 -0.330 0.000 1.326 384 F CB -1.158 37.474 39.000 -0.615 0.000 1.027 384 F HN 0.023 nan 8.300 nan 0.000 0.497 385 T N -0.586 113.961 114.554 -0.011 0.000 2.746 385 T HA -0.135 4.214 4.350 -0.003 0.000 0.267 385 T C 2.399 177.055 174.700 -0.073 0.000 1.039 385 T CA 1.468 63.582 62.100 0.023 0.000 1.142 385 T CB -0.974 67.954 68.868 0.100 0.000 0.866 385 T HN 0.440 nan 8.240 nan 0.000 0.444 386 G N 1.153 109.868 108.800 -0.142 0.000 2.402 386 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.216 386 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.216 386 G C 1.567 176.324 174.900 -0.237 0.000 1.162 386 G CA 0.879 45.863 45.100 -0.194 0.000 0.777 386 G HN 0.451 nan 8.290 nan 0.000 0.539 387 M N 0.143 119.558 119.600 -0.308 0.000 2.065 387 M HA -0.076 4.403 4.480 -0.003 0.000 0.259 387 M C 2.347 178.545 176.300 -0.169 0.000 1.069 387 M CA 1.582 56.716 55.300 -0.278 0.000 1.110 387 M CB -0.208 32.188 32.600 -0.340 0.000 1.328 387 M HN 0.112 nan 8.290 nan 0.000 0.405 388 I N 0.691 121.188 120.570 -0.122 0.000 2.113 388 I HA -0.226 3.943 4.170 -0.003 0.000 0.238 388 I C 2.684 178.652 176.117 -0.249 0.000 1.070 388 I CA 2.240 63.460 61.300 -0.132 0.000 1.332 388 I CB -2.057 35.886 38.000 -0.096 0.000 1.044 388 I HN 0.483 nan 8.210 nan 0.000 0.402 389 T N -1.544 112.833 114.554 -0.294 0.000 3.072 389 T HA 0.139 4.488 4.350 -0.003 0.000 0.266 389 T C 1.595 176.169 174.700 -0.210 0.000 1.127 389 T CA 1.013 62.916 62.100 -0.328 0.000 1.107 389 T CB -0.051 68.581 68.868 -0.393 0.000 0.910 389 T HN 0.591 nan 8.240 nan 0.000 0.513 390 G N 0.864 109.548 108.800 -0.194 0.000 2.194 390 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.236 390 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.236 390 G C 1.101 175.880 174.900 -0.202 0.000 0.987 390 G CA 0.737 45.730 45.100 -0.177 0.000 0.635 390 G HN 0.841 nan 8.290 nan 0.000 0.520 391 T N 0.170 114.599 114.554 -0.210 0.000 2.977 391 T HA -0.013 4.335 4.350 -0.003 0.000 0.271 391 T C 1.700 176.299 174.700 -0.168 0.000 1.105 391 T CA 1.850 63.832 62.100 -0.195 0.000 1.116 391 T CB -0.295 68.474 68.868 -0.166 0.000 0.878 391 T HN 0.619 nan 8.240 nan 0.000 0.509 392 D N 2.170 122.464 120.400 -0.178 0.000 2.349 392 D HA -0.014 4.624 4.640 -0.003 0.000 0.224 392 D C 0.890 177.093 176.300 -0.161 0.000 1.029 392 D CA -0.130 53.767 54.000 -0.172 0.000 0.879 392 D CB -0.833 39.839 40.800 -0.213 0.000 0.906 392 D HN 0.501 nan 8.370 nan 0.000 0.528 393 V N -1.281 118.534 119.914 -0.166 0.000 2.508 393 V HA 0.448 4.567 4.120 -0.003 0.000 0.281 393 V C 0.019 175.988 176.094 -0.208 0.000 1.041 393 V CA -0.691 61.492 62.300 -0.195 0.000 1.016 393 V CB 0.389 32.086 31.823 -0.210 0.000 0.984 393 V HN 0.155 nan 8.190 nan 0.000 0.478 394 R N 4.011 124.354 120.500 -0.261 0.000 2.564 394 R HA 0.466 4.804 4.340 -0.003 0.000 0.284 394 R C -1.725 174.445 176.300 -0.217 0.000 1.031 394 R CA -0.664 55.297 56.100 -0.233 0.000 0.904 394 R CB 1.838 32.083 30.300 -0.092 0.000 1.199 394 R HN 0.788 nan 8.270 nan 0.000 0.443 395 Y N 0.920 121.218 120.300 -0.002 0.000 2.316 395 Y HA 0.530 5.078 4.550 -0.003 0.000 0.324 395 Y C 0.582 176.516 175.900 0.058 0.000 1.267 395 Y CA -0.813 57.279 58.100 -0.015 0.000 1.311 395 Y CB 1.672 40.105 38.460 -0.044 0.000 1.267 395 Y HN 0.658 nan 8.280 nan 0.000 0.516 396 A N 1.525 124.493 122.820 0.246 0.000 3.030 396 A HA 0.589 4.908 4.320 -0.003 0.000 0.335 396 A C -0.824 176.883 177.584 0.206 0.000 1.089 396 A CA -0.504 51.647 52.037 0.190 0.000 0.807 396 A CB -0.484 18.589 19.000 0.122 0.000 1.099 396 A HN 0.650 nan 8.150 nan 0.000 0.474 397 T N 0.050 114.770 114.554 0.277 0.000 2.841 397 T HA 0.559 4.907 4.350 -0.003 0.000 0.283 397 T C -0.218 174.753 174.700 0.451 0.000 1.000 397 T CA -0.393 61.891 62.100 0.307 0.000 0.977 397 T CB 0.384 69.356 68.868 0.173 0.000 0.979 397 T HN 0.747 nan 8.240 nan 0.000 0.446 398 F N -0.455 119.483 119.950 -0.020 0.000 3.040 398 F HA -0.149 4.377 4.527 -0.003 0.000 0.298 398 F C 0.902 176.757 175.800 0.091 0.000 0.948 398 F CA -0.377 57.593 58.000 -0.051 0.000 1.022 398 F CB -2.423 36.426 39.000 -0.251 0.000 1.023 