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 3a0h_1_b DATA FIRST_RESID 5002 DATA SEQUENCE GLPWYRVHTV LINDPGRLIA AHLMHTALVA GWAGSMALYE LATFDPSDPV DATA SEQUENCE LNPMWRQGMF VLPFMARLGV TGSWSGWSIT GETGIDPGFW SFEGVALAHI DATA SEQUENCE VLSGLLFLAA CWHWVYWDLE LFRDPRTGEP ALDLPKMFGI HLFLAGLLCF DATA SEQUENCE GFGAFHLTGL FGPGMWVSDP YGLTGSVQPV APEWGPDGFN PYNPGGVVAH DATA SEQUENCE HIAAGIVGII AGLFHILVRP PQRLYKALRM GNIETVLSSS IAAVFFAAFV DATA SEQUENCE VAGTMWYGSA TTPIELFGPT RYQWDSSYFQ QEINRRVQAS LASGATLEEA DATA SEQUENCE WSAIPEKLAF YDYIGNNPAK GGLFRTGPMN KGDGIAQAWK GHAVFRNKEG DATA SEQUENCE EELFVRRMPA FFESFPVILT DKNGVVKADI PFRRAESKYS FEQQGVTVSF DATA SEQUENCE YGGELNGQTF TDPPTVKSYA RKAIFGEIFE FDTETLNSDG IFRTSPRGWF DATA SEQUENCE TFAHAVFALL FFFGHIWHGA RTLFRDVFSG IDPELSPE 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 5002 G HA2 0.000 nan 3.960 nan 0.000 0.244 5002 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 5002 G C 0.000 174.881 174.900 -0.032 0.000 0.946 5002 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 5003 L N 3.702 124.899 121.223 -0.044 0.000 2.262 5003 L HA 0.702 5.040 4.340 -0.003 0.000 0.288 5003 L C -1.645 175.142 176.870 -0.138 0.000 1.035 5003 L CA -2.134 52.647 54.840 -0.098 0.000 0.820 5003 L CB 0.738 42.748 42.059 -0.082 0.000 1.204 5003 L HN 0.219 nan 8.230 nan 0.000 0.424 5004 P HA 0.014 nan 4.420 nan 0.000 0.269 5004 P C 0.734 177.647 177.300 -0.645 0.000 1.209 5004 P CA -0.339 62.536 63.100 -0.375 0.000 0.776 5004 P CB 0.408 31.812 31.700 -0.492 0.000 0.876 5005 W N 3.025 124.238 121.300 -0.146 0.000 2.304 5005 W HA -0.291 4.366 4.660 -0.004 0.000 0.315 5005 W C 1.898 178.355 176.519 -0.103 0.000 1.233 5005 W CA 1.532 58.817 57.345 -0.100 0.000 1.261 5005 W CB -2.341 27.114 29.460 -0.009 0.000 1.150 5005 W HN 0.507 nan 8.180 nan 0.000 0.494 5006 Y N 0.979 120.653 120.300 -1.043 0.000 2.224 5006 Y HA 0.021 4.569 4.550 -0.003 0.000 0.289 5006 Y C 2.645 178.398 175.900 -0.245 0.000 1.146 5006 Y CA 1.630 59.404 58.100 -0.544 0.000 1.182 5006 Y CB -1.490 36.519 38.460 -0.752 0.000 0.983 5006 Y HN -0.188 nan 8.280 nan 0.000 0.524 5007 R N 1.276 121.243 120.500 -0.888 0.000 2.237 5007 R HA -0.072 4.265 4.340 -0.003 0.000 0.219 5007 R C 2.352 178.532 176.300 -0.200 0.000 1.080 5007 R CA 1.267 57.101 56.100 -0.442 0.000 0.995 5007 R CB -0.747 29.226 30.300 -0.544 0.000 0.875 5007 R HN 0.569 nan 8.270 nan 0.000 0.462 5008 V N -1.296 118.502 119.914 -0.194 0.000 2.626 5008 V HA -0.209 3.908 4.120 -0.003 0.000 0.252 5008 V C 1.560 177.697 176.094 0.072 0.000 1.067 5008 V CA 1.588 63.852 62.300 -0.060 0.000 1.081 5008 V CB -0.623 31.167 31.823 -0.054 0.000 0.686 5008 V HN 0.321 nan 8.190 nan 0.000 0.468 5009 H N 0.035 119.117 119.070 0.020 0.000 2.547 5009 H HA 0.006 4.560 4.556 -0.003 0.000 0.272 5009 H C 2.261 177.601 175.328 0.020 0.000 0.989 5009 H CA 0.916 56.988 56.048 0.040 0.000 1.214 5009 H CB 0.220 30.021 29.762 0.065 0.000 1.389 5009 H HN 0.483 nan 8.280 nan 0.000 0.577 5010 T N 0.159 114.788 114.554 0.124 0.000 2.867 5010 T HA -0.150 4.197 4.350 -0.003 0.000 0.268 5010 T C 2.176 176.895 174.700 0.033 0.000 1.057 5010 T CA 0.754 62.891 62.100 0.060 0.000 1.136 5010 T CB -0.262 68.631 68.868 0.041 0.000 0.874 5010 T HN 0.097 nan 8.240 nan 0.000 0.466 5011 V N 2.064 122.001 119.914 0.040 0.000 2.352 5011 V HA -0.402 3.716 4.120 -0.003 0.000 0.242 5011 V C 2.258 178.336 176.094 -0.026 0.000 1.032 5011 V CA 2.535 64.843 62.300 0.013 0.000 1.108 5011 V CB -1.557 30.296 31.823 0.050 0.000 0.838 5011 V HN 0.409 nan 8.190 nan 0.000 0.488 5012 L N -0.144 121.061 121.223 -0.030 0.000 1.915 5012 L HA -0.047 4.291 4.340 -0.003 0.000 0.225 5012 L C 2.142 178.979 176.870 -0.055 0.000 1.084 5012 L CA 2.221 57.020 54.840 -0.070 0.000 0.788 5012 L CB -1.497 40.521 42.059 -0.068 0.000 0.892 5012 L HN 0.579 nan 8.230 nan 0.000 0.434 5013 I N -0.935 119.608 120.570 -0.044 0.000 4.631 5013 I HA -0.486 3.682 4.170 -0.003 0.000 0.055 5013 I C 0.819 176.910 176.117 -0.044 0.000 0.621 5013 I CA 2.415 63.689 61.300 -0.044 0.000 0.762 5013 I CB -1.290 36.686 38.000 -0.040 0.000 0.704 5013 I HN 0.945 nan 8.210 nan 0.000 0.164 5014 N N 2.131 120.809 118.700 -0.038 0.000 2.418 5014 N HA 0.253 4.991 4.740 -0.003 0.000 0.283 5014 N C 0.293 175.778 175.510 -0.041 0.000 1.267 5014 N CA 0.479 53.514 53.050 -0.026 0.000 0.975 5014 N CB 0.479 38.964 38.487 -0.002 0.000 1.167 5014 N HN 0.739 nan 8.380 nan 0.000 0.581 5015 D N -2.464 117.933 120.400 -0.005 0.000 2.739 5015 D HA -0.067 4.571 4.640 -0.003 0.000 0.240 5015 D C -1.866 174.380 176.300 -0.091 0.000 1.114 5015 D CA 0.047 54.060 54.000 0.021 0.000 0.695 5015 D CB -1.325 39.431 40.800 -0.074 0.000 1.078 5015 D HN 0.442 nan 8.370 nan 0.000 0.434 5016 P HA -0.100 nan 4.420 nan 0.000 0.219 5016 P C 1.662 178.647 177.300 -0.524 0.000 1.144 5016 P CA 1.871 64.736 63.100 -0.391 0.000 0.806 5016 P CB -0.099 31.274 31.700 -0.544 0.000 0.771 5017 G N 0.613 109.161 108.800 -0.421 0.000 2.587 5017 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.217 5017 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.217 5017 G C 1.516 176.488 174.900 0.120 0.000 1.240 5017 G CA 0.690 45.829 45.100 0.065 0.000 0.794 5017 G HN 0.251 nan 8.290 nan 0.000 0.580 5018 R N -0.263 120.232 120.500 -0.008 0.000 2.159 5018 R HA -0.010 4.328 4.340 -0.003 0.000 0.237 5018 R C 2.481 178.835 176.300 0.091 0.000 1.131 5018 R CA 0.983 57.009 56.100 -0.122 0.000 0.982 5018 R CB -0.549 29.324 30.300 -0.712 0.000 0.868 5018 R HN 0.375 nan 8.270 nan 0.000 0.453 5019 L N 1.249 122.462 121.223 -0.016 0.000 2.027 5019 L HA -0.136 4.202 4.340 -0.003 0.000 0.206 5019 L C 2.096 178.969 176.870 0.005 0.000 1.074 5019 L CA 1.571 56.383 54.840 -0.047 0.000 0.745 5019 L CB -0.333 41.692 42.059 -0.056 0.000 0.898 5019 L HN 0.044 nan 8.230 nan 0.000 0.433 5020 I N 0.357 120.951 120.570 0.040 0.000 2.151 5020 I HA -0.337 3.830 4.170 -0.003 0.000 0.243 5020 I C 2.624 178.827 176.117 0.144 0.000 1.080 5020 I CA 1.687 63.028 61.300 0.069 0.000 1.339 5020 I CB -1.858 36.052 38.000 -0.151 0.000 1.039 5020 I HN 0.390 nan 8.210 nan 0.000 0.409 5021 A N 0.463 123.428 122.820 0.242 0.000 2.070 5021 A HA -0.034 4.284 4.320 -0.003 0.000 0.220 5021 A C 2.506 180.224 177.584 0.223 0.000 1.159 5021 A CA 1.692 53.939 52.037 0.350 0.000 0.656 5021 A CB -0.511 18.805 19.000 0.525 0.000 0.800 5021 A HN 0.460 nan 8.150 nan 0.000 0.453 5022 A N -0.252 122.637 122.820 0.114 0.000 1.826 5022 A HA -0.057 4.261 4.320 -0.003 0.000 0.214 5022 A C 1.841 179.410 177.584 -0.025 0.000 1.212 5022 A CA 1.502 53.523 52.037 -0.027 0.000 0.605 5022 A CB -1.094 17.769 19.000 -0.227 0.000 0.861 5022 A HN 0.630 nan 8.150 nan 0.000 0.447 5023 H N -0.935 118.184 119.070 0.081 0.000 2.426 5023 H HA -0.132 4.422 4.556 -0.004 0.000 0.298 5023 H C 1.730 177.128 175.328 0.117 0.000 1.107 5023 H CA 1.319 57.412 56.048 0.074 0.000 1.298 5023 H CB -0.175 29.599 29.762 0.019 0.000 1.377 5023 H HN 0.360 nan 8.280 nan 0.000 0.519 5024 L N -0.221 121.137 121.223 0.224 0.000 2.551 5024 L HA -0.149 4.189 4.340 -0.003 0.000 0.230 5024 L C 1.526 178.515 176.870 0.199 0.000 1.163 5024 L CA 1.339 56.306 54.840 0.211 0.000 0.826 5024 L CB -0.211 42.001 42.059 0.255 0.000 0.943 5024 L HN 0.342 nan 8.230 nan 0.000 0.452 5025 M N -2.424 117.289 119.600 0.189 0.000 2.999 5025 M HA 0.014 4.492 4.480 -0.003 0.000 0.246 5025 M C 2.032 178.435 176.300 0.173 0.000 1.478 5025 M CA 0.693 56.103 55.300 0.182 0.000 1.243 5025 M CB -0.922 31.771 32.600 0.155 0.000 1.213 5025 M HN 0.323 nan 8.290 nan 0.000 0.564 5026 H N -0.047 119.074 119.070 0.084 0.000 2.518 5026 H HA -0.086 4.468 4.556 -0.004 0.000 0.294 5026 H C 1.084 176.466 175.328 0.091 0.000 1.083 5026 H CA 1.725 57.817 56.048 0.074 0.000 1.264 5026 H CB 0.298 30.097 29.762 0.061 0.000 1.370 5026 H HN 0.233 nan 8.280 nan 0.000 0.560 5027 T N -0.473 114.218 114.554 0.229 0.000 3.009 5027 T HA 0.185 4.532 4.350 -0.003 0.000 0.258 5027 T C 1.934 176.711 174.700 0.128 0.000 1.063 5027 T CA 0.707 62.915 62.100 0.180 0.000 1.139 5027 T CB -0.157 68.815 68.868 0.174 0.000 0.890 5027 T HN 0.498 nan 8.240 nan 0.000 0.471 5028 A N 0.192 123.099 122.820 0.144 0.000 2.218 5028 A HA 0.292 4.610 4.320 -0.003 0.000 0.209 5028 A C 1.883 179.543 177.584 0.127 0.000 1.168 5028 A CA 0.473 52.602 52.037 0.153 0.000 0.804 5028 A CB -0.258 18.873 19.000 0.217 0.000 0.834 5028 A HN 0.379 nan 8.150 nan 0.000 0.482 5029 L N -1.347 119.925 121.223 0.081 0.000 2.298 5029 L HA 0.143 4.481 4.340 -0.003 0.000 0.209 5029 L C 2.199 179.095 176.870 0.043 0.000 1.084 5029 L CA 1.146 56.011 54.840 0.041 0.000 0.816 5029 L CB -0.016 42.032 42.059 -0.019 0.000 0.967 5029 L HN 0.128 nan 8.230 nan 0.000 0.460 5030 V N -0.405 119.508 119.914 -0.000 0.000 2.249 5030 V HA -0.163 3.955 4.120 -0.003 0.000 0.239 5030 V C 2.654 178.875 176.094 0.212 0.000 1.038 5030 V CA 1.430 63.761 62.300 0.053 0.000 1.005 5030 V CB -0.958 30.860 31.823 -0.008 0.000 0.646 5030 V HN 0.465 nan 8.190 nan 0.000 0.455 5031 A N 0.498 123.429 122.820 0.185 0.000 1.944 5031 A HA -0.331 3.987 4.320 -0.003 0.000 0.222 5031 A C 2.335 180.082 177.584 0.273 0.000 1.237 5031 A CA 2.814 54.994 52.037 0.239 0.000 0.668 5031 A CB -1.602 17.483 19.000 0.142 0.000 0.830 5031 A HN 0.633 nan 8.150 nan 0.000 0.471 5032 G N -2.104 106.817 108.800 0.201 0.000 2.545 5032 G HA2 -0.325 3.633 3.960 -0.003 0.000 0.217 5032 G HA3 -0.325 3.633 3.960 -0.003 0.000 0.217 5032 G C 1.345 176.348 174.900 0.171 0.000 1.218 5032 G CA 1.241 46.438 45.100 0.161 0.000 0.787 5032 G HN 0.809 nan 8.290 nan 0.000 0.571 5033 W N 2.130 123.457 121.300 0.044 0.000 2.296 5033 W HA -0.166 4.492 4.660 -0.003 0.000 0.296 5033 W C 2.664 179.217 176.519 0.056 0.000 1.220 5033 W CA 2.661 60.031 57.345 0.040 0.000 1.223 5033 W CB -0.107 29.366 29.460 0.022 0.000 1.139 5033 W HN 0.337 nan 8.180 nan 0.000 0.534 5034 A N 0.816 123.834 122.820 0.330 0.000 1.824 5034 A HA -0.081 4.237 4.320 -0.003 0.000 0.215 5034 A C 2.308 179.775 177.584 -0.196 0.000 1.209 5034 A CA 2.314 54.416 52.037 0.108 0.000 0.614 5034 A CB -1.843 17.298 19.000 0.236 0.000 0.852 5034 A HN 0.468 nan 8.150 nan 0.000 0.447 5035 G N -0.698 108.068 108.800 -0.058 0.000 2.545 5035 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.222 5035 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.222 5035 G C 1.742 176.564 174.900 -0.130 0.000 1.126 5035 G CA 1.630 46.696 45.100 -0.057 0.000 0.754 5035 G HN 0.491 nan 8.290 nan 0.000 0.583 5036 S N -0.040 115.545 115.700 -0.191 0.000 2.500 5036 S HA -0.167 4.301 4.470 -0.003 0.000 0.210 5036 S C 2.177 176.586 174.600 -0.318 0.000 1.101 5036 S CA 1.400 59.453 58.200 -0.245 0.000 1.272 5036 S CB -0.550 62.472 63.200 -0.296 0.000 1.071 5036 S HN 0.419 nan 8.310 nan 0.000 0.397 5037 M N 1.266 120.488 119.600 -0.630 0.000 2.192 5037 M HA -0.228 4.250 4.480 -0.003 0.000 0.259 5037 M C 1.989 178.124 176.300 -0.276 0.000 1.071 5037 M CA 1.712 56.722 55.300 -0.484 0.000 1.082 5037 M CB -0.498 31.620 32.600 -0.804 0.000 1.373 5037 M HN 0.419 nan 8.290 nan 0.000 0.408 5038 A N 0.986 123.610 122.820 -0.327 0.000 1.869 5038 A HA -0.235 4.083 4.320 -0.003 0.000 0.218 5038 A C 1.998 179.537 177.584 -0.074 0.000 1.203 5038 A CA 2.106 54.047 52.037 -0.160 0.000 0.638 5038 A CB -1.174 17.739 19.000 -0.145 0.000 0.831 5038 A HN 0.623 nan 8.150 nan 0.000 0.450 5039 L N -2.246 118.934 121.223 -0.071 0.000 1.990 5039 L HA -0.251 4.087 4.340 -0.003 0.000 0.213 5039 L C 2.597 179.473 176.870 0.010 0.000 1.072 5039 L CA 2.139 56.954 54.840 -0.040 0.000 0.755 5039 L CB -0.836 41.188 42.059 -0.058 0.000 0.889 5039 L HN 0.597 nan 8.230 nan 0.000 0.432 5040 Y N 1.318 121.538 120.300 -0.134 0.000 1.993 5040 Y HA -0.364 4.184 4.550 -0.004 0.000 0.267 5040 Y C 2.598 178.450 175.900 -0.080 0.000 1.155 5040 Y CA 1.978 60.013 58.100 -0.108 0.000 1.105 5040 Y CB -0.668 37.715 38.460 -0.127 0.000 0.960 5040 Y HN 0.187 nan 8.280 nan 0.000 0.486 5041 E N -0.631 119.779 120.200 0.350 0.000 2.147 5041 E HA -0.271 4.077 4.350 -0.003 0.000 0.199 5041 E C 2.089 178.768 176.600 0.131 0.000 1.005 5041 E CA 1.456 57.979 56.400 0.204 0.000 0.810 5041 E CB -0.447 29.263 29.700 0.017 0.000 0.736 5041 E HN 0.355 nan 8.360 nan 0.000 0.460 5042 L N 0.293 121.546 121.223 0.049 0.000 2.201 5042 L HA -0.081 4.257 4.340 -0.003 0.000 0.212 5042 L C 2.033 178.927 176.870 0.039 0.000 1.105 5042 L CA 1.448 56.298 54.840 0.017 0.000 0.775 5042 L CB -0.465 41.581 42.059 -0.023 0.000 0.913 5042 L HN 0.008 nan 8.230 nan 0.000 0.440 5043 A N -2.913 119.908 122.820 0.002 0.000 2.235 5043 A HA 0.047 4.365 4.320 -0.003 0.000 0.208 5043 A C 1.794 179.336 177.584 -0.071 0.000 1.172 5043 A CA 1.483 53.475 52.037 -0.074 0.000 0.786 5043 A CB -0.394 18.496 19.000 -0.183 0.000 0.804 5043 A HN 0.427 nan 8.150 nan 0.000 0.479 5044 T N -2.217 112.345 114.554 0.014 0.000 3.029 5044 T HA 0.195 4.543 4.350 -0.003 0.000 0.256 5044 T C 0.079 174.780 174.700 0.001 0.000 0.914 5044 T CA -0.538 61.565 62.100 0.004 0.000 0.880 5044 T CB -0.139 68.774 68.868 0.075 0.000 1.246 5044 T HN 0.321 nan 8.240 nan 0.000 0.523 5045 F N 4.027 123.931 119.950 -0.077 0.000 2.607 5045 F HA 0.353 4.877 4.527 -0.004 0.000 0.374 5045 F C 0.163 175.842 175.800 -0.203 0.000 1.104 5045 F CA -0.725 57.206 58.000 -0.115 0.000 1.296 5045 F CB 0.377 39.319 39.000 -0.097 0.000 1.085 5045 F HN -0.056 nan 8.300 nan 0.000 0.584 5046 D N 7.578 127.219 120.400 -1.265 0.000 2.278 5046 D HA 0.350 4.988 4.640 -0.003 0.000 0.245 5046 D C -2.186 173.173 176.300 -1.567 0.000 1.052 5046 D CA -2.402 50.969 54.000 -1.048 0.000 0.834 5046 D CB 2.317 42.753 40.800 -0.607 0.000 1.194 5046 D HN 0.278 nan 8.370 nan 0.000 0.481 5047 P HA -0.022 nan 4.420 nan 0.000 0.236 5047 P C 1.236 178.357 177.300 -0.299 0.000 1.174 5047 P CA 0.353 63.099 63.100 -0.591 0.000 0.840 5047 P CB 0.209 31.490 31.700 -0.697 0.000 0.947 5048 S N 1.408 116.908 115.700 -0.333 0.000 2.511 5048 S HA -0.256 4.212 4.470 -0.003 0.000 0.282 5048 S C 0.500 175.043 174.600 -0.096 0.000 1.179 5048 S CA 2.268 60.354 58.200 -0.189 0.000 1.125 5048 S CB -1.927 61.155 63.200 -0.196 0.000 1.035 5048 S HN 0.483 nan 8.310 nan 0.000 0.452 5049 D N -0.810 119.533 120.400 -0.096 0.000 2.478 5049 D HA 0.507 5.145 4.640 -0.003 0.000 0.240 5049 D C -3.068 173.247 176.300 0.025 0.000 1.364 5049 D CA -1.968 52.025 54.000 -0.012 0.000 0.987 5049 D CB 1.668 42.468 40.800 0.000 0.000 1.328 5049 D HN -0.030 nan 8.370 nan 0.000 0.584 5050 P HA 0.022 nan 4.420 nan 0.000 0.245 5050 P C 0.852 178.232 177.300 0.133 0.000 1.212 5050 P CA 0.146 63.336 63.100 0.149 0.000 0.774 5050 P CB 0.507 32.330 31.700 0.204 0.000 0.999 5051 V N -1.104 118.879 119.914 0.115 0.000 2.326 5051 V HA -0.031 4.086 4.120 -0.003 0.000 0.238 5051 V C 1.821 178.028 176.094 0.189 0.000 1.038 5051 V CA 1.375 63.768 62.300 0.154 0.000 1.032 5051 V CB -0.854 31.059 31.823 0.150 0.000 0.675 5051 V HN 0.012 nan 8.190 nan 0.000 0.467 5052 L N -0.438 120.901 121.223 0.194 0.000 2.766 5052 L HA 0.406 4.743 4.340 -0.003 0.000 0.242 5052 L C 0.419 177.355 176.870 0.111 0.000 1.136 5052 L CA 0.275 55.329 54.840 0.358 0.000 0.933 5052 L CB 0.082 42.401 42.059 0.433 0.000 1.241 5052 L HN 0.314 nan 8.230 nan 0.000 0.522 5053 N N 0.412 119.079 118.700 -0.054 0.000 2.672 5053 N HA 0.255 4.993 4.740 -0.003 0.000 0.295 5053 N C -2.748 172.644 175.510 -0.196 0.000 1.924 5053 N CA -1.209 51.742 53.050 -0.166 0.000 0.851 5053 N CB 1.158 39.561 38.487 -0.140 0.000 1.281 5053 N HN -0.063 nan 8.380 nan 0.000 0.494 5054 P HA 0.138 nan 4.420 nan 0.000 0.276 5054 P C 1.432 178.599 177.300 -0.221 0.000 1.244 5054 P CA -0.414 62.589 63.100 -0.163 0.000 0.801 5054 P CB 0.690 32.279 31.700 -0.185 0.000 1.006 5055 M N 1.440 121.128 119.600 0.147 0.000 2.706 5055 M HA -0.270 4.208 4.480 -0.003 0.000 0.266 5055 M C 1.799 178.060 176.300 -0.064 0.000 1.060 5055 M CA 2.356 57.745 55.300 0.149 0.000 1.070 5055 M CB -1.960 30.582 32.600 -0.098 0.000 1.241 5055 M HN 0.395 nan 8.290 nan 0.000 0.488 5056 W N 1.064 122.327 121.300 -0.063 0.000 2.264 5056 W HA -0.258 4.400 4.660 -0.004 0.000 0.293 5056 W C 1.773 178.277 176.519 -0.024 0.000 1.225 5056 W CA 1.871 59.167 57.345 -0.081 0.000 1.220 5056 W CB -1.448 27.937 29.460 -0.126 0.000 1.134 5056 W HN 0.415 nan 8.180 nan 0.000 0.544 5057 R N 0.611 120.803 120.500 -0.513 0.000 2.062 5057 R HA -0.057 4.281 4.340 -0.003 0.000 0.226 5057 R C 2.350 178.591 176.300 -0.098 0.000 1.125 5057 R CA 1.317 57.224 56.100 -0.323 0.000 0.966 5057 R CB -0.730 29.260 30.300 -0.518 0.000 0.861 5057 R HN 0.262 nan 8.270 nan 0.000 0.433 5058 Q N 0.147 119.885 119.800 -0.102 0.000 2.615 5058 Q HA -0.046 4.292 4.340 -0.003 0.000 0.220 5058 Q C 0.326 176.350 176.000 0.040 0.000 0.981 5058 Q CA 0.708 56.499 55.803 -0.019 0.000 0.939 5058 Q CB 0.067 28.809 28.738 0.006 0.000 0.982 5058 Q HN 0.577 nan 8.270 nan 0.000 0.550 5059 G N 1.125 109.965 108.800 0.066 0.000 2.272 5059 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.280 5059 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.280 5059 G C -0.092 174.861 174.900 0.089 0.000 1.067 5059 G CA -0.157 45.004 45.100 0.101 0.000 0.902 5059 G HN 0.120 nan 8.290 nan 0.000 0.500 5060 M N -0.643 119.008 119.600 0.084 0.000 2.188 5060 M HA 0.547 5.025 4.480 -0.003 0.000 0.357 5060 M C 0.886 177.225 176.300 0.065 0.000 1.204 5060 M CA -0.872 54.454 55.300 0.044 0.000 1.095 5060 M CB 0.982 33.568 32.600 -0.023 0.000 1.604 5060 M HN 0.276 