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 1aor_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYGNWGRFIR VNLSTGDIKV EEYDEELAKK WLGSRGLAIY LLLKEMDPTV DATA SEQUENCE DPLSPENKLI IAAGPLTGTS APTGGRYNVV TKSPLTGFIT MANSGGYFGA DATA SEQUENCE ELKFAGYDAI VVEGKAEKPV YIYIKDEHIE IRDASHIWGK KVSETEATIR DATA SEQUENCE KEVGSEKVKI ASIGPAGENL VKFAAIMNDG HRAAGRGGVG AVMGSKNLKA DATA SEQUENCE IAVEGSKTVP IADKQKFMLV VREKVNKLRN DPVAGGGLPK YGTAVLVNII DATA SEQUENCE NENGLYPVKN FQTGVYPYAY EQSGEAMAAK YLVRNKPCYA CPIGCGRVNR DATA SEQUENCE LPTVGETEGP EYESVWALGA NLGINDLASI IEANHMCDEL GLDTISTGGT DATA SEQUENCE LATAMELYEK GHIKDEELGD APPFRWGNTE VLHYYIEKIA KREGFGDKLA DATA SEQUENCE EGSYRLAESY GHPELSMTVK KLELPAYDPR GAEGHGLGYA TNNRGGCHIK DATA SEQUENCE NYMISPEILG YPYKMDPHDV SDDKIKMLIL FQDLTALIDS AGLCLFTTFG DATA SEQUENCE LGADDYRDLL NAALGWDFTT EDYLKIGERI WNAERLFNLK AGLDPARDDT DATA SEQUENCE LPKRFLEEPM PEGPNKGHTV RLKEMLPRYY KLRGWTEDGK IPKEKLEELG DATA SEQUENCE IAEFY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.839 176.300 -0.769 0.000 1.140 1 M CA 0.000 55.089 55.300 -0.351 0.000 0.988 1 M CB 0.000 32.489 32.600 -0.186 0.000 1.302 2 Y N -0.129 120.080 120.300 -0.151 0.000 2.605 2 Y HA 0.725 5.275 4.550 -0.001 0.000 0.343 2 Y C 0.887 176.589 175.900 -0.331 0.000 1.036 2 Y CA 0.583 58.519 58.100 -0.273 0.000 1.065 2 Y CB 1.907 40.195 38.460 -0.286 0.000 1.288 2 Y HN 0.933 nan 8.280 nan 0.000 0.481 3 G N 1.054 109.710 108.800 -0.240 0.000 5.431 3 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.322 3 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.322 3 G C 0.063 174.783 174.900 -0.300 0.000 1.370 3 G CA 0.276 45.209 45.100 -0.279 0.000 0.963 3 G HN 0.558 nan 8.290 nan 0.000 0.797 4 N N 1.051 119.647 118.700 -0.173 0.000 2.525 4 N HA 0.303 5.042 4.740 -0.001 0.000 0.271 4 N C 0.703 176.129 175.510 -0.140 0.000 1.194 4 N CA 0.167 53.188 53.050 -0.048 0.000 0.964 4 N CB 0.743 39.312 38.487 0.137 0.000 1.126 4 N HN 0.581 nan 8.380 nan 0.000 0.452 5 W N 0.574 121.855 121.300 -0.032 0.000 2.523 5 W HA 0.174 4.833 4.660 -0.001 0.000 0.278 5 W C 1.446 177.851 176.519 -0.191 0.000 1.236 5 W CA 0.381 57.666 57.345 -0.101 0.000 1.306 5 W CB 0.191 29.605 29.460 -0.077 0.000 1.101 5 W HN 0.768 nan 8.180 nan 0.000 0.577 6 G N 0.761 109.530 108.800 -0.053 0.000 2.132 6 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.228 6 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.228 6 G C -0.023 174.730 174.900 -0.244 0.000 1.000 6 G CA -0.351 44.373 45.100 -0.627 0.000 0.693 6 G HN 0.235 nan 8.290 nan 0.000 0.515 7 R N -0.917 119.668 120.500 0.141 0.000 2.725 7 R HA 0.773 5.112 4.340 -0.001 0.000 0.277 7 R C -0.705 175.852 176.300 0.429 0.000 0.987 7 R CA -0.786 55.418 56.100 0.174 0.000 0.901 7 R CB 1.518 31.845 30.300 0.045 0.000 1.207 7 R HN 0.605 nan 8.270 nan 0.000 0.463 8 F N 0.059 120.167 119.950 0.264 0.000 2.641 8 F HA 0.569 5.096 4.527 -0.001 0.000 0.308 8 F C -1.262 174.595 175.800 0.094 0.000 1.105 8 F CA -1.269 56.856 58.000 0.208 0.000 0.964 8 F CB 0.822 39.935 39.000 0.188 0.000 1.294 8 F HN 0.233 nan 8.300 nan 0.000 0.442 9 I N 2.926 123.618 120.570 0.202 0.000 2.472 9 I HA 0.473 4.643 4.170 -0.001 0.000 0.290 9 I C -0.088 176.122 176.117 0.155 0.000 1.016 9 I CA -0.589 60.713 61.300 0.003 0.000 1.348 9 I CB 1.511 39.367 38.000 -0.239 0.000 1.417 9 I HN 0.755 nan 8.210 nan 0.000 0.521 10 R N 5.282 125.827 120.500 0.075 0.000 2.451 10 R HA 0.641 4.980 4.340 -0.001 0.000 0.307 10 R C -1.995 174.317 176.300 0.020 0.000 0.965 10 R CA -0.473 55.689 56.100 0.103 0.000 0.865 10 R CB 1.586 31.965 30.300 0.131 0.000 1.174 10 R HN 0.483 nan 8.270 nan 0.000 0.455 11 V N 4.469 124.390 119.914 0.011 0.000 2.487 11 V HA 0.305 4.424 4.120 -0.001 0.000 0.298 11 V C -0.459 175.631 176.094 -0.006 0.000 1.028 11 V CA -1.017 61.275 62.300 -0.014 0.000 0.860 11 V CB 1.621 33.427 31.823 -0.028 0.000 0.991 11 V HN 0.693 nan 8.190 nan 0.000 0.427 12 N N 4.628 123.321 118.700 -0.012 0.000 2.589 12 N HA 0.323 5.062 4.740 -0.001 0.000 0.232 12 N C 0.750 176.249 175.510 -0.018 0.000 1.015 12 N CA -0.322 52.722 53.050 -0.011 0.000 0.931 12 N CB 1.252 39.733 38.487 -0.009 0.000 1.150 12 N HN 0.685 nan 8.380 nan 0.000 0.512 13 L N 1.491 122.704 121.223 -0.017 0.000 2.265 13 L HA -0.117 4.222 4.340 -0.001 0.000 0.215 13 L C 1.881 178.734 176.870 -0.028 0.000 1.117 13 L CA 0.646 55.471 54.840 -0.024 0.000 0.782 13 L CB -0.174 41.873 42.059 -0.019 0.000 0.914 13 L HN 0.420 nan 8.230 nan 0.000 0.441 14 S N -0.679 115.006 115.700 -0.024 0.000 2.387 14 S HA -0.122 4.347 4.470 -0.001 0.000 0.226 14 S C 1.978 176.562 174.600 -0.027 0.000 1.026 14 S CA 1.820 60.004 58.200 -0.026 0.000 0.972 14 S CB -0.141 63.046 63.200 -0.021 0.000 0.814 14 S HN 0.644 nan 8.310 nan 0.000 0.477 15 T N -2.807 111.732 114.554 -0.024 0.000 2.990 15 T HA 0.470 4.819 4.350 -0.001 0.000 0.249 15 T C 1.430 176.114 174.700 -0.027 0.000 1.039 15 T CA 0.711 62.797 62.100 -0.023 0.000 1.036 15 T CB 0.424 69.280 68.868 -0.019 0.000 0.994 15 T HN 0.548 nan 8.240 nan 0.000 0.489 16 G N 1.549 110.331 108.800 -0.029 0.000 2.132 16 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.234 16 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.234 16 G C -0.334 174.545 174.900 -0.035 0.000 0.989 16 G CA -0.051 45.028 45.100 -0.035 0.000 0.676 16 G HN 0.734 nan 8.290 nan 0.000 0.522 17 D N 0.319 120.701 120.400 -0.029 0.000 2.351 17 D HA 0.520 5.159 4.640 -0.001 0.000 0.251 17 D C 0.665 176.945 176.300 -0.033 0.000 1.137 17 D CA 0.071 54.055 54.000 -0.028 0.000 0.879 17 D CB 0.332 41.121 40.800 -0.019 0.000 1.181 17 D HN 0.339 nan 8.370 nan 0.000 0.448 18 I N 3.549 124.095 120.570 -0.041 0.000 2.465 18 I HA 0.384 4.553 4.170 -0.001 0.000 0.291 18 I C 0.009 176.096 176.117 -0.050 0.000 1.014 18 I CA -0.816 60.452 61.300 -0.054 0.000 1.093 18 I CB 1.677 39.631 38.000 -0.078 0.000 1.267 18 I HN 0.117 nan 8.210 nan 0.000 0.431 19 K N 5.074 125.444 120.400 -0.050 0.000 2.468 19 K HA 0.600 4.920 4.320 -0.001 0.000 0.252 19 K C -1.472 175.081 176.600 -0.079 0.000 0.932 19 K CA -0.782 55.472 56.287 -0.055 0.000 0.794 19 K CB 3.302 35.775 32.500 -0.044 0.000 1.241 19 K HN 0.239 nan 8.250 nan 0.000 0.428 20 V N 3.307 123.171 119.914 -0.082 0.000 2.370 20 V HA 0.243 4.362 4.120 -0.001 0.000 0.279 20 V C -0.097 175.889 176.094 -0.181 0.000 1.029 20 V CA -0.509 61.738 62.300 -0.089 0.000 0.870 20 V CB 1.253 33.083 31.823 0.010 0.000 0.984 20 V HN 0.697 nan 8.190 nan 0.000 0.451 21 E N 3.702 123.661 120.200 -0.402 0.000 2.281 21 E HA 0.666 5.015 4.350 -0.001 0.000 0.262 21 E C -1.025 175.295 176.600 -0.466 0.000 0.933 21 E CA -0.808 55.280 56.400 -0.520 0.000 0.809 21 E CB 2.764 31.974 29.700 -0.816 0.000 1.242 21 E HN 0.683 nan 8.360 nan 0.000 0.418 22 E N 0.150 120.217 120.200 -0.221 0.000 2.359 22 E HA 0.491 4.840 4.350 -0.001 0.000 0.266 22 E C -1.348 175.354 176.600 0.171 0.000 0.920 22 E CA -0.863 55.511 56.400 -0.043 0.000 0.788 22 E CB 1.923 31.589 29.700 -0.056 0.000 1.279 22 E HN 0.432 nan 8.360 nan 0.000 0.438 23 Y N -1.572 118.795 120.300 0.112 0.000 2.597 23 Y HA 0.472 5.021 4.550 -0.001 0.000 0.340 23 Y C -1.354 174.621 175.900 0.124 0.000 1.097 23 Y CA -1.509 56.685 58.100 0.158 0.000 1.037 23 Y CB 0.700 39.314 38.460 0.257 0.000 1.305 23 Y HN 0.441 nan 8.280 nan 0.000 0.463 24 D N -0.168 120.353 120.400 0.201 0.000 2.388 24 D HA 0.150 4.790 4.640 -0.001 0.000 0.254 24 D C 0.631 177.027 176.300 0.161 0.000 1.111 24 D CA -0.591 53.468 54.000 0.098 0.000 0.993 24 D CB 1.164 42.020 40.800 0.093 0.000 1.118 24 D HN 0.863 nan 8.370 nan 0.000 0.502 25 E N -0.684 119.577 120.200 0.101 0.000 2.265 25 E HA -0.228 4.121 4.350 -0.001 0.000 0.196 25 E C 1.362 178.033 176.600 0.119 0.000 0.996 25 E CA 0.805 57.294 56.400 0.148 0.000 0.832 25 E CB 0.124 29.895 29.700 0.118 0.000 0.756 25 E HN 0.543 nan 8.360 nan 0.000 0.491 26 E N 0.113 120.365 120.200 0.087 0.000 2.110 26 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 26 E C 2.010 178.660 176.600 0.083 0.000 0.988 26 E CA 0.497 56.924 56.400 0.045 0.000 0.804 26 E CB 0.031 29.757 29.700 0.044 0.000 0.745 26 E HN 0.304 nan 8.360 nan 0.000 0.458 27 L N 0.398 121.724 121.223 0.172 0.000 2.072 27 L HA -0.073 4.266 4.340 -0.001 0.000 0.205 27 L C 2.276 179.305 176.870 0.264 0.000 1.079 27 L CA 1.550 56.503 54.840 0.188 0.000 0.752 27 L CB -0.848 41.322 42.059 0.185 0.000 0.906 27 L HN 0.040 nan 8.230 nan 0.000 0.436 28 A N -0.277 122.760 122.820 0.363 0.000 1.972 28 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 28 A C 2.152 179.972 177.584 0.393 0.000 1.169 28 A CA 1.311 53.620 52.037 0.454 0.000 0.635 28 A CB -0.330 19.018 19.000 0.580 0.000 0.810 28 A HN 0.419 nan 8.150 nan 0.000 0.446 29 K N -0.851 119.611 120.400 0.103 0.000 2.486 29 K HA -0.011 4.308 4.320 -0.001 0.000 0.194 29 K C 1.817 178.434 176.600 0.029 0.000 1.033 29 K CA 0.997 57.188 56.287 -0.161 0.000 1.004 29 K CB 0.067 32.333 32.500 -0.391 0.000 0.798 29 K HN 0.476 nan 8.250 nan 0.000 0.495 30 K N -0.789 119.599 120.400 -0.020 0.000 2.287 30 K HA 0.001 4.320 4.320 -0.001 0.000 0.199 30 K C 0.762 177.107 176.600 -0.425 0.000 1.061 30 K CA 0.354 56.472 56.287 -0.282 0.000 0.976 30 K CB 0.346 32.599 32.500 -0.413 0.000 0.898 30 K HN 0.095 nan 8.250 nan 0.000 0.492 31 W N 0.320 121.676 121.300 0.093 0.000 2.998 31 W HA 0.217 4.876 4.660 -0.001 0.000 0.336 31 W C 0.747 177.355 176.519 0.149 0.000 1.112 31 W CA -0.482 56.919 57.345 0.093 0.000 1.682 31 W CB 0.475 29.931 29.460 -0.007 0.000 1.065 31 W HN 0.033 nan 8.180 nan 0.000 0.570 32 L N -0.203 121.264 121.223 0.406 0.000 3.412 32 L HA -0.262 4.077 4.340 -0.001 0.000 0.253 32 L C 0.710 177.755 176.870 0.291 0.000 4.367 32 L CA 2.634 57.708 54.840 0.390 0.000 0.793 32 L CB -1.449 40.815 42.059 0.341 0.000 3.488 32 L HN 0.294 nan 8.230 nan 0.000 0.786 33 G N -4.162 104.776 108.800 0.230 0.000 2.341 33 G HA2 0.499 4.458 3.960 -0.001 0.000 0.293 33 G HA3 0.499 4.458 3.960 -0.001 0.000 0.293 33 G C 0.040 175.004 174.900 0.106 0.000 1.298 33 G CA 0.666 45.860 45.100 0.157 0.000 0.868 33 G HN 1.339 nan 8.290 nan 0.000 0.540 34 S N -1.037 114.708 115.700 0.076 0.000 4.149 34 S HA -0.404 4.065 4.470 -0.001 0.000 0.539 34 S C 2.229 176.842 174.600 0.022 0.000 1.811 34 S CA 2.905 61.139 58.200 0.055 0.000 4.174 34 S CB -1.216 62.025 63.200 0.067 0.000 0.756 34 S HN 1.585 nan 8.310 nan 0.000 0.470 35 R N 0.990 121.506 120.500 0.028 0.000 2.096 35 R HA -0.108 4.231 4.340 -0.001 0.000 0.240 35 R C 2.434 178.748 176.300 0.022 0.000 1.139 35 R CA 2.338 58.442 56.100 0.007 0.000 0.952 35 R CB -1.293 29.020 30.300 0.021 0.000 0.854 35 R HN 0.605 nan 8.270 nan 0.000 0.436 36 G N 1.209 110.076 108.800 0.111 0.000 2.433 36 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.216 36 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.216 36 G C 1.326 176.269 174.900 0.073 0.000 1.186 36 G CA 0.763 46.004 45.100 0.236 0.000 0.779 36 G HN 0.343 nan 8.290 nan 0.000 0.543 37 L N 1.406 122.635 121.223 0.011 0.000 2.079 37 L HA 0.100 4.439 4.340 -0.001 0.000 0.210 37 L C 3.030 179.751 176.870 -0.248 0.000 1.081 37 L CA 2.184 56.926 54.840 -0.163 0.000 0.752 37 L CB -0.633 41.323 42.059 -0.172 0.000 0.896 37 L HN 0.242 nan 8.230 nan 0.000 0.433 38 A N -0.598 122.102 122.820 -0.200 0.000 1.902 38 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 38 A C 2.255 179.656 177.584 -0.305 0.000 1.181 38 A CA 1.878 53.773 52.037 -0.238 0.000 0.623 38 A CB -0.912 17.983 19.000 -0.174 0.000 0.818 38 A HN 0.473 nan 8.150 nan 0.000 0.443 39 I N -1.535 118.849 120.570 -0.310 0.000 2.394 39 I HA -0.180 3.989 4.170 -0.001 0.000 0.251 39 I C 2.154 177.942 176.117 -0.549 0.000 1.136 39 I CA 1.373 62.440 61.300 -0.388 0.000 1.425 39 I CB -0.555 37.284 38.000 -0.269 0.000 1.079 39 I HN 0.514 nan 8.210 nan 0.000 0.425 40 Y N 0.661 120.416 120.300 -0.908 0.000 2.181 40 Y HA -0.185 4.364 4.550 -0.001 0.000 0.288 40 Y C 2.114 177.660 175.900 -0.589 0.000 1.146 40 Y CA 1.847 59.289 58.100 -1.098 0.000 1.164 40 Y CB -0.474 36.982 38.460 -1.674 0.000 0.982 40 Y HN 0.150 nan 8.280 nan 0.000 0.515 41 L N -0.309 120.571 121.223 -0.571 0.000 2.083 41 L HA -0.235 4.104 4.340 -0.001 0.000 0.209 41 L C 2.427 179.057 176.870 -0.399 0.000 1.083 41 L CA 1.259 55.802 54.840 -0.496 0.000 0.752 41 L CB -0.536 41.318 42.059 -0.343 0.000 0.899 41 L HN 0.341 nan 8.230 nan 0.000 0.433 42 L N -0.923 120.083 121.223 -0.361 0.000 2.072 42 L HA -0.189 4.150 4.340 -0.001 0.000 0.205 42 L C 2.475 179.236 176.870 -0.182 0.000 1.079 42 L CA 0.914 55.615 54.840 -0.232 0.000 0.752 42 L CB -0.340 41.563 42.059 -0.260 0.000 0.906 42 L HN 0.242 nan 8.230 nan 0.000 0.436 43 L N 0.136 121.151 121.223 -0.346 0.000 2.083 43 L HA -0.236 4.103 4.340 -0.001 0.000 0.209 43 L C 2.771 179.448 176.870 -0.322 0.000 1.083 43 L CA 1.382 55.971 54.840 -0.418 0.000 0.752 43 L CB -0.368 41.082 42.059 -1.015 0.000 0.899 43 L HN 0.306 nan 8.230 nan 0.000 0.433 44 K N 0.334 120.514 120.400 -0.367 0.000 2.076 44 K HA -0.144 4.176 4.320 -0.001 0.000 0.204 44 K C 1.488 178.041 176.600 -0.078 0.000 1.051 44 K CA 1.416 57.641 56.287 -0.103 0.000 0.949 44 K CB 0.188 32.454 32.500 -0.390 0.000 0.726 44 K HN 0.379 nan 8.250 nan 0.000 0.443 45 E N -0.392 119.730 120.200 -0.130 0.000 2.447 45 E HA 0.121 4.470 4.350 -0.001 0.000 0.204 45 E C 0.297 176.874 176.600 -0.040 0.000 0.977 45 E CA -0.184 56.176 56.400 -0.068 0.000 0.950 45 E CB 0.697 30.353 29.700 -0.072 0.000 0.975 45 E HN 0.184 nan 8.360 nan 0.000 0.496 46 M N 1.623 121.202 119.600 -0.035 0.000 2.465 46 M HA 0.206 4.685 4.480 -0.001 0.000 0.316 46 M C -1.526 174.769 176.300 -0.008 0.000 1.121 46 M CA -0.872 54.426 55.300 -0.004 0.000 0.934 46 M CB 1.911 34.527 32.600 0.026 0.000 1.692 46 M HN -0.245 nan 8.290 nan 0.000 0.444 47 D N 5.277 125.661 120.400 -0.027 0.000 2.339 47 D HA 0.213 4.852 4.640 -0.001 0.000 0.256 47 D C -1.997 174.236 176.300 -0.110 0.000 1.214 47 D CA -1.714 52.246 54.000 -0.067 0.000 0.877 47 D CB 1.251 42.019 40.800 -0.054 0.000 1.111 47 D HN 0.294 nan 8.370 nan 0.000 0.478 48 P HA -0.063 nan 4.420 nan 0.000 0.229 48 P C 0.728 177.833 177.300 -0.325 0.000 1.150 48 P CA 0.875 63.655 63.100 -0.534 0.000 0.765 48 P CB 0.360 31.558 31.700 -0.837 0.000 0.783 49 T N -1.251 113.186 114.554 -0.194 0.000 3.065 49 T HA 0.064 4.413 4.350 -0.001 0.000 0.252 49 T C 0.788 175.434 174.700 -0.091 0.000 1.099 49 T CA -0.069 61.948 62.100 -0.137 0.000 1.063 49 T CB -0.446 68.353 68.868 -0.114 0.000 0.948 49 T HN -0.039 nan 8.240 nan 0.000 0.506 50 V N 1.485 121.359 119.914 -0.067 0.000 3.061 50 V HA 0.170 4.289 4.120 -0.001 0.000 0.306 50 V C 0.215 176.285 176.094 -0.039 0.000 1.118 50 V CA -1.275 61.000 62.300 -0.041 0.000 1.231 50 V CB 0.263 32.073 31.823 -0.020 0.000 0.956 50 V HN 0.200 nan 8.190 nan 0.000 0.499 51 D N 3.910 124.289 120.400 -0.035 0.000 2.383 51 D HA 0.262 4.901 4.640 -0.001 0.000 0.252 51 D C -1.554 174.731 176.300 -0.024 0.000 1.166 51 D CA -1.839 52.140 54.000 -0.036 0.000 0.879 51 D CB 1.463 42.244 40.800 -0.031 0.000 1.164 51 D HN 0.387 nan 8.370 nan 0.000 0.462 52 P HA -0.117 nan 4.420 nan 0.000 0.217 52 P C 0.822 178.115 177.300 -0.011 0.000 1.148 52 P CA 1.143 64.234 63.100 -0.015 0.000 0.828 52 P CB 0.151 31.837 31.700 -0.023 0.000 0.783 53 L N -1.775 119.439 121.223 -0.014 0.000 2.667 53 L HA 0.144 4.483 4.340 -0.001 0.000 0.232 53 L C 1.010 177.876 176.870 -0.008 0.000 1.138 53 L CA -0.246 54.589 54.840 -0.009 0.000 0.921 53 L CB -0.323 41.730 42.059 -0.010 0.000 1.180 53 L HN -0.021 nan 8.230 nan 0.000 0.487 54 S N -0.484 115.209 115.700 -0.011 0.000 2.632 54 S HA 0.311 4.780 4.470 -0.001 0.000 0.271 54 S C -1.535 173.059 174.600 -0.009 0.000 1.260 54 S CA -1.166 57.027 58.200 -0.012 0.000 1.010 54 S CB 0.904 64.095 63.200 -0.016 0.000 0.965 54 S HN -0.053 nan 8.310 nan 0.000 0.534 55 P HA 0.037 nan 4.420 nan 0.000 0.239 55 P C 0.413 177.708 177.300 -0.009 0.000 1.184 55 P CA 0.685 63.780 63.100 -0.009 0.000 0.760 55 P CB 0.063 31.756 31.700 -0.012 0.000 0.884 56 E N -0.230 119.965 120.200 -0.010 0.000 2.299 56 E HA -0.002 4.347 4.350 -0.001 0.000 0.193 56 E C 1.019 177.616 176.600 -0.006 0.000 0.998 56 E CA 0.084 56.478 56.400 -0.009 0.000 0.851 56 E CB -0.460 29.233 29.700 -0.012 0.000 0.795 56 E HN 0.388 nan 8.360 nan 0.000 0.492 57 N N 1.011 119.709 118.700 -0.004 0.000 2.453 57 N HA -0.000 4.739 4.740 -0.001 0.000 0.253 57 N C -0.647 174.860 175.510 -0.006 0.000 1.252 57 N CA 0.162 53.213 53.050 0.001 0.000 0.917 57 N CB 0.401 38.889 38.487 0.001 0.000 1.117 57 N HN -0.129 nan 8.380 nan 0.000 0.442 58 K N 2.002 122.393 120.400 -0.014 0.000 2.316 58 K HA 0.391 4.711 4.320 -0.001 0.000 0.251 58 K C -1.240 175.338 176.600 -0.036 0.000 0.934 58 K CA -0.824 55.447 56.287 -0.026 0.000 0.802 58 K CB 2.032 34.509 32.500 -0.039 0.000 1.171 58 K HN 0.317 nan 8.250 nan 0.000 0.426 59 L N 4.011 125.217 121.223 -0.028 0.000 2.305 59 L HA 0.499 4.838 4.340 -0.001 0.000 0.284 59 L C -1.284 175.569 176.870 -0.029 0.000 1.013 59 L CA -0.299 54.526 54.840 -0.025 0.000 0.819 59 L CB 0.917 42.973 42.059 -0.004 0.000 1.227 59 L HN 0.556 nan 8.230 nan 0.000 0.417 60 I N 6.432 126.977 120.570 -0.043 0.000 2.411 60 I HA 0.336 4.506 4.170 -0.001 0.000 0.284 60 I C -0.876 175.246 176.117 0.008 0.000 1.012 60 I CA -0.507 60.764 61.300 -0.048 0.000 1.119 60 I CB 1.612 39.545 38.000 -0.113 0.000 1.261 60 I HN 0.454 nan 8.210 nan 0.000 0.448 61 I N 6.267 126.870 120.570 0.055 0.000 2.312 61 I HA 0.547 4.716 4.170 -0.001 0.000 0.290 61 I C 0.203 176.400 176.117 0.134 0.000 1.008 61 I CA 0.152 61.545 61.300 0.156 0.000 1.226 61 I CB 1.441 39.546 38.000 0.175 0.000 1.371 61 I HN 0.609 nan 8.210 nan 0.000 0.468 62 A N 5.145 128.074 122.820 0.182 0.000 2.398 62 A HA 0.925 5.244 4.320 -0.001 0.000 0.301 62 A C -0.362 177.334 177.584 0.186 0.000 1.041 62 A CA -0.537 51.577 52.037 0.127 0.000 0.711 62 A CB 1.186 20.207 19.000 0.035 0.000 1.240 62 A HN 0.719 nan 8.150 nan 0.000 0.420 63 A N 1.320 124.227 122.820 0.145 0.000 2.246 63 A HA 0.868 5.187 4.320 -0.001 0.000 0.291 63 A C 0.670 178.324 177.584 0.116 0.000 1.103 63 A CA 0.133 52.254 52.037 0.139 0.000 0.844 63 A CB 0.443 19.482 19.000 0.065 0.000 1.136 63 A HN 1.883 nan 8.150 nan 0.000 0.500 64 G N -1.893 106.961 108.800 0.090 0.000 2.644 64 G HA2 0.564 4.523 3.960 -0.001 0.000 0.307 64 G HA3 0.564 4.523 3.960 -0.001 0.000 0.307 64 G C -1.867 173.060 174.900 0.044 0.000 1.250 64 G CA -1.113 44.030 45.100 0.072 0.000 0.996 64 G HN 0.388 nan 8.290 nan 0.000 0.489 65 P HA -0.100 nan 4.420 nan 0.000 0.216 65 P C 1.477 178.733 177.300 -0.073 0.000 1.150 65 P CA 1.036 64.108 63.100 -0.046 0.000 0.843 65 P CB 0.296 31.942 31.700 -0.091 0.000 0.787 66 L N -1.129 120.077 121.223 -0.027 0.000 2.592 66 L HA 0.099 4.438 4.340 -0.001 0.000 0.227 66 L C 0.591 177.498 176.870 0.061 0.000 1.127 66 L CA 0.143 54.996 54.840 0.021 0.000 0.884 66 L CB -0.849 41.250 42.059 0.066 0.000 1.065 66 L HN -0.124 nan 8.230 nan 0.000 0.457 67 T N 0.740 115.310 114.554 0.027 0.000 2.834 67 T HA 0.341 4.690 4.350 -0.001 0.000 0.298 67 T C 1.130 175.798 174.700 -0.055 0.000 0.966 67 T CA 0.693 62.799 62.100 0.010 0.000 1.141 67 T CB 1.049 69.912 68.868 -0.007 0.000 0.905 67 T HN 0.515 nan 8.240 nan 0.000 0.535 68 G N 2.720 111.477 108.800 -0.071 0.000 2.141 68 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.231 68 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.231 68 G C 0.337 175.413 174.900 0.293 0.000 0.984 68 G CA 0.199 45.199 45.100 -0.166 0.000 0.660 68 G HN 1.115 nan 8.290 nan 0.000 0.525 69 T N -2.909 111.850 114.554 0.341 0.000 2.844 69 T HA 0.713 5.063 4.350 -0.001 0.000 0.274 69 T C 1.528 176.465 174.700 0.395 0.000 0.991 69 T CA 0.793 63.102 62.100 0.348 0.000 0.983 69 T CB 1.399 70.424 68.868 0.261 0.000 1.310 69 T HN 1.047 nan 8.240 nan 0.000 0.596 70 S N -0.618 115.294 115.700 0.353 0.000 2.605 70 S HA 0.451 4.920 4.470 -0.001 0.000 0.217 70 S C 1.044 175.663 174.600 0.031 0.000 0.958 70 S CA -0.290 58.002 58.200 0.153 0.000 0.919 70 S CB -0.911 62.343 63.200 0.088 0.000 0.780 70 S HN 1.104 nan 8.310 nan 0.000 0.507 71 A N 3.045 125.950 122.820 0.141 0.000 2.540 71 A HA 0.411 4.730 4.320 -0.001 0.000 0.239 71 A C -2.444 175.150 177.584 0.016 0.000 1.061 71 A CA -1.091 50.970 52.037 0.039 0.000 0.758 71 A CB -0.574 18.559 19.000 0.222 0.000 0.991 71 A HN 0.294 nan 8.150 nan 0.000 0.502 72 P HA 0.137 nan 4.420 nan 0.000 0.258 72 P C 0.402 177.723 177.300 0.035 0.000 1.187 72 P CA 1.112 64.206 63.100 -0.010 0.000 0.767 72 P CB 0.417 32.109 31.700 -0.013 0.000 0.770 73 T N 1.746 116.315 114.554 0.025 0.000 5.658 73 T HA -0.136 4.213 4.350 -0.001 0.000 0.271 73 T C 0.867 175.611 174.700 0.073 0.000 2.170 73 T CA 1.098 63.224 62.100 0.042 0.000 3.657 73 T CB -1.665 67.237 68.868 0.056 0.000 0.929 73 T HN 0.700 nan 8.240 nan 0.000 1.134 74 G N 0.515 109.382 108.800 0.111 0.000 3.102 74 G HA2 0.466 4.425 3.960 -0.001 0.000 0.264 74 G HA3 0.466 4.425 3.960 -0.001 0.000 0.264 74 G C 0.742 175.787 174.900 0.242 0.000 0.788 74 G CA 0.414 45.611 45.100 0.163 0.000 2.029 74 G HN 0.774 nan 8.290 nan 0.000 0.608 75 G N 0.675 109.577 108.800 0.171 0.000 4.765 75 G HA2 0.199 4.158 3.960 -0.001 0.000 0.276 75 G HA3 0.199 4.158 3.960 -0.001 0.000 0.276 75 G C 0.441 175.397 174.900 0.095 0.000 0.986 75 G CA -0.545 44.640 45.100 0.141 0.000 0.755 75 G HN 0.288 