398 F HN 0.852 nan 8.300 nan 0.000 0.742 399 A N 0.149 123.110 122.820 0.235 0.000 2.363 399 A HA 0.712 5.030 4.320 -0.003 0.000 0.270 399 A C -0.949 176.712 177.584 0.127 0.000 1.121 399 A CA -0.892 51.258 52.037 0.187 0.000 0.800 399 A CB 0.200 19.286 19.000 0.144 0.000 1.052 399 A HN 0.185 nan 8.150 nan 0.000 0.493 406 P HA 0.389 nan 4.420 nan 0.000 0.274 406 P C -0.499 176.854 177.300 0.090 0.000 1.256 406 P CA -0.645 62.522 63.100 0.111 0.000 0.795 406 P CB 0.359 32.133 31.700 0.124 0.000 1.038 407 H N 0.794 119.860 119.070 -0.007 0.000 2.679 407 H HA 0.063 4.618 4.556 -0.003 0.000 0.369 407 H C -1.543 173.790 175.328 0.009 0.000 1.178 407 H CA -1.288 54.745 56.048 -0.025 0.000 1.419 407 H CB 0.870 30.564 29.762 -0.114 0.000 1.458 407 H HN 0.172 nan 8.280 nan 0.000 0.605 408 P HA -0.074 nan 4.420 nan 0.000 0.231 408 P C 0.355 177.566 177.300 -0.149 0.000 1.158 408 P CA 1.039 64.004 63.100 -0.226 0.000 0.763 408 P CB -0.042 31.466 31.700 -0.320 0.000 0.805 409 W N -1.806 119.566 121.300 0.120 0.000 2.915 409 W HA 0.245 4.903 4.660 -0.003 0.000 0.276 409 W C -1.615 174.940 176.519 0.060 0.000 1.215 409 W CA -0.299 57.102 57.345 0.094 0.000 1.514 409 W CB -1.187 28.334 29.460 0.102 0.000 1.017 409 W HN -0.176 nan 8.180 nan 0.000 0.598 410 P HA 0.012 nan 4.420 nan 0.000 0.257 410 P C 0.858 178.278 177.300 0.200 0.000 1.162 410 P CA 2.634 65.862 63.100 0.213 0.000 0.762 410 P CB 0.113 31.934 31.700 0.202 0.000 0.753 411 G N 2.517 111.467 108.800 0.250 0.000 2.284 411 G HA2 -0.308 3.650 3.960 -0.003 0.000 0.247 411 G HA3 -0.308 3.650 3.960 -0.003 0.000 0.247 411 G C 0.546 175.605 174.900 0.265 0.000 1.012 411 G CA 0.067 45.333 45.100 0.277 0.000 0.618 411 G HN 0.703 nan 8.290 nan 0.000 0.521 412 R N -0.099 120.512 120.500 0.186 0.000 2.738 412 R HA 0.500 4.838 4.340 -0.003 0.000 0.268 412 R C -0.221 176.230 176.300 0.251 0.000 1.062 412 R CA -0.480 55.684 56.100 0.106 0.000 1.158 412 R CB 0.025 30.202 30.300 -0.204 0.000 1.046 412 R HN 0.187 nan 8.270 nan 0.000 0.493 413 F N 2.142 122.062 119.950 -0.049 0.000 2.404 413 F HA 0.427 4.953 4.527 -0.002 0.000 0.345 413 F C 0.088 175.873 175.800 -0.025 0.000 1.110 413 F CA -0.262 57.586 58.000 -0.253 0.000 1.130 413 F CB 1.616 40.332 39.000 -0.474 0.000 1.129 413 F HN 0.616 nan 8.300 nan 0.000 0.500 414 A N 3.936 126.339 122.820 -0.694 0.000 2.469 414 A HA 0.297 4.615 4.320 -0.003 0.000 0.245 414 A C 1.846 178.974 177.584 -0.761 0.000 1.221 414 A CA 0.478 52.231 52.037 -0.473 0.000 0.946 414 A CB -0.726 18.117 19.000 -0.262 0.000 1.049 414 A HN 0.927 nan 8.150 nan 0.000 0.529 415 G N -0.038 107.821 108.800 -1.568 0.000 2.586 415 G HA2 0.144 4.102 3.960 -0.003 0.000 0.215 415 G HA3 0.144 4.102 3.960 -0.003 0.000 0.215 415 G C 1.004 175.647 174.900 -0.429 0.000 1.128 415 G CA 1.102 45.631 45.100 -0.951 0.000 0.774 415 G HN 0.731 nan 8.290 nan 0.000 0.543 416 G N -0.276 108.303 108.800 -0.367 0.000 3.575 416 G HA2 0.466 4.424 3.960 -0.003 0.000 0.273 416 G HA3 0.466 4.424 3.960 -0.003 0.000 0.273 416 G C 0.329 175.185 174.900 -0.074 0.000 1.053 416 G CA -0.507 44.548 45.100 -0.075 0.000 0.803 416 G HN 0.290 nan 8.290 nan 0.000 0.528 417 L N 0.655 121.799 121.223 -0.132 0.000 2.421 417 L HA 0.556 4.895 4.340 -0.003 0.000 0.263 417 L C -0.199 176.618 176.870 -0.089 0.000 1.122 417 L CA -0.817 53.960 54.840 -0.105 0.000 0.804 417 L CB 1.842 43.809 42.059 -0.154 0.000 1.150 417 L HN -0.170 nan 8.230 nan 0.000 0.457 418 V N 2.528 122.398 119.914 -0.074 0.000 2.604 418 V HA 0.497 4.615 4.120 -0.003 0.000 0.305 418 V C 0.074 176.125 176.094 -0.071 0.000 1.043 418 V CA -0.585 61.677 62.300 -0.063 0.000 0.888 418 V CB 1.985 33.781 31.823 -0.046 0.000 0.995 418 V HN 0.535 nan 8.190 nan 0.000 0.429 419 L N 2.218 123.401 121.223 -0.068 0.000 2.341 419 L HA 0.804 5.142 4.340 -0.003 0.000 0.267 419 L C 0.807 177.646 176.870 -0.052 0.000 1.022 419 L CA -0.206 54.593 54.840 -0.068 0.000 0.844 419 L CB 2.142 44.155 42.059 -0.077 0.000 1.436 419 L HN 0.936 nan 8.230 nan 0.000 0.483 420 S N -1.647 114.024 115.700 -0.049 0.000 5.444 420 S HA 0.614 5.082 4.470 -0.003 0.000 0.141 420 S