nan 8.290 nan 0.000 0.464 5061 F N 3.063 122.973 119.950 -0.066 0.000 2.619 5061 F HA 0.192 4.717 4.527 -0.003 0.000 0.281 5061 F C 1.158 176.969 175.800 0.019 0.000 1.065 5061 F CA 0.644 58.632 58.000 -0.021 0.000 1.304 5061 F CB 0.397 39.461 39.000 0.106 0.000 1.059 5061 F HN 0.312 nan 8.300 nan 0.000 0.648 5062 V N 0.747 120.574 119.914 -0.144 0.000 2.949 5062 V HA -0.011 4.107 4.120 -0.003 0.000 0.245 5062 V C 2.053 178.132 176.094 -0.026 0.000 1.086 5062 V CA 1.164 63.426 62.300 -0.065 0.000 1.097 5062 V CB 0.334 32.215 31.823 0.098 0.000 0.762 5062 V HN 0.408 nan 8.190 nan 0.000 0.470 5063 L N 0.892 122.040 121.223 -0.126 0.000 2.291 5063 L HA 0.014 4.352 4.340 -0.003 0.000 0.214 5063 L C -0.401 176.362 176.870 -0.178 0.000 1.120 5063 L CA 1.475 56.239 54.840 -0.127 0.000 0.799 5063 L CB -0.923 40.961 42.059 -0.292 0.000 0.925 5063 L HN 0.277 nan 8.230 nan 0.000 0.446 5064 P HA -0.180 nan 4.420 nan 0.000 0.217 5064 P C 1.072 178.175 177.300 -0.327 0.000 1.148 5064 P CA 1.646 64.444 63.100 -0.504 0.000 0.828 5064 P CB -0.069 31.047 31.700 -0.973 0.000 0.783 5065 F N -1.932 118.021 119.950 0.005 0.000 2.113 5065 F HA -0.076 4.449 4.527 -0.004 0.000 0.297 5065 F C 2.317 178.163 175.800 0.076 0.000 1.103 5065 F CA 1.044 59.088 58.000 0.075 0.000 1.248 5065 F CB -1.619 37.418 39.000 0.061 0.000 0.999 5065 F HN -0.217 nan 8.300 nan 0.000 0.475 5066 M N 0.298 120.057 119.600 0.265 0.000 2.331 5066 M HA -0.242 4.235 4.480 -0.003 0.000 0.260 5066 M C 2.098 178.470 176.300 0.120 0.000 1.072 5066 M CA 1.555 56.977 55.300 0.205 0.000 1.065 5066 M CB -0.606 32.195 32.600 0.334 0.000 1.392 5066 M HN 0.222 nan 8.290 nan 0.000 0.427 5067 A N -0.583 122.302 122.820 0.108 0.000 1.878 5067 A HA -0.040 4.278 4.320 -0.003 0.000 0.213 5067 A C 2.132 179.849 177.584 0.220 0.000 1.192 5067 A CA 0.799 52.885 52.037 0.082 0.000 0.619 5067 A CB -0.313 18.576 19.000 -0.186 0.000 0.837 5067 A HN 0.327 nan 8.150 nan 0.000 0.446 5068 R N -0.569 120.057 120.500 0.210 0.000 2.143 5068 R HA -0.192 4.146 4.340 -0.003 0.000 0.239 5068 R C 1.886 178.343 176.300 0.262 0.000 1.126 5068 R CA 1.665 57.936 56.100 0.285 0.000 0.927 5068 R CB -1.104 29.353 30.300 0.262 0.000 0.860 5068 R HN 0.399 nan 8.270 nan 0.000 0.433 5069 L N -1.155 120.196 121.223 0.213 0.000 2.127 5069 L HA -0.102 4.236 4.340 -0.003 0.000 0.211 5069 L C 1.815 178.822 176.870 0.227 0.000 1.089 5069 L CA 2.346 57.295 54.840 0.182 0.000 0.757 5069 L CB -0.842 41.295 42.059 0.131 0.000 0.899 5069 L HN 0.686 nan 8.230 nan 0.000 0.434 5070 G N -2.662 106.253 108.800 0.192 0.000 2.738 5070 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.195 5070 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.195 5070 G C 0.117 175.048 174.900 0.053 0.000 1.001 5070 G CA -0.091 45.103 45.100 0.156 0.000 0.759 5070 G HN 0.036 nan 8.290 nan 0.000 0.494 5071 V N 3.605 123.501 119.914 -0.030 0.000 2.390 5071 V HA 0.352 4.470 4.120 -0.003 0.000 0.260 5071 V C 1.790 177.651 176.094 -0.387 0.000 1.043 5071 V CA 1.256 63.408 62.300 -0.248 0.000 1.047 5071 V CB -0.034 31.564 31.823 -0.375 0.000 1.066 5071 V HN 0.598 nan 8.190 nan 0.000 0.481 5072 T N 1.248 115.652 114.554 -0.250 0.000 3.044 5072 T HA 0.286 4.633 4.350 -0.003 0.000 0.255 5072 T C 0.880 175.440 174.700 -0.234 0.000 1.073 5072 T CA 0.576 62.603 62.100 -0.121 0.000 1.125 5072 T CB 0.391 69.297 68.868 0.063 0.000 0.908 5072 T HN 0.803 nan 8.240 nan 0.000 0.480 5073 G N 0.392 108.938 108.800 -0.423 0.000 2.714 5073 G HA2 0.558 4.515 3.960 -0.003 0.000 0.292 5073 G HA3 0.558 4.515 3.960 -0.003 0.000 0.292 5073 G C -1.425 173.225 174.900 -0.416 0.000 1.308 5073 G CA -0.646 44.209 45.100 -0.407 0.000 0.964 5073 G HN 0.290 nan 8.290 nan 0.000 0.484 5074 S N -1.342 114.042 115.700 -0.526 0.000 2.537 5074 S HA 0.391 4.859 4.470 -0.003 0.000 0.301 5074 S C 0.215 174.821 174.600 0.011 0.000 1.092 5074 S CA -0.636 57.466 58.200 -0.163 0.000 1.048 5074 S CB 0.657 63.664 63.200 -0.321 0.000 1.053 5074 S HN 0.481 nan 8.310 nan 0.000 0.501 5075 W N 2.528 123.763 121.300 -0.107 0.000 2.596 5075 W HA 0.071 4.729 4.660 -0.003 0.000 0.255 5075 W C 1.438 177.965 176.519 0.014 0.000 1.232 5075 W CA 0.011 57.317 57.345 -0.064 0.000 1.230 5075 W CB -1.308 28.108 29.460 -0.075 0.000 1.141 5075 W HN 0.514 nan 8.180 nan 0.000 0.628 5076 S N -0.083 115.789 115.700 0.286 0.000 2.602 5076 S HA 0.377 4.844 4.470 -0.003 0.000 0.246 5076 S C 1.606 176.455 174.600 0.416 0.000 1.009 5076 S CA 0.358 58.782 58.200 0.374 0.000 1.052 5076 S CB -0.374 63.156 63.200 0.549 0.000 0.778 5076 S HN 0.454 nan 8.310 nan 0.000 0.455 5077 G N 1.983 110.921 108.800 0.230 0.000 2.175 5077 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.265 5077 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.265 5077 G C 0.011 175.082 174.900 0.286 0.000 0.979 5077 G CA 0.711 45.935 45.100 0.207 0.000 0.663 5077 G HN 0.642 nan 8.290 nan 0.000 0.533 5078 W N -0.511 120.872 121.300 0.139 0.000 2.820 5078 W HA 0.863 5.520 4.660 -0.004 0.000 0.350 5078 W C 0.011 176.650 176.519 0.200 0.000 1.116 5078 W CA -0.911 56.527 57.345 0.155 0.000 1.146 5078 W CB 1.086 30.641 29.460 0.159 0.000 1.433 5078 W HN 0.622 nan 8.180 nan 0.000 0.561 5079 S N -0.396 115.548 115.700 0.408 0.000 2.806 5079 S HA 0.551 5.019 4.470 -0.003 0.000 0.306 5079 S C 0.153 175.041 174.600 0.481 0.000 1.167 5079 S CA -0.731 57.615 58.200 0.244 0.000 0.847 5079 S CB 1.464 64.769 63.200 0.176 0.000 1.216 5079 S HN 0.457 nan 8.310 nan 0.000 0.532 5080 I N 1.118 121.907 120.570 0.365 0.000 3.645 5080 I HA 0.061 4.229 4.170 -0.003 0.000 0.300 5080 I C 1.693 178.023 176.117 0.356 0.000 1.260 5080 I CA 0.488 62.013 61.300 0.376 0.000 1.365 5080 I CB -0.151 37.974 38.000 0.209 0.000 1.077 5080 I HN 0.662 nan 8.210 nan 0.000 0.439 5081 T N -0.256 114.506 114.554 0.346 0.000 2.937 5081 T HA 0.162 4.510 4.350 -0.003 0.000 0.260 5081 T C 1.447 176.299 174.700 0.254 0.000 1.051 5081 T CA 0.853 63.147 62.100 0.322 0.000 1.141 5081 T CB 0.047 69.067 68.868 0.254 0.000 0.879 5081 T HN 0.462 nan 8.240 nan 0.000 0.459 5082 G N 1.412 110.364 108.800 0.255 0.000 2.337 5082 G HA2 -0.083 3.875 3.960 -0.003 0.000 0.134 5082 G HA3 -0.083 3.875 3.960 -0.003 0.000 0.134 5082 G C -0.415 174.593 174.900 0.180 0.000 1.052 5082 G CA -0.551 44.683 45.100 0.223 0.000 0.737 5082 G HN 0.402 nan 8.290 nan 0.000 0.485 5083 E N 0.331 120.641 120.200 0.184 0.000 2.351 5083 E HA 0.804 5.152 4.350 -0.003 0.000 0.255 5083 E C 0.867 177.550 176.600 0.139 0.000 1.188 5083 E CA 0.679 57.161 56.400 0.138 0.000 0.940 5083 E CB 0.866 30.635 29.700 0.115 0.000 1.094 5083 E HN 0.601 nan 8.360 nan 0.000 0.474 5084 T N -2.475 112.142 114.554 0.106 0.000 2.916 5084 T HA 0.538 4.886 4.350 -0.003 0.000 0.305 5084 T C 0.829 175.574 174.700 0.075 0.000 1.119 5084 T CA -0.419 61.740 62.100 0.099 0.000 1.008 5084 T CB 1.546 70.466 68.868 0.086 0.000 1.129 5084 T HN 0.680 nan 8.240 nan 0.000 0.480 5085 G N 1.819 110.663 108.800 0.073 0.000 2.451 5085 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.253 5085 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.253 5085 G C 0.320 175.245 174.900 0.043 0.000 1.033 5085 G CA 0.577 45.710 45.100 0.055 0.000 0.633 5085 G HN 1.517 nan 8.290 nan 0.000 0.537 5086 I N 0.715 121.310 120.570 0.041 0.000 2.291 5086 I HA 0.605 4.773 4.170 -0.003 0.000 0.290 5086 I C -0.828 175.294 176.117 0.008 0.000 1.050 5086 I CA -0.808 60.505 61.300 0.022 0.000 1.245 5086 I CB 0.938 38.950 38.000 0.021 0.000 1.405 5086 I HN 0.193 nan 8.210 nan 0.000 0.478 5087 D N 5.644 126.038 120.400 -0.010 0.000 2.344 5087 D HA 0.606 5.244 4.640 -0.003 0.000 0.239 5087 D C -2.375 173.873 176.300 -0.086 0.000 1.064 5087 D CA -1.621 52.355 54.000 -0.041 0.000 0.829 5087 D CB 1.208 41.998 40.800 -0.017 0.000 1.129 5087 D HN 0.311 nan 8.370 nan 0.000 0.506 5088 P HA 0.200 nan 4.420 nan 0.000 0.271 5088 P C 0.759 177.936 177.300 -0.205 0.000 1.228 5088 P CA -0.375 62.642 63.100 -0.138 0.000 0.797 5088 P CB 0.455 32.059 31.700 -0.160 0.000 0.914 5089 G N -0.708 108.004 108.800 -0.147 0.000 2.516 5089 G HA2 0.055 4.013 3.960 -0.003 0.000 0.276 5089 G HA3 0.055 4.013 3.960 -0.003 0.000 0.276 5089 G C 0.579 175.277 174.900 -0.337 0.000 1.390 5089 G CA -0.523 44.475 45.100 -0.170 0.000 1.050 5089 G HN 0.554 nan 8.290 nan 0.000 0.519 5090 F N -0.832 118.790 119.950 -0.547 0.000 2.111 5090 F HA -0.110 4.415 4.527 -0.004 0.000 0.300 5090 F C 1.078 176.457 175.800 -0.702 0.000 1.088 5090 F CA 0.790 58.282 58.000 -0.845 0.000 1.243 5090 F CB 0.161 38.698 39.000 -0.772 0.000 0.996 5090 F HN 0.241 nan 8.300 nan 0.000 0.483 5091 W N 2.918 124.333 121.300 0.193 0.000 1.564 5091 W HA 0.223 4.880 4.660 -0.004 0.000 0.480 5091 W C 0.298 176.794 176.519 -0.038 0.000 0.699 5091 W CA 0.219 57.659 57.345 0.158 0.000 1.985 5091 W CB -0.776 28.725 29.460 0.068 0.000 1.738 5091 W HN -0.089 nan 8.180 nan 0.000 0.218 5092 S N 1.213 116.924 115.700 0.018 0.000 2.557 5092 S HA 0.378 4.846 4.470 -0.003 0.000 0.291 5092 S C 0.917 175.633 174.600 0.192 0.000 1.116 5092 S CA -0.594 57.574 58.200 -0.054 0.000 0.992 5092 S CB 0.560 63.668 63.200 -0.154 0.000 1.028 5092 S HN 0.158 nan 8.310 nan 0.000 0.484 5093 F N 2.618 122.641 119.950 0.121 0.000 2.130 5093 F HA -0.345 4.180 4.527 -0.003 0.000 0.263 5093 F C 2.221 178.092 175.800 0.119 0.000 1.091 5093 F CA 2.686 60.739 58.000 0.089 0.000 1.478 5093 F CB -1.563 37.443 39.000 0.010 0.000 0.869 5093 F HN 0.676 nan 8.300 nan 0.000 0.481 5094 E N -0.164 120.248 120.200 0.354 0.000 2.065 5094 E HA -0.144 4.204 4.350 -0.003 0.000 0.201 5094 E C 2.532 179.222 176.600 0.150 0.000 1.016 5094 E CA 1.483 57.908 56.400 0.041 0.000 0.818 5094 E CB -1.175 28.119 29.700 -0.677 0.000 0.749 5094 E HN 0.505 nan 8.360 nan 0.000 0.453 5095 G N 0.413 109.438 108.800 0.375 0.000 2.545 5095 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.217 5095 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.217 5095 G C 1.755 176.872 174.900 0.361 0.000 1.218 5095 G CA 1.610 46.845 45.100 0.225 0.000 0.787 5095 G HN 0.233 nan 8.290 nan 0.000 0.571 5096 V N 1.545 121.690 119.914 0.384 0.000 2.357 5096 V HA -0.265 3.853 4.120 -0.003 0.000 0.257 5096 V C 3.149 179.407 176.094 0.272 0.000 1.082 5096 V CA 2.470 65.002 62.300 0.386 0.000 1.078 5096 V CB -1.062 30.922 31.823 0.267 0.000 0.663 5096 V HN 0.590 nan 8.190 nan 0.000 0.455 5097 A N -0.351 122.579 122.820 0.184 0.000 1.859 5097 A HA 0.038 4.356 4.320 -0.003 0.000 0.212 5097 A C 2.146 179.820 177.584 0.150 0.000 1.238 5097 A CA 1.053 53.149 52.037 0.098 0.000 0.613 5097 A CB -0.633 18.387 19.000 0.034 0.000 0.904 5097 A HN 0.376 nan 8.150 nan 0.000 0.457 5098 L N -0.034 121.258 121.223 0.115 0.000 2.357 5098 L HA -0.201 4.137 4.340 -0.003 0.000 0.220 5098 L C 2.121 179.127 176.870 0.226 0.000 1.123 5098 L CA 2.232 57.138 54.840 0.111 0.000 0.782 5098 L CB -1.323 40.760 42.059 0.040 0.000 0.910 5098 L HN 0.431 nan 8.230 nan 0.000 0.442 5099 A N -0.125 122.889 122.820 0.324 0.000 1.861 5099 A HA -0.198 4.120 4.320 -0.003 0.000 0.214 5099 A C 1.820 179.603 177.584 0.330 0.000 1.322 5099 A CA 1.194 53.463 52.037 0.387 0.000 0.601 5099 A CB -1.151 18.184 19.000 0.559 0.000 0.966 5099 A HN 0.553 nan 8.150 nan 0.000 0.471 5100 H N 0.119 119.290 119.070 0.169 0.000 2.501 5100 H HA -0.147 4.407 4.556 -0.004 0.000 0.296 5100 H C 1.745 177.136 175.328 0.105 0.000 1.115 5100 H CA 1.482 57.608 56.048 0.131 0.000 1.242 5100 H CB -0.421 29.416 29.762 0.124 0.000 1.363 5100 H HN 0.325 nan 8.280 nan 0.000 0.537 5101 I N 0.110 120.813 120.570 0.222 0.000 2.252 5101 I HA -0.181 3.986 4.170 -0.003 0.000 0.245 5101 I C 2.405 178.591 176.117 0.115 0.000 1.102 5101 I CA 1.128 62.507 61.300 0.132 0.000 1.385 5101 I CB -1.077 36.976 38.000 0.089 0.000 1.064 5101 I HN 0.237 nan 8.210 nan 0.000 0.414 5102 V N -0.680 119.310 119.914 0.127 0.000 2.453 5102 V HA -0.158 3.960 4.120 -0.003 0.000 0.247 5102 V C 2.475 178.629 176.094 0.100 0.000 1.048 5102 V CA 0.786 63.150 62.300 0.107 0.000 1.049 5102 V CB -1.292 30.597 31.823 0.111 0.000 0.672 5102 V HN 0.300 nan 8.190 nan 0.000 0.457 5103 L N 3.028 124.309 121.223 0.097 0.000 1.924 5103 L HA -0.202 4.136 4.340 -0.003 0.000 0.222 5103 L C 2.771 179.696 176.870 0.092 0.000 1.081 5103 L CA 3.032 57.913 54.840 0.068 0.000 0.780 5103 L CB -1.563 40.503 42.059 0.012 0.000 0.891 5103 L HN 0.588 nan 8.230 nan 0.000 0.434 5104 S N -0.379 115.385 115.700 0.106 0.000 2.393 5104 S HA -0.247 4.221 4.470 -0.003 0.000 0.234 5104 S C 2.160 176.852 174.600 0.154 0.000 1.064 5104 S CA 1.542 59.819 58.200 0.129 0.000 1.088 5104 S CB -2.226 61.049 63.200 0.126 0.000 0.939 5104 S HN 0.726 nan 8.310 nan 0.000 0.448 5105 G N 1.709 110.586 108.800 0.128 0.000 2.475 5105 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.220 5105 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.220 5105 G C 1.444 176.462 174.900 0.196 0.000 1.125 5105 G CA 1.225 46.410 45.100 0.141 0.000 0.755 5105 G HN 0.563 nan 8.290 nan 0.000 0.565 5106 L N -0.420 120.895 121.223 0.153 0.000 2.168 5106 L HA 0.206 4.544 4.340 -0.003 0.000 0.203 5106 L C 2.753 179.711 176.870 0.146 0.000 1.078 5106 L CA 0.104 55.025 54.840 0.134 0.000 0.780 5106 L CB -0.521 41.588 42.059 0.082 0.000 0.939 5106 L HN 0.118 nan 8.230 nan 0.000 0.451 5107 L N -0.365 120.947 121.223 0.147 0.000 2.263 5107 L HA -0.250 4.088 4.340 -0.003 0.000 0.216 5107 L C 2.589 179.579 176.870 0.201 0.000 1.111 5107 L CA 1.253 56.184 54.840 0.152 0.000 0.773 5107 L CB -0.616 41.530 42.059 0.145 0.000 0.906 5107 L HN 0.238 nan 8.230 nan 0.000 0.439 5108 F N 0.638 120.644 119.950 0.094 0.000 2.293 5108 F HA -0.130 4.395 4.527 -0.004 0.000 0.300 5108 F C 1.982 177.852 175.800 0.117 0.000 1.086 5108 F CA 1.238 59.296 58.000 0.097 0.000 1.375 5108 F CB -0.035 39.010 39.000 0.076 0.000 1.045 5108 F HN -0.107 nan 8.300 nan 0.000 0.516 5109 L N -0.223 121.014 121.223 0.022 0.000 2.071 5109 L HA 0.001 4.339 4.340 -0.003 0.000 0.201 5109 L C 2.860 179.740 176.870 0.017 0.000 1.076 5109 L CA 0.971 55.780 54.840 -0.051 0.000 0.755 5109 L CB -1.446 40.655 42.059 0.071 0.000 0.915 5109 L HN 0.104 nan 8.230 nan 0.000 0.445 5110 A N 0.465 123.315 122.820 0.050 0.000 1.997 5110 A HA -0.263 4.055 4.320 -0.003 0.000 0.221 5110 A C 2.462 180.169 177.584 0.206 0.000 1.172 5110 A CA 2.021 54.091 52.037 0.056 0.000 0.645 5110 A CB -0.768 18.263 19.000 0.052 0.000 0.813 5110 A HN 0.448 nan 8.150 nan 0.000 0.454 5111 A N -1.136 121.768 122.820 0.141 0.000 1.827 5111 A HA -0.262 4.056 4.320 -0.003 0.000 0.215 5111 A C 2.231 179.902 177.584 0.144 0.000 1.212 5111 A CA 1.546 53.672 52.037 0.149 0.000 0.624 5111 A CB -1.548 17.470 19.000 0.030 0.000 0.853 5111 A HN 0.844 nan 8.150 nan 0.000 0.450 5112 C N -0.122 119.111 119.300 -0.111 0.000 2.422 5112 C HA -0.066 4.392 4.460 -0.003 0.000 0.308 5112 C C 1.954 177.053 174.990 0.181 0.000 1.511 5112 C CA 0.632 59.616 59.018 -0.058 0.000 1.731 5112 C CB -2.144 25.427 27.740 -0.282 0.000 1.581 5112 C HN 0.745 nan 8.230 nan 0.000 0.596 5113 W N -0.168 121.184 121.300 0.086 0.000 2.783 5113 W HA 0.092 4.750 4.660 -0.004 0.000 0.287 5113 W C 1.807 178.478 176.519 0.252 0.000 1.085 5113 W CA 0.991 58.428 57.345 0.153 0.000 1.646 5113 W CB -1.171 28.279 29.460 -0.017 0.000 1.135 5113 W HN 0.301 nan 8.180 nan 0.000 0.548 5114 H N -0.211 119.244 119.070 0.640 0.000 2.561 5114 H HA -0.175 4.379 4.556 -0.004 0.000 0.289 5114 H C 1.630 177.180 175.328 0.369 0.000 1.054 5114 H CA 1.623 57.967 56.048 0.494 0.000 1.210 5114 H CB -0.683 29.415 29.762 0.561 0.000 1.353 5114 H HN 0.357 nan 8.280 nan 0.000 0.601 5115 W N 0.168 121.593 121.300 0.208 0.000 2.916 5115 W HA -0.111 4.547 4.660 -0.004 0.000 0.289 5115 W C 1.881 178.488 176.519 0.147 0.000 1.036 5115 W CA 0.522 57.963 57.345 0.159 0.000 1.776 5115 W CB -0.350 29.155 29.460 0.075 0.000 1.176 5115 W HN -0.142 nan 8.180 nan 0.000 0.534 5116 V N 1.068 121.131 119.914 0.250 0.000 2.250 5116 V HA -0.320 3.798 4.120 -0.003 0.000 0.250 5116 V C 0.965 176.956 176.094 -0.171 0.000 1.060 5116 V CA 1.754 64.049 62.300 -0.008 0.000 1.030 5116 V CB -1.225 30.450 31.823 -0.247 0.000 0.643 5116 V HN 0.120 nan 8.190 nan 0.000 0.445 5117 Y N 1.459 121.587 120.300 -0.288 0.000 2.724 5117 Y HA 0.043 4.591 4.550 -0.004 0.000 0.354 5117 Y C 1.225 177.010 175.900 -0.191 0.000 1.270 5117 Y CA -0.358 57.452 58.100 -0.483 0.000 1.902 5117 Y CB -0.634 37.106 38.460 -1.199 0.000 1.981 5117 Y HN 0.534 nan 8.280 nan 0.000 0.428 5118 W N -0.590 120.658 121.300 -0.085 0.000 2.762 5118 W HA 0.191 4.849 4.660 -0.003 0.000 0.265 5118 W C -0.754 175.819 176.519 0.089 0.000 1.263 5118 W CA 0.017 57.349 57.345 -0.022 0.000 1.411 5118 W CB 0.027 29.321 29.460 -0.277 0.000 1.065 5118 W HN 0.256 nan 8.180 nan 0.000 0.609 5119 D N 2.670 122.475 120.400 -0.991 0.000 2.467 5119 D HA 0.358 4.996 4.640 -0.003 0.000 0.220 5119 D C -0.445 175.609 176.300 -0.411 0.000 1.103 5119 D CA 0.015 53.432 54.000 -0.973 0.000 0.886 5119 D CB 0.193 40.067 40.800 -1.543 0.000 1.025 5119 D HN -0.050 nan 8.370 nan 0.000 0.514 5120 L N 2.267 123.367 121.223 -0.206 0.000 2.319 5120 L HA 0.503 4.841 4.340 -0.003 0.000 0.267 5120 L C 1.412 178.161 176.870 -0.202 0.000 1.011 5120 L CA -1.057 53.630 54.840 -0.255 0.000 0.818 5120 L CB 1.526 43.333 42.059 -0.421 0.000 1.316 5120 L HN 0.229 nan 8.230 nan 0.000 0.432 5121 E N 1.243 121.343 120.200 -0.165 0.000 2.021 5121 E HA -0.235 4.113 4.350 -0.003 0.000 0.200 5121 E C 1.831 