nan 8.290 nan 0.000 0.391 76 R N 0.393 120.946 120.500 0.088 0.000 2.536 76 R HA 0.632 4.971 4.340 -0.001 0.000 0.279 76 R C -0.837 175.564 176.300 0.169 0.000 1.001 76 R CA -0.523 55.629 56.100 0.086 0.000 1.027 76 R CB 1.299 31.598 30.300 -0.003 0.000 1.096 76 R HN 0.433 nan 8.270 nan 0.000 0.502 77 Y N -1.635 118.677 120.300 0.020 0.000 2.655 77 Y HA 0.525 5.074 4.550 -0.001 0.000 0.336 77 Y C -1.140 174.775 175.900 0.026 0.000 1.154 77 Y CA -1.166 56.956 58.100 0.036 0.000 1.055 77 Y CB 1.563 40.073 38.460 0.084 0.000 1.295 77 Y HN 0.351 nan 8.280 nan 0.000 0.465 78 N N 0.384 119.108 118.700 0.040 0.000 2.265 78 N HA 0.640 5.380 4.740 -0.001 0.000 0.300 78 N C -1.862 173.677 175.510 0.048 0.000 1.148 78 N CA -0.741 52.262 53.050 -0.078 0.000 0.772 78 N CB 2.910 41.376 38.487 -0.036 0.000 1.434 78 N HN 0.485 nan 8.380 nan 0.000 0.481 79 V N 1.666 121.564 119.914 -0.026 0.000 2.487 79 V HA 0.462 4.581 4.120 -0.001 0.000 0.298 79 V C -0.289 175.784 176.094 -0.036 0.000 1.028 79 V CA -0.644 61.670 62.300 0.022 0.000 0.860 79 V CB 1.789 33.625 31.823 0.022 0.000 0.991 79 V HN 0.336 nan 8.190 nan 0.000 0.427 80 V N 3.953 123.835 119.914 -0.053 0.000 2.656 80 V HA 0.882 5.002 4.120 -0.001 0.000 0.307 80 V C -0.124 175.898 176.094 -0.121 0.000 1.051 80 V CA -0.147 62.089 62.300 -0.108 0.000 0.893 80 V CB 2.121 33.855 31.823 -0.149 0.000 0.999 80 V HN 0.999 nan 8.190 nan 0.000 0.426 81 T N 2.840 117.312 114.554 -0.138 0.000 2.663 81 T HA 0.320 4.669 4.350 -0.001 0.000 0.305 81 T C -1.651 172.980 174.700 -0.115 0.000 1.660 81 T CA -0.702 61.327 62.100 -0.119 0.000 0.976 81 T CB 1.723 70.555 68.868 -0.060 0.000 1.705 81 T HN 0.730 nan 8.240 nan 0.000 0.494 82 K N 1.575 121.949 120.400 -0.044 0.000 2.234 82 K HA 0.511 4.830 4.320 -0.001 0.000 0.282 82 K C -0.137 176.472 176.600 0.015 0.000 1.039 82 K CA -0.307 56.002 56.287 0.037 0.000 0.928 82 K CB 0.895 33.479 32.500 0.141 0.000 1.039 82 K HN 0.515 nan 8.250 nan 0.000 0.470 83 S N 4.644 120.356 115.700 0.020 0.000 2.528 83 S HA 0.202 4.672 4.470 -0.001 0.000 0.277 83 S C -1.893 172.699 174.600 -0.012 0.000 1.297 83 S CA -1.460 56.746 58.200 0.010 0.000 1.052 83 S CB 0.895 64.114 63.200 0.032 0.000 0.917 83 S HN 0.515 nan 8.310 nan 0.000 0.492 84 P HA 0.037 nan 4.420 nan 0.000 0.224 84 P C 1.286 178.581 177.300 -0.008 0.000 1.157 84 P CA 0.121 63.212 63.100 -0.015 0.000 0.799 84 P CB 0.150 31.844 31.700 -0.009 0.000 0.809 85 L N -0.049 121.186 121.223 0.019 0.000 2.049 85 L HA -0.036 4.303 4.340 -0.001 0.000 0.203 85 L C 2.082 178.958 176.870 0.009 0.000 1.074 85 L CA 2.585 57.453 54.840 0.048 0.000 0.749 85 L CB -1.585 40.534 42.059 0.100 0.000 0.907 85 L HN 0.017 nan 8.230 nan 0.000 0.439 86 T N -4.467 110.084 114.554 -0.005 0.000 3.040 86 T HA 0.300 4.650 4.350 -0.001 0.000 0.252 86 T C 1.529 176.061 174.700 -0.281 0.000 1.064 86 T CA 0.494 62.571 62.100 -0.038 0.000 1.110 86 T CB 0.045 68.984 68.868 0.118 0.000 0.921 86 T HN 0.650 nan 8.240 nan 0.000 0.480 87 G N 0.772 109.412 108.800 -0.265 0.000 2.176 87 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.253 87 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.253 87 G C -0.113 174.461 174.900 -0.543 0.000 0.979 87 G CA 0.210 45.050 45.100 -0.433 0.000 0.641 87 G HN 0.533 nan 8.290 nan 0.000 0.530 88 F N -0.835 119.142 119.950 0.045 0.000 2.671 88 F HA 0.819 5.346 4.527 -0.001 0.000 0.373 88 F C 0.687 176.543 175.800 0.094 0.000 1.122 88 F CA -1.790 56.266 58.000 0.093 0.000 1.082 88 F CB 0.223 39.247 39.000 0.040 0.000 1.399 88 F HN 0.017 nan 8.300 nan 0.000 0.509 89 I N 0.347 121.103 120.570 0.309 0.000 2.754 89 I HA 0.306 4.475 4.170 -0.001 0.000 0.285 89 I C 0.066 176.163 176.117 -0.034 0.000 1.166 89 I CA 0.852 62.120 61.300 -0.054 0.000 1.417 89 I CB 0.651 38.476 38.000 -0.293 0.000 1.382 89 I HN 0.488 nan 8.210 nan 0.000 0.588 90 T N 8.532 123.029 114.554 -0.095 0.000 2.952 90 T HA 0.619 4.969 4.350 -0.001 0.000 0.305 90 T C -0.994 173.653 174.700 -0.089 0.000 1.064 90 T CA -0.932 61.135 62.100 -0.055 0.000 1.008 90 T CB 0.575 69.437 68.868 -0.011 0.000 1.078 90 T HN 0.595 nan 8.240 nan 0.000 0.459 91 M N 3.799 123.355 119.600 -0.072 0.000 2.142 91 M HA 0.813 5.292 4.480 -0.001 0.000 0.299 91 M C -1.181 175.084 176.300 -0.058 0.000 0.960 91 M CA -1.126 54.129 55.300 -0.075 0.000 0.920 91 M CB 0.492 33.045 32.600 -0.078 0.000 1.541 91 M HN 0.568 nan 8.290 nan 0.000 0.429 92 A N 3.909 126.687 122.820 -0.069 0.000 2.287 92 A HA 0.636 4.955 4.320 -0.001 0.000 0.317 92 A C -0.645 176.848 177.584 -0.152 0.000 1.220 92 A CA -0.677 51.311 52.037 -0.081 0.000 0.835 92 A CB 0.693 19.655 19.000 -0.063 0.000 1.180 92 A HN 0.916 nan 8.150 nan 0.000 0.500 93 N N 1.320 119.924 118.700 -0.160 0.000 2.473 93 N HA 0.529 5.268 4.740 -0.001 0.000 0.291 93 N C -0.962 174.373 175.510 -0.292 0.000 1.083 93 N CA 0.207 53.115 53.050 -0.236 0.000 0.951 93 N CB 1.584 39.970 38.487 -0.167 0.000 1.164 93 N HN 0.545 nan 8.380 nan 0.000 0.480 94 S N 0.448 115.874 115.700 -0.456 0.000 2.541 94 S HA 0.734 5.203 4.470 -0.001 0.000 0.271 94 S C -0.055 174.434 174.600 -0.184 0.000 1.133 94 S CA -0.540 57.452 58.200 -0.348 0.000 0.876 94 S CB 1.211 64.148 63.200 -0.439 0.000 1.105 94 S HN 0.696 nan 8.310 nan 0.000 0.470 95 G N 1.397 110.186 108.800 -0.018 0.000 3.134 95 G HA2 0.745 4.704 3.960 -0.001 0.000 0.158 95 G HA3 0.745 4.704 3.960 -0.001 0.000 0.158 95 G C 0.810 175.793 174.900 0.139 0.000 1.334 95 G CA 0.119 45.251 45.100 0.053 0.000 1.001 95 G HN 1.844 nan 8.290 nan 0.000 0.600 96 G N -1.127 107.716 108.800 0.072 0.000 2.554 96 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.253 96 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.253 96 G C 0.365 175.182 174.900 -0.138 0.000 1.172 96 G CA 0.878 46.051 45.100 0.122 0.000 0.950 96 G HN 0.994 nan 8.290 nan 0.000 0.557 97 Y N -1.271 119.167 120.300 0.229 0.000 2.515 97 Y HA 0.417 4.966 4.550 -0.001 0.000 0.267 97 Y C 1.866 177.818 175.900 0.086 0.000 1.058 97 Y CA 0.477 58.679 58.100 0.170 0.000 1.231 97 Y CB -0.076 38.497 38.460 0.189 0.000 1.350 97 Y HN 0.457 nan 8.280 nan 0.000 0.554 98 F N 1.088 121.107 119.950 0.116 0.000 2.095 98 F HA -0.072 4.454 4.527 -0.001 0.000 0.298 98 F C 2.234 177.909 175.800 -0.210 0.000 1.104 98 F CA 2.194 60.170 58.000 -0.040 0.000 1.232 98 F CB -0.568 38.389 39.000 -0.071 0.000 0.987 98 F HN 0.037 nan 8.300 nan 0.000 0.475 99 G N -0.213 108.523 108.800 -0.107 0.000 2.476 99 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.218 99 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.218 99 G C 1.794 176.463 174.900 -0.385 0.000 1.164 99 G CA 1.039 45.999 45.100 -0.233 0.000 0.768 99 G HN 0.645 nan 8.290 nan 0.000 0.560 100 A N 0.457 122.987 122.820 -0.483 0.000 1.898 100 A HA 0.045 4.364 4.320 -0.001 0.000 0.216 100 A C 2.183 179.050 177.584 -1.195 0.000 1.181 100 A CA 2.126 53.593 52.037 -0.951 0.000 0.620 100 A CB -0.407 17.773 19.000 -1.367 0.000 0.819 100 A HN 0.364 nan 8.150 nan 0.000 0.442 101 E N -0.277 119.507 120.200 -0.693 0.000 2.085 101 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 101 E C 1.779 178.160 176.600 -0.365 0.000 0.994 101 E CA 1.271 57.441 56.400 -0.383 0.000 0.801 101 E CB -0.379 29.212 29.700 -0.183 0.000 0.743 101 E HN 0.453 nan 8.360 nan 0.000 0.453 102 L N 0.480 121.392 121.223 -0.518 0.000 2.083 102 L HA -0.149 4.191 4.340 -0.001 0.000 0.209 102 L C 1.775 178.558 176.870 -0.146 0.000 1.083 102 L CA 1.790 56.411 54.840 -0.364 0.000 0.752 102 L CB -0.243 41.519 42.059 -0.494 0.000 0.899 102 L HN -0.038 nan 8.230 nan 0.000 0.433 103 K N -0.858 119.424 120.400 -0.197 0.000 2.103 103 K HA -0.062 4.258 4.320 -0.001 0.000 0.204 103 K C 2.046 178.811 176.600 0.275 0.000 1.052 103 K CA 1.110 57.453 56.287 0.094 0.000 0.945 103 K CB -0.494 31.990 32.500 -0.027 0.000 0.722 103 K HN 0.276 nan 8.250 nan 0.000 0.443 104 F N 1.105 121.102 119.950 0.078 0.000 2.293 104 F HA -0.043 4.483 4.527 -0.001 0.000 0.300 104 F C 2.239 178.009 175.800 -0.050 0.000 1.086 104 F CA 0.440 58.479 58.000 0.064 0.000 1.375 104 F CB -1.136 37.868 39.000 0.007 0.000 1.045 104 F HN -0.035 nan 8.300 nan 0.000 0.516 105 A N -0.536 122.311 122.820 0.045 0.000 2.167 105 A HA 0.369 4.688 4.320 -0.001 0.000 0.214 105 A C 2.015 179.268 177.584 -0.550 0.000 1.151 105 A CA 1.022 52.997 52.037 -0.105 0.000 0.735 105 A CB -0.994 18.038 19.000 0.053 0.000 0.802 105 A HN 0.619 nan 8.150 nan 0.000 0.467 106 G N -2.750 105.587 108.800 -0.771 0.000 2.131 106 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.201 106 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.201 106 G C -0.257 173.639 174.900 -1.673 0.000 1.000 106 G CA 0.202 44.206 45.100 -1.827 0.000 0.680 106 G HN 0.485 nan 8.290 nan 0.000 0.514 107 Y N -0.487 119.527 120.300 -0.476 0.000 2.536 107 Y HA 0.620 5.169 4.550 -0.001 0.000 0.347 107 Y C 0.723 176.695 175.900 0.120 0.000 1.000 107 Y CA -1.111 56.910 58.100 -0.133 0.000 1.051 107 Y CB 1.511 39.917 38.460 -0.089 0.000 1.259 107 Y HN -0.038 nan 8.280 nan 0.000 0.468 108 D N 0.604 121.250 120.400 0.410 0.000 2.324 108 D HA 0.351 4.991 4.640 -0.001 0.000 0.212 108 D C 0.249 176.695 176.300 0.243 0.000 0.984 108 D CA 0.798 55.013 54.000 0.360 0.000 0.885 108 D CB 0.685 41.750 40.800 0.442 0.000 0.996 108 D HN 0.528 nan 8.370 nan 0.000 0.505 109 A N -0.092 122.884 122.820 0.259 0.000 2.588 109 A HA 0.718 5.038 4.320 -0.001 0.000 0.290 109 A C -1.676 175.989 177.584 0.134 0.000 1.136 109 A CA -0.593 51.523 52.037 0.131 0.000 0.681 109 A CB 1.257 20.251 19.000 -0.010 0.000 1.282 109 A HN -0.005 nan 8.150 nan 0.000 0.421 110 I N 0.640 121.246 120.570 0.060 0.000 2.512 110 I HA 0.403 4.572 4.170 -0.001 0.000 0.287 110 I C -1.198 174.934 176.117 0.025 0.000 1.069 110 I CA -0.808 60.520 61.300 0.047 0.000 1.056 110 I CB 2.103 40.113 38.000 0.018 0.000 1.229 110 I HN 0.279 nan 8.210 nan 0.000 0.429 111 V N 7.010 126.953 119.914 0.048 0.000 2.328 111 V HA 0.319 4.438 4.120 -0.001 0.000 0.278 111 V C 0.035 176.142 176.094 0.023 0.000 1.021 111 V CA -0.630 61.676 62.300 0.010 0.000 0.838 111 V CB 1.732 33.566 31.823 0.018 0.000 0.999 111 V HN 0.406 nan 8.190 nan 0.000 0.447 112 V N 5.546 125.464 119.914 0.007 0.000 2.407 112 V HA 0.473 4.592 4.120 -0.001 0.000 0.278 112 V C 0.105 176.200 176.094 0.002 0.000 1.037 112 V CA -0.470 61.834 62.300 0.007 0.000 0.900 112 V CB 1.306 33.136 31.823 0.012 0.000 0.983 112 V HN 0.918 nan 8.190 nan 0.000 0.459 113 E N 2.443 122.645 120.200 0.002 0.000 2.320 113 E HA 0.741 5.090 4.350 -0.001 0.000 0.264 113 E C 0.491 177.089 176.600 -0.004 0.000 0.923 113 E CA -0.157 56.242 56.400 -0.001 0.000 0.796 113 E CB 2.185 31.886 29.700 0.002 0.000 1.262 113 E HN 0.952 nan 8.360 nan 0.000 0.428 114 G N 1.527 110.323 108.800 -0.006 0.000 2.562 114 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.250 114 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.250 114 G C -0.623 174.271 174.900 -0.011 0.000 1.269 114 G CA 0.385 45.479 45.100 -0.010 0.000 0.919 114 G HN 0.617 nan 8.290 nan 0.000 0.574 115 K N -0.758 119.632 120.400 -0.017 0.000 2.561 115 K HA 0.648 4.967 4.320 -0.001 0.000 0.254 115 K C -0.027 176.551 176.600 -0.036 0.000 0.942 115 K CA -0.068 56.206 56.287 -0.022 0.000 0.818 115 K CB 1.309 33.796 32.500 -0.022 0.000 1.306 115 K HN 1.780 nan 8.250 nan 0.000 0.435 116 A N 2.491 125.282 122.820 -0.048 0.000 2.407 116 A HA 0.155 4.474 4.320 -0.001 0.000 0.248 116 A C 0.713 178.244 177.584 -0.088 0.000 1.082 116 A CA -0.078 51.919 52.037 -0.066 0.000 0.785 116 A CB 0.747 19.701 19.000 -0.076 0.000 1.020 116 A HN 0.943 nan 8.150 nan 0.000 0.489 117 E N 0.247 120.397 120.200 -0.083 0.000 2.150 117 E HA -0.008 4.342 4.350 -0.001 0.000 0.193 117 E C 0.201 176.724 176.600 -0.129 0.000 0.985 117 E CA 1.520 57.868 56.400 -0.088 0.000 0.814 117 E CB 0.010 29.669 29.700 -0.068 0.000 0.752 117 E HN 0.586 nan 8.360 nan 0.000 0.466 118 K N -1.409 118.897 120.400 -0.156 0.000 2.509 118 K HA 0.414 4.733 4.320 -0.001 0.000 0.266 118 K C -2.802 173.623 176.600 -0.292 0.000 0.987 118 K CA -2.544 53.605 56.287 -0.230 0.000 0.868 118 K CB 1.946 34.348 32.500 -0.163 0.000 1.421 118 K HN -0.283 nan 8.250 nan 0.000 0.444 119 P HA -0.023 nan 4.420 nan 0.000 0.264 119 P C -1.151 176.070 177.300 -0.131 0.000 1.193 119 P CA -0.218 62.604 63.100 -0.462 0.000 0.763 119 P CB 0.436 31.746 31.700 -0.650 0.000 0.810 120 V N 1.760 121.657 119.914 -0.028 0.000 3.181 120 V HA 0.833 4.952 4.120 -0.001 0.000 0.308 120 V C -1.383 174.814 176.094 0.172 0.000 1.214 120 V CA -1.206 61.120 62.300 0.042 0.000 1.053 120 V CB 2.035 33.842 31.823 -0.027 0.000 1.069 120 V HN 0.526 nan 8.190 nan 0.000 0.441 121 Y N -0.478 119.846 120.300 0.039 0.000 2.524 121 Y HA 0.857 5.406 4.550 -0.001 0.000 0.347 121 Y C -1.067 174.876 175.900 0.070 0.000 1.005 121 Y CA -1.546 56.589 58.100 0.058 0.000 1.025 121 Y CB 1.630 40.123 38.460 0.056 0.000 1.275 121 Y HN 0.681 nan 8.280 nan 0.000 0.460 122 I N 4.235 124.921 120.570 0.193 0.000 2.365 122 I HA 0.210 4.379 4.170 -0.001 0.000 0.291 122 I C -1.158 175.095 176.117 0.227 0.000 1.004 122 I CA -0.807 60.546 61.300 0.088 0.000 1.311 122 I CB 0.991 39.025 38.000 0.058 0.000 1.401 122 I HN 0.678 nan 8.210 nan 0.000 0.491 123 Y N 7.727 128.008 120.300 -0.032 0.000 2.341 123 Y HA 0.675 5.224 4.550 -0.001 0.000 0.338 123 Y C -0.930 174.955 175.900 -0.025 0.000 0.965 123 Y CA -1.201 56.929 58.100 0.050 0.000 1.108 123 Y CB 1.071 39.565 38.460 0.057 0.000 1.180 123 Y HN 0.341 nan 8.280 nan 0.000 0.458 124 I N 6.567 126.834 120.570 -0.506 0.000 2.533 124 I HA 0.410 4.579 4.170 -0.001 0.000 0.290 124 I C -0.917 174.876 176.117 -0.539 0.000 1.056 124 I CA -0.931 60.082 61.300 -0.478 0.000 1.057 124 I CB 2.138 39.990 38.000 -0.247 0.000 1.240 124 I HN 0.510 nan 8.210 nan 0.000 0.423 125 K N 6.405 126.582 120.400 -0.371 0.000 2.701 125 K HA 0.235 4.554 4.320 -0.001 0.000 0.212 125 K C -0.760 175.825 176.600 -0.026 0.000 1.035 125 K CA -0.282 55.902 56.287 -0.172 0.000 1.048 125 K CB 0.525 32.952 32.500 -0.122 0.000 1.234 125 K HN 0.736 nan 8.250 nan 0.000 0.540 126 D N 1.211 121.609 120.400 -0.003 0.000 3.996 126 D HA -0.263 4.377 4.640 -0.001 0.000 0.140 126 D C 0.718 177.049 176.300 0.051 0.000 0.829 126 D CA 1.923 55.910 54.000 -0.021 0.000 1.111 126 D CB -0.280 40.491 40.800 -0.048 0.000 0.516 126 D HN 0.718 nan 8.370 nan 0.000 0.517 127 E N 0.808 121.018 120.200 0.016 0.000 2.347 127 E HA -0.104 4.245 4.350 -0.001 0.000 0.196 127 E C 1.024 177.677 176.600 0.087 0.000 1.008 127 E CA 0.617 57.052 56.400 0.059 0.000 0.852 127 E CB -0.420 29.284 29.700 0.006 0.000 0.783 127 E HN 0.549 nan 8.360 nan 0.000 0.505 128 H N 1.038 120.088 119.070 -0.034 0.000 2.864 128 H HA 0.310 4.865 4.556 -0.001 0.000 0.281 128 H C -0.560 174.694 175.328 -0.124 0.000 1.093 128 H CA -0.142 55.868 56.048 -0.063 0.000 1.453 128 H CB -0.183 29.544 29.762 -0.059 0.000 1.462 128 H HN -0.115 nan 8.280 nan 0.000 0.480 129 I N 4.925 125.191 120.570 -0.507 0.000 2.389 129 I HA 0.293 4.462 4.170 -0.001 0.000 0.288 129 I C -0.332 175.490 176.117 -0.491 0.000 0.999 129 I CA -0.551 60.477 61.300 -0.454 0.000 1.129 129 I CB 1.632 39.457 38.000 -0.291 0.000 1.288 129 I HN 0.616 nan 8.210 nan 0.000 0.444 130 E N 6.916 126.882 120.200 -0.390 0.000 2.308 130 E HA 0.495 4.844 4.350 -0.001 0.000 0.275 130 E C -1.505 175.016 176.600 -0.130 0.000 0.890 130 E CA -0.686 55.580 56.400 -0.223 0.000 0.754 130 E CB 2.368 31.987 29.700 -0.135 0.000 1.207 130 E HN 0.536 nan 8.360 nan 0.000 0.426 131 I N 4.793 125.290 120.570 -0.122 0.000 2.297 131 I HA 0.342 4.511 4.170 -0.001 0.000 0.291 131 I C 0.155 176.166 176.117 -0.177 0.000 1.033 131 I CA -0.320 60.899 61.300 -0.134 0.000 1.253 131 I CB 0.765 38.711 38.000 -0.092 0.000 1.396 131 I HN 0.307 nan 8.210 nan 0.000 0.476 132 R N 3.440 123.733 120.500 -0.345 0.000 2.720 132 R HA 0.364 4.703 4.340 -0.001 0.000 0.272 132 R C -0.760 175.392 176.300 -0.247 0.000 0.991 132 R CA -1.002 54.871 56.100 -0.379 0.000 1.010 132 R CB 1.375 31.268 30.300 -0.678 0.000 1.141 132 R HN 0.462 nan 8.270 nan 0.000 0.494 133 D N 0.211 120.583 120.400 -0.048 0.000 2.424 133 D HA 0.185 4.824 4.640 -0.001 0.000 0.244 133 D C -0.204 176.265 176.300 0.282 0.000 1.134 133 D CA 0.145 54.202 54.000 0.094 0.000 0.881 133 D CB 1.053 41.922 40.800 0.114 0.000 1.191 133 D HN 0.597 nan 8.370 nan 0.000 0.445 134 A N 2.433 125.367 122.820 0.190 0.000 2.610 134 A HA 0.181 4.500 4.320 -0.001 0.000 0.291 134 A C 1.563 179.146 177.584 -0.002 0.000 1.116 134 A CA -0.378 51.709 52.037 0.082 0.000 0.963 134 A CB 0.077 19.211 19.000 0.223 0.000 1.220 134 A HN 0.458 nan 8.150 nan 0.000 0.530 135 S N 0.802 116.570 115.700 0.113 0.000 2.440 135 S HA -0.144 4.325 4.470 -0.001 0.000 0.238 135 S C 1.754 176.461 174.600 0.179 0.000 1.010 135 S CA 1.569 59.830 58.200 0.101 0.000 0.972 135 S CB -0.450 62.803 63.200 0.088 0.000 0.774 135 S HN 0.922 nan 8.310 nan 0.000 0.501 136 H N -0.115 119.018 119.070 0.104 0.000 2.595 136 H HA 0.273 4.828 4.556 -0.001 0.000 0.265 136 H C 1.574 176.960 175.328 0.097 0.000 0.953 136 H CA 0.240 56.341 56.048 0.090 0.000 1.197 136 H CB -0.237 29.563 29.762 0.062 0.000 1.438 136 H HN 0.389 nan 8.280 nan 0.000 0.531 137 I N -0.717 119.667 120.570 -0.309 0.000 2.867 137 I HA -0.055 4.115 4.170 -0.001 0.000 0.265 137 I C 1.152 177.273 176.117 0.007 0.000 1.162 137 I CA -0.107 61.089 61.300 -0.173 0.000 1.471 137 I CB -0.919 36.928 38.000 -0.254 0.000 1.123 137 I HN 0.176 nan 8.210 nan 0.000 0.440 138 W N 4.187 125.409 121.300 -0.129 0.000 2.443 138 W HA 0.150 4.809 4.660 -0.001 0.000 0.335 138 W C 1.055 177.539 176.519 -0.057 0.000 1.382 138 W CA 1.782 59.081 57.345 -0.075 0.000 1.305 138 W CB 0.406 29.838 29.460 -0.046 0.000 1.283 138 W HN 0.468 nan 8.180 nan 0.000 0.567 139 G N 3.602 112.212 108.800 -0.316 0.000 2.218 139 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.216 139 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.216 139 G C 0.129 174.925 174.900 -0.173 0.000 0.994 139 G CA -0.249 44.709 45.100 -0.238 0.000 0.637 139 G HN 0.445 nan 8.290 nan 0.000 0.505 140 K N 0.706 121.014 120.400 -0.153 0.000 2.098 140 K HA 0.566 4.885 4.320 -0.001 0.000 0.261 140 K C 0.409 176.919 176.600 -0.151 0.000 0.987 140 K CA -0.612 55.602 56.287 -0.122 0.000 0.916 140 K CB 1.142 33.589 32.500 -0.089 0.000 1.039 140 K HN 0.102 nan 8.250 nan 0.000 0.455 141 K N 0.357 120.682 120.400 -0.126 0.000 2.180 141 K HA 0.003 4.322 4.320 -0.001 0.000 0.251 141 K C 1.309 177.825 176.600 -0.140 0.000 1.014 141 K CA -0.237 55.966 56.287 -0.139 0.000 0.913 141 K CB 0.602 33.029 32.500 -0.121 0.000 1.008 141 K HN 0.259 nan 8.250 nan 0.000 0.490 142 V N 0.935 120.754 119.914 -0.158 0.000 2.278 142 V HA -0.336 3.783 4.120 -0.001 0.000 0.251 142 V C 2.231 178.247 176.094 -0.129 0.000 1.062 142 V CA 2.424 64.631 62.300 -0.155 0.000 1.038 142 V CB -0.834 30.878 31.823 -0.186 0.000 0.646 142 V HN 0.997 nan 8.190 nan 0.000 0.447 143 S N 0.206 115.832 115.700 -0.122 0.000 2.356 143 S HA -0.276 4.194 4.470 -0.001 0.000 0.223 143 S C 1.810 176.377 174.600 -0.054 0.000 1.032 143 S CA 1.815 59.971 58.200 -0.073 0.000 1.005 143 S CB -0.596 62.582 63.200 -0.037 0.000 0.867 143 S HN 0.747 nan 8.310 nan 0.000 0.449 144 E N 0.924 121.088 120.200 -0.060 0.000 2.077 144 E HA -0.085 4.264 4.350 -0.001 0.000 0.193 144 E C 2.283 178.842 176.600 -0.069 0.000 0.989 144 E CA 1.562 57.931 56.400 -0.050 0.000 0.800 144 E CB -0.625 29.046 29.700 -0.049 0.000 0.746 144 E HN 0.574 nan 8.360 nan 0.000 0.452 145 T N 1.451 115.947 114.554 -0.096 0.000 2.684 145 T HA -0.190 4.160 4.350 -0.001 0.000 0.267 145 T C 1.684 176.309 174.700 -0.126 0.000 1.036 145 T CA 1.468 63.492 62.100 -0.126 0.000 1.148 145 T CB -0.224 68.559 68.868 -0.141 0.000 0.863 145 T HN 0.239 nan 8.240 nan 0.000 0.436 146 E N 0.947 121.091 120.200 -0.093 0.000 2.072 146 E HA -0.044 4.305 4.350 -0.001 0.000 0.191 146 E C 2.638 179.209 176.600 -0.048 0.000 0.985 146 E CA 0.954 57.314 56.400 -0.066 0.000 0.801 146 E CB -0.236 29.442 29.700 -0.037 0.000 0.750 146 E HN 0.484 nan 8.360 nan 0.000 0.452 147 A N 1.138 123.936 122.820 -0.037 0.000 1.902 147 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 147 A C 2.413 179.981 177.584 -0.025 0.000 1.181 147 A CA 1.977 54.002 52.037 -0.019 0.000 0.623 147 A CB -0.939 18.056 19.000 -0.009 0.000 0.818 147 A HN 0.174 nan 8.150 nan 0.000 0.443 148 T N 0.409 114.938 114.554 -0.041 0.000 2.708 148 T HA -0.106 4.244 4.350 -0.001 0.000 0.266 148 T C 1.799 176.465 174.700 -0.058 0.000 1.037 148 T CA 1.564 63.643 62.100 -0.034 0.000 1.146 148 T CB -0.422 68.421 68.868 -0.041 0.000 0.865 148 T HN 0.427 nan 8.240 nan 0.000 0.435 149 I N 0.560 121.052 120.570 -0.131 0.000 2.286 149 I HA -0.162 4.007 4.170 -0.001 0.000 0.248 149 I C 2.792 178.867 176.117 -0.070 0.000 1.115 149 I CA 1.269 62.461 61.300 -0.180 0.000 1.392 149 I CB -0.348 37.472 38.000 -0.301 0.000 1.065 149 I HN 0.149 nan 8.210 nan 0.000 0.418 150 R N 0.869 121.349 120.500 -0.034 0.000 2.092 150 R HA -0.126 4.213 4.340 -0.001 0.000 0.231 150 R C 2.253 178.554 176.300 0.001 0.000 1.119 150 R CA 1.105 57.206 56.100 0.001 0.000 0.970 150 R CB -0.131 30.179 30.300 0.016 0.000 0.864 150 R HN 0.367 nan 8.270 nan 0.000 0.440 151 K N 0.421 120.819 120.400 -0.002 0.000 2.097 151 K HA -0.126 4.193 4.320 -0.001 0.000 0.205 151 K C 1.925 178.528 