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 2axt_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 3.957 3.960 -0.005 0.000 0.244 5002 G C 0.000 174.882 174.900 -0.029 0.000 0.946 5002 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 5003 L N 2.915 124.113 121.223 -0.042 0.000 2.334 5003 L HA 0.844 5.181 4.340 -0.005 0.000 0.276 5003 L C -2.028 174.758 176.870 -0.141 0.000 1.014 5003 L CA -2.178 52.613 54.840 -0.082 0.000 0.815 5003 L CB 1.304 43.329 42.059 -0.057 0.000 1.268 5003 L HN 0.377 nan 8.230 nan 0.000 0.428 5004 P HA 0.079 nan 4.420 nan 0.000 0.272 5004 P C 0.368 177.381 177.300 -0.478 0.000 1.230 5004 P CA -0.279 62.513 63.100 -0.513 0.000 0.788 5004 P CB 0.214 31.195 31.700 -1.198 0.000 0.949 5005 W N 1.537 122.671 121.300 -0.276 0.000 2.363 5005 W HA -0.171 4.485 4.660 -0.006 0.000 0.296 5005 W C 0.971 177.409 176.519 -0.135 0.000 1.212 5005 W CA 0.802 58.063 57.345 -0.139 0.000 1.260 5005 W CB -1.791 27.652 29.460 -0.028 0.000 1.131 5005 W HN 0.424 nan 8.180 nan 0.000 0.530 5006 Y N 0.814 120.473 120.300 -1.069 0.000 2.488 5006 Y HA 0.381 4.928 4.550 -0.005 0.000 0.319 5006 Y C 1.882 177.556 175.900 -0.377 0.000 1.212 5006 Y CA 0.053 57.593 58.100 -0.934 0.000 1.273 5006 Y CB -0.898 36.711 38.460 -1.419 0.000 1.074 5006 Y HN -0.087 nan 8.280 nan 0.000 0.503 5007 R N -0.481 119.776 120.500 -0.404 0.000 2.556 5007 R HA 0.086 4.423 4.340 -0.005 0.000 0.276 5007 R C 1.981 178.240 176.300 -0.069 0.000 0.931 5007 R CA 0.770 56.766 56.100 -0.173 0.000 1.061 5007 R CB 0.252 30.423 30.300 -0.215 0.000 1.432 5007 R HN 0.339 nan 8.270 nan 0.000 0.547 5008 V N -0.653 119.209 119.914 -0.087 0.000 2.353 5008 V HA -0.364 3.753 4.120 -0.005 0.000 0.260 5008 V C 1.380 177.559 176.094 0.141 0.000 1.091 5008 V CA 2.036 64.342 62.300 0.010 0.000 1.088 5008 V CB -0.980 30.847 31.823 0.007 0.000 0.672 5008 V HN 0.431 nan 8.190 nan 0.000 0.455 5009 H N 0.173 119.271 119.070 0.048 0.000 2.556 5009 H HA 0.065 4.618 4.556 -0.005 0.000 0.273 5009 H C 1.951 177.303 175.328 0.039 0.000 1.030 5009 H CA 0.427 56.511 56.048 0.060 0.000 1.156 5009 H CB 0.008 29.817 29.762 0.077 0.000 1.326 5009 H HN 0.557 nan 8.280 nan 0.000 0.609 5010 T N -0.300 114.333 114.554 0.132 0.000 2.985 5010 T HA -0.104 4.243 4.350 -0.005 0.000 0.266 5010 T C 1.944 176.657 174.700 0.021 0.000 1.076 5010 T CA 0.353 62.491 62.100 0.064 0.000 1.135 5010 T CB -0.085 68.807 68.868 0.039 0.000 0.890 5010 T HN 0.201 nan 8.240 nan 0.000 0.480 5011 V N 1.431 121.361 119.914 0.027 0.000 3.398 5011 V HA 0.053 4.169 4.120 -0.005 0.000 0.275 5011 V C 1.145 177.198 176.094 -0.068 0.000 1.207 5011 V CA 1.201 63.487 62.300 -0.023 0.000 1.189 5011 V CB -0.882 30.941 31.823 -0.001 0.000 0.838 5011 V HN 0.522 nan 8.190 nan 0.000 0.546 5012 L N -1.407 119.787 121.223 -0.048 0.000 2.966 5012 L HA 0.287 4.624 4.340 -0.005 0.000 0.262 5012 L C 1.778 178.585 176.870 -0.103 0.000 1.165 5012 L CA -0.041 54.744 54.840 -0.092 0.000 0.978 5012 L CB 0.155 42.175 42.059 -0.065 0.000 1.337 5012 L HN 0.177 nan 8.230 nan 0.000 0.563 5013 I N 1.998 122.523 120.570 -0.075 0.000 2.800 5013 I HA -0.216 3.951 4.170 -0.005 0.000 0.266 5013 I C 0.623 176.684 176.117 -0.094 0.000 1.249 5013 I CA 1.168 62.421 61.300 -0.078 0.000 1.458 5013 I CB -0.421 37.541 38.000 -0.063 0.000 1.093 5013 I HN 0.570 nan 8.210 nan 0.000 0.466 5014 N N -0.570 118.065 118.700 -0.109 0.000 2.577 5014 N HA 0.047 4.784 4.740 -0.005 0.000 0.285 5014 N C -0.623 174.807 175.510 -0.133 0.000 1.658 5014 N CA -0.168 52.819 53.050 -0.105 0.000 0.865 5014 N CB -0.026 38.419 38.487 -0.071 0.000 1.419 5014 N HN 0.016 nan 8.380 nan 0.000 0.495 5015 D N 0.913 121.201 120.400 -0.186 0.000 2.772 5015 D HA 0.326 4.962 4.640 -0.005 0.000 0.326 5015 D C -1.854 174.266 176.300 -0.301 0.000 1.207 5015 D CA -1.575 52.291 54.000 -0.224 0.000 0.777 5015 D CB 1.335 41.954 40.800 -0.300 0.000 1.169 5015 D HN -0.046 nan 8.370 nan 0.000 0.506 5016 P HA -0.157 nan 4.420 nan 0.000 0.219 5016 P C 1.257 178.116 177.300 -0.735 0.000 1.147 5016 P CA 1.254 63.940 63.100 -0.691 0.000 0.821 5016 P CB 0.412 31.486 31.700 -1.044 0.000 0.771 5017 G N -0.500 107.995 108.800 -0.508 0.000 2.425 5017 G HA2 -0.161 3.796 3.960 -0.005 0.000 0.213 5017 G HA3 -0.161 3.796 3.960 -0.005 0.000 0.213 5017 G C 1.467 176.368 174.900 0.002 0.000 1.201 5017 G CA 0.179 45.268 45.100 -0.018 0.000 0.799 5017 G HN 0.121 nan 8.290 nan 0.000 0.534 5018 R N -0.036 120.394 120.500 -0.118 0.000 2.316 5018 R HA 0.164 4.501 4.340 -0.005 0.000 0.202 5018 R C 2.052 178.353 176.300 0.001 0.000 1.029 5018 R CA 0.136 56.161 56.100 -0.124 0.000 1.018 5018 R CB -0.672 29.306 30.300 -0.536 0.000 0.888 5018 R HN 0.403 nan 8.270 nan 0.000 0.471 5019 L N -0.095 121.046 121.223 -0.138 0.000 2.200 5019 L HA 0.163 4.500 4.340 -0.005 0.000 0.200 5019 L C 1.999 178.703 176.870 -0.277 0.000 1.072 5019 L CA 1.081 55.776 54.840 -0.241 0.000 0.787 5019 L CB -0.124 41.725 42.059 -0.349 0.000 0.957 5019 L HN -0.052 nan 8.230 nan 0.000 0.459 5020 I N -0.342 120.105 120.570 -0.206 0.000 2.361 5020 I HA -0.266 3.901 4.170 -0.005 0.000 0.251 5020 I C 2.477 178.621 176.117 0.044 0.000 1.133 5020 I CA 1.056 62.285 61.300 -0.118 0.000 1.413 5020 I CB -0.371 37.530 38.000 -0.164 0.000 1.073 5020 I HN 0.347 nan 8.210 nan 0.000 0.424 5021 A N 0.650 123.551 122.820 0.135 0.000 1.873 5021 A HA -0.149 4.168 4.320 -0.005 0.000 0.215 5021 A C 2.531 180.248 177.584 0.222 0.000 1.186 5021 A CA 1.749 53.958 52.037 0.286 0.000 0.616 5021 A CB -0.820 18.495 19.000 0.525 0.000 0.823 5021 A HN 0.410 nan 8.150 nan 0.000 0.442 5022 A N -0.511 122.426 122.820 0.195 0.000 1.841 5022 A HA -0.224 4.093 4.320 -0.005 0.000 0.216 5022 A C 1.938 179.657 177.584 0.226 0.000 1.199 5022 A CA 1.662 53.791 52.037 0.153 0.000 0.621 5022 A CB -1.334 17.733 19.000 0.111 0.000 0.835 5022 A HN 0.735 nan 8.150 nan 0.000 0.445 5023 H N -0.868 118.231 119.070 0.049 0.000 2.426 5023 H HA -0.108 4.444 4.556 -0.005 0.000 0.298 5023 H C 2.018 177.409 175.328 0.105 0.000 1.107 5023 H CA 1.093 57.173 56.048 0.054 0.000 1.298 5023 H CB -0.159 29.614 29.762 0.019 0.000 1.377 5023 H HN 0.353 nan 8.280 nan 0.000 0.519 5024 L N -0.101 121.264 121.223 0.237 0.000 2.093 5024 L HA -0.188 4.148 4.340 -0.005 0.000 0.208 5024 L C 2.531 179.511 176.870 0.183 0.000 1.085 5024 L CA 0.638 55.597 54.840 0.198 0.000 0.755 5024 L CB -0.067 42.116 42.059 0.206 0.000 0.904 5024 L HN 0.293 nan 8.230 nan 0.000 0.435 5025 M N -1.341 118.360 119.600 0.169 0.000 2.254 5025 M HA -0.207 4.270 4.480 -0.005 0.000 0.265 5025 M C 2.224 178.622 176.300 0.162 0.000 1.066 5025 M CA 1.654 57.046 55.300 0.153 0.000 1.123 5025 M CB -0.653 32.004 32.600 0.094 0.000 1.388 5025 M HN 0.201 nan 8.290 nan 0.000 0.425 5026 H N -0.986 118.129 119.070 0.076 0.000 2.299 5026 H HA -0.090 4.463 4.556 -0.006 0.000 0.302 5026 H C 1.394 176.753 175.328 0.052 0.000 1.078 5026 H CA 2.113 58.186 56.048 0.042 0.000 1.323 5026 H CB -0.097 29.660 29.762 -0.008 0.000 1.381 5026 H HN 0.328 nan 8.280 nan 0.000 0.498 5027 T N 1.259 115.935 114.554 0.204 0.000 2.580 5027 T HA -0.187 4.159 4.350 -0.005 0.000 0.265 5027 T C 2.237 176.997 174.700 0.100 0.000 1.063 5027 T CA 1.856 64.041 62.100 0.141 0.000 1.170 5027 T CB -0.907 68.045 68.868 0.141 0.000 0.863 5027 T HN 0.520 nan 8.240 nan 0.000 0.418 5028 A N 1.271 124.170 122.820 0.132 0.000 1.940 5028 A HA -0.167 4.149 4.320 -0.005 0.000 0.221 5028 A C 2.360 180.016 177.584 0.119 0.000 1.190 5028 A CA 1.739 53.866 52.037 0.149 0.000 0.647 5028 A CB -1.097 18.033 19.000 0.216 0.000 0.821 5028 A HN 0.518 nan 8.150 nan 0.000 0.457 5029 L N -0.866 120.398 121.223 0.068 0.000 2.056 5029 L HA -0.135 4.202 4.340 -0.005 0.000 0.207 5029 L C 2.462 179.362 176.870 0.052 0.000 1.078 5029 L CA 1.156 56.016 54.840 0.035 0.000 0.749 5029 L CB -0.552 41.481 42.059 -0.043 0.000 0.901 5029 L HN 0.273 nan 8.230 nan 0.000 0.433 5030 V N 0.008 119.905 119.914 -0.028 0.000 2.720 5030 V HA -0.227 3.890 4.120 -0.005 0.000 0.256 5030 V C 2.532 178.767 176.094 0.235 0.000 1.082 5030 V CA 1.550 63.873 62.300 0.038 0.000 1.101 5030 V CB -0.693 31.094 31.823 -0.059 0.000 0.693 5030 V HN 0.452 nan 8.190 nan 0.000 0.479 5031 A N 0.386 123.332 122.820 0.209 0.000 1.878 5031 A HA 0.145 4.462 4.320 -0.005 0.000 0.213 5031 A C 2.403 180.149 177.584 0.270 0.000 1.192 5031 A CA 1.317 53.529 52.037 0.292 0.000 0.619 5031 A CB -1.154 17.963 19.000 0.196 0.000 0.837 5031 A HN 0.450 nan 8.150 nan 0.000 0.446 5032 G N -0.796 108.121 108.800 0.196 0.000 2.586 5032 G HA2 -0.376 3.580 3.960 -0.005 0.000 0.218 5032 G HA3 -0.376 3.580 3.960 -0.005 0.000 0.218 5032 G C 1.428 176.425 174.900 0.161 0.000 1.216 5032 G CA 1.347 46.536 45.100 0.147 0.000 0.786 5032 G HN 0.715 nan 8.290 nan 0.000 0.583 5033 W N 2.027 123.338 121.300 0.017 0.000 2.305 5033 W HA -0.104 4.553 4.660 -0.005 0.000 0.308 5033 W C 2.802 179.329 176.519 0.013 0.000 1.226 5033 W CA 2.788 60.137 57.345 0.006 0.000 1.253 5033 W CB -0.264 29.191 29.460 -0.010 0.000 1.146 5033 W HN 0.338 nan 8.180 nan 0.000 0.507 5034 A N 0.775 123.780 122.820 0.307 0.000 1.859 5034 A HA -0.148 4.169 4.320 -0.005 0.000 0.217 5034 A C 2.240 179.622 177.584 -0.338 0.000 1.198 5034 A CA 2.449 54.490 52.037 0.006 0.000 0.629 5034 A CB -1.780 17.346 19.000 0.211 0.000 0.830 5034 A HN 0.482 nan 8.150 nan 0.000 0.446 5035 G N -1.622 107.073 108.800 -0.175 0.000 2.421 5035 G HA2 -0.018 3.939 3.960 -0.005 0.000 0.217 5035 G HA3 -0.018 3.939 3.960 -0.005 0.000 0.217 5035 G C 1.794 176.592 174.900 -0.171 0.000 1.143 5035 G CA 1.180 46.185 45.100 -0.158 0.000 0.784 5035 G HN 0.466 nan 8.290 nan 0.000 0.541 5036 S N 0.178 115.767 115.700 -0.185 0.000 2.359 5036 S HA -0.219 4.248 4.470 -0.005 0.000 0.222 5036 S C 2.310 176.737 174.600 -0.287 0.000 1.038 5036 S CA 1.928 60.010 58.200 -0.198 0.000 1.051 5036 S CB -0.291 62.789 63.200 -0.199 0.000 0.944 5036 S HN 0.344 nan 8.310 nan 0.000 0.433 5037 M N 1.812 121.061 119.600 -0.585 0.000 2.073 5037 M HA -0.122 4.355 4.480 -0.005 0.000 0.258 5037 M C 2.002 178.162 176.300 -0.232 0.000 1.070 5037 M CA 1.848 56.828 55.300 -0.533 0.000 1.103 5037 M CB -0.976 31.015 32.600 -1.014 0.000 1.321 5037 M HN 0.284 nan 8.290 nan 0.000 0.405 5038 A N 0.164 122.823 122.820 -0.269 0.000 1.881 5038 A HA -0.255 4.062 4.320 -0.005 0.000 0.219 5038 A C 2.188 179.715 177.584 -0.096 0.000 1.215 5038 A CA 2.475 54.413 52.037 -0.166 0.000 0.648 5038 A CB -1.492 17.410 19.000 -0.162 0.000 0.832 5038 A HN 0.620 nan 8.150 nan 0.000 0.455 5039 L N -2.352 118.828 121.223 -0.072 0.000 2.013 5039 L HA -0.255 4.082 4.340 -0.005 0.000 0.212 5039 L C 2.645 179.526 176.870 0.019 0.000 1.073 5039 L CA 2.157 56.984 54.840 -0.023 0.000 0.753 5039 L CB -0.851 41.204 42.059 -0.008 0.000 0.890 5039 L HN 0.623 nan 8.230 nan 0.000 0.432 5040 Y N 1.184 121.427 120.300 -0.095 0.000 2.114 5040 Y HA -0.292 4.254 4.550 -0.005 0.000 0.282 5040 Y C 2.511 178.382 175.900 -0.048 0.000 1.165 5040 Y CA 1.873 59.931 58.100 -0.070 0.000 1.148 5040 Y CB -0.231 38.175 38.460 -0.090 0.000 0.972 5040 Y HN 0.218 nan 8.280 nan 0.000 0.504 5041 E N -0.137 120.019 120.200 -0.074 0.000 2.106 5041 E HA -0.168 4.178 4.350 -0.005 0.000 0.192 5041 E C 2.216 178.751 176.600 -0.109 0.000 0.984 5041 E CA 1.276 57.587 56.400 -0.149 0.000 0.806 5041 E CB -0.267 29.379 29.700 -0.090 0.000 0.750 5041 E HN 0.496 nan 8.360 nan 0.000 0.458 5042 L N 0.468 121.646 121.223 -0.074 0.000 2.201 5042 L HA -0.082 4.255 4.340 -0.005 0.000 0.212 5042 L C 2.314 179.196 176.870 0.019 0.000 1.105 5042 L CA 0.612 55.459 54.840 0.012 0.000 0.775 5042 L CB -0.232 41.840 42.059 0.022 0.000 0.913 5042 L HN 0.098 nan 8.230 nan 0.000 0.440 5043 A N -0.768 122.018 122.820 -0.057 0.000 2.235 5043 A HA -0.037 4.280 4.320 -0.005 0.000 0.208 5043 A C 1.809 179.313 177.584 -0.133 0.000 1.172 5043 A CA 1.438 53.432 52.037 -0.071 0.000 0.786 5043 A CB -0.494 18.465 19.000 -0.069 0.000 0.804 5043 A HN 0.490 nan 8.150 nan 0.000 0.479 5044 T N -5.377 109.074 114.554 -0.170 0.000 3.131 5044 T HA 0.270 4.616 4.350 -0.005 0.000 0.283 5044 T C 0.017 174.636 174.700 -0.134 0.000 0.906 5044 T CA -0.370 61.613 62.100 -0.196 0.000 0.882 5044 T CB -0.576 68.090 68.868 -0.337 0.000 1.208 5044 T HN 0.162 nan 8.240 nan 0.000 0.561 5045 F N 3.687 123.499 119.950 -0.230 0.000 2.456 5045 F HA 0.541 5.065 4.527 -0.006 0.000 0.358 5045 F C -0.173 175.444 175.800 -0.305 0.000 1.095 5045 F CA -1.230 56.620 58.000 -0.249 0.000 1.216 5045 F CB 0.728 39.574 39.000 -0.257 0.000 1.125 5045 F HN 0.006 nan 8.300 nan 0.000 0.549 5046 D N 8.235 127.883 120.400 -1.253 0.000 2.329 5046 D HA 0.275 4.912 4.640 -0.005 0.000 0.232 5046 D C -2.112 173.174 176.300 -1.690 0.000 1.088 5046 D CA -2.301 51.026 54.000 -1.122 0.000 0.835 5046 D CB 1.952 42.376 40.800 -0.627 0.000 1.078 5046 D HN 0.341 nan 8.370 nan 0.000 0.495 5047 P HA -0.015 nan 4.420 nan 0.000 0.257 5047 P C 1.091 178.092 177.300 -0.498 0.000 1.241 5047 P CA 0.122 62.598 63.100 -1.041 0.000 0.816 5047 P CB 0.217 31.036 31.700 -1.468 0.000 1.150 5048 S N -0.256 115.170 115.700 -0.457 0.000 2.462 5048 S HA -0.162 4.305 4.470 -0.005 0.000 0.243 5048 S C 0.586 175.083 174.600 -0.173 0.000 1.003 5048 S CA 1.216 59.262 58.200 -0.258 0.000 0.970 5048 S CB -0.955 62.102 63.200 -0.238 0.000 0.762 5048 S HN 0.210 nan 8.310 nan 0.000 0.510 5049 D N 0.366 120.653 120.400 -0.188 0.000 2.354 5049 D HA 0.289 4.925 4.640 -0.005 0.000 0.230 5049 D C -2.673 173.574 176.300 -0.089 0.000 1.361 5049 D CA -1.474 52.456 54.000 -0.117 0.000 0.992 5049 D CB 1.750 42.471 40.800 -0.132 0.000 1.409 5049 D HN -0.027 nan 8.370 nan 0.000 0.573 5050 P HA 0.055 nan 4.420 nan 0.000 0.257 5050 P C 0.608 177.940 177.300 0.053 0.000 1.281 5050 P CA -0.004 63.132 63.100 0.060 0.000 0.826 5050 P CB 0.753 32.541 31.700 0.147 0.000 1.237 5051 V N -0.226 119.680 119.914 -0.013 0.000 2.490 5051 V HA 0.040 4.157 4.120 -0.005 0.000 0.238 5051 V C 2.319 178.332 176.094 -0.135 0.000 1.056 5051 V CA 1.044 63.327 62.300 -0.028 0.000 1.075 5051 V CB -0.629 31.173 31.823 -0.036 0.000 0.746 5051 V HN -0.012 nan 8.190 nan 0.000 0.479 5052 L N -0.090 120.982 121.223 -0.251 0.000 2.693 5052 L HA 0.343 4.680 4.340 -0.005 0.000 0.235 5052 L C 0.606 177.260 176.870 -0.360 0.000 1.127 5052 L CA 0.384 54.900 54.840 -0.540 0.000 0.914 5052 L CB 0.195 41.897 42.059 -0.595 0.000 1.193 5052 L HN 0.351 nan 8.230 nan 0.000 0.502 5053 N N 0.624 119.184 118.700 -0.233 0.000 2.672 5053 N HA 0.180 4.917 4.740 -0.005 0.000 0.295 5053 N C -2.632 172.744 175.510 -0.224 0.000 1.924 5053 N CA -1.452 51.467 53.050 -0.219 0.000 0.851 5053 N CB 1.115 39.482 38.487 -0.200 0.000 1.281 5053 N HN -0.080 nan 8.380 nan 0.000 0.494 5054 P HA 0.047 