178.378 176.600 -0.088 0.000 1.015 5121 E CA 1.724 58.065 56.400 -0.099 0.000 0.824 5121 E CB -0.142 29.511 29.700 -0.079 0.000 0.762 5121 E HN 0.563 nan 8.360 nan 0.000 0.454 5122 L N 0.217 121.342 121.223 -0.163 0.000 2.151 5122 L HA -0.208 4.130 4.340 -0.003 0.000 0.215 5122 L C 2.053 178.961 176.870 0.064 0.000 1.084 5122 L CA 1.815 56.583 54.840 -0.119 0.000 0.764 5122 L CB -0.977 40.939 42.059 -0.238 0.000 0.891 5122 L HN 0.346 nan 8.230 nan 0.000 0.435 5123 F N -1.142 118.830 119.950 0.037 0.000 2.797 5123 F HA 0.057 4.582 4.527 -0.003 0.000 0.302 5123 F C 0.967 176.787 175.800 0.033 0.000 1.130 5123 F CA -0.568 57.459 58.000 0.045 0.000 1.387 5123 F CB 0.202 39.239 39.000 0.061 0.000 1.107 5123 F HN -0.089 nan 8.300 nan 0.000 0.577 5124 R N 1.254 121.853 120.500 0.166 0.000 2.343 5124 R HA 0.158 4.496 4.340 -0.003 0.000 0.320 5124 R C -0.842 175.503 176.300 0.075 0.000 0.956 5124 R CA -0.511 55.648 56.100 0.098 0.000 0.836 5124 R CB 0.819 31.144 30.300 0.042 0.000 1.151 5124 R HN -0.016 nan 8.270 nan 0.000 0.450 5125 D N 4.737 125.181 120.400 0.074 0.000 2.351 5125 D HA 0.089 4.727 4.640 -0.003 0.000 0.251 5125 D C -1.313 175.011 176.300 0.040 0.000 1.137 5125 D CA -1.462 52.574 54.000 0.060 0.000 0.879 5125 D CB 1.648 42.485 40.800 0.062 0.000 1.181 5125 D HN 0.187 nan 8.370 nan 0.000 0.448 5126 P HA -0.207 nan 4.420 nan 0.000 0.199 5126 P C 1.316 178.627 177.300 0.019 0.000 1.118 5126 P CA 0.944 64.057 63.100 0.021 0.000 0.913 5126 P CB 0.024 31.735 31.700 0.018 0.000 0.738 5127 R N 1.288 121.799 120.500 0.018 0.000 2.174 5127 R HA -0.122 4.216 4.340 -0.003 0.000 0.253 5127 R C 0.654 176.964 176.300 0.016 0.000 1.165 5127 R CA 1.992 58.100 56.100 0.014 0.000 0.984 5127 R CB -2.583 27.724 30.300 0.013 0.000 0.873 5127 R HN 0.425 nan 8.270 nan 0.000 0.456 5128 T N -1.908 112.660 114.554 0.023 0.000 2.845 5128 T HA 0.582 4.930 4.350 -0.003 0.000 0.288 5128 T C 0.492 175.208 174.700 0.026 0.000 0.980 5128 T CA -0.329 61.786 62.100 0.025 0.000 1.071 5128 T CB 2.005 70.893 68.868 0.033 0.000 0.941 5128 T HN 0.276 nan 8.240 nan 0.000 0.487 5129 G N 2.866 111.680 108.800 0.024 0.000 3.161 5129 G HA2 0.542 4.500 3.960 -0.003 0.000 0.293 5129 G HA3 0.542 4.500 3.960 -0.003 0.000 0.293 5129 G C -0.320 174.598 174.900 0.031 0.000 0.893 5129 G CA -0.672 44.442 45.100 0.024 0.000 1.756 5129 G HN 1.027 nan 8.290 nan 0.000 0.549 5130 E N 0.342 120.565 120.200 0.039 0.000 2.383 5130 E HA 0.237 4.585 4.350 -0.003 0.000 0.274 5130 E C -3.280 173.359 176.600 0.065 0.000 1.205 5130 E CA -1.579 54.852 56.400 0.051 0.000 0.912 5130 E CB 0.668 30.396 29.700 0.046 0.000 1.345 5130 E HN 0.095 nan 8.360 nan 0.000 0.413 5131 P HA 0.458 nan 4.420 nan 0.000 0.292 5131 P C -1.235 176.113 177.300 0.079 0.000 1.326 5131 P CA -0.140 63.020 63.100 0.100 0.000 0.787 5131 P CB 1.194 32.973 31.700 0.131 0.000 0.903 5132 A N 4.053 126.924 122.820 0.084 0.000 2.498 5132 A HA 0.716 5.034 4.320 -0.003 0.000 0.298 5132 A C -1.690 175.941 177.584 0.078 0.000 1.075 5132 A CA -0.735 51.344 52.037 0.070 0.000 0.714 5132 A CB 1.442 20.483 19.000 0.069 0.000 1.299 5132 A HN 0.480 nan 8.150 nan 0.000 0.407 5133 L N 1.760 123.018 121.223 0.058 0.000 2.372 5133 L HA 0.380 4.718 4.340 -0.003 0.000 0.274 5133 L C -0.520 176.386 176.870 0.060 0.000 0.988 5133 L CA -0.243 54.633 54.840 0.060 0.000 0.833 5133 L CB 1.697 43.769 42.059 0.022 0.000 1.236 5133 L HN 0.798 nan 8.230 nan 0.000 0.410 5134 D N 3.840 124.283 120.400 0.073 0.000 2.383 5134 D HA 0.108 4.746 4.640 -0.003 0.000 0.252 5134 D C 0.343 176.677 176.300 0.056 0.000 1.166 5134 D CA 0.039 54.083 54.000 0.073 0.000 0.879 5134 D CB 1.263 42.109 40.800 0.077 0.000 1.164 5134 D HN 0.437 nan 8.370 nan 0.000 0.462 5135 L N 5.443 126.691 121.223 0.042 0.000 2.435 5135 L HA 0.209 4.547 4.340 -0.003 0.000 0.195 5135 L C -0.959 175.970 176.870 0.097 0.000 1.072 5135 L CA -0.045 54.823 54.840 0.045 0.000 0.833 5135 L CB -1.624 40.430 42.059 -0.009 0.000 1.081 5135 L HN 0.322 nan 8.230 nan 0.000 0.485 5136 P HA -0.235 nan 4.420 nan 0.000 0.219 5136 P C 1.407 178.820 177.300 0.189 0.000 1.145 5136 P CA 1.668 64.859 63.100 0.151 0.000 0.813 5136 P CB 0.131 31.903 31.700 0.120 0.000 0.771 5137 K N -1.747 118.721 120.400 0.113 0.000 2.266 5137 K HA 0.112 4.430 4.320 -0.003 0.000 0.209 5137 K C 2.012 178.606 176.600 -0.009 0.000 1.065 5137 K CA 0.234 56.553 56.287 0.052 0.000 0.946 5137 K CB -0.581 31.941 32.500 0.038 0.000 1.069 5137 K HN -0.137 nan 8.250 nan 0.000 0.472 5138 M N 1.103 120.699 119.600 -0.006 0.000 2.345 5138 M HA -0.305 4.172 4.480 -0.003 0.000 0.253 5138 M C 1.833 178.037 176.300 -0.161 0.000 1.068 5138 M CA 2.480 57.719 55.300 -0.100 0.000 1.069 5138 M CB -0.495 32.092 32.600 -0.022 0.000 1.292 5138 M HN 0.321 nan 8.290 nan 0.000 0.430 5139 F N 0.715 120.613 119.950 -0.087 0.000 2.000 5139 F HA -0.091 4.434 4.527 -0.003 0.000 0.296 5139 F C 2.150 177.933 175.800 -0.028 0.000 1.159 5139 F CA 2.254 60.232 58.000 -0.036 0.000 1.183 5139 F CB -1.581 37.401 39.000 -0.029 0.000 0.959 5139 F HN 0.247 nan 8.300 nan 0.000 0.490 5140 G N 1.105 109.306 108.800 -0.998 0.000 2.606 5140 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.223 5140 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.223 5140 G C 1.852 176.561 174.900 -0.318 0.000 1.106 5140 G CA 1.592 46.216 45.100 -0.794 0.000 0.745 5140 G HN 0.571 nan 8.290 nan 0.000 0.597 5141 I N -0.218 120.227 120.570 -0.207 0.000 2.072 5141 I HA -0.212 3.956 4.170 -0.003 0.000 0.235 5141 I C 2.489 178.631 176.117 0.042 0.000 1.058 5141 I CA 1.765 63.027 61.300 -0.064 0.000 1.320 5141 I CB -0.744 37.155 38.000 -0.168 0.000 1.047 5141 I HN 0.253 nan 8.210 nan 0.000 0.397 5142 H N 0.235 119.326 119.070 0.036 0.000 2.400 5142 H HA -0.243 4.311 4.556 -0.003 0.000 0.295 5142 H C 2.138 177.488 175.328 0.036 0.000 1.118 5142 H CA 1.184 57.258 56.048 0.043 0.000 1.256 5142 H CB -0.033 29.768 29.762 0.066 0.000 1.365 5142 H HN 0.240 nan 8.280 nan 0.000 0.502 5143 L N 0.679 121.960 121.223 0.096 0.000 1.956 5143 L HA -0.235 4.103 4.340 -0.003 0.000 0.216 5143 L C 2.240 179.186 176.870 0.127 0.000 1.073 5143 L CA 1.722 56.589 54.840 0.046 0.000 0.762 5143 L CB -1.297 40.644 42.059 -0.196 0.000 0.889 5143 L HN 0.248 nan 8.230 nan 0.000 0.433 5144 F N 0.534 120.460 119.950 -0.040 0.000 2.111 5144 F HA -0.298 4.227 4.527 -0.004 0.000 0.300 5144 F C 2.309 178.127 175.800 0.030 0.000 1.088 5144 F CA 1.922 59.920 58.000 -0.003 0.000 1.243 5144 F CB -0.677 38.316 39.000 -0.012 0.000 0.996 5144 F HN 0.158 nan 8.300 nan 0.000 0.483 5145 L N -0.546 120.647 121.223 -0.049 0.000 2.027 5145 L HA -0.103 4.235 4.340 -0.003 0.000 0.206 5145 L C 2.814 179.640 176.870 -0.072 0.000 1.074 5145 L CA 1.005 55.750 54.840 -0.158 0.000 0.745 5145 L CB -1.622 40.410 42.059 -0.045 0.000 0.898 5145 L HN 0.177 nan 8.230 nan 0.000 0.433 5146 A N 1.156 123.980 122.820 0.007 0.000 1.849 5146 A HA -0.225 4.092 4.320 -0.003 0.000 0.216 5146 A C 2.435 180.035 177.584 0.028 0.000 1.225 5146 A CA 2.292 54.339 52.037 0.018 0.000 0.653 5146 A CB -1.690 17.340 19.000 0.052 0.000 0.844 5146 A HN 0.415 nan 8.150 nan 0.000 0.453 5147 G N -0.628 108.213 108.800 0.068 0.000 2.513 5147 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.219 5147 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.219 5147 G C 1.615 176.588 174.900 0.122 0.000 1.160 5147 G CA 1.284 46.445 45.100 0.102 0.000 0.767 5147 G HN 0.564 nan 8.290 nan 0.000 0.571 5148 L N -0.599 120.658 121.223 0.057 0.000 2.021 5148 L HA -0.144 4.194 4.340 -0.003 0.000 0.215 5148 L C 2.694 179.598 176.870 0.057 0.000 1.074 5148 L CA 1.558 56.414 54.840 0.028 0.000 0.760 5148 L CB -0.199 41.700 42.059 -0.265 0.000 0.889 5148 L HN 0.295 nan 8.230 nan 0.000 0.433 5149 L N -0.637 120.582 121.223 -0.006 0.000 2.023 5149 L HA -0.220 4.117 4.340 -0.003 0.000 0.205 5149 L C 2.697 179.585 176.870 0.029 0.000 1.073 5149 L CA 1.989 56.819 54.840 -0.017 0.000 0.745 5149 L CB -1.047 40.979 42.059 -0.056 0.000 0.900 5149 L HN 0.542 nan 8.230 nan 0.000 0.435 5150 C N -0.379 118.945 119.300 0.039 0.000 2.391 5150 C HA -0.277 4.181 4.460 -0.003 0.000 0.276 5150 C C 2.816 177.867 174.990 0.102 0.000 1.217 5150 C CA 1.389 60.425 59.018 0.029 0.000 1.766 5150 C CB -1.434 26.325 27.740 0.032 0.000 2.046 5150 C HN 0.675 nan 8.230 nan 0.000 0.475 5151 F N 2.072 122.041 119.950 0.031 0.000 2.149 5151 F HA 0.204 4.729 4.527 -0.004 0.000 0.294 5151 F C 2.218 178.059 175.800 0.070 0.000 1.095 5151 F CA 1.749 59.773 58.000 0.040 0.000 1.276 5151 F CB -1.276 37.738 39.000 0.024 0.000 1.023 5151 F HN 0.203 nan 8.300 nan 0.000 0.480 5152 G N 0.210 108.742 108.800 -0.446 0.000 2.562 5152 G HA2 -0.361 3.597 3.960 -0.003 0.000 0.223 5152 G HA3 -0.361 3.597 3.960 -0.003 0.000 0.223 5152 G C 1.564 176.398 174.900 -0.110 0.000 1.102 5152 G CA 1.309 46.147 45.100 -0.438 0.000 0.742 5152 G HN 0.475 nan 8.290 nan 0.000 0.587 5153 F N 1.845 121.677 119.950 -0.197 0.000 2.208 5153 F HA 0.266 4.790 4.527 -0.004 0.000 0.282 5153 F C 2.490 178.270 175.800 -0.033 0.000 1.071 5153 F CA 0.764 58.713 58.000 -0.084 0.000 1.228 5153 F CB -0.826 38.086 39.000 -0.148 0.000 1.088 5153 F HN 0.106 nan 8.300 nan 0.000 0.512 5154 G N 0.575 109.257 108.800 -0.196 0.000 2.732 5154 G HA2 -0.383 3.575 3.960 -0.003 0.000 0.222 5154 G HA3 -0.383 3.575 3.960 -0.003 0.000 0.222 5154 G C 1.718 176.548 174.900 -0.116 0.000 1.203 5154 G CA 1.919 46.904 45.100 -0.192 0.000 0.780 5154 G HN 0.686 nan 8.290 nan 0.000 0.621 5155 A N -1.022 121.754 122.820 -0.074 0.000 1.984 5155 A HA 0.459 4.777 4.320 -0.003 0.000 0.214 5155 A C 2.185 179.881 177.584 0.187 0.000 1.173 5155 A CA 0.560 52.630 52.037 0.055 0.000 0.673 5155 A CB -0.131 18.979 19.000 0.183 0.000 0.830 5155 A HN 0.388 nan 8.150 nan 0.000 0.453 5156 F N -1.544 118.320 119.950 -0.144 0.000 2.615 5156 F HA 0.015 4.540 4.527 -0.004 0.000 0.297 5156 F C 2.003 177.859 175.800 0.093 0.000 1.124 5156 F CA 0.937 58.934 58.000 -0.004 0.000 1.451 5156 F CB 0.172 39.141 39.000 -0.051 0.000 1.103 5156 F HN 0.514 nan 8.300 nan 0.000 0.569 5157 H N -0.605 118.542 119.070 0.128 0.000 2.917 5157 H HA 0.112 4.666 4.556 -0.003 0.000 0.247 5157 H C 2.200 177.556 175.328 0.046 0.000 1.237 5157 H CA 0.410 56.517 56.048 0.098 0.000 1.711 5157 H CB -0.311 29.693 29.762 0.403 0.000 1.466 5157 H HN -0.138 nan 8.280 nan 0.000 0.560 5158 L N 0.900 122.289 121.223 0.276 0.000 2.054 5158 L HA -0.277 4.061 4.340 -0.003 0.000 0.220 5158 L C 2.608 179.513 176.870 0.059 0.000 1.081 5158 L CA 2.133 57.024 54.840 0.085 0.000 0.780 5158 L CB -1.334 40.604 42.059 -0.200 0.000 0.893 5158 L HN 0.637 nan 8.230 nan 0.000 0.438 5159 T N -2.721 111.855 114.554 0.037 0.000 3.052 5159 T HA -0.018 4.330 4.350 -0.003 0.000 0.270 5159 T C 1.557 176.291 174.700 0.056 0.000 1.147 5159 T CA 0.948 63.071 62.100 0.039 0.000 1.089 5159 T CB -0.341 68.570 68.868 0.071 0.000 0.875 5159 T HN 0.686 nan 8.240 nan 0.000 0.541 5160 G N 0.454 109.297 108.800 0.072 0.000 2.205 5160 G HA2 -0.303 3.655 3.960 -0.003 0.000 0.261 5160 G HA3 -0.303 3.655 3.960 -0.003 0.000 0.261 5160 G C 0.576 175.501 174.900 0.042 0.000 0.980 5160 G CA 0.457 45.587 45.100 0.049 0.000 0.632 5160 G HN 0.587 nan 8.290 nan 0.000 0.533 5161 L N -0.545 120.718 121.223 0.067 0.000 1.970 5161 L HA 0.339 4.676 4.340 -0.003 0.000 0.212 5161 L C 1.194 178.071 176.870 0.012 0.000 1.071 5161 L CA 2.263 57.137 54.840 0.056 0.000 0.751 5161 L CB -0.296 41.849 42.059 0.143 0.000 0.889 5161 L HN 0.379 nan 8.230 nan 0.000 0.432 5162 F N 0.658 120.450 119.950 -0.263 0.000 2.453 5162 F HA 0.584 5.109 4.527 -0.003 0.000 0.358 5162 F C 0.270 175.860 175.800 -0.350 0.000 1.129 5162 F CA -0.398 57.350 58.000 -0.419 0.000 1.200 5162 F CB -0.036 38.441 39.000 -0.873 0.000 1.431 5162 F HN 0.252 nan 8.300 nan 0.000 0.503 5163 G N 5.075 113.862 108.800 -0.021 0.000 2.316 5163 G HA2 0.088 4.046 3.960 -0.003 0.000 0.349 5163 G HA3 0.088 4.046 3.960 -0.003 0.000 0.349 5163 G C -3.392 171.404 174.900 -0.175 0.000 1.274 5163 G CA -0.814 44.105 45.100 -0.301 0.000 1.018 5163 G HN 0.306 nan 8.290 nan 0.000 0.486 5164 P HA 0.502 nan 4.420 nan 0.000 0.285 5164 P C 1.005 178.380 177.300 0.126 0.000 1.269 5164 P CA 0.525 63.620 63.100 -0.009 0.000 0.844 5164 P CB 1.464 33.174 31.700 0.016 0.000 1.094 5165 G N 1.641 110.508 108.800 0.111 0.000 2.792 5165 G HA2 0.336 4.294 3.960 -0.003 0.000 0.147 5165 G HA3 0.336 4.294 3.960 -0.003 0.000 0.147 5165 G C 0.227 175.233 174.900 0.177 0.000 1.838 5165 G CA 0.292 45.468 45.100 0.128 0.000 0.980 5165 G HN 0.732 nan 8.290 nan 0.000 0.436 5166 M N -2.948 116.720 119.600 0.114 0.000 2.471 5166 M HA 0.344 4.822 4.480 -0.003 0.000 0.284 5166 M C -1.313 175.069 176.300 0.138 0.000 1.203 5166 M CA -0.983 54.407 55.300 0.150 0.000 0.915 5166 M CB 2.198 34.862 32.600 0.107 0.000 1.734 5166 M HN 0.533 nan 8.290 nan 0.000 0.485 5167 W N 4.076 125.414 121.300 0.062 0.000 2.385 5167 W HA 0.453 5.111 4.660 -0.003 0.000 0.336 5167 W C -2.003 174.540 176.519 0.041 0.000 1.351 5167 W CA 0.805 58.184 57.345 0.058 0.000 1.295 5167 W CB 0.544 30.049 29.460 0.074 0.000 1.239 5167 W HN 0.678 nan 8.180 nan 0.000 0.565 5168 V N 4.673 124.212 119.914 -0.625 0.000 3.242 5168 V HA 0.519 4.637 4.120 -0.003 0.000 0.298 5168 V C -0.193 175.613 176.094 -0.480 0.000 1.352 5168 V CA -0.357 61.726 62.300 -0.362 0.000 1.052 5168 V CB 1.824 33.545 31.823 -0.169 0.000 1.101 5168 V HN 0.685 nan 8.190 nan 0.000 0.446 5169 S N 0.363 115.938 115.700 -0.208 0.000 2.764 5169 S HA 0.715 5.183 4.470 -0.003 0.000 0.289 5169 S C -2.295 172.291 174.600 -0.023 0.000 1.235 5169 S CA -0.740 57.382 58.200 -0.130 0.000 1.081 5169 S CB 2.009 65.151 63.200 -0.096 0.000 1.319 5169 S HN 0.728 nan 8.310 nan 0.000 0.492 5170 D N 0.916 121.329 120.400 0.021 0.000 2.787 5170 D HA 0.423 5.061 4.640 -0.003 0.000 0.215 5170 D C -2.607 173.745 176.300 0.087 0.000 1.246 5170 D CA -0.709 53.323 54.000 0.054 0.000 0.798 5170 D CB 1.958 42.787 40.800 0.047 0.000 1.649 5170 D HN 0.281 nan 8.370 nan 0.000 0.507 5171 P HA -0.227 nan 4.420 nan 0.000 0.200 5171 P C -0.444 176.907 177.300 0.086 0.000 1.160 5171 P CA 1.312 64.468 63.100 0.092 0.000 0.840 5171 P CB -0.653 31.154 31.700 0.178 0.000 1.162 5172 Y N -1.959 118.315 120.300 -0.043 0.000 2.634 5172 Y HA 0.517 5.065 4.550 -0.003 0.000 0.340 5172 Y C 1.351 177.206 175.900 -0.074 0.000 1.058 5172 Y CA 0.221 58.286 58.100 -0.059 0.000 1.081 5172 Y CB 1.422 39.862 38.460 -0.033 0.000 1.295 5172 Y HN 0.069 nan 8.280 nan 0.000 0.487 5173 G N 1.916 110.003 108.800 -1.188 0.000 2.620 5173 G HA2 -0.318 3.639 3.960 -0.003 0.000 0.315 5173 G HA3 -0.318 3.639 3.960 -0.003 0.000 0.315 5173 G C -0.908 173.709 174.900 -0.471 0.000 1.179 5173 G CA 0.334 44.964 45.100 -0.782 0.000 0.971 5173 G HN 0.772 nan 8.290 nan 0.000 0.544 5174 L N 2.327 123.330 121.223 -0.368 0.000 2.485 5174 L HA 0.449 4.786 4.340 -0.003 0.000 0.275 5174 L C 1.667 178.454 176.870 -0.138 0.000 1.207 5174 L CA 1.188 55.923 54.840 -0.176 0.000 0.855 5174 L CB 0.179 42.260 42.059 0.037 0.000 1.114 5174 L HN 0.886 nan 8.230 nan 0.000 0.485 5175 T N -1.768 112.698 114.554 -0.146 0.000 3.268 5175 T HA 0.424 4.771 4.350 -0.003 0.000 0.258 5175 T C 0.720 175.374 174.700 -0.076 0.000 0.966 5175 T CA -0.321 61.718 62.100 -0.101 0.000 0.952 5175 T CB -0.143 68.648 68.868 -0.127 0.000 1.132 5175 T HN 0.718 nan 8.240 nan 0.000 0.536 5176 G N 0.877 109.655 108.800 -0.037 0.000 2.647 5176 G HA2 0.420 4.378 3.960 -0.003 0.000 0.234 5176 G HA3 0.420 4.378 3.960 -0.003 0.000 0.234 5176 G C -0.313 174.154 174.900 -0.722 0.000 1.252 5176 G CA -0.059 44.831 45.100 -0.350 0.000 0.846 5176 G HN 0.683 nan 8.290 nan 0.000 0.589 5177 S N -1.535 113.361 115.700 -1.340 0.000 2.643 5177 S HA 0.354 4.822 4.470 -0.003 0.000 0.266 5177 S C -1.430 172.684 174.600 -0.811 0.000 1.130 5177 S CA -0.198 57.438 58.200 -0.941 0.000 0.817 5177 S CB 1.333 64.329 63.200 -0.341 0.000 1.107 5177 S HN 1.374 nan 8.310 nan 0.000 0.471 5178 V N 3.162 122.917 119.914 -0.265 0.000 2.311 5178 V HA 0.630 4.748 4.120 -0.003 0.000 0.275 5178 V C -0.739 175.325 176.094 -0.050 0.000 1.022 5178 V CA 0.222 62.486 62.300 -0.059 0.000 0.830 5178 V CB 0.454 32.365 31.823 0.147 0.000 1.012 5178 V HN 0.837 nan 8.190 nan 0.000 0.452 5179 Q N 7.671 127.429 119.800 -0.070 0.000 2.496 5179 Q HA 0.600 4.938 4.340 -0.003 0.000 0.286 5179 Q C -2.700 173.293 176.000 -0.011 0.000 1.103 5179 Q CA -2.169 53.610 55.803 -0.040 0.000 0.813 5179 Q CB 2.664 31.363 28.738 -0.065 0.000 1.444 5179 Q HN 0.504 nan 8.270 nan 0.000 0.443 5180 P HA 0.100 nan 4.420 nan 0.000 0.275 5180 P C -0.888 176.409 177.300 -0.006 0.000 1.227 5180 P CA -0.051 63.057 63.100 0.014 0.000 0.781 5180 P CB 0.926 32.637 31.700 0.017 0.000 0.906 5181 V N 2.538 122.445 119.914 -0.012 0.000 2.581 5181 V HA 0.566 4.684 4.120 -0.003 0.000 0.303 5181 V C 0.393 176.457 176.094 -0.050 0.000 1.041 5181 V CA -0.842 61.434 62.300 -0.041 0.000 0.907 5181 V CB 1.647 33.432 31.823 -0.064 0.000 0.994 5181 V HN 0.720 nan 8.190 nan 0.000 0.442 5182 A N 6.578 129.364 122.820 -0.057 0.000 2.253 5182 A HA 0.729 5.047 4.320 -0.003 0.000 0.316 5182 A C -2.272 175.229 177.584 -0.139 0.000 1.327 5182 A CA -1.655 50.346 52.037 -0.060 0.000 0.917 5182 A CB 0.367 19.356 19.000 -0.019 0.000 1.162 5182 A HN 0.641 nan 8.150 nan 0.000 0.535 5183 P HA 0.001 nan 4.420 nan 0.000 0.262 5183 P C -0.577 176.394 177.300 -0.548 0.000 1.199 5183 P CA 0.422 63.220 63.100 -0.504 0.000 0.763 5183 P CB 0.680 31.926 31.700 -0.757 0.000 0.790 5184 E N 3.287 123.236 120.200 -0.419 0.000 2.114 5184 E HA 0.143 4.491 4.350 -0.003 0.000 0.266 5184 E C -0.312 176.187 176.600 -0.168 0.000 0.896 5184 E CA -0.590 55.699 56.400 -0.185 0.000 0.750 5184 E CB 0.451 30.119 29.700 -0.054 0.000 1.121 5184 E HN 0.384 nan 8.360 nan 0.000 0.413 5185 W N 3.350 124.682 121.300 0.053 0.000 3.003 5185 W HA 0.245 4.903 4.660 -0.003 0.000 0.257 5185 W C 1.256 177.850 176.519 0.124 0.000 1.308 5185 W CA -0.029 57.366 57.345 0.084 0.000 1.529 5185 W CB -0.241 29.262 29.460 0.072 0.000 1.115 5185 W HN 0.507 nan 8.180 nan 0.000 0.659 5186 G N 2.837 111.820 108.800 0.304 0.000 2.825 5186 G HA2 -0.029 3.929 3.960 -0.003 0.000 0.241 5186 G HA3 -0.029 3.929 3.960 -0.003 0.000 0.241 5186 G C -0.672 174.364 174.900 0.226 0.000 1.239 5186 G CA -0.356 44.871 45.100 0.211 0.000 0.859 5186 G HN -0.023 nan 8.290 nan 0.000 0.598 5187 P HA -0.156 nan 4.420 nan 0.000 0.216 5187 P C 0.913 178.348 177.300 0.225 0.000 1.150 5187 P CA 1.607 64.786 63.100 0.133 0.000 0.843 5187 P CB 0.158 31.875 31.700 0.028 0.000 0.787 5188 D N -0.208 120.291 120.400 0.166 0.000 2.390 5188 D HA -0.007 4.631 4.640 -0.003 0.000 0.235 5188 D C 1.955 178.347 176.300 0.153 0.000 1.040 5188 D CA 0.572 54.660 54.000 0.146 0.000 0.923 5188 D CB -0.967 39.886 40.800 0.088 0.000 0.886 5188 D HN 0.111 nan 8.370 nan 0.000 0.532 5189 G N -1.165 107.768 108.800 0.222 0.000 2.848 5189 G HA2 -0.121 3.837 3.960 -0.003 0.000 0.208 5189 G HA3 -0.121 3.837 3.960 -0.003 0.000 0.208 5189 G C 0.751 175.586 174.900 -0.108 0.000 1.152 5189 G CA 0.025 45.150 45.100 0.042 0.000 0.789 5189 G HN 0.250 nan 8.290 nan 0.000 0.531 5190 F N -0.205 119.739 119.950 -0.009 0.000 2.731 5190 F HA 0.261 4.786 4.527 -0.004 0.000 0.298 5190 F C 1.160 176.927 175.800 -0.054 0.000 1.106 5190 F CA -1.110 56.875 58.000 -0.024 0.000 1.329 5190 F CB -0.050 38.948 39.000 -0.004 0.000 1.100 5190 F HN 0.026 nan 8.300 nan 0.000 0.592 5191 N N 4.101 122.866 118.700 0.108 0.000 2.400 5191 N HA -0.007 4.731 4.740 -0.003 0.000 0.278 5191 N C -1.450 174.020 175.510 -0.067 0.000 1.247 5191 N CA -1.016 52.052 53.050 0.030 0.000 0.970 5191 N CB 0.661 39.197 38.487 0.082 0.000 1.312 5191 N HN -0.094 nan 8.380 nan 0.000 0.488 5192 P HA -0.278 nan 4.420 nan 0.000 0.222 5192 P C 0.542 177.722 177.300 -0.199 0.000 1.155 5192 P CA 1.703 64.645 63.100 -0.263 0.000 0.890 5192 P CB -0.068 31.390 31.700 -0.403 0.000 0.790 5193 Y N -0.051 120.242 120.300 -0.011 0.000 2.128 5193 Y HA -0.092 4.455 4.550 -0.004 0.000 0.284 5193 Y C 1.686 177.572 175.900 -0.023 0.000 1.154 5193 Y CA 0.197 58.291 58.100 -0.009 0.000 1.149 5193 Y CB -1.940 36.522 38.460 0.003 0.000 0.976 5193 Y HN 0.056 nan 8.280 nan 0.000 0.505 5194 N N 2.340 121.113 118.700 0.121 0.000 2.394 5194 N HA -0.075 4.663 4.740 -0.003 0.000 0.277 5194 N C -2.088 173.412 175.510 -0.015 0.000 1.346 5194 N CA -0.641 52.436 53.050 0.045 0.000 0.910 5194 N CB 0.846 39.348 38.487 0.024 0.000 1.201 5194 N HN 0.074 nan 8.380 nan 0.000 0.488 5195 P HA -0.096 nan 4.420 nan 0.000 0.214 5195 P C 1.302 178.543 177.300 -0.098 0.000 1.163 5195 P CA 1.430 64.500 63.100 -0.049 0.000 0.889 5195 P CB -0.087 31.593 31.700 -0.033 0.000 0.790 5196 G N -0.093 108.652 108.800 -0.093 0.000 2.547 5196 G HA2 -0.299 3.658 3.960 -0.003 0.000 0.221 5196 G HA3 -0.299 3.658 3.960 -0.003 0.000 0.221 5196 G C 1.754 176.536 174.900 -0.197 0.000 1.140 5196 G CA 1.120 46.137 45.100 -0.137 0.000 0.760 5196 G HN 0.418 nan 8.290 nan 0.000 0.583 5197 G N -0.460 108.240 108.800 -0.166 0.000 2.601 5197 G HA2 0.019 3.976 3.960 -0.003 0.000 0.214 5197 G HA3 0.019 3.976 3.960 -0.003 0.000 0.214 5197 G C 1.358 176.095 174.900 -0.273 0.000 1.132 5197 G CA 1.171 46.141 45.100 -0.217 0.000 0.761 5197 G HN 0.418 nan 8.290 nan 0.000 0.550 5198 V N -0.467 119.292 119.914 -0.258 0.000 2.627 5198 V HA -0.022 4.096 4.120 -0.003 0.000 0.239 5198 V C 2.726 178.620 176.094 -0.332 0.000 1.077 5198 V CA 0.685 62.800 62.300 -0.308 0.000 1.103 5198 V CB 0.099 31.759 31.823 -0.273 0.000 0.802 5198 V HN 0.165 nan 8.190 nan 0.000 0.482 5199 V N 1.221 120.959 119.914 -0.294 0.000 2.469 5199 V HA -0.241 3.877 4.120 -0.003 0.000 0.251 5199 V C 2.710 178.610 176.094 -0.324 0.000 1.064 5199 V CA 2.040 64.168 62.300 -0.287 0.000 1.066 5199 V CB -1.260 30.423 31.823 -0.234 0.000 0.667 5199 V HN 0.528 nan 8.190 nan 0.000 0.461 5200 A N -0.131 122.426 122.820 -0.439 0.000 1.969 5200 A HA -0.242 4.076 4.320 -0.003 0.000 0.218 5200 A C 2.119 179.480 177.584 -0.371 0.000 1.169 5200 A CA 1.966 53.587 52.037 -0.694 0.000 0.635 5200 A CB -0.726 17.796 19.000 -0.798 0.000 0.810 5200 A HN 0.779 nan 8.150 nan 0.000 0.445 5201 H N -1.446 117.423 119.070 -0.336 0.000 2.333 5201 H HA -0.091 4.463 4.556 -0.003 0.000 0.302 5201 H C 1.910 177.210 175.328 -0.046 0.000 1.075 5201 H CA 2.113 58.032 56.048 -0.215 0.000 1.348 5201 H CB -0.370 29.198 29.762 -0.323 0.000 1.393 5201 H HN 0.690 nan 8.280 nan 0.000 0.509 5202 H N -0.529 118.478 119.070 -0.106 0.000 2.326 5202 H HA -0.083 4.471 4.556 -0.004 0.000 0.301 5202 H C 2.477 177.790 175.328 -0.025 0.000 1.081 5202 H CA 0.927 56.921 56.048 -0.090 0.000 1.334 5202 H CB 0.154 29.860 29.762 -0.092 0.000 1.385 5202 H HN 0.400 nan 8.280 nan 0.000 0.504 5203 I N 0.694 121.351 120.570 0.145 0.000 2.208 5203 I HA -0.273 3.894 4.170 -0.003 0.000 0.245 5203 I C 2.394 178.685 176.117 0.291 0.000 1.097 5203 I CA 1.288 62.783 61.300 0.325 0.000 1.363 5203 I CB -0.160 38.003 38.000 0.272 0.000 1.051 5203 I HN 0.268 nan 8.210 nan 0.000 0.413 5204 A N 0.505 123.439 122.820 0.191 0.000 1.897 5204 A HA 0.004 4.322 4.320 -0.003 0.000 0.215 5204 A C 2.382 179.989 177.584 0.039 0.000 1.181 5204 A CA 1.387 53.541 52.037 0.195 0.000 0.620 5204 A CB -0.836 18.333 19.000 0.283 0.000 0.821 5204 A HN 0.560 nan 8.150 nan 0.000 0.443 5205 A N -0.625 122.135 122.820 -0.101 0.000 2.067 5205 A HA 0.302 4.620 4.320 -0.003 0.000 0.217 5205 A C 2.226 179.822 177.584 0.021 0.000 1.156 5205 A CA 1.359 53.335 52.037 -0.103 0.000 0.683 5205 A CB -0.992 17.832 19.000 -0.292 0.000 0.808 5205 A HN 0.611 nan 8.150 nan 0.000 0.455 5206 G N 0.679 109.532 108.800 0.088 0.000 2.421 5206 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.216 5206 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.216 5206 G C 1.499 176.456 174.900 0.094 0.000 1.171 5206 G CA 1.161 46.357 45.100 0.161 0.000 0.775 5206 G HN 0.453 nan 8.290 nan 0.000 0.543 5207 I N 0.575 121.156 120.570 0.017 0.000 2.068 5207 I HA -0.245 3.923 4.170 -0.003 0.000 0.238 5207 I C 2.773 178.903 176.117 0.021 0.000 1.046 5207 I CA 1.136 62.411 61.300 -0.041 0.000 1.306 5207 I CB -0.538 37.426 38.000 -0.059 0.000 1.023 5207 I HN 0.030 nan 8.210 nan 0.000 0.399 5208 V N 1.079 121.012 119.914 0.032 0.000 2.660 5208 V HA -0.243 3.875 4.120 -0.003 0.000 0.257 5208 V C 2.287 178.419 176.094 0.063 0.000 1.088 5208 V CA 1.986 64.313 62.300 0.046 0.000 1.106 5208 V CB -1.532 30.318 31.823 0.044 0.000 0.686 5208 V HN 0.654 nan 8.190 nan 0.000 0.481 5209 G N -0.322 108.525 108.800 0.079 0.000 2.447 5209 G HA2 -0.036 3.922 3.960 -0.003 0.000 0.211 5209 G HA3 -0.036 3.922 3.960 -0.003 0.000 0.211 5209 G C 1.467 176.454 174.900 0.145 0.000 1.184 5209 G CA 0.493 45.652 45.100 0.099 0.000 0.813 5209 G HN 0.426 nan 8.290 nan 0.000 0.540 5210 I N 0.981 121.666 120.570 0.191 0.000 2.068 5210 I HA -0.263 3.904 4.170 -0.003 0.000 0.238 5210 I C 2.725 178.926 176.117 0.139 0.000 1.046 5210 I CA 1.290 62.783 61.300 0.321 0.000 1.306 5210 I CB -0.476 37.694 38.000 0.282 0.000 1.023 5210 I HN 0.117 nan 8.210 nan 0.000 0.399 5211 I N 0.943 121.562 120.570 0.082 0.000 2.113 5211 I HA -0.402 3.766 4.170 -0.003 0.000 0.242 5211 I C 2.862 179.043 176.117 0.107 0.000 1.057 5211 I CA 1.839 63.175 61.300 0.061 0.000 1.314 5211 I CB -0.627 37.414 38.000 0.068 0.000 1.022 5211 I HN 0.317 nan 8.210 nan 0.000 0.408 5212 A N 0.873 123.759 122.820 0.110 0.000 1.883 5212 A HA -0.161 4.157 4.320 -0.003 0.000 0.217 5212 A C 2.435 180.108 177.584 0.149 0.000 1.186 5212 A CA 2.094 54.211 52.037 0.134 0.000 0.624 5212 A CB -1.528 17.505 19.000 0.056 0.000 0.822 5212 A HN 0.501 nan 8.150 nan 0.000 0.444 5213 G N 0.018 108.848 108.800 0.050 0.000 2.545 5213 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.217 5213 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.217 5213 G C 1.562 176.424 174.900 -0.063 0.000 1.218 5213 G CA 1.225 46.312 45.100 -0.020 0.000 0.787 5213 G HN 0.442 nan 8.290 nan 0.000 0.571 5214 L N -0.619 120.494 121.223 -0.184 0.000 1.976 5214 L HA -0.179 4.159 4.340 -0.003 0.000 0.223 5214 L C 2.584 179.440 176.870 -0.023 0.000 1.081 5214 L CA 1.953 56.664 54.840 -0.216 0.000 0.784 5214 L CB -0.715 41.202 42.059 -0.237 0.000 0.896 5214 L HN 0.296 nan 8.230 nan 0.000 0.438 5215 F N 0.168 120.048 119.950 -0.117 0.000 2.063 5215 F HA -0.366 4.159 4.527 -0.003 0.000 0.298 5215 F C 2.437 178.131 175.800 -0.176 0.000 1.105 5215 F CA 2.002 59.926 58.000 -0.127 0.000 1.215 5215 F CB -0.145 38.799 39.000 -0.093 0.000 0.972 5215 F HN 0.166 nan 8.300 nan 0.000 0.483 5216 H N -0.372 118.837 119.070 0.233 0.000 2.551 5216 H HA 0.114 4.668 4.556 -0.003 0.000 0.266 5216 H C 1.819 177.133 175.328 -0.024 0.000 0.977 5216 H CA 1.041 57.133 56.048 0.073 0.000 1.163 5216 H CB -0.028 29.615 29.762 -0.197 0.000 1.381 5216 H HN 0.337 nan 8.280 nan 0.000 0.581 5217 I N -0.438 120.152 120.570 0.035 0.000 2.852 5217 I HA -0.087 4.081 4.170 -0.003 0.000 0.264 5217 I C 1.263 177.366 176.117 -0.024 0.000 1.179 5217 I CA 0.563 61.847 61.300 -0.026 0.000 1.480 5217 I CB 0.225 38.175 38.000 -0.083 0.000 1.111 5217 I HN 0.200 nan 8.210 nan 0.000 0.441 5218 L N -0.301 120.900 121.223 -0.036 0.000 2.428 5218 L HA 0.156 4.494 4.340 -0.003 0.000 0.190 5218 L C 1.050 177.885 176.870 -0.058 0.000 1.255 5218 L CA 0.069 54.867 54.840 -0.070 0.000 0.848 5218 L CB -0.644 41.336 42.059 -0.133 0.000 1.088 5218 L HN -0.176 nan 8.230 nan 0.000 0.500 5219 V N 1.112 120.962 119.914 -0.107 0.000 3.098 5219 V HA -0.139 3.979 4.120 -0.003 0.000 0.298 5219 V C 0.352 176.464 176.094 0.030 0.000 1.200 5219 V CA 0.512 62.764 62.300 -0.079 0.000 1.321 5219 V CB 0.077 31.834 31.823 -0.110 0.000 0.947 5219 V HN 0.342 nan 8.190 nan 0.000 0.513 5220 R N 4.798 125.325 120.500 0.045 0.000 2.803 5220 R HA 0.569 4.907 4.340 -0.003 0.000 0.276 5220 R C -2.646 173.727 176.300 0.121 0.000 0.978 5220 R CA -2.211 53.943 56.100 0.091 0.000 0.939 5220 R CB 1.510 31.852 30.300 0.069 0.000 1.179 5220 R HN 0.568 nan 8.270 nan 0.000 0.472 5221 P HA 0.277 nan 4.420 nan 0.000 0.276 5221 P C -2.520 174.883 177.300 0.173 0.000 1.235 5221 P CA -1.207 62.005 63.100 0.187 0.000 0.772 5221 P CB 0.261 32.095 31.700 0.223 0.000 0.871 5222 P HA -0.021 nan 4.420 nan 0.000 0.264 5222 P C 1.196 178.560 177.300 0.107 0.000 1.179 5222 P CA 0.204 63.360 63.100 0.094 0.000 0.763 5222 P CB 0.335 32.083 31.700 0.080 0.000 0.806 5223 Q N 2.084 121.915 119.800 0.052 0.000 2.439 5223 Q HA -0.157 4.181 4.340 -0.003 0.000 0.211 5223 Q C 1.689 177.718 176.000 0.048 0.000 0.978 5223 Q CA 1.146 56.960 55.803 0.019 0.000 0.897 5223 Q CB -0.043 28.675 28.738 -0.032 0.000 0.956 5223 Q HN 0.240 nan 8.270 nan 0.000 0.483 5224 R N -0.458 120.076 120.500 0.056 0.000 2.200 5224 R HA 0.026 4.363 4.340 -0.003 0.000 0.208 5224 R C 1.666 178.009 176.300 0.073 0.000 1.033 5224 R CA 0.639 56.770 56.100 0.052 0.000 1.000 5224 R CB -0.055 30.269 30.300 0.040 0.000 0.906 5224 R HN 0.160 nan 8.270 nan 0.000 0.462 5225 L N -1.889 119.395 121.223 0.101 0.000 2.185 5225 L HA 0.100 4.438 4.340 -0.003 0.000 0.198 5225 L C 1.904 178.865 176.870 0.152 0.000 1.079 5225 L CA 1.028 55.931 54.840 0.106 0.000 0.780 5225 L CB -0.907 41.213 42.059 0.102 0.000 0.955 5225 L HN 0.105 nan 8.230 nan 0.000 0.462 5226 Y N 0.533 120.850 120.300 0.030 0.000 2.425 5226 Y HA -0.297 4.251 4.550 -0.003 0.000 0.285 5226 Y C 2.116 178.024 175.900 0.014 0.000 1.170 5226 Y CA 0.990 59.106 58.100 0.026 0.000 1.304 5226 Y CB 0.239 38.718 38.460 0.030 0.000 0.972 5226 Y HN 0.082 nan 8.280 nan 0.000 0.558 5227 K N -0.692 119.846 120.400 0.229 0.000 2.242 5227 K HA 0.090 4.408 4.320 -0.003 0.000 0.200 5227 K C 2.086 178.738 176.600 0.087 0.000 1.050 5227 K CA 0.831 57.197 56.287 0.132 0.000 0.981 5227 K CB -0.070 32.466 32.500 0.061 0.000 0.795 5227 K HN 0.336 nan 8.250 nan 0.000 0.477 5228 A N 1.422 124.288 122.820 0.077 0.000 1.843 5228 A HA 0.030 4.348 4.320 -0.003 0.000 0.213 5228 A C 1.820 179.428 177.584 0.040 0.000 1.202 5228 A CA 0.698 52.763 52.037 0.047 0.000 0.607 5228 A CB -0.569 18.458 19.000 0.044 0.000 0.847 5228 A HN 0.155 nan 8.150 nan 0.000 0.445 5229 L N 0.861 122.106 121.223 0.036 0.000 2.713 5229 L HA 0.001 4.339 4.340 -0.003 0.000 0.245 5229 L C 0.299 177.155 176.870 -0.023 0.000 1.169 5229 L CA -0.241 54.599 54.840 0.001 0.000 0.962 5229 L CB -0.465 41.584 42.059 -0.017 0.000 1.161 5229 L HN 0.390 nan 8.230 nan 0.000 0.427 5230 R N -1.469 119.042 120.500 0.019 0.000 3.490 5230 R HA -0.237 4.100 4.340 -0.003 0.000 0.243 5230 R C 0.296 176.564 176.300 -0.053 0.000 1.017 5230 R CA 0.703 56.820 56.100 0.029 0.000 0.680 5230 R CB -2.419 27.886 30.300 0.008 0.000 1.056 5230 R HN 0.462 nan 8.270 nan 0.000 0.484 5231 M N -0.285 119.190 119.600 -0.209 0.000 2.207 5231 M HA 0.004 4.482 4.480 -0.003 0.000 0.296 5231 M C 1.832 177.887 176.300 -0.408 0.000 1.012 5231 M CA 2.079 57.113 55.300 -0.443 0.000 1.088 5231 M CB 0.109 32.224 32.600 -0.809 0.000 1.407 5231 M HN 0.462 nan 8.290 nan 0.000 0.425 5232 G N 0.604 109.235 108.800 -0.281 0.000 2.358 5232 G HA2 -0.287 3.671 3.960 -0.003 0.000 0.224 5232 G HA3 -0.287 3.671 3.960 -0.003 0.000 0.224 5232 G C 0.222 175.108 174.900 -0.022 0.000 1.073 5232 G CA 0.203 45.269 45.100 -0.057 0.000 0.635 5232 G HN 0.828 nan 8.290 nan 0.000 0.509 5233 N N 1.140 119.814 118.700 -0.043 0.000 2.602 5233 N HA 0.338 5.076 4.740 -0.003 0.000 0.238 5233 N C 1.707 177.173 175.510 -0.073 0.000 1.084 5233 N CA -0.067 52.957 53.050 -0.044 0.000 0.952 5233 N CB 0.320 38.782 38.487 -0.042 0.000 1.244 5233 N HN 0.321 nan 8.380 nan 0.000 0.512 5234 I N 3.705 124.235 120.570 -0.065 0.000 2.227 5234 I HA -0.335 3.833 4.170 -0.003 0.000 0.250 5234 I C 2.069 178.126 176.117 -0.101 0.000 1.087 5234 I CA 1.732 62.987 61.300 -0.074 0.000 1.352 5234 I CB -0.259 37.707 38.000 -0.056 0.000 1.043 5234 I HN 0.646 nan 8.210 nan 0.000 0.425 5235 E N -0.388 119.741 120.200 -0.118 0.000 2.253 5235 E HA -0.304 4.044 4.350 -0.003 0.000 0.202 5235 E C 2.186 178.694 176.600 -0.153 0.000 1.014 5235 E CA 2.000 58.300 56.400 -0.166 0.000 0.823 5235 E CB -0.578 29.015 29.700 -0.178 0.000 0.736 5235 E HN 0.604 nan 8.360 nan 0.000 0.478 5236 T N -1.701 112.782 114.554 -0.118 0.000 2.985 5236 T HA -0.003 4.345 4.350 -0.003 0.000 0.266 5236 T C 1.577 176.223 174.700 -0.091 0.000 1.076 5236 T CA 0.983 63.024 62.100 -0.098 0.000 1.135 5236 T CB -0.080 68.733 68.868 -0.092 0.000 0.890 5236 T HN 0.086 nan 8.240 nan 0.000 0.480 5237 V N 1.750 121.602 119.914 -0.103 0.000 2.759 5237 V HA -0.012 4.106 4.120 -0.003 0.000 0.256 5237 V C 2.403 178.449 176.094 -0.080 0.000 1.080 5237 V CA 1.021 63.257 62.300 -0.106 0.000 1.101 5237 V CB -0.598 31.166 31.823 -0.100 0.000 0.698 5237 V HN 0.403 nan 8.190 nan 0.000 0.477 5238 L N 0.156 121.332 121.223 -0.079 0.000 2.109 5238 L HA -0.018 4.320 4.340 -0.003 0.000 0.207 5238 L C 2.363 179.258 176.870 0.042 0.000 1.086 5238 L CA 1.930 56.738 54.840 -0.052 0.000 0.760 5238 L CB -0.531 41.427 42.059 -0.169 0.000 0.910 5238 L HN 0.269 nan 8.230 nan 0.000 0.437 5239 S N -1.433 114.296 115.700 0.048 0.000 2.446 5239 S HA -0.013 4.455 4.470 -0.003 0.000 0.225 5239 S C 1.806 176.537 174.600 0.218 0.000 1.016 5239 S CA 0.910 59.209 58.200 0.166 0.000 0.943 5239 S CB -0.057 63.160 63.200 0.029 0.000 0.786 5239 S HN 0.440 nan 8.310 nan 0.000 0.508 5240 S N 0.898 116.636 115.700 0.064 0.000 2.555 5240 S HA 0.100 4.568 4.470 -0.003 0.000 0.230 5240 S C 1.803 176.377 174.600 -0.044 0.000 0.978 5240 S CA 0.569 58.767 58.200 -0.003 0.000 0.934 5240 S CB -0.013 63.134 63.200 -0.088 0.000 0.766 5240 S HN 0.477 nan 8.310 nan 0.000 0.533 5241 S N 0.495 116.193 115.700 -0.002 0.000 2.891 5241 S HA 0.282 4.749 4.470 -0.003 0.000 0.247 5241 S C 1.589 176.217 174.600 0.048 0.000 1.063 5241 S CA -0.286 57.903 58.200 -0.018 0.000 0.857 5241 S CB -0.275 62.909 63.200 -0.026 0.000 0.800 5241 S HN 0.360 nan 8.310 nan 0.000 0.540 5242 I N 2.621 123.286 120.570 0.159 0.000 2.229 5242 I HA -0.297 3.870 4.170 -0.003 0.000 0.250 5242 I C 2.650 178.935 176.117 0.280 0.000 1.096 5242 I CA 1.354 62.846 61.300 0.320 0.000 1.358 5242 I CB -0.465 37.749 38.000 0.356 0.000 1.047 5242 I HN 0.428 nan 8.210 nan 0.000 0.422 5243 A N 0.684 123.536 122.820 0.053 0.000 1.851 5243 A HA -0.253 4.065 4.320 -0.003 0.000 0.216 5243 A C 2.551 179.653 177.584 -0.803 0.000 1.195 5243 A CA 2.303 54.050 52.037 -0.484 0.000 0.622 5243 A CB -0.993 17.654 19.000 -0.588 0.000 0.831 5243 A HN 0.463 nan 8.150 nan 0.000 0.444 5244 A N -0.701 121.912 122.820 -0.345 0.000 1.877 5244 A HA 0.023 4.340 4.320 -0.003 0.000 0.216 5244 A C 2.243 179.691 177.584 -0.226 0.000 1.186 5244 A CA 1.863 53.756 52.037 -0.239 0.000 0.620 5244 A CB -1.169 17.747 19.000 -0.140 0.000 0.822 5244 A HN 0.481 nan 8.150 nan 0.000 0.443 5245 V N 0.393 120.245 119.914 -0.105 0.000 2.231 5245 V HA -0.367 3.751 4.120 -0.003 0.000 0.250 