176.600 0.005 0.000 1.050 151 K CA 1.163 57.453 56.287 0.005 0.000 0.938 151 K CB 0.052 32.558 32.500 0.009 0.000 0.718 151 K HN 0.233 nan 8.250 nan 0.000 0.442 152 E N 0.453 120.656 120.200 0.006 0.000 2.028 152 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 152 E C 1.916 178.501 176.600 -0.025 0.000 0.988 152 E CA 1.530 57.940 56.400 0.016 0.000 0.799 152 E CB 0.068 29.813 29.700 0.075 0.000 0.755 152 E HN 0.202 nan 8.360 nan 0.000 0.447 153 V N -1.867 118.003 119.914 -0.073 0.000 3.510 153 V HA 0.189 4.308 4.120 -0.001 0.000 0.270 153 V C 1.294 177.362 176.094 -0.043 0.000 1.201 153 V CA 0.833 63.037 62.300 -0.160 0.000 1.166 153 V CB -0.749 30.869 31.823 -0.342 0.000 0.825 153 V HN 0.371 nan 8.190 nan 0.000 0.484 154 G N 0.188 108.981 108.800 -0.011 0.000 2.225 154 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.267 154 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.267 154 G C 0.172 175.092 174.900 0.033 0.000 1.024 154 G CA 0.700 45.807 45.100 0.012 0.000 0.784 154 G HN 1.395 nan 8.290 nan 0.000 0.507 155 S N -1.126 114.601 115.700 0.045 0.000 2.614 155 S HA 0.587 5.056 4.470 -0.001 0.000 0.288 155 S C 0.739 175.378 174.600 0.066 0.000 1.137 155 S CA -0.441 57.800 58.200 0.069 0.000 0.992 155 S CB 1.390 64.658 63.200 0.114 0.000 1.026 155 S HN 0.145 nan 8.310 nan 0.000 0.486 156 E N 2.795 123.029 120.200 0.056 0.000 2.478 156 E HA 0.043 4.392 4.350 -0.001 0.000 0.194 156 E C 1.203 177.840 176.600 0.062 0.000 1.045 156 E CA 0.170 56.601 56.400 0.050 0.000 0.868 156 E CB 0.213 29.935 29.700 0.037 0.000 0.885 156 E HN 0.624 nan 8.360 nan 0.000 0.505 157 K N 1.273 121.720 120.400 0.078 0.000 2.314 157 K HA 0.007 4.326 4.320 -0.001 0.000 0.198 157 K C 0.655 177.327 176.600 0.120 0.000 1.045 157 K CA 0.127 56.468 56.287 0.091 0.000 0.988 157 K CB 0.377 32.932 32.500 0.090 0.000 0.783 157 K HN -0.066 nan 8.250 nan 0.000 0.484 158 V N 2.257 122.256 119.914 0.142 0.000 2.694 158 V HA 0.072 4.191 4.120 -0.001 0.000 0.306 158 V C -0.093 176.102 176.094 0.168 0.000 1.054 158 V CA -0.360 62.049 62.300 0.181 0.000 1.161 158 V CB 0.348 32.310 31.823 0.232 0.000 0.916 158 V HN 0.013 nan 8.190 nan 0.000 0.490 159 K N 4.798 125.315 120.400 0.196 0.000 2.182 159 K HA 0.708 5.027 4.320 -0.001 0.000 0.262 159 K C -0.664 176.153 176.600 0.362 0.000 0.957 159 K CA -0.493 55.947 56.287 0.254 0.000 0.842 159 K CB 2.232 34.888 32.500 0.259 0.000 1.099 159 K HN 0.739 nan 8.250 nan 0.000 0.438 160 I N 1.105 121.845 120.570 0.283 0.000 2.509 160 I HA 0.442 4.611 4.170 -0.001 0.000 0.293 160 I C -0.469 175.605 176.117 -0.072 0.000 1.020 160 I CA -1.086 60.316 61.300 0.169 0.000 1.088 160 I CB 2.199 40.236 38.000 0.062 0.000 1.267 160 I HN 0.505 nan 8.210 nan 0.000 0.430 161 A N 4.410 127.029 122.820 -0.334 0.000 2.304 161 A HA 0.870 5.190 4.320 -0.001 0.000 0.314 161 A C -0.344 177.093 177.584 -0.244 0.000 1.187 161 A CA -0.338 51.375 52.037 -0.540 0.000 0.810 161 A CB 1.027 19.306 19.000 -1.201 0.000 1.183 161 A HN 0.765 nan 8.150 nan 0.000 0.487 162 S N 1.552 117.149 115.700 -0.171 0.000 2.705 162 S HA 0.833 5.302 4.470 -0.001 0.000 0.280 162 S C -0.495 174.036 174.600 -0.115 0.000 1.174 162 S CA -0.540 57.591 58.200 -0.115 0.000 0.823 162 S CB 0.727 63.861 63.200 -0.110 0.000 1.162 162 S HN 1.423 nan 8.310 nan 0.000 0.487 163 I N -1.386 119.114 120.570 -0.117 0.000 2.797 163 I HA 0.944 5.113 4.170 -0.001 0.000 0.307 163 I C 0.380 176.378 176.117 -0.200 0.000 1.033 163 I CA -1.049 60.165 61.300 -0.144 0.000 1.071 163 I CB 1.496 39.413 38.000 -0.138 0.000 1.255 163 I HN 0.852 nan 8.210 nan 0.000 0.445 164 G N 2.296 110.971 108.800 -0.209 0.000 2.795 164 G HA2 0.516 4.475 3.960 -0.001 0.000 0.267 164 G HA3 0.516 4.475 3.960 -0.001 0.000 0.267 164 G C -2.224 172.495 174.900 -0.302 0.000 1.362 164 G CA -1.484 43.474 45.100 -0.237 0.000 1.048 164 G HN 0.463 nan 8.290 nan 0.000 0.547 165 P HA -0.136 nan 4.420 nan 0.000 0.217 165 P C 2.012 179.156 177.300 -0.260 0.000 1.148 165 P CA 2.244 65.165 63.100 -0.299 0.000 0.834 165 P CB 0.141 31.712 31.700 -0.215 0.000 0.783 166 A N -0.410 122.281 122.820 -0.215 0.000 1.902 166 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 166 A C 2.481 179.939 177.584 -0.209 0.000 1.181 166 A CA 2.090 54.004 52.037 -0.206 0.000 0.623 166 A CB -1.807 17.078 19.000 -0.192 0.000 0.818 166 A HN 0.287 nan 8.150 nan 0.000 0.443 167 G N -0.424 108.251 108.800 -0.208 0.000 2.404 167 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.215 167 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.215 167 G C 1.379 176.171 174.900 -0.180 0.000 1.174 167 G CA 0.908 45.904 45.100 -0.173 0.000 0.780 167 G HN 0.652 nan 8.290 nan 0.000 0.537 168 E N 0.736 120.736 120.200 -0.333 0.000 2.160 168 E HA -0.099 4.250 4.350 -0.001 0.000 0.195 168 E C 1.534 178.070 176.600 -0.107 0.000 0.991 168 E CA 0.840 57.001 56.400 -0.398 0.000 0.810 168 E CB -0.022 29.098 29.700 -0.967 0.000 0.742 168 E HN 0.283 nan 8.360 nan 0.000 0.466 169 N N 0.357 118.972 118.700 -0.142 0.000 2.322 169 N HA 0.031 4.770 4.740 -0.001 0.000 0.194 169 N C -0.311 175.153 175.510 -0.076 0.000 1.126 169 N CA 0.166 53.167 53.050 -0.082 0.000 0.845 169 N CB 0.584 39.008 38.487 -0.106 0.000 0.976 169 N HN -0.001 nan 8.380 nan 0.000 0.475 170 L N -0.230 120.946 121.223 -0.077 0.000 3.717 170 L HA -0.186 4.153 4.340 -0.001 0.000 0.414 170 L C -0.483 176.311 176.870 -0.126 0.000 1.228 170 L CA 0.251 55.046 54.840 -0.075 0.000 0.918 170 L CB -2.496 39.543 42.059 -0.034 0.000 1.865 170 L HN -0.108 nan 8.230 nan 0.000 0.922 171 V N 0.752 120.545 119.914 -0.202 0.000 2.485 171 V HA -0.033 4.086 4.120 -0.001 0.000 0.287 171 V C 2.040 177.933 176.094 -0.335 0.000 1.022 171 V CA -0.161 61.932 62.300 -0.345 0.000 1.067 171 V CB 0.921 32.444 31.823 -0.500 0.000 0.967 171 V HN 0.397 nan 8.190 nan 0.000 0.479 172 K N 4.374 124.621 120.400 -0.255 0.000 2.362 172 K HA -0.161 4.158 4.320 -0.001 0.000 0.202 172 K C 0.854 177.474 176.600 0.034 0.000 1.045 172 K CA 1.526 57.775 56.287 -0.064 0.000 0.936 172 K CB -0.185 32.354 32.500 0.064 0.000 0.747 172 K HN 0.861 nan 8.250 nan 0.000 0.467 173 F N -1.269 118.682 119.950 0.003 0.000 2.881 173 F HA 0.513 5.039 4.527 -0.002 0.000 0.343 173 F C 0.098 175.895 175.800 -0.004 0.000 1.233 173 F CA -1.341 56.664 58.000 0.008 0.000 1.262 173 F CB -0.130 38.882 39.000 0.021 0.000 0.980 173 F HN -0.273 nan 8.300 nan 0.000 0.506 174 A N 1.361 124.112 122.820 -0.115 0.000 2.401 174 A HA 0.769 5.088 4.320 -0.001 0.000 0.259 174 A C 0.295 177.866 177.584 -0.022 0.000 1.103 174 A CA 0.160 52.134 52.037 -0.104 0.000 0.789 174 A CB 0.046 18.956 19.000 -0.151 0.000 1.035 174 A HN 0.721 nan 8.150 nan 0.000 0.491 175 A N 1.981 124.793 122.820 -0.014 0.000 2.288 175 A HA 0.778 5.097 4.320 -0.001 0.000 0.328 175 A C -0.321 177.241 177.584 -0.037 0.000 1.123 175 A CA -0.629 51.405 52.037 -0.005 0.000 0.861 175 A CB 0.594 19.605 19.000 0.017 0.000 1.272 175 A HN 0.758 nan 8.150 nan 0.000 0.490 176 I N 1.619 122.168 120.570 -0.035 0.000 2.339 176 I HA 0.277 4.446 4.170 -0.001 0.000 0.290 176 I C -0.540 175.545 176.117 -0.054 0.000 0.994 176 I CA -0.240 61.029 61.300 -0.052 0.000 1.191 176 I CB 1.414 39.391 38.000 -0.039 0.000 1.343 176 I HN 0.496 nan 8.210 nan 0.000 0.458 177 M N 5.484 125.038 119.600 -0.077 0.000 2.472 177 M HA 0.425 4.904 4.480 -0.001 0.000 0.331 177 M C -0.700 175.550 176.300 -0.084 0.000 1.170 177 M CA -0.689 54.569 55.300 -0.069 0.000 1.009 177 M CB 1.371 33.913 32.600 -0.096 0.000 1.672 177 M HN 0.595 nan 8.290 nan 0.000 0.453 178 N N -1.048 117.634 118.700 -0.030 0.000 2.277 178 N HA 0.386 5.125 4.740 -0.001 0.000 0.286 178 N C -1.230 174.327 175.510 0.080 0.000 1.140 178 N CA -0.622 52.419 53.050 -0.015 0.000 0.799 178 N CB 1.542 40.010 38.487 -0.032 0.000 1.596 178 N HN 0.607 nan 8.380 nan 0.000 0.473 179 D N 0.606 121.071 120.400 0.109 0.000 2.751 179 D HA -0.206 4.433 4.640 -0.001 0.000 0.233 179 D C 1.178 177.545 176.300 0.112 0.000 1.149 179 D CA 1.754 55.849 54.000 0.158 0.000 0.682 179 D CB -1.376 39.589 40.800 0.275 0.000 1.068 179 D HN 1.156 nan 8.370 nan 0.000 0.429 180 G N 0.267 109.067 108.800 -0.001 0.000 2.855 180 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.231 180 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.231 180 G C 0.622 175.279 174.900 -0.404 0.000 1.242 180 G CA 0.787 45.786 45.100 -0.167 0.000 0.789 180 G HN 0.598 nan 8.290 nan 0.000 0.517 181 H N 0.007 119.116 119.070 0.065 0.000 3.052 181 H HA 0.247 4.802 4.556 -0.001 0.000 0.257 181 H C 0.517 175.888 175.328 0.072 0.000 1.193 181 H CA -0.321 55.764 56.048 0.062 0.000 1.072 181 H CB 0.699 30.511 29.762 0.084 0.000 1.685 181 H HN 0.210 nan 8.280 nan 0.000 0.630 182 R N 1.490 122.077 120.500 0.145 0.000 2.312 182 R HA 0.635 4.974 4.340 -0.001 0.000 0.311 182 R C -0.242 176.095 176.300 0.063 0.000 1.004 182 R CA -0.391 55.781 56.100 0.121 0.000 0.902 182 R CB 1.715 32.106 30.300 0.151 0.000 1.073 182 R HN 0.183 nan 8.270 nan 0.000 0.457 183 A N 1.514 124.359 122.820 0.041 0.000 2.355 183 A HA 0.693 5.012 4.320 -0.001 0.000 0.317 183 A C -0.492 177.068 177.584 -0.039 0.000 1.094 183 A CA -0.654 51.387 52.037 0.007 0.000 0.764 183 A CB 1.654 20.671 19.000 0.029 0.000 1.230 183 A HN 0.670 nan 8.150 nan 0.000 0.448 184 A N 1.921 124.705 122.820 -0.061 0.000 3.000 184 A HA 0.531 4.850 4.320 -0.001 0.000 0.315 184 A C 1.153 178.717 177.584 -0.034 0.000 1.434 184 A CA 0.191 52.169 52.037 -0.100 0.000 1.108 184 A CB -0.715 18.219 19.000 -0.110 0.000 1.171 184 A HN 1.428 nan 8.150 nan 0.000 0.524 185 G N 0.888 109.684 108.800 -0.006 0.000 2.408 185 G HA2 0.030 3.989 3.960 -0.001 0.000 0.215 185 G HA3 0.030 3.989 3.960 -0.001 0.000 0.215 185 G C 0.874 175.811 174.900 0.062 0.000 1.156 185 G CA -0.024 45.098 45.100 0.036 0.000 0.793 185 G HN 0.615 nan 8.290 nan 0.000 0.535 186 R N -0.965 119.569 120.500 0.057 0.000 2.668 186 R HA 0.531 4.870 4.340 -0.001 0.000 0.279 186 R C 0.761 177.099 176.300 0.064 0.000 0.976 186 R CA -0.029 56.119 56.100 0.079 0.000 0.978 186 R CB 1.511 31.866 30.300 0.092 0.000 1.133 186 R HN 0.246 nan 8.270 nan 0.000 0.484 187 G N -0.245 108.606 108.800 0.085 0.000 2.195 187 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.224 187 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.224 187 G C 0.702 175.639 174.900 0.062 0.000 0.990 187 G CA 0.097 45.238 45.100 0.069 0.000 0.639 187 G HN 1.244 nan 8.290 nan 0.000 0.514 188 G N -1.334 107.507 108.800 0.069 0.000 2.132 188 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.228 188 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.228 188 G C 1.824 176.729 174.900 0.009 0.000 1.000 188 G CA 1.707 46.831 45.100 0.040 0.000 0.693 188 G HN 2.127 nan 8.290 nan 0.000 0.515 189 V N -1.760 118.158 119.914 0.008 0.000 2.469 189 V HA 0.070 4.189 4.120 -0.001 0.000 0.251 189 V C 2.658 178.745 176.094 -0.012 0.000 1.064 189 V CA 2.623 64.920 62.300 -0.005 0.000 1.066 189 V CB -1.086 30.732 31.823 -0.009 0.000 0.667 189 V HN 1.035 nan 8.190 nan 0.000 0.461 190 G N -0.342 108.446 108.800 -0.020 0.000 2.448 190 G HA2 0.023 3.982 3.960 -0.001 0.000 0.218 190 G HA3 0.023 3.982 3.960 -0.001 0.000 0.218 190 G C 1.645 176.520 174.900 -0.042 0.000 1.135 190 G CA 0.892 45.969 45.100 -0.039 0.000 0.784 190 G HN 0.863 nan 8.290 nan 0.000 0.543 191 A N 0.101 122.898 122.820 -0.039 0.000 1.970 191 A HA 0.231 4.550 4.320 -0.001 0.000 0.216 191 A C 2.524 180.102 177.584 -0.009 0.000 1.170 191 A CA 1.369 53.383 52.037 -0.038 0.000 0.645 191 A CB -0.303 18.668 19.000 -0.048 0.000 0.816 191 A HN 0.198 nan 8.150 nan 0.000 0.447 192 V N -0.233 119.678 119.914 -0.005 0.000 2.307 192 V HA -0.299 3.820 4.120 -0.001 0.000 0.245 192 V C 2.566 178.671 176.094 0.017 0.000 1.045 192 V CA 2.262 64.564 62.300 0.003 0.000 1.024 192 V CB -0.704 31.118 31.823 -0.003 0.000 0.651 192 V HN 0.710 nan 8.190 nan 0.000 0.449 193 M N 0.724 120.334 119.600 0.017 0.000 2.080 193 M HA -0.148 4.332 4.480 -0.001 0.000 0.260 193 M C 1.999 178.346 176.300 0.079 0.000 1.068 193 M CA 2.444 57.765 55.300 0.036 0.000 1.109 193 M CB -0.645 31.966 32.600 0.020 0.000 1.342 193 M HN 0.386 nan 8.290 nan 0.000 0.405 194 G N -0.943 107.901 108.800 0.074 0.000 2.443 194 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.219 194 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.219 194 G C 1.446 176.459 174.900 0.190 0.000 1.131 194 G CA 0.973 46.169 45.100 0.161 0.000 0.775 194 G HN 0.645 nan 8.290 nan 0.000 0.547 195 S N -0.118 115.637 115.700 0.093 0.000 2.515 195 S HA 0.098 4.568 4.470 -0.001 0.000 0.231 195 S C 1.698 176.328 174.600 0.049 0.000 0.987 195 S CA 0.701 58.940 58.200 0.065 0.000 0.936 195 S CB 0.001 63.218 63.200 0.029 0.000 0.766 195 S HN 0.399 nan 8.310 nan 0.000 0.528 196 K N 0.813 121.248 120.400 0.059 0.000 2.372 196 K HA 0.255 4.575 4.320 -0.001 0.000 0.200 196 K C -0.163 176.449 176.600 0.019 0.000 1.022 196 K CA -0.165 56.140 56.287 0.030 0.000 1.125 196 K CB 0.060 32.577 32.500 0.028 0.000 0.855 196 K HN 0.137 nan 8.250 nan 0.000 0.524 197 N N 1.132 119.859 118.700 0.045 0.000 2.741 197 N HA -0.189 4.550 4.740 -0.001 0.000 0.251 197 N C -0.886 174.632 175.510 0.014 0.000 1.112 197 N CA 0.556 53.552 53.050 -0.091 0.000 0.750 197 N CB -1.003 37.337 38.487 -0.246 0.000 1.119 197 N HN 0.146 nan 8.380 nan 0.000 0.561 198 L N 0.755 122.071 121.223 0.154 0.000 2.259 198 L HA 0.294 4.634 4.340 -0.001 0.000 0.288 198 L C 1.202 178.236 176.870 0.273 0.000 1.051 198 L CA 0.023 54.963 54.840 0.166 0.000 0.824 198 L CB 1.249 43.368 42.059 0.101 0.000 1.206 198 L HN -0.058 nan 8.230 nan 0.000 0.429 199 K N 4.354 124.952 120.400 0.330 0.000 2.137 199 K HA 0.472 4.792 4.320 -0.001 0.000 0.202 199 K C 0.061 176.724 176.600 0.105 0.000 1.052 199 K CA 1.135 57.590 56.287 0.280 0.000 0.961 199 K CB 0.298 33.012 32.500 0.357 0.000 0.741 199 K HN 0.711 nan 8.250 nan 0.000 0.452 200 A N -0.604 122.297 122.820 0.135 0.000 2.586 200 A HA 0.620 4.939 4.320 -0.001 0.000 0.290 200 A C -1.610 176.072 177.584 0.163 0.000 1.086 200 A CA -0.809 51.274 52.037 0.076 0.000 0.665 200 A CB 0.880 19.870 19.000 -0.016 0.000 1.279 200 A HN 0.060 nan 8.150 nan 0.000 0.423 201 I N 0.611 121.261 120.570 0.133 0.000 2.468 201 I HA 0.571 4.740 4.170 -0.001 0.000 0.285 201 I C 0.102 176.411 176.117 0.319 0.000 1.039 201 I CA -0.500 60.937 61.300 0.229 0.000 1.074 201 I CB 1.902 40.031 38.000 0.216 0.000 1.228 201 I HN 0.813 nan 8.210 nan 0.000 0.436 202 A N 6.320 129.366 122.820 0.376 0.000 2.287 202 A HA 0.771 5.091 4.320 -0.001 0.000 0.317 202 A C -1.026 176.757 177.584 0.332 0.000 1.220 202 A CA -0.555 51.717 52.037 0.391 0.000 0.835 202 A CB 1.630 20.897 19.000 0.445 0.000 1.180 202 A HN 0.491 nan 8.150 nan 0.000 0.500 203 V N 1.944 121.992 119.914 0.224 0.000 2.864 203 V HA 0.797 4.916 4.120 -0.001 0.000 0.314 203 V C -0.737 175.392 176.094 0.058 0.000 1.073 203 V CA -0.466 61.854 62.300 0.034 0.000 0.956 203 V CB 1.904 33.622 31.823 -0.175 0.000 1.023 203 V HN 1.014 nan 8.190 nan 0.000 0.435 204 E N 2.890 123.102 120.200 0.020 0.000 2.291 204 E HA 0.682 5.031 4.350 -0.001 0.000 0.276 204 E C -0.816 175.814 176.600 0.050 0.000 0.896 204 E CA -0.327 56.116 56.400 0.073 0.000 0.774 204 E CB 1.930 31.704 29.700 0.124 0.000 1.227 204 E HN 1.016 nan 8.360 nan 0.000 0.413 205 G N 0.547 109.409 108.800 0.105 0.000 2.642 205 G HA2 0.462 4.421 3.960 -0.001 0.000 0.293 205 G HA3 0.462 4.421 3.960 -0.001 0.000 0.293 205 G C -0.115 174.852 174.900 0.112 0.000 1.341 205 G CA -0.379 44.788 45.100 0.112 0.000 0.916 205 G HN 0.470 nan 8.290 nan 0.000 0.474 206 S N -0.975 114.756 115.700 0.051 0.000 2.847 206 S HA 0.304 4.773 4.470 -0.001 0.000 0.254 206 S C 0.457 175.042 174.600 -0.025 0.000 1.039 206 S CA -0.380 57.812 58.200 -0.012 0.000 1.113 206 S CB 0.249 63.443 63.200 -0.010 0.000 1.092 206 S HN 0.472 nan 8.310 nan 0.000 0.620 207 K N 1.253 121.683 120.400 0.048 0.000 2.179 207 K HA 0.610 4.929 4.320 -0.001 0.000 0.238 207 K C -0.582 176.118 176.600 0.166 0.000 1.033 207 K CA -0.400 55.959 56.287 0.121 0.000 0.926 207 K CB 0.472 33.071 32.500 0.165 0.000 1.151 207 K HN 0.009 nan 8.250 nan 0.000 0.492 208 T N 0.731 115.428 114.554 0.239 0.000 2.824 208 T HA 0.238 4.588 4.350 -0.001 0.000 0.282 208 T C -0.615 174.202 174.700 0.195 0.000 0.993 208 T CA -0.768 61.440 62.100 0.180 0.000 0.967 208 T CB 1.365 70.278 68.868 0.076 0.000 0.960 208 T HN 0.160 nan 8.240 nan 0.000 0.441 209 V N 6.631 126.626 119.914 0.135 0.000 2.529 209 V HA 0.180 4.299 4.120 -0.001 0.000 0.292 209 V C -1.632 174.293 176.094 -0.282 0.000 1.028 209 V CA -1.310 60.844 62.300 -0.244 0.000 1.074 209 V CB -0.017 31.720 31.823 -0.144 0.000 0.958 209 V HN 0.710 nan 8.190 nan 0.000 0.481 210 P HA 0.271 nan 4.420 nan 0.000 0.276 210 P C -0.791 176.464 177.300 -0.074 0.000 1.253 210 P CA -0.161 62.825 63.100 -0.190 0.000 0.766 210 P CB 0.852 32.422 31.700 -0.217 0.000 0.845 211 I N 2.847 123.349 120.570 -0.114 0.000 2.437 211 I HA 0.211 4.380 4.170 -0.001 0.000 0.298 211 I C 1.673 177.489 176.117 -0.503 0.000 0.984 211 I CA -0.822 60.283 61.300 -0.325 0.000 1.214 211 I CB 1.081 38.846 38.000 -0.392 0.000 1.365 211 I HN 0.365 nan 8.210 nan 0.000 0.469 212 A N 4.272 126.581 122.820 -0.851 0.000 1.835 212 A HA -0.113 4.206 4.320 -0.001 0.000 0.215 212 A C 0.766 177.997 177.584 -0.588 0.000 1.199 212 A CA 1.443 52.745 52.037 -1.224 0.000 0.615 212 A CB -0.162 18.303 19.000 -0.892 0.000 0.838 212 A HN 0.728 nan 8.150 nan 0.000 0.444 213 D N -1.155 119.032 120.400 -0.355 0.000 2.446 213 D HA 0.334 4.973 4.640 -0.001 0.000 0.251 213 D C 0.797 177.055 176.300 -0.071 0.000 1.137 213 D CA -0.301 53.596 54.000 -0.171 0.000 0.890 213 D CB 1.082 41.819 40.800 -0.105 0.000 1.071 213 D HN 0.352 nan 8.370 nan 0.000 0.528 214 K N 2.083 122.450 120.400 -0.054 0.000 2.032 214 K HA -0.200 4.119 4.320 -0.001 0.000 0.209 214 K C 1.547 178.197 176.600 0.082 0.000 1.048 214 K CA 1.343 57.651 56.287 0.035 0.000 0.927 214 K CB -0.075 32.434 32.500 0.014 0.000 0.712 214 K HN 0.284 nan 8.250 nan 0.000 0.441 215 Q N 0.491 120.314 119.800 0.038 0.000 2.172 215 Q HA -0.094 4.245 4.340 -0.001 0.000 0.200 215 Q C 2.090 178.111 176.000 0.035 0.000 0.964 215 Q CA 1.357 57.179 55.803 0.031 0.000 0.855 215 Q CB -0.076 28.670 28.738 0.013 0.000 0.918 215 Q HN 0.314 nan 8.270 nan 0.000 0.444 216 K N 0.871 121.297 120.400 0.043 0.000 2.001 216 K HA -0.176 4.143 4.320 -0.001 0.000 0.208 216 K C 1.660 178.311 176.600 0.086 0.000 1.048 216 K CA 1.166 57.480 56.287 0.045 0.000 0.932 216 K CB -0.515 32.006 32.500 0.034 0.000 0.715 216 K HN 0.061 nan 8.250 nan 0.000 0.437 217 F N 1.262 121.178 119.950 -0.057 0.000 2.091 217 F HA -0.183 4.343 4.527 -0.001 0.000 0.299 217 F C 1.988 177.765 175.800 -0.039 0.000 1.103 217 F CA 1.921 59.888 58.000 -0.056 0.000 1.228 217 F CB -0.360 38.598 39.000 -0.069 0.000 0.984 217 F HN 0.057 nan 8.300 nan 0.000 0.477 218 M N -0.571 119.022 119.600 -0.012 0.000 2.149 218 M HA -0.268 4.211 4.480 -0.001 0.000 0.261 218 M C 2.203 178.428 176.300 -0.125 0.000 1.064 218 M CA 1.733 56.972 55.300 -0.101 0.000 1.102 218 M CB -0.615 31.974 32.600 -0.019 0.000 1.369 218 M HN 0.232 nan 8.290 nan 0.000 0.408 219 L N -1.237 119.941 121.223 -0.076 0.000 2.131 219 L HA -0.120 4.219 4.340 -0.001 0.000 0.206 219 L C 2.342 179.156 176.870 -0.093 0.000 1.087 219 L CA 0.462 55.262 54.840 -0.067 0.000 0.767 219 L CB -0.541 41.498 42.059 -0.033 0.000 0.917 219 L HN 0.079 nan 8.230 nan 0.000 0.441 220 V N -0.662 119.186 119.914 -0.111 0.000 2.295 220 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 220 V C 2.441 178.420 176.094 -0.192 0.000 1.049 220 V CA 1.479 63.707 62.300 -0.121 0.000 1.024 220 V CB -0.200 31.574 31.823 -0.080 0.000 0.648 220 V HN 0.177 nan 8.190 nan 0.000 0.447 221 V N 0.188 119.907 119.914 -0.326 0.000 2.287 221 V HA -0.308 3.811 4.120 -0.001 0.000 0.248 221 V C 2.597 178.577 176.094 -0.191 0.000 1.053 221 V CA 2.519 64.618 62.300 -0.336 0.000 1.027 221 V CB -0.828 30.703 31.823 -0.488 0.000 0.646 221 V HN 0.533 nan 8.190 nan 0.000 0.447 222 R N 0.116 120.524 120.500 -0.153 0.000 2.096 222 R HA -0.272 4.067 4.340 -0.001 0.000 0.240 222 R C 2.395 178.647 176.300 -0.080 0.000 1.139 222 R CA 2.415 58.456 56.100 -0.098 0.000 0.952 222 R CB -0.392 29.863 30.300 -0.075 0.000 0.854 222 R HN 0.707 nan 8.270 nan 0.000 0.436 223 E N 0.108 120.260 120.200 -0.081 0.000 2.058 223 E HA -0.214 4.135 4.350 -0.001 0.000 0.194 223 E C 1.619 178.178 176.600 -0.068 0.000 0.997 223 E CA 1.344 57.706 56.400 -0.064 0.000 0.801 223 E CB 0.145 29.808 29.700 -0.060 0.000 0.746 223 E HN 0.181 nan 8.360 nan 0.000 0.450 224 K N 0.402 120.747 120.400 -0.091 0.000 2.026 224 K HA -0.098 4.221 4.320 -0.001 0.000 0.208 224 K C 2.271 178.832 176.600 -0.065 0.000 1.048 224 K CA 0.913 57.145 56.287 -0.092 0.000 0.929 224 K CB -0.924 31.504 32.500 -0.120 0.000 0.713 224 K HN 0.121 nan 8.250 nan 0.000 0.439 225 V N 2.510 122.383 119.914 -0.068 0.000 2.287 225 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 225 V C 1.966 178.043 176.094 -0.028 0.000 1.053 225 V CA 1.853 64.126 62.300 -0.046 0.000 1.027 225 V CB -0.639 31.150 31.823 -0.056 0.000 0.646 225 V HN 0.425 nan 8.190 nan 0.000 0.447 226 N N -0.588 118.092 118.700 -0.033 0.000 2.289 226 N HA -0.195 4.545 4.740 -0.001 0.000 0.184 226 N C 1.842 177.347 175.510 -0.009 0.000 