nan 4.420 nan 0.000 0.274 5054 P C 1.320 178.484 177.300 -0.226 0.000 1.246 5054 P CA -0.345 62.623 63.100 -0.219 0.000 0.795 5054 P CB 0.813 32.358 31.700 -0.260 0.000 1.006 5055 M N 0.445 120.078 119.600 0.055 0.000 2.146 5055 M HA -0.166 4.311 4.480 -0.005 0.000 0.256 5055 M C 1.792 178.126 176.300 0.057 0.000 1.075 5055 M CA 2.191 57.564 55.300 0.121 0.000 1.082 5055 M CB -1.526 31.032 32.600 -0.070 0.000 1.355 5055 M HN 0.386 nan 8.290 nan 0.000 0.402 5056 W N 0.525 121.856 121.300 0.052 0.000 2.611 5056 W HA 0.055 4.712 4.660 -0.006 0.000 0.251 5056 W C 1.349 177.939 176.519 0.118 0.000 1.265 5056 W CA 0.266 57.657 57.345 0.076 0.000 1.295 5056 W CB -1.105 28.395 29.460 0.067 0.000 1.129 5056 W HN 0.265 nan 8.180 nan 0.000 0.630 5057 R N 1.074 121.431 120.500 -0.238 0.000 2.200 5057 R HA 0.003 4.339 4.340 -0.005 0.000 0.208 5057 R C 1.449 177.746 176.300 -0.005 0.000 1.033 5057 R CA 0.722 56.732 56.100 -0.150 0.000 1.000 5057 R CB -0.348 29.774 30.300 -0.297 0.000 0.906 5057 R HN 0.457 nan 8.270 nan 0.000 0.462 5058 Q N -0.010 119.795 119.800 0.009 0.000 2.225 5058 Q HA 0.185 4.522 4.340 -0.005 0.000 0.222 5058 Q C 0.266 176.323 176.000 0.095 0.000 0.887 5058 Q CA 0.166 55.992 55.803 0.039 0.000 0.958 5058 Q CB 0.632 29.391 28.738 0.035 0.000 1.058 5058 Q HN 0.307 nan 8.270 nan 0.000 0.459 5059 G N 1.806 110.694 108.800 0.148 0.000 2.356 5059 G HA2 -0.261 3.695 3.960 -0.005 0.000 0.296 5059 G HA3 -0.261 3.695 3.960 -0.005 0.000 0.296 5059 G C 0.038 175.054 174.900 0.194 0.000 1.022 5059 G CA 0.098 45.309 45.100 0.185 0.000 0.961 5059 G HN 0.219 nan 8.290 nan 0.000 0.510 5060 M N -0.738 118.978 119.600 0.193 0.000 2.146 5060 M HA 0.450 4.926 4.480 -0.005 0.000 0.357 5060 M C 0.934 177.404 176.300 0.282 0.000 1.261 5060 M CA -0.721 54.675 55.300 0.160 0.000 1.106 5060 M CB 0.838 33.450 32.600 0.021 0.000 1.612 5060 M HN 0.187 nan 8.290 nan 0.000 0.470 5061 F N 3.271 123.311 119.950 0.150 0.000 2.514 5061 F HA 0.143 4.667 4.527 -0.005 0.000 0.281 5061 F C 1.413 177.435 175.800 0.370 0.000 1.060 5061 F CA 0.835 59.010 58.000 0.292 0.000 1.397 5061 F CB 0.378 39.569 39.000 0.318 0.000 1.129 5061 F HN 0.332 nan 8.300 nan 0.000 0.620 5062 V N 0.074 120.073 119.914 0.141 0.000 2.825 5062 V HA -0.072 4.044 4.120 -0.005 0.000 0.246 5062 V C 2.129 178.231 176.094 0.013 0.000 1.068 5062 V CA 0.855 63.178 62.300 0.038 0.000 1.088 5062 V CB 0.030 31.828 31.823 -0.041 0.000 0.733 5062 V HN 0.283 nan 8.190 nan 0.000 0.468 5063 L N 1.863 123.022 121.223 -0.107 0.000 2.013 5063 L HA -0.096 4.240 4.340 -0.005 0.000 0.212 5063 L C 0.098 176.835 176.870 -0.223 0.000 1.073 5063 L CA 2.631 57.315 54.840 -0.260 0.000 0.753 5063 L CB -1.451 40.311 42.059 -0.496 0.000 0.890 5063 L HN 0.275 nan 8.230 nan 0.000 0.432 5064 P HA -0.221 nan 4.420 nan 0.000 0.218 5064 P C 1.650 178.583 177.300 -0.611 0.000 1.148 5064 P CA 1.703 64.409 63.100 -0.656 0.000 0.822 5064 P CB -0.246 30.760 31.700 -1.157 0.000 0.784 5065 F N -0.823 118.993 119.950 -0.223 0.000 2.325 5065 F HA 0.059 4.583 4.527 -0.005 0.000 0.299 5065 F C 2.692 178.474 175.800 -0.030 0.000 1.090 5065 F CA 1.115 59.066 58.000 -0.082 0.000 1.392 5065 F CB -0.811 38.147 39.000 -0.070 0.000 1.053 5065 F HN -0.212 nan 8.300 nan 0.000 0.521 5066 M N -1.119 118.555 119.600 0.123 0.000 2.447 5066 M HA 0.021 4.498 4.480 -0.005 0.000 0.264 5066 M C 2.302 178.672 176.300 0.116 0.000 1.095 5066 M CA 0.863 56.250 55.300 0.145 0.000 1.125 5066 M CB -0.252 32.500 32.600 0.253 0.000 1.389 5066 M HN 0.148 nan 8.290 nan 0.000 0.459 5067 A N 0.501 123.364 122.820 0.072 0.000 1.898 5067 A HA -0.119 4.197 4.320 -0.005 0.000 0.214 5067 A C 2.113 179.772 177.584 0.126 0.000 1.183 5067 A CA 1.285 53.361 52.037 0.065 0.000 0.622 5067 A CB -0.575 18.335 19.000 -0.149 0.000 0.824 5067 A HN 0.413 nan 8.150 nan 0.000 0.444 5068 R N -0.293 120.227 120.500 0.033 0.000 2.117 5068 R HA -0.085 4.252 4.340 -0.005 0.000 0.243 5068 R C 1.270 177.703 176.300 0.223 0.000 1.143 5068 R CA 1.620 57.810 56.100 0.150 0.000 0.968 5068 R CB -0.303 30.038 30.300 0.069 0.000 0.863 5068 R HN 0.524 nan 8.270 nan 0.000 0.444 5069 L N -1.507 119.825 121.223 0.183 0.000 2.607 5069 L HA 0.260 4.596 4.340 -0.005 0.000 0.228 5069 L C 1.249 178.270 176.870 0.251 0.000 1.123 5069 L CA 0.505 55.488 54.840 0.238 0.000 0.890 5069 L CB 0.843 42.991 42.059 0.149 0.000 1.103 5069 L HN 0.620 nan 8.230 nan 0.000 0.468 5070 G N -0.513 108.386 108.800 0.165 0.000 2.545 5070 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.195 5070 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.195 5070 G C 0.211 175.114 174.900 0.006 0.000 1.009 5070 G CA -0.326 44.827 45.100 0.088 0.000 0.703 5070 G HN -0.026 nan 8.290 nan 0.000 0.479 5071 V N 3.359 123.242 119.914 -0.052 0.000 2.397 5071 V HA 0.466 4.583 4.120 -0.005 0.000 0.262 5071 V C 1.318 177.157 176.094 -0.424 0.000 1.047 5071 V CA 1.408 63.541 62.300 -0.278 0.000 1.003 5071 V CB 0.518 32.142 31.823 -0.331 0.000 1.037 5071 V HN 0.755 nan 8.190 nan 0.000 0.480 5072 T N 0.465 114.798 114.554 -0.369 0.000 3.170 5072 T HA 0.482 4.829 4.350 -0.005 0.000 0.288 5072 T C 0.480 175.083 174.700 -0.162 0.000 0.992 5072 T CA 0.297 62.312 62.100 -0.143 0.000 0.909 5072 T CB 0.558 69.512 68.868 0.144 0.000 1.133 5072 T HN 0.800 nan 8.240 nan 0.000 0.530 5073 G N 0.284 108.778 108.800 -0.510 0.000 2.766 5073 G HA2 0.624 4.581 3.960 -0.005 0.000 0.288 5073 G HA3 0.624 4.581 3.960 -0.005 0.000 0.288 5073 G C -1.645 172.878 174.900 -0.628 0.000 1.408 5073 G CA -0.677 44.167 45.100 -0.427 0.000 0.852 5073 G HN 0.289 nan 8.290 nan 0.000 0.487 5074 S N -1.485 113.770 115.700 -0.743 0.000 2.599 5074 S HA 0.471 4.938 4.470 -0.005 0.000 0.294 5074 S C 0.021 174.465 174.600 -0.260 0.000 1.094 5074 S CA -0.631 57.191 58.200 -0.630 0.000 0.931 5074 S CB 0.908 63.492 63.200 -1.027 0.000 1.093 5074 S HN 0.508 nan 8.310 nan 0.000 0.488 5075 W N 2.029 123.187 121.300 -0.238 0.000 2.538 5075 W HA 0.064 4.721 4.660 -0.005 0.000 0.254 5075 W C 1.878 178.334 176.519 -0.105 0.000 1.249 5075 W CA 0.273 57.523 57.345 -0.158 0.000 1.253 5075 W CB -1.391 27.991 29.460 -0.130 0.000 1.130 5075 W HN 0.589 nan 8.180 nan 0.000 0.618 5076 S N -0.518 115.235 115.700 0.088 0.000 2.607 5076 S HA 0.227 4.694 4.470 -0.005 0.000 0.224 5076 S C 1.818 176.499 174.600 0.135 0.000 0.969 5076 S CA 0.836 59.129 58.200 0.155 0.000 0.927 5076 S CB -0.306 63.107 63.200 0.355 0.000 0.772 5076 S HN 0.444 nan 8.310 nan 0.000 0.533 5077 G N 1.479 110.283 108.800 0.007 0.000 2.179 5077 G HA2 -0.226 3.731 3.960 -0.005 0.000 0.260 5077 G HA3 -0.226 3.731 3.960 -0.005 0.000 0.260 5077 G C 0.038 175.002 174.900 0.107 0.000 0.977 5077 G CA 0.241 45.373 45.100 0.053 0.000 0.641 5077 G HN 0.604 nan 8.290 nan 0.000 0.533 5078 W N 0.339 121.714 121.300 0.126 0.000 2.509 5078 W HA 0.837 5.494 4.660 -0.005 0.000 0.351 5078 W C -0.008 176.612 176.519 0.167 0.000 1.107 5078 W CA -0.714 56.711 57.345 0.134 0.000 1.264 5078 W CB 1.136 30.677 29.460 0.136 0.000 1.312 5078 W HN 0.371 nan 8.180 nan 0.000 0.608 5079 S N 0.988 116.980 115.700 0.487 0.000 2.578 5079 S HA 0.335 4.802 4.470 -0.005 0.000 0.301 5079 S C 0.233 175.196 174.600 0.605 0.000 1.091 5079 S CA -0.684 57.741 58.200 0.376 0.000 1.032 5079 S CB 1.655 64.996 63.200 0.236 0.000 1.064 5079 S HN 0.450 nan 8.310 nan 0.000 0.508 5080 I N 3.527 124.425 120.570 0.548 0.000 3.001 5080 I HA -0.026 4.140 4.170 -0.005 0.000 0.268 5080 I C 1.928 178.309 176.117 0.439 0.000 1.267 5080 I CA 1.586 63.216 61.300 0.551 0.000 1.472 5080 I CB -0.143 38.139 38.000 0.470 0.000 1.089 5080 I HN 0.872 nan 8.210 nan 0.000 0.468 5081 T N -2.758 112.034 114.554 0.397 0.000 3.022 5081 T HA 0.375 4.721 4.350 -0.005 0.000 0.250 5081 T C 1.339 176.194 174.700 0.258 0.000 1.060 5081 T CA 0.207 62.512 62.100 0.341 0.000 1.013 5081 T CB 0.086 69.114 68.868 0.267 0.000 0.982 5081 T HN 0.409 nan 8.240 nan 0.000 0.508 5082 G N 1.683 110.648 108.800 0.275 0.000 2.325 5082 G HA2 -0.169 3.788 3.960 -0.005 0.000 0.248 5082 G HA3 -0.169 3.788 3.960 -0.005 0.000 0.248 5082 G C -0.539 174.469 174.900 0.179 0.000 1.108 5082 G CA -0.534 44.701 45.100 0.224 0.000 0.881 5082 G HN 0.603 nan 8.290 nan 0.000 0.494 5083 E N 1.066 121.377 120.200 0.185 0.000 2.197 5083 E HA 0.469 4.816 4.350 -0.005 0.000 0.281 5083 E C 1.050 177.726 176.600 0.128 0.000 0.995 5083 E CA -0.084 56.396 56.400 0.134 0.000 0.808 5083 E CB 0.999 30.765 29.700 0.110 0.000 1.093 5083 E HN 0.478 nan 8.360 nan 0.000 0.394 5084 T N 0.371 114.985 114.554 0.100 0.000 2.905 5084 T HA 0.046 4.393 4.350 -0.005 0.000 0.299 5084 T C 1.008 175.757 174.700 0.082 0.000 1.024 5084 T CA -0.184 61.969 62.100 0.089 0.000 1.151 5084 T CB 0.376 69.283 68.868 0.066 0.000 0.987 5084 T HN 0.694 nan 8.240 nan 0.000 0.535 5085 G N 3.936 112.788 108.800 0.087 0.000 2.019 5085 G HA2 -0.066 3.890 3.960 -0.005 0.000 0.240 5085 G HA3 -0.066 3.890 3.960 -0.005 0.000 0.240 5085 G C 0.192 175.124 174.900 0.054 0.000 0.699 5085 G CA 0.500 45.643 45.100 0.071 0.000 1.045 5085 G HN 1.151 nan 8.290 nan 0.000 0.365 5086 I N -1.962 118.640 120.570 0.052 0.000 3.932 5086 I HA 0.822 4.988 4.170 -0.005 0.000 0.256 5086 I C 0.200 176.332 176.117 0.025 0.000 1.408 5086 I CA -1.606 59.716 61.300 0.037 0.000 0.882 5086 I CB 0.992 39.014 38.000 0.037 0.000 1.657 5086 I HN 0.286 nan 8.210 nan 0.000 0.733 5087 D N -1.440 118.971 120.400 0.018 0.000 2.362 5087 D HA 0.331 4.968 4.640 -0.005 0.000 0.232 5087 D C -2.897 173.420 176.300 0.027 0.000 1.329 5087 D CA -0.913 53.100 54.000 0.021 0.000 0.944 5087 D CB 0.213 41.026 40.800 0.022 0.000 1.471 5087 D HN 0.354 nan 8.370 nan 0.000 0.533 5088 P HA 0.253 nan 4.420 nan 0.000 0.270 5088 P C 1.114 178.468 177.300 0.089 0.000 1.227 5088 P CA -0.118 62.998 63.100 0.027 0.000 0.788 5088 P CB 0.792 32.467 31.700 -0.042 0.000 0.926 5089 G N -0.034 108.837 108.800 0.117 0.000 2.961 5089 G HA2 -0.123 3.834 3.960 -0.005 0.000 0.150 5089 G HA3 -0.123 3.834 3.960 -0.005 0.000 0.150 5089 G C 0.617 175.625 174.900 0.179 0.000 1.864 5089 G CA 0.112 45.290 45.100 0.130 0.000 0.992 5089 G HN 0.526 nan 8.290 nan 0.000 0.458 5090 F N -0.348 119.563 119.950 -0.065 0.000 2.387 5090 F HA 0.257 4.781 4.527 -0.005 0.000 0.294 5090 F C 1.084 176.857 175.800 -0.044 0.000 1.093 5090 F CA -0.385 57.582 58.000 -0.054 0.000 1.420 5090 F CB -0.048 38.695 39.000 -0.427 0.000 1.086 5090 F HN 0.264 nan 8.300 nan 0.000 0.531 5091 W N 3.410 124.902 121.300 0.320 0.000 1.282 5091 W HA 0.181 4.838 4.660 -0.005 0.000 0.527 5091 W C 0.632 177.046 176.519 -0.175 0.000 0.616 5091 W CA -0.311 57.092 57.345 0.096 0.000 2.357 5091 W CB -0.735 28.795 29.460 0.116 0.000 1.453 5091 W HN 0.035 nan 8.180 nan 0.000 0.188 5092 S N -0.714 114.846 115.700 -0.232 0.000 2.747 5092 S HA 0.440 4.907 4.470 -0.005 0.000 0.300 5092 S C 0.645 174.929 174.600 -0.526 0.000 1.121 5092 S CA -0.821 57.080 58.200 -0.498 0.000 0.995 5092 S CB 0.786 63.552 63.200 -0.723 0.000 1.113 5092 S HN 0.164 nan 8.310 nan 0.000 0.547 5093 F N 1.113 120.825 119.950 -0.397 0.000 2.161 5093 F HA -0.019 4.505 4.527 -0.005 0.000 0.300 5093 F C 2.420 177.960 175.800 -0.433 0.000 1.089 5093 F CA 1.690 59.499 58.000 -0.318 0.000 1.282 5093 F CB -0.971 37.874 39.000 -0.258 0.000 1.010 5093 F HN 0.574 nan 8.300 nan 0.000 0.485 5094 E N -0.045 119.816 120.200 -0.565 0.000 2.072 5094 E HA -0.084 4.263 4.350 -0.005 0.000 0.191 5094 E C 2.615 178.682 176.600 -0.888 0.000 0.985 5094 E CA 1.144 57.065 56.400 -0.798 0.000 0.801 5094 E CB -1.009 27.922 29.700 -1.281 0.000 0.750 5094 E HN 0.351 nan 8.360 nan 0.000 0.452 5095 G N 0.578 108.660 108.800 -1.197 0.000 2.446 5095 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.217 5095 G HA3 -0.258 3.699 3.960 -0.005 0.000 0.217 5095 G C 1.750 176.652 174.900 0.003 0.000 1.168 5095 G CA 1.104 45.678 45.100 -0.877 0.000 0.771 5095 G HN 0.191 nan 8.290 nan 0.000 0.551 5096 V N 1.740 121.739 119.914 0.141 0.000 2.255 5096 V HA -0.195 3.922 4.120 -0.005 0.000 0.247 5096 V C 3.363 179.611 176.094 0.256 0.000 1.051 5096 V CA 2.203 64.707 62.300 0.340 0.000 1.018 5096 V CB -1.082 30.845 31.823 0.174 0.000 0.641 5096 V HN 0.491 nan 8.190 nan 0.000 0.445 5097 A N -0.335 122.515 122.820 0.049 0.000 1.940 5097 A HA -0.207 4.110 4.320 -0.005 0.000 0.219 5097 A C 2.161 179.815 177.584 0.117 0.000 1.176 5097 A CA 2.201 54.245 52.037 0.013 0.000 0.631 5097 A CB -0.574 18.390 19.000 -0.061 0.000 0.814 5097 A HN 0.454 nan 8.150 nan 0.000 0.446 5098 L N -0.172 121.118 121.223 0.111 0.000 1.961 5098 L HA -0.068 4.269 4.340 -0.005 0.000 0.210 5098 L C 2.740 179.782 176.870 0.288 0.000 1.072 5098 L CA 2.437 57.391 54.840 0.190 0.000 0.749 5098 L CB -1.176 41.017 42.059 0.224 0.000 0.889 5098 L HN 0.378 nan 8.230 nan 0.000 0.432 5099 A N -1.015 122.053 122.820 0.412 0.000 1.909 5099 A HA -0.398 3.919 4.320 -0.005 0.000 0.221 5099 A C 2.178 179.924 177.584 0.271 0.000 1.223 5099 A CA 2.573 54.850 52.037 0.399 0.000 0.658 5099 A CB -1.458 17.902 19.000 0.600 0.000 0.831 5099 A HN 0.753 nan 8.150 nan 0.000 0.462 5100 H N -0.645 118.537 119.070 0.186 0.000 2.290 5100 H HA -0.101 4.451 4.556 -0.005 0.000 0.298 5100 H C 2.013 177.409 175.328 0.113 0.000 1.087 5100 H CA 1.845 57.972 56.048 0.132 0.000 1.291 5100 H CB -0.219 29.604 29.762 0.103 0.000 1.369 5100 H HN 0.396 nan 8.280 nan 0.000 0.492 5101 I N 0.197 120.906 120.570 0.231 0.000 2.315 5101 I HA -0.227 3.940 4.170 -0.005 0.000 0.251 5101 I C 2.159 178.354 176.117 0.129 0.000 1.125 5101 I CA 0.991 62.379 61.300 0.147 0.000 1.392 5101 I CB -0.877 37.191 38.000 0.113 0.000 1.065 5101 I HN 0.145 nan 8.210 nan 0.000 0.424 5102 V N 0.445 120.445 119.914 0.143 0.000 2.323 5102 V HA -0.216 3.901 4.120 -0.005 0.000 0.244 5102 V C 2.478 178.638 176.094 0.111 0.000 1.041 5102 V CA 1.065 63.438 62.300 0.122 0.000 1.025 5102 V CB -0.737 31.163 31.823 0.128 0.000 0.656 5102 V HN 0.287 nan 8.190 nan 0.000 0.451 5103 L N 1.710 122.994 121.223 0.101 0.000 2.013 5103 L HA -0.195 4.141 4.340 -0.005 0.000 0.212 5103 L C 2.655 179.587 176.870 0.105 0.000 1.073 5103 L CA 2.677 57.564 54.840 0.078 0.000 0.753 5103 L CB -0.913 41.154 42.059 0.013 0.000 0.890 5103 L HN 0.514 nan 8.230 nan 0.000 0.432 5104 S N -1.377 114.394 115.700 0.118 0.000 2.500 5104 S HA -0.027 4.440 4.470 -0.005 0.000 0.239 5104 S C 1.937 176.633 174.600 0.160 0.000 0.989 5104 S CA 0.592 58.876 58.200 0.139 0.000 0.951 5104 S CB -1.147 62.132 63.200 0.131 0.000 0.759 5104 S HN 0.541 nan 8.310 nan 0.000 0.523 5105 G N 1.844 110.728 108.800 0.140 0.000 2.395 5105 G HA2 0.109 4.065 3.960 -0.005 0.000 0.214 5105 G HA3 0.109 4.065 3.960 -0.005 0.000 0.214 5105 G C 1.373 176.402 174.900 0.216 0.000 1.177 5105 G CA 0.528 45.721 45.100 