5245 V C 2.508 178.634 176.094 0.053 0.000 1.058 5245 V CA 2.594 64.880 62.300 -0.023 0.000 1.022 5245 V CB -1.544 30.327 31.823 0.079 0.000 0.640 5245 V HN 0.792 nan 8.190 nan 0.000 0.445 5246 F N 1.114 121.186 119.950 0.204 0.000 2.161 5246 F HA -0.194 4.332 4.527 -0.003 0.000 0.300 5246 F C 2.137 178.198 175.800 0.435 0.000 1.089 5246 F CA 1.596 59.766 58.000 0.285 0.000 1.282 5246 F CB -1.408 37.889 39.000 0.496 0.000 1.010 5246 F HN 0.207 nan 8.300 nan 0.000 0.485 5247 F N 2.349 122.336 119.950 0.061 0.000 2.146 5247 F HA 0.109 4.634 4.527 -0.004 0.000 0.298 5247 F C 2.253 178.183 175.800 0.217 0.000 1.096 5247 F CA 1.042 59.176 58.000 0.225 0.000 1.275 5247 F CB -1.323 37.587 39.000 -0.150 0.000 1.008 5247 F HN 0.104 nan 8.300 nan 0.000 0.480 5248 A N 1.081 123.762 122.820 -0.232 0.000 1.986 5248 A HA -0.088 4.230 4.320 -0.003 0.000 0.220 5248 A C 2.491 180.075 177.584 -0.001 0.000 1.171 5248 A CA 2.218 54.081 52.037 -0.290 0.000 0.640 5248 A CB -1.594 17.276 19.000 -0.218 0.000 0.811 5248 A HN 0.608 nan 8.150 nan 0.000 0.451 5249 A N -0.660 122.230 122.820 0.117 0.000 1.823 5249 A HA 0.012 4.330 4.320 -0.003 0.000 0.214 5249 A C 1.723 179.416 177.584 0.181 0.000 1.227 5249 A CA 1.534 53.633 52.037 0.104 0.000 0.616 5249 A CB -1.208 17.793 19.000 0.001 0.000 0.874 5249 A HN 0.486 nan 8.150 nan 0.000 0.455 5250 F N 0.079 120.213 119.950 0.306 0.000 2.192 5250 F HA -0.267 4.257 4.527 -0.004 0.000 0.300 5250 F C 2.226 178.207 175.800 0.301 0.000 1.051 5250 F CA 1.745 59.928 58.000 0.306 0.000 1.309 5250 F CB -0.660 38.548 39.000 0.345 0.000 1.056 5250 F HN 0.037 nan 8.300 nan 0.000 0.505 5251 V N -1.743 118.438 119.914 0.445 0.000 2.446 5251 V HA -0.160 3.958 4.120 -0.003 0.000 0.244 5251 V C 2.150 178.391 176.094 0.245 0.000 1.039 5251 V CA 1.234 63.734 62.300 0.333 0.000 1.045 5251 V CB -0.737 31.225 31.823 0.232 0.000 0.681 5251 V HN 0.219 nan 8.190 nan 0.000 0.459 5252 V N 0.568 120.602 119.914 0.200 0.000 2.626 5252 V HA -0.162 3.956 4.120 -0.003 0.000 0.252 5252 V C 2.543 178.823 176.094 0.310 0.000 1.067 5252 V CA 1.949 64.372 62.300 0.205 0.000 1.081 5252 V CB -0.203 31.723 31.823 0.172 0.000 0.686 5252 V HN 0.505 nan 8.190 nan 0.000 0.468 5253 A N -0.417 122.587 122.820 0.306 0.000 1.968 5253 A HA 0.105 4.423 4.320 -0.003 0.000 0.217 5253 A C 2.217 180.001 177.584 0.334 0.000 1.169 5253 A CA 1.547 53.777 52.037 0.322 0.000 0.638 5253 A CB -0.917 18.209 19.000 0.210 0.000 0.812 5253 A HN 0.579 nan 8.150 nan 0.000 0.446 5254 G N -0.164 108.857 108.800 0.368 0.000 2.499 5254 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.213 5254 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.213 5254 G C 1.779 176.946 174.900 0.444 0.000 1.230 5254 G CA 2.009 47.398 45.100 0.483 0.000 0.813 5254 G HN 0.657 nan 8.290 nan 0.000 0.542 5255 T N -0.581 114.149 114.554 0.292 0.000 2.714 5255 T HA -0.325 4.023 4.350 -0.003 0.000 0.268 5255 T C 2.255 177.040 174.700 0.142 0.000 1.036 5255 T CA 2.209 64.414 62.100 0.175 0.000 1.148 5255 T CB -0.337 68.569 68.868 0.062 0.000 0.856 5255 T HN 0.132 nan 8.240 nan 0.000 0.462 5256 M N 0.336 120.029 119.600 0.154 0.000 2.074 5256 M HA 0.131 4.609 4.480 -0.003 0.000 0.259 5256 M C 2.109 178.543 176.300 0.224 0.000 1.079 5256 M CA 1.256 56.620 55.300 0.107 0.000 1.119 5256 M CB -1.299 31.420 32.600 0.198 0.000 1.297 5256 M HN 0.535 nan 8.290 nan 0.000 0.416 5257 W N 0.153 121.475 121.300 0.037 0.000 2.309 5257 W HA -0.244 4.415 4.660 -0.003 0.000 0.326 5257 W C 0.250 176.767 176.519 -0.004 0.000 1.222 5257 W CA 1.217 58.514 57.345 -0.080 0.000 1.237 5257 W CB -0.802 28.498 29.460 -0.266 0.000 1.180 5257 W HN 0.123 nan 8.180 nan 0.000 0.456 5258 Y N 0.477 121.034 120.300 0.429 0.000 2.394 5258 Y HA 0.229 4.777 4.550 -0.003 0.000 0.351 5258 Y C 1.352 177.391 175.900 0.233 0.000 1.272 5258 Y CA 0.254 58.559 58.100 0.341 0.000 1.508 5258 Y CB -0.715 37.930 38.460 0.307 0.000 1.369 5258 Y HN -0.051 nan 8.280 nan 0.000 0.639 5259 G N -0.187 108.897 108.800 0.473 0.000 2.684 5259 G HA2 0.395 4.353 3.960 -0.003 0.000 0.255 5259 G HA3 0.395 4.353 3.960 -0.003 0.000 0.255 5259 G C -0.684 174.492 174.900 0.459 0.000 1.219 5259 G CA 0.087 45.472 45.100 0.475 0.000 0.901 5259 G HN 0.624 nan 8.290 nan 0.000 0.548 5260 S N -2.301 113.640 115.700 0.401 0.000 2.715 5260 S HA 0.406 4.874 4.470 -0.003 0.000 0.290 5260 S C 0.512 175.199 174.600 0.145 0.000 1.008 5260 S CA 0.452 58.755 58.200 0.171 0.000 0.850 5260 S CB 0.482 63.693 63.200 0.018 0.000 1.059 5260 S HN 1.664 nan 8.310 nan 0.000 0.455 5261 A N 2.129 125.015 122.820 0.110 0.000 2.235 5261 A HA 0.168 4.486 4.320 -0.003 0.000 0.208 5261 A C 1.925 179.512 177.584 0.006 0.000 1.172 5261 A CA 1.676 53.756 52.037 0.071 0.000 0.786 5261 A CB -0.875 18.159 19.000 0.056 0.000 0.804 5261 A HN 1.321 nan 8.150 nan 0.000 0.479 5262 T N -1.748 112.779 114.554 -0.045 0.000 3.081 5262 T HA 0.060 4.408 4.350 -0.003 0.000 0.255 5262 T C 0.707 175.299 174.700 -0.180 0.000 1.113 5262 T CA 1.376 63.431 62.100 -0.075 0.000 1.082 5262 T CB -0.440 68.379 68.868 -0.080 0.000 0.939 5262 T HN 0.593 nan 8.240 nan 0.000 0.506 5263 T N 1.153 115.543 114.554 -0.273 0.000 3.103 5263 T HA 0.524 4.872 4.350 -0.003 0.000 0.352 5263 T C -2.936 171.536 174.700 -0.379 0.000 1.048 5263 T CA -1.627 60.068 62.100 -0.675 0.000 1.175 5263 T CB 1.906 70.335 68.868 -0.733 0.000 1.029 5263 T HN 0.021 nan 8.240 nan 0.000 0.498 5264 P HA 0.191 nan 4.420 nan 0.000 0.281 5264 P C 0.582 177.904 177.300 0.035 0.000 1.274 5264 P CA -0.425 62.708 63.100 0.056 0.000 0.794 5264 P CB 0.783 32.670 31.700 0.312 0.000 1.201 5265 I N -1.298 119.353 120.570 0.136 0.000 2.731 5265 I HA 0.003 4.171 4.170 -0.003 0.000 0.260 5265 I C 2.065 178.178 176.117 -0.006 0.000 1.138 5265 I CA 1.325 62.682 61.300 0.096 0.000 1.461 5265 I CB -1.418 36.720 38.000 0.231 0.000 1.128 5265 I HN 0.295 nan 8.210 nan 0.000 0.438 5266 E N 0.858 121.146 120.200 0.146 0.000 2.364 5266 E HA 0.183 4.531 4.350 -0.003 0.000 0.196 5266 E C 1.934 178.571 176.600 0.062 0.000 0.990 5266 E CA 0.272 56.759 56.400 0.144 0.000 0.886 5266 E CB -0.015 29.922 29.700 0.396 0.000 0.866 5266 E HN 0.366 nan 8.360 nan 0.000 0.493 5267 L N 0.179 121.393 121.223 -0.015 0.000 2.509 5267 L HA 0.179 4.517 4.340 -0.003 0.000 0.222 5267 L C -0.217 176.756 176.870 0.172 0.000 1.123 5267 L CA 0.270 55.089 54.840 -0.034 0.000 0.856 5267 L CB 0.304 42.259 42.059 -0.172 0.000 0.985 5267 L HN 0.024 nan 8.230 nan 0.000 0.456 5268 F N -1.023 118.768 119.950 -0.265 0.000 2.599 5268 F HA 0.511 5.035 4.527 -0.004 0.000 0.311 5268 F C 0.909 176.389 175.800 -0.533 0.000 1.076 5268 F CA -1.569 56.276 58.000 -0.258 0.000 0.937 5268 F CB 0.741 39.614 39.000 -0.211 0.000 1.282 5268 F HN -0.256 nan 8.300 nan 0.000 0.460 5269 G N 2.163 110.791 108.800 -0.286 0.000 2.287 5269 G HA2 0.266 4.224 3.960 -0.003 0.000 0.235 5269 G HA3 0.266 4.224 3.960 -0.003 0.000 0.235 5269 G C -2.702 171.828 174.900 -0.616 0.000 1.258 5269 G CA -0.646 44.081 45.100 -0.623 0.000 0.884 5269 G HN 0.282 nan 8.290 nan 0.000 0.518 5270 P HA 0.050 nan 4.420 nan 0.000 0.266 5270 P C 0.706 177.848 177.300 -0.263 0.000 1.193 5270 P CA 0.131 62.975 63.100 -0.426 0.000 0.770 5270 P CB 0.543 31.967 31.700 -0.460 0.000 0.836 5271 T N 2.221 116.694 114.554 -0.136 0.000 2.928 5271 T HA 0.012 4.360 4.350 -0.003 0.000 0.305 5271 T C 1.602 176.117 174.700 -0.308 0.000 1.035 5271 T CA -0.165 61.783 62.100 -0.254 0.000 1.145 5271 T CB 0.175 68.984 68.868 -0.098 0.000 0.963 5271 T HN 0.430 nan 8.240 nan 0.000 0.545 5272 R N 3.450 123.530 120.500 -0.700 0.000 2.170 5272 R HA -0.151 4.187 4.340 -0.003 0.000 0.242 5272 R C 1.079 177.176 176.300 -0.338 0.000 1.145 5272 R CA 2.000 57.728 56.100 -0.620 0.000 0.984 5272 R CB -0.683 29.026 30.300 -0.985 0.000 0.869 5272 R HN 0.719 nan 8.270 nan 0.000 0.455 5273 Y N 0.811 121.066 120.300 -0.075 0.000 2.457 5273 Y HA 0.086 4.634 4.550 -0.004 0.000 0.292 5273 Y C 2.189 178.156 175.900 0.113 0.000 1.125 5273 Y CA 0.422 58.552 58.100 0.051 0.000 1.254 5273 Y CB -0.355 38.135 38.460 0.050 0.000 1.012 5273 Y HN 0.163 nan 8.280 nan 0.000 0.555 5274 Q N -0.797 119.156 119.800 0.254 0.000 2.234 5274 Q HA -0.221 4.117 4.340 -0.003 0.000 0.206 5274 Q C 1.921 178.141 176.000 0.365 0.000 0.980 5274 Q CA 1.514 57.497 55.803 0.300 0.000 0.869 5274 Q CB -0.301 28.678 28.738 0.402 0.000 0.912 5274 Q HN 0.736 nan 8.270 nan 0.000 0.436 5275 W N 0.685 122.097 121.300 0.188 0.000 2.872 5275 W HA 0.017 4.675 4.660 -0.004 0.000 0.266 5275 W C 0.094 176.700 176.519 0.145 0.000 1.276 5275 W CA 0.753 58.207 57.345 0.182 0.000 1.471 5275 W CB 0.185 29.709 29.460 0.105 0.000 1.071 5275 W HN 0.109 nan 8.180 nan 0.000 0.619 5276 D N 1.545 122.021 120.400 0.128 0.000 2.087 5276 D HA -0.164 4.473 4.640 -0.003 0.000 0.192 5276 D C 1.176 177.430 176.300 -0.077 0.000 0.993 5276 D CA 2.364 56.401 54.000 0.063 0.000 0.828 5276 D CB -0.187 40.776 40.800 0.271 0.000 0.968 5276 D HN -0.028 nan 8.370 nan 0.000 0.448 5277 S N -0.576 115.127 115.700 0.005 0.000 2.499 5277 S HA 0.316 4.784 4.470 -0.003 0.000 0.279 5277 S C 0.306 174.891 174.600 -0.024 0.000 1.219 5277 S CA -0.868 57.318 58.200 -0.022 0.000 1.062 5277 S CB 1.842 65.041 63.200 -0.002 0.000 0.978 5277 S HN -0.038 nan 8.310 nan 0.000 0.489 5278 S N 3.564 119.226 115.700 -0.063 0.000 3.269 5278 S HA -0.040 4.428 4.470 -0.003 0.000 0.252 5278 S C 0.802 175.471 174.600 0.115 0.000 1.087 5278 S CA -0.282 57.908 58.200 -0.016 0.000 1.242 5278 S CB -1.242 61.953 63.200 -0.008 0.000 1.044 5278 S HN 0.719 nan 8.310 nan 0.000 0.482 5279 Y N 2.214 122.466 120.300 -0.079 0.000 2.030 5279 Y HA -0.295 4.253 4.550 -0.004 0.000 0.272 5279 Y C 1.314 177.108 175.900 -0.178 0.000 1.185 5279 Y CA 1.272 59.253 58.100 -0.198 0.000 1.120 5279 Y CB -0.944 37.284 38.460 -0.388 0.000 0.955 5279 Y HN 0.433 nan 8.280 nan 0.000 0.495 5280 F N 0.780 120.759 119.950 0.049 0.000 2.269 5280 F HA -0.193 4.331 4.527 -0.004 0.000 0.301 5280 F C 2.692 178.540 175.800 0.079 0.000 1.082 5280 F CA 1.701 59.682 58.000 -0.031 0.000 1.360 5280 F CB -0.774 38.278 39.000 0.086 0.000 1.041 5280 F HN 0.353 nan 8.300 nan 0.000 0.512 5281 Q N 0.494 120.462 119.800 0.281 0.000 2.212 5281 Q HA -0.176 4.162 4.340 -0.003 0.000 0.199 5281 Q C 2.101 178.192 176.000 0.151 0.000 0.950 5281 Q CA 1.089 57.035 55.803 0.239 0.000 0.863 5281 Q CB -0.733 28.160 28.738 0.259 0.000 0.944 5281 Q HN 0.595 nan 8.270 nan 0.000 0.465 5282 Q N 1.110 120.990 119.800 0.134 0.000 2.123 5282 Q HA -0.190 4.148 4.340 -0.003 0.000 0.199 5282 Q C 1.784 177.830 176.000 0.076 0.000 0.966 5282 Q CA 1.468 57.329 55.803 0.097 0.000 0.845 5282 Q CB -0.120 28.673 28.738 0.092 0.000 0.907 5282 Q HN 0.558 nan 8.270 nan 0.000 0.439 5283 E N -0.060 120.203 120.200 0.104 0.000 2.511 5283 E HA -0.036 4.312 4.350 -0.003 0.000 0.196 5283 E C 1.554 178.174 176.600 0.034 0.000 1.066 5283 E CA 0.140 56.590 56.400 0.083 0.000 0.871 5283 E CB 0.193 29.959 29.700 0.111 0.000 0.863 5283 E HN 0.526 nan 8.360 nan 0.000 0.520 5284 I N 0.163 120.751 120.570 0.030 0.000 2.681 5284 I HA -0.144 4.024 4.170 -0.003 0.000 0.247 5284 I C 2.146 178.189 176.117 -0.122 0.000 1.091 5284 I CA 0.017 61.302 61.300 -0.025 0.000 1.442 5284 I CB -0.203 37.814 38.000 0.030 0.000 1.219 5284 I HN 0.036 nan 8.210 nan 0.000 0.451 5285 N N 1.388 120.030 118.700 -0.098 0.000 2.132 5285 N HA -0.265 4.473 4.740 -0.003 0.000 0.191 5285 N C 1.913 177.339 175.510 -0.141 0.000 1.015 5285 N CA 1.412 54.368 53.050 -0.155 0.000 0.864 5285 N CB -0.341 38.120 38.487 -0.042 0.000 1.006 5285 N HN 0.315 nan 8.380 nan 0.000 0.430 5286 R N 1.254 121.706 120.500 -0.080 0.000 2.083 5286 R HA -0.088 4.250 4.340 -0.003 0.000 0.237 5286 R C 2.232 178.470 176.300 -0.103 0.000 1.137 5286 R CA 1.366 57.424 56.100 -0.070 0.000 0.951 5286 R CB -0.193 30.084 30.300 -0.039 0.000 0.851 5286 R HN 0.134 nan 8.270 nan 0.000 0.434 5287 R N -0.040 120.388 120.500 -0.119 0.000 2.115 5287 R HA -0.045 4.293 4.340 -0.003 0.000 0.226 5287 R C 2.035 178.220 176.300 -0.192 0.000 1.100 5287 R CA 1.086 57.107 56.100 -0.131 0.000 0.980 5287 R CB -0.018 30.218 30.300 -0.107 0.000 0.875 5287 R HN 0.228 nan 8.270 nan 0.000 0.445 5288 V N 0.399 120.131 119.914 -0.303 0.000 3.461 5288 V HA -0.056 4.062 4.120 -0.003 0.000 0.267 5288 V C 1.512 177.405 176.094 -0.334 0.000 1.186 5288 V CA 1.102 63.130 62.300 -0.453 0.000 1.154 5288 V CB 0.395 31.656 31.823 -0.936 0.000 0.802 5288 V HN 0.303 nan 8.190 nan 0.000 0.474 5289 Q N -0.309 119.356 119.800 -0.225 0.000 2.226 5289 Q HA 0.204 4.542 4.340 -0.003 0.000 0.199 5289 Q C 2.299 178.238 176.000 -0.102 0.000 0.945 5289 Q CA 1.433 57.151 55.803 -0.142 0.000 0.861 5289 Q CB -0.235 28.444 28.738 -0.099 0.000 0.953 5289 Q HN 0.644 nan 8.270 nan 0.000 0.490 5290 A N 0.719 123.479 122.820 -0.099 0.000 1.845 5290 A HA -0.166 4.152 4.320 -0.003 0.000 0.215 5290 A C 2.372 179.912 177.584 -0.072 0.000 1.195 5290 A CA 2.088 54.081 52.037 -0.074 0.000 0.616 5290 A CB -0.798 18.159 19.000 -0.072 0.000 0.832 5290 A HN 0.353 nan 8.150 nan 0.000 0.443 5291 S N -0.387 115.259 115.700 -0.090 0.000 2.420 5291 S HA -0.153 4.315 4.470 -0.003 0.000 0.237 5291 S C 1.814 176.376 174.600 -0.063 0.000 1.023 5291 S CA 1.435 59.590 58.200 -0.075 0.000 0.991 5291 S CB -0.449 62.695 63.200 -0.094 0.000 0.792 5291 S HN 0.493 nan 8.310 nan 0.000 0.488 5292 L N 0.858 122.031 121.223 -0.083 0.000 2.034 5292 L HA 0.077 4.415 4.340 -0.003 0.000 0.203 5292 L C 2.147 178.999 176.870 -0.030 0.000 1.074 5292 L CA 1.141 55.947 54.840 -0.057 0.000 0.748 5292 L CB -0.497 41.515 42.059 -0.079 0.000 0.905 5292 L HN 0.348 nan 8.230 nan 0.000 0.439 5293 A N -1.608 121.191 122.820 -0.035 0.000 2.265 5293 A HA -0.042 4.276 4.320 -0.003 0.000 0.213 5293 A C 1.716 179.288 177.584 -0.020 0.000 1.255 5293 A CA 0.931 52.955 52.037 -0.021 0.000 0.862 5293 A CB -0.387 18.600 19.000 -0.022 0.000 0.852 5293 A HN 0.381 nan 8.150 nan 0.000 0.484 5294 S N -0.499 115.188 115.700 -0.022 0.000 2.663 5294 S HA 0.416 4.884 4.470 -0.003 0.000 0.243 5294 S C 0.848 175.442 174.600 -0.009 0.000 1.009 5294 S CA 0.693 58.882 58.200 -0.018 0.000 0.988 5294 S CB -0.621 62.564 63.200 -0.026 0.000 0.896 5294 S HN 1.794 nan 8.310 nan 0.000 0.502 5295 G N 1.221 110.019 108.800 -0.004 0.000 2.401 5295 G HA2 0.111 4.069 3.960 -0.003 0.000 0.283 5295 G HA3 0.111 4.069 3.960 -0.003 0.000 0.283 5295 G C -0.139 174.767 174.900 0.010 0.000 1.117 5295 G CA 0.023 45.126 45.100 0.005 0.000 1.051 5295 G HN 1.153 nan 8.290 nan 0.000 0.510 5296 A N 0.000 122.828 122.820 0.014 0.000 2.515 5296 A HA 0.943 5.261 4.320 -0.003 0.000 0.298 5296 A C 0.338 177.951 177.584 0.048 0.000 1.059 5296 A CA 0.203 52.256 52.037 0.026 0.000 0.698 5296 A CB 1.090 20.099 19.000 0.015 0.000 1.289 5296 A HN 1.237 nan 8.150 nan 0.000 0.404 5297 T N 2.100 116.696 114.554 0.070 0.000 2.940 5297 T HA 0.176 4.524 4.350 -0.003 0.000 0.309 5297 T C 1.467 176.259 174.700 0.154 0.000 1.056 5297 T CA -0.057 62.107 62.100 0.107 0.000 1.137 5297 T CB 0.420 69.356 68.868 0.113 0.000 0.976 5297 T HN 0.872 nan 8.240 nan 0.000 0.547 5298 L N 2.219 123.560 121.223 0.197 0.000 2.189 5298 L HA -0.131 4.207 4.340 -0.003 0.000 0.214 5298 L C 2.131 179.280 176.870 0.465 0.000 1.097 5298 L CA 1.687 56.685 54.840 0.263 0.000 0.764 5298 L CB -0.894 41.291 42.059 0.211 0.000 0.900 5298 L HN 0.718 nan 8.230 nan 0.000 0.436 5299 E N -0.418 120.037 120.200 0.424 0.000 2.015 5299 E HA -0.225 4.123 4.350 -0.003 0.000 0.191 5299 E C 1.936 178.708 176.600 0.287 0.000 0.991 5299 E CA 1.507 58.135 56.400 0.380 0.000 0.802 5299 E CB -0.284 29.531 29.700 0.193 0.000 0.759 5299 E HN 0.641 nan 8.360 nan 0.000 0.447 5300 E N 0.978 121.289 120.200 0.185 0.000 2.209 5300 E HA -0.193 4.155 4.350 -0.003 0.000 0.196 5300 E C 2.022 178.698 176.600 0.127 0.000 0.993 5300 E CA 0.687 57.166 56.400 0.131 0.000 0.819 5300 E CB -0.150 29.599 29.700 0.082 0.000 0.745 5300 E HN 0.223 nan 8.360 nan 0.000 0.477 5301 A N 1.037 123.939 122.820 0.136 0.000 1.841 5301 A HA -0.189 4.129 4.320 -0.003 0.000 0.216 5301 A C 1.733 179.305 177.584 -0.020 0.000 1.199 5301 A CA 1.454 53.495 52.037 0.007 0.000 0.621 5301 A CB -1.022 17.946 19.000 -0.053 0.000 0.835 5301 A HN 0.353 nan 8.150 nan 0.000 0.445 5302 W N -0.072 121.312 121.300 0.140 0.000 2.476 5302 W HA 0.073 4.731 4.660 -0.004 0.000 0.281 5302 W C 2.530 179.180 176.519 0.219 0.000 1.230 5302 W CA 0.943 58.406 57.345 0.197 0.000 1.287 5302 W CB -0.436 29.231 29.460 0.345 0.000 1.108 5302 W HN 0.208 nan 8.180 nan 0.000 0.567 5303 S N 0.327 116.284 115.700 0.429 0.000 2.537 5303 S HA -0.068 4.400 4.470 -0.003 0.000 0.240 5303 S C 1.856 176.567 174.600 0.186 0.000 0.981 5303 S CA 1.003 59.383 58.200 0.301 0.000 0.948 5303 S CB -0.438 62.892 63.200 0.218 0.000 0.759 5303 S HN 0.283 nan 8.310 nan 0.000 0.531 5304 A N 1.406 124.312 122.820 0.142 0.000 1.903 5304 A HA 0.232 4.550 4.320 -0.003 0.000 0.213 5304 A C 0.885 178.489 177.584 0.034 0.000 1.185 5304 A CA 0.197 52.270 52.037 0.060 0.000 0.628 5304 A CB -0.352 18.651 19.000 0.006 0.000 0.830 5304 A HN 0.449 nan 8.150 nan 0.000 0.446 5305 I N 2.396 122.976 120.570 0.015 0.000 2.775 5305 I HA 0.051 4.219 4.170 -0.003 0.000 0.290 5305 I C -1.934 174.151 176.117 -0.053 0.000 1.203 5305 I CA -1.144 60.131 61.300 -0.042 0.000 1.433 5305 I CB 0.280 38.232 38.000 -0.081 0.000 1.354 5305 I HN 0.246 nan 8.210 nan 0.000 0.579 5306 P HA 0.122 nan 4.420 nan 0.000 0.280 5306 P C 