C 0.657 175.235 174.600 -0.036 0.000 1.258 420 S CA 0.697 58.874 58.200 -0.039 0.000 1.126 420 S CB 0.726 63.906 63.200 -0.035 0.000 2.053 420 S HN 0.928 nan 8.310 nan 0.000 0.692 421 R N 1.011 121.491 120.500 -0.035 0.000 3.891 421 R HA -0.104 4.235 4.340 -0.003 0.000 0.187 421 R C -2.533 173.752 176.300 -0.025 0.000 0.508 421 R CA 1.407 57.488 56.100 -0.031 0.000 0.932 421 R CB -3.756 26.523 30.300 -0.035 0.000 0.917 421 R HN 0.749 nan 8.270 nan 0.000 0.590 422 P HA 0.451 nan 4.420 nan 0.000 0.280 422 P C 0.431 177.720 177.300 -0.018 0.000 1.244 422 P CA 1.203 64.292 63.100 -0.020 0.000 0.784 422 P CB 1.759 33.448 31.700 -0.019 0.000 0.913 423 S N 2.628 118.318 115.700 -0.015 0.000 2.298 423 S HA -0.217 4.252 4.470 -0.003 0.000 0.240 423 S C 1.252 175.844 174.600 -0.014 0.000 1.197 423 S CA 2.681 60.873 58.200 -0.014 0.000 1.575 423 S CB -2.103 61.089 63.200 -0.013 0.000 2.016 423 S HN 1.415 nan 8.310 nan 0.000 0.604 424 G N 0.780 109.570 108.800 -0.017 0.000 2.149 424 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.235 424 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.235 424 G C -0.503 174.386 174.900 -0.018 0.000 1.018 424 G CA 0.945 46.034 45.100 -0.018 0.000 0.728 424 G HN 1.536 nan 8.290 nan 0.000 0.508 425 E N 0.402 120.591 120.200 -0.018 0.000 2.316 425 E HA 0.520 4.868 4.350 -0.003 0.000 0.275 425 E C -2.603 173.984 176.600 -0.021 0.000 1.029 425 E CA -2.154 54.235 56.400 -0.018 0.000 0.871 425 E CB 0.818 30.508 29.700 -0.016 0.000 1.022 425 E HN 0.189 nan 8.360 nan 0.000 0.418 426 P HA 0.016 nan 4.420 nan 0.000 0.271 426 P C -1.004 176.281 177.300 -0.024 0.000 1.233 426 P CA -0.206 62.880 63.100 -0.023 0.000 0.764 426 P CB 0.670 32.358 31.700 -0.020 0.000 0.825 427 V N 7.042 126.937 119.914 -0.032 0.000 2.340 427 V HA 0.257 4.375 4.120 -0.003 0.000 0.277 427 V C -2.266 173.803 176.094 -0.042 0.000 1.017 427 V CA -2.024 60.255 62.300 -0.034 0.000 0.820 427 V CB 1.598 33.398 31.823 -0.038 0.000 1.028 427 V HN 0.425 nan 8.190 nan 0.000 0.436 428 P HA 0.025 nan 4.420 nan 0.000 0.267 428 P C 0.957 178.225 177.300 -0.053 0.000 1.209 428 P CA 0.424 63.503 63.100 -0.035 0.000 0.763 428 P CB 1.256 32.952 31.700 -0.006 0.000 0.816 429 V N 4.189 124.054 119.914 -0.082 0.000 2.720 429 V HA -0.253 3.865 4.120 -0.003 0.000 0.256 429 V C 1.914 177.948 176.094 -0.101 0.000 1.082 429 V CA 2.486 64.720 62.300 -0.110 0.000 1.101 429 V CB -1.178 30.549 31.823 -0.159 0.000 0.693 429 V HN 0.599 nan 8.190 nan 0.000 0.479 430 A N 0.032 122.809 122.820 -0.073 0.000 1.940 430 A HA -0.256 4.062 4.320 -0.003 0.000 0.219 430 A C 2.031 179.597 177.584 -0.031 0.000 1.176 430 A CA 2.067 54.077 52.037 -0.044 0.000 0.631 430 A CB -0.523 18.485 19.000 0.012 0.000 0.814 430 A HN 0.744 nan 8.150 nan 0.000 0.446 431 E N -0.278 119.907 120.200 -0.025 0.000 2.274 431 E HA -0.017 4.331 4.350 -0.003 0.000 0.194 431 E C 1.596 178.178 176.600 -0.030 0.000 0.996 431 E CA 0.687 57.078 56.400 -0.016 0.000 0.840 431 E CB -0.192 29.502 29.700 -0.009 0.000 0.772 431 E HN 0.659 nan 8.360 nan 0.000 0.491 432 L N 0.320 121.512 121.223 -0.052 0.000 2.446 432 L HA 0.020 4.358 4.340 -0.003 0.000 0.219 432 L C 1.982 178.809 176.870 -0.073 0.000 1.116 432 L CA 0.315 55.117 54.840 -0.064 0.000 0.844 432 L CB -0.017 41.992 42.059 -0.083 0.000 0.970 432 L HN 0.120 nan 8.230 nan 0.000 0.457 433 L N -0.695 120.483 121.223 -0.074 0.000 2.558 433 L HA 0.043 4.382 4.340 -0.003 0.000 0.225 433 L C 2.396 179.242 176.870 -0.041 0.000 1.128 433 L CA 0.216 55.008 54.840 -0.080 0.000 0.868 433 L CB -0.199 41.801 42.059 -0.097 0.000 1.006 433 L HN 0.165 nan 8.230 nan 0.000 0.454 434 R N 0.059 120.547 120.500 -0.020 0.000 2.152 434 R HA -0.127 4.211 4.340 -0.003 0.000 0.232 434 R C 2.437 178.750 176.300 0.021 0.000 1.117 434 R CA 1.472 57.578 56.100 0.011 0.000 0.981 434 R CB -0.344 29.968 30.300 0.020 0.000 0.870 434 R HN 0.403 nan 8.270 nan 0.000 0.451 435 S N 0.374 116.074 115.700 -0.000 0.000 2.537 435 S HA -0.018 4.450 4.470 -0.003 0.000 0.240 435 S C 1.312 175.923 174.600 0.018 0.000 0.981 435 S CA 0.555 58.757 58.200 0.004 0.000 0.948 435 S CB 