0.154 0.000 0.794 5105 G HN 0.480 nan 8.290 nan 0.000 0.532 5106 L N 0.096 121.416 121.223 0.163 0.000 1.994 5106 L HA -0.007 4.330 4.340 -0.005 0.000 0.208 5106 L C 2.911 179.883 176.870 0.170 0.000 1.071 5106 L CA 0.689 55.618 54.840 0.148 0.000 0.745 5106 L CB -0.490 41.633 42.059 0.106 0.000 0.892 5106 L HN 0.142 nan 8.230 nan 0.000 0.431 5107 L N -1.195 120.130 121.223 0.169 0.000 2.081 5107 L HA -0.290 4.047 4.340 -0.005 0.000 0.212 5107 L C 2.558 179.555 176.870 0.212 0.000 1.080 5107 L CA 1.376 56.323 54.840 0.177 0.000 0.754 5107 L CB -0.517 41.641 42.059 0.164 0.000 0.893 5107 L HN 0.217 nan 8.230 nan 0.000 0.433 5108 F N 0.434 120.445 119.950 0.102 0.000 2.102 5108 F HA -0.226 4.298 4.527 -0.006 0.000 0.298 5108 F C 2.168 178.036 175.800 0.112 0.000 1.105 5108 F CA 1.552 59.609 58.000 0.095 0.000 1.239 5108 F CB -0.201 38.843 39.000 0.073 0.000 0.991 5108 F HN -0.137 nan 8.300 nan 0.000 0.474 5109 L N 0.133 121.449 121.223 0.155 0.000 1.994 5109 L HA -0.206 4.131 4.340 -0.005 0.000 0.208 5109 L C 2.865 179.774 176.870 0.065 0.000 1.071 5109 L CA 1.336 56.215 54.840 0.064 0.000 0.745 5109 L CB -1.400 40.760 42.059 0.169 0.000 0.892 5109 L HN 0.237 nan 8.230 nan 0.000 0.431 5110 A N 0.125 123.019 122.820 0.124 0.000 1.948 5110 A HA -0.248 4.069 4.320 -0.005 0.000 0.220 5110 A C 2.457 180.195 177.584 0.256 0.000 1.177 5110 A CA 1.924 54.070 52.037 0.181 0.000 0.636 5110 A CB -0.779 18.328 19.000 0.178 0.000 0.815 5110 A HN 0.453 nan 8.150 nan 0.000 0.449 5111 A N -1.637 121.272 122.820 0.147 0.000 2.121 5111 A HA -0.074 4.243 4.320 -0.005 0.000 0.218 5111 A C 2.166 179.810 177.584 0.099 0.000 1.154 5111 A CA 1.547 53.667 52.037 0.139 0.000 0.679 5111 A CB -0.920 18.093 19.000 0.021 0.000 0.795 5111 A HN 0.614 nan 8.150 nan 0.000 0.458 5112 C N -3.291 116.008 119.300 -0.002 0.000 2.522 5112 C HA -0.001 4.456 4.460 -0.005 0.000 0.280 5112 C C 2.222 177.304 174.990 0.153 0.000 1.303 5112 C CA 0.239 59.258 59.018 0.001 0.000 1.709 5112 C CB -1.507 26.158 27.740 -0.125 0.000 2.071 5112 C HN 0.878 nan 8.230 nan 0.000 0.492 5113 W N 1.172 122.496 121.300 0.040 0.000 2.302 5113 W HA -0.209 4.448 4.660 -0.005 0.000 0.320 5113 W C 2.578 179.173 176.519 0.126 0.000 1.241 5113 W CA 1.985 59.368 57.345 0.063 0.000 1.264 5113 W CB -0.639 28.833 29.460 0.019 0.000 1.154 5113 W HN 0.428 nan 8.180 nan 0.000 0.483 5114 H N -1.417 117.951 119.070 0.497 0.000 2.543 5114 H HA -0.176 4.377 4.556 -0.005 0.000 0.286 5114 H C 1.783 177.258 175.328 0.245 0.000 1.037 5114 H CA 1.554 57.838 56.048 0.393 0.000 1.250 5114 H CB -0.844 29.196 29.762 0.463 0.000 1.373 5114 H HN 0.471 nan 8.280 nan 0.000 0.580 5115 W N 0.830 122.196 121.300 0.109 0.000 2.526 5115 W HA -0.095 4.562 4.660 -0.005 0.000 0.294 5115 W C 1.637 178.167 176.519 0.017 0.000 1.181 5115 W CA 0.738 58.117 57.345 0.056 0.000 1.373 5115 W CB -0.210 29.246 29.460 -0.006 0.000 1.112 5115 W HN -0.110 nan 8.180 nan 0.000 0.545 5116 V N 0.779 120.677 119.914 -0.027 0.000 2.244 5116 V HA -0.277 3.840 4.120 -0.005 0.000 0.244 5116 V C 0.721 176.548 176.094 -0.446 0.000 1.042 5116 V CA 1.533 63.641 62.300 -0.320 0.000 1.006 5116 V CB -1.235 30.154 31.823 -0.723 0.000 0.641 5116 V HN -0.031 nan 8.190 nan 0.000 0.446 5117 Y N 1.948 121.993 120.300 -0.424 0.000 2.667 5117 Y HA 0.079 4.626 4.550 -0.005 0.000 0.340 5117 Y C 1.159 176.864 175.900 -0.324 0.000 1.303 5117 Y CA -1.125 56.615 58.100 -0.600 0.000 1.769 5117 Y CB -0.875 36.870 38.460 -1.191 0.000 1.804 5117 Y HN 0.516 nan 8.280 nan 0.000 0.451 5118 W N -0.873 120.374 121.300 -0.088 0.000 2.812 5118 W HA 0.165 4.822 4.660 -0.005 0.000 0.263 5118 W C -0.489 176.105 176.519 0.126 0.000 1.284 5118 W CA 0.070 57.414 57.345 -0.000 0.000 1.430 5118 W CB 0.154 29.487 29.460 -0.212 0.000 1.088 5118 W HN 0.266 nan 8.180 nan 0.000 0.623 5119 D N 2.508 122.386 120.400 -0.869 0.000 2.564 5119 D HA 0.273 4.910 4.640 -0.005 0.000 0.226 5119 D C -0.610 175.523 176.300 -0.279 0.000 1.149 5119 D CA 0.018 53.575 54.000 -0.738 0.000 0.994 5119 D CB -0.486 39.438 40.800 -1.459 0.000 1.029 5119 D HN -0.014 nan 8.370 nan 0.000 0.517 5120 L N 2.232 123.432 121.223 -0.038 0.000 2.275 5120 L HA 0.315 4.652 4.340 -0.005 0.000 0.288 5120 L C 1.724 178.493 176.870 -0.169 0.000 1.046 5120 L CA -0.724 54.010 54.840 -0.177 0.000 0.805 5120 L CB 1.702 43.544 42.059 -0.363 0.000 1.193 5120 L HN 0.196 nan 8.230 nan 0.000 0.426 5121 E N 3.006 123.127 120.200 -0.132 0.000 2.113 5121 E HA -0.311 4.036 4.350 -0.005 0.000 0.210 5121 E C 1.748 178.305 176.600 -0.072 0.000 1.040 5121 E CA 2.064 58.417 56.400 -0.078 0.000 0.847 5121 E CB -0.193 29.463 29.700 -0.073 0.000 0.755 5121 E HN 0.608 nan 8.360 nan 0.000 0.459 5122 L N -0.121 121.002 121.223 -0.168 0.000 2.556 5122 L HA -0.085 4.251 4.340 -0.005 0.000 0.230 5122 L C 1.541 178.389 176.870 -0.036 0.000 1.163 5122 L CA 1.613 56.361 54.840 -0.154 0.000 0.819 5122 L CB -0.426 41.485 42.059 -0.246 0.000 0.939 5122 L HN 0.331 nan 8.230 nan 0.000 0.452 5123 F N -1.240 118.737 119.950 0.044 0.000 2.714 5123 F HA 0.172 4.696 4.527 -0.005 0.000 0.294 5123 F C 1.334 177.159 175.800 0.043 0.000 1.120 5123 F CA -0.614 57.416 58.000 0.051 0.000 1.398 5123 F CB 0.185 39.227 39.000 0.069 0.000 1.120 5123 F HN -0.149 nan 8.300 nan 0.000 0.589 5124 R N 1.214 121.838 120.500 0.207 0.000 2.540 5124 R HA 0.098 4.435 4.340 -0.005 0.000 0.287 5124 R C -0.664 175.688 176.300 0.087 0.000 0.980 5124 R CA -0.584 55.593 56.100 0.129 0.000 0.966 5124 R CB 1.011 31.369 30.300 0.096 0.000 1.106 5124 R HN -0.022 nan 8.270 nan 0.000 0.480 5125 D N 3.550 123.993 120.400 0.071 0.000 2.434 5125 D HA 0.014 4.651 4.640 -0.005 0.000 0.252 5125 D C -1.609 174.713 176.300 0.037 0.000 1.185 5125 D CA -1.413 52.618 54.000 0.052 0.000 0.886 5125 D CB 1.391 42.218 40.800 0.045 0.000 1.148 5125 D HN 0.143 nan 8.370 nan 0.000 0.483 5126 P HA -0.147 nan 4.420 nan 0.000 0.217 5126 P C 1.449 178.757 177.300 0.012 0.000 1.150 5126 P CA 1.900 65.009 63.100 0.016 0.000 0.832 5126 P CB 0.125 31.831 31.700 0.011 0.000 0.787 5127 R N 0.186 120.693 120.500 0.012 0.000 2.096 5127 R HA -0.026 4.311 4.340 -0.005 0.000 0.235 5127 R C 1.633 177.939 176.300 0.010 0.000 1.127 5127 R CA 2.053 58.158 56.100 0.008 0.000 0.968 5127 R CB -2.128 28.175 30.300 0.005 0.000 0.861 5127 R HN 0.506 nan 8.270 nan 0.000 0.440 5128 T N -5.734 108.830 114.554 0.016 0.000 2.919 5128 T HA 0.552 4.898 4.350 -0.005 0.000 0.282 5128 T C 1.218 175.932 174.700 0.023 0.000 1.020 5128 T CA -0.070 62.040 62.100 0.018 0.000 0.994 5128 T CB 1.781 70.661 68.868 0.021 0.000 1.180 5128 T HN 0.228 nan 8.240 nan 0.000 0.566 5129 G N -0.476 108.338 108.800 0.024 0.000 3.233 5129 G HA2 0.303 4.260 3.960 -0.005 0.000 0.234 5129 G HA3 0.303 4.260 3.960 -0.005 0.000 0.234 5129 G C 0.015 174.940 174.900 0.041 0.000 1.137 5129 G CA -0.424 44.693 45.100 0.028 0.000 0.763 5129 G HN 0.758 nan 8.290 nan 0.000 0.549 5130 E N 0.989 121.214 120.200 0.041 0.000 2.283 5130 E HA 0.374 4.721 4.350 -0.005 0.000 0.271 5130 E C -2.584 174.053 176.600 0.062 0.000 1.031 5130 E CA -2.071 54.358 56.400 0.047 0.000 0.868 5130 E CB 1.311 31.032 29.700 0.035 0.000 1.094 5130 E HN 0.003 nan 8.360 nan 0.000 0.401 5131 P HA 0.264 nan 4.420 nan 0.000 0.274 5131 P C -1.376 175.961 177.300 0.061 0.000 1.231 5131 P CA -0.133 63.020 63.100 0.089 0.000 0.790 5131 P CB 0.931 32.681 31.700 0.084 0.000 0.951 5132 A N 1.664 124.529 122.820 0.075 0.000 2.590 5132 A HA 0.602 4.919 4.320 -0.005 0.000 0.296 5132 A C -2.221 175.407 177.584 0.073 0.000 1.050 5132 A CA -0.316 51.756 52.037 0.057 0.000 0.697 5132 A CB 0.601 19.637 19.000 0.060 0.000 1.277 5132 A HN 0.350 nan 8.150 nan 0.000 0.411 5133 L N 1.555 122.808 121.223 0.051 0.000 2.381 5133 L HA 0.491 4.828 4.340 -0.005 0.000 0.274 5133 L C -0.480 176.428 176.870 0.062 0.000 0.988 5133 L CA -0.106 54.770 54.840 0.060 0.000 0.824 5133 L CB 1.769 43.843 42.059 0.025 0.000 1.263 5133 L HN 0.777 nan 8.230 nan 0.000 0.410 5134 D N 2.954 123.398 120.400 0.074 0.000 2.508 5134 D HA 0.163 4.800 4.640 -0.005 0.000 0.224 5134 D C 1.117 177.459 176.300 0.070 0.000 1.171 5134 D CA 0.036 54.086 54.000 0.082 0.000 1.006 5134 D CB 0.382 41.230 40.800 0.079 0.000 1.073 5134 D HN 0.401 nan 8.370 nan 0.000 0.513 5135 L N 4.140 125.397 121.223 0.056 0.000 2.042 5135 L HA -0.062 4.274 4.340 -0.005 0.000 0.210 5135 L C -0.562 176.363 176.870 0.092 0.000 1.076 5135 L CA 1.245 56.111 54.840 0.043 0.000 0.749 5135 L CB -1.411 40.642 42.059 -0.010 0.000 0.893 5135 L HN 0.372 nan 8.230 nan 0.000 0.432 5136 P HA -0.199 nan 4.420 nan 0.000 0.216 5136 P C 1.537 178.970 177.300 0.222 0.000 1.150 5136 P CA 1.405 64.631 63.100 0.210 0.000 0.837 5136 P CB 0.045 31.874 31.700 0.214 0.000 0.786 5137 K N -1.242 119.238 120.400 0.134 0.000 2.186 5137 K HA 0.012 4.329 4.320 -0.005 0.000 0.202 5137 K C 2.083 178.698 176.600 0.025 0.000 1.052 5137 K CA 0.620 56.956 56.287 0.082 0.000 0.965 5137 K CB -0.358 32.172 32.500 0.051 0.000 0.746 5137 K HN -0.011 nan 8.250 nan 0.000 0.457 5138 M N 0.294 119.899 119.600 0.008 0.000 2.065 5138 M HA -0.207 4.269 4.480 -0.005 0.000 0.259 5138 M C 1.854 178.008 176.300 -0.243 0.000 1.071 5138 M CA 1.783 57.000 55.300 -0.138 0.000 1.109 5138 M CB -0.347 32.211 32.600 -0.070 0.000 1.313 5138 M HN 0.204 nan 8.290 nan 0.000 0.408 5139 F N 0.501 120.352 119.950 -0.167 0.000 2.043 5139 F HA -0.114 4.410 4.527 -0.005 0.000 0.297 5139 F C 2.111 177.894 175.800 -0.028 0.000 1.121 5139 F CA 2.023 59.970 58.000 -0.088 0.000 1.199 5139 F CB -1.382 37.586 39.000 -0.053 0.000 0.968 5139 F HN 0.207 nan 8.300 nan 0.000 0.478 5140 G N 0.907 109.577 108.800 -0.216 0.000 2.503 5140 G HA2 -0.290 3.666 3.960 -0.005 0.000 0.221 5140 G HA3 -0.290 3.666 3.960 -0.005 0.000 0.221 5140 G C 1.865 176.712 174.900 -0.088 0.000 1.131 5140 G CA 1.480 46.453 45.100 -0.213 0.000 0.756 5140 G HN 0.529 nan 8.290 nan 0.000 0.572 5141 I N -0.377 120.161 120.570 -0.055 0.000 2.163 5141 I HA -0.146 4.021 4.170 -0.005 0.000 0.240 5141 I C 2.543 178.786 176.117 0.210 0.000 1.081 5141 I CA 1.328 62.661 61.300 0.054 0.000 1.353 5141 I CB -0.577 37.430 38.000 0.011 0.000 1.054 5141 I HN 0.268 nan 8.210 nan 0.000 0.407 5142 H N 0.217 119.330 119.070 0.072 0.000 2.290 5142 H HA -0.215 4.337 4.556 -0.005 0.000 0.298 5142 H C 2.165 177.506 175.328 0.023 0.000 1.087 5142 H CA 1.278 57.370 56.048 0.075 0.000 1.291 5142 H CB -0.067 29.759 29.762 0.107 0.000 1.369 5142 H HN 0.166 nan 8.280 nan 0.000 0.492 5143 L N 0.931 122.153 121.223 -0.001 0.000 2.127 5143 L HA -0.183 4.154 4.340 -0.005 0.000 0.211 5143 L C 2.112 178.990 176.870 0.013 0.000 1.089 5143 L CA 1.306 56.083 54.840 -0.105 0.000 0.757 5143 L CB -0.901 40.855 42.059 -0.506 0.000 0.899 5143 L HN 0.160 nan 8.230 nan 0.000 0.434 5144 F N -0.270 119.648 119.950 -0.053 0.000 2.051 5144 F HA -0.216 4.308 4.527 -0.005 0.000 0.296 5144 F C 2.092 177.918 175.800 0.043 0.000 1.122 5144 F CA 2.036 60.037 58.000 0.001 0.000 1.201 5144 F CB -0.561 38.445 39.000 0.009 0.000 0.978 5144 F HN 0.076 nan 8.300 nan 0.000 0.472 5145 L N 0.350 121.604 121.223 0.052 0.000 1.971 5145 L HA -0.262 4.075 4.340 -0.005 0.000 0.215 5145 L C 2.860 179.698 176.870 -0.053 0.000 1.072 5145 L CA 1.550 56.374 54.840 -0.026 0.000 0.758 5145 L CB -1.537 40.595 42.059 0.121 0.000 0.889 5145 L HN 0.288 nan 8.230 nan 0.000 0.433 5146 A N 0.490 123.318 122.820 0.013 0.000 1.870 5146 A HA -0.286 4.031 4.320 -0.005 0.000 0.219 5146 A C 2.407 180.003 177.584 0.021 0.000 1.224 5146 A CA 2.526 54.580 52.037 0.028 0.000 0.650 5146 A CB -1.697 17.335 19.000 0.053 0.000 0.836 5146 A HN 0.500 nan 8.150 nan 0.000 0.454 5147 G N -0.841 107.951 108.800 -0.014 0.000 2.440 5147 G HA2 -0.143 3.814 3.960 -0.005 0.000 0.218 5147 G HA3 -0.143 3.814 3.960 -0.005 0.000 0.218 5147 G C 1.494 176.393 174.900 -0.003 0.000 1.154 5147 G CA 1.230 46.331 45.100 0.002 0.000 0.767 5147 G HN 0.516 nan 8.290 nan 0.000 0.552 5148 L N -0.020 121.101 121.223 -0.171 0.000 2.013 5148 L HA -0.059 4.278 4.340 -0.005 0.000 0.212 5148 L C 2.566 179.491 176.870 0.091 0.000 1.073 5148 L CA 1.681 56.431 54.840 -0.149 0.000 0.753 5148 L CB -0.499 41.337 42.059 -0.372 0.000 0.890 5148 L HN 0.221 nan 8.230 nan 0.000 0.432 5149 L N -1.116 120.149 121.223 0.070 0.000 2.072 5149 L HA -0.186 4.151 4.340 -0.005 0.000 0.205 5149 L C 2.671 179.659 176.870 0.197 0.000 1.079 5149 L CA 1.916 56.833 54.840 0.129 0.000 0.752 5149 L CB -1.112 40.989 42.059 0.071 0.000 0.906 5149 L HN 0.557 nan 8.230 nan 0.000 0.436 5150 C N -0.697 118.718 119.300 0.192 0.000 2.398 5150 C HA -0.261 4.195 4.460 -0.005 0.000 0.276 5150 C C 2.764 177.936 174.990 0.304 0.000 1.222 5150 C CA 1.162 60.346 59.018 0.276 0.000 1.746 5150 C CB -1.350 26.533 27.740 0.238 0.000 2.039 5150 C HN 0.658 nan 8.230 nan 0.000 0.470 5151 F N 1.956 121.988 119.950 0.136 0.000 2.046 5151 F HA 0.063 4.587 4.527 -0.005 0.000 0.297 5151 F C 2.288 178.172 175.800 0.140 0.000 1.123 5151 F CA 2.306 60.370 58.000 0.108 0.000 1.199 5151 F CB -1.115 37.926 39.000 0.069 0.000 0.972 5151 F HN 0.268 nan 8.300 nan 0.000 0.474 5152 G N -0.068 108.895 108.800 0.270 0.000 2.513 5152 G HA2 -0.399 3.558 3.960 -0.005 0.000 0.219 5152 G HA3 -0.399 3.558 3.960 -0.005 0.000 0.219 5152 G C 1.689 176.732 174.900 0.239 0.000 1.160 5152 G CA 1.106 46.416 45.100 0.351 0.000 0.767 5152 G HN 0.482 nan 8.290 nan 0.000 0.571 5153 F N 2.495 122.476 119.950 0.051 0.000 2.095 5153 F HA -0.003 4.521 4.527 -0.005 0.000 0.298 5153 F C 2.521 178.273 175.800 -0.081 0.000 1.104 5153 F CA 1.807 59.791 58.000 -0.027 0.000 1.232 5153 F CB -0.689 38.232 39.000 -0.132 0.000 0.987 5153 F HN 0.101 nan 8.300 nan 0.000 0.475 5154 G N -0.488 108.062 108.800 -0.417 0.000 2.394 5154 G HA2 -0.095 3.862 3.960 -0.005 0.000 0.214 5154 G HA3 -0.095 3.862 3.960 -0.005 0.000 0.214 5154 G C 1.827 176.436 174.900 -0.484 0.000 1.176 5154 G CA 0.842 45.639 45.100 -0.504 0.000 0.786 5154 G HN 0.660 nan 8.290 nan 0.000 0.533 5155 A N 0.540 122.965 122.820 -0.660 0.000 1.851 5155 A HA 0.125 4.441 4.320 -0.005 0.000 0.216 5155 A C 2.148 179.261 177.584 -0.785 0.000 1.195 5155 A CA 1.691 53.180 52.037 -0.914 0.000 0.622 5155 A CB -0.520 17.503 19.000 -1.628 0.000 0.831 5155 A HN 0.309 nan 8.150 nan 0.000 0.444 5156 F N -2.274 117.602 119.950 -0.123 0.000 2.317 5156 F HA 0.104 4.627 4.527 -0.005 0.000 0.290 5156 F C 2.327 178.107 175.800 -0.033 0.000 1.075 5156 F CA 0.870 58.877 58.000 0.011 0.000 1.380 5156 F CB -0.706 38.394 39.000 0.166 0.000 1.093 5156 F HN 0.329 nan 8.300 nan 0.000 0.524 5157 H N 1.247 120.307 119.070 -0.018 0.000 2.343 5157 H HA -0.009 4.543 4.556 -0.005 0.000 0.307 5157 H C 2.295 177.493 175.328 -0.216 0.000 1.045 5157 H CA 1.798 57.777 56.048 -0.114 0.000 1.281 5157 H CB -0.604 29.103 29.762 -0.091 0.000 1.425 5157 H HN 0.088 nan 8.280 nan 0.000 0.540 5158 L N 0.429 121.541 121.223 -0.185 0.000 2.151 5158 L HA -0.218 4.119 4.340 -0.005 0.000 0.215 5158 L C 2.483 179.250 176.870 -0.171 0.000 1.084 5158 L CA 1.860 56.575 54.840 -0.210 0.000 0.764 5158 L CB -0.811 41.014 42.059 -0.390 0.000 0.891 5158 L HN 0.345 nan 8.230 nan 0.000 0.435 5159 T N -0.959 113.486 114.554 -0.180 0.000 3.023 5159 T HA 0.061 4.408 4.350 -0.005 0.000 0.266 5159 T C 1.543 176.191 174.700 -0.087 0.000 1.093 5159 T CA 1.008 63.028 62.100 -0.133 0.000 1.129 5159 T CB 0.037 68.817 68.868 -0.147 0.000 0.899 5159 T HN 0.660 nan 8.240 nan 0.000 0.491 5160 G N 0.908 109.652 108.800 -0.093 0.000 2.179 5160 G HA2 -0.275 3.681 3.960 -0.005 0.000 0.260 5160 G HA3 -0.275 3.681 3.960 -0.005 0.000 0.260 5160 G C 0.837 175.748 174.900 0.018 0.000 0.977 5160 G CA 0.443 45.502 45.100 -0.069 0.000 0.641 5160 G HN 0.458 nan 8.290 nan 0.000 0.533 5161 L N -0.603 120.650 121.223 0.050 0.000 2.043 5161 L HA 0.352 4.689 4.340 -0.005 0.000 0.212 5161 L C 1.121 178.179 176.870 0.314 0.000 1.075 5161 L CA 2.661 57.589 54.840 0.146 0.000 0.752 5161 L CB -0.145 41.983 42.059 0.114 0.000 0.891 5161 L HN 0.613 nan 8.230 nan 0.000 0.432 5162 F N -0.406 119.620 119.950 0.128 0.000 3.167 5162 F HA 0.520 5.043 4.527 -0.005 0.000 0.389 5162 F C -0.017 175.801 175.800 0.030 0.000 1.233 5162 F CA 0.069 58.130 58.000 0.101 0.000 1.238 5162 F CB 0.283 39.363 39.000 0.133 0.000 1.971 5162 F HN 0.166 nan 8.300 nan 0.000 0.651 5163 G N 3.818 112.451 108.800 -0.279 0.000 2.357 5163 G HA2 0.147 4.104 3.960 -0.005 0.000 0.289 5163 G HA3 0.147 4.104 3.960 -0.005 0.000 0.289 5163 G C -3.334 171.351 174.900 -0.358 0.000 1.302 5163 G CA -0.648 44.180 45.100 -0.454 0.000 0.936 5163 G HN 0.246 nan 8.290 nan 0.000 0.513 5164 P HA 0.527 nan 4.420 nan 0.000 0.318 5164 P C 0.755 177.871 177.300 -0.307 0.000 1.309 5164 P CA 0.747 63.676 63.100 -0.285 0.000 0.736 5164 P CB 0.888 32.463 31.700 -0.208 0.000 1.440 5165 G N -0.912 107.799 108.800 -0.149 0.000 3.441 5165 G HA2 0.655 4.612 3.960 -0.005 0.000 0.195 5165 G HA3 0.655 4.612 3.960 -0.005 0.000 0.195 5165 G C -0.166 174.752 174.900 0.030 0.000 1.633 5165 G CA -0.473 44.575 45.100 -0.087 0.000 0.895 5165 G HN 0.682 nan 8.290 nan 0.000 0.654 5166 M N -1.996 117.633 119.600 0.049 0.000 2.569 5166 M HA 0.442 4.919 4.480 -0.005 0.000 0.279 5166 M C -1.634 174.753 176.300 0.144 0.000 1.253 5166 M CA -0.975 54.406 55.300 0.135 0.000 0.867 5166 M CB 2.865 35.533 32.600 0.114 0.000 1.727 5166 M HN 0.472 nan 8.290 nan 0.000 0.467 5167 W N 3.570 124.897 121.300 0.044 0.000 2.565 5167 W HA 0.498 5.156 4.660 -0.005 0.000 0.325 5167 W C -2.118 174.425 176.519 0.040 0.000 1.408 5167 W CA 0.173 57.544 57.345 0.043 0.000 1.350 5167 W CB 0.699 30.187 29.460 0.047 0.000 1.426 5167 W HN 0.532 nan 8.180 nan 0.000 0.538 5168 V N 6.239 126.014 119.914 -0.233 0.000 2.604 5168 V HA 0.381 4.498 4.120 -0.005 0.000 0.305 5168 V C 0.038 175.987 176.094 -0.241 0.000 1.043 5168 V CA -0.507 61.723 62.300 -0.117 0.000 0.888 5168 V CB 1.655 33.421 31.823 -0.095 0.000 0.995 5168 V HN 0.566 nan 8.190 nan 0.000 0.429 5169 S N 1.918 117.597 115.700 -0.034 0.000 2.841 5169 S HA 0.576 5.043 4.470 -0.005 0.000 0.318 5169 S C -1.191 173.432 174.600 0.037 0.000 1.127 5169 S CA -0.678 57.530 58.200 0.013 0.000 0.883 5169 S CB 1.683 65.016 63.200 0.221 0.000 1.271 5169 S HN 0.947 nan 8.310 nan 0.000 0.567 5170 D N 0.140 120.585 120.400 0.076 0.000 2.539 5170 D HA 0.359 4.996 4.640 -0.005 0.000 0.276 5170 D C -1.959 174.351 176.300 0.017 0.000 1.206 5170 D CA -1.174 52.861 54.000 0.058 0.000 1.081 5170 D CB -0.475 40.388 40.800 0.104 0.000 1.142 5170 D HN 0.210 nan 8.370 nan 0.000 0.595 5171 P HA -0.087 nan 4.420 nan 0.000 0.219 5171 P C -0.089 176.885 177.300 -0.544 0.000 1.146 5171 P CA 1.226 64.122 63.100 -0.341 0.000 0.808 5171 P CB -0.104 31.326 31.700 -0.450 0.000 0.779 5172 Y N -1.814 118.575 120.300 0.147 0.000 2.699 5172 Y HA 0.454 5.000 4.550 -0.005 0.000 0.282 5172 Y C 1.368 177.488 175.900 0.366 0.000 1.058 5172 Y CA -0.732 57.526 58.100 0.264 0.000 1.194 5172 Y CB -0.398 38.216 38.460 0.256 0.000 1.193 5172 Y HN -0.152 nan 8.280 nan 0.000 0.562 5173 G N 1.391 110.396 108.800 0.342 0.000 2.424 5173 G HA2 -0.287 3.670 3.960 -0.005 0.000 0.294 5173 G HA3 -0.287 3.670 3.960 -0.005 0.000 0.294 5173 G C 0.559 175.803 174.900 0.573 0.000 0.939 5173 G CA 1.115 46.466 45.100 0.419 0.000 1.143 5173 G HN 0.620 nan 8.290 nan 0.000 0.507 5174 L N -1.337 120.149 121.223 0.438 0.000 2.609 5174 L HA 0.180 4.517 4.340 -0.005 0.000 0.230 5174 L C 2.069 179.097 176.870 0.264 0.000 1.064 5174 L CA 1.125 56.183 54.840 0.363 0.000 0.873 5174 L CB 0.356 42.600 42.059 0.307 0.000 1.139 5174 L HN 0.255 nan 8.230 nan 0.000 0.490 5175 T N -0.544 114.140 114.554 0.216 0.000 3.040 5175 T HA 0.206 4.553 4.350 -0.005 0.000 0.266 5175 T C 0.986 175.710 174.700 0.040 0.000 1.005 5175 T CA -0.013 62.161 62.100 0.124 0.000 0.906 5175 T CB 0.444 69.358 68.868 0.077 0.000 1.082 5175 T HN 0.259 nan 8.240 nan 0.000 0.531 5176 G N 2.375 111.236 108.800 0.101 0.000 2.614 5176 G HA2 0.332 4.289 3.960 -0.005 0.000 0.229 5176 G HA3 0.332 4.289 3.960 -0.005 0.000 0.229 5176 G C 0.134 174.576 174.900 -0.764 0.000 1.232 5176 G CA 0.551 45.528 45.100 -0.206 0.000 0.857 5176 G HN 0.727 nan 8.290 nan 0.000 0.560 5177 S N -1.509 113.302 115.700 -1.482 0.000 2.656 5177 S HA 0.411 4.878 4.470 -0.005 0.000 0.265 5177 S C -1.240 172.794 174.600 -0.943 0.000 1.132 5177 S CA -0.725 56.750 58.200 -1.208 0.000 0.819 5177 S CB 1.233 64.148 63.200 -0.475 0.000 1.119 5177 S HN 1.014 nan 8.310 nan 0.000 0.476 5178 V N 2.492 122.158 119.914 -0.414 0.000 2.333 5178 V HA 0.586 4.703 4.120 -0.005 0.000 0.274 5178 V C -0.509 175.506 176.094 -0.132 0.000 1.028 5178 V CA -0.148 62.059 62.300 -0.155 0.000 0.851 5178 V CB 0.717 32.545 31.823 0.010 0.000 1.000 5178 V HN 0.725 nan 8.190 nan 0.000 0.456 5179 Q N 5.275 125.003 119.800 -0.121 0.000 2.484 5179 Q HA 0.533 4.870 4.340 -0.005 0.000 0.285 5179 Q C -2.846 173.109 176.000 -0.075 0.000 1.097 5179 Q CA -2.273 53.472 55.803 -0.095 0.000 0.802 5179 Q CB 2.690 31.365 28.738 -0.105 0.000 1.444 5179 Q HN 0.339 nan 8.270 nan 0.000 0.429 5180 P HA 0.222 nan 4.420 nan 0.000 0.287 5180 P C -0.781 176.478 177.300 -0.069 0.000 1.281 5180 P CA -0.248 62.809 63.100 -0.072 0.000 0.781 5180 P CB 0.890 32.554 31.700 -0.060 0.000 0.903 5181 V N 2.936 122.802 119.914 -0.080 0.000 2.532 5181 V HA 0.638 4.755 4.120 -0.005 0.000 0.295 5181 V C 0.426 176.461 176.094 -0.098 0.000 1.041 5181 V CA -0.776 61.474 62.300 -0.083 0.000 0.926 5181 V CB 1.438 33.209 31.823 -0.086 0.000 0.992 5181 V HN 0.577 nan 8.190 nan 0.000 0.457 5182 A N 5.872 128.639 122.820 -0.090 0.000 2.290 5182 A HA 0.805 5.121 4.320 -0.005 0.000 0.310 5182 A C -2.482 175.009 177.584 -0.155 0.000 1.202 5182 A CA -1.675 50.308 52.037 -0.089 0.000 0.837 5182 A CB 0.409 19.380 19.000 -0.048 0.000 1.139 5182 A HN 0.682 nan 8.150 nan 0.000 0.509 5183 P HA 0.188 nan 4.420 nan 0.000 0.270 5183 P C -0.502 176.483 177.300 -0.525 0.000 1.227 5183 P CA 0.102 62.923 63.100 -0.465 0.000 0.788 5183 P CB 0.472 31.837 31.700 -0.557 0.000 0.926 5184 E N 0.643 120.395 120.200 -0.747 0.000 2.361 5184 E HA 0.165 4.512 4.350 -0.005 0.000 0.270 5184 E C -0.699 175.600 176.600 -0.502 0.000 0.911 5184 E CA -0.343 55.769 56.400 -0.481 0.000 0.818 5184 E CB 0.356 29.937 29.700 -0.198 0.000 1.332 5184 E HN 0.365 nan 8.360 nan 0.000 0.402 5185 W N 3.043 124.383 121.300 0.067 0.000 3.003 5185 W HA 0.270 4.927 4.660 -0.005 0.000 0.257 5185 W C 1.325 177.916 176.519 0.121 0.000 1.308 5185 W CA 0.104 57.510 57.345 0.103 0.000 1.529 5185 W CB 0.036 29.540 29.460 0.073 0.000 1.115 5185 W HN 0.494 nan 8.180 nan 0.000 0.659 5186 G N 2.503 111.441 108.800 0.231 0.000 2.785 5186 G HA2 0.009 3.966 3.960 -0.005 0.000 0.256 5186 G HA3 0.009 3.966 3.960 -0.005 0.000 0.256 5186 G C -0.912 174.088 174.900 0.166 0.000 1.248 5186 G CA -0.423 44.776 45.100 0.164 0.000 0.914 5186 G HN -0.047 nan 8.290 nan 0.000 0.580 5187 P HA -0.061 nan 4.420 nan 0.000 0.222 5187 P C 0.934 178.332 177.300 0.164 0.000 1.153 5187 P CA 1.292 64.439 63.100 0.079 0.000 0.798 5187 P CB 0.234 31.931 31.700 -0.005 0.000 0.796 5188 D N 0.667 121.135 120.400 0.115 0.000 2.221 5188 D HA -0.115 4.522 4.640 -0.005 0.000 0.204 5188 D C 2.129 178.494 176.300 0.108 0.000 0.982 5188 D CA 1.359 55.416 54.000 0.095 0.000 0.857 5188 D CB -0.910 39.922 40.800 0.054 0.000 0.934 5188 D HN 0.084 nan 8.370 nan 0.000 0.475 5189 G N -1.470 107.409 108.800 0.132 0.000 2.653 5189 G HA2 -0.173 3.784 3.960 -0.005 0.000 0.212 5189 G HA3 -0.173 3.784 3.960 -0.005 0.000 0.212 5189 G C 0.615 175.497 174.900 -0.029 0.000 1.138 5189 G CA 0.091 45.209 45.100 0.030 0.000 0.782 5189 G HN 0.264 nan 8.290 nan 0.000 0.535 5190 F N -0.317 119.611 119.950 -0.036 0.000 2.661 5190 F HA 0.278 4.802 4.527 -0.005 0.000 0.306 5190 F C 0.976 176.739 175.800 -0.061 0.000 1.094 5190 F CA -1.247 56.730 58.000 -0.038 0.000 1.254 5190 F CB 0.138 39.129 39.000 -0.015 0.000 1.040 5190 F HN 0.057 nan 8.300 nan 0.000 0.562 5191 N N 3.222 121.955 118.700 0.055 0.000 2.408 5191 N HA 0.082 4.819 4.740 -0.005 0.000 0.257 5191 N C -1.547 173.892 175.510 -0.119 0.000 1.064 5191 N CA -1.508 51.539 53.050 -0.004 0.000 0.952 5191 N CB 1.158 39.670 38.487 0.042 0.000 1.093 5191 N HN -0.135 nan 8.380 nan 0.000 0.490 5192 P HA -0.174 nan 4.420 nan 0.000 0.224 5192 P C -0.073 176.933 177.300 -0.491 0.000 1.142 5192 P CA 1.271 64.117 63.100 -0.424 0.000 0.778 5192 P CB -0.012 31.350 31.700 -0.563 0.000 0.764 5193 Y N -1.165 119.093 120.300 -0.070 0.000 2.458 5193 Y HA 0.204 4.751 4.550 -0.005 0.000 0.256 5193 Y C 1.205 177.070 175.900 -0.059 0.000 1.159 5193 Y CA -0.662 57.396 58.100 -0.070 0.000 1.261 5193 Y CB -0.373 38.037 38.460 -0.083 0.000 1.119 5193 Y HN -0.026 nan 8.280 nan 0.000 0.524 5194 N N 1.631 120.349 118.700 0.029 0.000 2.485 5194 N HA 0.136 4.873 4.740 -0.005 0.000 0.243 5194 N C -2.294 173.192 175.510 -0.041 0.000 0.987 5194 N CA -1.875 51.176 53.050 0.002 0.000 0.940 5194 N CB 1.655 40.136 38.487 -0.010 0.000 1.122 5194 N HN -0.030 nan 8.380 nan 0.000 0.509 5195 P HA -0.099 nan 4.420 nan 0.000 0.216 5195 P C 1.230 178.480 177.300 -0.084 0.000 1.154 5195 P CA 1.276 64.351 63.100 -0.040 0.000 0.865 5195 P CB 0.066 31.753 31.700 -0.021 0.000 0.789 5196 G N -0.661 108.079 108.800 -0.100 0.000 2.517 5196 G HA2 -0.257 3.699 3.960 -0.005 0.000 0.222 5196 G HA3 -0.257 3.699 3.960 -0.005 0.000 0.222 5196 G C 1.695 176.466 174.900 -0.216 0.000 1.109 5196 G CA 1.032 46.036 45.100 -0.160 0.000 0.746 5196 G HN 0.407 nan 8.290 nan 0.000 0.576 5197 G N 0.072 108.766 108.800 -0.176 0.000 2.430 5197 G HA2 -0.032 3.925 3.960 -0.005 0.000 0.216 5197 G HA3 -0.032 3.925 3.960 -0.005 0.000 0.216 5197 G C 1.657 176.441 174.900 -0.192 0.000 1.146 5197 G CA 0.925 45.892 45.100 -0.223 0.000 0.793 5197 G HN 0.320 nan 8.290 nan 0.000 0.537 5198 V N 0.731 120.572 119.914 -0.121 0.000 2.626 5198 V HA -0.127 3.990 4.120 -0.005 0.000 0.252 5198 V C 2.845 178.984 176.094 0.073 0.000 1.067 5198 V CA 1.304 63.594 62.300 -0.017 0.000 1.081 5198 V CB 0.036 31.868 31.823 0.015 0.000 0.686 5198 V HN 0.265 nan 8.190 nan 0.000 0.468 5199 V N 0.180 120.044 119.914 -0.084 0.000 2.331 5199 V HA -0.039 4.078 4.120 -0.005 0.000 0.242 5199 V C 2.706 178.675 176.094 -0.207 0.000 1.034 5199 V CA 1.509 63.721 62.300 -0.147 0.000 1.027 5199 V CB -1.159 30.529 31.823 -0.225 0.000 0.667 5199 V HN 0.479 nan 8.190 nan 0.000 0.457 5200 A N 0.092 122.667 122.820 -0.409 0.000 1.948 5200 A HA -0.332 3.984 4.320 -0.005 0.000 0.220 5200 A C 2.094 179.531 177.584 -0.245 0.000 1.177 5200 A CA 2.611 54.242 52.037 -0.676 0.000 0.636 5200 A CB -0.890 17.524 19.000 -0.976 0.000 0.815 5200 A HN 0.829 nan 8.150 nan 0.000 0.449 5201 H N -0.998 117.920 119.070 -0.253 0.000 2.256 5201 H HA -0.180 4.373 4.556 -0.005 0.000 0.299 5201 H C 1.905 177.148 175.328 -0.142 0.000 1.071 5201 H CA 2.345 58.261 56.048 -0.220 0.000 1.280 5201 H CB -0.449 29.107 29.762 -0.343 0.000 1.370 5201 H HN 0.619 nan 8.280 nan 0.000 0.490 5202 H N -0.776 118.305 119.070 0.018 0.000 2.518 5202 H HA -0.034 4.519 4.556 -0.005 0.000 0.292 5202 H C 2.114 177.426 175.328 -0.028 0.000 1.068 5202 H CA 1.347 57.406 56.048 0.017 0.000 1.275 5202 H CB 0.015 29.862 29.762 0.141 0.000 1.375 5202 H HN 0.408 nan 8.280 nan 0.000 0.563 5203 I N -0.530 120.075 120.570 0.059 0.000 2.494 5203 I HA -0.103 4.064 4.170 -0.005 0.000 0.250 5203 I C 2.444 178.741 176.117 0.300 0.000 1.112 5203 I CA 0.662 62.057 61.300 0.159 0.000 1.438 5203 I CB -0.100 38.022 38.000 0.204 0.000 1.111 5203 I HN 0.326 nan 8.210 nan 0.000 0.431 5204 A N 0.832 123.787 122.820 0.226 0.000 1.832 5204 A HA -0.079 4.238 4.320 -0.005 0.000 0.214 5204 A C 2.464 180.078 177.584 0.050 0.000 1.204 5204 A CA 1.539 53.691 52.037 0.193 0.000 0.606 5204 A CB -1.090 18.040 19.000 0.217 0.000 0.849 5204 A HN 0.364 nan 8.150 nan 0.000 0.445 5205 A N -0.597 122.137 122.820 -0.142 0.000 2.139 5205 A HA 0.075 4.392 4.320 -0.005 0.000 0.221 5205 A C 2.208 179.768 177.584 -0.040 0.000 1.159 5205 A CA 1.987 53.913 52.037 -0.185 0.000 0.662 5205 A CB -1.189 17.483 19.000 -0.548 0.000 0.796 5205 A HN 0.743 nan 8.150 nan 0.000 0.463 5206 G N -0.105 108.729 108.800 0.055 0.000 2.395 5206 G HA2 -0.087 3.870 3.960 -0.005 0.000 0.214 5206 G HA3 -0.087 3.870 3.960 -0.005 0.000 0.214 5206 G C 1.512 176.486 174.900 0.124 0.000 1.177 5206 G CA 0.939 46.140 45.100 0.169 0.000 0.794 5206 G HN 0.460 nan 8.290 nan 0.000 0.532 5207 I N 0.525 121.173 120.570 0.129 0.000 2.163 5207 I HA -0.139 4.027 4.170 -0.005 0.000 0.240 5207 I C 2.734 178.865 176.117 0.023 0.000 1.081 5207 I CA 0.555 61.865 61.300 0.017 0.000 1.353 5207 I CB -0.238 37.778 38.000 0.026 0.000 1.054 5207 I HN -0.014 nan 8.210 nan 0.000 0.407 5208 V N 1.100 121.039 119.914 0.041 0.000 2.688 5208 V HA -0.220 3.897 4.120 -0.005 0.000 0.256 5208 V C 2.346 178.465 176.094 0.041 0.000 1.084 5208 V CA 2.010 64.334 62.300 0.039 0.000 1.103 5208 V CB -1.206 30.639 31.823 0.037 0.000 0.688 5208 V HN 0.613 nan 8.190 nan 0.000 0.480 5209 G N -0.759 108.062 108.800 0.035 0.000 2.492 5209 G HA2 -0.039 3.918 3.960 -0.005 0.000 0.214 5209 G HA3 -0.039 3.918 3.960 -0.005 0.000 0.214 5209 G C 1.496 176.413 174.900 0.028 0.000 1.147 5209 G CA 0.294 45.413 45.100 0.032 0.000 0.809 5209 G HN 0.465 nan 8.290 nan 0.000 0.533 5210 I N 0.448 121.022 120.570 0.007 0.000 2.233 5210 I HA -0.074 4.093 4.170 -0.005 0.000 0.243 5210 I C 2.616 178.830 176.117 0.162 0.000 1.093 5210 I CA 0.698 62.003 61.300 0.007 0.000 