0.273 177.525 177.300 -0.079 0.000 1.244 5306 P CA -0.310 62.770 63.100 -0.032 0.000 0.784 5306 P CB 1.307 33.007 31.700 0.001 0.000 0.913 5307 E N 2.823 123.006 120.200 -0.029 0.000 2.041 5307 E HA -0.279 4.069 4.350 -0.003 0.000 0.227 5307 E C 1.688 178.353 176.600 0.107 0.000 1.039 5307 E CA 1.827 58.236 56.400 0.016 0.000 0.904 5307 E CB -0.619 29.142 29.700 0.102 0.000 0.808 5307 E HN 0.543 nan 8.360 nan 0.000 0.510 5308 K N 0.338 120.838 120.400 0.167 0.000 2.127 5308 K HA -0.251 4.067 4.320 -0.003 0.000 0.212 5308 K C 2.266 179.010 176.600 0.240 0.000 1.050 5308 K CA 1.776 58.222 56.287 0.264 0.000 0.929 5308 K CB -0.332 32.263 32.500 0.159 0.000 0.715 5308 K HN 0.048 nan 8.250 nan 0.000 0.457 5309 L N 0.266 121.490 121.223 0.001 0.000 2.056 5309 L HA -0.048 4.290 4.340 -0.003 0.000 0.207 5309 L C 2.109 179.016 176.870 0.062 0.000 1.078 5309 L CA 2.073 56.858 54.840 -0.090 0.000 0.749 5309 L CB -0.863 41.141 42.059 -0.092 0.000 0.901 5309 L HN 0.229 nan 8.230 nan 0.000 0.433 5310 A N -0.530 122.291 122.820 0.003 0.000 1.851 5310 A HA -0.307 4.011 4.320 -0.003 0.000 0.216 5310 A C 2.415 180.253 177.584 0.422 0.000 1.195 5310 A CA 2.074 54.117 52.037 0.010 0.000 0.622 5310 A CB -1.491 17.082 19.000 -0.711 0.000 0.831 5310 A HN 0.564 nan 8.150 nan 0.000 0.444 5311 F N -0.948 119.270 119.950 0.447 0.000 2.082 5311 F HA -0.383 4.141 4.527 -0.004 0.000 0.298 5311 F C 2.257 178.192 175.800 0.225 0.000 1.091 5311 F CA 2.030 60.292 58.000 0.438 0.000 1.230 5311 F CB -0.259 38.971 39.000 0.382 0.000 0.983 5311 F HN 0.411 nan 8.300 nan 0.000 0.485 5312 Y N -0.790 119.546 120.300 0.060 0.000 2.256 5312 Y HA -0.281 4.267 4.550 -0.003 0.000 0.288 5312 Y C 1.452 177.227 175.900 -0.209 0.000 1.155 5312 Y CA 1.106 58.913 58.100 -0.488 0.000 1.203 5312 Y CB -0.375 37.070 38.460 -1.691 0.000 0.980 5312 Y HN -0.023 nan 8.280 nan 0.000 0.530 5313 D N -0.511 120.061 120.400 0.287 0.000 2.856 5313 D HA -0.050 4.588 4.640 -0.003 0.000 0.242 5313 D C -1.270 175.431 176.300 0.669 0.000 1.226 5313 D CA 0.036 54.366 54.000 0.550 0.000 0.855 5313 D CB -0.810 40.323 40.800 0.555 0.000 1.065 5313 D HN 0.185 nan 8.370 nan 0.000 0.462 5314 Y N 0.424 120.952 120.300 0.379 0.000 2.338 5314 Y HA 0.257 4.805 4.550 -0.003 0.000 0.328 5314 Y C 0.746 176.640 175.900 -0.010 0.000 0.965 5314 Y CA -1.240 57.017 58.100 0.262 0.000 1.208 5314 Y CB 0.531 39.076 38.460 0.141 0.000 1.132 5314 Y HN 0.021 nan 8.280 nan 0.000 0.469 5315 I N 4.006 124.144 120.570 -0.720 0.000 2.367 5315 I HA -0.242 3.926 4.170 -0.003 0.000 0.256 5315 I C 1.929 177.345 176.117 -1.168 0.000 1.132 5315 I CA 2.245 62.704 61.300 -1.400 0.000 1.397 5315 I CB -0.123 36.898 38.000 -1.632 0.000 1.074 5315 I HN 0.989 nan 8.210 nan 0.000 0.435 5316 G N 0.322 108.163 108.800 -1.598 0.000 2.615 5316 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.213 5316 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.213 5316 G C 1.114 175.862 174.900 -0.254 0.000 1.135 5316 G CA 0.612 45.091 45.100 -1.035 0.000 0.772 5316 G HN 0.481 nan 8.290 nan 0.000 0.542 5317 N N -0.126 118.452 118.700 -0.203 0.000 2.166 5317 N HA -0.018 4.720 4.740 -0.003 0.000 0.213 5317 N C 0.209 175.607 175.510 -0.186 0.000 1.222 5317 N CA -0.262 52.790 53.050 0.004 0.000 0.900 5317 N CB 0.137 38.718 38.487 0.158 0.000 1.055 5317 N HN 0.193 nan 8.380 nan 0.000 0.515 5318 N N 3.711 122.208 118.700 -0.339 0.000 2.399 5318 N HA 0.025 4.763 4.740 -0.003 0.000 0.284 5318 N C -1.748 173.559 175.510 -0.338 0.000 1.283 5318 N CA -1.086 51.753 53.050 -0.352 0.000 0.972 5318 N CB 1.082 39.238 38.487 -0.552 0.000 1.328 5318 N HN -0.051 nan 8.380 nan 0.000 0.486 5319 P HA -0.277 nan 4.420 nan 0.000 0.224 5319 P C 0.866 178.086 177.300 -0.134 0.000 1.154 5319 P CA 2.061 65.033 63.100 -0.213 0.000 0.868 5319 P CB 0.186 31.696 31.700 -0.316 0.000 0.782 5320 A N -0.287 122.439 122.820 -0.157 0.000 1.858 5320 A HA -0.233 4.085 4.320 -0.003 0.000 0.216 5320 A C 2.073 179.535 177.584 -0.203 0.000 1.190 5320 A CA 1.747 53.724 52.037 -0.101 0.000 0.617 5320 A CB -1.069 17.854 19.000 -0.129 0.000 0.827 5320 A HN 0.070 nan 8.150 nan 0.000 0.443 5321 K N 0.007 120.228 120.400 -0.298 0.000 2.259 5321 K HA -0.197 4.121 4.320 -0.003 0.000 0.206 5321 K C 1.496 177.986 176.600 -0.184 0.000 1.044 5321 K CA 0.863 56.948 56.287 -0.336 0.000 0.931 5321 K CB -1.111 30.963 32.500 -0.709 0.000 0.726 5321 K HN 0.535 nan 8.250 nan 0.000 0.467 5322 G N 0.338 109.032 108.800 -0.176 0.000 2.134 5322 G HA2 0.139 4.097 3.960 -0.003 0.000 0.524 5322 G HA3 0.139 4.097 3.960 -0.003 0.000 0.524 5322 G C 0.169 174.997 174.900 -0.120 0.000 1.387 5322 G CA 0.273 45.290 45.100 -0.139 0.000 1.102 5322 G HN 0.425 nan 8.290 nan 0.000 0.569 5323 G N -2.855 105.845 108.800 -0.166 0.000 2.752 5323 G HA2 0.482 4.440 3.960 -0.003 0.000 0.298 5323 G HA3 0.482 4.440 3.960 -0.003 0.000 0.298 5323 G C 0.241 175.060 174.900 -0.136 0.000 1.434 5323 G CA 0.009 45.045 45.100 -0.107 0.000 1.004 5323 G HN 0.886 nan 8.290 nan 0.000 0.560 5324 L N 1.438 122.582 121.223 -0.133 0.000 2.129 5324 L HA 0.135 4.472 4.340 -0.003 0.000 0.212 5324 L C 1.478 178.342 176.870 -0.010 0.000 1.087 5324 L CA 2.099 56.847 54.840 -0.153 0.000 0.757 5324 L CB -0.377 41.632 42.059 -0.083 0.000 0.896 5324 L HN 0.517 nan 8.230 nan 0.000 0.434 5325 F N -0.794 119.181 119.950 0.042 0.000 2.682 5325 F HA 0.303 4.829 4.527 -0.002 0.000 0.308 5325 F C 1.057 176.919 175.800 0.104 0.000 1.093 5325 F CA -0.394 57.658 58.000 0.087 0.000 1.244 5325 F CB -0.005 39.016 39.000 0.035 0.000 1.052 5325 F HN -0.183 nan 8.300 nan 0.000 0.573 5326 R N 1.227 121.862 120.500 0.224 0.000 4.045 5326 R HA -0.014 4.323 4.340 -0.003 0.000 0.174 5326 R C 1.618 178.050 176.300 0.220 0.000 1.805 5326 R CA 0.776 56.980 56.100 0.172 0.000 1.368 5326 R CB -1.084 29.279 30.300 0.104 0.000 1.362 5326 R HN 0.351 nan 8.270 nan 0.000 0.777 5327 T N -2.284 112.372 114.554 0.169 0.000 3.083 5327 T HA -0.267 4.081 4.350 -0.003 0.000 0.250 5327 T C 0.998 175.734 174.700 0.061 0.000 1.037 5327 T CA 1.421 63.574 62.100 0.089 0.000 1.182 5327 T CB -0.073 68.828 68.868 0.056 0.000 0.782 5327 T HN 0.575 nan 8.240 nan 0.000 0.533 5328 G N 0.804 109.677 108.800 0.122 0.000 2.975 5328 G HA2 0.636 4.594 3.960 -0.003 0.000 0.291 5328 G HA3 0.636 4.594 3.960 -0.003 0.000 0.291 5328 G C -3.179 171.813 174.900 0.154 0.000 1.334 5328 G CA -1.378 43.776 45.100 0.090 0.000 0.843 5328 G HN 0.190 nan 8.290 nan 0.000 0.548 5329 P HA 0.070 nan 4.420 nan 0.000 0.267 5329 P C 1.154 178.512 177.300 0.096 0.000 1.205 5329 P CA 0.118 63.285 63.100 0.113 0.000 0.765 5329 P CB 0.899 32.637 31.700 0.063 0.000 0.828 5330 M N 1.699 121.370 119.600 0.118 0.000 2.399 5330 M HA -0.293 4.185 4.480 -0.003 0.000 0.250 5330 M C 1.333 177.663 176.300 0.050 0.000 1.113 5330 M CA 1.673 57.030 55.300 0.096 0.000 1.023 5330 M CB -0.822 31.850 32.600 0.120 0.000 1.376 5330 M HN 0.380 nan 8.290 nan 0.000 0.419 5331 N N 0.327 119.044 118.700 0.029 0.000 2.216 5331 N HA -0.061 4.677 4.740 -0.003 0.000 0.183 5331 N C 1.068 176.570 175.510 -0.014 0.000 1.017 5331 N CA 1.002 54.057 53.050 0.009 0.000 0.861 5331 N CB -0.128 38.357 38.487 -0.004 0.000 0.986 5331 N HN 0.331 nan 8.380 nan 0.000 0.428 5332 K N 0.763 121.157 120.400 -0.010 0.000 3.165 5332 K HA 0.118 4.436 4.320 -0.003 0.000 0.270 5332 K C 0.551 177.119 176.600 -0.053 0.000 1.111 5332 K CA -0.283 55.987 56.287 -0.028 0.000 1.216 5332 K CB -0.325 32.168 32.500 -0.012 0.000 1.229 5332 K HN 0.156 nan 8.250 nan 0.000 0.435 5333 G N 0.396 109.145 108.800 -0.084 0.000 2.543 5333 G HA2 -0.072 3.886 3.960 -0.003 0.000 0.202 5333 G HA3 -0.072 3.886 3.960 -0.003 0.000 0.202 5333 G C 0.344 175.075 174.900 -0.282 0.000 1.897 5333 G CA -0.145 44.864 45.100 -0.151 0.000 0.726 5333 G HN 0.357 nan 8.290 nan 0.000 0.804 5334 D N 0.387 120.571 120.400 -0.358 0.000 2.347 5334 D HA 0.359 4.997 4.640 -0.003 0.000 0.215 5334 D C 1.420 177.367 176.300 -0.588 0.000 0.976 5334 D CA 1.006 54.599 54.000 -0.678 0.000 0.884 5334 D CB 0.143 40.373 40.800 -0.951 0.000 0.915 5334 D HN 0.976 nan 8.370 nan 0.000 0.526 5335 G N -0.068 108.597 108.800 -0.225 0.000 2.447 5335 G HA2 -0.144 3.814 3.960 -0.003 0.000 0.220 5335 G HA3 -0.144 3.814 3.960 -0.003 0.000 0.220 5335 G C -1.122 173.861 174.900 0.138 0.000 1.261 5335 G CA -0.591 44.499 45.100 -0.016 0.000 1.000 5335 G HN 0.182 nan 8.290 nan 0.000 0.515 5336 I N 2.066 122.732 120.570 0.160 0.000 2.312 5336 I HA 0.494 4.662 4.170 -0.003 0.000 0.291 5336 I C 1.219 177.437 176.117 0.169 0.000 1.031 5336 I CA -0.197 61.182 61.300 0.132 0.000 1.293 5336 I CB 1.281 39.301 38.000 0.034 0.000 1.403 5336 I HN 0.921 nan 8.210 nan 0.000 0.484 5337 A N 6.948 129.862 122.820 0.157 0.000 2.515 5337 A HA 0.089 4.407 4.320 -0.003 0.000 0.263 5337 A C 0.870 178.403 177.584 -0.085 0.000 1.096 5337 A CA -0.010 51.935 52.037 -0.152 0.000 0.769 5337 A CB 0.270 19.165 19.000 -0.174 0.000 1.040 5337 A HN 0.761 nan 8.150 nan 0.000 0.505 5338 Q N 0.782 120.486 119.800 -0.160 0.000 2.349 5338 Q HA 0.394 4.732 4.340 -0.003 0.000 0.209 5338 Q C 0.502 176.462 176.000 -0.066 0.000 0.920 5338 Q CA 1.357 57.112 55.803 -0.081 0.000 0.901 5338 Q CB 0.486 29.174 28.738 -0.082 0.000 1.021 5338 Q HN 1.118 nan 8.270 nan 0.000 0.519 5339 A N -0.728 122.020 122.820 -0.119 0.000 2.522 5339 A HA 0.361 4.679 4.320 -0.003 0.000 0.291 5339 A C -2.256 175.107 177.584 -0.368 0.000 1.039 5339 A CA -0.811 51.151 52.037 -0.125 0.000 0.643 5339 A CB -0.199 18.743 19.000 -0.096 0.000 1.310 5339 A HN 0.152 nan 8.150 nan 0.000 0.436 5340 W N 2.001 122.904 121.300 -0.661 0.000 2.316 5340 W HA 0.574 5.232 4.660 -0.004 0.000 0.311 5340 W C 0.827 177.042 176.519 -0.508 0.000 1.217 5340 W CA -0.187 56.562 57.345 -0.993 0.000 1.199 5340 W CB 1.291 30.316 29.460 -0.725 0.000 1.202 5340 W HN 0.789 nan 8.180 nan 0.000 0.528 5341 K N 3.613 123.446 120.400 -0.944 0.000 2.076 5341 K HA 0.279 4.596 4.320 -0.003 0.000 0.204 5341 K C 0.703 176.661 176.600 -1.070 0.000 1.051 5341 K CA 1.171 56.975 56.287 -0.804 0.000 0.949 5341 K CB -0.126 32.013 32.500 -0.601 0.000 0.726 5341 K HN 0.644 nan 8.250 nan 0.000 0.443 5342 G N -0.093 107.646 108.800 -1.769 0.000 2.337 5342 G HA2 -0.087 3.871 3.960 -0.003 0.000 0.310 5342 G HA3 -0.087 3.871 3.960 -0.003 0.000 0.310 5342 G C -1.814 172.557 174.900 -0.882 0.000 1.534 5342 G CA -0.895 43.207 45.100 -1.663 0.000 0.982 5342 G HN 0.266 nan 8.290 nan 0.000 0.672 5343 H N 0.538 119.350 119.070 -0.430 0.000 2.803 5343 H HA 0.536 5.090 4.556 -0.003 0.000 0.330 5343 H C 0.338 175.432 175.328 -0.389 0.000 1.057 5343 H CA 0.592 56.515 56.048 -0.207 0.000 1.458 5343 H CB 1.337 30.594 29.762 -0.842 0.000 1.470 5343 H HN 0.885 nan 8.280 nan 0.000 0.560 5344 A N 6.592 128.955 122.820 -0.763 0.000 2.341 5344 A HA 0.341 4.659 4.320 -0.003 0.000 0.326 5344 A C -0.246 176.954 177.584 -0.640 0.000 1.402 5344 A CA -0.707 50.765 52.037 -0.942 0.000 0.957 5344 A CB -0.360 18.249 19.000 -0.652 0.000 1.151 5344 A HN 0.516 nan 8.150 nan 0.000 0.533 5345 V N 0.493 120.067 119.914 -0.567 0.000 2.383 5345 V HA 0.617 4.734 4.120 -0.003 0.000 0.275 5345 V C -0.563 175.412 176.094 -0.199 0.000 1.036 5345 V CA -0.629 61.524 62.300 -0.244 0.000 0.889 5345 V CB -0.025 31.666 31.823 -0.220 0.000 0.985 5345 V HN 0.530 nan 8.190 nan 0.000 0.459 5346 F N 4.002 123.838 119.950 -0.190 0.000 2.411 5346 F HA 0.600 5.125 4.527 -0.003 0.000 0.355 5346 F C 1.045 176.802 175.800 -0.070 0.000 1.117 5346 F CA -0.534 57.393 58.000 -0.122 0.000 1.139 5346 F CB 1.052 39.999 39.000 -0.088 0.000 1.120 5346 F HN 0.445 nan 8.300 nan 0.000 0.493 5347 R N 2.072 122.591 120.500 0.032 0.000 2.486 5347 R HA 0.219 4.556 4.340 -0.003 0.000 0.286 5347 R C 0.152 176.460 176.300 0.014 0.000 0.999 5347 R CA -0.936 55.181 56.100 0.029 0.000 0.993 5347 R CB 0.951 31.252 30.300 0.002 0.000 1.084 5347 R HN 0.589 nan 8.270 nan 0.000 0.487 5348 N N 1.245 119.955 118.700 0.017 0.000 2.322 5348 N HA -0.011 4.727 4.740 -0.003 0.000 0.270 5348 N C 0.523 176.031 175.510 -0.004 0.000 1.286 5348 N CA 0.148 53.196 53.050 -0.004 0.000 0.948 5348 N CB 0.881 39.371 38.487 0.006 0.000 1.164 5348 N HN 0.445 nan 8.380 nan 0.000 0.551 5349 K N 0.165 120.560 120.400 -0.007 0.000 2.262 5349 K HA -0.009 4.309 4.320 -0.003 0.000 0.200 5349 K C 0.925 177.527 176.600 0.003 0.000 1.049 5349 K CA 0.739 57.027 56.287 0.001 0.000 0.979 5349 K CB 0.156 32.658 32.500 0.003 0.000 0.773 5349 K HN 0.377 nan 8.250 nan 0.000 0.474 5350 E N -0.735 119.466 120.200 0.001 0.000 2.347 5350 E HA -0.022 4.326 4.350 -0.003 0.000 0.196 5350 E C 0.963 177.569 176.600 0.010 0.000 1.008 5350 E CA 1.028 57.430 56.400 0.004 0.000 0.852 5350 E CB 0.373 30.073 29.700 0.001 0.000 0.783 5350 E HN 0.545 nan 8.360 nan 0.000 0.505 5351 G N 0.083 108.892 108.800 0.014 0.000 2.253 5351 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.209 5351 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.209 5351 G C -0.199 174.721 174.900 0.033 0.000 0.997 5351 G CA -0.084 45.029 45.100 0.022 0.000 0.640 5351 G HN 0.308 nan 8.290 nan 0.000 0.496 5352 E N 1.166 121.387 120.200 0.034 0.000 2.437 5352 E HA 0.315 4.663 4.350 -0.003 0.000 0.263 5352 E C 0.152 176.798 176.600 0.077 0.000 1.030 5352 E CA 0.110 56.540 56.400 0.051 0.000 0.934 5352 E CB 1.035 30.759 29.700 0.040 0.000 0.943 5352 E HN 0.489 nan 8.360 nan 0.000 0.444 5353 E N 2.206 122.476 120.200 0.117 0.000 2.313 5353 E HA 0.311 4.659 4.350 -0.003 0.000 0.272 5353 E C -0.907 175.849 176.600 0.261 0.000 1.038 5353 E CA -0.351 56.154 56.400 0.175 0.000 0.863 5353 E CB 0.700 30.529 29.700 0.215 0.000 1.060 5353 E HN 0.297 nan 8.360 nan 0.000 0.402 5354 L N 2.819 124.230 121.223 0.313 0.000 2.303 5354 L HA 0.568 4.906 4.340 -0.003 0.000 0.256 5354 L C -0.899 176.353 176.870 0.637 0.000 1.034 5354 L CA -0.752 54.320 54.840 0.388 0.000 0.832 5354 L CB 1.606 43.772 42.059 0.177 0.000 1.403 5354 L HN 0.530 nan 8.230 nan 0.000 0.419 5355 F N -0.345 119.612 119.950 0.012 0.000 2.563 5355 F HA 0.512 5.036 4.527 -0.004 0.000 0.316 5355 F C -0.310 175.440 175.800 -0.084 0.000 1.076 5355 F CA -1.401 56.599 58.000 0.000 0.000 0.921 5355 F CB 2.188 41.216 39.000 0.046 0.000 1.209 5355 F HN -0.067 nan 8.300 nan 0.000 0.462 5356 V N 3.161 123.087 119.914 0.021 0.000 2.405 5356 V HA 0.163 4.280 4.120 -0.003 0.000 0.264 5356 V C 0.436 176.575 176.094 0.074 0.000 1.048 5356 V CA -0.456 61.801 62.300 -0.072 0.000 0.966 5356 V CB 0.729 32.440 31.823 -0.187 0.000 1.015 5356 V HN 0.627 nan 8.190 nan 0.000 0.477 5357 R N 5.762 126.315 120.500 0.088 0.000 2.413 5357 R HA 0.137 4.475 4.340 -0.003 0.000 0.333 5357 R C 0.636 177.027 176.300 0.152 0.000 1.074 5357 R CA -0.245 55.926 56.100 0.118 0.000 0.982 5357 R CB 0.031 30.393 30.300 0.103 0.000 0.981 5357 R HN 0.669 nan 8.270 nan 0.000 0.452 5358 R N 2.374 122.942 120.500 0.114 0.000 2.890 5358 R HA -0.136 4.202 4.340 -0.003 0.000 0.271 5358 R C 0.546 176.819 176.300 -0.046 0.000 0.983 5358 R CA 0.646 56.809 56.100 0.106 0.000 1.145 5358 R CB 0.210 30.565 30.300 0.092 0.000 1.050 5358 R HN 0.540 nan 8.270 nan 0.000 0.465 5359 M N 2.175 121.710 119.600 -0.109 0.000 2.061 5359 M HA 0.351 4.829 4.480 -0.003 0.000 0.346 5359 M C -2.311 173.845 176.300 -0.240 0.000 1.112 5359 M CA -1.852 53.047 55.300 -0.669 0.000 1.021 5359 M CB 1.667 33.933 32.600 -0.556 0.000 1.530 5359 M HN 0.186 nan 8.290 nan 0.000 0.437 5360 P HA 0.080 nan 4.420 nan 0.000 0.271 5360 P C 0.590 178.027 177.300 0.228 0.000 1.226 5360 P CA 0.269 63.374 63.100 0.008 0.000 0.765 5360 P CB 1.007 32.651 31.700 -0.093 0.000 0.835 5361 A N 3.795 126.837 122.820 0.370 0.000 2.110 5361 A HA -0.268 4.050 4.320 -0.003 0.000 0.226 5361 A C 1.744 179.419 177.584 0.153 0.000 1.218 5361 A CA 1.862 54.009 52.037 0.184 0.000 0.689 5361 A CB -1.777 17.312 19.000 0.150 0.000 0.824 5361 A HN 0.563 nan 8.150 nan 0.000 0.496 5362 F N -1.542 118.588 119.950 0.299 0.000 2.325 5362 F HA 0.123 4.648 4.527 -0.004 0.000 0.299 5362 F C 0.657 176.619 175.800 0.270 0.000 1.090 5362 F CA 0.353 58.512 58.000 0.264 0.000 1.392 5362 F CB -0.097 39.028 39.000 0.209 0.000 1.053 5362 F HN 0.147 nan 8.300 nan 0.000 0.521 5363 F N 0.486 120.546 119.950 0.183 0.000 2.411 5363 F HA 0.215 4.741 4.527 -0.002 0.000 0.350 5363 F C 1.274 177.150 175.800 0.125 0.000 1.114 5363 F CA -0.892 57.206 58.000 0.163 0.000 1.135 5363 F CB 0.737 39.875 39.000 0.228 0.000 1.120 5363 F HN -0.119 nan 8.300 nan 0.000 0.495 5364 E N 1.179 121.568 120.200 0.314 0.000 2.190 5364 E HA -0.047 4.301 4.350 -0.003 0.000 0.191 5364 E C 0.885 177.683 176.600 0.330 0.000 0.978 5364 E CA 0.432 56.995 56.400 0.272 0.000 0.839 5364 E CB 0.348 30.161 29.700 0.190 0.000 0.787 5364 E HN 0.582 nan 8.360 nan 0.000 0.473 5365 S N -0.351 115.564 115.700 0.358 0.000 2.690 5365 S HA 0.576 5.044 4.470 -0.003 0.000 0.291 5365 S C -0.579 174.349 174.600 0.548 0.000 1.138 5365 S CA -0.653 57.764 58.200 0.362 0.000 1.013 5365 S CB 1.560 64.928 63.200 0.280 0.000 1.053 5365 S HN 0.067 nan 8.310 nan 0.000 0.539 5366 F N 1.106 121.160 119.950 0.173 0.000 2.654 5366 F HA 0.392 4.917 4.527 -0.004 0.000 0.315 5366 F C -2.671 173.160 175.800 0.053 0.000 1.042 5366 F CA -1.043 57.024 58.000 0.111 0.000 1.048 5366 F CB 1.408 40.431 39.000 0.039 0.000 1.287 5366 F HN 0.675 nan 8.300 nan 0.000 0.501 5367 P HA 0.427 nan 4.420 nan 0.000 0.293 5367 P C -0.769 176.390 177.300 -0.235 0.000 1.300 5367 P CA -0.346 62.609 63.100 -0.242 0.000 0.792 5367 P