0.054 63.241 63.200 -0.022 0.000 0.759 435 S HN 0.416 nan 8.310 nan 0.000 0.531 436 A N 0.055 122.883 122.820 0.014 0.000 2.860 436 A HA -0.201 4.117 4.320 -0.003 0.000 0.267 436 A C 0.371 177.968 177.584 0.022 0.000 1.421 436 A CA 1.107 53.169 52.037 0.041 0.000 0.831 436 A CB -2.243 16.823 19.000 0.110 0.000 1.041 436 A HN 0.706 nan 8.150 nan 0.000 0.623 437 R N -0.814 119.652 120.500 -0.057 0.000 2.637 437 R HA 0.569 4.908 4.340 -0.003 0.000 0.291 437 R C -2.943 173.225 176.300 -0.221 0.000 0.963 437 R CA -2.314 53.714 56.100 -0.120 0.000 0.901 437 R CB 1.122 31.343 30.300 -0.131 0.000 1.160 437 R HN 0.115 nan 8.270 nan 0.000 0.457 438 P HA -0.002 nan 4.420 nan 0.000 0.267 438 P C -0.924 176.161 177.300 -0.358 0.000 1.200 438 P CA 0.034 62.878 63.100 -0.426 0.000 0.772 438 P CB 0.507 31.720 31.700 -0.811 0.000 0.855 439 L N 2.540 123.589 121.223 -0.290 0.000 2.301 439 L HA 0.606 4.944 4.340 -0.003 0.000 0.264 439 L C -0.512 176.231 176.870 -0.211 0.000 1.016 439 L CA -0.518 54.183 54.840 -0.232 0.000 0.821 439 L CB 1.366 43.311 42.059 -0.190 0.000 1.346 439 L HN 0.185 nan 8.230 nan 0.000 0.429 440 L N 2.082 123.199 121.223 -0.176 0.000 2.427 440 L HA 0.530 4.869 4.340 -0.003 0.000 0.264 440 L C -1.354 175.446 176.870 -0.117 0.000 0.989 440 L CA -0.089 54.670 54.840 -0.136 0.000 0.865 440 L CB 0.890 42.867 42.059 -0.137 0.000 1.209 440 L HN 0.359 nan 8.230 nan 0.000 0.430 441 L N 4.022 125.170 121.223 -0.125 0.000 2.281 441 L HA 0.322 4.661 4.340 -0.003 0.000 0.285 441 L C 0.800 177.603 176.870 -0.112 0.000 1.074 441 L CA -0.419 54.341 54.840 -0.132 0.000 0.817 441 L CB 0.755 42.709 42.059 -0.175 0.000 1.168 441 L HN 0.553 nan 8.230 nan 0.000 0.434 442 D N 2.781 123.125 120.400 -0.092 0.000 2.277 442 D HA -0.049 4.589 4.640 -0.003 0.000 0.208 442 D C 1.782 178.031 176.300 -0.086 0.000 0.962 442 D CA 0.583 54.539 54.000 -0.073 0.000 0.865 442 D CB 0.363 41.130 40.800 -0.055 0.000 0.939 442 D HN 0.618 nan 8.370 nan 0.000 0.510 443 L N -1.157 120.004 121.223 -0.105 0.000 3.676 443 L HA -0.416 3.923 4.340 -0.003 0.000 0.053 443 L C 1.684 178.505 176.870 -0.081 0.000 4.206 443 L CA 1.711 56.484 54.840 -0.112 0.000 0.845 443 L CB -2.061 39.905 42.059 -0.154 0.000 3.418 443 L HN 0.159 nan 8.230 nan 0.000 0.773 444 A N -0.344 122.430 122.820 -0.075 0.000 2.529 444 A HA 0.471 4.789 4.320 -0.003 0.000 0.243 444 A C 0.720 178.279 177.584 -0.041 0.000 1.781 444 A CA 0.755 52.761 52.037 -0.051 0.000 0.877 444 A CB -0.640 18.334 19.000 -0.044 0.000 1.601 444 A HN 0.786 nan 8.150 nan 0.000 0.674 445 G N -0.798 107.985 108.800 -0.029 0.000 2.814 445 G HA2 0.533 4.492 3.960 -0.003 0.000 0.300 445 G HA3 0.533 4.492 3.960 -0.003 0.000 0.300 445 G C -0.579 174.313 174.900 -0.013 0.000 1.406 445 G CA -0.385 44.702 45.100 -0.022 0.000 1.041 445 G HN 0.525 nan 8.290 nan 0.000 0.532 446 R N 2.334 122.827 120.500 -0.012 0.000 2.576 446 R HA 0.453 4.791 4.340 -0.003 0.000 0.283 446 R C 0.983 177.284 176.300 0.002 0.000 1.493 446 R CA -0.279 55.822 56.100 0.001 0.000 1.170 446 R CB 1.108 31.414 30.300 0.011 0.000 1.189 446 R HN 0.521 nan 8.270 nan 0.000 0.542 447 A N 2.035 124.855 122.820 0.001 0.000 2.016 447 A HA -0.128 4.190 4.320 -0.003 0.000 0.217 447 A C 1.457 179.045 177.584 0.006 0.000 1.162 447 A CA 1.342 53.379 52.037 0.000 0.000 0.662 447 A CB -0.072 18.927 19.000 -0.001 0.000 0.812 447 A HN 0.799 nan 8.150 nan 0.000 0.450 448 D N 0.967 121.374 120.400 0.012 0.000 2.158 448 D HA -0.217 4.421 4.640 -0.003 0.000 0.197 448 D C 1.695 178.004 176.300 0.014 0.000 0.995 448 D CA 1.406 55.416 54.000 0.016 0.000 0.846 448 D CB -0.742 40.071 40.800 0.022 0.000 0.941 448 D HN 0.486 nan 8.370 nan 0.000 0.456 449 L N -0.398 120.833 121.223 0.013 0.000 2.095 449 L HA 0.031 4.369 4.340 -0.003 0.000 0.204 449 L C 2.923 179.784 176.870 -0.014 0.000 1.080 449 L CA 0.754 55.593 54.840 -0.001 0.000 0.759 449 L CB -0.321 41.752 42.059 0.023 0.000 0.914 449 L HN -0.075 nan 8.230 nan 0.000 0.439 450 R N 0.520 121.015 120.500 -0.008 0.000 2.080 450 R HA -0.204 4.134 4.340 -0.003 0.000 0.236 450 R C 2.542 178.849 176.300 0.011 0.000 1.137 450 R