1.016 226 N CA 1.000 54.038 53.050 -0.020 0.000 0.872 226 N CB -0.096 38.377 38.487 -0.024 0.000 0.973 226 N HN 0.525 nan 8.380 nan 0.000 0.433 227 K N 0.831 121.224 120.400 -0.012 0.000 2.062 227 K HA -0.005 4.314 4.320 -0.001 0.000 0.205 227 K C 2.023 178.641 176.600 0.029 0.000 1.051 227 K CA 0.686 56.975 56.287 0.004 0.000 0.941 227 K CB 0.003 32.495 32.500 -0.013 0.000 0.719 227 K HN 0.111 nan 8.250 nan 0.000 0.440 228 L N 0.588 121.826 121.223 0.026 0.000 2.017 228 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 228 L C 2.463 179.359 176.870 0.044 0.000 1.073 228 L CA 1.301 56.172 54.840 0.052 0.000 0.745 228 L CB -0.374 41.714 42.059 0.048 0.000 0.894 228 L HN 0.140 nan 8.230 nan 0.000 0.432 229 R N -0.095 120.418 120.500 0.023 0.000 2.127 229 R HA -0.129 4.210 4.340 -0.001 0.000 0.238 229 R C 1.721 178.032 176.300 0.018 0.000 1.134 229 R CA 1.127 57.236 56.100 0.015 0.000 0.975 229 R CB -0.368 29.934 30.300 0.003 0.000 0.865 229 R HN 0.499 nan 8.270 nan 0.000 0.447 230 N N 0.778 119.493 118.700 0.025 0.000 2.412 230 N HA -0.067 4.672 4.740 -0.001 0.000 0.184 230 N C -0.323 175.215 175.510 0.048 0.000 1.101 230 N CA 0.180 53.246 53.050 0.028 0.000 0.881 230 N CB 0.217 38.717 38.487 0.021 0.000 0.969 230 N HN 0.208 nan 8.380 nan 0.000 0.459 231 D N 1.045 121.487 120.400 0.070 0.000 2.304 231 D HA 0.081 4.720 4.640 -0.001 0.000 0.250 231 D C -1.270 175.080 176.300 0.082 0.000 1.107 231 D CA -1.910 52.159 54.000 0.115 0.000 0.885 231 D CB 1.696 42.600 40.800 0.175 0.000 1.192 231 D HN -0.016 nan 8.370 nan 0.000 0.436 232 P HA -0.149 nan 4.420 nan 0.000 0.218 232 P C 1.159 178.456 177.300 -0.005 0.000 1.149 232 P CA 0.614 63.743 63.100 0.048 0.000 0.817 232 P CB 0.344 32.084 31.700 0.067 0.000 0.785 233 V N 1.186 121.082 119.914 -0.030 0.000 2.278 233 V HA -0.066 4.053 4.120 -0.001 0.000 0.238 233 V C 2.856 178.827 176.094 -0.205 0.000 1.039 233 V CA 2.112 64.265 62.300 -0.245 0.000 1.017 233 V CB -1.713 29.720 31.823 -0.650 0.000 0.657 233 V HN 0.048 nan 8.190 nan 0.000 0.462 234 A N 0.196 122.958 122.820 -0.097 0.000 2.070 234 A HA -0.032 4.287 4.320 -0.001 0.000 0.220 234 A C 2.121 179.702 177.584 -0.005 0.000 1.159 234 A CA 1.862 53.895 52.037 -0.008 0.000 0.656 234 A CB -0.765 18.300 19.000 0.109 0.000 0.800 234 A HN 0.604 nan 8.150 nan 0.000 0.453 235 G N -2.459 106.336 108.800 -0.008 0.000 2.921 235 G HA2 0.385 4.345 3.960 -0.001 0.000 0.213 235 G HA3 0.385 4.345 3.960 -0.001 0.000 0.213 235 G C 0.949 175.829 174.900 -0.033 0.000 1.143 235 G CA 1.090 46.185 45.100 -0.009 0.000 0.764 235 G HN 0.697 nan 8.290 nan 0.000 0.542 236 G N 0.151 108.920 108.800 -0.052 0.000 2.619 236 G HA2 0.324 4.284 3.960 -0.001 0.000 0.201 236 G HA3 0.324 4.284 3.960 -0.001 0.000 0.201 236 G C 1.517 176.353 174.900 -0.107 0.000 1.188 236 G CA 1.071 46.130 45.100 -0.069 0.000 0.663 236 G HN 0.316 nan 8.290 nan 0.000 0.757 237 G N 1.444 110.193 108.800 -0.084 0.000 2.511 237 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.216 237 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.216 237 G C 1.826 176.664 174.900 -0.104 0.000 1.218 237 G CA 1.126 46.190 45.100 -0.060 0.000 0.788 237 G HN 0.336 nan 8.290 nan 0.000 0.560 238 L N 1.491 122.617 121.223 -0.161 0.000 1.971 238 L HA -0.096 4.243 4.340 -0.001 0.000 0.215 238 L C 0.467 177.284 176.870 -0.088 0.000 1.072 238 L CA 1.779 56.532 54.840 -0.146 0.000 0.758 238 L CB -1.316 40.634 42.059 -0.183 0.000 0.889 238 L HN 0.254 nan 8.230 nan 0.000 0.433 239 P HA -0.181 nan 4.420 nan 0.000 0.216 239 P C 1.272 178.490 177.300 -0.137 0.000 1.150 239 P CA 1.580 64.635 63.100 -0.075 0.000 0.837 239 P CB 0.023 31.685 31.700 -0.063 0.000 0.786 240 K N -1.233 119.011 120.400 -0.260 0.000 2.031 240 K HA -0.078 4.241 4.320 -0.001 0.000 0.205 240 K C 1.723 177.993 176.600 -0.549 0.000 1.049 240 K CA 1.380 57.361 56.287 -0.511 0.000 0.939 240 K CB -0.175 31.798 32.500 -0.879 0.000 0.717 240 K HN 0.195 nan 8.250 nan 0.000 0.438 241 Y N -0.517 119.766 120.300 -0.029 0.000 2.500 241 Y HA 0.285 4.834 4.550 -0.001 0.000 0.246 241 Y C 0.838 176.729 175.900 -0.016 0.000 1.146 241 Y CA -0.048 58.037 58.100 -0.024 0.000 1.230 241 Y CB 0.705 39.142 38.460 -0.040 0.000 1.214 241 Y HN 0.192 nan 8.280 nan 0.000 0.526 242 G N 0.661 109.506 108.800 0.074 0.000 2.750 242 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.228 242 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.228 242 G C 1.046 175.968 174.900 0.037 0.000 1.367 242 G CA 0.172 45.311 45.100 0.064 0.000 0.871 242 G HN 0.422 nan 8.290 nan 0.000 0.560 243 T N -2.101 112.488 114.554 0.059 0.000 2.977 243 T HA 0.223 4.573 4.350 -0.001 0.000 0.271 243 T C 2.479 177.237 174.700 0.098 0.000 1.105 243 T CA 2.064 64.185 62.100 0.034 0.000 1.116 243 T CB -0.249 68.722 68.868 0.172 0.000 0.878 243 T HN 2.076 nan 8.240 nan 0.000 0.509 244 A N 1.633 124.544 122.820 0.151 0.000 2.216 244 A HA 0.162 4.481 4.320 -0.001 0.000 0.214 244 A C 2.503 180.126 177.584 0.065 0.000 1.160 244 A CA 1.096 53.242 52.037 0.182 0.000 0.725 244 A CB -0.979 18.116 19.000 0.157 0.000 0.784 244 A HN 0.636 nan 8.150 nan 0.000 0.472 245 V N -1.631 118.289 119.914 0.010 0.000 2.568 245 V HA -0.255 3.864 4.120 -0.001 0.000 0.253 245 V C 2.185 178.200 176.094 -0.132 0.000 1.072 245 V CA 1.703 63.967 62.300 -0.060 0.000 1.084 245 V CB -1.192 30.614 31.823 -0.027 0.000 0.676 245 V HN 0.527 nan 8.190 nan 0.000 0.469 246 L N -0.196 120.906 121.223 -0.202 0.000 2.191 246 L HA -0.127 4.212 4.340 -0.001 0.000 0.212 246 L C 2.590 179.287 176.870 -0.289 0.000 1.103 246 L CA 0.933 55.554 54.840 -0.365 0.000 0.769 246 L CB -0.670 40.904 42.059 -0.809 0.000 0.908 246 L HN 0.237 nan 8.230 nan 0.000 0.438 247 V N 0.606 120.466 119.914 -0.090 0.000 2.220 247 V HA -0.399 3.721 4.120 -0.001 0.000 0.250 247 V C 2.011 177.951 176.094 -0.257 0.000 1.056 247 V CA 2.665 64.900 62.300 -0.108 0.000 1.016 247 V CB -0.808 30.989 31.823 -0.043 0.000 0.639 247 V HN 0.574 nan 8.190 nan 0.000 0.446 248 N N -0.315 118.286 118.700 -0.163 0.000 2.149 248 N HA -0.126 4.613 4.740 -0.001 0.000 0.188 248 N C 1.774 177.225 175.510 -0.099 0.000 1.019 248 N CA 1.422 54.407 53.050 -0.108 0.000 0.857 248 N CB -0.217 38.237 38.487 -0.055 0.000 0.997 248 N HN 0.464 nan 8.380 nan 0.000 0.426 249 I N 0.762 121.266 120.570 -0.110 0.000 2.163 249 I HA -0.204 3.965 4.170 -0.001 0.000 0.240 249 I C 1.807 177.885 176.117 -0.065 0.000 1.081 249 I CA 0.792 62.043 61.300 -0.082 0.000 1.353 249 I CB -0.201 37.742 38.000 -0.094 0.000 1.054 249 I HN 0.129 nan 8.210 nan 0.000 0.407 250 I N 0.807 121.329 120.570 -0.079 0.000 2.361 250 I HA -0.285 3.885 4.170 -0.001 0.000 0.251 250 I C 2.309 178.444 176.117 0.031 0.000 1.133 250 I CA 1.477 62.785 61.300 0.013 0.000 1.413 250 I CB -1.623 36.440 38.000 0.106 0.000 1.073 250 I HN 0.454 nan 8.210 nan 0.000 0.424 251 N N 1.501 120.146 118.700 -0.091 0.000 2.142 251 N HA -0.213 4.526 4.740 -0.001 0.000 0.186 251 N C 1.767 177.295 175.510 0.029 0.000 1.023 251 N CA 1.431 54.465 53.050 -0.026 0.000 0.852 251 N CB 0.194 38.590 38.487 -0.151 0.000 0.998 251 N HN 0.581 nan 8.380 nan 0.000 0.424 252 E N -0.235 119.963 120.200 -0.003 0.000 2.274 252 E HA -0.081 4.268 4.350 -0.001 0.000 0.194 252 E C 1.056 177.669 176.600 0.021 0.000 0.996 252 E CA 0.768 57.173 56.400 0.008 0.000 0.840 252 E CB -0.242 29.454 29.700 -0.007 0.000 0.772 252 E HN 0.304 nan 8.360 nan 0.000 0.491 253 N N 0.785 119.499 118.700 0.023 0.000 2.467 253 N HA -0.009 4.730 4.740 -0.001 0.000 0.184 253 N C 0.671 176.216 175.510 0.057 0.000 1.106 253 N CA 0.923 53.988 53.050 0.026 0.000 0.892 253 N CB 0.651 39.141 38.487 0.004 0.000 0.969 253 N HN 0.439 nan 8.380 nan 0.000 0.454 254 G N 1.624 110.474 108.800 0.083 0.000 2.225 254 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.264 254 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.264 254 G C 0.140 175.124 174.900 0.140 0.000 1.060 254 G CA 0.403 45.571 45.100 0.113 0.000 0.833 254 G HN 0.312 nan 8.290 nan 0.000 0.498 255 L N -3.018 118.301 121.223 0.160 0.000 3.393 255 L HA 0.530 4.869 4.340 -0.001 0.000 0.319 255 L C -0.393 176.596 176.870 0.200 0.000 1.309 255 L CA -2.063 52.882 54.840 0.175 0.000 0.962 255 L CB -1.266 40.881 42.059 0.146 0.000 1.391 255 L HN 0.181 nan 8.230 nan 0.000 0.607 256 Y N 3.666 123.994 120.300 0.047 0.000 2.518 256 Y HA 0.722 5.272 4.550 -0.001 0.000 0.344 256 Y C -2.378 173.519 175.900 -0.005 0.000 0.982 256 Y CA -2.832 55.269 58.100 0.001 0.000 1.234 256 Y CB 0.949 39.465 38.460 0.094 0.000 1.114 256 Y HN 0.156 nan 8.280 nan 0.000 0.515 257 P HA 0.027 nan 4.420 nan 0.000 0.263 257 P C -1.052 176.099 177.300 -0.247 0.000 1.195 257 P CA 0.388 63.286 63.100 -0.337 0.000 0.762 257 P CB 0.703 31.819 31.700 -0.973 0.000 0.799 258 V N 5.282 125.072 119.914 -0.206 0.000 2.604 258 V HA 0.288 4.407 4.120 -0.001 0.000 0.305 258 V C 0.251 176.153 176.094 -0.319 0.000 1.043 258 V CA -0.835 61.310 62.300 -0.260 0.000 0.888 258 V CB 1.368 33.126 31.823 -0.110 0.000 0.995 258 V HN 0.560 nan 8.190 nan 0.000 0.429 259 K N 3.774 123.895 120.400 -0.465 0.000 3.974 259 K HA -0.222 4.097 4.320 -0.001 0.000 0.280 259 K C 0.354 176.710 176.600 -0.407 0.000 0.949 259 K CA 0.760 56.526 56.287 -0.868 0.000 0.817 259 K CB -1.048 30.581 32.500 -1.453 0.000 1.535 259 K HN 0.896 nan 8.250 nan 0.000 0.444 260 N N 0.315 119.008 118.700 -0.010 0.000 2.738 260 N HA -0.225 4.514 4.740 -0.001 0.000 0.249 260 N C -0.553 175.195 175.510 0.397 0.000 1.047 260 N CA 1.467 54.689 53.050 0.287 0.000 0.707 260 N CB -1.232 37.507 38.487 0.418 0.000 0.937 260 N HN 0.528 nan 8.380 nan 0.000 0.545 261 F N -2.842 117.177 119.950 0.115 0.000 3.057 261 F HA -0.339 4.187 4.527 -0.002 0.000 0.287 261 F C 1.589 177.409 175.800 0.032 0.000 0.834 261 F CA 1.252 59.335 58.000 0.139 0.000 1.147 261 F CB -1.909 37.255 39.000 0.273 0.000 1.245 261 F HN 0.489 nan 8.300 nan 0.000 0.509 262 Q N -1.049 118.789 119.800 0.063 0.000 2.172 262 Q HA 0.019 4.358 4.340 -0.001 0.000 0.200 262 Q C 1.335 177.349 176.000 0.023 0.000 0.964 262 Q CA 1.632 57.437 55.803 0.004 0.000 0.855 262 Q CB 0.275 28.953 28.738 -0.100 0.000 0.918 262 Q HN 0.475 nan 8.270 nan 0.000 0.444 263 T N -3.048 111.518 114.554 0.021 0.000 2.816 263 T HA 0.525 4.874 4.350 -0.001 0.000 0.299 263 T C -0.289 174.458 174.700 0.078 0.000 1.230 263 T CA -0.267 61.865 62.100 0.052 0.000 1.007 263 T CB 1.750 70.632 68.868 0.024 0.000 1.289 263 T HN 0.057 nan 8.240 nan 0.000 0.508 264 G N 0.521 109.388 108.800 0.112 0.000 3.453 264 G HA2 0.491 4.451 3.960 -0.001 0.000 0.263 264 G HA3 0.491 4.451 3.960 -0.001 0.000 0.263 264 G C -0.557 174.449 174.900 0.176 0.000 1.060 264 G CA -0.030 45.154 45.100 0.140 0.000 0.793 264 G HN 0.670 nan 8.290 nan 0.000 0.532 265 V N 0.663 120.675 119.914 0.163 0.000 2.577 265 V HA 0.403 4.522 4.120 -0.001 0.000 0.303 265 V C -1.582 174.659 176.094 0.244 0.000 1.042 265 V CA -1.135 61.278 62.300 0.189 0.000 0.872 265 V CB 1.759 33.645 31.823 0.106 0.000 0.998 265 V HN 0.207 nan 8.190 nan 0.000 0.423 266 Y N 8.325 128.722 120.300 0.161 0.000 2.356 266 Y HA 0.504 5.053 4.550 -0.002 0.000 0.334 266 Y C -1.513 174.409 175.900 0.036 0.000 0.958 266 Y CA -2.563 55.617 58.100 0.134 0.000 1.196 266 Y CB 2.337 40.982 38.460 0.309 0.000 1.137 266 Y HN 0.479 nan 8.280 nan 0.000 0.485 267 P HA -0.213 nan 4.420 nan 0.000 0.217 267 P C 0.067 176.899 177.300 -0.779 0.000 1.148 267 P CA 1.748 64.453 63.100 -0.658 0.000 0.828 267 P CB 0.162 31.367 31.700 -0.826 0.000 0.783 268 Y N -1.070 118.771 120.300 -0.764 0.000 2.658 268 Y HA 0.501 5.050 4.550 -0.001 0.000 0.276 268 Y C 2.319 178.185 175.900 -0.056 0.000 1.167 268 Y CA -0.307 57.571 58.100 -0.369 0.000 1.230 268 Y CB -0.944 37.333 38.460 -0.306 0.000 1.144 268 Y HN -0.062 nan 8.280 nan 0.000 0.529 269 A N -0.202 122.704 122.820 0.143 0.000 1.948 269 A HA -0.310 4.010 4.320 -0.001 0.000 0.220 269 A C 1.913 179.603 177.584 0.178 0.000 1.177 269 A CA 1.840 54.076 52.037 0.331 0.000 0.636 269 A CB -1.013 18.094 19.000 0.178 0.000 0.815 269 A HN 0.629 nan 8.150 nan 0.000 0.449 270 Y N 0.934 121.272 120.300 0.062 0.000 2.207 270 Y HA -0.219 4.330 4.550 -0.002 0.000 0.287 270 Y C 2.155 178.092 175.900 0.063 0.000 1.156 270 Y CA 2.210 60.328 58.100 0.031 0.000 1.182 270 Y CB -0.231 38.230 38.460 0.002 0.000 0.979 270 Y HN 0.511 nan 8.280 nan 0.000 0.521 271 E N -0.334 119.953 120.200 0.145 0.000 2.333 271 E HA -0.223 4.126 4.350 -0.001 0.000 0.198 271 E C 1.154 177.784 176.600 0.049 0.000 1.007 271 E CA 1.179 57.644 56.400 0.108 0.000 0.845 271 E CB -0.125 29.682 29.700 0.178 0.000 0.766 271 E HN 0.734 nan 8.360 nan 0.000 0.507 272 Q N 0.446 120.282 119.800 0.060 0.000 2.135 272 Q HA 0.169 4.508 4.340 -0.001 0.000 0.231 272 Q C -0.042 175.967 176.000 0.014 0.000 0.817 272 Q CA -0.306 55.543 55.803 0.077 0.000 1.073 272 Q CB 0.758 29.591 28.738 0.159 0.000 1.176 272 Q HN -0.020 nan 8.270 nan 0.000 0.478 273 S N -0.905 114.710 115.700 -0.142 0.000 2.669 273 S HA 0.511 4.980 4.470 -0.001 0.000 0.270 273 S C 1.252 175.756 174.600 -0.160 0.000 1.225 273 S CA -0.148 57.940 58.200 -0.187 0.000 0.991 273 S CB 1.329 64.298 63.200 -0.386 0.000 0.987 273 S HN 0.302 nan 8.310 nan 0.000 0.552 274 G N 0.364 109.095 108.800 -0.115 0.000 2.432 274 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.219 274 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.219 274 G C 1.027 175.866 174.900 -0.101 0.000 1.135 274 G CA 0.787 45.868 45.100 -0.032 0.000 0.767 274 G HN 0.781 nan 8.290 nan 0.000 0.550 275 E N 0.769 120.736 120.200 -0.388 0.000 2.047 275 E HA 0.098 4.447 4.350 -0.001 0.000 0.191 275 E C 2.838 179.319 176.600 -0.199 0.000 0.987 275 E CA 1.138 57.287 56.400 -0.417 0.000 0.799 275 E CB -0.394 29.024 29.700 -0.470 0.000 0.752 275 E HN 0.347 nan 8.360 nan 0.000 0.449 276 A N 1.027 123.627 122.820 -0.367 0.000 1.902 276 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 276 A C 2.184 179.698 177.584 -0.115 0.000 1.181 276 A CA 1.671 53.556 52.037 -0.253 0.000 0.623 276 A CB -0.573 18.196 19.000 -0.384 0.000 0.818 276 A HN 0.312 nan 8.150 nan 0.000 0.443 277 M N -0.305 119.263 119.600 -0.054 0.000 2.159 277 M HA -0.139 4.341 4.480 -0.001 0.000 0.263 277 M C 2.205 178.535 176.300 0.051 0.000 1.063 277 M CA 1.745 57.079 55.300 0.057 0.000 1.110 277 M CB -0.281 32.386 32.600 0.111 0.000 1.374 277 M HN 0.413 nan 8.290 nan 0.000 0.411 278 A N 0.124 122.989 122.820 0.076 0.000 1.930 278 A HA -0.000 4.319 4.320 -0.001 0.000 0.217 278 A C 2.229 179.842 177.584 0.048 0.000 1.175 278 A CA 1.767 53.871 52.037 0.111 0.000 0.627 278 A CB -0.931 18.224 19.000 0.258 0.000 0.815 278 A HN 0.668 nan 8.150 nan 0.000 0.443 279 A N -0.825 122.001 122.820 0.010 0.000 2.021 279 A HA 0.036 4.356 4.320 -0.001 0.000 0.216 279 A C 2.071 179.585 177.584 -0.117 0.000 1.163 279 A CA 1.454 53.477 52.037 -0.024 0.000 0.676 279 A CB -0.134 18.867 19.000 0.002 0.000 0.818 279 A HN 0.513 nan 8.150 nan 0.000 0.453 280 K N -2.277 117.973 120.400 -0.249 0.000 2.214 280 K HA 0.132 4.451 4.320 -0.001 0.000 0.201 280 K C 0.875 177.077 176.600 -0.663 0.000 1.049 280 K CA 1.060 57.002 56.287 -0.575 0.000 0.978 280 K CB 0.086 31.990 32.500 -0.993 0.000 0.842 280 K HN 0.544 nan 8.250 nan 0.000 0.474 281 Y N -0.152 120.161 120.300 0.021 0.000 2.423 281 Y HA 0.238 4.787 4.550 -0.001 0.000 0.257 281 Y C 0.186 176.094 175.900 0.014 0.000 1.087 281 Y CA -1.093 57.016 58.100 0.014 0.000 1.258 281 Y CB 0.177 38.642 38.460 0.008 0.000 1.237 281 Y HN -0.108 nan 8.280 nan 0.000 0.517 282 L N 0.778 122.077 121.223 0.126 0.000 2.513 282 L HA 0.057 4.396 4.340 -0.001 0.000 0.272 282 L C 0.765 177.672 176.870 0.061 0.000 1.187 282 L CA 0.433 55.327 54.840 0.090 0.000 0.895 282 L CB 0.680 42.784 42.059 0.076 0.000 1.147 282 L HN 0.075 nan 8.230 nan 0.000 0.483 283 V N 4.924 124.871 119.914 0.055 0.000 2.436 283 V HA 0.225 4.345 4.120 -0.001 0.000 0.240 283 V C 0.749 176.862 176.094 0.031 0.000 1.040 283 V CA 1.196 63.520 62.300 0.040 0.000 1.052 283 V CB -0.459 31.385 31.823 0.036 0.000 0.707 283 V HN 0.977 nan 8.190 nan 0.000 0.469 284 R N 0.931 121.451 120.500 0.032 0.000 2.752 284 R HA 0.347 4.686 4.340 -0.001 0.000 0.277 284 R C -1.403 174.917 176.300 0.032 0.000 1.024 284 R CA -0.668 55.448 56.100 0.027 0.000 0.866 284 R CB 1.089 31.405 30.300 0.028 0.000 1.278 284 R HN 0.392 nan 8.270 nan 0.000 0.473 285 N N 0.184 118.901 118.700 0.028 0.000 2.472 285 N HA 0.415 5.155 4.740 -0.001 0.000 0.289 285 N C -1.295 174.249 175.510 0.056 0.000 1.156 285 N CA -1.070 52.003 53.050 0.038 0.000 0.940 285 N CB 2.186 40.685 38.487 0.019 0.000 1.200 285 N HN 0.636 nan 8.380 nan 0.000 0.511 286 K N 0.967 121.413 120.400 0.077 0.000 2.535 286 K HA 0.425 4.745 4.320 -0.001 0.000 0.250 286 K C -3.016 173.659 176.600 0.126 0.000 0.948 286 K CA -1.807 54.544 56.287 0.105 0.000 0.796 286 K CB 2.073 34.644 32.500 0.118 0.000 1.216 286 K HN 0.500 nan 8.250 nan 0.000 0.432 287 P HA 0.313 nan 4.420 nan 0.000 0.287 287 P C -0.350 177.036 177.300 0.143 0.000 1.270 287 P CA -0.596 62.576 63.100 0.120 0.000 0.844 287 P CB 1.181 32.935 31.700 0.090 0.000 1.068 288 C N 0.871 120.202 119.300 0.052 0.000 2.480 288 C HA 0.211 4.670 4.460 -0.001 0.000 0.344 288 C C 0.869 175.712 174.990 -0.245 0.000 1.380 288 C CA -0.272 58.683 59.018 -0.104 0.000 2.386 288 C CB -0.934 26.770 27.740 -0.059 0.000 2.210 288 C HN 0.584 nan 8.230 nan 0.000 0.640 289 Y N 1.134 121.017 120.300 -0.695 0.000 2.810 289 Y HA 0.269 4.818 4.550 -0.001 0.000 0.332 289 Y C 1.078 176.919 175.900 -0.097 0.000 1.243 289 Y CA 1.164 59.012 58.100 -0.420 0.000 1.537 289 Y CB -0.014 38.212 38.460 -0.390 0.000 1.265 289 Y HN 1.000 nan 8.280 nan 0.000 0.572 290 A N 2.930 125.298 122.820 -0.754 0.000 2.816 290 A HA -0.314 4.005 4.320 -0.001 0.000 0.270 290 A C 0.495 177.978 177.584 -0.168 0.000 1.413 290 A CA 0.887 52.637 52.037 -0.478 0.000 0.866 290 A CB -2.231 16.506 19.000 -0.438 0.000 1.032 290 A HN 1.002 nan 8.150 nan 0.000 0.642 291 C N 1.135 120.373 119.300 -0.104 0.000 2.325 291 C HA 0.642 5.101 4.460 -0.001 0.000 0.347 291 C C -0.062 174.924 174.990 -0.006 0.000 1.263 291 C CA -0.906 58.098 59.018 -0.023 0.000 1.806 291 C CB 0.460 28.208 27.740 0.013 0.000 2.405 291 C HN 0.506 nan 8.230 nan 0.000 0.537 292 P HA 0.097 nan 4.420 nan 0.000 0.255 292 P C 1.099 178.412 177.300 0.023 0.000 1.248 292 P CA 0.790 63.892 63.100 0.005 0.000 0.807 292 P CB 0.235 31.933 31.700 -0.003 0.000 1.150 293 I N -0.266 120.331 120.570 0.045 0.000 2.429 293 I HA 0.131 4.301 4.170 -0.001 0.000 0.247 293 I C 1.194 177.341 176.117 0.050 0.000 1.099 293 I CA 0.856 62.190 61.300 0.056 0.000 1.422 293 I CB -1.050 37.013 38.000 0.104 0.000 1.112 293 I HN -0.031 nan 8.210 nan 0.000 0.430 294 G N 1.653 110.494 108.800 0.069 0.000 2.367 294 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.295 294 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.295 294 G C 0.729 175.670 174.900 0.068 0.000 1.019 294 G CA 0.361 45.503 45.100 0.070 0.000 1.224 294 G HN 0.663 nan 8.290 nan 0.000 0.510 295 C N 0.062 119.424 119.300 0.104 0.000 2.594 295 C HA 0.577 5.036 4.460 -0.001 0.000 0.265 295 C C 1.909 176.966 174.990 0.112 0.000 1.351 295 C CA 0.058 59.134 59.018 0.098 0.000 1.744 295 C CB -0.727 27.095 27.740 0.137 0.000 1.890 295 C HN 1.468 nan 8.230 nan 0.000 0.551 296 G N 2.036 110.910 108.800 0.123 0.000 2.353 296 G HA2 0.410 4.369 3.960 -0.001 0.000 0.239 296 G HA3 0.410 4.369 3.960 -0.001 0.000 0.239 296 G C -0.129 174.826 174.900 0.091 0.000 1.295 296 G CA -0.238 44.934 45.100 0.120 0.000 0.884 296 G HN 0.561 nan 8.290 nan 0.000 0.537 297 R N 1.060 121.611 120.500 0.084 0.000 2.428 297 R HA 0.421 4.760 4.340 -0.001 0.000 0.294 297 R C -0.888 175.435 176.300 0.038 0.000 1.000 297 R CA -0.756 55.383 56.100 0.065 0.000 0.960 297 R CB 1.834 32.178 30.300 0.074 0.000 1.076 297 R HN 0.245 nan 8.270 nan 0.000 0.475 298 V N 4.123 124.058 119.914 0.035 0.000 2.376 298 V HA 0.306 4.426 4.120 -0.001 0.000 0.287 298 V C -0.158 175.951 176.094 0.024 0.000 1.015 298 V CA -0.824 61.485 62.300 0.014 0.000 0.834 298 V CB 1.392 33.230 31.823 0.025 0.000 1.001 298 V HN 0.648 nan 8.190 nan 0.000 0.428 299 N N 3.413 122.118 118.700 0.007 0.000 2.471 299 N HA 0.745 5.484 4.740 -0.001 0.000 0.288 299 N C -0.621 174.892 175.510 0.005 0.000 1.220 299 N CA -0.854 52.216 53.050 0.034 0.000 0.893 299 N CB 2.704 41.212 38.487 0.034 0.000 1.256 299 N HN 0.654 nan 8.380 nan 0.000 0.534 300 R N 0.689 121.210 120.500 0.036 0.000 2.522 300 R HA 0.508 4.847 4.340 -0.001 0.000 0.283 300 R C -2.074 174.235 176.300 0.015 0.000 1.074 300 R CA -0.381 55.723 56.100 0.007 0.000 0.925 300 R CB 0.296 30.613 30.300 0.029 0.000 1.205 300 R HN 0.486 nan 8.270 nan 0.000 0.436 301 L N 6.121 127.306 121.223 -0.064 0.000 2.354 301 L HA 0.592 4.931 4.340 -0.001 0.000 0.269 301 L C -1.714 175.131 176.870 -0.041 0.000 1.005 301 L CA -2.639 52.151 54.840 -0.084 0.000 0.819 301 L CB 2.741 44.678 42.059 -0.203 0.000 1.311 301 L HN 0.555 nan 8.230 nan 0.000 0.423 302 P HA -0.157 nan 4.420 nan 0.000 0.218 302 P C 1.386 178.677 177.300 -0.015 0.000 1.148 302 P CA 1.366 64.468 63.100 0.003 0.000 0.822 302 P CB 0.137 31.851 31.700 0.023 0.000 0.784 303 T N -2.661 111.875 114.554 -0.030 0.000 2.668 303 T HA -0.097 4.252 4.350 -0.001 0.000 0.258 303 T C 1.764 176.435 174.700 -0.048 0.000 1.051 