CB 1.713 33.250 31.700 -0.271 0.000 0.925 5368 V N 3.590 123.465 119.914 -0.065 0.000 2.614 5368 V HA 0.447 4.565 4.120 -0.003 0.000 0.291 5368 V C -0.325 175.773 176.094 0.006 0.000 1.049 5368 V CA -0.114 62.186 62.300 -0.001 0.000 1.038 5368 V CB 0.038 31.872 31.823 0.018 0.000 0.980 5368 V HN 0.412 nan 8.190 nan 0.000 0.481 5369 I N 5.278 125.859 120.570 0.018 0.000 2.619 5369 I HA 0.400 4.568 4.170 -0.003 0.000 0.292 5369 I C -1.264 174.872 176.117 0.032 0.000 1.100 5369 I CA -0.741 60.572 61.300 0.022 0.000 1.043 5369 I CB 2.169 40.154 38.000 -0.024 0.000 1.239 5369 I HN 0.488 nan 8.210 nan 0.000 0.420 5370 L N 5.528 126.773 121.223 0.038 0.000 2.276 5370 L HA 0.425 4.763 4.340 -0.003 0.000 0.286 5370 L C 0.385 177.278 176.870 0.038 0.000 1.024 5370 L CA -0.195 54.653 54.840 0.012 0.000 0.826 5370 L CB 1.389 43.418 42.059 -0.050 0.000 1.211 5370 L HN 0.600 nan 8.230 nan 0.000 0.422 5371 T N -1.345 113.235 114.554 0.043 0.000 2.902 5371 T HA 0.464 4.812 4.350 -0.003 0.000 0.283 5371 T C -0.134 174.556 174.700 -0.015 0.000 1.009 5371 T CA -0.985 61.123 62.100 0.012 0.000 1.051 5371 T CB 1.435 70.289 68.868 -0.023 0.000 0.999 5371 T HN 0.538 nan 8.240 nan 0.000 0.474 5372 D N 1.267 121.653 120.400 -0.024 0.000 2.419 5372 D HA 0.022 4.660 4.640 -0.003 0.000 0.236 5372 D C 1.486 177.674 176.300 -0.186 0.000 1.165 5372 D CA -0.435 53.537 54.000 -0.046 0.000 0.882 5372 D CB 0.830 41.615 40.800 -0.025 0.000 1.201 5372 D HN 0.651 nan 8.370 nan 0.000 0.443 5373 K N 1.886 122.131 120.400 -0.258 0.000 2.374 5373 K HA -0.249 4.069 4.320 -0.003 0.000 0.202 5373 K C 0.147 176.519 176.600 -0.380 0.000 1.044 5373 K CA 1.383 57.342 56.287 -0.547 0.000 0.933 5373 K CB -0.764 31.584 32.500 -0.253 0.000 0.745 5373 K HN 0.504 nan 8.250 nan 0.000 0.474 5374 N N 0.229 118.806 118.700 -0.206 0.000 2.389 5374 N HA 0.136 4.874 4.740 -0.003 0.000 0.260 5374 N C 0.268 175.718 175.510 -0.100 0.000 1.191 5374 N CA 0.031 53.002 53.050 -0.132 0.000 0.885 5374 N CB 1.246 39.687 38.487 -0.076 0.000 1.162 5374 N HN 0.382 nan 8.380 nan 0.000 0.512 5375 G N 0.257 108.984 108.800 -0.122 0.000 2.245 5375 G HA2 -0.321 3.637 3.960 -0.003 0.000 0.264 5375 G HA3 -0.321 3.637 3.960 -0.003 0.000 0.264 5375 G C 0.402 175.281 174.900 -0.034 0.000 0.985 5375 G CA 0.382 45.440 45.100 -0.070 0.000 0.625 5375 G HN 0.210 nan 8.290 nan 0.000 0.536 5376 V N 0.682 120.579 119.914 -0.028 0.000 3.237 5376 V HA 0.429 4.547 4.120 -0.003 0.000 0.305 5376 V C 1.136 177.251 176.094 0.035 0.000 1.096 5376 V CA -0.110 62.197 62.300 0.011 0.000 1.130 5376 V CB 1.652 33.483 31.823 0.014 0.000 1.048 5376 V HN 0.469 nan 8.190 nan 0.000 0.484 5377 V N 3.084 123.054 119.914 0.093 0.000 2.347 5377 V HA 0.414 4.532 4.120 -0.003 0.000 0.280 5377 V C 0.606 176.861 176.094 0.269 0.000 1.021 5377 V CA -0.512 61.867 62.300 0.131 0.000 0.847 5377 V CB 1.079 32.941 31.823 0.064 0.000 0.990 5377 V HN 0.834 nan 8.190 nan 0.000 0.444 5378 K N 2.544 123.055 120.400 0.186 0.000 2.402 5378 K HA 0.595 4.913 4.320 -0.003 0.000 0.203 5378 K C 0.193 176.893 176.600 0.167 0.000 1.077 5378 K CA 0.392 56.776 56.287 0.162 0.000 1.051 5378 K CB 1.766 34.300 32.500 0.056 0.000 0.907 5378 K HN 0.786 nan 8.250 nan 0.000 0.554 5379 A N 1.994 124.913 122.820 0.165 0.000 2.577 5379 A HA 0.538 4.856 4.320 -0.003 0.000 0.297 5379 A C -1.773 175.914 177.584 0.170 0.000 1.060 5379 A CA -0.766 51.343 52.037 0.119 0.000 0.697 5379 A CB 1.303 20.222 19.000 -0.133 0.000 1.281 5379 A HN 0.150 nan 8.150 nan 0.000 0.402 5380 D N -0.212 120.358 120.400 0.283 0.000 2.692 5380 D HA 0.496 5.134 4.640 -0.003 0.000 0.303 5380 D C -1.157 175.301 176.300 0.263 0.000 1.278 5380 D CA -0.430 53.707 54.000 0.228 0.000 0.852 5380 D CB 0.612 41.438 40.800 0.043 0.000 1.375 5380 D HN 0.442 nan 8.370 nan 0.000 0.453 5381 I N 0.457 121.081 120.570 0.090 0.000 2.464 5381 I HA 0.292 4.460 4.170 -0.003 0.000 0.277 5381 I C -2.298 173.823 176.117 0.006 0.000 1.040 5381 I CA -1.713 59.579 61.300 -0.014 0.000 1.153 5381 I CB 1.161 39.082 38.000 -0.132 0.000 1.274 5381 I HN 0.029 nan 8.210 nan 0.000 0.469 5382 P HA -0.061 nan 4.420 nan 0.000 0.267 5382 P C -0.064 177.279 177.300 0.071 0.000 1.195 5382 P CA 0.220 63.357 63.100 0.063 0.000 0.773 5382 P CB 0.792 32.534 31.700 0.069 0.000 0.837 5383 F N 1.552 121.490 119.950 -0.020 0.000 2.557 5383 F HA 0.161 4.686 4.527 -0.004 0.000 0.278 5383 F C 2.004 177.798 175.800 -0.009 0.000 1.051 5383 F CA 0.650 58.639 58.000 -0.018 0.000 1.357 5383 F CB 0.078 39.064 39.000 -0.024 0.000 1.104 5383 F HN 0.070 nan 8.300 nan 0.000 0.654 5384 R N 0.413 121.102 120.500 0.314 0.000 2.062 5384 R HA -0.106 4.232 4.340 -0.003 0.000 0.231 5384 R C 1.388 177.762 176.300 0.123 0.000 1.136 5384 R CA 1.414 57.632 56.100 0.198 0.000 0.948 5384 R CB -0.611 29.753 30.300 0.107 0.000 0.845 5384 R HN 0.248 nan 8.270 nan 0.000 0.430 5385 R N -1.750 118.807 120.500 0.095 0.000 3.977 5385 R HA -0.248 4.090 4.340 -0.003 0.000 0.428 5385 R C 0.956 177.289 176.300 0.055 0.000 1.079 5385 R CA 0.940 57.077 56.100 0.062 0.000 1.269 5385 R CB -1.516 28.801 30.300 0.030 0.000 1.856 5385 R HN 0.412 nan 8.270 nan 0.000 0.551 5386 A N -0.440 122.415 122.820 0.059 0.000 2.140 5386 A HA 0.181 4.499 4.320 -0.003 0.000 0.209 5386 A C 1.135 178.750 177.584 0.050 0.000 1.181 5386 A CA 0.549 52.615 52.037 0.048 0.000 0.824 5386 A CB 0.269 19.295 19.000 0.044 0.000 0.879 5386 A HN 0.432 nan 8.150 nan 0.000 0.480 5387 E N 0.381 120.616 120.200 0.059 0.000 2.869 5387 E HA 0.159 4.507 4.350 -0.003 0.000 0.207 5387 E C -0.421 176.227 176.600 0.081 0.000 0.986 5387 E CA -0.243 56.194 56.400 0.061 0.000 1.131 5387 E CB 0.501 30.233 29.700 0.053 0.000 1.098 5387 E HN 0.331 nan 8.360 nan 0.000 0.459 5388 S N 0.655 116.408 115.700 0.088 0.000 2.533 5388 S HA 0.095 4.563 4.470 -0.003 0.000 0.282 5388 S C 0.897 175.587 174.600 0.151 0.000 1.304 5388 S CA 0.182 58.453 58.200 0.119 0.000 1.063 5388 S CB 0.824 64.091 63.200 0.112 0.000 0.881 5388 S HN 0.227 nan 8.310 nan 0.000 0.493 5389 K N 3.044 123.596 120.400 0.253 0.000 2.399 5389 K HA 0.142 4.460 4.320 -0.003 0.000 0.196 5389 K C -0.253 176.529 176.600 0.302 0.000 1.117 5389 K CA 0.339 56.788 56.287 0.271 0.000 0.965 5389 K CB 0.258 32.979 32.500 0.369 0.000 0.983 5389 K HN 0.765 nan 8.250 nan 0.000 0.531 5390 Y N 0.166 120.498 120.300 0.053 0.000 2.696 5390 Y HA 0.291 4.839 4.550 -0.003 0.000 0.260 5390 Y C 0.331 176.293 175.900 0.103 0.000 1.165 5390 Y CA -1.132 57.005 58.100 0.061 0.000 1.189 5390 Y CB 0.128 38.619 38.460 0.052 0.000 1.180 5390 Y HN -0.181 nan 8.280 nan 0.000 0.538 5391 S N 0.138 115.994 115.700 0.260 0.000 2.563 5391 S HA -0.017 4.450 4.470 -0.003 0.000 0.284 5391 S C 1.328 176.111 174.600 0.306 0.000 1.331 5391 S CA -0.254 58.102 58.200 0.260 0.000 1.047 5391 S CB 0.234 63.541 63.200 0.177 0.000 0.859 5391 S HN 0.314 nan 8.310 nan 0.000 0.514 5392 F N 2.909 122.913 119.950 0.090 0.000 2.087 5392 F HA -0.145 4.380 4.527 -0.003 0.000 0.299 5392 F C 2.241 178.087 175.800 0.076 0.000 1.100 5392 F CA 2.256 60.312 58.000 0.093 0.000 1.226 5392 F CB -0.821 38.237 39.000 0.096 0.000 0.983 5392 F HN 0.712 nan 8.300 nan 0.000 0.479 5393 E N -0.500 119.866 120.200 0.277 0.000 2.077 5393 E HA -0.236 4.112 4.350 -0.003 0.000 0.193 5393 E C 2.098 178.765 176.600 0.112 0.000 0.989 5393 E CA 1.365 57.862 56.400 0.162 0.000 0.800 5393 E CB -0.410 29.362 29.700 0.120 0.000 0.746 5393 E HN 0.604 nan 8.360 nan 0.000 0.452 5394 Q N 0.015 119.880 119.800 0.109 0.000 2.451 5394 Q HA -0.041 4.297 4.340 -0.003 0.000 0.206 5394 Q C 1.293 177.323 176.000 0.050 0.000 0.947 5394 Q CA 0.689 56.535 55.803 0.071 0.000 0.937 5394 Q CB 0.379 29.159 28.738 0.069 0.000 1.025 5394 Q HN 0.125 nan 8.270 nan 0.000 0.511 5395 Q N 0.169 120.005 119.800 0.060 0.000 2.159 5395 Q HA 0.157 4.495 4.340 -0.003 0.000 0.217 5395 Q C 0.045 176.052 176.000 0.011 0.000 0.818 5395 Q CA 0.378 56.193 55.803 0.020 0.000 1.008 5395 Q CB 1.306 30.051 28.738 0.012 0.000 1.148 5395 Q HN 0.598 nan 8.270 nan 0.000 0.491 5396 G N 1.697 110.521 108.800 0.040 0.000 2.412 5396 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.297 5396 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.297 5396 G C 0.383 175.288 174.900 0.010 0.000 0.965 5396 G CA 0.478 45.601 45.100 0.040 0.000 1.134 5396 G HN 0.191 nan 8.290 nan 0.000 0.511 5397 V N -0.173 119.723 119.914 -0.029 0.000 3.096 5397 V HA 0.693 4.811 4.120 -0.003 0.000 0.306 5397 V C 0.968 177.065 176.094 0.005 0.000 1.088 5397 V CA 0.810 63.025 62.300 -0.142 0.000 1.129 5397 V CB 1.554 32.981 31.823 -0.660 0.000 1.014 5397 V HN 0.885 nan 8.190 nan 0.000 0.486 5398 T N 2.033 116.584 114.554 -0.004 0.000 2.840 5398 T HA 0.611 4.959 4.350 -0.003 0.000 0.317 5398 T C -1.678 172.953 174.700 -0.115 0.000 1.401 5398 T CA -0.392 61.712 62.100 0.007 0.000 1.028 5398 T CB 1.724 70.590 68.868 -0.003 0.000 1.317 5398 T HN 0.457 nan 8.240 nan 0.000 0.495 5399 V N 2.808 122.609 119.914 -0.187 0.000 2.638 5399 V HA 0.742 4.860 4.120 -0.003 0.000 0.306 5399 V C -0.130 175.700 176.094 -0.440 0.000 1.052 5399 V CA -0.723 61.277 62.300 -0.501 0.000 0.885 5399 V CB 2.024 33.386 31.823 -0.769 0.000 0.999 5399 V HN 1.014 nan 8.190 nan 0.000 0.424 5400 S N 2.919 118.318 115.700 -0.502 0.000 2.689 5400 S HA 0.870 5.338 4.470 -0.003 0.000 0.306 5400 S C -1.206 173.047 174.600 -0.577 0.000 1.104 5400 S CA -0.449 57.510 58.200 -0.401 0.000 0.973 5400 S CB 1.726 64.831 63.200 -0.158 0.000 1.121 5400 S HN 0.473 nan 8.310 nan 0.000 0.523 5401 F N 1.173 120.807 119.950 -0.526 0.000 2.561 5401 F HA 0.548 5.073 4.527 -0.004 0.000 0.313 5401 F C -1.345 174.099 175.800 -0.594 0.000 1.126 5401 F CA -0.590 57.130 58.000 -0.466 0.000 0.918 5401 F CB 1.498 40.172 39.000 -0.543 0.000 1.199 5401 F HN 0.438 nan 8.300 nan 0.000 0.444 5402 Y N 1.362 121.581 120.300 -0.136 0.000 2.391 5402 Y HA 0.683 5.231 4.550 -0.004 0.000 0.341 5402 Y C 0.554 176.482 175.900 0.047 0.000 0.965 5402 Y CA -1.245 56.823 58.100 -0.054 0.000 1.067 5402 Y CB 1.605 40.014 38.460 -0.086 0.000 1.199 5402 Y HN 0.896 nan 8.280 nan 0.000 0.450 5403 G N 0.805 109.766 108.800 0.269 0.000 2.741 5403 G HA2 0.326 4.284 3.960 -0.003 0.000 0.222 5403 G HA3 0.326 4.284 3.960 -0.003 0.000 0.222 5403 G C 0.359 175.306 174.900 0.077 0.000 1.364 5403 G CA -0.081 45.248 45.100 0.380 0.000 0.866 5403 G HN 1.887 nan 8.290 nan 0.000 0.555 5404 G N -0.873 108.085 108.800 0.263 0.000 2.527 5404 G HA2 0.078 4.036 3.960 -0.003 0.000 0.268 5404 G HA3 0.078 4.036 3.960 -0.003 0.000 0.268 5404 G C 0.905 175.754 174.900 -0.084 0.000 1.175 5404 G CA 1.752 46.827 45.100 -0.042 0.000 0.962 5404 G HN 2.374 nan 8.290 nan 0.000 0.560 5405 E N -0.969 119.091 120.200 -0.234 0.000 2.474 5405 E HA 0.379 4.727 4.350 -0.003 0.000 0.215 5405 E C 2.278 178.730 176.600 -0.247 0.000 0.867 5405 E CA 0.100 56.391 56.400 -0.181 0.000 1.135 5405 E CB -0.008 29.594 29.700 -0.163 0.000 1.147 5405 E HN 0.322 nan 8.360 nan 0.000 0.534 5406 L N 2.018 123.001 121.223 -0.400 0.000 2.027 5406 L HA 0.022 4.360 4.340 -0.003 0.000 0.206 5406 L C 0.517 177.167 176.870 -0.367 0.000 1.074 5406 L CA 1.257 55.799 54.840 -0.495 0.000 0.745 5406 L CB -1.509 39.936 42.059 -1.024 0.000 0.898 5406 L HN 0.251 nan 8.230 nan 0.000 0.433 5407 N N -0.344 118.176 118.700 -0.300 0.000 2.633 5407 N HA -0.216 4.522 4.740 -0.003 0.000 0.402 5407 N C 1.096 176.457 175.510 -0.249 0.000 1.099 5407 N CA 1.203 54.131 53.050 -0.203 0.000 2.096 5407 N CB -0.009 38.417 38.487 -0.101 0.000 0.717 5407 N HN 0.554 nan 8.380 nan 0.000 0.767 5408 G N 0.852 109.466 108.800 -0.310 0.000 2.243 5408 G HA2 -0.372 3.586 3.960 -0.003 0.000 0.276 5408 G HA3 -0.372 3.586 3.960 -0.003 0.000 0.276 5408 G C 0.150 174.849 174.900 -0.335 0.000 0.997 5408 G CA 1.362 46.261 45.100 -0.336 0.000 0.693 5408 G HN 0.925 nan 8.290 nan 0.000 0.529 5409 Q N -0.123 119.452 119.800 -0.376 0.000 2.215 5409 Q HA 0.696 5.034 4.340 -0.003 0.000 0.256 5409 Q C 0.204 175.890 176.000 -0.523 0.000 0.972 5409 Q CA -0.033 55.508 55.803 -0.437 0.000 0.889 5409 Q CB 1.364 29.797 28.738 -0.510 0.000 1.281 5409 Q HN 0.462 nan 8.270 nan 0.000 0.456 5410 T N -1.174 113.031 114.554 -0.582 0.000 2.909 5410 T HA 0.676 5.024 4.350 -0.003 0.000 0.299 5410 T C -1.139 173.229 174.700 -0.554 0.000 1.073 5410 T CA -0.629 61.169 62.100 -0.504 0.000 0.999 5410 T CB 0.737 69.439 68.868 -0.277 0.000 1.098 5410 T HN 0.297 nan 8.240 nan 0.000 0.477 5411 F N 0.763 120.683 119.950 -0.049 0.000 2.507 5411 F HA 0.684 5.209 4.527 -0.003 0.000 0.325 5411 F C 1.341 177.146 175.800 0.008 0.000 1.116 5411 F CA -1.104 56.900 58.000 0.006 0.000 0.930 5411 F CB 2.430 41.475 39.000 0.076 0.000 1.146 5411 F HN 0.840 nan 8.300 nan 0.000 0.447 5412 T N -0.388 114.309 114.554 0.238 0.000 2.999 5412 T HA 0.030 4.378 4.350 -0.003 0.000 0.247 5412 T C -0.126 174.661 174.700 0.145 0.000 1.012 5412 T CA 0.099 62.287 62.100 0.146 0.000 1.048 5412 T CB -0.528 68.395 68.868 0.091 0.000 1.020 5412 T HN 0.615 nan 8.240 nan 0.000 0.478 5413 D N 2.208 122.691 120.400 0.138 0.000 2.451 5413 D HA 0.091 4.729 4.640 -0.003 0.000 0.254 5413 D C -1.684 174.687 176.300 0.119 0.000 1.204 5413 D CA -1.097 52.965 54.000 0.103 0.000 0.896 5413 D CB 0.630 41.471 40.800 0.068 0.000 1.136 5413 D HN 0.123 nan 8.370 nan 0.000 0.499 5414 P HA -0.226 nan 4.420 nan 0.000 0.221 5414 P C -1.555 175.801 177.300 0.093 0.000 1.153 5414 P CA 1.561 64.751 63.100 0.150 0.000 0.858 5414 P CB -0.602 31.168 31.700 0.117 0.000 0.783 5415 P HA -0.094 nan 4.420 nan 0.000 0.206 5415 P C 1.580 178.882 177.300 0.002 0.000 1.209 5415 P CA 1.778 64.874 63.100 -0.007 0.000 0.923 5415 P CB -0.787 30.899 31.700 -0.023 0.000 0.761 5416 T N -0.227 114.325 114.554 -0.003 0.000 2.721 5416 T HA -0.160 4.188 4.350 -0.003 0.000 0.268 5416 T C 1.831 176.638 174.700 0.177 0.000 1.038 5416 T CA 1.409 63.502 62.100 -0.011 0.000 1.145 5416 T CB -1.232 67.571 68.868 -0.109 0.000 0.858 5416 T HN -0.158 nan 8.240 nan 0.000 0.459 5417 V N 1.232 121.298 119.914 0.253 0.000 2.287 5417 V HA -0.236 3.882 4.120 -0.003 0.000 0.248 5417 V C 2.445 178.844 176.094 0.507 0.000 1.053 5417 V CA 1.709 64.252 62.300 0.406 0.000 1.027 5417 V CB -0.489 31.587 31.823 0.423 0.000 0.646 5417 V HN 0.515 nan 8.190 nan 0.000 0.447 5418 K N -0.071 120.457 120.400 0.214 0.000 1.965 5418 K HA -0.225 4.093 4.320 -0.003 0.000 0.220 5418 K C 2.402 179.031 176.600 0.049 0.000 1.046 5418 K CA 1.886 58.049 56.287 -0.207 0.000 0.974 5418 K CB -0.807 31.429 32.500 -0.440 0.000 0.738 5418 K HN 0.366 nan 8.250 nan 0.000 0.444 5419 S N 0.346 116.040 115.700 -0.010 0.000 2.427 5419 S HA -0.310 4.158 4.470 -0.003 0.000 0.261 5419 S C 1.954 176.612 174.600 0.097 0.000 1.091 5419 S CA 2.108 60.295 58.200 -0.021 0.000 1.251 5419 S CB -0.731 62.383 63.200 -0.144 0.000 1.160 5419 S HN 0.332 nan 8.310 nan 0.000 0.436 5420 Y N 1.828 122.263 120.300 0.226 0.000 2.219 5420 Y HA -0.235 4.313 4.550 -0.003 0.000 0.283 5420 Y C 2.621 178.828 175.900 0.513 0.000 1.191 5420 Y CA 1.100 59.410 58.100 0.349 0.000 1.199 5420 Y CB -1.073 37.586 38.460 0.332 0.000 0.972 5420 Y HN 0.434 nan 8.280 nan 0.000 0.527 5421 A N -0.060 123.176 122.820 0.694 0.000 1.840 5421 A HA -0.183 4.135 4.320 -0.003 0.000 0.214 5421 A C 2.382 180.064 177.584 0.163 0.000 1.198 5421 A CA 1.506 53.777 52.037 0.390 0.000 0.608 5421 A CB -0.792 18.416 19.000 0.346 0.000 0.839 5421 A HN 0.387 nan 8.150 nan 0.000 0.443 5422 R N -0.154 120.414 120.500 0.113 0.000 2.154 5422 R HA -0.210 4.128 4.340 -0.003 0.000 0.248 5422 R C 1.768 178.077 176.300 0.016 0.000 1.155 5422 R CA 2.148 58.261 56.100 0.022 0.000 0.979 5422 R CB -0.223 30.094 30.300 0.029 0.000 0.869 5422 R HN 0.418 nan 8.270 nan 0.000 0.452 5423 K N -0.694 119.845 120.400 0.233 0.000 2.400 5423 K HA 0.115 4.433 4.320 -0.003 0.000 0.194 5423 K C 1.498 178.399 176.600 0.501 0.000 1.033 5423 K CA 0.713 57.293 56.287 0.488 0.000 1.021 5423 K CB 0.308 33.077 32.500 0.449 0.000 0.808 5423 K HN 0.289 nan 8.250 nan 0.000 0.505 5424 A N 0.285 123.305 122.820 0.333 0.000 2.072 5424 A HA 0.052 4.370 4.320 -0.003 0.000 0.216 5424 A C 1.792 179.495 177.584 0.198 0.000 1.156 5424 A CA 0.404 52.635 52.037 0.323 0.000 0.701 5424 A CB -0.279 18.885 19.000 0.273 0.000 0.816 5424 A HN 0.305 nan 8.150 nan 0.000 0.458 5425 I N -0.927 119.635 120.570 -0.014 0.000 2.850 5425 I HA -0.180 3.988 4.170 -0.003 0.000 0.266 5425 I C 0.895 176.969 176.117 -0.071 0.000 1.257 5425 I CA 0.875 62.117 61.300 -0.097 0.000 1.465 5425 I CB -0.057 37.789 38.000 -0.258 0.000 1.091 5425 I HN 0.343 nan 8.210 nan 0.000 0.467 5426 F N 0.105 120.227 119.950 0.286 0.000 2.765 5426 F HA 0.307 4.831 4.527 -0.004 0.000 0.302 5426 F C 1.502 177.476 175.800 0.291 0.000 1.111 5426 F CA 0.518 58.634 58.000 0.193 0.000 1.359 5426 F CB -0.168 38.994 39.000 0.271 0.000 1.097 5426 F HN 0.123 nan 8.300 nan 0.000 0.577 5427 G N -0.367 108.811 108.800 0.630 0.000 2.637 5427 G HA2 -0.154 3.804 3.960 -0.003 0.000 0.211 5427 G HA3 -0.154 3.804 3.960 -0.003 0.000 0.211 5427 G C -0.741 174.577 174.900 0.698 0.000 1.213 5427 G CA -0.859 44.677 45.100 0.727 0.000 1.207 5427 G HN -0.067 nan 8.290 nan 0.000 0.559 5428 E N 1.052 121.743 120.200 0.819 0.000 2.194 5428 E HA 0.548 4.896 4.350 -0.003 0.000 0.284 5428 E C 0.395 177.521 176.600 0.876 0.000 1.035 5428 E CA -0.498 56.433 56.400 0.886 0.000 0.836 5428 E CB 1.186 31.560 29.700 1.124 0.000 1.070 5428 E HN 0.405 nan 8.360 nan 0.000 0.401 5429 I N 2.906 