1.380 5210 I CB -0.232 37.719 38.000 -0.082 0.000 1.067 5210 I HN 0.114 nan 8.210 nan 0.000 0.413 5211 I N 1.205 121.840 120.570 0.108 0.000 2.069 5211 I HA -0.352 3.815 4.170 -0.005 0.000 0.237 5211 I C 2.852 179.076 176.117 0.180 0.000 1.053 5211 I CA 1.735 63.114 61.300 0.132 0.000 1.311 5211 I CB -0.537 37.515 38.000 0.088 0.000 1.030 5211 I HN 0.195 nan 8.210 nan 0.000 0.398 5212 A N 0.791 123.697 122.820 0.144 0.000 1.986 5212 A HA -0.199 4.118 4.320 -0.005 0.000 0.220 5212 A C 2.359 180.103 177.584 0.267 0.000 1.171 5212 A CA 2.115 54.255 52.037 0.172 0.000 0.640 5212 A CB -1.497 17.562 19.000 0.098 0.000 0.811 5212 A HN 0.557 nan 8.150 nan 0.000 0.451 5213 G N -0.116 108.804 108.800 0.200 0.000 2.414 5213 G HA2 -0.152 3.805 3.960 -0.005 0.000 0.215 5213 G HA3 -0.152 3.805 3.960 -0.005 0.000 0.215 5213 G C 1.540 176.569 174.900 0.214 0.000 1.188 5213 G CA 0.988 46.201 45.100 0.189 0.000 0.783 5213 G HN 0.447 nan 8.290 nan 0.000 0.537 5214 L N -0.517 120.836 121.223 0.216 0.000 2.013 5214 L HA -0.113 4.224 4.340 -0.005 0.000 0.212 5214 L C 2.555 179.491 176.870 0.110 0.000 1.073 5214 L CA 1.605 56.488 54.840 0.072 0.000 0.753 5214 L CB -0.669 41.431 42.059 0.068 0.000 0.890 5214 L HN 0.275 nan 8.230 nan 0.000 0.432 5215 F N 0.800 120.769 119.950 0.031 0.000 2.024 5215 F HA -0.371 4.153 4.527 -0.005 0.000 0.296 5215 F C 2.576 178.347 175.800 -0.048 0.000 1.137 5215 F CA 2.269 60.256 58.000 -0.022 0.000 1.200 5215 F CB -0.370 38.608 39.000 -0.037 0.000 0.954 5215 F HN 0.080 nan 8.300 nan 0.000 0.497 5216 H N -0.064 119.305 119.070 0.499 0.000 2.489 5216 H HA -0.079 4.474 4.556 -0.005 0.000 0.293 5216 H C 2.180 177.569 175.328 0.102 0.000 1.066 5216 H CA 1.725 57.971 56.048 0.329 0.000 1.305 5216 H CB -0.284 29.617 29.762 0.232 0.000 1.386 5216 H HN 0.368 nan 8.280 nan 0.000 0.551 5217 I N -0.181 120.467 120.570 0.130 0.000 2.546 5217 I HA -0.182 3.985 4.170 -0.005 0.000 0.255 5217 I C 1.336 177.434 176.117 -0.032 0.000 1.163 5217 I CA 0.987 62.298 61.300 0.017 0.000 1.457 5217 I CB 0.101 38.064 38.000 -0.063 0.000 1.092 5217 I HN 0.250 nan 8.210 nan 0.000 0.434 5218 L N -0.818 120.357 121.223 -0.081 0.000 2.356 5218 L HA 0.145 4.482 4.340 -0.005 0.000 0.193 5218 L C 0.790 177.541 176.870 -0.198 0.000 1.087 5218 L CA 0.140 54.895 54.840 -0.143 0.000 0.817 5218 L CB -0.360 41.593 42.059 -0.177 0.000 1.035 5218 L HN -0.210 nan 8.230 nan 0.000 0.482 5219 V N 2.342 122.028 119.914 -0.379 0.000 2.521 5219 V HA 0.130 4.247 4.120 -0.005 0.000 0.286 5219 V C 0.544 176.547 176.094 -0.152 0.000 1.034 5219 V CA -0.334 61.721 62.300 -0.409 0.000 1.045 5219 V CB 0.624 31.867 31.823 -0.967 0.000 0.974 5219 V HN 0.221 nan 8.190 nan 0.000 0.480 5220 R N 5.413 125.870 120.500 -0.071 0.000 2.560 5220 R HA 0.362 4.699 4.340 -0.005 0.000 0.270 5220 R C -2.231 174.117 176.300 0.079 0.000 1.074 5220 R CA -1.815 54.302 56.100 0.028 0.000 1.140 5220 R CB 0.583 30.891 30.300 0.013 0.000 1.073 5220 R HN 0.510 nan 8.270 nan 0.000 0.527 5221 P HA 0.202 nan 4.420 nan 0.000 0.276 5221 P C -2.494 174.891 177.300 0.141 0.000 1.253 5221 P CA -1.322 61.889 63.100 0.184 0.000 0.766 5221 P CB -0.105 31.754 31.700 0.264 0.000 0.845 5222 P HA -0.107 nan 4.420 nan 0.000 0.261 5222 P C 1.394 178.745 177.300 0.084 0.000 1.165 5222 P CA 0.320 63.467 63.100 0.078 0.000 0.759 5222 P CB 0.295 32.039 31.700 0.073 0.000 0.772 5223 Q N 4.445 124.271 119.800 0.044 0.000 2.065 5223 Q HA -0.356 3.980 4.340 -0.005 0.000 0.213 5223 Q C 2.325 178.364 176.000 0.065 0.000 1.012 5223 Q CA 3.106 58.924 55.803 0.026 0.000 0.876 5223 Q CB -0.546 28.188 28.738 -0.007 0.000 0.954 5223 Q HN 0.480 nan 8.270 nan 0.000 0.413 5224 R N 0.638 121.168 120.500 0.050 0.000 2.112 5224 R HA -0.163 4.174 4.340 -0.005 0.000 0.242 5224 R C 2.634 178.974 176.300 0.067 0.000 1.137 5224 R CA 2.067 58.196 56.100 0.047 0.000 0.944 5224 R CB -1.665 28.655 30.300 0.032 0.000 0.857 5224 R HN 0.486 nan 8.270 nan 0.000 0.435 5225 L N -1.697 119.574 121.223 0.080 0.000 2.046 5225 L HA -0.114 4.223 4.340 -0.005 0.000 0.208 5225 L C 2.744 179.675 176.870 0.101 0.000 1.077 5225 L CA 1.744 56.630 54.840 0.076 0.000 0.747 5225 L CB -0.569 41.536 42.059 0.076 0.000 0.896 5225 L HN 0.563 nan 8.230 nan 0.000 0.432 5226 Y N 0.941 121.248 120.300 0.012 0.000 2.256 5226 Y HA -0.288 4.259 4.550 -0.005 0.000 0.288 5226 Y C 2.543 178.438 175.900 -0.008 0.000 1.155 5226 Y CA 1.541 59.645 58.100 0.007 0.000 1.203 5226 Y CB 0.091 38.558 38.460 0.011 0.000 0.980 5226 Y HN 0.068 nan 8.280 nan 0.000 0.530 5227 K N -0.271 120.269 120.400 0.234 0.000 2.021 5227 K HA -0.048 4.268 4.320 -0.005 0.000 0.205 5227 K C 2.371 178.995 176.600 0.038 0.000 1.047 5227 K CA 0.692 57.063 56.287 0.139 0.000 0.943 5227 K CB -0.486 32.066 32.500 0.086 0.000 0.725 5227 K HN 0.315 nan 8.250 nan 0.000 0.439 5228 A N 2.401 125.234 122.820 0.023 0.000 1.862 5228 A HA -0.189 4.128 4.320 -0.005 0.000 0.217 5228 A C 1.588 179.147 177.584 -0.042 0.000 1.251 5228 A CA 1.563 53.593 52.037 -0.013 0.000 0.673 5228 A CB -1.228 17.771 19.000 -0.003 0.000 0.843 5228 A HN 0.282 nan 8.150 nan 0.000 0.458 5229 L N 0.894 122.087 121.223 -0.051 0.000 2.803 5229 L HA 0.059 4.396 4.340 -0.005 0.000 0.241 5229 L C 0.047 176.839 176.870 -0.129 0.000 1.404 5229 L CA -0.558 54.233 54.840 -0.082 0.000 1.211 5229 L CB -0.670 41.341 42.059 -0.081 0.000 1.585 5229 L HN 0.271 nan 8.230 nan 0.000 0.430 5230 R N -0.082 120.349 120.500 -0.114 0.000 1.532 5230 R HA -0.215 4.122 4.340 -0.005 0.000 0.182 5230 R C 0.383 176.542 176.300 -0.235 0.000 0.534 5230 R CA 0.585 56.603 56.100 -0.135 0.000 0.334 5230 R CB -1.507 28.728 30.300 -0.108 0.000 1.580 5230 R HN 0.465 nan 8.270 nan 0.000 0.572 5231 M N -0.207 119.133 119.600 -0.433 0.000 1.887 5231 M HA 0.096 4.573 4.480 -0.005 0.000 0.205 5231 M C 1.956 177.930 176.300 -0.543 0.000 1.315 5231 M CA 2.110 57.039 55.300 -0.619 0.000 0.919 5231 M CB -0.007 31.906 32.600 -1.144 0.000 1.230 5231 M HN 0.608 nan 8.290 nan 0.000 0.381 5232 G N 0.083 108.637 108.800 -0.410 0.000 2.382 5232 G HA2 -0.365 3.592 3.960 -0.005 0.000 0.259 5232 G HA3 -0.365 3.592 3.960 -0.005 0.000 0.259 5232 G C 0.295 175.147 174.900 -0.080 0.000 1.009 5232 G CA 0.868 45.896 45.100 -0.121 0.000 0.625 5232 G HN 0.844 nan 8.290 nan 0.000 0.541 5233 N N 0.228 118.854 118.700 -0.122 0.000 2.527 5233 N HA 0.483 5.220 4.740 -0.005 0.000 0.236 5233 N C 1.615 177.065 175.510 -0.100 0.000 0.999 5233 N CA -0.278 52.715 53.050 -0.094 0.000 0.935 5233 N CB 0.341 38.768 38.487 -0.099 0.000 1.132 5233 N HN 0.245 nan 8.380 nan 0.000 0.511 5234 I N 2.844 123.365 120.570 -0.081 0.000 2.300 5234 I HA -0.254 3.913 4.170 -0.005 0.000 0.252 5234 I C 1.831 177.898 176.117 -0.083 0.000 1.119 5234 I CA 1.431 62.685 61.300 -0.076 0.000 1.384 5234 I CB 0.050 38.010 38.000 -0.067 0.000 1.062 5234 I HN 0.703 nan 8.210 nan 0.000 0.426 5235 E N -0.465 119.681 120.200 -0.090 0.000 2.520 5235 E HA -0.195 4.151 4.350 -0.005 0.000 0.201 5235 E C 1.458 178.006 176.600 -0.088 0.000 1.122 5235 E CA 0.727 57.069 56.400 -0.096 0.000 0.896 5235 E CB 0.021 29.665 29.700 -0.094 0.000 0.891 5235 E HN 0.363 nan 8.360 nan 0.000 0.533 5236 T N -1.646 112.852 114.554 -0.093 0.000 3.001 5236 T HA 0.083 4.430 4.350 -0.005 0.000 0.251 5236 T C 1.352 176.002 174.700 -0.084 0.000 1.040 5236 T CA 0.119 62.166 62.100 -0.088 0.000 0.985 5236 T CB 0.456 69.256 68.868 -0.113 0.000 1.011 5236 T HN 0.016 nan 8.240 nan 0.000 0.509 5237 V N 1.416 121.277 119.914 -0.089 0.000 2.649 5237 V HA 0.084 4.200 4.120 -0.005 0.000 0.248 5237 V C 2.331 178.390 176.094 -0.058 0.000 1.054 5237 V CA 0.901 63.148 62.300 -0.088 0.000 1.073 5237 V CB -0.299 31.482 31.823 -0.071 0.000 0.699 5237 V HN 0.375 nan 8.190 nan 0.000 0.463 5238 L N 0.348 121.532 121.223 -0.064 0.000 2.046 5238 L HA -0.124 4.213 4.340 -0.005 0.000 0.208 5238 L C 2.478 179.343 176.870 -0.010 0.000 1.077 5238 L CA 2.151 56.946 54.840 -0.076 0.000 0.747 5238 L CB -0.492 41.446 42.059 -0.202 0.000 0.896 5238 L HN 0.285 nan 8.230 nan 0.000 0.432 5239 S N -0.921 114.798 115.700 0.030 0.000 2.402 5239 S HA -0.141 4.326 4.470 -0.005 0.000 0.229 5239 S C 2.048 176.772 174.600 0.207 0.000 1.021 5239 S CA 1.155 59.457 58.200 0.169 0.000 0.974 5239 S CB -0.479 62.789 63.200 0.114 0.000 0.800 5239 S HN 0.758 nan 8.310 nan 0.000 0.484 5240 S N 1.789 117.523 115.700 0.057 0.000 2.371 5240 S HA -0.012 4.455 4.470 -0.005 0.000 0.224 5240 S C 1.949 176.519 174.600 -0.051 0.000 1.029 5240 S CA 1.132 59.320 58.200 -0.019 0.000 0.978 5240 S CB -0.534 62.614 63.200 -0.087 0.000 0.833 5240 S HN 0.355 nan 8.310 nan 0.000 0.466 5241 S N 2.115 117.804 115.700 -0.019 0.000 2.345 5241 S HA 0.183 4.650 4.470 -0.005 0.000 0.219 5241 S C 1.807 176.429 174.600 0.037 0.000 1.031 5241 S CA 1.138 59.336 58.200 -0.003 0.000 0.984 5241 S CB -0.596 62.611 63.200 0.012 0.000 0.874 5241 S HN 0.464 nan 8.310 nan 0.000 0.451 5242 I N 1.816 122.457 120.570 0.117 0.000 2.399 5242 I HA -0.290 3.877 4.170 -0.005 0.000 0.254 5242 I C 2.499 178.739 176.117 0.204 0.000 1.146 5242 I CA 1.098 62.562 61.300 0.274 0.000 1.412 5242 I CB -0.382 37.812 38.000 0.323 0.000 1.076 5242 I HN 0.284 nan 8.210 nan 0.000 0.432 5243 A N 0.257 123.021 122.820 -0.093 0.000 1.930 5243 A HA 0.022 4.339 4.320 -0.005 0.000 0.215 5243 A C 2.486 179.607 177.584 -0.773 0.000 1.176 5243 A CA 1.402 53.047 52.037 -0.652 0.000 0.632 5243 A CB -0.465 18.051 19.000 -0.806 0.000 0.819 5243 A HN 0.412 nan 8.150 nan 0.000 0.445 5244 A N -0.851 121.786 122.820 -0.304 0.000 1.903 5244 A HA 0.140 4.456 4.320 -0.005 0.000 0.213 5244 A C 2.144 179.715 177.584 -0.022 0.000 1.185 5244 A CA 1.301 53.272 52.037 -0.110 0.000 0.628 5244 A CB -0.810 18.179 19.000 -0.017 0.000 0.830 5244 A HN 0.305 nan 8.150 nan 0.000 0.446 5245 V N 0.152 120.060 119.914 -0.011 0.000 2.392 5245 V HA -0.250 3.867 4.120 -0.005 0.000 0.249 5245 V C 2.360 178.491 176.094 0.061 0.000 1.059 5245 V CA 2.288 64.596 62.300 0.014 0.000 1.051 5245 V CB -0.914 30.921 31.823 0.019 0.000 0.658 5245 V HN 0.800 nan 8.190 nan 0.000 0.455 5246 F N -0.811 119.222 119.950 0.137 0.000 2.615 5246 F HA 0.049 4.573 4.527 -0.005 0.000 0.297 5246 F C 1.803 177.773 175.800 0.284 0.000 1.124 5246 F CA 0.506 58.595 58.000 0.148 0.000 1.451 5246 F CB -1.086 38.101 39.000 0.312 0.000 1.103 5246 F HN 0.192 nan 8.300 nan 0.000 0.569 5247 F N 1.969 121.940 119.950 0.036 0.000 2.128 5247 F HA 0.171 4.695 4.527 -0.006 0.000 0.295 5247 F C 2.321 178.227 175.800 0.176 0.000 1.100 5247 F CA 1.199 59.284 58.000 0.142 0.000 1.260 5247 F CB -1.054 37.869 39.000 -0.130 0.000 1.009 5247 F HN 0.047 nan 8.300 nan 0.000 0.476 5248 A N 1.076 123.817 122.820 -0.132 0.000 1.873 5248 A HA -0.132 4.185 4.320 -0.005 0.000 0.218 5248 A C 2.509 180.029 177.584 -0.106 0.000 1.193 5248 A CA 2.504 54.407 52.037 -0.223 0.000 0.629 5248 A CB -1.712 17.240 19.000 -0.080 0.000 0.826 5248 A HN 0.583 nan 8.150 nan 0.000 0.447 5249 A N -0.948 121.869 122.820 -0.005 0.000 1.859 5249 A HA -0.154 4.163 4.320 -0.005 0.000 0.218 5249 A C 1.902 179.502 177.584 0.027 0.000 1.209 5249 A CA 1.908 53.949 52.037 0.006 0.000 0.639 5249 A CB -1.114 17.839 19.000 -0.080 0.000 0.835 5249 A HN 0.505 nan 8.150 nan 0.000 0.450 5250 F N -0.181 119.827 119.950 0.096 0.000 2.271 5250 F HA -0.164 4.359 4.527 -0.006 0.000 0.302 5250 F C 2.224 178.032 175.800 0.012 0.000 1.063 5250 F CA 1.460 59.507 58.000 0.079 0.000 1.362 5250 F CB -0.315 38.781 39.000 0.160 0.000 1.060 5250 F HN 0.040 nan 8.300 nan 0.000 0.521 5251 V N -0.917 119.046 119.914 0.081 0.000 2.725 5251 V HA -0.131 3.986 4.120 -0.005 0.000 0.247 5251 V C 2.214 178.306 176.094 -0.003 0.000 1.058 5251 V CA 1.205 63.488 62.300 -0.029 0.000 1.080 5251 V CB -0.391 31.278 31.823 -0.257 0.000 0.713 5251 V HN 0.264 nan 8.190 nan 0.000 0.465 5252 V N -1.152 118.773 119.914 0.018 0.000 2.719 5252 V HA 0.103 4.220 4.120 -0.005 0.000 0.252 5252 V C 2.408 178.592 176.094 0.149 0.000 1.065 5252 V CA 1.486 63.818 62.300 0.053 0.000 1.086 5252 V CB -0.901 30.980 31.823 0.097 0.000 0.700 5252 V HN 0.328 nan 8.190 nan 0.000 0.467 5253 A N 1.582 124.502 122.820 0.168 0.000 1.897 5253 A HA 0.145 4.462 4.320 -0.005 0.000 0.215 5253 A C 2.339 179.995 177.584 0.119 0.000 1.181 5253 A CA 1.723 53.874 52.037 0.190 0.000 0.620 5253 A CB -1.339 17.728 19.000 0.112 0.000 0.821 5253 A HN 0.624 nan 8.150 nan 0.000 0.443 5254 G N -0.332 108.525 108.800 0.095 0.000 2.404 5254 G HA2 -0.172 3.785 3.960 -0.005 0.000 0.215 5254 G HA3 -0.172 3.785 3.960 -0.005 0.000 0.215 5254 G C 1.717 176.646 174.900 0.049 0.000 1.174 5254 G CA 1.925 47.052 45.100 0.044 0.000 0.780 5254 G HN 0.682 nan 8.290 nan 0.000 0.537 5255 T N -1.551 113.031 114.554 0.048 0.000 3.007 5255 T HA -0.012 4.334 4.350 -0.005 0.000 0.270 5255 T C 2.175 176.831 174.700 -0.075 0.000 1.107 5255 T CA 1.513 63.609 62.100 -0.006 0.000 1.118 5255 T CB -0.095 68.724 68.868 -0.082 0.000 0.889 5255 T HN 0.147 nan 8.240 nan 0.000 0.506 5256 M N -0.291 119.268 119.600 -0.068 0.000 2.357 5256 M HA 0.302 4.779 4.480 -0.005 0.000 0.266 5256 M C 1.911 178.222 176.300 0.019 0.000 1.095 5256 M CA 0.607 55.822 55.300 -0.142 0.000 1.156 5256 M CB -0.700 31.834 32.600 -0.111 0.000 1.365 5256 M HN 0.479 nan 8.290 nan 0.000 0.447 5257 W N -0.034 121.167 121.300 -0.165 0.000 2.409 5257 W HA -0.119 4.539 4.660 -0.005 0.000 0.299 5257 W C 0.059 176.533 176.519 -0.075 0.000 1.203 5257 W CA 0.831 58.072 57.345 -0.173 0.000 1.298 5257 W CB -0.040 29.225 29.460 -0.325 0.000 1.127 5257 W HN 0.098 nan 8.180 nan 0.000 0.528 5258 Y N -0.133 120.245 120.300 0.130 0.000 2.540 5258 Y HA 0.412 4.959 4.550 -0.005 0.000 0.371 5258 Y C 1.507 177.382 175.900 -0.042 0.000 1.337 5258 Y CA -0.425 57.651 58.100 -0.040 0.000 1.590 5258 Y CB -0.636 37.767 38.460 -0.094 0.000 1.676 5258 Y HN -0.264 nan 8.280 nan 0.000 0.614 5259 G N -0.445 108.484 108.800 0.215 0.000 2.489 5259 G HA2 0.399 4.356 3.960 -0.005 0.000 0.271 5259 G HA3 0.399 4.356 3.960 -0.005 0.000 0.271 5259 G C -0.840 174.118 174.900 0.096 0.000 1.427 5259 G CA 0.172 45.423 45.100 0.252 0.000 1.057 5259 G HN 0.622 nan 8.290 nan 0.000 0.532 5260 S N -3.882 111.895 115.700 0.128 0.000 2.972 5260 S HA 0.277 4.744 4.470 -0.005 0.000 0.259 5260 S C 0.494 175.096 174.600 0.003 0.000 0.686 5260 S CA 0.611 58.713 58.200 -0.164 0.000 0.797 5260 S CB -0.446 62.648 63.200 -0.176 0.000 1.004 5260 S HN 1.946 nan 8.310 nan 0.000 0.580 5261 A N 3.306 126.121 122.820 -0.008 0.000 2.248 5261 A HA 0.172 4.489 4.320 -0.005 0.000 0.210 5261 A C 1.697 179.306 177.584 0.040 0.000 1.174 5261 A CA 1.876 53.948 52.037 0.058 0.000 0.750 5261 A CB -0.598 18.424 19.000 0.036 0.000 0.780 5261 A HN 0.915 nan 8.150 nan 0.000 0.478 5262 T N -0.767 