303 T CA 1.722 63.805 62.100 -0.027 0.000 1.155 303 T CB -1.492 67.368 68.868 -0.013 0.000 0.864 303 T HN 0.055 nan 8.240 nan 0.000 0.413 304 V N -0.974 118.879 119.914 -0.102 0.000 3.506 304 V HA 0.601 4.720 4.120 -0.001 0.000 0.263 304 V C 1.442 177.430 176.094 -0.176 0.000 1.203 304 V CA 0.246 62.449 62.300 -0.162 0.000 1.133 304 V CB -1.254 30.374 31.823 -0.326 0.000 0.802 304 V HN 1.113 nan 8.190 nan 0.000 0.459 305 G N 0.421 109.145 108.800 -0.126 0.000 2.527 305 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.227 305 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.227 305 G C -0.384 174.452 174.900 -0.108 0.000 1.291 305 G CA 0.149 45.197 45.100 -0.086 0.000 0.904 305 G HN 0.642 nan 8.290 nan 0.000 0.577 306 E N 0.167 120.329 120.200 -0.064 0.000 2.354 306 E HA 0.541 4.890 4.350 -0.001 0.000 0.269 306 E C 0.172 176.726 176.600 -0.075 0.000 1.036 306 E CA 0.686 57.056 56.400 -0.050 0.000 0.876 306 E CB 1.100 30.797 29.700 -0.005 0.000 1.009 306 E HN 0.695 nan 8.360 nan 0.000 0.416 307 T N 2.246 116.739 114.554 -0.103 0.000 2.762 307 T HA 0.316 4.665 4.350 -0.001 0.000 0.301 307 T C -1.633 172.909 174.700 -0.263 0.000 1.299 307 T CA -0.679 61.323 62.100 -0.162 0.000 1.005 307 T CB 1.310 70.105 68.868 -0.122 0.000 1.377 307 T HN 0.442 nan 8.240 nan 0.000 0.504 308 E N 0.038 119.887 120.200 -0.584 0.000 2.277 308 E HA 0.622 4.971 4.350 -0.001 0.000 0.266 308 E C 0.007 176.509 176.600 -0.164 0.000 0.901 308 E CA -0.402 55.799 56.400 -0.332 0.000 0.782 308 E CB 1.837 31.363 29.700 -0.290 0.000 1.228 308 E HN 1.176 nan 8.360 nan 0.000 0.424 309 G N 2.121 110.912 108.800 -0.015 0.000 2.698 309 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.225 309 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.225 309 G C -2.825 172.103 174.900 0.047 0.000 1.345 309 G CA -0.910 44.224 45.100 0.056 0.000 0.871 309 G HN 0.436 nan 8.290 nan 0.000 0.540 310 P HA 0.410 nan 4.420 nan 0.000 0.279 310 P C -0.428 176.945 177.300 0.122 0.000 1.252 310 P CA -0.275 62.880 63.100 0.090 0.000 0.811 310 P CB 1.239 32.981 31.700 0.070 0.000 1.035 311 E N 0.523 120.811 120.200 0.146 0.000 2.312 311 E HA 0.023 4.372 4.350 -0.001 0.000 0.259 311 E C 0.980 177.708 176.600 0.213 0.000 1.122 311 E CA -0.462 56.058 56.400 0.199 0.000 0.922 311 E CB 0.020 29.855 29.700 0.226 0.000 1.109 311 E HN 0.480 nan 8.360 nan 0.000 0.442 312 Y N 1.654 122.042 120.300 0.146 0.000 2.081 312 Y HA -0.310 4.239 4.550 -0.001 0.000 0.280 312 Y C 2.024 178.030 175.900 0.176 0.000 1.163 312 Y CA 2.581 60.767 58.100 0.143 0.000 1.135 312 Y CB -0.085 38.452 38.460 0.129 0.000 0.970 312 Y HN 0.561 nan 8.280 nan 0.000 0.498 313 E N -0.191 119.990 120.200 -0.031 0.000 2.118 313 E HA -0.165 4.184 4.350 -0.001 0.000 0.195 313 E C 2.357 178.978 176.600 0.036 0.000 0.992 313 E CA 1.709 58.057 56.400 -0.086 0.000 0.804 313 E CB -0.283 29.481 29.700 0.106 0.000 0.741 313 E HN 0.509 nan 8.360 nan 0.000 0.458 314 S N -0.820 114.911 115.700 0.052 0.000 2.371 314 S HA -0.099 4.370 4.470 -0.001 0.000 0.224 314 S C 2.066 176.653 174.600 -0.021 0.000 1.029 314 S CA 0.936 59.155 58.200 0.031 0.000 0.978 314 S CB -0.168 63.069 63.200 0.062 0.000 0.833 314 S HN 0.090 nan 8.310 nan 0.000 0.466 315 V N 0.668 120.582 119.914 -0.000 0.000 2.332 315 V HA -0.198 3.922 4.120 -0.001 0.000 0.248 315 V C 1.894 177.959 176.094 -0.049 0.000 1.055 315 V CA 1.879 64.181 62.300 0.004 0.000 1.038 315 V CB -0.675 31.193 31.823 0.075 0.000 0.651 315 V HN 0.715 nan 8.190 nan 0.000 0.450 316 W N 1.185 122.331 121.300 -0.256 0.000 2.381 316 W HA -0.131 4.528 4.660 -0.001 0.000 0.321 316 W C 2.511 178.836 176.519 -0.324 0.000 1.196 316 W CA 1.971 59.099 57.345 -0.361 0.000 1.304 316 W CB -0.713 28.385 29.460 -0.603 0.000 1.166 316 W HN 0.148 nan 8.180 nan 0.000 0.473 317 A N 0.468 122.866 122.820 -0.703 0.000 1.986 317 A HA -0.189 4.130 4.320 -0.001 0.000 0.220 317 A C 1.995 179.184 177.584 -0.658 0.000 1.171 317 A CA 2.155 53.605 52.037 -0.978 0.000 0.640 317 A CB -0.999 17.802 19.000 -0.332 0.000 0.811 317 A HN 0.478 nan 8.150 nan 0.000 0.451 318 L N -2.371 118.610 121.223 -0.403 0.000 2.640 318 L HA 0.278 4.617 4.340 -0.001 0.000 0.230 318 L C 1.855 178.582 176.870 -0.240 0.000 1.123 318 L CA 0.201 54.885 54.840 -0.259 0.000 0.900 318 L CB 0.053 42.027 42.059 -0.142 0.000 1.146 318 L HN 0.420 nan 8.230 nan 0.000 0.484 319 G N -0.447 108.159 108.800 -0.323 0.000 2.727 319 G HA2 0.259 4.218 3.960 -0.001 0.000 0.212 319 G HA3 0.259 4.218 3.960 -0.001 0.000 0.212 319 G C 1.369 176.030 174.900 -0.398 0.000 2.076 319 G CA 0.531 45.484 45.100 -0.245 0.000 0.744 319 G HN 0.064 nan 8.290 nan 0.000 0.775 320 A N 0.552 123.052 122.820 -0.532 0.000 1.958 320 A HA -0.203 4.116 4.320 -0.001 0.000 0.221 320 A C 2.046 179.197 177.584 -0.723 0.000 1.178 320 A CA 2.273 53.791 52.037 -0.866 0.000 0.642 320 A CB -1.047 17.430 19.000 -0.872 0.000 0.816 320 A HN 0.588 nan 8.150 nan 0.000 0.453 321 N N -0.425 117.734 118.700 -0.902 0.000 2.205 321 N HA -0.116 4.623 4.740 -0.001 0.000 0.186 321 N C 1.213 176.517 175.510 -0.343 0.000 1.015 321 N CA 1.318 53.873 53.050 -0.824 0.000 0.862 321 N CB -0.127 37.464 38.487 -1.492 0.000 0.986 321 N HN 0.541 nan 8.380 nan 0.000 0.429 322 L N -0.646 120.428 121.223 -0.249 0.000 2.667 322 L HA 0.295 4.635 4.340 -0.001 0.000 0.232 322 L C 1.108 178.087 176.870 0.183 0.000 1.138 322 L CA 0.202 55.090 54.840 0.080 0.000 0.921 322 L CB 0.418 42.466 42.059 -0.018 0.000 1.180 322 L HN 0.213 nan 8.230 nan 0.000 0.487 323 G N 1.392 110.162 108.800 -0.050 0.000 2.147 323 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.244 323 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.244 323 G C 0.052 175.010 174.900 0.098 0.000 1.005 323 G CA -0.040 45.070 45.100 0.018 0.000 0.713 323 G HN 0.318 nan 8.290 nan 0.000 0.515 324 I N 1.092 121.661 120.570 -0.003 0.000 2.359 324 I HA 0.281 4.450 4.170 -0.001 0.000 0.294 324 I C 1.334 177.521 176.117 0.116 0.000 0.987 324 I CA -0.697 60.639 61.300 0.060 0.000 1.225 324 I CB 1.329 39.337 38.000 0.013 0.000 1.366 324 I HN 0.247 nan 8.210 nan 0.000 0.466 325 N N 3.546 122.362 118.700 0.192 0.000 2.414 325 N HA -0.061 4.678 4.740 -0.001 0.000 0.177 325 N C 0.447 176.043 175.510 0.144 0.000 1.062 325 N CA -0.009 53.194 53.050 0.255 0.000 0.890 325 N CB 0.053 38.634 38.487 0.158 0.000 1.070 325 N HN 0.513 nan 8.380 nan 0.000 0.454 326 D N 1.768 122.220 120.400 0.087 0.000 2.433 326 D HA -0.073 4.566 4.640 -0.001 0.000 0.274 326 D C 1.142 177.485 176.300 0.071 0.000 1.344 326 D CA -0.159 53.886 54.000 0.075 0.000 0.989 326 D CB 0.429 41.267 40.800 0.063 0.000 1.116 326 D HN 0.118 nan 8.370 nan 0.000 0.533 327 L N 4.925 126.213 121.223 0.108 0.000 2.201 327 L HA -0.049 4.290 4.340 -0.001 0.000 0.212 327 L C 2.050 178.915 176.870 -0.009 0.000 1.105 327 L CA 1.978 56.880 54.840 0.103 0.000 0.775 327 L CB -0.548 41.637 42.059 0.210 0.000 0.913 327 L HN 0.459 nan 8.230 nan 0.000 0.440 328 A N -1.585 121.207 122.820 -0.047 0.000 1.873 328 A HA -0.147 4.172 4.320 -0.001 0.000 0.215 328 A C 2.381 179.880 177.584 -0.142 0.000 1.186 328 A CA 1.778 53.673 52.037 -0.238 0.000 0.616 328 A CB -0.889 18.016 19.000 -0.159 0.000 0.823 328 A HN 0.474 nan 8.150 nan 0.000 0.442 329 S N -0.130 115.537 115.700 -0.054 0.000 2.382 329 S HA -0.101 4.368 4.470 -0.001 0.000 0.228 329 S C 1.781 176.304 174.600 -0.128 0.000 1.027 329 S CA 1.418 59.563 58.200 -0.091 0.000 0.991 329 S CB -0.489 62.715 63.200 0.006 0.000 0.823 329 S HN 0.530 nan 8.310 nan 0.000 0.469 330 I N 1.229 121.754 120.570 -0.074 0.000 2.179 330 I HA -0.175 3.994 4.170 -0.001 0.000 0.242 330 I C 1.996 178.078 176.117 -0.059 0.000 1.088 330 I CA 1.224 62.487 61.300 -0.061 0.000 1.357 330 I CB -0.374 37.609 38.000 -0.027 0.000 1.051 330 I HN 0.250 nan 8.210 nan 0.000 0.409 331 I N 0.502 121.025 120.570 -0.079 0.000 2.286 331 I HA -0.265 3.905 4.170 -0.001 0.000 0.248 331 I C 2.409 178.497 176.117 -0.048 0.000 1.115 331 I CA 1.438 62.694 61.300 -0.073 0.000 1.392 331 I CB -0.395 37.509 38.000 -0.160 0.000 1.065 331 I HN 0.269 nan 8.210 nan 0.000 0.418 332 E N 0.983 121.128 120.200 -0.092 0.000 2.047 332 E HA -0.200 4.150 4.350 -0.001 0.000 0.191 332 E C 2.390 178.981 176.600 -0.015 0.000 0.987 332 E CA 1.291 57.653 56.400 -0.063 0.000 0.799 332 E CB -0.175 29.442 29.700 -0.138 0.000 0.752 332 E HN 0.505 nan 8.360 nan 0.000 0.449 333 A N 1.542 124.317 122.820 -0.076 0.000 1.902 333 A HA -0.272 4.048 4.320 -0.001 0.000 0.217 333 A C 1.936 179.523 177.584 0.006 0.000 1.181 333 A CA 1.956 53.961 52.037 -0.054 0.000 0.623 333 A CB -0.787 18.166 19.000 -0.078 0.000 0.818 333 A HN 0.231 nan 8.150 nan 0.000 0.443 334 N N -1.095 117.619 118.700 0.024 0.000 2.069 334 N HA -0.251 4.489 4.740 -0.001 0.000 0.191 334 N C 1.722 177.294 175.510 0.104 0.000 1.031 334 N CA 2.054 55.139 53.050 0.059 0.000 0.852 334 N CB -0.391 38.134 38.487 0.063 0.000 1.018 334 N HN 0.651 nan 8.380 nan 0.000 0.423 335 H N -0.185 118.906 119.070 0.035 0.000 2.319 335 H HA -0.035 4.520 4.556 -0.002 0.000 0.297 335 H C 1.898 177.258 175.328 0.054 0.000 1.097 335 H CA 2.168 58.264 56.048 0.081 0.000 1.285 335 H CB -0.140 29.648 29.762 0.044 0.000 1.368 335 H HN 0.297 nan 8.280 nan 0.000 0.495 336 M N -1.258 118.339 119.600 -0.004 0.000 2.296 336 M HA -0.142 4.337 4.480 -0.001 0.000 0.265 336 M C 2.361 178.616 176.300 -0.075 0.000 1.064 336 M CA 0.871 56.129 55.300 -0.070 0.000 1.109 336 M CB 0.023 32.615 32.600 -0.012 0.000 1.396 336 M HN 0.409 nan 8.290 nan 0.000 0.430 337 C N 0.410 119.693 119.300 -0.029 0.000 2.457 337 C HA -0.107 4.352 4.460 -0.001 0.000 0.278 337 C C 2.193 177.157 174.990 -0.043 0.000 1.309 337 C CA 0.721 59.733 59.018 -0.009 0.000 1.735 337 C CB -0.851 26.909 27.740 0.033 0.000 1.992 337 C HN 0.521 nan 8.230 nan 0.000 0.493 338 D N 0.609 120.972 120.400 -0.061 0.000 2.117 338 D HA -0.092 4.547 4.640 -0.001 0.000 0.198 338 D C 2.273 178.448 176.300 -0.208 0.000 0.982 338 D CA 1.056 54.990 54.000 -0.109 0.000 0.828 338 D CB -0.419 40.339 40.800 -0.070 0.000 0.967 338 D HN 0.475 nan 8.370 nan 0.000 0.464 339 E N 0.205 120.245 120.200 -0.266 0.000 2.072 339 E HA -0.061 4.289 4.350 -0.001 0.000 0.191 339 E C 2.307 178.797 176.600 -0.183 0.000 0.985 339 E CA 0.435 56.679 56.400 -0.260 0.000 0.801 339 E CB -0.127 29.396 29.700 -0.295 0.000 0.750 339 E HN 0.343 nan 8.360 nan 0.000 0.452 340 L N -0.505 120.629 121.223 -0.149 0.000 2.492 340 L HA 0.108 4.448 4.340 -0.001 0.000 0.223 340 L C 1.056 177.847 176.870 -0.132 0.000 1.132 340 L CA 0.443 55.204 54.840 -0.132 0.000 0.850 340 L CB -0.062 41.936 42.059 -0.101 0.000 0.966 340 L HN 0.181 nan 8.230 nan 0.000 0.454 341 G N 1.218 109.948 108.800 -0.116 0.000 2.341 341 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.278 341 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.278 341 G C -0.414 174.447 174.900 -0.064 0.000 1.111 341 G CA -0.280 44.761 45.100 -0.099 0.000 0.982 341 G HN 0.179 nan 8.290 nan 0.000 0.502 342 L N -0.079 121.135 121.223 -0.014 0.000 2.362 342 L HA 0.508 4.847 4.340 -0.001 0.000 0.271 342 L C 0.069 177.014 176.870 0.125 0.000 1.002 342 L CA -1.226 53.655 54.840 0.067 0.000 0.818 342 L CB 1.851 43.974 42.059 0.106 0.000 1.298 342 L HN 0.247 nan 8.230 nan 0.000 0.420 343 D N 0.587 121.116 120.400 0.216 0.000 2.383 343 D HA 0.021 4.660 4.640 -0.001 0.000 0.252 343 D C 1.273 177.656 176.300 0.137 0.000 1.166 343 D CA 0.064 54.166 54.000 0.170 0.000 0.879 343 D CB 1.410 42.326 40.800 0.194 0.000 1.164 343 D HN 0.671 nan 8.370 nan 0.000 0.462 344 T N 1.839 116.447 114.554 0.091 0.000 2.788 344 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 344 T C 2.112 176.820 174.700 0.014 0.000 1.044 344 T CA 0.916 63.048 62.100 0.053 0.000 1.139 344 T CB -0.366 68.535 68.868 0.054 0.000 0.867 344 T HN 0.518 nan 8.240 nan 0.000 0.454 345 I N 1.391 121.993 120.570 0.052 0.000 2.163 345 I HA -0.118 4.051 4.170 -0.001 0.000 0.240 345 I C 2.929 179.022 176.117 -0.041 0.000 1.081 345 I CA 1.248 62.587 61.300 0.066 0.000 1.353 345 I CB -0.500 37.597 38.000 0.163 0.000 1.054 345 I HN 0.236 nan 8.210 nan 0.000 0.407 346 S N 0.070 115.698 115.700 -0.120 0.000 2.423 346 S HA -0.132 4.337 4.470 -0.001 0.000 0.231 346 S C 2.012 176.167 174.600 -0.742 0.000 1.014 346 S CA 1.569 59.526 58.200 -0.405 0.000 0.965 346 S CB -0.288 62.640 63.200 -0.453 0.000 0.785 346 S HN 0.457 nan 8.310 nan 0.000 0.495 347 T N 1.534 115.812 114.554 -0.459 0.000 2.701 347 T HA -0.043 4.306 4.350 -0.001 0.000 0.263 347 T C 2.116 176.693 174.700 -0.205 0.000 1.040 347 T CA 1.391 63.331 62.100 -0.267 0.000 1.147 347 T CB -0.826 68.074 68.868 0.053 0.000 0.865 347 T HN 0.534 nan 8.240 nan 0.000 0.426 348 G N 0.781 109.471 108.800 -0.184 0.000 2.422 348 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.218 348 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.218 348 G C 1.711 176.474 174.900 -0.228 0.000 1.146 348 G CA 0.981 45.944 45.100 -0.230 0.000 0.769 348 G HN 0.566 nan 8.290 nan 0.000 0.547 349 G N 0.095 108.787 108.800 -0.181 0.000 2.408 349 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.217 349 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.217 349 G C 1.823 176.662 174.900 -0.102 0.000 1.150 349 G CA 1.672 46.728 45.100 -0.074 0.000 0.776 349 G HN 0.377 nan 8.290 nan 0.000 0.542 350 T N 1.284 115.718 114.554 -0.199 0.000 2.777 350 T HA 0.019 4.368 4.350 -0.001 0.000 0.266 350 T C 2.411 177.010 174.700 -0.169 0.000 1.040 350 T CA 0.643 62.640 62.100 -0.172 0.000 1.141 350 T CB -0.158 68.579 68.868 -0.219 0.000 0.868 350 T HN 0.129 nan 8.240 nan 0.000 0.444 351 L N 0.686 121.811 121.223 -0.164 0.000 2.083 351 L HA -0.062 4.277 4.340 -0.001 0.000 0.209 351 L C 3.000 179.728 176.870 -0.236 0.000 1.083 351 L CA 1.101 55.828 54.840 -0.188 0.000 0.752 351 L CB -0.604 41.410 42.059 -0.075 0.000 0.899 351 L HN 0.249 nan 8.230 nan 0.000 0.433 352 A N -0.515 122.220 122.820 -0.142 0.000 1.930 352 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 352 A C 2.341 179.883 177.584 -0.071 0.000 1.175 352 A CA 2.125 54.135 52.037 -0.045 0.000 0.627 352 A CB -0.799 18.244 19.000 0.073 0.000 0.815 352 A HN 0.357 nan 8.150 nan 0.000 0.443 353 T N 0.435 114.940 114.554 -0.082 0.000 2.720 353 T HA -0.068 4.281 4.350 -0.001 0.000 0.268 353 T C 2.217 176.788 174.700 -0.215 0.000 1.037 353 T CA 1.635 63.687 62.100 -0.080 0.000 1.144 353 T CB -0.454 68.378 68.868 -0.061 0.000 0.864 353 T HN 0.600 nan 8.240 nan 0.000 0.444 354 A N 1.335 123.921 122.820 -0.389 0.000 1.902 354 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 354 A C 2.340 179.542 177.584 -0.637 0.000 1.181 354 A CA 1.581 53.208 52.037 -0.683 0.000 0.623 354 A CB -0.682 17.510 19.000 -1.347 0.000 0.818 354 A HN 0.463 nan 8.150 nan 0.000 0.443 355 M N -1.393 117.826 119.600 -0.635 0.000 2.229 355 M HA -0.138 4.341 4.480 -0.001 0.000 0.264 355 M C 2.165 178.032 176.300 -0.721 0.000 1.063 355 M CA 1.775 56.587 55.300 -0.813 0.000 1.114 355 M CB -0.229 31.535 32.600 -1.394 0.000 1.387 355 M HN 0.610 nan 8.290 nan 0.000 0.420 356 E N 0.639 120.625 120.200 -0.358 0.000 2.158 356 E HA -0.093 4.256 4.350 -0.001 0.000 0.191 356 E C 1.961 178.539 176.600 -0.036 0.000 0.982 356 E CA 0.549 56.965 56.400 0.026 0.000 0.823 356 E CB 0.139 29.982 29.700 0.238 0.000 0.766 356 E HN 0.459 nan 8.360 nan 0.000 0.468 357 L N 0.131 121.290 121.223 -0.106 0.000 2.093 357 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 357 L C 2.393 179.168 176.870 -0.158 0.000 1.085 357 L CA 1.168 55.954 54.840 -0.090 0.000 0.755 357 L CB -0.423 41.491 42.059 -0.241 0.000 0.904 357 L HN 0.280 nan 8.230 nan 0.000 0.435 358 Y N 0.851 120.973 120.300 -0.296 0.000 2.163 358 Y HA -0.297 4.251 4.550 -0.002 0.000 0.288 358 Y C 2.691 178.459 175.900 -0.220 0.000 1.136 358 Y CA 2.033 59.981 58.100 -0.253 0.000 1.147 358 Y CB -0.128 38.195 38.460 -0.229 0.000 0.987 358 Y HN 0.212 nan 8.280 nan 0.000 0.509 359 E N 0.557 120.682 120.200 -0.125 0.000 2.085 359 E HA -0.239 4.110 4.350 -0.001 0.000 0.194 359 E C 1.219 177.711 176.600 -0.181 0.000 0.994 359 E CA 1.555 57.899 56.400 -0.094 0.000 0.801 359 E CB -0.184 29.593 29.700 0.128 0.000 0.743 359 E HN 0.472 nan 8.360 nan 0.000 0.453 360 K N -0.500 119.762 120.400 -0.230 0.000 2.504 360 K HA 0.096 4.415 4.320 -0.001 0.000 0.199 360 K C 0.791 176.980 176.600 -0.686 0.000 1.028 360 K CA 0.423 56.487 56.287 -0.371 0.000 1.164 360 K CB 0.397 32.730 32.500 -0.279 0.000 0.877 360 K HN 0.356 nan 8.250 nan 0.000 0.508 361 G N 1.786 110.260 108.800 -0.544 0.000 2.166 361 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.260 361 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.260 361 G C 0.555 175.190 174.900 -0.442 0.000 0.986 361 G CA 0.475 45.284 45.100 -0.485 0.000 0.683 361 G HN 0.476 nan 8.290 nan 0.000 0.527 362 H N -0.606 118.362 119.070 -0.171 0.000 2.448 362 H HA 0.227 4.782 4.556 -0.001 0.000 0.292 362 H C 1.589 176.835 175.328 -0.136 0.000 1.035 362 H CA 0.866 56.854 56.048 -0.099 0.000 1.349 362 H CB 0.399 30.089 29.762 -0.120 0.000 1.425 362 H HN 0.458 nan 8.280 nan 0.000 0.539 363 I N 2.223 122.693 120.570 -0.168 0.000 2.339 363 I HA 0.172 4.341 4.170 -0.001 0.000 0.290 363 I C -0.149 175.957 176.117 -0.019 0.000 0.994 363 I CA -0.397 60.853 61.300 -0.083 0.000 1.191 363 I CB 1.382 39.315 38.000 -0.111 0.000 1.343 363 I HN -0.157 nan 8.210 nan 0.000 0.458 364 K N 4.139 124.574 120.400 0.058 0.000 2.156 364 K HA 0.302 4.621 4.320 -0.001 0.000 0.250 364 K C 0.040 176.696 176.600 0.094 0.000 0.955 364 K CA -0.663 55.634 56.287 0.016 0.000 0.855 364 K CB 1.609 34.121 32.500 0.020 0.000 1.101 364 K HN 0.418 nan 8.250 nan 0.000 0.434 365 D N 1.479 121.933 120.400 0.091 0.000 2.149 365 D HA -0.179 4.461 4.640 -0.001 0.000 0.198 365 D C 0.907 177.244 176.300 0.061 0.000 0.990 365 D CA 1.437 55.497 54.000 0.101 0.000 0.839 365 D CB 0.169 41.014 40.800 0.076 0.000 0.948 365 D HN 0.522 nan 8.370 nan 0.000 0.460 366 E N 0.307 120.539 120.200 0.055 0.000 2.219 366 E HA -0.211 4.139 4.350 -0.001 0.000 0.198 366 E C 1.712 178.361 176.600 0.081 0.000 0.998 366 E CA 0.876 57.309 56.400 0.055 0.000 0.818 366 E CB -0.050 29.680 29.700 0.050 0.000 0.741 366 E HN 0.416 nan 8.360 nan 0.000 0.477 367 E N -0.206 120.061 120.200 0.111 0.000 2.250 367 E HA -0.031 4.318 4.350 -0.001 0.000 0.192 367 E C 1.624 178.321 176.600 0.162 0.000 0.986 367 E CA 0.253 56.754 56.400 0.168 0.000 0.849 367 E CB 0.177 30.024 29.700 0.244 0.000 0.797 367 E HN 0.234 nan 8.360 nan 0.000 0.482 368 L N -0.442 120.826 121.223 0.074 0.000 2.162 368 L HA 0.177 4.516 4.340 -0.001 0.000 0.205 368 L C 1.678 178.564 176.870 0.026 0.000 1.086 368 L CA 0.555 55.404 54.840 0.016 0.000 0.778 368 L CB -0.509 41.493 42.059 -0.096 0.000 0.928 368 L HN 0.395 nan 8.230 nan 0.000 0.446 369 G N 0.512 109.322 108.800 0.017 0.000 2.552 369 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.267 369 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.267 369 G C 0.214 175.085 174.900 -0.049 0.000 1.174 369 G CA 0.236 45.337 45.100 0.003 0.000 0.955 369 G HN 0.243 nan 8.290 nan 0.000 0.546 370 D N 2.195 122.553 120.400 -0.071 0.000 2.349 370 D HA 0.456 5.096 4.640 -0.001 0.000 0.214 370 D C 1.398 177.549 176.300 -0.250 0.000 1.063 370 D CA 0.847 54.772 54.000 -0.126 0.000 0.847 370 D CB 0.224 40.968 40.800 -0.093 0.000 0.933 370 D HN 0.806 nan 8.370 nan 0.000 0.513 371 A N 1.958 124.605 122.820 -0.288 0.000 2.445 371 A HA 0.337 4.656 4.320 -0.001 0.000 0.242 371 A C -2.206 175.042 177.584 -0.560 0.000 1.075 371 A CA -0.890 50.789 52.037 -0.595 0.000 0.777 371 A CB -0.081 18.702 19.000 -0.362 0.000 1.013 371 A HN -0.118 nan 8.150 nan 0.000 0.493 372 P HA 0.117 nan 4.420 nan 0.000 0.261 372 P C -2.402 174.591 177.300 -0.511 0.000 1.173 372 P CA -0.144 62.648 63.100 -0.513 0.000 0.760 372 P CB -0.148 31.263 31.700 -0.482 0.000 0.783 373 P HA 0.083 nan 4.420 nan 0.000 0.271 373 P C -0.434 176.327 177.300 -0.898 0.000 1.216 373 P CA 0.062 62.754 63.100 -0.680 0.000 0.776 373 P CB 0.176 31.626 31.700 -0.417 0.000 0.881 374 F N 2.076 121.336 119.950 -1.149 0.000 2.651 374 F HA 0.168 4.694 4.527 -0.001 0.000 0.369 374 F C 1.550 176.825 175.800 -0.875 0.000 1.187 374 F CA 0.243 57.697 58.000 -0.909 0.000 1.335 374 F CB -0.594 37.920 39.000 -0.810 0.000 1.707 374 F HN 0.076 nan 8.300 nan 0.000 0.637 375 R N 0.648 120.868 120.500 -0.467 0.000 2.349 375 R HA 0.242 4.581 4.340 -0.001 0.000 0.299 375 R C -0.707 175.523 176.300 -0.116 0.000 1.027 375 R CA -0.702 55.272 56.100 -0.210 0.000 0.958 375 R CB 0.637 30.886 30.300 -0.085 0.000 1.047 375 R HN 0.321 nan 8.270 nan 0.000 0.468 376 W N 3.867 125.191 121.300 0.039 0.000 2.343 376 W HA 0.115 4.775 4.660 -0.001 0.000 0.337 376 W C 1.503 178.034 176.519 0.021 0.000 1.320 376 W CA 1.368 58.727 57.345 0.023 0.000 1.290 376 W CB 0.547 30.028 29.460 0.036 0.000 1.206 376 W HN 0.981 nan 8.180 nan 0.000 0.565 377 G N 2.096 111.054 108.800 0.262 0.000 2.176 377 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.253 377 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.253 377 G C 0.224 175.176 174.900 0.087 0.000 0.979 377 G CA 0.005 45.201 45.100 0.160 0.000 0.641 377 G HN 0.656 nan 8.290 nan 0.000 0.530 378 N N 1.306 120.035 118.700 0.049 0.000 2.421 378 N HA 0.287 5.026 4.740 -0.001 0.000 0.260 378 N C 1.925 177.452 175.510 0.028 0.000 1.173 