123.850 120.570 0.623 0.000 2.993 5429 I HA 0.009 4.177 4.170 -0.003 0.000 0.286 5429 I C 0.347 176.712 176.117 0.414 0.000 1.215 5429 I CA 0.793 62.408 61.300 0.525 0.000 1.393 5429 I CB -0.002 38.262 38.000 0.439 0.000 1.371 5429 I HN 0.350 nan 8.210 nan 0.000 0.602 5430 F N 1.016 120.944 119.950 -0.035 0.000 2.789 5430 F HA 0.405 4.930 4.527 -0.003 0.000 0.319 5430 F C -0.280 175.244 175.800 -0.460 0.000 1.168 5430 F CA -0.887 56.868 58.000 -0.408 0.000 0.934 5430 F CB 1.266 39.677 39.000 -0.981 0.000 1.375 5430 F HN 0.364 nan 8.300 nan 0.000 0.480 5431 E N 1.340 121.293 120.200 -0.412 0.000 2.145 5431 E HA 0.440 4.787 4.350 -0.003 0.000 0.262 5431 E C -1.877 174.476 176.600 -0.412 0.000 0.883 5431 E CA -0.341 55.888 56.400 -0.284 0.000 0.748 5431 E CB 0.704 30.293 29.700 -0.184 0.000 1.140 5431 E HN 0.350 nan 8.360 nan 0.000 0.417 5432 F N 2.868 122.795 119.950 -0.038 0.000 2.427 5432 F HA 0.190 4.715 4.527 -0.003 0.000 0.346 5432 F C 0.378 176.146 175.800 -0.054 0.000 1.120 5432 F CA -1.119 56.845 58.000 -0.059 0.000 1.033 5432 F CB 1.045 39.993 39.000 -0.087 0.000 1.126 5432 F HN 0.373 nan 8.300 nan 0.000 0.462 5433 D N 1.448 121.908 120.400 0.101 0.000 2.325 5433 D HA 0.099 4.736 4.640 -0.003 0.000 0.251 5433 D C 0.819 177.150 176.300 0.051 0.000 1.196 5433 D CA -0.169 53.858 54.000 0.044 0.000 0.866 5433 D CB 1.295 42.099 40.800 0.005 0.000 1.101 5433 D HN 0.635 nan 8.370 nan 0.000 0.476 5434 T N 0.709 115.279 114.554 0.027 0.000 3.000 5434 T HA 0.013 4.361 4.350 -0.003 0.000 0.248 5434 T C 1.467 176.157 174.700 -0.017 0.000 1.034 5434 T CA 0.307 62.407 62.100 -0.001 0.000 1.060 5434 T CB -0.167 68.688 68.868 -0.022 0.000 0.983 5434 T HN 0.282 nan 8.240 nan 0.000 0.482 5435 E N 1.978 122.168 120.200 -0.017 0.000 2.049 5435 E HA -0.145 4.203 4.350 -0.003 0.000 0.198 5435 E C 2.175 178.759 176.600 -0.027 0.000 1.007 5435 E CA 2.309 58.694 56.400 -0.024 0.000 0.809 5435 E CB -1.089 28.596 29.700 -0.024 0.000 0.749 5435 E HN 0.510 nan 8.360 nan 0.000 0.450 5436 T N 0.344 114.882 114.554 -0.027 0.000 2.624 5436 T HA -0.202 4.146 4.350 -0.003 0.000 0.268 5436 T C 1.785 176.464 174.700 -0.034 0.000 1.041 5436 T CA 1.729 63.809 62.100 -0.033 0.000 1.159 5436 T CB -0.338 68.507 68.868 -0.038 0.000 0.863 5436 T HN 0.139 nan 8.240 nan 0.000 0.434 5437 L N 0.289 121.494 121.223 -0.031 0.000 2.477 5437 L HA 0.211 4.549 4.340 -0.003 0.000 0.220 5437 L C 0.669 177.522 176.870 -0.029 0.000 1.106 5437 L CA -0.004 54.818 54.840 -0.030 0.000 0.851 5437 L CB 0.052 42.095 42.059 -0.027 0.000 0.994 5437 L HN 0.345 nan 8.230 nan 0.000 0.462 5438 N N 0.658 119.340 118.700 -0.030 0.000 2.729 5438 N HA -0.154 4.584 4.740 -0.003 0.000 0.259 5438 N C -0.298 175.189 175.510 -0.038 0.000 1.119 5438 N CA 0.510 53.540 53.050 -0.033 0.000 0.679 5438 N CB -0.802 37.667 38.487 -0.030 0.000 0.892 5438 N HN 0.100 nan 8.380 nan 0.000 0.558 5439 S N 0.603 116.275 115.700 -0.047 0.000 2.617 5439 S HA 0.143 4.611 4.470 -0.003 0.000 0.259 5439 S C 1.415 175.969 174.600 -0.076 0.000 1.301 5439 S CA 0.195 58.356 58.200 -0.065 0.000 0.984 5439 S CB 0.815 63.963 63.200 -0.087 0.000 0.954 5439 S HN 0.626 nan 8.310 nan 0.000 0.572 5440 D N -1.310 119.032 120.400 -0.096 0.000 2.422 5440 D HA 0.231 4.869 4.640 -0.003 0.000 0.218 5440 D C 1.102 177.321 176.300 -0.135 0.000 1.047 5440 D CA 0.689 54.632 54.000 -0.096 0.000 0.885 5440 D CB -0.440 40.315 40.800 -0.076 0.000 1.035 5440 D HN 0.816 nan 8.370 nan 0.000 0.502 5441 G N 0.279 108.959 108.800 -0.201 0.000 2.168 5441 G HA2 -0.144 3.814 3.960 -0.003 0.000 0.197 5441 G HA3 -0.144 3.814 3.960 -0.003 0.000 0.197 5441 G C -0.067 174.599 174.900 -0.390 0.000 0.997 5441 G CA 0.066 45.000 45.100 -0.276 0.000 0.658 5441 G HN 0.379 nan 8.290 nan 0.000 0.513 5442 I N 0.210 120.565 120.570 -0.358 0.000 2.740 5442 I HA 0.648 4.816 4.170 -0.003 0.000 0.303 5442 I C 0.380 176.254 176.117 -0.406 0.000 1.044 5442 I CA -1.495 59.566 61.300 -0.398 0.000 1.064 5442 I CB 1.396 39.296 38.000 -0.166 0.000 1.249 5442 I HN -0.078 nan 8.210 nan 0.000 0.433 5443 F N 2.433 122.297 119.950 -0.143 0.000 2.403 5443 F HA 0.519 5.044 4.527 -0.004 0.000 0.320 5443 F C 0.472 176.213 175.800 -0.098 0.000 1.176 5443 F CA -0.164 57.745 58.000 -0.152 0.000 1.206 5443 F CB 0.419 39.304 39.000 -0.192 0.000 1.235 5443 F HN 0.309 nan 8.300 nan 0.000 0.565 5444 R N -0.905 119.681 120.500 0.143 0.000 2.888 5444 R HA 0.509 4.846 4.340 -0.003 0.000 0.264 5444 R C -0.827 175.479 176.300 0.011 0.000 1.045 5444 R CA -0.883 55.262 56.100 0.075 0.000 0.962 5444 R CB 1.834 32.202 30.300 0.114 0.000 1.210 5444 R HN 0.658 nan 8.270 nan 0.000 0.479 5445 T N -0.223 114.275 114.554 -0.094 0.000 2.902 5445 T HA 0.427 4.775 4.350 -0.003 0.000 0.283 5445 T C -0.150 174.520 174.700 -0.051 0.000 1.009 5445 T CA -0.517 61.469 62.100 -0.190 0.000 1.051 5445 T CB 0.571 69.145 68.868 -0.490 0.000 0.999 5445 T HN 0.625 nan 8.240 nan 0.000 0.474 5446 S N 4.667 120.379 115.700 0.020 0.000 2.593 5446 S HA 0.278 4.746 4.470 -0.003 0.000 0.269 5446 S C -1.713 173.016 174.600 0.215 0.000 1.334 5446 S CA -0.931 57.364 58.200 0.158 0.000 1.015 5446 S CB 0.572 63.844 63.200 0.120 0.000 0.912 5446 S HN 0.560 nan 8.310 nan 0.000 0.541 5447 P HA -0.261 nan 4.420 nan 0.000 0.218 5447 P C 1.728 179.246 177.300 0.364 0.000 1.165 5447 P CA 1.882 65.179 63.100 0.329 0.000 0.922 5447 P CB -0.099 31.640 31.700 0.064 0.000 0.794 5448 R N -0.334 120.312 120.500 0.244 0.000 2.140 5448 R HA -0.190 4.148 4.340 -0.003 0.000 0.250 5448 R C 2.283 178.837 176.300 0.423 0.000 1.150 5448 R CA 2.434 58.746 56.100 0.353 0.000 0.966 5448 R CB -1.484 28.939 30.300 0.205 0.000 0.869 5448 R HN 0.207 nan 8.270 nan 0.000 0.445 5449 G N -0.002 108.972 108.800 0.289 0.000 2.511 5449 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.216 5449 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.216 5449 G C 1.048 176.074 174.900 0.210 0.000 1.218 5449 G CA 0.930 46.182 45.100 0.255 0.000 0.788 5449 G HN 0.548 nan 8.290 nan 0.000 0.560 5450 W N -0.024 121.423 121.300 0.244 0.000 2.315 5450 W HA -0.083 4.574 4.660 -0.004 0.000 0.323 5450 W C 2.320 179.006 176.519 0.279 0.000 1.233 5450 W CA 0.838 58.303 57.345 0.199 0.000 1.267 5450 W CB -0.826 28.680 29.460 0.076 0.000 1.160 5450 W HN 0.172 nan 8.180 nan 0.000 0.474 5451 F N 1.383 121.637 119.950 0.507 0.000 2.141 5451 F HA -0.376 4.149 4.527 -0.003 0.000 0.300 5451 F C 2.239 178.368 175.800 0.548 0.000 1.079 5451 F CA 2.493 60.847 58.000 0.591 0.000 1.264 5451 F CB -0.601 38.822 39.000 0.705 0.000 1.011 5451 F HN -0.236 nan 8.300 nan 0.000 0.487 5452 T N 0.266 115.265 114.554 0.741 0.000 2.701 5452 T HA -0.239 4.109 4.350 -0.003 0.000 0.263 5452 T C 1.548 176.387 174.700 0.231 0.000 1.040 5452 T CA 1.442 63.829 62.100 0.478 0.000 1.147 5452 T CB -0.859 68.202 68.868 0.321 0.000 0.865 5452 T HN 0.380 nan 8.240 nan 0.000 0.426 5453 F N 2.192 122.153 119.950 0.019 0.000 2.494 5453 F HA 0.141 4.665 4.527 -0.004 0.000 0.298 5453 F C 2.044 177.758 175.800 -0.145 0.000 1.106 5453 F CA 0.116 58.059 58.000 -0.096 0.000 1.452 5453 F CB -0.564 38.377 39.000 -0.097 0.000 1.085 5453 F HN 0.127 nan 8.300 nan 0.000 0.569 5454 A N -0.092 122.605 122.820 -0.204 0.000 1.843 5454 A HA -0.099 4.219 4.320 -0.003 0.000 0.213 5454 A C 0.978 178.201 177.584 -0.601 0.000 1.239 5454 A CA 1.024 52.709 52.037 -0.586 0.000 0.606 5454 A CB -1.192 17.516 19.000 -0.486 0.000 0.903 5454 A HN 0.491 nan 8.150 nan 0.000 0.455 5455 H N 0.004 118.936 119.070 -0.231 0.000 3.262 5455 H HA 0.545 5.099 4.556 -0.003 0.000 0.270 5455 H C 0.802 175.975 175.328 -0.258 0.000 1.431 5455 H CA 0.336 56.286 56.048 -0.164 0.000 1.237 5455 H CB -0.237 29.420 29.762 -0.175 0.000 1.443 5455 H HN 0.497 nan 8.280 nan 0.000 0.609 5456 A N -0.322 122.323 122.820 -0.291 0.000 1.878 5456 A HA 0.114 4.432 4.320 -0.003 0.000 0.188 5456 A C 1.915 179.309 177.584 -0.316 0.000 2.104 5456 A CA 0.185 52.039 52.037 -0.305 0.000 1.140 5456 A CB -0.253 18.586 19.000 -0.269 0.000 1.057 5456 A HN 0.234 nan 8.150 nan 0.000 0.646 5457 V N 0.494 120.131 119.914 -0.462 0.000 2.594 5457 V HA -0.184 3.933 4.120 -0.003 0.000 0.253 5457 V C 2.286 178.276 176.094 -0.174 0.000 1.069 5457 V CA 1.856 63.944 62.300 -0.354 0.000 1.082 5457 V CB -1.099 30.377 31.823 -0.579 0.000 0.680 5457 V HN 0.482 nan 8.190 nan 0.000 0.469 5458 F N 1.088 120.880 119.950 -0.263 0.000 2.060 5458 F HA -0.057 4.468 4.527 -0.003 0.000 0.295 5458 F C 2.489 178.247 175.800 -0.071 0.000 1.120 5458 F CA 1.154 59.048 58.000 -0.175 0.000 1.205 5458 F CB -1.412 37.376 39.000 -0.355 0.000 0.986 5458 F HN 0.117 nan 8.300 nan 0.000 0.470 5459 A N -0.261 122.542 122.820 -0.028 0.000 1.930 5459 A HA -0.140 4.178 4.320 -0.003 0.000 0.217 5459 A C 2.234 179.913 177.584 0.158 0.000 1.175 5459 A CA 1.235 53.227 52.037 -0.074 0.000 0.627 5459 A CB -1.176 17.422 19.000 -0.669 0.000 0.815 5459 A HN 0.427 nan 8.150 nan 0.000 0.443 5460 L N -0.881 120.396 121.223 0.092 0.000 2.362 5460 L HA -0.045 4.293 4.340 -0.003 0.000 0.219 5460 L C 2.047 179.101 176.870 0.306 0.000 1.134 5460 L CA 0.719 55.727 54.840 0.280 0.000 0.807 5460 L CB -0.086 42.085 42.059 0.186 0.000 0.927 5460 L HN 0.411 nan 8.230 nan 0.000 0.447 5461 L N -2.194 119.229 121.223 0.334 0.000 2.200 5461 L HA -0.069 4.269 4.340 -0.003 0.000 0.200 5461 L C 2.185 179.331 176.870 0.460 0.000 1.072 5461 L CA 0.686 55.748 54.840 0.370 0.000 0.787 5461 L CB -0.453 41.797 42.059 0.319 0.000 0.957 5461 L HN 0.082 nan 8.230 nan 0.000 0.459 5462 F N 0.234 120.346 119.950 0.270 0.000 2.147 5462 F HA -0.357 4.168 4.527 -0.004 0.000 0.301 5462 F C 2.379 178.370 175.800 0.319 0.000 1.084 5462 F CA 1.907 60.087 58.000 0.299 0.000 1.268 5462 F CB -0.376 38.837 39.000 0.354 0.000 1.009 5462 F HN 0.130 nan 8.300 nan 0.000 0.486 5463 F N -0.721 119.274 119.950 0.075 0.000 2.408 5463 F HA -0.222 4.303 4.527 -0.004 0.000 0.300 5463 F C 1.866 177.728 175.800 0.103 0.000 1.090 5463 F CA 0.838 58.705 58.000 -0.223 0.000 1.427 5463 F CB -0.782 37.759 39.000 -0.764 0.000 1.070 5463 F HN 0.010 nan 8.300 nan 0.000 0.549 5464 F N 1.404 121.250 119.950 -0.173 0.000 2.293 5464 F HA 0.229 4.755 4.527 -0.002 0.000 0.297 5464 F C 2.190 177.856 175.800 -0.224 0.000 1.089 5464 F CA 1.161 58.941 58.000 -0.367 0.000 1.377 5464 F CB -0.851 38.099 39.000 -0.084 0.000 1.051 5464 F HN -0.015 nan 8.300 nan 0.000 0.511 5465 G N -0.913 107.729 108.800 -0.264 0.000 2.402 5465 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.216 5465 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.216 5465 G C 1.479 176.236 174.900 -0.237 0.000 1.162 5465 G CA 1.030 45.927 45.100 -0.339 0.000 0.777 5465 G HN 0.514 nan 8.290 nan 0.000 0.539 5466 H N 0.860 119.861 119.070 -0.115 0.000 2.289 5466 H HA -0.001 4.553 4.556 -0.004 0.000 0.296 5466 H C 2.391 177.610 175.328 -0.182 0.000 1.091 5466 H CA 1.751 57.797 56.048 -0.004 0.000 1.274 5466 H CB -0.356 29.555 29.762 0.249 0.000 1.364 5466 H HN 0.291 nan 8.280 nan 0.000 0.490 5467 I N -0.214 119.975 120.570 -0.635 0.000 2.493 5467 I HA -0.251 3.916 4.170 -0.003 0.000 0.254 5467 I C 2.384 178.137 176.117 -0.607 0.000 1.160 5467 I CA 0.931 61.825 61.300 -0.675 0.000 1.445 5467 I CB -0.326 37.264 38.000 -0.684 0.000 1.086 5467 I HN 0.542 nan 8.210 nan 0.000 0.433 5468 W N 1.290 122.055 121.300 -0.891 0.000 2.441 5468 W HA -0.147 4.511 4.660 -0.003 0.000 0.302 5468 W C 2.381 178.593 176.519 -0.511 0.000 1.191 5468 W CA 1.230 58.103 57.345 -0.785 0.000 1.327 5468 W CB -0.408 28.441 29.460 -1.019 0.000 1.128 5468 W HN 0.194 nan 8.180 nan 0.000 0.522 5469 H N -0.084 118.784 119.070 -0.336 0.000 2.403 5469 H HA 0.018 4.572 4.556 -0.003 0.000 0.298 5469 H C 2.521 177.602 175.328 -0.411 0.000 1.059 5469 H CA 1.521 57.356 56.048 -0.355 0.000 1.363 5469 H CB -1.090 28.607 29.762 -0.108 0.000 1.410 5469 H HN 0.242 nan 8.280 nan 0.000 0.528 5470 G N 0.560 109.179 108.800 -0.302 0.000 2.440 5470 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.218 5470 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.218 5470 G C 1.934 176.619 174.900 -0.358 0.000 1.154 5470 G CA 1.311 46.219 45.100 -0.320 0.000 0.767 5470 G HN 0.509 nan 8.290 nan 0.000 0.552 5471 A N -0.142 122.363 122.820 -0.526 0.000 2.014 5471 A HA 0.106 4.424 4.320 -0.003 0.000 0.218 5471 A C 2.273 179.459 177.584 -0.664 0.000 1.163 5471 A CA 1.435 53.056 52.037 -0.694 0.000 0.652 5471 A CB -0.222 18.323 19.000 -0.759 0.000 0.808 5471 A HN 0.287 nan 8.150 nan 0.000 0.449 5472 R N -0.818 119.280 120.500 -0.670 0.000 2.317 5472 R HA 0.051 4.389 4.340 -0.003 0.000 0.208 5472 R C 1.168 177.224 176.300 -0.407 0.000 0.914 5472 R CA 1.049 56.772 56.100 -0.629 0.000 1.060 5472 R CB -0.217 29.575 30.300 -0.847 0.000 1.015 5472 R HN 0.446 nan 8.270 nan 0.000 0.498 5473 T N 0.934 115.323 114.554 -0.276 0.000 2.837 5473 T HA 0.093 4.441 4.350 -0.003 0.000 0.248 5473 T C 1.814 176.469 174.700 -0.076 0.000 1.033 5473 T CA 0.656 62.653 62.100 -0.171 0.000 1.150 5473 T CB 0.061 68.849 68.868 -0.133 0.000 0.865 5473 T HN 0.114 nan 8.240 nan 0.000 0.425 5474 L N -0.126 121.108 121.223 0.019 0.000 2.093 5474 L HA 0.114 4.451 4.340 -0.003 0.000 0.208 5474 L C 1.330 178.400 176.870 0.333 0.000 1.085 5474 L CA 1.349 56.310 54.840 0.202 0.000 0.755 5474 L CB -0.399 41.879 42.059 0.365 0.000 0.904 5474 L HN 0.288 nan 8.230 nan 0.000 0.435 5475 F N 0.083 119.946 119.950 -0.146 0.000 2.730 5475 F HA 0.124 4.650 4.527 -0.003 0.000 0.295 5475 F C 1.731 177.481 175.800 -0.084 0.000 1.143 5475 F CA -0.784 57.157 58.000 -0.097 0.000 1.367 5475 F CB -0.043 38.905 39.000 -0.086 0.000 0.970 5475 F HN 0.071 nan 8.300 nan 0.000 0.514 5476 R N -0.453 120.062 120.500 0.025 0.000 2.355 5476 R HA -0.149 4.189 4.340 -0.003 0.000 0.219 5476 R C 0.707 177.049 176.300 0.071 0.000 1.107 5476 R CA 1.519 57.579 56.100 -0.067 0.000 1.021 5476 R CB -0.804 29.427 30.300 -0.116 0.000 0.852 5476 R HN 0.192 nan 8.270 nan 0.000 0.475 5477 D N 0.733 121.174 120.400 0.068 0.000 2.146 5477 D HA -0.054 4.583 4.640 -0.003 0.000 0.209 5477 D C 1.976 178.333 176.300 0.094 0.000 0.973 5477 D CA 1.373 55.405 54.000 0.053 0.000 0.860 5477 D CB -0.365 40.426 40.800 -0.015 0.000 1.015 5477 D HN 0.169 nan 8.370 nan 0.000 0.465 5478 V N 1.314 121.290 119.914 0.103 0.000 2.809 5478 V HA -0.160 3.958 4.120 -0.003 0.000 0.256 5478 V C 2.187 178.387 176.094 0.176 0.000 1.080 5478 V CA 0.688 63.057 62.300 0.115 0.000 1.102 5478 V CB -0.957 30.937 31.823 0.118 0.000 0.705 5478 V HN 0.057 nan 8.190 nan 0.000 0.475 5479 F N 1.618 121.590 119.950 0.037 0.000 2.064 5479 F HA -0.402 4.123 4.527 -0.003 0.000 0.293 5479 F C 2.550 178.364 175.800 0.023 0.000 1.086 5479 F CA 2.307 60.318 58.000 0.019 0.000 1.242 5479 F CB -0.069 38.934 39.000 0.005 0.000 0.970 5479 F HN 0.180 nan 8.300 nan 0.000 0.494 5480 S N -0.791 114.930 115.700 0.035 0.000 2.335 5480 S HA 0.110 4.578 4.470 -0.003 0.000 0.216 5480 S C 0.854 175.412 174.600 -0.070 0.000 1.032 5480 S CA 0.962 59.114 58.200 -0.080 0.000 1.000 5480 S CB -0.597 62.605 63.200 0.003 0.000 0.928 5480 S HN 0.632 nan 8.310 nan 0.000 0.434 5481 G N -0.276 108.516 108.800 -0.013 0.000 2.721 5481 G HA2 0.502 4.460 3.960 -0.003 0.000 0.296 5481 G HA3 0.502 4.460 3.960 -0.003 0.000 0.296 5481 G C 0.206 175.114 174.900 0.013 0.000 1.383 5481 G CA -0.442 44.653 45.100 -0.008 0.000 0.788 5481 G HN 0.260 nan 8.290 nan 0.000 0.500 5482 I N -2.745 117.832 120.570 0.012 0.000 3.226 5482 I HA 0.319 4.487 4.170 -0.003 0.000 0.277 5482 I C 0.385 176.509 176.117 0.011 0.000 1.243 5482 I CA 0.651 61.962 61.300 0.017 0.000 1.459 5482 I CB 0.312 38.322 38.000 0.017 0.000 1.093 5482 I HN 0.510 nan 8.210 nan 0.000 0.453 5483 D N 0.876 121.280 120.400 0.007 0.000 3.554 5483 D HA -0.087 4.551 4.640 -0.003 0.000 0.216 5483 D C -1.598 174.703 176.300 0.002 0.000 1.171 5483 D CA 0.140 54.142 54.000 0.004 0.000 0.783 5483 D CB -0.538 40.263 40.800 0.001 0.000 0.558 5483 D HN 0.081 nan 8.370 nan 0.000 0.257 5484 P HA -0.235 nan 4.420 nan 0.000 0.223 5484 P C 0.404 177.705 177.300 0.001 0.000 1.153 5484 P CA 2.012 65.113 63.100 0.002 0.000 0.853 5484 P CB 0.081 31.782 31.700 0.001 0.000 0.777 5485 E N 0.486 120.686 120.200 0.001 0.000 2.373 5485 E HA 0.312 4.659 4.350 -0.003 0.000 0.267 5485 E C -0.049 176.551 176.600 0.001 0.000 1.032 5485 E CA -0.392 56.008 56.400 -0.000 0.000 0.889 5485 E CB 0.073 29.772 29.700 -0.002 0.000 0.984 5485 E HN 0.194 nan 8.360 nan 0.000 0.425 5486 L N -0.004 121.220 121.223 0.001 0.000 2.510 5486 L HA 0.728 5.066 4.340 -0.003 0.000 0.252 5486 L C 0.293 177.164 176.870 0.001 0.000 1.091 5486 L CA -0.917 53.924 54.840 0.002 0.000 0.888 5486 L CB 1.250 43.311 42.059 0.003 0.000 1.507 5486 L HN 0.615 nan 8.230 nan 0.000 0.407 5487 S N -1.861 113.840 115.700 0.002 0.000 2.000 5487 S HA -0.104 4.363 4.470 -0.003 0.000 0.243 5487 S C -2.015 172.586 174.600 0.001 0.000 1.092 5487 S CA 0.947 59.148 58.200 0.002 0.000 1.426 5487 S CB -2.235 60.966 63.200 0.002 0.000 1.779 5487 S HN 0.928 nan 8.310 nan 0.000 0.565 5488 P HA 0.594 nan 4.420 nan 0.000 0.292 5488 P C -0.198 177.101 177.300 -0.001 0.000 1.326 5488 P CA 0.682 63.781 63.100 -0.001 0.000 0.787 5488 P CB 0.952 32.650 31.700 -0.003 0.000 0.903 5489 E N 0.000 120.200 120.200 0.000 0.000 2.725 5489 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 5489 E CA 0.000 56.401 56.400 0.001 0.000 0.976 5489 E CB 0.000 29.701 29.700 0.001 0.000 0.812 5489 E HN 0.000 nan 8.360 nan 0.000 0.440