113.771 114.554 -0.027 0.000 3.060 5262 T HA 0.094 4.441 4.350 -0.005 0.000 0.249 5262 T C 0.424 175.060 174.700 -0.106 0.000 1.079 5262 T CA 0.956 63.035 62.100 -0.034 0.000 1.013 5262 T CB 0.078 68.904 68.868 -0.070 0.000 0.975 5262 T HN 0.326 nan 8.240 nan 0.000 0.518 5263 T N 3.814 118.284 114.554 -0.140 0.000 3.444 5263 T HA 0.305 4.651 4.350 -0.005 0.000 0.265 5263 T C -2.750 171.946 174.700 -0.007 0.000 1.537 5263 T CA -1.140 60.779 62.100 -0.300 0.000 1.530 5263 T CB 0.834 69.444 68.868 -0.429 0.000 0.958 5263 T HN 0.070 nan 8.240 nan 0.000 0.684 5264 P HA 0.083 nan 4.420 nan 0.000 0.265 5264 P C 1.161 178.527 177.300 0.110 0.000 1.187 5264 P CA -0.129 63.074 63.100 0.172 0.000 0.766 5264 P CB 0.330 32.137 31.700 0.177 0.000 0.820 5265 I N -0.486 120.120 120.570 0.060 0.000 3.564 5265 I HA 0.072 4.239 4.170 -0.005 0.000 0.294 5265 I C 0.722 176.799 176.117 -0.067 0.000 1.289 5265 I CA 0.862 62.119 61.300 -0.072 0.000 1.325 5265 I CB -0.553 37.356 38.000 -0.152 0.000 1.039 5265 I HN 0.268 nan 8.210 nan 0.000 0.474 5266 E N 0.898 121.142 120.200 0.073 0.000 2.476 5266 E HA 0.194 4.540 4.350 -0.005 0.000 0.199 5266 E C 1.828 178.406 176.600 -0.036 0.000 1.021 5266 E CA 0.151 56.674 56.400 0.206 0.000 0.907 5266 E CB 0.487 30.439 29.700 0.419 0.000 0.974 5266 E HN 0.551 nan 8.360 nan 0.000 0.489 5267 L N -0.585 120.431 121.223 -0.345 0.000 2.362 5267 L HA 0.220 4.556 4.340 -0.005 0.000 0.204 5267 L C 0.409 176.897 176.870 -0.636 0.000 1.060 5267 L CA 0.316 54.775 54.840 -0.634 0.000 0.827 5267 L CB 0.178 41.644 42.059 -0.989 0.000 1.027 5267 L HN -0.026 nan 8.230 nan 0.000 0.474 5268 F N -0.410 119.392 119.950 -0.248 0.000 2.572 5268 F HA 0.612 5.136 4.527 -0.005 0.000 0.342 5268 F C 1.113 176.613 175.800 -0.501 0.000 1.064 5268 F CA -0.930 56.944 58.000 -0.209 0.000 1.008 5268 F CB 0.290 39.160 39.000 -0.217 0.000 1.303 5268 F HN -0.212 nan 8.300 nan 0.000 0.492 5269 G N -0.144 108.450 108.800 -0.343 0.000 2.553 5269 G HA2 0.474 4.430 3.960 -0.005 0.000 0.278 5269 G HA3 0.474 4.430 3.960 -0.005 0.000 0.278 5269 G C -2.773 171.734 174.900 -0.655 0.000 1.349 5269 G CA -1.337 43.168 45.100 -0.991 0.000 1.037 5269 G HN 0.293 nan 8.290 nan 0.000 0.508 5270 P HA 0.231 nan 4.420 nan 0.000 0.273 5270 P C 0.108 177.249 177.300 -0.265 0.000 1.250 5270 P CA -0.013 62.890 63.100 -0.327 0.000 0.793 5270 P CB 0.688 32.270 31.700 -0.196 0.000 1.011 5271 T N 0.322 114.761 114.554 -0.191 0.000 2.913 5271 T HA 0.151 4.498 4.350 -0.005 0.000 0.287 5271 T C 1.436 175.957 174.700 -0.298 0.000 1.008 5271 T CA -0.370 61.572 62.100 -0.264 0.000 1.067 5271 T CB 0.397 69.176 68.868 -0.149 0.000 0.996 5271 T HN 0.380 nan 8.240 nan 0.000 0.513 5272 R N 1.367 121.520 120.500 -0.579 0.000 2.235 5272 R HA -0.022 4.314 4.340 -0.005 0.000 0.213 5272 R C 0.845 176.859 176.300 -0.476 0.000 1.059 5272 R CA 1.548 57.314 56.100 -0.556 0.000 0.997 5272 R CB -0.369 29.476 30.300 -0.759 0.000 0.884 5272 R HN 0.615 nan 8.270 nan 0.000 0.462 5273 Y N 1.396 121.611 120.300 -0.142 0.000 2.475 5273 Y HA 0.106 4.652 4.550 -0.005 0.000 0.289 5273 Y C 2.033 177.885 175.900 -0.080 0.000 1.121 5273 Y CA 0.584 58.635 58.100 -0.082 0.000 1.257 5273 Y CB 0.026 38.426 38.460 -0.099 0.000 1.026 5273 Y HN 0.131 nan 8.280 nan 0.000 0.555 5274 Q N -0.899 118.906 119.800 0.009 0.000 2.297 5274 Q HA -0.184 4.153 4.340 -0.005 0.000 0.204 5274 Q C 1.893 178.026 176.000 0.221 0.000 0.962 5274 Q CA 1.079 56.891 55.803 0.016 0.000 0.879 5274 Q CB -0.351 28.392 28.738 0.008 0.000 0.947 5274 Q HN 0.703 nan 8.270 nan 0.000 0.462 5275 W N 2.002 123.324 121.300 0.036 0.000 2.539 5275 W HA -0.064 4.593 4.660 -0.005 0.000 0.281 5275 W C 0.559 177.083 176.519 0.009 0.000 1.220 5275 W CA 0.663 58.039 57.345 0.052 0.000 1.332 5275 W CB 0.185 29.627 29.460 -0.030 0.000 1.095 5275 W HN 0.091 nan 8.180 nan 0.000 0.571 5276 D N 0.824 121.218 120.400 -0.010 0.000 2.123 5276 D HA -0.180 4.457 4.640 -0.005 0.000 0.196 5276 D C 2.026 178.240 176.300 -0.144 0.000 0.992 5276 D CA 2.401 56.342 54.000 -0.098 0.000 0.833 5276 D CB -0.586 40.204 40.800 -0.017 0.000 0.954 5276 D HN 0.182 nan 8.370 nan 0.000 0.455 5277 S N -0.754 114.903 115.700 -0.072 0.000 2.614 5277 S HA 0.175 4.642 4.470 -0.005 0.000 0.230 5277 S C 0.473 175.042 174.600 -0.053 0.000 0.952 5277 S CA -0.238 57.929 58.200 -0.055 0.000 0.949 5277 S CB 0.295 63.491 63.200 -0.008 0.000 0.786 5277 S HN -0.016 nan 8.310 nan 0.000 0.478 5278 S N 0.873 116.495 115.700 -0.129 0.000 3.486 5278 S HA -0.255 4.212 4.470 -0.005 0.000 0.371 5278 S C 0.475 175.106 174.600 0.051 0.000 1.001 5278 S CA 0.823 58.967 58.200 -0.094 0.000 1.164 5278 S CB -2.280 60.837 63.200 -0.137 0.000 0.911 5278 S HN 0.799 nan 8.310 nan 0.000 0.472 5279 Y N 1.379 121.642 120.300 -0.062 0.000 2.030 5279 Y HA -0.244 4.303 4.550 -0.005 0.000 0.274 5279 Y C 1.626 177.490 175.900 -0.059 0.000 1.153 5279 Y CA 2.197 60.222 58.100 -0.124 0.000 1.115 5279 Y CB -0.686 37.590 38.460 -0.306 0.000 0.969 5279 Y HN 0.404 nan 8.280 nan 0.000 0.488 5280 F N 0.705 120.726 119.950 0.119 0.000 2.171 5280 F HA -0.227 4.296 4.527 -0.006 0.000 0.300 5280 F C 2.821 178.604 175.800 -0.029 0.000 1.090 5280 F CA 1.919 59.924 58.000 0.009 0.000 1.293 5280 F CB -1.096 38.035 39.000 0.218 0.000 1.013 5280 F HN 0.215 nan 8.300 nan 0.000 0.486 5281 Q N 0.442 120.368 119.800 0.210 0.000 2.096 5281 Q HA -0.271 4.066 4.340 -0.005 0.000 0.204 5281 Q C 2.058 178.075 176.000 0.029 0.000 0.982 5281 Q CA 1.902 57.787 55.803 0.135 0.000 0.850 5281 Q CB -0.187 28.611 28.738 0.100 0.000 0.901 5281 Q HN 0.523 nan 8.270 nan 0.000 0.422 5282 Q N 0.195 119.976 119.800 -0.032 0.000 1.975 5282 Q HA -0.256 4.081 4.340 -0.005 0.000 0.205 5282 Q C 2.070 177.987 176.000 -0.138 0.000 0.990 5282 Q CA 1.731 57.487 55.803 -0.078 0.000 0.845 5282 Q CB -0.219 28.473 28.738 -0.077 0.000 0.913 5282 Q HN 0.365 nan 8.270 nan 0.000 0.420 5283 E N 0.989 121.042 120.200 -0.245 0.000 2.147 5283 E HA -0.217 4.130 4.350 -0.005 0.000 0.199 5283 E C 1.643 178.076 176.600 -0.278 0.000 1.005 5283 E CA 1.413 57.590 56.400 -0.371 0.000 0.810 5283 E CB -0.326 28.846 29.700 -0.879 0.000 0.736 5283 E HN 0.379 nan 8.360 nan 0.000 0.460 5284 I N 0.376 120.836 120.570 -0.183 0.000 2.113 5284 I HA -0.309 3.858 4.170 -0.005 0.000 0.238 5284 I C 2.330 178.320 176.117 -0.212 0.000 1.070 5284 I CA 1.318 62.536 61.300 -0.136 0.000 1.332 5284 I CB -0.561 37.456 38.000 0.028 0.000 1.044 5284 I HN 0.211 nan 8.210 nan 0.000 0.402 5285 N N 0.838 119.449 118.700 -0.148 0.000 2.036 5285 N HA -0.246 4.491 4.740 -0.005 0.000 0.195 5285 N C 2.003 177.396 175.510 -0.196 0.000 1.037 5285 N CA 1.218 54.161 53.050 -0.178 0.000 0.855 5285 N CB -0.521 37.920 38.487 -0.078 0.000 1.033 5285 N HN 0.274 nan 8.380 nan 0.000 0.423 5286 R N 2.006 122.412 120.500 -0.156 0.000 2.154 5286 R HA -0.128 4.209 4.340 -0.005 0.000 0.248 5286 R C 1.753 177.958 176.300 -0.158 0.000 1.155 5286 R CA 1.370 57.387 56.100 -0.139 0.000 0.979 5286 R CB -0.182 30.042 30.300 -0.128 0.000 0.869 5286 R HN 0.341 nan 8.270 nan 0.000 0.452 5287 R N -0.527 119.854 120.500 -0.199 0.000 2.052 5287 R HA 0.022 4.359 4.340 -0.005 0.000 0.224 5287 R C 2.477 178.630 176.300 -0.244 0.000 1.149 5287 R CA 1.121 57.104 56.100 -0.196 0.000 0.962 5287 R CB -0.468 29.715 30.300 -0.196 0.000 0.856 5287 R HN 0.016 nan 8.270 nan 0.000 0.433 5288 V N 1.619 121.305 119.914 -0.381 0.000 2.252 5288 V HA -0.307 3.810 4.120 -0.005 0.000 0.249 5288 V C 2.403 178.292 176.094 -0.341 0.000 1.056 5288 V CA 1.975 63.956 62.300 -0.532 0.000 1.022 5288 V CB -0.529 30.703 31.823 -0.987 0.000 0.641 5288 V HN 0.270 nan 8.190 nan 0.000 0.445 5289 Q N -0.176 119.469 119.800 -0.258 0.000 2.135 5289 Q HA -0.165 4.172 4.340 -0.005 0.000 0.204 5289 Q C 2.170 178.095 176.000 -0.125 0.000 0.981 5289 Q CA 2.167 57.875 55.803 -0.158 0.000 0.856 5289 Q CB -0.744 27.924 28.738 -0.117 0.000 0.902 5289 Q HN 0.664 nan 8.270 nan 0.000 0.425 5290 A N -0.759 121.984 122.820 -0.128 0.000 1.845 5290 A HA -0.174 4.143 4.320 -0.005 0.000 0.215 5290 A C 2.287 179.817 177.584 -0.091 0.000 1.195 5290 A CA 1.864 53.844 52.037 -0.095 0.000 0.616 5290 A CB -0.946 18.000 19.000 -0.091 0.000 0.832 5290 A HN 0.398 nan 8.150 nan 0.000 0.443 5291 S N 0.111 115.742 115.700 -0.115 0.000 2.407 5291 S HA -0.195 4.272 4.470 -0.005 0.000 0.235 5291 S C 1.757 176.309 174.600 -0.081 0.000 1.036 5291 S CA 1.710 59.851 58.200 -0.097 0.000 1.013 5291 S CB -0.570 62.554 63.200 -0.126 0.000 0.820 5291 S HN 0.484 nan 8.310 nan 0.000 0.476 5292 L N 0.838 122.003 121.223 -0.096 0.000 2.072 5292 L HA -0.048 4.288 4.340 -0.005 0.000 0.205 5292 L C 2.781 179.623 176.870 -0.047 0.000 1.079 5292 L CA 1.095 55.894 54.840 -0.069 0.000 0.752 5292 L CB -0.697 41.316 42.059 -0.077 0.000 0.906 5292 L HN 0.327 nan 8.230 nan 0.000 0.436 5293 A N -0.552 122.238 122.820 -0.050 0.000 2.019 5293 A HA -0.152 4.164 4.320 -0.005 0.000 0.219 5293 A C 2.301 179.868 177.584 -0.030 0.000 1.164 5293 A CA 1.810 53.825 52.037 -0.036 0.000 0.644 5293 A CB -0.463 18.514 19.000 -0.038 0.000 0.805 5293 A HN 0.403 nan 8.150 nan 0.000 0.449 5294 S N -0.838 114.842 115.700 -0.034 0.000 2.603 5294 S HA 0.363 4.830 4.470 -0.005 0.000 0.220 5294 S C 1.044 175.633 174.600 -0.019 0.000 0.967 5294 S CA 0.546 58.731 58.200 -0.025 0.000 0.920 5294 S CB -0.375 62.808 63.200 -0.028 0.000 0.773 5294 S HN 1.680 nan 8.310 nan 0.000 0.529 5295 G N 1.451 110.239 108.800 -0.020 0.000 2.462 5295 G HA2 0.080 4.037 3.960 -0.005 0.000 0.283 5295 G HA3 0.080 4.037 3.960 -0.005 0.000 0.283 5295 G C -0.281 174.614 174.900 -0.009 0.000 1.043 5295 G CA -0.121 44.971 45.100 -0.012 0.000 1.300 5295 G HN 0.847 nan 8.290 nan 0.000 0.518 5296 A N 0.957 123.770 122.820 -0.012 0.000 2.422 5296 A HA 1.115 5.432 4.320 -0.005 0.000 0.302 5296 A C 0.632 178.221 177.584 0.008 0.000 1.041 5296 A CA 0.778 52.813 52.037 -0.003 0.000 0.708 5296 A CB 1.033 20.026 19.000 -0.013 0.000 1.257 5296 A HN 2.305 nan 8.150 nan 0.000 0.414 5297 T N 0.601 115.173 114.554 0.030 0.000 2.908 5297 T HA 0.291 4.638 4.350 -0.005 0.000 0.325 5297 T C 1.206 175.948 174.700 0.070 0.000 1.092 5297 T CA 0.616 62.748 62.100 0.054 0.000 1.125 5297 T CB 0.017 68.929 68.868 0.074 0.000 1.016 5297 T HN 1.300 nan 8.240 nan 0.000 0.550 5298 L N 1.614 122.885 121.223 0.080 0.000 2.013 5298 L HA -0.113 4.224 4.340 -0.005 0.000 0.212 5298 L C 2.502 179.516 176.870 0.240 0.000 1.073 5298 L CA 2.271 57.145 54.840 0.057 0.000 0.753 5298 L CB -0.845 41.145 42.059 -0.115 0.000 0.890 5298 L HN 0.887 nan 8.230 nan 0.000 0.432 5299 E N -0.367 120.057 120.200 0.373 0.000 2.021 5299 E HA -0.299 4.048 4.350 -0.005 0.000 0.200 5299 E C 1.914 178.675 176.600 0.269 0.000 1.015 5299 E CA 1.915 58.564 56.400 0.415 0.000 0.824 5299 E CB -0.337 29.515 29.700 0.255 0.000 0.762 5299 E HN 0.639 nan 8.360 nan 0.000 0.454 5300 E N 0.749 121.046 120.200 0.161 0.000 2.108 5300 E HA -0.291 4.056 4.350 -0.005 0.000 0.203 5300 E C 2.085 178.742 176.600 0.095 0.000 1.022 5300 E CA 1.260 57.724 56.400 0.106 0.000 0.823 5300 E CB -0.309 29.429 29.700 0.063 0.000 0.744 5300 E HN 0.288 nan 8.360 nan 0.000 0.456 5301 A N 0.879 123.735 122.820 0.060 0.000 1.865 5301 A HA -0.191 4.126 4.320 -0.005 0.000 0.217 5301 A C 1.889 179.439 177.584 -0.056 0.000 1.191 5301 A CA 1.539 53.542 52.037 -0.056 0.000 0.623 5301 A CB -1.129 17.766 19.000 -0.175 0.000 0.826 5301 A HN 0.393 nan 8.150 nan 0.000 0.444 5302 W N 0.435 121.798 121.300 0.105 0.000 2.379 5302 W HA -0.093 4.564 4.660 -0.005 0.000 0.307 5302 W C 2.687 179.360 176.519 0.258 0.000 1.200 5302 W CA 1.474 58.940 57.345 0.202 0.000 1.297 5302 W CB -0.406 29.206 29.460 0.253 0.000 1.140 5302 W HN 0.259 nan 8.180 nan 0.000 0.507 5303 S N 0.165 116.110 115.700 0.408 0.000 2.488 5303 S HA -0.181 4.286 4.470 -0.005 0.000 0.246 5303 S C 1.757 176.503 174.600 0.242 0.000 0.992 5303 S CA 1.109 59.478 58.200 0.281 0.000 0.963 5303 S CB -0.557 62.746 63.200 0.173 0.000 0.754 5303 S HN 0.323 nan 8.310 nan 0.000 0.519 5304 A N 1.008 123.946 122.820 0.197 0.000 2.021 5304 A HA 0.227 4.544 4.320 -0.005 0.000 0.216 5304 A C 0.825 178.488 177.584 0.131 0.000 1.163 5304 A CA 0.134 52.243 52.037 0.119 0.000 0.676 5304 A CB -0.120 18.905 19.000 0.043 0.000 0.818 5304 A HN 0.359 nan 8.150 nan 0.000 0.453 5305 I N 2.837 123.525 120.570 0.196 0.000 2.752 5305 I HA 0.045 4.212 4.170 -0.005 0.000 0.286 5305 I C -1.972 174.223 176.117 0.130 0.000 1.180 5305 I CA -1.818 59.568 61.300 0.143 0.000 1.404 5305 I CB -0.276 37.853 38.000 0.215 0.000 1.389 5305 I HN 0.192 nan 8.210 nan 0.000 0.549 5306 P HA 0.037 nan 4.420 nan 0.000 0.266 5306 P C 0.572 177.868 177.300 -0.006 0.000 1.195 5306 P CA -0.074 63.061 63.100 0.060 0.000 0.768 5306 P CB 1.017 32.753 31.700 0.059 0.000 0.838 5307 E N 1.959 122.183 120.200 0.041 0.000 2.051 5307 E HA -0.222 4.124 4.350 -0.005 0.000 0.192 5307 E C 1.892 178.484 176.600 -0.013 0.000 0.991 5307 E CA 1.379 57.780 56.400 0.002 0.000 0.799 5307 E CB -0.127 29.620 29.700 0.078 0.000 0.748 5307 E HN 0.525 nan 8.360 nan 0.000 0.449 5308 K N 1.077 121.479 120.400 0.002 0.000 2.059 5308 K HA -0.197 4.120 4.320 -0.005 0.000 0.212 5308 K C 2.245 178.781 176.600 -0.106 0.000 1.050 5308 K CA 1.160 57.423 56.287 -0.039 0.000 0.927 5308 K CB -0.213 32.296 32.500 0.015 0.000 0.714 5308 K HN 0.094 nan 8.250 nan 0.000 0.447 5309 L N -0.007 121.217 121.223 0.002 0.000 1.994 5309 L HA -0.199 4.138 4.340 -0.005 0.000 0.208 5309 L C 2.388 179.273 176.870 0.027 0.000 1.071 5309 L CA 1.572 56.462 54.840 0.085 0.000 0.745 5309 L CB -0.500 41.603 42.059 0.075 0.000 0.892 5309 L HN 0.352 nan 8.230 nan 0.000 0.431 5310 A N -0.372 122.385 122.820 -0.106 0.000 1.883 5310 A HA -0.319 3.998 4.320 -0.005 0.000 0.217 5310 A C 2.107 179.841 177.584 0.251 0.000 1.186 5310 A CA 1.867 53.820 52.037 -0.139 0.000 0.624 5310 A CB -1.077 17.355 19.000 -0.947 0.000 0.822 5310 A HN 0.501 nan 8.150 nan 0.000 0.444 5311 F N -0.349 119.666 119.950 0.108 0.000 2.120 5311 F HA -0.239 4.285 4.527 -0.005 0.000 0.300 5311 F C 2.138 177.905 175.800 -0.056 0.000 1.095 5311 F CA 1.400 59.340 58.000 -0.099 0.000 1.249 5311 F CB -0.918 37.954 39.000 -0.214 0.000 0.995 5311 F HN 0.424 nan 8.300 nan 0.000 0.480 5312 Y N -1.023 119.199 120.300 -0.130 0.000 2.333 5312 Y HA -0.215 4.331 4.550 -0.006 0.000 0.290 5312 Y C 1.439 177.147 175.900 -0.321 0.000 1.144 5312 Y CA 0.746 58.511 58.100 -0.558 0.000 1.228 5312 Y CB -0.306 37.209 38.460 -1.574 0.000 0.985 5312 Y HN -0.053 nan 8.280 nan 0.000 0.542 5313 D N -0.401 120.092 120.400 0.155 0.000 2.870 5313 D HA -0.035 4.602 4.640 -0.005 0.000 0.241 5313 D C -1.330 175.316 176.300 0.576 0.000 1.234 5313 D CA 0.048 54.303 54.000 0.426 0.000 0.844 5313 