378 N CA 0.571 53.623 53.050 0.005 0.000 0.960 378 N CB 0.303 38.751 38.487 -0.066 0.000 1.273 378 N HN 0.338 nan 8.380 nan 0.000 0.497 379 T N 0.290 114.877 114.554 0.055 0.000 2.929 379 T HA -0.199 4.151 4.350 -0.001 0.000 0.271 379 T C 1.347 176.173 174.700 0.210 0.000 1.085 379 T CA 0.958 63.132 62.100 0.122 0.000 1.125 379 T CB -0.106 68.849 68.868 0.146 0.000 0.874 379 T HN 0.596 nan 8.240 nan 0.000 0.494 380 E N 0.580 120.833 120.200 0.088 0.000 2.204 380 E HA -0.092 4.257 4.350 -0.001 0.000 0.195 380 E C 1.974 178.646 176.600 0.121 0.000 0.990 380 E CA 0.634 57.075 56.400 0.068 0.000 0.821 380 E CB -0.213 29.439 29.700 -0.081 0.000 0.750 380 E HN 0.431 nan 8.360 nan 0.000 0.477 381 V N 1.060 121.035 119.914 0.101 0.000 2.332 381 V HA -0.290 3.830 4.120 -0.001 0.000 0.248 381 V C 2.323 178.575 176.094 0.263 0.000 1.055 381 V CA 1.520 63.946 62.300 0.211 0.000 1.038 381 V CB -0.397 31.489 31.823 0.106 0.000 0.651 381 V HN 0.379 nan 8.190 nan 0.000 0.450 382 L N -0.930 120.386 121.223 0.155 0.000 2.056 382 L HA -0.189 4.150 4.340 -0.001 0.000 0.207 382 L C 2.544 179.429 176.870 0.026 0.000 1.078 382 L CA 1.845 56.719 54.840 0.056 0.000 0.749 382 L CB -0.775 41.245 42.059 -0.065 0.000 0.901 382 L HN 0.411 nan 8.230 nan 0.000 0.433 383 H N -2.430 116.679 119.070 0.066 0.000 2.389 383 H HA -0.179 4.377 4.556 -0.001 0.000 0.299 383 H C 1.773 177.133 175.328 0.053 0.000 1.081 383 H CA 1.922 57.998 56.048 0.047 0.000 1.345 383 H CB -0.001 29.779 29.762 0.031 0.000 1.393 383 H HN 0.274 nan 8.280 nan 0.000 0.520 384 Y N -0.798 119.524 120.300 0.035 0.000 2.266 384 Y HA -0.081 4.469 4.550 -0.001 0.000 0.294 384 Y C 1.488 177.302 175.900 -0.145 0.000 1.127 384 Y CA 0.785 58.805 58.100 -0.133 0.000 1.140 384 Y CB -0.198 38.060 38.460 -0.338 0.000 1.071 384 Y HN 0.048 nan 8.280 nan 0.000 0.525 385 Y N 0.144 120.557 120.300 0.189 0.000 2.314 385 Y HA -0.152 4.397 4.550 -0.002 0.000 0.293 385 Y C 2.311 178.245 175.900 0.057 0.000 1.129 385 Y CA 1.357 59.538 58.100 0.135 0.000 1.201 385 Y CB -0.481 38.138 38.460 0.265 0.000 0.999 385 Y HN 0.125 nan 8.280 nan 0.000 0.541 386 I N 0.124 120.806 120.570 0.186 0.000 2.118 386 I HA -0.373 3.796 4.170 -0.001 0.000 0.241 386 I C 2.529 178.671 176.117 0.040 0.000 1.070 386 I CA 1.990 63.356 61.300 0.111 0.000 1.327 386 I CB -0.378 37.660 38.000 0.064 0.000 1.034 386 I HN 0.295 nan 8.210 nan 0.000 0.405 387 E N 1.036 121.219 120.200 -0.028 0.000 2.110 387 E HA -0.232 4.117 4.350 -0.001 0.000 0.193 387 E C 2.104 178.659 176.600 -0.074 0.000 0.988 387 E CA 1.023 57.381 56.400 -0.072 0.000 0.804 387 E CB 0.196 29.829 29.700 -0.113 0.000 0.745 387 E HN 0.284 nan 8.360 nan 0.000 0.458 388 K N 0.446 120.796 120.400 -0.083 0.000 2.097 388 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 388 K C 2.164 178.792 176.600 0.046 0.000 1.049 388 K CA 0.912 57.178 56.287 -0.034 0.000 0.933 388 K CB -0.353 32.146 32.500 -0.001 0.000 0.717 388 K HN 0.338 nan 8.250 nan 0.000 0.442 389 I N 1.035 121.660 120.570 0.091 0.000 2.179 389 I HA -0.256 3.913 4.170 -0.001 0.000 0.242 389 I C 2.492 178.587 176.117 -0.036 0.000 1.088 389 I CA 1.196 62.538 61.300 0.071 0.000 1.357 389 I CB -0.473 37.612 38.000 0.142 0.000 1.051 389 I HN 0.043 nan 8.210 nan 0.000 0.409 390 A N 0.718 123.507 122.820 -0.051 0.000 1.908 390 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 390 A C 2.127 179.648 177.584 -0.105 0.000 1.181 390 A CA 1.534 53.509 52.037 -0.103 0.000 0.627 390 A CB -0.289 18.654 19.000 -0.096 0.000 0.818 390 A HN 0.253 nan 8.150 nan 0.000 0.445 391 K N -0.981 119.372 120.400 -0.079 0.000 2.444 391 K HA 0.108 4.427 4.320 -0.001 0.000 0.193 391 K C -0.049 176.521 176.600 -0.050 0.000 1.024 391 K CA 0.060 56.304 56.287 -0.071 0.000 1.077 391 K CB 0.065 32.526 32.500 -0.065 0.000 0.833 391 K HN 0.510 nan 8.250 nan 0.000 0.517 392 R N 1.625 122.098 120.500 -0.043 0.000 3.333 392 R HA -0.168 4.171 4.340 -0.001 0.000 0.256 392 R C -0.895 175.403 176.300 -0.002 0.000 1.010 392 R CA 0.645 56.728 56.100 -0.027 0.000 0.680 392 R CB -1.716 28.559 30.300 -0.042 0.000 1.102 392 R HN 0.392 nan 8.270 nan 0.000 0.440 393 E N -0.460 119.748 120.200 0.015 0.000 2.179 393 E HA 0.449 4.798 4.350 -0.001 0.000 0.275 393 E C 1.118 177.772 176.600 0.091 0.000 0.945 393 E CA 0.100 56.519 56.400 0.031 0.000 0.792 393 E CB 1.421 31.120 29.700 -0.002 0.000 1.125 393 E HN 0.372 nan 8.360 nan 0.000 0.397 394 G N 2.546 111.408 108.800 0.103 0.000 2.634 394 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.309 394 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.309 394 G C 0.555 175.593 174.900 0.231 0.000 1.265 394 G CA 0.638 45.845 45.100 0.179 0.000 0.998 394 G HN 0.628 nan 8.290 nan 0.000 0.551 395 F N 3.099 123.194 119.950 0.241 0.000 2.333 395 F HA 0.156 4.682 4.527 -0.001 0.000 0.300 395 F C 2.679 178.625 175.800 0.244 0.000 1.083 395 F CA 2.147 60.310 58.000 0.272 0.000 1.395 395 F CB -0.455 38.786 39.000 0.402 0.000 1.056 395 F HN 0.516 nan 8.300 nan 0.000 0.529 396 G N -0.609 108.396 108.800 0.342 0.000 2.462 396 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.220 396 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.220 396 G C 1.305 176.242 174.900 0.062 0.000 1.121 396 G CA 1.078 46.314 45.100 0.227 0.000 0.758 396 G HN 0.410 nan 8.290 nan 0.000 0.559 397 D N 0.192 120.596 120.400 0.006 0.000 2.178 397 D HA -0.024 4.615 4.640 -0.001 0.000 0.202 397 D C 2.430 178.672 176.300 -0.098 0.000 0.974 397 D CA 0.935 54.909 54.000 -0.044 0.000 0.841 397 D CB -0.040 40.738 40.800 -0.037 0.000 0.953 397 D HN 0.305 nan 8.370 nan 0.000 0.478 398 K N -0.494 119.778 120.400 -0.214 0.000 2.116 398 K HA 0.064 4.383 4.320 -0.001 0.000 0.203 398 K C 2.140 178.648 176.600 -0.153 0.000 1.052 398 K CA 0.496 56.618 56.287 -0.275 0.000 0.952 398 K CB 0.051 32.186 32.500 -0.609 0.000 0.729 398 K HN 0.191 nan 8.250 nan 0.000 0.446 399 L N 0.631 121.795 121.223 -0.097 0.000 2.201 399 L HA -0.082 4.257 4.340 -0.001 0.000 0.212 399 L C 2.339 179.321 176.870 0.186 0.000 1.105 399 L CA 0.619 55.504 54.840 0.076 0.000 0.775 399 L CB -0.452 41.709 42.059 0.170 0.000 0.913 399 L HN 0.167 nan 8.230 nan 0.000 0.440 400 A N -0.539 122.322 122.820 0.069 0.000 2.172 400 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 400 A C 1.991 179.578 177.584 0.005 0.000 1.154 400 A CA 1.035 53.046 52.037 -0.044 0.000 0.701 400 A CB -0.212 18.715 19.000 -0.121 0.000 0.789 400 A HN 0.310 nan 8.150 nan 0.000 0.465 401 E N -0.629 119.625 120.200 0.091 0.000 2.442 401 E HA 0.276 4.625 4.350 -0.001 0.000 0.195 401 E C 1.076 177.804 176.600 0.214 0.000 1.030 401 E CA 0.753 57.215 56.400 0.103 0.000 0.869 401 E CB -0.222 29.507 29.700 0.047 0.000 0.857 401 E HN 0.728 nan 8.360 nan 0.000 0.505 402 G N 0.856 109.863 108.800 0.344 0.000 2.707 402 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.686 402 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.686 402 G C 0.622 175.590 174.900 0.113 0.000 1.315 402 G CA 0.060 45.319 45.100 0.265 0.000 0.832 402 G HN 0.067 nan 8.290 nan 0.000 0.573 403 S N -0.708 115.014 115.700 0.037 0.000 2.359 403 S HA -0.219 4.250 4.470 -0.001 0.000 0.223 403 S C 1.990 176.631 174.600 0.068 0.000 1.039 403 S CA 2.647 60.866 58.200 0.032 0.000 1.042 403 S CB -0.485 62.730 63.200 0.024 0.000 0.915 403 S HN 1.208 nan 8.310 nan 0.000 0.439 404 Y N 1.941 122.258 120.300 0.029 0.000 2.089 404 Y HA -0.080 4.470 4.550 -0.001 0.000 0.282 404 Y C 2.564 178.487 175.900 0.038 0.000 1.139 404 Y CA 2.184 60.305 58.100 0.035 0.000 1.123 404 Y CB -0.438 38.043 38.460 0.034 0.000 0.980 404 Y HN 0.232 nan 8.280 nan 0.000 0.493 405 R N -0.535 120.041 120.500 0.127 0.000 2.105 405 R HA -0.183 4.156 4.340 -0.001 0.000 0.239 405 R C 2.134 178.417 176.300 -0.029 0.000 1.135 405 R CA 1.515 57.643 56.100 0.045 0.000 0.967 405 R CB -0.651 29.706 30.300 0.096 0.000 0.861 405 R HN 0.372 nan 8.270 nan 0.000 0.442 406 L N 0.550 121.777 121.223 0.007 0.000 2.027 406 L HA -0.075 4.265 4.340 -0.001 0.000 0.206 406 L C 2.251 179.182 176.870 0.103 0.000 1.074 406 L CA 2.018 56.890 54.840 0.053 0.000 0.745 406 L CB -0.625 41.466 42.059 0.052 0.000 0.898 406 L HN 0.121 nan 8.230 nan 0.000 0.433 407 A N -0.864 121.950 122.820 -0.010 0.000 1.933 407 A HA -0.262 4.057 4.320 -0.001 0.000 0.218 407 A C 2.321 179.859 177.584 -0.076 0.000 1.175 407 A CA 1.727 53.752 52.037 -0.020 0.000 0.628 407 A CB -0.773 18.165 19.000 -0.102 0.000 0.814 407 A HN 0.640 nan 8.150 nan 0.000 0.444 408 E N 0.532 120.578 120.200 -0.257 0.000 2.077 408 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 408 E C 2.060 178.571 176.600 -0.148 0.000 0.989 408 E CA 1.632 57.870 56.400 -0.270 0.000 0.800 408 E CB -0.157 29.330 29.700 -0.355 0.000 0.746 408 E HN 0.718 nan 8.360 nan 0.000 0.452 409 S N -0.879 114.750 115.700 -0.119 0.000 2.474 409 S HA -0.135 4.334 4.470 -0.001 0.000 0.235 409 S C 1.280 175.696 174.600 -0.307 0.000 0.997 409 S CA 0.582 58.666 58.200 -0.195 0.000 0.949 409 S CB -0.318 62.746 63.200 -0.227 0.000 0.766 409 S HN 0.393 nan 8.310 nan 0.000 0.517 410 Y N 1.496 121.757 120.300 -0.065 0.000 2.485 410 Y HA 0.424 4.972 4.550 -0.002 0.000 0.260 410 Y C 1.755 177.579 175.900 -0.126 0.000 1.173 410 Y CA -0.239 57.846 58.100 -0.025 0.000 1.252 410 Y CB 0.175 38.665 38.460 0.051 0.000 1.123 410 Y HN 0.394 nan 8.280 nan 0.000 0.524 411 G N 0.406 109.127 108.800 -0.133 0.000 2.160 411 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.244 411 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.244 411 G C -0.230 174.262 174.900 -0.680 0.000 1.022 411 G CA 0.152 45.044 45.100 -0.346 0.000 0.741 411 G HN 0.529 nan 8.290 nan 0.000 0.508 412 H N -1.248 117.744 119.070 -0.131 0.000 2.514 412 H HA 0.227 4.782 4.556 -0.002 0.000 0.226 412 H C -2.074 173.173 175.328 -0.135 0.000 1.421 412 H CA -0.921 55.036 56.048 -0.152 0.000 1.394 412 H CB 1.403 31.013 29.762 -0.253 0.000 1.701 412 H HN 0.181 nan 8.280 nan 0.000 0.515 413 P HA -0.148 nan 4.420 nan 0.000 0.222 413 P C 1.704 178.994 177.300 -0.016 0.000 1.147 413 P CA 0.898 63.894 63.100 -0.175 0.000 0.790 413 P CB 0.424 32.029 31.700 -0.159 0.000 0.780 414 E N 0.478 120.697 120.200 0.032 0.000 2.338 414 E HA -0.114 4.235 4.350 -0.001 0.000 0.197 414 E C 1.491 178.113 176.600 0.035 0.000 1.007 414 E CA 0.874 57.303 56.400 0.048 0.000 0.849 414 E CB -1.073 28.658 29.700 0.053 0.000 0.774 414 E HN 0.319 nan 8.360 nan 0.000 0.506 415 L N 1.112 122.358 121.223 0.039 0.000 2.558 415 L HA 0.110 4.449 4.340 -0.001 0.000 0.225 415 L C 1.305 178.202 176.870 0.046 0.000 1.128 415 L CA 0.030 54.894 54.840 0.039 0.000 0.868 415 L CB 0.055 42.137 42.059 0.038 0.000 1.006 415 L HN -0.043 nan 8.230 nan 0.000 0.454 416 S N 1.297 117.023 115.700 0.043 0.000 2.411 416 S HA 0.264 4.733 4.470 -0.001 0.000 0.294 416 S C 0.502 175.162 174.600 0.100 0.000 1.115 416 S CA -0.676 57.569 58.200 0.075 0.000 1.071 416 S CB 0.376 63.626 63.200 0.083 0.000 0.967 416 S HN 0.055 nan 8.310 nan 0.000 0.488 417 M N 5.812 125.465 119.600 0.088 0.000 3.237 417 M HA 0.193 4.672 4.480 -0.001 0.000 0.266 417 M C 0.288 176.607 176.300 0.031 0.000 1.456 417 M CA 0.016 55.339 55.300 0.038 0.000 1.593 417 M CB -1.345 31.234 32.600 -0.036 0.000 1.129 417 M HN 0.740 nan 8.290 nan 0.000 0.547 418 T N -1.327 113.269 114.554 0.070 0.000 2.906 418 T HA 0.820 5.169 4.350 -0.001 0.000 0.295 418 T C -0.388 174.327 174.700 0.025 0.000 1.075 418 T CA -0.848 61.281 62.100 0.048 0.000 1.005 418 T CB 2.562 71.502 68.868 0.120 0.000 1.136 418 T HN 0.126 nan 8.240 nan 0.000 0.498 419 V N 2.209 122.117 119.914 -0.011 0.000 2.482 419 V HA 0.514 4.634 4.120 -0.001 0.000 0.295 419 V C 0.043 176.146 176.094 0.014 0.000 1.026 419 V CA -1.071 61.227 62.300 -0.003 0.000 0.856 419 V CB 1.158 32.970 31.823 -0.018 0.000 1.001 419 V HN 1.060 nan 8.190 nan 0.000 0.424 420 K N 3.719 124.127 120.400 0.013 0.000 3.129 420 K HA -0.231 4.088 4.320 -0.001 0.000 0.273 420 K C 0.619 177.235 176.600 0.026 0.000 1.123 420 K CA 0.826 57.160 56.287 0.078 0.000 0.800 420 K CB -1.079 31.531 32.500 0.182 0.000 1.238 420 K HN 0.880 nan 8.250 nan 0.000 0.492 421 K N -2.338 118.016 120.400 -0.077 0.000 3.500 421 K HA -0.226 4.093 4.320 -0.001 0.000 0.313 421 K C -0.189 176.438 176.600 0.044 0.000 1.338 421 K CA 1.292 57.550 56.287 -0.049 0.000 0.963 421 K CB -0.989 31.455 32.500 -0.093 0.000 1.267 421 K HN 0.273 nan 8.250 nan 0.000 0.448 422 L N 2.357 123.607 121.223 0.044 0.000 2.275 422 L HA 0.242 4.582 4.340 -0.001 0.000 0.288 422 L C -0.115 176.773 176.870 0.029 0.000 1.046 422 L CA -0.129 54.742 54.840 0.051 0.000 0.805 422 L CB 1.099 43.195 42.059 0.063 0.000 1.193 422 L HN -0.041 nan 8.230 nan 0.000 0.426 423 E N 4.352 124.571 120.200 0.033 0.000 2.465 423 E HA 0.130 4.479 4.350 -0.001 0.000 0.260 423 E C -0.503 176.124 176.600 0.045 0.000 0.980 423 E CA 0.509 56.934 56.400 0.043 0.000 0.927 423 E CB 0.250 29.963 29.700 0.021 0.000 0.934 423 E HN 0.505 nan 8.360 nan 0.000 0.459 424 L N 5.683 126.910 121.223 0.006 0.000 2.461 424 L HA 0.207 4.546 4.340 -0.001 0.000 0.272 424 L C -1.832 175.113 176.870 0.124 0.000 1.197 424 L CA -1.612 53.148 54.840 -0.134 0.000 0.836 424 L CB 0.169 41.962 42.059 -0.444 0.000 1.105 424 L HN 0.452 nan 8.230 nan 0.000 0.477 425 P HA 0.148 nan 4.420 nan 0.000 0.297 425 P C -0.659 176.163 177.300 -0.796 0.000 1.307 425 P CA -0.697 62.292 63.100 -0.184 0.000 0.773 425 P CB 0.543 32.186 31.700 -0.094 0.000 1.265 426 A N -0.381 121.647 122.820 -1.319 0.000 2.358 426 A HA 0.107 4.426 4.320 -0.001 0.000 0.232 426 A C -0.720 176.065 177.584 -1.331 0.000 1.498 426 A CA 0.720 51.572 52.037 -1.976 0.000 1.400 426 A CB -1.970 16.095 19.000 -1.558 0.000 0.852 426 A HN 0.412 nan 8.150 nan 0.000 0.605 427 Y N -1.170 118.988 120.300 -0.237 0.000 2.358 427 Y HA 0.264 4.813 4.550 -0.001 0.000 0.324 427 Y C -0.489 175.549 175.900 0.231 0.000 1.123 427 Y CA -1.680 56.450 58.100 0.051 0.000 1.067 427 Y CB 1.178 39.723 38.460 0.141 0.000 1.230 427 Y HN 0.254 nan 8.280 nan 0.000 0.429 428 D N 5.832 126.426 120.400 0.323 0.000 2.325 428 D HA 0.128 4.767 4.640 -0.001 0.000 0.251 428 D C -1.588 174.856 176.300 0.240 0.000 1.196 428 D CA -1.783 52.447 54.000 0.384 0.000 0.866 428 D CB 1.782 42.812 40.800 0.382 0.000 1.101 428 D HN 0.262 nan 8.370 nan 0.000 0.476 429 P HA -0.116 nan 4.420 nan 0.000 0.222 429 P C 0.967 178.304 177.300 0.061 0.000 1.147 429 P CA 0.623 63.728 63.100 0.008 0.000 0.790 429 P CB 0.330 31.951 31.700 -0.132 0.000 0.780 430 R N -0.470 120.139 120.500 0.182 0.000 2.285 430 R HA 0.039 4.378 4.340 -0.001 0.000 0.213 430 R C 2.182 178.616 176.300 0.222 0.000 1.068 430 R CA 1.142 57.388 56.100 0.245 0.000 1.004 430 R CB -0.602 29.889 30.300 0.319 0.000 0.873 430 R HN 0.259 nan 8.270 nan 0.000 0.467 431 G N -0.819 108.049 108.800 0.113 0.000 3.159 431 G HA2 0.345 4.304 3.960 -0.001 0.000 0.232 431 G HA3 0.345 4.304 3.960 -0.001 0.000 0.232 431 G C -0.061 174.710 174.900 -0.215 0.000 1.116 431 G CA 0.266 45.365 45.100 -0.001 0.000 0.767 431 G HN 0.222 nan 8.290 nan 0.000 0.547 432 A N 0.307 123.012 122.820 -0.193 0.000 2.893 432 A HA 0.502 4.822 4.320 -0.001 0.000 0.298 432 A C 0.535 178.001 177.584 -0.197 0.000 1.227 432 A CA -0.343 51.532 52.037 -0.269 0.000 0.845 432 A CB 0.252 19.087 19.000 -0.275 0.000 1.430 432 A HN 0.111 nan 8.150 nan 0.000 0.493 433 E N 1.027 121.112 120.200 -0.192 0.000 2.110 433 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 433 E C 2.036 178.547 176.600 -0.147 0.000 0.988 433 E CA 1.353 57.688 56.400 -0.108 0.000 0.804 433 E CB 0.159 29.845 29.700 -0.023 0.000 0.745 433 E HN 0.790 nan 8.360 nan 0.000 0.458 434 G N 0.479 109.173 108.800 -0.177 0.000 2.408 434 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.217 434 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.217 434 G C 1.342 176.094 174.900 -0.246 0.000 1.150 434 G CA 0.725 45.710 45.100 -0.192 0.000 0.776 434 G HN 0.334 nan 8.290 nan 0.000 0.542 435 H N 0.799 119.621 119.070 -0.414 0.000 2.387 435 H HA -0.087 4.468 4.556 -0.001 0.000 0.299 435 H C 2.774 177.692 175.328 -0.683 0.000 1.090 435 H CA 1.106 56.811 56.048 -0.571 0.000 1.332 435 H CB -0.151 29.237 29.762 -0.623 0.000 1.386 435 H HN 0.360 nan 8.280 nan 0.000 0.516 436 G N 1.122 109.653 108.800 -0.448 0.000 2.421 436 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.216 436 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.216 436 G C 1.841 176.579 174.900 -0.270 0.000 1.171 436 G CA 0.432 45.324 45.100 -0.348 0.000 0.775 436 G HN 0.360 nan 8.290 nan 0.000 0.543 437 L N 0.725 121.796 121.223 -0.253 0.000 2.131 437 L HA -0.030 4.309 4.340 -0.001 0.000 0.210 437 L C 2.980 179.672 176.870 -0.296 0.000 1.092 437 L CA 1.390 56.078 54.840 -0.254 0.000 0.759 437 L CB -0.595 41.312 42.059 -0.253 0.000 0.903 437 L HN 0.350 nan 8.230 nan 0.000 0.435 438 G N -1.034 107.559 108.800 -0.345 0.000 2.446 438 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.217 438 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.217 438 G C 1.220 176.028 174.900 -0.152 0.000 1.168 438 G CA 0.656 45.575 45.100 -0.302 0.000 0.771 438 G HN 0.278 nan 8.290 nan 0.000 0.551 439 Y N 1.353 121.505 120.300 -0.247 0.000 2.128 439 Y HA -0.028 4.522 4.550 -0.001 0.000 0.284 439 Y C 3.193 179.029 175.900 -0.107 0.000 1.154 439 Y CA 0.335 58.330 58.100 -0.174 0.000 1.149 439 Y CB -1.159 37.166 38.460 -0.224 0.000 0.976 439 Y HN 0.269 nan 8.280 nan 0.000 0.505 440 A N -0.449 122.397 122.820 0.045 0.000 1.940 440 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 440 A C 2.248 179.828 177.584 -0.006 0.000 1.176 440 A CA 2.591 54.628 52.037 -0.000 0.000 0.631 440 A CB -1.116 17.854 19.000 -0.050 0.000 0.814 440 A HN 0.529 nan 8.150 nan 0.000 0.446 441 T N -3.281 111.244 114.554 -0.049 0.000 3.014 441 T HA 0.079 4.428 4.350 -0.001 0.000 0.250 441 T C 0.738 175.597 174.700 0.264 0.000 1.060 441 T CA 0.104 62.224 62.100 0.033 0.000 1.040 441 T CB -0.468 68.210 68.868 -0.317 0.000 0.971 441 T HN 0.279 nan 8.240 nan 0.000 0.497 442 N N 2.873 121.715 118.700 0.237 0.000 2.359 442 N HA -0.010 4.729 4.740 -0.001 0.000 0.261 442 N C 0.664 176.261 175.510 0.145 0.000 1.267 442 N CA 0.114 53.368 53.050 0.340 0.000 0.864 442 N CB 0.270 38.898 38.487 0.236 0.000 1.063 442 N HN 0.182 nan 8.380 nan 0.000 0.474 443 N N 2.599 121.268 118.700 -0.052 0.000 2.348 443 N HA -0.194 4.545 4.740 -0.001 0.000 0.185 443 N C 1.249 176.682 175.510 -0.128 0.000 1.019 443 N CA 0.851 53.750 53.050 -0.252 0.000 0.880 443 N CB -0.049 38.077 38.487 -0.602 0.000 0.965 443 N HN 0.699 nan 8.380 nan 0.000 0.437 444 R N -0.077 120.401 120.500 -0.038 0.000 2.362 444 R HA 0.260 4.599 4.340 -0.001 0.000 0.227 444 R C 0.532 176.876 176.300 0.074 0.000 0.905 444 R CA 0.596 56.710 56.100 0.024 0.000 1.067 444 R CB 0.253 30.565 30.300 0.020 0.000 1.078 444 R HN 0.021 nan 8.270 nan 0.000 0.516 445 G N -0.255 108.582 108.800 0.062 0.000 2.409 445 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.421 445 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.421 445 G C -0.309 174.633 174.900 0.070 0.000 1.259 445 G CA -0.670 44.473 45.100 0.071 0.000 1.011 445 G HN 0.303 nan 8.290 nan 0.000 0.497 446 G N -0.459 108.358 108.800 0.027 0.000 2.624 446 G HA2 0.523 4.482 3.960 -0.001 0.000 0.292 446 G HA3 0.523 4.482 3.960 -0.001 0.000 0.292 446 G C 0.398 175.299 174.900 0.002 0.000 0.777 446 G CA 1.320 46.390 45.100 -0.049 0.000 1.883 446 G HN 1.725 nan 8.290 nan 0.000 0.505 447 C N 4.065 123.467 119.300 0.170 0.000 2.802 447 C HA 0.732 5.191 4.460 -0.001 0.000 0.307 447 C C 1.302 176.556 174.990 0.439 0.000 1.222 447 C CA -0.768 58.419 59.018 0.281 0.000 1.580 447 C CB 1.427 29.280 27.740 0.187 0.000 2.119 447 C HN 0.851 nan 8.230 nan 0.000 0.479 448 H N 3.277 122.581 119.070 0.390 0.000 2.460 448 H HA 0.096 4.652 4.556 -0.001 0.000 0.297 448 H C 1.423 177.004 175.328 0.422 0.000 1.023 448 H CA 1.685 58.013 56.048 0.467 0.000 1.321 448 H CB -0.625 29.603 29.762 0.777 0.000 1.455 448 H HN 0.619 nan 8.280 nan 0.000 0.539 449 I N 0.424 120.667 120.570 -0.546 0.000 3.001 449 I HA 0.005 4.175 4.170 -0.001 0.000 0.268 449 I C 1.366 177.476 176.117 -0.012 0.000 1.267 449 I CA 0.629 61.767 61.300 -0.271 0.000 1.472 449 I CB -0.289 37.478 38.000 -0.388 0.000 1.089 449 I HN -0.127 nan 8.210 nan 0.000 0.468 450 K N 2.094 122.531 120.400 0.063 0.000 2.487 450 K HA 0.110 4.429 4.320 -0.001 0.000 0.192 450 K C -0.278 176.458 176.600 0.226 0.000 1.027 450 K CA 0.344 56.730 56.287 0.165 0.000 1.054 450 K CB -0.808 31.826 32.500 0.222 0.000 0.824 450 K HN 0.722 nan 8.250 nan 0.000 0.510 451 N N -1.398 117.416 118.700 0.190 0.000 2.884 451 N HA -0.069 4.670 4.740 -0.001 0.000 0.211 451 N C -1.289 174.280 175.510 0.098 0.000 1.442 451 N CA -0.533 52.605 53.050 0.147 0.000 0.757 451 N CB -1.018 37.490 38.487 0.036 0.000 1.461 451 N HN -0.138 nan 8.380 nan 0.000 0.557 452 Y N 1.975 122.269 120.300 -0.011 0.000 2.604 452 Y HA 0.157 4.706 4.550 -0.001 0.000 0.341 452 Y C 0.996 176.573 175.900 -0.539 0.000 1.249 452 Y CA -0.475 57.553 58.100 -0.120 0.000 1.926 452 Y CB 0.207 38.672 38.460 0.008 0.000 1.941 452 Y HN 0.415 nan 8.280 nan 0.000 0.426 453 M N 2.518 121.795 119.600 -0.538 0.000 2.632 453 M HA -0.163 4.317 4.480 -0.001 0.000 0.256 453 M C 1.590 177.371 176.300 -0.866 0.000 1.080 453 M CA 0.623 55.482 55.300 -0.734 0.000 1.084 