CA 1.999 58.093 56.100 -0.010 0.000 0.943 450 R CB -0.838 29.455 30.300 -0.011 0.000 0.846 450 R HN 0.461 nan 8.270 nan 0.000 0.431 451 E N 1.039 121.249 120.200 0.016 0.000 2.153 451 E HA -0.078 4.271 4.350 -0.003 0.000 0.194 451 E C 1.788 178.418 176.600 0.050 0.000 0.988 451 E CA 1.314 57.730 56.400 0.027 0.000 0.811 451 E CB -0.521 29.189 29.700 0.018 0.000 0.746 451 E HN 0.548 nan 8.360 nan 0.000 0.466 452 A N -0.045 122.804 122.820 0.048 0.000 2.235 452 A HA 0.173 4.491 4.320 -0.003 0.000 0.208 452 A C 1.989 179.673 177.584 0.167 0.000 1.172 452 A CA 1.545 53.629 52.037 0.078 0.000 0.786 452 A CB -0.096 18.923 19.000 0.030 0.000 0.804 452 A HN 0.358 nan 8.150 nan 0.000 0.479 453 T N -1.450 113.194 114.554 0.150 0.000 3.091 453 T HA 0.236 4.585 4.350 -0.003 0.000 0.277 453 T C 2.057 176.997 174.700 0.401 0.000 0.996 453 T CA 0.478 62.706 62.100 0.213 0.000 0.897 453 T CB 0.361 69.184 68.868 -0.074 0.000 1.109 453 T HN 0.569 nan 8.240 nan 0.000 0.534 454 R N 2.190 122.827 120.500 0.229 0.000 2.103 454 R HA -0.027 4.311 4.340 -0.003 0.000 0.242 454 R C -0.711 175.650 176.300 0.101 0.000 1.142 454 R CA 1.375 57.554 56.100 0.132 0.000 0.960 454 R CB -2.665 27.664 30.300 0.048 0.000 0.858 454 R HN 0.363 nan 8.270 nan 0.000 0.439 455 P HA 0.069 nan 4.420 nan 0.000 0.286 455 P C -1.342 175.461 177.300 -0.829 0.000 1.577 455 P CA 0.176 62.969 63.100 -0.513 0.000 0.805 455 P CB -0.656 30.585 31.700 -0.764 0.000 1.706 456 W N -2.826 118.419 121.300 -0.090 0.000 3.066 456 W HA 0.514 5.172 4.660 -0.003 0.000 0.330 456 W C -0.163 176.264 176.519 -0.154 0.000 1.253 456 W CA -0.832 56.431 57.345 -0.137 0.000 1.187 456 W CB -0.066 29.292 29.460 -0.170 0.000 1.434 456 W HN -0.254 nan 8.180 nan 0.000 0.572 457 S N -0.045 115.669 115.700 0.025 0.000 3.880 457 S HA 0.071 4.539 4.470 -0.003 0.000 0.658 457 S C -0.649 173.888 174.600 -0.105 0.000 0.597 457 S CA 0.873 59.036 58.200 -0.061 0.000 1.420 457 S CB -1.602 61.560 63.200 -0.062 0.000 0.821 457 S HN 1.352 nan 8.310 nan 0.000 0.914 458 D N 1.520 121.699 120.400 -0.368 0.000 2.892 458 D HA 0.618 5.257 4.640 -0.003 0.000 0.291 458 D C 0.177 176.247 176.300 -0.383 0.000 1.341 458 D CA 0.568 54.340 54.000 -0.381 0.000 0.844 458 D CB 0.426 40.897 40.800 -0.547 0.000 1.093 458 D HN 1.223 nan 8.370 nan 0.000 0.480 459 R N 0.337 120.639 120.500 -0.330 0.000 2.295 459 R HA 0.801 5.139 4.340 -0.003 0.000 0.324 459 R C 0.231 176.387 176.300 -0.241 0.000 0.968 459 R CA -0.087 55.763 56.100 -0.416 0.000 0.837 459 R CB 0.335 30.245 30.300 -0.650 0.000 1.133 459 R HN 0.925 nan 8.270 nan 0.000 0.450 460 V N -0.305 119.478 119.914 -0.219 0.000 2.617 460 V HA 0.787 4.905 4.120 -0.003 0.000 0.298 460 V C 0.054 176.061 176.094 -0.145 0.000 1.048 460 V CA -0.732 61.480 62.300 -0.145 0.000 0.964 460 V CB 2.202 33.953 31.823 -0.120 0.000 1.004 460 V HN 0.701 nan 8.190 nan 0.000 0.466 461 S N 3.350 118.988 115.700 -0.103 0.000 2.532 461 S HA 0.483 4.951 4.470 -0.003 0.000 0.318 461 S C -0.423 174.129 174.600 -0.079 0.000 1.083 461 S CA -0.378 57.765 58.200 -0.094 0.000 1.131 461 S CB 0.985 64.143 63.200 -0.070 0.000 0.973 461 S HN 1.050 nan 8.310 nan 0.000 0.468 462 V N 4.657 124.517 119.914 -0.089 0.000 2.439 462 V HA 0.798 4.916 4.120 -0.003 0.000 0.282 462 V C -0.040 176.009 176.094 -0.075 0.000 1.039 462 V CA -0.405 61.849 62.300 -0.078 0.000 0.913 462 V CB 0.803 32.575 31.823 -0.085 0.000 0.983 462 V HN 0.741 nan 8.190 nan 0.000 0.460 463 V N 5.675 125.552 119.914 -0.062 0.000 2.439 463 V HA 1.001 5.119 4.120 -0.003 0.000 0.282 463 V C 0.197 176.256 176.094 -0.059 0.000 1.039 463 V CA 0.166 62.431 62.300 -0.058 0.000 0.913 463 V CB 1.140 32.936 31.823 -0.045 0.000 0.983 463 V HN 1.700 nan 8.190 nan 0.000 0.460 464 A N 3.198 125.979 122.820 -0.064 0.000 2.515 464 A HA 0.907 5.225 4.320 -0.003 0.000 0.292 464 A C -0.196 177.347 177.584 -0.068 0.000 1.065 464 A CA -0.102 51.897 52.037 -0.063 0.000 0.641 464 A CB 0.753 19.711 19.000 -0.070 0.000 1.306 464 A HN 2.303 nan 8.150 nan 0.000 0.441 465 G N -1.039 107.724 108.800 -0.063 0.000 2.415 465 G HA2 0.788 4.747 3.960 -0.003 0.000 0.327 465 G HA3 0.788 4.747 3.960 -0.003 0.000 0.327 465 G C -0.628 174.229 174.900 -0.071 0.000 1.182 465 G CA 0.699 45.761 45.100 -0.063 0.000 0.924 465 G HN 1.574 nan 8.290 nan 0.000 0.470 466 E N -0.070 120.081 120.200 -0.083 0.000 2.287 466 E HA 0.643 4.991 4.350 -0.003 0.000 0.274 466 E C 0.368 176.923 176.600 -0.075 0.000 0.896 466 E CA -0.153 56.197 56.400 -0.084 0.000 0.788 466 E CB 1.340 30.970 29.700 -0.117 0.000 1.244 466 E HN 1.340 nan 8.360 nan 0.000 0.408 467 A N 1.261 124.052 122.820 -0.050 0.000 2.167 467 A HA 0.319 4.638 4.320 -0.003 0.000 0.214 467 A C 1.045 178.615 177.584 -0.023 0.000 1.151 467 A CA 1.504 53.521 52.037 -0.034 0.000 0.735 467 A CB 0.291 19.279 19.000 -0.020 0.000 0.802 467 A HN 0.573 nan 8.150 nan 0.000 0.467 468 T N 0.032 114.568 114.554 -0.030 0.000 3.066 468 T HA 0.420 4.768 4.350 -0.003 0.000 0.318 468 T C -0.560 174.125 174.700 -0.024 0.000 0.979 468 T CA 0.026 62.134 62.100 0.012 0.000 1.025 468 T CB 1.149 70.044 68.868 0.044 0.000 1.002 468 T HN 0.628 nan 8.240 nan 0.000 0.453 469 V N 0.540 120.400 119.914 -0.090 0.000 6.177 469 V HA -0.020 4.098 4.120 -0.003 0.000 0.277 469 V C 0.158 176.363 176.094 0.185 0.000 0.580 469 V CA 1.408 63.702 62.300 -0.010 0.000 0.697 469 V CB -2.202 29.581 31.823 -0.066 0.000 0.575 469 V HN 1.152 nan 8.190 nan 0.000 0.569 470 E N 1.409 121.862 120.200 0.423 0.000 2.646 470 E HA 0.660 5.009 4.350 -0.003 0.000 0.336 470 E C -2.166 174.571 176.600 0.229 0.000 1.027 470 E CA -0.865 55.697 56.400 0.269 0.000 0.765 470 E CB 1.432 31.224 29.700 0.153 0.000 1.545 470 E HN 0.482 nan 8.360 nan 0.000 0.382 471 P HA 0.320 nan 4.420 nan 0.000 0.270 471 P C -2.480 175.021 177.300 0.335 0.000 1.223 471 P CA -1.198 62.010 63.100 0.179 0.000 0.785 471 P CB 0.110 31.834 31.700 0.039 0.000 0.923 472 P HA 0.186 nan 4.420 nan 0.000 0.266 472 P C -0.944 176.454 177.300 0.164 0.000 1.186 472 P CA 0.782 63.959 63.100 0.128 0.000 0.767 472 P CB 0.238 31.983 31.700 0.074 0.000 0.820 473 A N 2.526 125.345 122.820 -0.001 0.000 2.540 473 A HA 0.304 4.622 4.320 -0.003 0.000 0.297 473 A C 0.187 177.656 177.584 -0.193 0.000 1.056 473 A CA -0.403 51.553 52.037 -0.136 0.000 0.700 473 A CB 1.193 19.948 19.000 -0.410 0.000 1.280 473 A HN 0.483 nan 8.150 nan 0.000 0.398 474 Q N 0.059 119.745 119.800 -0.189 0.000 2.392 474 Q HA 0.445 4.784 4.340 -0.003 0.000 0.219 474 Q C 0.518 176.428 176.000 -0.150 0.000 0.895 474 Q CA 0.969 56.690 55.803 -0.137 0.000 0.929 474 Q CB 0.859 29.552 28.738 -0.076 0.000 1.077 474 Q HN 0.974 nan 8.270 nan 0.000 0.532 475 A N 0.742 123.434 122.820 -0.213 0.000 2.549 475 A HA 0.696 5.015 4.320 -0.003 0.000 0.297 475 A C -1.604 175.838 177.584 -0.236 0.000 1.061 475 A CA -0.565 51.388 52.037 -0.140 0.000 0.690 475 A CB 1.317 20.356 19.000 0.065 0.000 1.287 475 A HN 0.167 nan 8.150 nan 0.000 0.402 476 L N 2.495 123.619 121.223 -0.165 0.000 2.457 476 L HA 0.316 4.654 4.340 -0.003 0.000 0.266 476 L C -1.075 175.750 176.870 -0.075 0.000 0.979 476 L CA -0.685 54.041 54.840 -0.190 0.000 0.857 476 L CB 1.708 43.575 42.059 -0.321 0.000 1.213 476 L HN 0.679 nan 8.230 nan 0.000 0.418 477 L N 5.191 126.447 121.223 0.056 0.000 2.407 477 L HA 0.282 4.621 4.340 -0.003 0.000 0.282 477 L C -0.365 176.443 176.870 -0.103 0.000 1.110 477 L CA 0.345 55.189 54.840 0.007 0.000 0.863 477 L CB 0.893 43.021 42.059 0.113 0.000 1.207 477 L HN 0.243 nan 8.230 nan 0.000 0.454 478 V N 6.541 126.362 119.914 -0.155 0.000 2.370 478 V HA 0.453 4.572 4.120 -0.003 0.000 0.279 478 V C 0.668 176.620 176.094 -0.237 0.000 1.029 478 V CA -0.774 61.413 62.300 -0.188 0.000 0.870 478 V CB 1.262 32.964 31.823 -0.203 0.000 0.984 478 V HN 0.691 nan 8.190 nan 0.000 0.451 479 R N 5.048 125.387 120.500 -0.270 0.000 2.738 479 R HA 0.172 4.510 4.340 -0.003 0.000 0.268 479 R C -1.577 174.403 176.300 -0.532 0.000 1.062 479 R CA -1.182 54.634 56.100 -0.474 0.000 1.158 479 R CB 0.121 30.137 30.300 -0.473 0.000 1.046 479 R HN 0.415 nan 8.270 nan 0.000 0.493 480 P HA -0.181 nan 4.420 nan 0.000 0.220 480 P C -0.061 177.022 177.300 -0.361 0.000 1.144 480 P CA 1.339 64.091 63.100 -0.580 0.000 0.800 480 P CB 