453 M CB -0.483 31.874 32.600 -0.405 0.000 1.439 453 M HN 0.546 nan 8.290 nan 0.000 0.509 454 I N -0.664 119.122 120.570 -1.307 0.000 2.493 454 I HA -0.178 3.991 4.170 -0.001 0.000 0.254 454 I C 2.257 177.890 176.117 -0.806 0.000 1.160 454 I CA 0.830 61.377 61.300 -1.255 0.000 1.445 454 I CB -1.094 35.836 38.000 -1.783 0.000 1.086 454 I HN 0.217 nan 8.210 nan 0.000 0.433 455 S N 1.598 116.836 115.700 -0.769 0.000 2.351 455 S HA -0.078 4.391 4.470 -0.001 0.000 0.220 455 S C -0.201 174.312 174.600 -0.145 0.000 1.035 455 S CA 1.821 59.900 58.200 -0.202 0.000 1.031 455 S CB -1.125 62.097 63.200 0.038 0.000 0.928 455 S HN 0.356 nan 8.310 nan 0.000 0.433 456 P HA -0.013 nan 4.420 nan 0.000 0.217 456 P C 0.870 178.022 177.300 -0.246 0.000 1.154 456 P CA 1.073 64.022 63.100 -0.252 0.000 0.841 456 P CB -0.052 31.451 31.700 -0.328 0.000 0.788 457 E N -0.982 119.025 120.200 -0.322 0.000 2.150 457 E HA -0.081 4.268 4.350 -0.001 0.000 0.193 457 E C 1.635 178.093 176.600 -0.238 0.000 0.985 457 E CA 0.907 57.136 56.400 -0.286 0.000 0.814 457 E CB -0.144 29.346 29.700 -0.350 0.000 0.752 457 E HN 0.249 nan 8.360 nan 0.000 0.466 458 I N -1.015 119.410 120.570 -0.241 0.000 4.033 458 I HA -0.049 4.120 4.170 -0.001 0.000 0.296 458 I C 1.594 177.665 176.117 -0.078 0.000 1.210 458 I CA 0.349 61.549 61.300 -0.166 0.000 1.341 458 I CB 0.429 38.311 38.000 -0.198 0.000 1.369 458 I HN -0.043 nan 8.210 nan 0.000 0.453 459 L N -0.049 121.152 121.223 -0.036 0.000 2.375 459 L HA 0.336 4.675 4.340 -0.001 0.000 0.215 459 L C 1.354 178.339 176.870 0.193 0.000 1.108 459 L CA 0.789 55.699 54.840 0.117 0.000 0.830 459 L CB -0.432 41.769 42.059 0.237 0.000 0.959 459 L HN 0.436 nan 8.230 nan 0.000 0.457 460 G N -0.582 108.279 108.800 0.102 0.000 2.140 460 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.211 460 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.211 460 G C -0.418 174.458 174.900 -0.040 0.000 1.013 460 G CA -0.520 44.593 45.100 0.023 0.000 0.705 460 G HN 0.236 nan 8.290 nan 0.000 0.508 461 Y N -1.006 119.315 120.300 0.035 0.000 2.331 461 Y HA 0.479 5.028 4.550 -0.001 0.000 0.334 461 Y C -1.406 174.506 175.900 0.020 0.000 0.960 461 Y CA -2.159 55.979 58.100 0.064 0.000 1.130 461 Y CB 2.284 40.819 38.460 0.126 0.000 1.164 461 Y HN -0.031 nan 8.280 nan 0.000 0.458 462 P HA -0.121 nan 4.420 nan 0.000 0.218 462 P C -1.257 176.075 177.300 0.052 0.000 1.149 462 P CA 1.600 64.731 63.100 0.052 0.000 0.817 462 P CB 0.184 31.908 31.700 0.040 0.000 0.785 463 Y N -5.328 114.973 120.300 0.001 0.000 2.641 463 Y HA 0.601 5.150 4.550 -0.001 0.000 0.333 463 Y C -0.606 175.277 175.900 -0.029 0.000 1.174 463 Y CA -2.541 55.529 58.100 -0.050 0.000 1.057 463 Y CB 0.280 38.715 38.460 -0.041 0.000 1.322 463 Y HN -0.483 nan 8.280 nan 0.000 0.457 464 K N 2.401 122.873 120.400 0.121 0.000 2.436 464 K HA 0.332 4.651 4.320 -0.001 0.000 0.282 464 K C -0.994 175.658 176.600 0.086 0.000 1.044 464 K CA 0.469 56.782 56.287 0.043 0.000 1.028 464 K CB 0.082 32.602 32.500 0.032 0.000 0.919 464 K HN 0.819 nan 8.250 nan 0.000 0.474 465 M N 2.429 122.012 119.600 -0.028 0.000 2.724 465 M HA 0.226 4.705 4.480 -0.001 0.000 0.310 465 M C -0.612 175.654 176.300 -0.056 0.000 1.217 465 M CA -1.058 54.233 55.300 -0.015 0.000 0.894 465 M CB 1.762 34.310 32.600 -0.086 0.000 1.719 465 M HN 0.618 nan 8.290 nan 0.000 0.479 466 D N 1.946 122.319 120.400 -0.045 0.000 2.264 466 D HA 0.201 4.840 4.640 -0.001 0.000 0.250 466 D C -1.573 174.641 176.300 -0.143 0.000 1.113 466 D CA -1.560 52.400 54.000 -0.067 0.000 0.871 466 D CB 1.263 42.053 40.800 -0.016 0.000 1.167 466 D HN 0.194 nan 8.370 nan 0.000 0.447 467 P HA -0.149 nan 4.420 nan 0.000 0.225 467 P C 0.154 177.125 177.300 -0.548 0.000 1.148 467 P CA 1.083 63.931 63.100 -0.420 0.000 0.779 467 P CB 0.252 31.642 31.700 -0.518 0.000 0.780 468 H N -1.005 117.998 119.070 -0.112 0.000 2.592 468 H HA 0.181 4.736 4.556 -0.001 0.000 0.279 468 H C -0.094 175.210 175.328 -0.040 0.000 1.089 468 H CA -0.447 55.546 56.048 -0.091 0.000 1.150 468 H CB 0.038 29.733 29.762 -0.113 0.000 1.575 468 H HN 0.190 nan 8.280 nan 0.000 0.547 469 D N 1.705 122.111 120.400 0.010 0.000 2.339 469 D HA 0.061 4.700 4.640 -0.001 0.000 0.241 469 D C 1.058 177.354 176.300 -0.006 0.000 1.183 469 D CA -0.446 53.561 54.000 0.012 0.000 0.859 469 D CB 1.103 41.900 40.800 -0.005 0.000 1.067 469 D HN 0.060 nan 8.370 nan 0.000 0.484 470 V N 1.929 121.850 119.914 0.012 0.000 3.043 470 V HA 0.281 4.400 4.120 -0.001 0.000 0.357 470 V C 0.683 176.776 176.094 -0.002 0.000 1.372 470 V CA -0.039 62.260 62.300 -0.001 0.000 1.214 470 V CB -1.014 30.817 31.823 0.014 0.000 1.224 470 V HN 0.461 nan 8.190 nan 0.000 0.507 471 S N -0.225 115.475 115.700 -0.000 0.000 2.640 471 S HA 0.221 4.690 4.470 -0.001 0.000 0.262 471 S C 0.796 175.393 174.600 -0.005 0.000 1.232 471 S CA 0.314 58.515 58.200 0.001 0.000 0.988 471 S CB 0.741 63.944 63.200 0.006 0.000 1.034 471 S HN 0.344 nan 8.310 nan 0.000 0.569 472 D N 0.644 121.041 120.400 -0.005 0.000 2.218 472 D HA -0.049 4.590 4.640 -0.001 0.000 0.204 472 D C 1.255 177.550 176.300 -0.009 0.000 0.976 472 D CA 1.228 55.221 54.000 -0.010 0.000 0.853 472 D CB -0.565 40.228 40.800 -0.012 0.000 0.939 472 D HN 0.586 nan 8.370 nan 0.000 0.481 473 D N 0.028 120.429 120.400 0.001 0.000 2.144 473 D HA -0.130 4.509 4.640 -0.001 0.000 0.200 473 D C 1.903 178.207 176.300 0.007 0.000 0.978 473 D CA 0.899 54.907 54.000 0.014 0.000 0.833 473 D CB -0.014 40.805 40.800 0.032 0.000 0.961 473 D HN 0.044 nan 8.370 nan 0.000 0.470 474 K N 0.867 121.261 120.400 -0.009 0.000 2.025 474 K HA -0.008 4.311 4.320 -0.001 0.000 0.207 474 K C 1.829 178.406 176.600 -0.038 0.000 1.049 474 K CA 0.917 57.183 56.287 -0.036 0.000 0.933 474 K CB -0.480 31.990 32.500 -0.050 0.000 0.714 474 K HN 0.147 nan 8.250 nan 0.000 0.438 475 I N 0.524 121.080 120.570 -0.023 0.000 2.361 475 I HA -0.276 3.893 4.170 -0.001 0.000 0.251 475 I C 1.978 178.088 176.117 -0.012 0.000 1.133 475 I CA 1.282 62.580 61.300 -0.003 0.000 1.413 475 I CB -0.205 37.801 38.000 0.010 0.000 1.073 475 I HN 0.166 nan 8.210 nan 0.000 0.424 476 K N -0.109 120.278 120.400 -0.023 0.000 2.155 476 K HA -0.094 4.225 4.320 -0.001 0.000 0.203 476 K C 2.168 178.765 176.600 -0.005 0.000 1.052 476 K CA 1.017 57.285 56.287 -0.031 0.000 0.948 476 K CB -0.057 32.431 32.500 -0.019 0.000 0.728 476 K HN 0.145 nan 8.250 nan 0.000 0.448 477 M N 0.720 120.328 119.600 0.014 0.000 2.117 477 M HA -0.107 4.372 4.480 -0.001 0.000 0.262 477 M C 2.134 178.503 176.300 0.115 0.000 1.065 477 M CA 1.233 56.574 55.300 0.068 0.000 1.114 477 M CB -0.619 31.982 32.600 0.002 0.000 1.361 477 M HN 0.143 nan 8.290 nan 0.000 0.408 478 L N 0.536 121.764 121.223 0.009 0.000 1.994 478 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 478 L C 2.163 179.022 176.870 -0.019 0.000 1.071 478 L CA 1.789 56.618 54.840 -0.018 0.000 0.745 478 L CB -0.740 41.288 42.059 -0.052 0.000 0.892 478 L HN 0.239 nan 8.230 nan 0.000 0.431 479 I N -0.958 119.578 120.570 -0.058 0.000 2.208 479 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 479 I C 2.429 178.450 176.117 -0.160 0.000 1.097 479 I CA 1.401 62.588 61.300 -0.189 0.000 1.363 479 I CB -0.485 37.368 38.000 -0.246 0.000 1.051 479 I HN 0.383 nan 8.210 nan 0.000 0.413 480 L N 0.558 121.741 121.223 -0.066 0.000 2.012 480 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 480 L C 2.268 179.083 176.870 -0.091 0.000 1.073 480 L CA 2.015 56.815 54.840 -0.067 0.000 0.748 480 L CB -0.824 41.215 42.059 -0.033 0.000 0.891 480 L HN 0.024 nan 8.230 nan 0.000 0.431 481 F N -0.092 119.786 119.950 -0.119 0.000 2.171 481 F HA -0.210 4.316 4.527 -0.001 0.000 0.300 481 F C 2.613 178.339 175.800 -0.124 0.000 1.090 481 F CA 1.796 59.737 58.000 -0.099 0.000 1.293 481 F CB -0.356 38.591 39.000 -0.087 0.000 1.013 481 F HN 0.234 nan 8.300 nan 0.000 0.486 482 Q N -0.209 119.543 119.800 -0.081 0.000 2.046 482 Q HA -0.195 4.144 4.340 -0.001 0.000 0.200 482 Q C 1.745 177.663 176.000 -0.137 0.000 0.975 482 Q CA 1.629 57.230 55.803 -0.336 0.000 0.836 482 Q CB -0.215 27.844 28.738 -1.131 0.000 0.896 482 Q HN 0.336 nan 8.270 nan 0.000 0.428 483 D N 0.557 120.874 120.400 -0.138 0.000 2.103 483 D HA -0.126 4.513 4.640 -0.001 0.000 0.199 483 D C 1.830 178.137 176.300 0.011 0.000 0.978 483 D CA 0.632 54.631 54.000 -0.001 0.000 0.829 483 D CB -0.208 40.572 40.800 -0.032 0.000 0.981 483 D HN 0.078 nan 8.370 nan 0.000 0.464 484 L N 0.835 122.019 121.223 -0.065 0.000 2.083 484 L HA -0.113 4.226 4.340 -0.001 0.000 0.209 484 L C 2.033 178.832 176.870 -0.117 0.000 1.083 484 L CA 1.687 56.460 54.840 -0.113 0.000 0.752 484 L CB -0.839 41.088 42.059 -0.220 0.000 0.899 484 L HN -0.060 nan 8.230 nan 0.000 0.433 485 T N -0.319 114.200 114.554 -0.059 0.000 2.867 485 T HA -0.065 4.285 4.350 -0.001 0.000 0.268 485 T C 1.886 176.603 174.700 0.029 0.000 1.057 485 T CA 1.035 63.125 62.100 -0.018 0.000 1.136 485 T CB -0.392 68.520 68.868 0.074 0.000 0.874 485 T HN 0.514 nan 8.240 nan 0.000 0.466 486 A N 1.200 124.084 122.820 0.107 0.000 1.930 486 A HA 0.057 4.376 4.320 -0.001 0.000 0.217 486 A C 2.184 179.819 177.584 0.084 0.000 1.175 486 A CA 1.004 53.132 52.037 0.151 0.000 0.627 486 A CB -0.649 18.509 19.000 0.264 0.000 0.815 486 A HN 0.408 nan 8.150 nan 0.000 0.443 487 L N 0.171 121.418 121.223 0.039 0.000 1.988 487 L HA -0.089 4.250 4.340 -0.001 0.000 0.207 487 L C 2.253 179.068 176.870 -0.092 0.000 1.071 487 L CA 1.904 56.747 54.840 0.005 0.000 0.744 487 L CB -0.529 41.520 42.059 -0.017 0.000 0.893 487 L HN 0.418 nan 8.230 nan 0.000 0.433 488 I N -0.122 120.319 120.570 -0.216 0.000 2.194 488 I HA -0.322 3.847 4.170 -0.001 0.000 0.246 488 I C 2.085 178.114 176.117 -0.146 0.000 1.093 488 I CA 1.485 62.605 61.300 -0.300 0.000 1.355 488 I CB -0.617 37.139 38.000 -0.406 0.000 1.046 488 I HN 0.351 nan 8.210 nan 0.000 0.413 489 D N 0.491 120.842 120.400 -0.082 0.000 2.097 489 D HA -0.131 4.508 4.640 -0.001 0.000 0.195 489 D C 2.424 178.719 176.300 -0.010 0.000 0.989 489 D CA 1.347 55.321 54.000 -0.042 0.000 0.827 489 D CB -0.106 40.687 40.800 -0.012 0.000 0.966 489 D HN 0.152 nan 8.370 nan 0.000 0.456 490 S N 0.078 115.790 115.700 0.019 0.000 2.383 490 S HA -0.100 4.370 4.470 -0.001 0.000 0.227 490 S C 2.024 176.649 174.600 0.043 0.000 1.026 490 S CA 0.961 59.196 58.200 0.058 0.000 0.981 490 S CB -0.126 63.141 63.200 0.112 0.000 0.818 490 S HN 0.359 nan 8.310 nan 0.000 0.472 491 A N 0.518 123.337 122.820 -0.002 0.000 1.969 491 A HA 0.334 4.653 4.320 -0.001 0.000 0.218 491 A C 1.839 179.422 177.584 -0.001 0.000 1.169 491 A CA 1.441 53.465 52.037 -0.020 0.000 0.635 491 A CB -0.851 18.105 19.000 -0.073 0.000 0.810 491 A HN 1.041 nan 8.150 nan 0.000 0.445 492 G N -2.891 105.909 108.800 0.000 0.000 2.148 492 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.203 492 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.203 492 G C -0.183 174.729 174.900 0.020 0.000 0.993 492 G CA 0.155 45.269 45.100 0.023 0.000 0.661 492 G HN 0.327 nan 8.290 nan 0.000 0.518 493 L N -0.008 121.210 121.223 -0.010 0.000 2.416 493 L HA 0.815 5.155 4.340 -0.001 0.000 0.263 493 L C 1.111 177.951 176.870 -0.051 0.000 1.065 493 L CA -1.305 53.533 54.840 -0.003 0.000 0.798 493 L CB 1.219 43.286 42.059 0.013 0.000 1.267 493 L HN 0.366 nan 8.230 nan 0.000 0.467 494 C N 0.695 119.967 119.300 -0.046 0.000 2.365 494 C HA 0.338 4.797 4.460 -0.001 0.000 0.351 494 C C 1.725 176.639 174.990 -0.127 0.000 1.240 494 C CA -0.705 58.236 59.018 -0.129 0.000 2.062 494 C CB 0.233 27.903 27.740 -0.117 0.000 2.387 494 C HN 0.755 nan 8.230 nan 0.000 0.537 495 L N 4.348 125.428 121.223 -0.239 0.000 2.275 495 L HA 0.112 4.451 4.340 -0.001 0.000 0.215 495 L C 1.533 178.429 176.870 0.044 0.000 1.119 495 L CA 1.834 56.587 54.840 -0.144 0.000 0.790 495 L CB -0.670 41.281 42.059 -0.179 0.000 0.919 495 L HN 0.786 nan 8.230 nan 0.000 0.443 496 F N -0.573 119.402 119.950 0.043 0.000 2.546 496 F HA -0.056 4.470 4.527 -0.001 0.000 0.298 496 F C 2.471 178.360 175.800 0.149 0.000 1.120 496 F CA 0.954 59.044 58.000 0.151 0.000 1.456 496 F CB -2.066 37.056 39.000 0.204 0.000 1.088 496 F HN 0.270 nan 8.300 nan 0.000 0.572 497 T N -3.409 111.300 114.554 0.257 0.000 3.051 497 T HA -0.138 4.211 4.350 -0.001 0.000 0.269 497 T C 1.857 176.658 174.700 0.169 0.000 1.127 497 T CA 1.292 63.519 62.100 0.213 0.000 1.107 497 T CB -1.074 67.931 68.868 0.228 0.000 0.898 497 T HN 0.356 nan 8.240 nan 0.000 0.517 498 T N -0.841 113.764 114.554 0.085 0.000 3.051 498 T HA 0.063 4.412 4.350 -0.001 0.000 0.269 498 T C 0.387 174.981 174.700 -0.177 0.000 1.127 498 T CA 0.045 62.122 62.100 -0.039 0.000 1.107 498 T CB -0.915 67.864 68.868 -0.149 0.000 0.898 498 T HN 0.358 nan 8.240 nan 0.000 0.517 499 F N 2.209 122.169 119.950 0.016 0.000 2.606 499 F HA 0.614 5.141 4.527 -0.001 0.000 0.347 499 F C 1.550 177.400 175.800 0.084 0.000 1.207 499 F CA -0.469 57.432 58.000 -0.166 0.000 1.306 499 F CB 0.163 38.956 39.000 -0.345 0.000 1.657 499 F HN 0.341 nan 8.300 nan 0.000 0.606 500 G N 0.061 109.037 108.800 0.293 0.000 3.345 500 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.199 500 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.199 500 G C -0.179 174.771 174.900 0.083 0.000 1.057 500 G CA -0.656 44.564 45.100 0.200 0.000 0.865 500 G HN 0.199 nan 8.290 nan 0.000 0.449 501 L N 1.062 122.300 121.223 0.024 0.000 2.334 501 L HA 0.814 5.153 4.340 -0.001 0.000 0.270 501 L C 0.791 177.592 176.870 -0.115 0.000 1.018 501 L CA -0.469 54.291 54.840 -0.135 0.000 0.811 501 L CB 1.812 43.668 42.059 -0.339 0.000 1.271 501 L HN 0.338 nan 8.230 nan 0.000 0.443 502 G N -0.769 107.909 108.800 -0.203 0.000 2.818 502 G HA2 0.521 4.480 3.960 -0.001 0.000 0.286 502 G HA3 0.521 4.480 3.960 -0.001 0.000 0.286 502 G C 0.457 175.324 174.900 -0.055 0.000 1.364 502 G CA 0.058 45.125 45.100 -0.056 0.000 0.938 502 G HN 0.695 nan 8.290 nan 0.000 0.490 503 A N -0.182 122.705 122.820 0.111 0.000 1.927 503 A HA -0.139 4.180 4.320 -0.001 0.000 0.220 503 A C 1.889 179.546 177.584 0.123 0.000 1.185 503 A CA 2.652 54.805 52.037 0.194 0.000 0.639 503 A CB -0.583 18.486 19.000 0.115 0.000 0.820 503 A HN 0.528 nan 8.150 nan 0.000 0.451 504 D N 0.101 120.525 120.400 0.040 0.000 2.144 504 D HA -0.108 4.532 4.640 -0.001 0.000 0.199 504 D C 1.373 177.656 176.300 -0.028 0.000 0.984 504 D CA 1.312 55.331 54.000 0.032 0.000 0.834 504 D CB -0.428 40.382 40.800 0.016 0.000 0.955 504 D HN 0.479 nan 8.370 nan 0.000 0.465 505 D N -0.351 119.955 120.400 -0.158 0.000 2.219 505 D HA -0.132 4.507 4.640 -0.001 0.000 0.205 505 D C 1.813 177.944 176.300 -0.281 0.000 0.970 505 D CA 0.658 54.505 54.000 -0.256 0.000 0.851 505 D CB -0.125 40.442 40.800 -0.388 0.000 0.943 505 D HN 0.337 nan 8.370 nan 0.000 0.488 506 Y N 1.004 121.274 120.300 -0.050 0.000 2.286 506 Y HA -0.000 4.549 4.550 -0.001 0.000 0.293 506 Y C 2.498 178.286 175.900 -0.186 0.000 1.124 506 Y CA 0.379 58.413 58.100 -0.110 0.000 1.178 506 Y CB -0.358 38.028 38.460 -0.123 0.000 1.010 506 Y HN -0.138 nan 8.280 nan 0.000 0.536 507 R N 0.652 121.162 120.500 0.018 0.000 2.081 507 R HA -0.164 4.175 4.340 -0.001 0.000 0.235 507 R C 1.317 177.673 176.300 0.093 0.000 1.131 507 R CA 1.980 58.118 56.100 0.063 0.000 0.960 507 R CB -0.250 30.223 30.300 0.288 0.000 0.856 507 R HN 0.254 nan 8.270 nan 0.000 0.436 508 D N 0.844 121.278 120.400 0.056 0.000 2.084 508 D HA -0.168 4.471 4.640 -0.001 0.000 0.194 508 D C 2.079 178.410 176.300 0.051 0.000 0.990 508 D CA 1.181 55.211 54.000 0.050 0.000 0.826 508 D CB -0.330 40.473 40.800 0.006 0.000 0.971 508 D HN 0.248 nan 8.370 nan 0.000 0.453 509 L N 0.212 121.452 121.223 0.028 0.000 2.046 509 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 509 L C 2.573 179.505 176.870 0.102 0.000 1.077 509 L CA 0.744 55.643 54.840 0.099 0.000 0.747 509 L CB -0.312 41.794 42.059 0.078 0.000 0.896 509 L HN 0.040 nan 8.230 nan 0.000 0.432 510 L N -0.768 120.428 121.223 -0.045 0.000 2.109 510 L HA -0.170 4.169 4.340 -0.001 0.000 0.207 510 L C 2.109 178.896 176.870 -0.137 0.000 1.086 510 L CA 1.387 56.120 54.840 -0.178 0.000 0.760 510 L CB -0.539 41.250 42.059 -0.450 0.000 0.910 510 L HN 0.351 nan 8.230 nan 0.000 0.437 511 N N -0.121 118.597 118.700 0.031 0.000 2.142 511 N HA -0.135 4.604 4.740 -0.001 0.000 0.186 511 N C 1.944 177.438 175.510 -0.026 0.000 1.023 511 N CA 0.980 54.073 53.050 0.072 0.000 0.852 511 N CB -0.121 38.481 38.487 0.191 0.000 0.998 511 N HN 0.280 nan 8.380 nan 0.000 0.424 512 A N 0.951 123.782 122.820 0.019 0.000 1.930 512 A HA 0.025 4.344 4.320 -0.001 0.000 0.217 512 A C 2.228 179.716 177.584 -0.160 0.000 1.175 512 A CA 1.661 53.713 52.037 0.024 0.000 0.627 512 A CB -0.575 18.545 19.000 0.200 0.000 0.815 512 A HN 0.360 nan 8.150 nan 0.000 0.443 513 A N -0.572 122.065 122.820 -0.306 0.000 1.903 513 A HA 0.209 4.529 4.320 -0.001 0.000 0.213 513 A C 2.043 179.323 177.584 -0.506 0.000 1.185 513 A CA 1.145 52.779 52.037 -0.671 0.000 0.628 513 A CB -0.379 18.128 19.000 -0.822 0.000 0.830 513 A HN 0.427 nan 8.150 nan 0.000 0.446 514 L N -1.542 119.381 121.223 -0.500 0.000 2.307 514 L HA 0.224 4.563 4.340 -0.001 0.000 0.211 514 L C 1.605 178.230 176.870 -0.410 0.000 1.099 514 L CA 0.647 55.113 54.840 -0.623 0.000 0.816 514 L CB -0.278 40.938 42.059 -1.405 0.000 0.952 514 L HN 0.560 nan 8.230 nan 0.000 0.455 515 G N -1.123 107.504 108.800 -0.289 0.000 2.165 515 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.226 515 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.226 515 G C -0.417 174.626 174.900 0.239 0.000 1.035 515 G CA -0.477 44.598 45.100 -0.041 0.000 0.744 515 G HN 0.101 nan 8.290 nan 0.000 0.501 516 W N -0.510 120.750 121.300 -0.066 0.000 2.578 516 W HA 0.740 5.400 4.660 -0.001 0.000 0.364 516 W C 0.504 177.021 176.519 -0.003 0.000 1.144 516 W CA -1.107 56.169 57.345 -0.115 0.000 1.242 516 W CB 0.739 29.944 29.460 -0.424 0.000 1.382 516 W HN 0.028 nan 8.180 nan 0.000 0.625 517 D N 0.631 121.218 120.400 0.311 0.000 2.623 517 D HA 0.065 4.704 4.640 -0.001 0.000 0.252 517 D C -0.345 176.155 176.300 0.332 0.000 1.294 517 D CA -0.128 54.027 54.000 0.259 0.000 0.824 517 D CB 0.176 41.081 40.800 0.175 0.000 1.070 517 D HN -0.140 nan 8.370 nan 0.000 0.487 518 F N 1.754 121.742 119.950 0.064 0.000 2.545 518 F HA 0.070 4.596 4.527 -0.001 0.000 0.348 518 F C 1.790 177.558 175.800 -0.054 0.000 1.163 518 F CA -0.243 57.662 58.000 -0.159 0.000 1.331 518 F CB 0.399 38.985 39.000 -0.689 0.000 1.138 518 F HN -0.136 nan 8.300 nan 0.000 0.602 519 T N -2.222 112.357 114.554 0.041 0.000 2.912 519 T HA 0.251 4.600 4.350 -0.001 0.000 0.280 519 T C 1.115 175.911 174.700 0.161 0.000 0.989 519 T CA -0.464 61.688 62.100 0.087 0.000 0.995 519 T CB 1.056 69.927 68.868 0.005 0.000 1.077 519 T HN 0.500 nan 8.240 nan 0.000 0.531 520 T N 0.858 115.530 114.554 0.195 0.000 2.759 520 T HA -0.092 4.258 4.350 -0.001 0.000 0.269 520 T C 1.705 176.508 174.700 0.171 0.000 1.042 520 T CA 1.716 63.962 62.100 0.244 0.000 1.140 520 T CB -0.421 68.540 68.868 0.155 0.000 0.864 520 T HN 0.705 nan 8.240 nan 0.000 0.455 521 E N 1.169 121.410 120.200 0.068 0.000 2.153 521 E HA -0.087 4.262 4.350 -0.001 0.000 0.194 521 E C 2.057 178.633 176.600 -0.041 0.000 0.988 521 E CA 0.863 57.270 56.400 0.010 0.000 0.811 521 E CB -0.285 29.400 29.700 -0.024 0.000 0.746 521 E HN 0.416 nan 8.360 nan 0.000 0.466 522 D N -0.613 119.709 120.400 -0.130 0.000 2.117 522 D HA -0.143 4.496 4.640 -0.001 0.000 0.198 522 D C 1.690 177.889 176.300 -0.169 0.000 0.982 522 D CA 0.989 54.784 54.000 -0.343 0.000 0.828 522 D CB -0.273 40.062 40.800 -0.774 0.000 0.967 522 D HN 0.237 nan 8.370 nan 0.000 0.464 523 Y N 0.983 121.358 120.300 0.126 0.000 2.163 523 Y HA -0.031 4.518 4.550 -0.001 0.000 0.288 523 Y C 2.495 178.458 175.900 0.106 0.000 1.136 523 Y CA 0.483 58.705 58.100 0.204 0.000 1.147 523 Y CB -0.723 37.880 38.460 0.239 0.000 0.987 523 Y HN -0.062 nan 8.280 nan 0.000 0.509 524 L N -0.077 121.277 121.223 0.219 0.000 2.191 524 L HA -0.244 4.095 4.340 -0.001 0.000 0.212 524 L C 2.371 179.285 176.870 0.073 0.000 1.103 524 L CA 1.525 56.434 54.840 0.115 0.000 0.769 524 L CB -0.392 41.708 42.059 0.068 0.000 0.908 524 L HN 0.165 nan 8.230 nan 0.000 0.438 525 K N 0.680 121.105 120.400 0.041 0.000 2.217 525 K HA -0.088 4.231 4.320 -0.001 0.000 0.202 525 K C 1.992 178.604 176.600 0.019 0.000 1.051 525 K CA 0.804 57.093 56.287 0.003 0.000 0.952 525 K CB 0.072 32.535 32.500 -0.061 0.000 0.736 525 K HN 0.211 nan 8.250 nan 0.000 0.453 526 I N 0.428 121.035 120.570 0.061 0.000 2.252 526 I HA -0.161 4.009 4.170 -0.001 0.000 0.245 526 I C 2.319 178.510 176.117 0.123 0.000 1.102 526 I CA 1.295 62.641 61.300 0.076 0.000 1.385 526 I CB -0.468 37.655 38.000 0.204 0.000 1.064 526 I HN 0.378 nan 8.210 nan 0.000 0.414 527 G N 0.147 109.035 108.800 0.147 0.000 2.418 527 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.217 527 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.217 527 G C 1.541 176.565 174.900 0.206 0.000 1.158 527 G CA 0.803 46.004 45.100 0.167 0.000 0.771 527 G HN 0.442 nan 8.290 nan 0.000 0.545 528 E N 0.198 120.489 120.200 0.151 0.000 2.077 528 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 528 E C 2.461 179.203 176.600 0.237 0.000 0.989 528 E CA 0.872 57.380 56.400 0.180 0.000 0.800 528 E CB -0.152 29.602 29.700 0.089 0.000 0.746 528 E HN 0.444 nan 8.360 nan 0.000 0.452 529 R N 