0.092 31.387 31.700 -0.676 0.000 0.772 481 D N -3.148 117.052 120.400 -0.333 0.000 2.349 481 D HA 0.170 4.808 4.640 -0.003 0.000 0.214 481 D C 1.458 177.919 176.300 0.267 0.000 1.063 481 D CA 0.399 54.479 54.000 0.134 0.000 0.847 481 D CB -0.546 40.537 40.800 0.472 0.000 0.933 481 D HN 0.202 nan 8.370 nan 0.000 0.513 482 G N -0.662 108.173 108.800 0.058 0.000 2.254 482 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.225 482 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.225 482 G C -0.161 174.620 174.900 -0.199 0.000 1.003 482 G CA -0.230 44.803 45.100 -0.111 0.000 0.622 482 G HN 0.336 nan 8.290 nan 0.000 0.507 483 Y N 0.958 121.365 120.300 0.179 0.000 2.309 483 Y HA 0.500 5.049 4.550 -0.003 0.000 0.327 483 Y C 1.114 177.034 175.900 0.032 0.000 1.172 483 Y CA -0.552 57.668 58.100 0.200 0.000 1.280 483 Y CB 1.360 40.045 38.460 0.374 0.000 1.234 483 Y HN 0.085 nan 8.280 nan 0.000 0.512 484 V N 3.462 123.496 119.914 0.199 0.000 2.555 484 V HA 0.173 4.291 4.120 -0.003 0.000 0.286 484 V C 0.722 176.818 176.094 0.003 0.000 1.044 484 V CA 0.401 62.745 62.300 0.073 0.000 1.026 484 V CB 0.732 32.656 31.823 0.169 0.000 0.981 484 V HN 1.075 nan 8.190 nan 0.000 0.480 485 A N 4.289 126.971 122.820 -0.231 0.000 1.901 485 A HA 0.205 4.523 4.320 -0.003 0.000 0.210 485 A C 0.435 177.988 177.584 -0.052 0.000 1.208 485 A CA 0.331 52.003 52.037 -0.608 0.000 0.644 485 A CB 0.104 18.131 19.000 -1.622 0.000 0.863 485 A HN 0.841 nan 8.150 nan 0.000 0.454 486 W N -1.663 119.534 121.300 -0.172 0.000 3.127 486 W HA 0.603 5.261 4.660 -0.003 0.000 0.330 486 W C -0.967 175.524 176.519 -0.048 0.000 1.187 486 W CA -0.197 57.145 57.345 -0.006 0.000 1.198 486 W CB 1.432 30.901 29.460 0.016 0.000 1.408 486 W HN 0.294 nan 8.180 nan 0.000 0.529 487 A N 2.533 124.735 122.820 -1.030 0.000 2.454 487 A HA 0.856 5.174 4.320 -0.003 0.000 0.302 487 A C -0.781 175.646 177.584 -1.928 0.000 1.079 487 A CA -0.562 50.791 52.037 -1.141 0.000 0.731 487 A CB 1.445 20.085 19.000 -0.600 0.000 1.299 487 A HN 1.190 nan 8.150 nan 0.000 0.413 488 G N 0.339 108.300 108.800 -1.398 0.000 2.487 488 G HA2 0.517 4.475 3.960 -0.003 0.000 0.314 488 G HA3 0.517 4.475 3.960 -0.003 0.000 0.314 488 G C -0.291 174.298 174.900 -0.519 0.000 1.267 488 G CA 0.085 44.627 45.100 -0.930 0.000 0.937 488 G HN 0.937 nan 8.290 nan 0.000 0.481 489 S N 2.564 118.091 115.700 -0.288 0.000 2.654 489 S HA 0.565 5.034 4.470 -0.003 0.000 0.283 489 S C -0.953 173.651 174.600 0.008 0.000 1.180 489 S CA -1.563 56.626 58.200 -0.017 0.000 1.021 489 S CB 1.711 65.006 63.200 0.159 0.000 1.018 489 S HN 0.217 nan 8.310 nan 0.000 0.532 490 P HA -0.190 nan 4.420 nan 0.000 0.219 490 P C 1.087 178.416 177.300 0.050 0.000 1.153 490 P CA 2.090 65.209 63.100 0.031 0.000 0.865 490 P CB -0.087 31.630 31.700 0.029 0.000 0.788 491 A N -0.807 122.048 122.820 0.058 0.000 2.121 491 A HA 0.150 4.469 4.320 -0.003 0.000 0.218 491 A C 1.343 178.985 177.584 0.097 0.000 1.154 491 A CA 0.773 52.852 52.037 0.070 0.000 0.679 491 A CB -1.199 17.842 19.000 0.068 0.000 0.795 491 A HN 0.259 nan 8.150 nan 0.000 0.458 492 A N 1.416 124.306 122.820 0.117 0.000 2.515 492 A HA 0.447 4.765 4.320 -0.003 0.000 0.263 492 A C 0.933 178.631 177.584 0.191 0.000 1.096 492 A CA 0.492 52.653 52.037 0.207 0.000 0.769 492 A CB -0.712 18.459 19.000 0.286 0.000 1.040 492 A HN 0.707 nan 8.150 nan 0.000 0.505 493 T N -0.166 114.486 114.554 0.162 0.000 2.847 493 T HA 0.534 4.882 4.350 -0.003 0.000 0.279 493 T C 1.389 176.138 174.700 0.083 0.000 0.984 493 T CA -0.097 62.066 62.100 0.106 0.000 0.988 493 T CB 1.288 70.204 68.868 0.080 0.000 1.040 493 T HN 1.068 nan 8.240 nan 0.000 0.528 494 A N 0.580 123.427 122.820 0.044 0.000 1.933 494 A HA 0.056 4.374 4.320 -0.003 0.000 0.218 494 A C 2.368 179.943 177.584 -0.015 0.000 1.175 494 A CA 2.221 54.260 52.037 0.004 0.000 0.628 494 A CB -1.880 17.128 19.000 0.014 0.000 0.814 494 A HN 1.104 nan 8.150 nan 0.000 0.444 495 D N -0.185 120.224 120.400 0.016 0.000 2.149 495 D HA -0.181 4.458 4.640 -0.003 0.000 0.198 495 D C 1.853 178.156 176.300 0.005 0.000 0.990 495 D CA 1.521 55.532 54.000 0.018 0.000 