0.520 121.103 120.500 0.138 0.000 2.083 529 R HA -0.161 4.178 4.340 -0.001 0.000 0.237 529 R C 2.381 178.822 176.300 0.235 0.000 1.137 529 R CA 1.816 57.972 56.100 0.093 0.000 0.951 529 R CB -0.344 29.864 30.300 -0.154 0.000 0.851 529 R HN 0.242 nan 8.270 nan 0.000 0.434 530 I N -0.283 120.458 120.570 0.284 0.000 2.226 530 I HA -0.315 3.855 4.170 -0.001 0.000 0.245 530 I C 2.408 178.705 176.117 0.300 0.000 1.100 530 I CA 1.233 62.757 61.300 0.373 0.000 1.374 530 I CB -0.529 37.667 38.000 0.326 0.000 1.057 530 I HN 0.445 nan 8.210 nan 0.000 0.413 531 W N 2.343 123.761 121.300 0.196 0.000 2.355 531 W HA -0.204 4.455 4.660 -0.001 0.000 0.309 531 W C 2.325 179.004 176.519 0.267 0.000 1.206 531 W CA 1.647 59.121 57.345 0.215 0.000 1.284 531 W CB -0.423 29.165 29.460 0.213 0.000 1.145 531 W HN 0.237 nan 8.180 nan 0.000 0.502 532 N N 0.411 119.383 118.700 0.454 0.000 2.188 532 N HA -0.145 4.594 4.740 -0.001 0.000 0.184 532 N C 1.864 177.471 175.510 0.160 0.000 1.018 532 N CA 1.551 54.818 53.050 0.363 0.000 0.858 532 N CB -0.430 38.290 38.487 0.388 0.000 0.989 532 N HN 0.070 nan 8.380 nan 0.000 0.426 533 A N 1.765 124.707 122.820 0.204 0.000 1.883 533 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 533 A C 2.054 179.653 177.584 0.026 0.000 1.186 533 A CA 1.438 53.574 52.037 0.164 0.000 0.624 533 A CB -0.554 18.634 19.000 0.314 0.000 0.822 533 A HN 0.319 nan 8.150 nan 0.000 0.444 534 E N -1.064 119.105 120.200 -0.051 0.000 2.077 534 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 534 E C 2.393 178.911 176.600 -0.138 0.000 0.989 534 E CA 0.866 57.172 56.400 -0.157 0.000 0.800 534 E CB -0.166 29.343 29.700 -0.319 0.000 0.746 534 E HN 0.290 nan 8.360 nan 0.000 0.452 535 R N 1.024 121.401 120.500 -0.204 0.000 2.083 535 R HA -0.149 4.190 4.340 -0.001 0.000 0.237 535 R C 2.364 178.547 176.300 -0.195 0.000 1.137 535 R CA 1.024 56.986 56.100 -0.230 0.000 0.951 535 R CB -0.854 29.270 30.300 -0.294 0.000 0.851 535 R HN 0.208 nan 8.270 nan 0.000 0.434 536 L N 0.384 121.522 121.223 -0.141 0.000 2.042 536 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 536 L C 2.226 179.049 176.870 -0.077 0.000 1.076 536 L CA 1.725 56.490 54.840 -0.124 0.000 0.749 536 L CB -0.887 41.143 42.059 -0.047 0.000 0.893 536 L HN 0.169 nan 8.230 nan 0.000 0.432 537 F N 0.512 120.368 119.950 -0.157 0.000 2.126 537 F HA -0.258 4.268 4.527 -0.001 0.000 0.299 537 F C 2.191 177.942 175.800 -0.081 0.000 1.096 537 F CA 2.260 60.180 58.000 -0.133 0.000 1.255 537 F CB -0.523 38.388 39.000 -0.147 0.000 0.997 537 F HN 0.289 nan 8.300 nan 0.000 0.479 538 N N 0.288 119.066 118.700 0.131 0.000 2.120 538 N HA -0.188 4.551 4.740 -0.001 0.000 0.188 538 N C 1.940 177.433 175.510 -0.029 0.000 1.024 538 N CA 1.401 54.507 53.050 0.094 0.000 0.852 538 N CB -0.258 38.148 38.487 -0.136 0.000 1.003 538 N HN 0.308 nan 8.380 nan 0.000 0.424 539 L N 1.244 122.388 121.223 -0.133 0.000 2.042 539 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 539 L C 2.154 178.935 176.870 -0.149 0.000 1.076 539 L CA 1.358 56.107 54.840 -0.153 0.000 0.749 539 L CB -0.293 41.636 42.059 -0.218 0.000 0.893 539 L HN 0.134 nan 8.230 nan 0.000 0.432 540 K N -0.087 120.189 120.400 -0.206 0.000 2.148 540 K HA -0.077 4.242 4.320 -0.001 0.000 0.204 540 K C 2.047 178.497 176.600 -0.250 0.000 1.050 540 K CA 1.171 57.315 56.287 -0.238 0.000 0.942 540 K CB -0.180 32.140 32.500 -0.300 0.000 0.724 540 K HN 0.275 nan 8.250 nan 0.000 0.446 541 A N 0.198 122.853 122.820 -0.276 0.000 2.167 541 A HA 0.135 4.454 4.320 -0.001 0.000 0.214 541 A C 1.375 178.920 177.584 -0.066 0.000 1.151 541 A CA 1.091 52.999 52.037 -0.215 0.000 0.735 541 A CB -0.130 18.764 19.000 -0.178 0.000 0.802 541 A HN 0.418 nan 8.150 nan 0.000 0.467 542 G N -1.850 106.951 108.800 0.002 0.000 2.164 542 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.154 542 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.154 542 G C -0.022 174.976 174.900 0.164 0.000 1.014 542 G CA -0.094 45.031 45.100 0.042 0.000 0.683 542 G HN 0.786 nan 8.290 nan 0.000 0.500 543 L N 1.748 123.108 121.223 0.228 0.000 2.540 543 L HA 0.543 4.882 4.340 -0.001 0.000 0.276 543 L C -0.203 176.675 176.870 0.014 0.000 1.212 543 L CA 0.142 55.044 54.840 0.103 0.000 0.893 543 L CB 0.893 42.821 42.059 -0.219 0.000 1.138 543 L HN 0.157 nan 8.230 nan 0.000 0.491 544 D N 6.584 127.004 120.400 0.034 0.000 2.464 544 D HA 0.327 4.966 4.640 -0.001 0.000 0.243 544 D C -2.014 174.296 176.300 0.016 0.000 1.104 544 D CA -2.086 51.924 54.000 0.017 0.000 0.883 544 D CB 1.749 42.574 40.800 0.040 0.000 1.050 544 D HN 0.291 nan 8.370 nan 0.000 0.524 545 P HA -0.231 nan 4.420 nan 0.000 0.216 545 P C 1.181 178.555 177.300 0.122 0.000 1.167 545 P CA 2.265 65.404 63.100 0.064 0.000 0.914 545 P CB 0.241 31.953 31.700 0.020 0.000 0.793 546 A N -0.639 122.246 122.820 0.109 0.000 1.927 546 A HA -0.287 4.032 4.320 -0.001 0.000 0.220 546 A C 2.394 180.030 177.584 0.086 0.000 1.185 546 A CA 2.285 54.388 52.037 0.109 0.000 0.639 546 A CB -1.159 17.891 19.000 0.085 0.000 0.820 546 A HN 0.119 nan 8.150 nan 0.000 0.451 547 R N -1.275 119.267 120.500 0.069 0.000 2.112 547 R HA -0.044 4.295 4.340 -0.001 0.000 0.216 547 R C 0.903 177.238 176.300 0.059 0.000 1.080 547 R CA 1.243 57.380 56.100 0.061 0.000 0.996 547 R CB -0.016 30.316 30.300 0.054 0.000 0.902 547 R HN 0.415 nan 8.270 nan 0.000 0.449 548 D N 0.333 120.766 120.400 0.055 0.000 2.301 548 D HA -0.019 4.621 4.640 -0.001 0.000 0.206 548 D C -0.317 176.002 176.300 0.030 0.000 0.979 548 D CA 0.611 54.634 54.000 0.038 0.000 0.874 548 D CB 0.180 40.985 40.800 0.009 0.000 0.968 548 D HN 0.132 nan 8.370 nan 0.000 0.510 549 D N 1.555 121.992 120.400 0.062 0.000 2.563 549 D HA 0.163 4.802 4.640 -0.001 0.000 0.222 549 D C 0.511 176.845 176.300 0.058 0.000 1.145 549 D CA 0.185 54.230 54.000 0.075 0.000 1.001 549 D CB 0.377 41.278 40.800 0.168 0.000 1.049 549 D HN 0.111 nan 8.370 nan 0.000 0.515 550 T N -2.037 112.544 114.554 0.046 0.000 2.626 550 T HA 0.656 5.005 4.350 -0.001 0.000 0.299 550 T C -0.823 173.911 174.700 0.058 0.000 1.181 550 T CA -0.848 61.282 62.100 0.050 0.000 1.053 550 T CB 1.501 70.407 68.868 0.063 0.000 1.566 550 T HN -0.042 nan 8.240 nan 0.000 0.486 551 L N 0.893 122.169 121.223 0.089 0.000 2.350 551 L HA 0.744 5.083 4.340 -0.001 0.000 0.260 551 L C -2.642 174.343 176.870 0.190 0.000 1.015 551 L CA -2.242 52.682 54.840 0.140 0.000 0.821 551 L CB 1.488 43.645 42.059 0.163 0.000 1.370 551 L HN 0.530 nan 8.230 nan 0.000 0.416 552 P HA 0.176 nan 4.420 nan 0.000 0.269 552 P C 0.124 177.477 177.300 0.089 0.000 1.215 552 P CA -0.131 63.057 63.100 0.146 0.000 0.780 552 P CB 0.581 32.335 31.700 0.090 0.000 0.898 553 K N 1.659 122.077 120.400 0.030 0.000 2.113 553 K HA -0.247 4.073 4.320 -0.001 0.000 0.208 553 K C 2.022 178.591 176.600 -0.053 0.000 1.047 553 K CA 1.522 57.817 56.287 0.013 0.000 0.928 553 K CB -0.193 32.315 32.500 0.013 0.000 0.716 553 K HN 0.361 nan 8.250 nan 0.000 0.446 554 R N 0.561 120.947 120.500 -0.190 0.000 2.119 554 R HA -0.212 4.127 4.340 -0.001 0.000 0.246 554 R C 1.757 177.866 176.300 -0.318 0.000 1.146 554 R CA 1.972 57.875 56.100 -0.329 0.000 0.962 554 R CB -0.271 29.689 30.300 -0.567 0.000 0.863 554 R HN 0.129 nan 8.270 nan 0.000 0.442 555 F N 0.163 120.136 119.950 0.038 0.000 2.367 555 F HA 0.052 4.578 4.527 -0.001 0.000 0.298 555 F C 1.878 177.714 175.800 0.060 0.000 1.094 555 F CA 0.598 58.632 58.000 0.057 0.000 1.409 555 F CB -0.083 38.944 39.000 0.045 0.000 1.064 555 F HN -0.014 nan 8.300 nan 0.000 0.528 556 L N -0.844 120.488 121.223 0.182 0.000 2.307 556 L HA 0.044 4.383 4.340 -0.001 0.000 0.211 556 L C 1.423 178.342 176.870 0.081 0.000 1.099 556 L CA 1.057 55.972 54.840 0.126 0.000 0.816 556 L CB -0.270 41.851 42.059 0.103 0.000 0.952 556 L HN 0.113 nan 8.230 nan 0.000 0.455 557 E N -0.742 119.490 120.200 0.053 0.000 2.508 557 E HA 0.122 4.471 4.350 -0.001 0.000 0.217 557 E C -0.121 176.493 176.600 0.024 0.000 0.896 557 E CA -0.061 56.359 56.400 0.034 0.000 1.118 557 E CB 0.858 30.572 29.700 0.023 0.000 1.133 557 E HN 0.358 nan 8.360 nan 0.000 0.526 558 E N 2.458 122.667 120.200 0.016 0.000 2.113 558 E HA 0.242 4.591 4.350 -0.001 0.000 0.273 558 E C -2.606 174.022 176.600 0.046 0.000 0.924 558 E CA -2.247 54.160 56.400 0.013 0.000 0.764 558 E CB 1.497 31.186 29.700 -0.019 0.000 1.104 558 E HN -0.092 nan 8.360 nan 0.000 0.406 559 P HA -0.022 nan 4.420 nan 0.000 0.271 559 P C -0.457 176.890 177.300 0.079 0.000 1.216 559 P CA -0.470 62.665 63.100 0.058 0.000 0.776 559 P CB 0.449 32.160 31.700 0.019 0.000 0.881 560 M N 7.137 126.811 119.600 0.123 0.000 2.408 560 M HA 0.043 4.522 4.480 -0.001 0.000 0.363 560 M C -1.875 174.478 176.300 0.089 0.000 1.636 560 M CA -1.267 54.115 55.300 0.137 0.000 1.029 560 M CB -0.317 32.395 32.600 0.185 0.000 2.068 560 M HN 0.227 nan 8.290 nan 0.000 0.466 561 P HA -0.136 nan 4.420 nan 0.000 0.218 561 P C -0.849 176.476 177.300 0.043 0.000 1.148 561 P CA 1.479 64.606 63.100 0.045 0.000 0.822 561 P CB 0.007 31.728 31.700 0.036 0.000 0.784 562 E N -3.761 116.474 120.200 0.058 0.000 2.415 562 E HA 0.489 4.838 4.350 -0.001 0.000 0.271 562 E C -0.352 176.290 176.600 0.071 0.000 1.094 562 E CA -0.752 55.679 56.400 0.052 0.000 0.881 562 E CB 0.437 30.159 29.700 0.036 0.000 1.581 562 E HN 0.097 nan 8.360 nan 0.000 0.460 563 G N 0.040 108.876 108.800 0.059 0.000 2.725 563 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.220 563 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.220 563 G C -2.077 172.870 174.900 0.078 0.000 1.357 563 G CA -0.253 44.887 45.100 0.068 0.000 0.866 563 G HN 0.500 nan 8.290 nan 0.000 0.548 564 P HA -0.018 nan 4.420 nan 0.000 0.219 564 P C 1.208 178.591 177.300 0.138 0.000 1.146 564 P CA 1.443 64.597 63.100 0.090 0.000 0.808 564 P CB 0.033 31.777 31.700 0.073 0.000 0.779 565 N N -0.967 117.833 118.700 0.167 0.000 2.251 565 N HA 0.019 4.758 4.740 -0.001 0.000 0.217 565 N C 0.341 176.031 175.510 0.300 0.000 1.124 565 N CA -0.085 53.125 53.050 0.267 0.000 0.843 565 N CB 0.117 38.743 38.487 0.231 0.000 1.024 565 N HN 0.222 nan 8.380 nan 0.000 0.501 566 K N 0.458 120.961 120.400 0.171 0.000 2.530 566 K HA -0.035 4.284 4.320 -0.001 0.000 0.280 566 K C 1.075 177.690 176.600 0.026 0.000 1.004 566 K CA 1.273 57.617 56.287 0.095 0.000 1.071 566 K CB 0.090 32.621 32.500 0.053 0.000 0.876 566 K HN 0.311 nan 8.250 nan 0.000 0.487 567 G N 2.605 111.405 108.800 -0.000 0.000 2.179 567 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.260 567 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.260 567 G C -0.276 174.528 174.900 -0.160 0.000 0.977 567 G CA 0.443 45.487 45.100 -0.094 0.000 0.641 567 G HN 0.826 nan 8.290 nan 0.000 0.533 568 H N 0.319 119.387 119.070 -0.002 0.000 2.551 568 H HA 0.668 5.223 4.556 -0.001 0.000 0.358 568 H C 0.406 175.772 175.328 0.063 0.000 1.151 568 H CA 1.089 57.132 56.048 -0.008 0.000 1.374 568 H CB 1.391 31.131 29.762 -0.036 0.000 1.473 568 H HN 0.150 nan 8.280 nan 0.000 0.574 569 T N 1.497 116.178 114.554 0.212 0.000 2.896 569 T HA 0.301 4.651 4.350 -0.001 0.000 0.297 569 T C -0.884 173.929 174.700 0.189 0.000 1.108 569 T CA -0.782 61.424 62.100 0.176 0.000 1.004 569 T CB 1.257 70.187 68.868 0.103 0.000 1.159 569 T HN 0.243 nan 8.240 nan 0.000 0.499 570 V N 3.419 123.439 119.914 0.177 0.000 2.408 570 V HA 0.309 4.428 4.120 -0.001 0.000 0.267 570 V C 0.616 176.768 176.094 0.096 0.000 1.047 570 V CA -0.415 61.966 62.300 0.135 0.000 0.937 570 V CB 0.576 32.470 31.823 0.118 0.000 0.999 570 V HN 0.663 nan 8.190 nan 0.000 0.472 571 R N 3.592 124.141 120.500 0.081 0.000 4.576 571 R HA 0.138 4.477 4.340 -0.001 0.000 0.185 571 R C 1.167 177.484 176.300 0.028 0.000 1.837 571 R CA -0.203 55.930 56.100 0.055 0.000 1.520 571 R CB -0.314 30.018 30.300 0.054 0.000 1.403 571 R HN 0.689 nan 8.270 nan 0.000 0.831 572 L N 1.643 122.882 121.223 0.027 0.000 1.994 572 L HA -0.257 4.082 4.340 -0.001 0.000 0.208 572 L C 1.944 178.808 176.870 -0.011 0.000 1.071 572 L CA 1.817 56.656 54.840 -0.002 0.000 0.745 572 L CB -0.219 41.847 42.059 0.012 0.000 0.892 572 L HN 0.302 nan 8.230 nan 0.000 0.431 573 K N 0.543 120.949 120.400 0.010 0.000 2.107 573 K HA -0.279 4.040 4.320 -0.001 0.000 0.211 573 K C 1.538 178.140 176.600 0.002 0.000 1.049 573 K CA 2.314 58.608 56.287 0.012 0.000 0.927 573 K CB -1.194 31.322 32.500 0.026 0.000 0.714 573 K HN 0.789 nan 8.250 nan 0.000 0.452 574 E N 0.030 120.232 120.200 0.003 0.000 2.385 574 E HA 0.036 4.385 4.350 -0.001 0.000 0.194 574 E C 1.985 178.577 176.600 -0.013 0.000 1.013 574 E CA 0.183 56.584 56.400 0.001 0.000 0.866 574 E CB -0.102 29.604 29.700 0.011 0.000 0.832 574 E HN 0.318 nan 8.360 nan 0.000 0.500 575 M N 0.109 119.691 119.600 -0.029 0.000 2.325 575 M HA 0.010 4.490 4.480 -0.001 0.000 0.265 575 M C 2.046 178.299 176.300 -0.078 0.000 1.094 575 M CA 0.295 55.569 55.300 -0.044 0.000 1.161 575 M CB -0.065 32.502 32.600 -0.054 0.000 1.358 575 M HN 0.115 nan 8.290 nan 0.000 0.446 576 L N 1.965 123.111 121.223 -0.127 0.000 1.978 576 L HA -0.157 4.182 4.340 -0.001 0.000 0.218 576 L C -0.586 176.059 176.870 -0.376 0.000 1.075 576 L CA 2.597 57.278 54.840 -0.266 0.000 0.767 576 L CB -1.746 40.176 42.059 -0.227 0.000 0.890 576 L HN 0.088 nan 8.230 nan 0.000 0.434 577 P HA -0.177 nan 4.420 nan 0.000 0.220 577 P C 1.524 178.823 177.300 -0.002 0.000 1.148 577 P CA 1.455 64.524 63.100 -0.052 0.000 0.803 577 P CB -0.130 31.599 31.700 0.049 0.000 0.782 578 R N -1.344 119.143 120.500 -0.021 0.000 2.090 578 R HA -0.129 4.210 4.340 -0.001 0.000 0.228 578 R C 2.596 178.886 176.300 -0.018 0.000 1.110 578 R CA 1.078 57.175 56.100 -0.005 0.000 0.973 578 R CB -0.906 29.390 30.300 -0.007 0.000 0.869 578 R HN 0.214 nan 8.270 nan 0.000 0.440 579 Y N 0.298 120.496 120.300 -0.169 0.000 2.181 579 Y HA -0.299 4.250 4.550 -0.001 0.000 0.288 579 Y C 1.701 177.526 175.900 -0.126 0.000 1.146 579 Y CA 1.479 59.466 58.100 -0.188 0.000 1.164 579 Y CB -0.245 38.073 38.460 -0.236 0.000 0.982 579 Y HN -0.020 nan 8.280 nan 0.000 0.515 580 Y N 0.496 120.803 120.300 0.012 0.000 2.145 580 Y HA -0.200 4.349 4.550 -0.001 0.000 0.286 580 Y C 2.416 178.232 175.900 -0.140 0.000 1.145 580 Y CA 1.503 59.596 58.100 -0.012 0.000 1.148 580 Y CB -1.077 37.523 38.460 0.234 0.000 0.981 580 Y HN 0.059 nan 8.280 nan 0.000 0.507 581 K N 0.285 120.741 120.400 0.093 0.000 2.032 581 K HA -0.114 4.206 4.320 -0.001 0.000 0.209 581 K C 2.168 178.706 176.600 -0.104 0.000 1.048 581 K CA 1.113 57.411 56.287 0.018 0.000 0.927 581 K CB -0.840 31.677 32.500 0.029 0.000 0.712 581 K HN 0.262 nan 8.250 nan 0.000 0.441 582 L N 0.138 121.247 121.223 -0.190 0.000 2.201 582 L HA -0.111 4.228 4.340 -0.001 0.000 0.212 582 L C 2.201 178.838 176.870 -0.389 0.000 1.105 582 L CA 0.801 55.491 54.840 -0.250 0.000 0.775 582 L CB -0.234 41.677 42.059 -0.246 0.000 0.913 582 L HN 0.087 nan 8.230 nan 0.000 0.440 583 R N 0.395 120.508 120.500 -0.644 0.000 2.235 583 R HA 0.015 4.354 4.340 -0.001 0.000 0.213 583 R C 1.274 177.193 176.300 -0.635 0.000 1.059 583 R CA 0.857 56.381 56.100 -0.960 0.000 0.997 583 R CB -0.280 28.806 30.300 -2.023 0.000 0.884 583 R HN 0.477 nan 8.270 nan 0.000 0.462 584 G N -0.153 108.467 108.800 -0.300 0.000 2.132 584 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.228 584 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.228 584 G C -0.372 174.671 174.900 0.238 0.000 1.000 584 G CA 0.054 45.143 45.100 -0.017 0.000 0.693 584 G HN 0.102 nan 8.290 nan 0.000 0.515 585 W N 0.533 121.846 121.300 0.022 0.000 2.481 585 W HA 0.748 5.407 4.660 -0.001 0.000 0.369 585 W C 1.167 177.695 176.519 0.015 0.000 1.235 585 W CA -0.471 56.880 57.345 0.010 0.000 1.344 585 W CB -0.094 29.352 29.460 -0.022 0.000 1.360 585 W HN 0.448 nan 8.180 nan 0.000 0.658 586 T N -1.142 113.545 114.554 0.221 0.000 2.828 586 T HA 0.052 4.401 4.350 -0.001 0.000 0.290 586 T C 1.168 175.946 174.700 0.131 0.000 1.019 586 T CA -0.267 61.908 62.100 0.125 0.000 1.031 586 T CB 1.048 69.949 68.868 0.055 0.000 1.001 586 T HN 0.470 nan 8.240 nan 0.000 0.531 587 E N 1.223 121.507 120.200 0.139 0.000 2.219 587 E HA -0.207 4.142 4.350 -0.001 0.000 0.198 587 E C 0.597 177.320 176.600 0.205 0.000 0.998 587 E CA 1.643 58.159 56.400 0.195 0.000 0.818 587 E CB -0.693 29.090 29.700 0.138 0.000 0.741 587 E HN 0.916 nan 8.360 nan 0.000 0.477 588 D N -0.514 119.924 120.400 0.063 0.000 2.388 588 D HA 0.287 4.926 4.640 -0.001 0.000 0.221 588 D C 1.025 177.197 176.300 -0.213 0.000 1.133 588 D CA 0.251 54.257 54.000 0.011 0.000 0.831 588 D CB 0.314 41.121 40.800 0.011 0.000 0.962 588 D HN 0.247 nan 8.370 nan 0.000 0.502 589 G N 0.399 108.836 108.800 -0.606 0.000 2.160 589 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.251 589 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.251 589 G C 0.103 174.697 174.900 -0.509 0.000 1.008 589 G CA 0.071 44.551 45.100 -1.033 0.000 0.724 589 G HN 0.331 nan 8.290 nan 0.000 0.514 590 K N -0.203 120.002 120.400 -0.326 0.000 2.139 590 K HA 0.705 5.024 4.320 -0.001 0.000 0.243 590 K C 0.402 176.790 176.600 -0.353 0.000 0.983 590 K CA -0.958 55.136 56.287 -0.323 0.000 0.890 590 K CB 1.536 33.924 32.500 -0.186 0.000 1.090 590 K HN 0.221 nan 8.250 nan 0.000 0.445 591 I N 3.646 123.978 120.570 -0.396 0.000 2.330 591 I HA 0.182 4.351 4.170 -0.001 0.000 0.289 591 I C -1.888 174.210 176.117 -0.033 0.000 1.001 591 I CA -2.111 59.008 61.300 -0.302 0.000 1.193 591 I CB 1.515 39.282 38.000 -0.388 0.000 1.345 591 I HN 0.268 nan 8.210 nan 0.000 0.461 592 P HA 0.076 nan 4.420 nan 0.000 0.272 592 P C 0.311 177.749 177.300 0.231 0.000 1.223 592 P CA -0.450 62.747 63.100 0.162 0.000 0.784 592 P CB 1.429 33.203 31.700 0.125 0.000 0.923 593 K N 1.370 121.924 120.400 0.258 0.000 2.113 593 K HA -0.196 4.123 4.320 -0.001 0.000 0.208 593 K C 1.788 178.424 176.600 0.059 0.000 1.047 593 K CA 1.629 57.966 56.287 0.084 0.000 0.928 593 K CB 0.032 32.338 32.500 -0.323 0.000 0.716 593 K HN 0.434 nan 8.250 nan 0.000 0.446 594 E N 0.818 121.049 120.200 0.053 0.000 2.110 594 E HA -0.243 4.106 4.350 -0.001 0.000 0.193 594 E C 1.857 178.502 176.600 0.075 0.000 0.988 594 E CA 1.203 57.630 56.400 0.046 0.000 0.804 594 E CB -0.240 29.484 29.700 0.039 0.000 0.745 594 E HN 0.168 nan 8.360 nan 0.000 0.458 595 K N 1.539 122.009 120.400 0.117 0.000 2.057 595 K HA 0.004 4.323 4.320 -0.001 0.000 0.206 595 K C 2.339 179.025 176.600 0.145 0.000 1.050 595 K CA 0.796 57.170 56.287 0.145 0.000 0.935 595 K CB -0.460 32.172 32.500 0.220 0.000 0.715 595 K HN 0.139 nan 8.250 nan 0.000 0.439 596 L N 0.595 121.915 121.223 0.163 0.000 2.042 596 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 596 L C 2.262 179.206 176.870 0.123 0.000 1.076 596 L CA 1.707 56.652 54.840 0.176 0.000 0.749 596 L CB -0.470 41.732 42.059 0.239 0.000 0.893 596 L HN 0.337 nan 8.230 nan 0.000 0.432 597 E N -0.263 119.987 120.200 0.084 0.000 2.077 597 E HA -0.262 4.087 4.350 -0.001 0.000 0.193 597 E C 2.079 178.697 176.600 0.030 0.000 0.989 597 E CA 1.034 57.458 56.400 0.040 0.000 0.800 597 E CB -0.080 29.628 29.700 0.013 0.000 0.746 597 E HN 0.443 nan 8.360 nan 0.000 0.452 598 E N 0.950 121.173 120.200 0.039 0.000 2.110 598 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 598 E C 1.947 178.554 176.600 0.012 0.000 0.988 598 E CA 0.824 57.237 56.400 0.022 0.000 0.804 598 E CB 0.056 29.776 29.700 0.034 0.000 0.745 598 E HN 0.260 nan 8.360 nan 0.000 0.458 599 L N -0.807 120.440 121.223 0.040 0.000 2.446 599 L HA 0.142 4.481 4.340 -0.001 0.000 0.219 599 L C 1.461 178.324 176.870 -0.011 0.000 1.116 599 L CA 0.509 55.362 54.840 0.021 0.000 0.844 599 L CB 0.183 42.288 42.059 0.076 0.000 0.970 599 L HN 0.384 nan 8.230 nan 0.000 0.457 600 G N 1.349 110.160 108.800 0.018 0.000 2.149 600 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.235 600 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.235 600 G C 0.577 175.526 174.900 0.082 0.000 1.018 600 G CA 0.378 45.485 45.100 0.012 0.000 0.728 600 G HN 0.532 nan 8.290 nan 0.000 0.508 601 I N -3.537 117.130 120.570 0.161 0.000 3.947 601 I HA 0.679 4.848 4.170 -0.001 0.000 0.327 601 I C 1.751 178.024 176.117 0.259 0.000 1.519 601 I CA 0.282 61.783 61.300 0.336 0.000 1.122 601 I CB 0.301 38.621 38.000 0.533 0.000 1.146 601 I HN 0.109 nan 8.210 nan 0.000 0.442 602 A N 2.356 125.256 122.820 0.134 0.000 2.125 602 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 602 A C 2.293 179.913 177.584 0.060 0.000 1.156 602 A CA 1.731 53.843 52.037 0.125 0.000 0.671 602 A CB -0.516 18.516 19.000 0.055 0.000 0.794 602 A HN 0.716 nan 8.150 nan 0.000 0.459 603 E N -0.700 119.430 120.200 -0.116 0.000 2.333 603 E HA -0.169 4.180 4.350 -0.001 0.000 0.198 603 E C 0.710 177.171 176.600 -0.231 0.000 1.007 603 E CA 0.899 57.155 56.400 -0.241 0.000 0.845 603 E CB -0.418 29.036 29.700 -0.410 0.000 0.766 603 E HN 0.610 nan 8.360 nan 0.000 0.507 604 F N 0.052 120.094 119.950 0.152 0.000 2.765 604 F HA 0.200 4.727 4.527 -0.001 0.000 0.302 604 F C 1.089 176.953 175.800 0.107 0.000 1.111 604 F CA -0.799 57.269 58.000 0.113 0.000 1.359 604 F CB -0.580 38.488 39.000 0.113 0.000 1.097 604 F HN -0.067 nan 8.300 nan 0.000 0.577 605 Y N 0.000 120.386 120.300 0.143 0.000 2.660 605 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 605 Y CA 0.000 58.147 58.100 0.079 0.000 1.940 605 Y CB 0.000 38.487 38.460 0.045 0.000 1.050 605 Y HN 0.000 nan 8.280 nan 0.000 0.758