0.839 495 D CB -0.574 40.247 40.800 0.035 0.000 0.948 495 D HN 0.774 nan 8.370 nan 0.000 0.460 496 E N -0.782 119.433 120.200 0.025 0.000 2.051 496 E HA -0.073 4.276 4.350 -0.003 0.000 0.192 496 E C 2.221 178.724 176.600 -0.162 0.000 0.991 496 E CA 1.034 57.458 56.400 0.041 0.000 0.799 496 E CB -0.134 29.687 29.700 0.201 0.000 0.748 496 E HN 0.469 nan 8.360 nan 0.000 0.449 497 L N 1.320 122.320 121.223 -0.373 0.000 2.083 497 L HA -0.180 4.159 4.340 -0.003 0.000 0.209 497 L C 2.483 179.108 176.870 -0.408 0.000 1.083 497 L CA 2.345 56.697 54.840 -0.814 0.000 0.752 497 L CB -0.837 40.712 42.059 -0.850 0.000 0.899 497 L HN -0.006 nan 8.230 nan 0.000 0.433 498 R N 0.143 120.539 120.500 -0.172 0.000 2.094 498 R HA -0.102 4.236 4.340 -0.003 0.000 0.239 498 R C 2.341 178.655 176.300 0.024 0.000 1.137 498 R CA 2.226 58.317 56.100 -0.014 0.000 0.943 498 R CB -2.034 28.288 30.300 0.038 0.000 0.850 498 R HN 0.682 nan 8.270 nan 0.000 0.433 499 A N -0.347 122.474 122.820 0.002 0.000 1.933 499 A HA -0.086 4.233 4.320 -0.003 0.000 0.218 499 A C 2.600 180.213 177.584 0.049 0.000 1.175 499 A CA 2.002 54.064 52.037 0.043 0.000 0.628 499 A CB -0.743 18.283 19.000 0.043 0.000 0.814 499 A HN 0.581 nan 8.150 nan 0.000 0.444 500 S N -0.727 114.951 115.700 -0.037 0.000 2.399 500 S HA -0.067 4.401 4.470 -0.003 0.000 0.231 500 S C 1.857 176.537 174.600 0.134 0.000 1.022 500 S CA 1.327 59.556 58.200 0.049 0.000 0.983 500 S CB -0.450 62.598 63.200 -0.254 0.000 0.803 500 S HN 0.497 nan 8.310 nan 0.000 0.480 501 L N 0.813 122.024 121.223 -0.020 0.000 2.044 501 L HA 0.048 4.386 4.340 -0.003 0.000 0.205 501 L C 2.887 179.863 176.870 0.177 0.000 1.075 501 L CA 1.133 55.956 54.840 -0.028 0.000 0.747 501 L CB -0.662 41.103 42.059 -0.489 0.000 0.903 501 L HN 0.341 nan 8.230 nan 0.000 0.435 502 A N -0.177 122.802 122.820 0.265 0.000 2.024 502 A HA -0.242 4.076 4.320 -0.003 0.000 0.220 502 A C 2.429 180.157 177.584 0.240 0.000 1.164 502 A CA 1.804 54.046 52.037 0.341 0.000 0.643 502 A CB -0.539 18.617 19.000 0.260 0.000 0.806 502 A HN 0.359 nan 8.150 nan 0.000 0.451 503 R N -2.183 118.422 120.500 0.176 0.000 2.090 503 R HA -0.062 4.276 4.340 -0.003 0.000 0.219 503 R C 1.888 178.267 176.300 0.131 0.000 1.100 503 R CA 0.960 57.133 56.100 0.120 0.000 0.991 503 R CB -0.225 30.116 30.300 0.068 0.000 0.893 503 R HN 0.653 nan 8.270 nan 0.000 0.443 504 W N -0.549 120.732 121.300 -0.032 0.000 2.418 504 W HA -0.012 4.647 4.660 -0.003 0.000 0.292 504 W C 0.619 176.794 176.519 -0.573 0.000 1.213 504 W CA 0.604 57.653 57.345 -0.494 0.000 1.283 504 W CB 0.234 29.058 29.460 -1.058 0.000 1.119 504 W HN 0.018 nan 8.180 nan 0.000 0.542 505 F N -0.161 120.073 119.950 0.473 0.000 2.791 505 F HA 0.523 5.048 4.527 -0.003 0.000 0.316 505 F C 0.999 177.118 175.800 0.531 0.000 1.134 505 F CA -0.200 58.106 58.000 0.510 0.000 1.222 505 F CB -0.141 39.009 39.000 0.250 0.000 1.034 505 F HN -0.073 nan 8.300 nan 0.000 0.516 506 G N 1.240 110.360 108.800 0.532 0.000 2.877 506 G HA2 -0.198 3.761 3.960 -0.003 0.000 0.279 506 G HA3 -0.198 3.761 3.960 -0.003 0.000 0.279 506 G C -2.790 172.386 174.900 0.460 0.000 1.431 506 G CA -1.451 43.911 45.100 0.437 0.000 0.883 506 G HN 0.051 nan 8.290 nan 0.000 0.547 507 P HA 0.230 nan 4.420 nan 0.000 0.267 507 P C -1.780 175.492 177.300 -0.048 0.000 1.201 507 P CA -0.365 62.820 63.100 0.142 0.000 0.775 507 P CB 0.006 31.753 31.700 0.079 0.000 0.854 508 P HA 0.249 nan 4.420 nan 0.000 0.286 508 P C -0.663 176.355 177.300 -0.470 0.000 1.293 508 P CA -0.355 62.229 63.100 -0.860 0.000 0.770 508 P CB 0.341 31.599 31.700 -0.737 0.000 1.206 509 A N -0.875 121.649 122.820 -0.493 0.000 2.257 509 A HA 0.583 4.901 4.320 -0.003 0.000 0.289 509 A C 0.595 178.065 177.584 -0.190 0.000 1.095 509 A CA 0.068 51.943 52.037 -0.271 0.000 0.836 509 A CB -0.893 17.959 19.000 -0.247 0.000 1.111 509 A HN 0.705 nan 8.150 nan 0.000 0.497 510 N N 0.000 118.627 118.700 -0.121 0.000 1.763 510 N HA 0.000 4.738 4.740 -0.003 0.000 0.220 510 N CA 0.000 52.999 53.050 -0.085 0.000 0.885 510 N CB 0.000 38.453 38.487 -0.056 0.000 1.341 510 N HN 0.000 nan 8.380 nan 0.000 0.667