D CB -0.798 40.247 40.800 0.409 0.000 1.051 5313 D HN 0.175 nan 8.370 nan 0.000 0.469 5314 Y N 0.160 120.597 120.300 0.228 0.000 2.329 5314 Y HA 0.281 4.828 4.550 -0.005 0.000 0.328 5314 Y C 0.573 176.332 175.900 -0.236 0.000 0.992 5314 Y CA -1.350 56.823 58.100 0.121 0.000 1.151 5314 Y CB 0.648 39.093 38.460 -0.024 0.000 1.150 5314 Y HN -0.034 nan 8.280 nan 0.000 0.450 5315 I N 3.924 123.952 120.570 -0.903 0.000 2.479 5315 I HA -0.244 3.923 4.170 -0.005 0.000 0.258 5315 I C 1.940 177.158 176.117 -1.498 0.000 1.165 5315 I CA 2.194 62.544 61.300 -1.584 0.000 1.422 5315 I CB -0.090 37.038 38.000 -1.453 0.000 1.087 5315 I HN 1.013 nan 8.210 nan 0.000 0.441 5316 G N 0.143 107.699 108.800 -2.073 0.000 2.535 5316 G HA2 -0.213 3.744 3.960 -0.005 0.000 0.218 5316 G HA3 -0.213 3.744 3.960 -0.005 0.000 0.218 5316 G C 1.121 175.546 174.900 -0.792 0.000 1.122 5316 G CA 0.430 44.560 45.100 -1.616 0.000 0.769 5316 G HN 0.401 nan 8.290 nan 0.000 0.549 5317 N N 0.468 118.755 118.700 -0.688 0.000 2.214 5317 N HA 0.027 4.764 4.740 -0.005 0.000 0.214 5317 N C -0.229 175.094 175.510 -0.311 0.000 1.132 5317 N CA -0.207 52.685 53.050 -0.263 0.000 0.856 5317 N CB 0.295 38.724 38.487 -0.097 0.000 1.020 5317 N HN 0.114 nan 8.380 nan 0.000 0.509 5318 N N 2.082 120.476 118.700 -0.511 0.000 2.401 5318 N HA 0.166 4.903 4.740 -0.005 0.000 0.255 5318 N C -1.814 173.486 175.510 -0.350 0.000 1.110 5318 N CA -1.758 51.016 53.050 -0.461 0.000 0.949 5318 N CB 1.487 39.570 38.487 -0.673 0.000 1.110 5318 N HN -0.069 nan 8.380 nan 0.000 0.490 5319 P HA -0.097 nan 4.420 nan 0.000 0.222 5319 P C 0.562 177.832 177.300 -0.050 0.000 1.142 5319 P CA 0.956 63.962 63.100 -0.156 0.000 0.788 5319 P CB 0.267 31.828 31.700 -0.232 0.000 0.767 5320 A N -1.442 121.309 122.820 -0.115 0.000 2.014 5320 A HA -0.086 4.231 4.320 -0.005 0.000 0.218 5320 A C 1.408 178.940 177.584 -0.087 0.000 1.163 5320 A CA 1.093 53.133 52.037 0.005 0.000 0.652 5320 A CB -0.481 18.505 19.000 -0.023 0.000 0.808 5320 A HN 0.052 nan 8.150 nan 0.000 0.449 5321 K N -0.877 119.388 120.400 -0.225 0.000 2.332 5321 K HA 0.472 4.789 4.320 -0.005 0.000 0.246 5321 K C 0.736 177.241 176.600 -0.158 0.000 1.066 5321 K CA 0.699 56.839 56.287 -0.245 0.000 0.898 5321 K CB -0.618 31.562 32.500 -0.533 0.000 1.192 5321 K HN 0.838 nan 8.250 nan 0.000 0.509 5322 G N -1.624 107.126 108.800 -0.084 0.000 2.592 5322 G HA2 0.225 4.182 3.960 -0.005 0.000 0.684 5322 G HA3 0.225 4.182 3.960 -0.005 0.000 0.684 5322 G C -0.458 174.372 174.900 -0.118 0.000 1.291 5322 G CA -0.535 44.515 45.100 -0.084 0.000 0.891 5322 G HN 0.783 nan 8.290 nan 0.000 0.544 5323 G N -1.859 106.854 108.800 -0.144 0.000 2.690 5323 G HA2 0.692 4.648 3.960 -0.005 0.000 0.293 5323 G HA3 0.692 4.648 3.960 -0.005 0.000 0.293 5323 G C 0.708 175.458 174.900 -0.249 0.000 1.399 5323 G CA 0.314 45.320 45.100 -0.157 0.000 0.890 5323 G HN 1.748 nan 8.290 nan 0.000 0.485 5324 L N 0.264 121.297 121.223 -0.317 0.000 2.046 5324 L HA 0.220 4.557 4.340 -0.005 0.000 0.208 5324 L C 1.622 178.218 176.870 -0.456 0.000 1.077 5324 L CA 1.972 56.497 54.840 -0.526 0.000 0.747 5324 L CB -0.539 41.143 42.059 -0.628 0.000 0.896 5324 L HN 0.501 nan 8.230 nan 0.000 0.432 5325 F N -0.685 119.282 119.950 0.028 0.000 2.653 5325 F HA 0.310 4.834 4.527 -0.005 0.000 0.304 5325 F C 0.914 176.762 175.800 0.080 0.000 1.092 5325 F CA -0.336 57.705 58.000 0.067 0.000 1.279 5325 F CB -0.063 38.950 39.000 0.021 0.000 1.044 5325 F HN -0.208 nan 8.300 nan 0.000 0.564 5326 R N 1.740 122.353 120.500 0.188 0.000 3.268 5326 R HA 0.122 4.459 4.340 -0.005 0.000 0.217 5326 R C 0.409 176.836 176.300 0.213 0.000 1.568 5326 R CA -0.147 56.046 56.100 0.155 0.000 1.322 5326 R CB -0.403 29.954 30.300 0.094 0.000 1.280 5326 R HN 0.135 nan 8.270 nan 0.000 0.667 5327 T N -1.075 113.585 114.554 0.176 0.000 2.860 5327 T HA 0.526 4.872 4.350 -0.005 0.000 0.299 5327 T C 0.919 175.676 174.700 0.095 0.000 1.045 5327 T CA 0.009 62.181 62.100 0.120 0.000 1.071 5327 T CB 1.546 70.451 68.868 0.061 0.000 0.985 5327 T HN 0.675 nan 8.240 nan 0.000 0.537 5328 G N 1.539 110.369 108.800 0.049 0.000 2.631 5328 G HA2 0.103 4.060 3.960 -0.005 0.000 0.504 5328 G HA3 0.103 4.060 3.960 -0.005 0.000 0.504 5328 G C -3.019 171.942 174.900 0.103 0.000 1.306 5328 G CA -0.583 44.551 45.100 0.056 0.000 0.897 5328 G HN 0.870 nan 8.290 nan 0.000 0.520 5329 P HA 0.348 nan 4.420 nan 0.000 0.276 5329 P C 1.247 178.611 177.300 0.108 0.000 1.252 5329 P CA -0.513 62.654 63.100 0.112 0.000 0.802 5329 P CB 0.603 32.344 31.700 0.069 0.000 1.035 5330 M N 0.470 120.145 119.600 0.125 0.000 2.346 5330 M HA -0.150 4.327 4.480 -0.005 0.000 0.263 5330 M C 1.206 177.528 176.300 0.038 0.000 1.064 5330 M CA 1.500 56.860 55.300 0.100 0.000 1.083 5330 M CB -0.760 31.915 32.600 0.125 0.000 1.399 5330 M HN 0.324 nan 8.290 nan 0.000 0.435 5331 N N 0.477 119.191 118.700 0.024 0.000 2.512 5331 N HA -0.098 4.639 4.740 -0.005 0.000 0.183 5331 N C 1.497 176.991 175.510 -0.026 0.000 1.073 5331 N CA 0.901 53.946 53.050 -0.007 0.000 0.911 5331 N CB -0.142 38.341 38.487 -0.007 0.000 0.964 5331 N HN 0.279 nan 8.380 nan 0.000 0.447 5332 K N 0.863 121.257 120.400 -0.010 0.000 2.365 5332 K HA 0.093 4.409 4.320 -0.005 0.000 0.197 5332 K C 1.529 178.099 176.600 -0.051 0.000 1.042 5332 K CA 0.403 56.679 56.287 -0.019 0.000 0.987 5332 K CB -0.234 32.270 32.500 0.006 0.000 0.779 5332 K HN 0.091 nan 8.250 nan 0.000 0.484 5333 G N 0.892 109.653 108.800 -0.066 0.000 2.561 5333 G HA2 -0.174 3.783 3.960 -0.005 0.000 0.208 5333 G HA3 -0.174 3.783 3.960 -0.005 0.000 0.208 5333 G C 0.729 175.485 174.900 -0.241 0.000 1.510 5333 G CA 0.623 45.642 45.100 -0.135 0.000 0.941 5333 G HN 0.495 nan 8.290 nan 0.000 0.478 5334 D N -0.098 120.094 120.400 -0.346 0.000 2.363 5334 D HA 0.339 4.976 4.640 -0.005 0.000 0.220 5334 D C 1.220 177.181 176.300 -0.565 0.000 0.994 5334 D CA 0.914 54.584 54.000 -0.549 0.000 0.890 5334 D CB -0.113 40.232 40.800 -0.759 0.000 0.906 5334 D HN 0.942 nan 8.370 nan 0.000 0.530 5335 G N -0.358 108.260 108.800 -0.303 0.000 2.525 5335 G HA2 -0.098 3.859 3.960 -0.005 0.000 0.685 5335 G HA3 -0.098 3.859 3.960 -0.005 0.000 0.685 5335 G C -0.976 173.952 174.900 0.047 0.000 1.290 5335 G CA -0.551 44.491 45.100 -0.095 0.000 0.915 5335 G HN 0.221 nan 8.290 nan 0.000 0.548 5336 I N 1.761 122.415 120.570 0.140 0.000 2.322 5336 I HA 0.475 4.642 4.170 -0.005 0.000 0.292 5336 I C 1.308 177.584 176.117 0.265 0.000 1.060 5336 I CA -0.109 61.279 61.300 0.146 0.000 1.309 5336 I CB 1.096 39.117 38.000 0.036 0.000 1.415 5336 I HN 0.948 nan 8.210 nan 0.000 0.492 5337 A N 6.934 129.953 122.820 0.332 0.000 2.566 5337 A HA 0.030 4.347 4.320 -0.005 0.000 0.245 5337 A C 0.971 178.502 177.584 -0.088 0.000 1.056 5337 A CA 0.233 52.336 52.037 0.111 0.000 0.757 5337 A CB 0.260 19.162 19.000 -0.164 0.000 0.979 5337 A HN 0.799 nan 8.150 nan 0.000 0.508 5338 Q N 0.711 120.439 119.800 -0.119 0.000 2.462 5338 Q HA 0.421 4.758 4.340 -0.005 0.000 0.224 5338 Q C 0.414 176.345 176.000 -0.115 0.000 0.911 5338 Q CA 1.349 57.088 55.803 -0.106 0.000 0.925 5338 Q CB 0.596 29.286 28.738 -0.079 0.000 1.063 5338 Q HN 1.165 nan 8.270 nan 0.000 0.572 5339 A N -0.271 122.479 122.820 -0.117 0.000 2.583 5339 A HA 0.357 4.674 4.320 -0.005 0.000 0.292 5339 A C -2.271 175.218 177.584 -0.158 0.000 1.045 5339 A CA -0.748 51.230 52.037 -0.097 0.000 0.672 5339 A CB 0.095 19.029 19.000 -0.109 0.000 1.283 5339 A HN 0.182 nan 8.150 nan 0.000 0.419 5340 W N 2.622 123.647 121.300 -0.458 0.000 2.388 5340 W HA 0.520 5.177 4.660 -0.006 0.000 0.308 5340 W C 0.451 176.676 176.519 -0.490 0.000 1.263 5340 W CA -0.559 56.295 57.345 -0.819 0.000 1.286 5340 W CB 0.991 30.041 29.460 -0.682 0.000 1.294 5340 W HN 0.731 nan 8.180 nan 0.000 0.493 5341 K N 4.684 124.728 120.400 -0.593 0.000 2.555 5341 K HA 0.248 4.565 4.320 -0.005 0.000 0.193 5341 K C 0.905 176.946 176.600 -0.931 0.000 1.032 5341 K CA 0.840 56.739 56.287 -0.647 0.000 1.004 5341 K CB -0.323 31.881 32.500 -0.493 0.000 0.804 5341 K HN 0.740 nan 8.250 nan 0.000 0.496 5342 G N 0.664 108.535 108.800 -1.550 0.000 2.619 5342 G HA2 -0.229 3.728 3.960 -0.005 0.000 0.686 5342 G HA3 -0.229 3.728 3.960 -0.005 0.000 0.686 5342 G C -1.389 173.239 174.900 -0.454 0.000 1.256 5342 G CA -0.888 43.343 45.100 -1.448 0.000 0.826 5342 G HN 0.356 nan 8.290 nan 0.000 0.619 5343 H N 0.530 119.379 119.070 -0.368 0.000 2.683 5343 H HA 0.578 5.131 4.556 -0.005 0.000 0.339 5343 H C 0.398 175.548 175.328 -0.297 0.000 1.081 5343 H CA 0.405 56.298 56.048 -0.259 0.000 1.432 5343 H CB 1.185 30.272 29.762 -1.125 0.000 1.462 5343 H HN 1.129 nan 8.280 nan 0.000 0.557 5344 A N 6.046 128.295 122.820 -0.951 0.000 2.258 5344 A HA 0.397 4.714 4.320 -0.005 0.000 0.316 5344 A C -0.319 176.639 177.584 -1.044 0.000 1.279 5344 A CA -0.658 50.645 52.037 -1.224 0.000 0.876 5344 A CB 0.312 18.596 19.000 -1.193 0.000 1.170 5344 A HN 0.557 nan 8.150 nan 0.000 0.520 5345 V N 0.302 119.735 119.914 -0.801 0.000 2.427 5345 V HA 0.819 4.936 4.120 -0.005 0.000 0.286 5345 V C -0.925 174.838 176.094 -0.553 0.000 1.034 5345 V CA -0.716 61.334 62.300 -0.417 0.000 0.893 5345 V CB 0.672 32.427 31.823 -0.114 0.000 0.982 5345 V HN 0.554 nan 8.190 nan 0.000 0.452 5346 F N 4.066 123.858 119.950 -0.264 0.000 2.375 5346 F HA 0.703 5.227 4.527 -0.005 0.000 0.361 5346 F C 0.695 176.349 175.800 -0.245 0.000 1.117 5346 F CA -0.508 57.349 58.000 -0.239 0.000 1.037 5346 F CB 1.632 40.508 39.000 -0.207 0.000 1.192 5346 F HN 0.462 nan 8.300 nan 0.000 0.452 5347 R N 2.220 122.679 120.500 -0.068 0.000 2.668 5347 R HA 0.424 4.761 4.340 -0.005 0.000 0.279 5347 R C -0.166 176.079 176.300 -0.090 0.000 0.976 5347 R CA -1.093 54.953 56.100 -0.089 0.000 0.978 5347 R CB 1.421 31.672 30.300 -0.082 0.000 1.133 5347 R HN 0.640 nan 8.270 nan 0.000 0.484 5348 N N 0.847 119.491 118.700 -0.093 0.000 2.593 5348 N HA 0.058 4.795 4.740 -0.005 0.000 0.304 5348 N C 0.493 175.963 175.510 -0.066 0.000 1.296 5348 N CA -0.569 52.423 53.050 -0.096 0.000 0.950 5348 N CB 0.406 38.839 38.487 -0.090 0.000 1.127 5348 N HN 0.428 nan 8.380 nan 0.000 0.587 5349 K N -0.580 119.787 120.400 -0.056 0.000 2.103 5349 K HA -0.110 4.207 4.320 -0.005 0.000 0.207 5349 K C 0.771 177.351 176.600 -0.034 0.000 1.048 5349 K CA 1.398 57.661 56.287 -0.040 0.000 0.930 5349 K CB 0.021 32.501 32.500 -0.033 0.000 0.716 5349 K HN 0.405 nan 8.250 nan 0.000 0.444 5350 E N -0.923 119.257 120.200 -0.034 0.000 2.478 5350 E HA 0.027 4.374 4.350 -0.005 0.000 0.198 5350 E C 1.098 177.683 176.600 -0.026 0.000 1.046 5350 E CA 0.828 57.212 56.400 -0.026 0.000 0.870 5350 E CB 0.190 29.876 29.700 -0.023 0.000 0.818 5350 E HN 0.553 nan 8.360 nan 0.000 0.527 5351 G N 0.502 109.282 108.800 -0.034 0.000 2.241 5351 G HA2 -0.332 3.625 3.960 -0.005 0.000 0.244 5351 G HA3 -0.332 3.625 3.960 -0.005 0.000 0.244 5351 G C 0.042 174.919 174.900 -0.038 0.000 0.998 5351 G CA 0.145 45.225 45.100 -0.033 0.000 0.621 5351 G HN 0.377 nan 8.290 nan 0.000 0.519 5352 E N 1.138 121.315 120.200 -0.037 0.000 2.481 5352 E HA 0.261 4.608 4.350 -0.005 0.000 0.263 5352 E C 0.298 176.849 176.600 -0.082 0.000 0.992 5352 E CA 0.321 56.697 56.400 -0.040 0.000 0.938 5352 E CB 0.632 30.315 29.700 -0.027 0.000 0.933 5352 E HN 0.498 nan 8.360 nan 0.000 0.453 5353 E N 3.086 123.218 120.200 -0.113 0.000 2.167 5353 E HA 0.141 4.488 4.350 -0.005 0.000 0.284 5353 E C -0.992 175.339 176.600 -0.448 0.000 1.016 5353 E CA -0.703 55.548 56.400 -0.248 0.000 0.817 5353 E CB 0.532 30.084 29.700 -0.246 0.000 1.080 5353 E HN 0.177 nan 8.360 nan 0.000 0.397 5354 L N 4.030 124.997 121.223 -0.428 0.000 2.400 5354 L HA 0.513 4.850 4.340 -0.005 0.000 0.264 5354 L C -0.607 175.863 176.870 -0.667 0.000 1.061 5354 L CA -0.219 54.385 54.840 -0.393 0.000 0.799 5354 L CB 0.515 42.473 42.059 -0.168 0.000 1.240 5354 L HN 0.508 nan 8.230 nan 0.000 0.461 5355 F N -0.592 119.397 119.950 0.065 0.000 2.561 5355 F HA 0.491 5.015 4.527 -0.006 0.000 0.313 5355 F C -0.259 175.556 175.800 0.026 0.000 1.126 5355 F CA -1.035 57.015 58.000 0.083 0.000 0.918 5355 F CB 1.575 40.631 39.000 0.093 0.000 1.199 5355 F HN -0.055 nan 8.300 nan 0.000 0.444 5356 V N 2.838 122.861 119.914 0.180 0.000 2.530 5356 V HA 0.317 4.434 4.120 -0.005 0.000 0.282 5356 V C 0.290 176.477 176.094 0.156 0.000 1.048 5356 V CA -0.617 61.727 62.300 0.074 0.000 0.997 5356 V CB 0.868 32.686 31.823 -0.008 0.000 0.987 5356 V HN 0.586 nan 8.190 nan 0.000 0.477 5357 R N 5.135 125.725 120.500 0.150 0.000 2.370 5357 R HA 0.198 4.535 4.340 -0.005 0.000 0.309 5357 R C 0.273 176.707 176.300 0.223 0.000 1.059 5357 R CA 0.258 56.468 56.100 0.184 0.000 0.981 5357 R CB -0.068 30.365 30.300 0.222 0.000 0.972 5357 R HN 0.681 nan 8.270 nan 0.000 0.437 5358 R N 3.404 123.978 120.500 0.123 0.000 2.774 5358 R HA 0.117 4.454 4.340 -0.005 0.000 0.269 5358 R C 0.278 176.504 176.300 -0.123 0.000 1.068 5358 R CA -0.303 55.866 56.100 0.115 0.000 1.180 5358 R CB 0.487 30.841 30.300 0.089 0.000 1.077 5358 R HN 0.580 nan 8.270 nan 0.000 0.513 5359 M N 3.069 122.676 119.600 0.012 0.000 2.105 5359 M HA 0.241 4.717 4.480 -0.005 0.000 0.350 5359 M C -2.243 174.056 176.300 -0.002 0.000 1.308 5359 M CA -1.754 53.370 55.300 -0.293 0.000 1.108 5359 M CB 1.191 33.858 32.600 0.112 0.000 1.622 5359 M HN 0.138 nan 8.290 nan 0.000 0.468 5360 P HA 0.145 nan 4.420 nan 0.000 0.276 5360 P C -1.053 176.440 177.300 0.321 0.000 1.264 5360 P CA -0.153 63.034 63.100 0.145 0.000 0.769 5360 P CB 0.686 32.469 31.700 0.139 0.000 0.840 5361 A N 4.027 127.025 122.820 0.298 0.000 2.512 5361 A HA 0.149 4.466 4.320 -0.005 0.000 0.278 5361 A C 0.309 178.102 177.584 0.348 0.000 1.128 5361 A CA 0.871 52.996 52.037 0.147 0.000 0.818 5361 A CB -1.638 17.368 19.000 0.011 0.000 1.044 5361 A HN 0.775 nan 8.150 nan 0.000 0.526 5362 F N 0.249 120.252 119.950 0.087 0.000 1.791 5362 F HA 0.049 4.573 4.527 -0.004 0.000 0.438 5362 F C -0.347 175.407 175.800 -0.076 0.000 0.952 5362 F CA -0.694 57.299 58.000 -0.011 0.000 0.909 5362 F CB 0.064 39.044 39.000 -0.033 0.000 1.428 5362 F HN 0.443 nan 8.300 nan 0.000 0.386 5363 F N 3.155 123.239 119.950 0.223 0.000 2.424 5363 F HA 0.230 4.754 4.527 -0.005 0.000 0.356 5363 F C 1.388 177.287 175.800 0.165 0.000 1.110 5363 F CA -0.207 57.907 58.000 0.189 0.000 1.161 5363 F CB 0.808 39.972 39.000 0.274 0.000 1.115 5363 F HN -0.073 nan 8.300 nan 0.000 0.507 5364 E N 1.203 121.555 120.200 0.253 0.000 2.072 5364 E HA -0.103 4.244 4.350 -0.005 0.000 0.191 5364 E C 0.619 177.401 176.600 0.303 0.000 0.985 5364 E CA 0.923 57.454 56.400 0.219 0.000 0.801 5364 E CB 0.017 29.795 29.700 0.131 0.000 0.750 5364 E HN 0.527 nan 8.360 nan 0.000 0.452 5365 S N -0.711 115.192 115.700 0.339 0.000 2.542 5365 S HA 0.621 5.088 4.470 -0.005 0.000 0.293 5365 S C -0.863 174.003 174.600 0.442 0.000 1.089 5365 S CA -0.919 57.486 58.200 0.342 0.000 0.961 5365 S CB 1.981 65.322 63.200 0.235 0.000 1.062 5365 S HN 0.055 nan 8.310 nan 0.000 0.483 5366 F N 2.446 122.492 119.950 0.160 0.000 2.601 5366 F HA 0.720 5.243 4.527 -0.006 0.000 0.309 5366 F C -2.511 173.296 175.800 0.011 0.000 1.089 5366 F CA -1.615 56.413 58.000 0.046 0.000 0.940 5366 F CB 1.877 40.875 39.000 -0.003 0.000 1.273 5366 F HN 0.625 nan 8.300 nan 0.000 0.450 5367 P HA 0.259 nan 4.420 nan 0.000 0.276 5367 P C -1.252 175.836 177.300 -0.353 0.000 1.244 5367 P CA -0.335 62.512 63.100 -0.422 0.000 0.801 5367 P CB 1.979 33.401 31.700 -0.465 0.000 1.006 5368 V N 3.681 123.491 119.914 -0.173 0.000 2.288 5368 V HA 0.278 4.394 4.120 -0.005 0.000 0.266 5368 V C -0.314 175.741 176.094 -0.066 0.000 1.048 5368 V CA -0.711 61.536 62.300 -0.089 0.000 0.842 5368 V CB -0.587 31.183 31.823 -0.089 0.000 1.064 5368 V HN 0.277 nan 8.190 nan 0.000 0.472 5369 I N 7.052 127.589 120.570 -0.055 0.000 2.460 5369 I HA 0.462 4.629 4.170 -0.005 0.000 0.298 5369 I C -0.261 175.867 176.117 0.018 0.000 0.989 5369 I CA -0.584 60.696 61.300 -0.033 0.000 1.173 5369 I CB 1.818 39.778 38.000 -0.067 0.000 1.338 5369 I HN 0.406 nan 8.210 nan 0.000 0.456 5370 L N 5.409 126.649 121.223 0.028 0.000 2.349 5370 L HA 0.504 4.841 4.340 -0.005 0.000 0.278 5370 L C 0.020 176.916 176.870 0.043 0.000 0.996 5370 L CA -0.378 54.472 54.840 0.018 0.000 0.825 5370 L CB 2.098 44.129 42.059 -0.046 0.000 1.243 5370 L HN 0.702 nan 8.230 nan 0.000 0.412 5371 T N -2.511 112.099 114.554 0.092 0.000 2.916 5371 T HA 0.466 4.813 4.350 -0.005 0.000 0.292 5371 T C -0.392 174.418 174.700 0.183 0.000 1.055 5371 T CA -0.957 61.213 62.100 0.117 0.000 1.009 5371 T CB 2.415 71.353 68.868 0.117 0.000 1.118 5371 T HN 0.546 nan 8.240 nan 0.000 0.497 5372 D N 0.999 121.496 120.400 0.161 0.000 2.315 5372 D HA 0.180 4.817 4.640 -0.005 0.000 0.275 5372 D C 1.288 177.796 176.300 0.347 0.000 1.218 5372 D CA -0.439 53.677 54.000 0.194 0.000 1.040 5372 D CB 0.357 41.228 40.800 0.119 0.000 1.123 5372 D HN 0.396 nan 8.370 nan 0.000 0.541 5373 K N -0.176 120.407 120.400 0.306 0.000 2.020 5373 K HA -0.106 4.211 4.320 -0.005 0.000 0.212 5373 K C 1.208 177.882 176.600 0.123 0.000 1.050 5373 K CA 1.212 57.658 56.287 0.265 0.000 0.929 5373 K CB -0.895 31.717 32.500 0.186 0.000 0.714 5373 K HN 0.500 nan 8.250 nan 0.000 0.443 5374 N N 0.593 119.353 118.700 0.100 0.000 2.346 5374 N HA 0.081 4.818 4.740 -0.005 0.000 0.225 5374 N C 0.450 175.996 175.510 0.061 0.000 1.144 5374 N CA 0.678 53.764 53.050 0.060 0.000 0.837 5374 N CB 0.526 39.043 38.487 0.050 0.000 1.069 5374 N HN 0.388 nan 8.380 nan 0.000 0.487 5375 G N 0.388 109.238 108.800 0.084 0.000 2.249 5375 G HA2 -0.275 3.682 3.960 -0.005 0.000 0.273 5375 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.273 5375 G C -0.031 174.911 174.900 0.070 0.000 1.036 5375 G CA 0.080 45.226 45.100 0.076 0.000 0.824 5375 G HN 0.237 nan 8.290 nan 0.000 0.504 5376 V N 0.508 120.473 119.914 0.084 0.000 2.498 5376 V HA 0.371 4.488 4.120 -0.005 0.000 0.279 5376 V C 1.237 177.385 176.094 0.089 0.000 1.048 5376 V CA -0.725 61.624 62.300 0.081 0.000 0.967 5376 V CB 1.710 33.585 31.823 0.087 0.000 0.988 5376 V HN 0.331 nan 8.190 nan 0.000 0.473 5377 V N 6.427 126.381 119.914 0.068 0.000 2.450 5377 V HA 0.117 4.233 4.120 -0.005 0.000 0.281 5377 V C 1.100 177.319 176.094 0.208 0.000 1.019 5377 V CA 0.134 62.449 62.300 0.026 0.000 1.062 5377 V CB 0.138 31.851 31.823 -0.184 0.000 0.979 5377 V HN 0.874 nan 8.190 nan 0.000 0.477 5378 K N 3.019 123.535 120.400 0.193 0.000 2.387 5378 K HA 0.533 4.849 4.320 -0.005 0.000 0.197 5378 K C 0.429 177.208 176.600 0.299 0.000 1.127 5378 K CA 0.892 57.324 56.287 0.243 0.000 0.950 5378 K CB 1.226 33.782 32.500 0.092 0.000 1.017 5378 K HN 0.744 nan 8.250 nan 0.000 0.519 5379 A N 1.714 124.655 122.820 0.201 0.000 2.602 5379 A HA 0.628 4.944 4.320 -0.005 0.000 0.290 5379 A C -1.762 175.948 177.584 0.211 0.000 1.114 5379 A CA -0.368 51.783 52.037 0.190 0.000 0.683 5379 A CB 1.586 20.540 19.000 -0.078 0.000 1.281 5379 A HN 0.216 nan 8.150 nan 0.000 0.416 5380 D N -1.379 119.243 120.400 0.371 0.000 2.804 5380 D HA 0.326 4.963 4.640 -0.005 0.000 0.309 5380 D C -1.489 174.929 176.300 0.197 0.000 1.311 5380 D CA -0.398 53.764 54.000 0.270 0.000 0.765 5380 D CB 0.012 40.840 40.800 0.047 0.000 1.293 5380 D HN 0.531 nan 8.370 nan 0.000 0.434 5381 I N 1.016 121.568 120.570 -0.031 0.000 2.355 5381 I HA 0.390 4.557 4.170 -0.005 0.000 0.288 5381 I C -1.946 174.149 176.117 -0.036 0.000 0.999 5381 I CA -1.758 59.457 61.300 -0.142 0.000 1.163 5381 I CB 1.654 39.493 38.000 -0.268 0.000 1.316 5381 I HN 0.278 nan 8.210 nan 0.000 0.454 5382 P HA 0.117 nan 4.420 nan 0.000 0.275 5382 P C -0.145 177.204 177.300 0.080 0.000 1.266 5382 P CA -0.004 63.129 63.100 0.055 0.000 0.793 5382 P CB 1.504 33.240 31.700 0.060 0.000 1.074 5383 F N -0.405 119.529 119.950 -0.028 0.000 2.549 5383 F HA 0.301 4.825 4.527 -0.006 0.000 0.275 5383 F C 1.225 177.017 175.800 -0.013 0.000 0.990 5383 F CA 0.112 58.096 58.000 -0.026 0.000 1.274 5383 F CB 0.669 39.652 39.000 -0.027 0.000 1.064 5383 F HN 0.055 nan 8.300 nan 0.000 0.715 5384 R N 1.187 121.813 120.500 0.210 0.000 2.287 5384 R HA 0.225 4.562 4.340 -0.005 0.000 0.316 5384 R C 0.647 176.985 176.300 0.064 0.000 1.050 5384 R CA -0.472 55.699 56.100 0.119 0.000 0.983 5384 R CB 0.977 31.367 30.300 0.149 0.000 1.140 5384 R HN 0.022 nan 8.270 nan 0.000 0.528 5385 R N 1.505 122.017 120.500 0.021 0.000 2.200 5385 R HA -0.118 4.219 4.340 -0.005 0.000 0.234 5385 R C 1.968 178.286 176.300 0.031 0.000 1.127 5385 R CA 1.418 57.531 56.100 0.022 0.000 0.989 5385 R CB -0.431 29.868 30.300 -0.001 0.000 0.869 5385 R HN 0.662 nan 8.270 nan 0.000 0.459 5386 A N 0.596 123.434 122.820 0.030 0.000 2.023 5386 A HA -0.241 4.075 4.320 -0.005 0.000 0.223 5386 A C 0.945 178.551 177.584 0.036 0.000 1.180 5386 A CA 2.033 54.089 52.037 0.030 0.000 0.659 5386 A CB -0.173 18.846 19.000 0.032 0.000 0.817 5386 A HN 0.437 nan 8.150 nan 0.000 0.466 5387 E N -0.644 119.585 120.200 0.048 0.000 3.586 5387 E HA 0.178 4.525 4.350 -0.005 0.000 0.175 5387 E C -0.846 175.798 176.600 0.072 0.000 0.980 5387 E CA -0.239 56.192 56.400 0.053 0.000 1.391 5387 E CB 0.980 30.711 29.700 0.052 0.000 1.101 5387 E HN 0.351 nan 8.360 nan 0.000 0.440 5388 S N 0.946 116.692 115.700 0.076 0.000 2.549 5388 S HA 0.085 4.552 4.470 -0.005 0.000 0.286 5388 S C 0.956 175.622 174.600 0.109 0.000 1.314 5388 S CA 0.202 58.467 58.200 0.107 0.000 1.062 5388 S CB 1.164 64.421 63.200 0.095 0.000 0.865 5388 S HN 0.270 nan 8.310 nan 0.000 0.498 5389 K N 0.990 121.498 120.400 0.180 0.000 2.436 5389 K HA 0.136 4.453 4.320 -0.005 0.000 0.198 5389 K C 0.067 176.652 176.600 -0.024 0.000 1.174 5389 K CA 0.410 56.730 56.287 0.055 0.000 0.951 5389 K CB 0.257 32.773 32.500 0.027 0.000 1.040 5389 K HN 0.591 nan 8.250 nan 0.000 0.536 5390 Y N 1.548 121.878 120.300 0.050 0.000 2.531 5390 Y HA 0.169 4.716 4.550 -0.005 0.000 0.249 5390 Y C 0.591 176.558 175.900 0.112 0.000 1.168 5390 Y CA -1.065 57.072 58.100 0.062 0.000 1.226 5390 Y CB -0.078 38.416 38.460 0.057 0.000 1.177 5390 Y HN -0.113 nan 8.280 nan 0.000 0.527 5391 S N 0.324 116.178 115.700 0.256 0.000 2.554 5391 S HA -0.066 4.401 4.470 -0.005 0.000 0.290 5391 S C 0.102 174.897 174.600 0.325 0.000 1.309 5391 S CA -0.550 57.798 58.200 0.247 0.000 1.047 5391 S CB 0.218 63.507 63.200 0.147 0.000 0.828 5391 S HN 0.105 nan 8.310 nan 0.000 0.509 5392 F N 2.249 122.229 119.950 0.050 0.000 2.527 5392 F HA 0.259 4.783 4.527 -0.005 0.000 0.316 5392 F C 1.877 177.700 175.800 0.039 0.000 1.258 5392 F CA 0.046 58.075 58.000 0.047 0.000 1.314 5392 F CB -0.683 38.346 39.000 0.048 0.000 1.200 5392 F HN 1.001 nan 8.300 nan 0.000 0.577 5393 E N -1.555 118.766 120.200 0.202 0.000 4.308 5393 E HA -0.394 3.953 4.350 -0.005 0.000 0.178 5393 E C 1.588 178.232 176.600 0.073 0.000 1.202 5393 E CA 1.522 57.993 56.400 0.119 0.000 2.440 5393 E CB -1.103 28.667 29.700 0.116 0.000 1.767 5393 E HN 0.695 nan 8.360 nan 0.000 0.455 5394 Q N -0.195 119.654 119.800 0.081 0.000 2.170 5394 Q HA -0.150 4.187 4.340 -0.005 0.000 0.203 5394 Q C 1.502 177.511 176.000 0.014 0.000 0.976 5394 Q CA 1.478 57.306 55.803 0.042 0.000 0.858 5394 Q CB 0.184 28.952 28.738 0.050 0.000 0.907 5394 Q HN 0.288 nan 8.270 nan 0.000 0.433 5395 Q N -1.646 118.166 119.800 0.020 0.000 2.281 5395 Q HA 0.146 4.482 4.340 -0.005 0.000 0.215 5395 Q C 0.474 176.449 176.000 -0.041 0.000 0.867 5395 Q CA 0.710 56.497 55.803 -0.025 0.000 0.940 5395 Q CB 1.324 30.039 28.738 -0.038 0.000 1.111 5395 Q HN 0.450 nan 8.270 nan 0.000 0.513 5396 G N 1.786 110.577 108.800 -0.015 0.000 2.333 5396 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.296 5396 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.296 5396 G C 0.207 175.071 174.900 -0.059 0.000 1.059 5396 G CA 0.332 45.422 45.100 -0.017 0.000 1.050 5396 G HN 0.156 nan 8.290 nan 0.000 0.508 5397 V N 0.273 120.111 119.914 -0.127 0.000 2.924 5397 V HA 0.777 4.894 4.120 -0.005 0.000 0.305 5397 V C 1.054 177.111 176.094 -0.062 0.000 1.073 5397 V CA 0.570 62.740 62.300 -0.218 0.000 1.098 5397 V CB 1.338 32.741 31.823 -0.700 0.000 1.000 5397 V HN 1.228 nan 8.190 nan 0.000 0.484 5398 T N 0.162 114.693 114.554 -0.037 0.000 2.787 5398 T HA 0.731 5.078 4.350 -0.005 0.000 0.297 5398 T C -1.063 173.599 174.700 -0.064 0.000 1.221 5398 T CA -0.636 61.462 62.100 -0.003 0.000 1.006 5398 T CB 1.812 70.655 68.868 -0.042 0.000 1.328 5398 T HN 0.980 nan 8.240 nan 0.000 0.509 5399 V N 0.437 120.255 119.914 -0.159 0.000 2.808 5399 V HA 0.794 4.910 4.120 -0.005 0.000 0.308 5399 V C -1.285 174.528 176.094 -0.469 0.000 1.099 5399 V CA -0.260 61.727 62.300 -0.523 0.000 0.920 5399 V CB 2.059 33.408 31.823 -0.790 0.000 1.014 5399 V HN 1.273 nan 8.190 nan 0.000 0.425 5400 S N 5.377 120.707 115.700 -0.617 0.000 2.600 5400 S HA 0.858 5.324 4.470 -0.005 0.000 0.300 5400 S C -1.242 172.887 174.600 -0.785 0.000 1.087 5400 S CA -0.363 57.525 58.200 -0.520 0.000 0.965 5400 S CB 1.782 64.771 63.200 -0.352 0.000 1.089 5400 S HN 0.631 nan 8.310 nan 0.000 0.496 5401 F N 0.932 120.501 119.950 -0.635 0.000 2.561 5401 F HA 0.639 5.163 4.527 -0.006 0.000 0.321 5401 F C -0.931 174.346 175.800 -0.871 0.000 1.065 5401 F CA -0.618 57.014 58.000 -0.614 0.000 0.934 5401 F CB 1.430 40.144 39.000 -0.478 0.000 1.215 5401 F HN 0.482 nan 8.300 nan 0.000 0.471 5402 Y N 0.495 120.707 120.300 -0.147 0.000 2.457 5402 Y HA 0.584 5.131 4.550 -0.005 0.000 0.343 5402 Y C 0.526 176.331 175.900 -0.158 0.000 0.994 5402 Y CA -0.929 57.107 58.100 -0.106 0.000 1.031 5402 Y CB 1.811 40.237 38.460 -0.057 0.000 1.246 5402 Y HN 0.906 nan 8.280 nan 0.000 0.449 5403 G N 1.115 109.944 108.800 0.048 0.000 2.749 5403 G HA2 0.280 4.237 3.960 -0.005 0.000 0.242 5403 G HA3 0.280 4.237 3.960 -0.005 0.000 0.242 5403 G C 0.308 174.922 174.900 -0.476 0.000 1.364 5403 G CA 0.037 45.094 45.100 -0.073 0.000 0.888 5403 G HN 1.913 nan 8.290 nan 0.000 0.566 5404 G N -1.304 107.119 108.800 -0.628 0.000 2.749 5404 G HA2 0.157 4.114 3.960 -0.005 0.000 0.242 5404 G HA3 0.157 4.114 3.960 -0.005 0.000 0.242 5404 G C 0.808 175.445 174.900 -0.437 0.000 1.364 5404 G CA 1.182 45.820 45.100 -0.770 0.000 0.888 5404 G HN 2.377 nan 8.290 nan 0.000 0.566 5405 E N -0.876 119.074 120.200 -0.416 0.000 2.478 5405 E HA 0.230 4.576 4.350 -0.005 0.000 0.194 5405 E C 2.017 178.429 176.600 -0.314 0.000 1.045 5405 E CA 0.445 56.670 56.400 -0.292 0.000 0.868 5405 E CB 0.002 29.567 29.700 -0.225 0.000 0.885 5405 E HN 0.469 nan 8.360 nan 0.000 0.505 5406 L N 1.371 122.324 121.223 -0.451 0.000 2.628 5406 L HA 0.171 4.508 4.340 -0.005 0.000 0.229 5406 L C 0.530 177.214 176.870 -0.310 0.000 1.137 5406 L CA -0.574 54.001 54.840 -0.440 0.000 0.909 5406 L CB -0.308 41.213 42.059 -0.897 0.000 1.137 5406 L HN 0.123 nan 8.230 nan 0.000 0.470 5407 N N 1.015 119.542 118.700 -0.288 0.000 2.292 5407 N HA 0.022 4.759 4.740 -0.005 0.000 0.258 5407 N C 1.256 176.642 175.510 -0.207 0.000 1.261 5407 N CA 1.590 54.505 53.050 -0.226 0.000 0.845 5407 N CB 0.574 38.960 38.487 -0.168 0.000 1.064 5407 N HN 0.325 nan 8.380 nan 0.000 0.471 5408 G N 1.774 110.412 108.800 -0.270 0.000 2.268 5408 G HA2 -0.290 3.667 3.960 -0.005 0.000 0.240 5408 G HA3 -0.290 3.667 3.960 -0.005 0.000 0.240 5408 G C -0.058 174.685 174.900 -0.260 0.000 1.010 5408 G CA 0.397 45.351 45.100 -0.245 0.000 0.618 5408 G HN 0.689 nan 8.290 nan 0.000 0.516 5409 Q N 0.610 120.258 119.800 -0.252 0.000 2.312 5409 Q HA 0.631 4.968 4.340 -0.005 0.000 0.236 5409 Q C -0.299 175.479 176.000 -0.371 0.000 0.965 5409 Q CA 0.399 56.010 55.803 -0.320 0.000 0.894 5409 Q CB 1.225 29.776 28.738 -0.312 0.000 1.225 5409 Q HN 0.256 nan 8.270 nan 0.000 0.478 5410 T N 0.960 115.181 114.554 -0.554 0.000 2.903 5410 T HA 0.636 4.983 4.350 -0.005 0.000 0.299 5410 T C -1.315 172.957 174.700 -0.715 0.000 1.093 5410 T CA -0.581 61.249 62.100 -0.449 0.000 1.002 5410 T CB 0.682 69.380 68.868 -0.284 0.000 1.127 5410 T HN 0.304 nan 8.240 nan 0.000 0.488 5411 F N 1.219 121.111 119.950 -0.097 0.000 2.539 5411 F HA 0.425 4.949 4.527 -0.005 0.000 0.318 5411 F C 1.280 177.074 175.800 -0.011 0.000 1.135 5411 F CA -0.892 57.095 58.000 -0.021 0.000 0.915 5411 F CB 2.197 41.220 39.000 0.038 0.000 1.176 5411 F HN 0.694 nan 8.300 nan 0.000 0.440 5412 T N -3.066 111.569 114.554 0.135 0.000 3.044 5412 T HA 0.085 4.432 4.350 -0.005 0.000 0.260 5412 T C -0.017 174.758 174.700 0.125 0.000 1.019 5412 T CA -0.213 61.943 62.100 0.093 0.000 0.921 5412 T CB -0.248 68.639 68.868 0.032 0.000 1.053 5412 T HN 0.397 nan 8.240 nan 0.000 0.533 5413 D N 2.981 123.484 120.400 0.171 0.000 2.344 5413 D HA 0.267 4.904 4.640 -0.005 0.000 0.253 5413 D C -1.386 175.018 176.300 0.175 0.000 1.255 5413 D CA -2.135 51.958 54.000 0.156 0.000 0.894 5413 D CB 1.273 42.172 40.800 0.165 0.000 1.067 5413 D HN -0.026 nan 8.370 nan 0.000 0.492 5414 P HA -0.245 nan 4.420 nan 0.000 0.218 5414 P C -1.519 175.875 177.300 0.157 0.000 1.132 5414 P CA 2.104 65.314 63.100 0.183 0.000 0.968 5414 P CB -0.739 31.041 31.700 0.133 0.000 0.783 5415 P HA -0.178 nan 4.420 nan 0.000 0.214 5415 P C 1.586 178.929 177.300 0.070 0.000 1.169 5415 P CA 2.272 65.403 63.100 0.052 0.000 0.908 5415 P CB -0.834 30.886 31.700 0.033 0.000 0.791 5416 T N -0.828 113.789 114.554 0.105 0.000 2.759 5416 T HA -0.116 4.231 4.350 -0.005 0.000 0.269 5416 T C 1.763 176.621 174.700 0.263 0.000 1.042 5416 T CA 1.381 63.550 62.100 0.115 0.000 1.140 5416 T CB -1.024 67.931 68.868 0.144 0.000 0.864 5416 T HN -0.104 nan 8.240 nan 0.000 0.455 5417 V N 1.219 121.324 119.914 0.318 0.000 2.307 5417 V HA -0.165 3.952 4.120 -0.005 0.000 0.245 5417 V C 2.443 178.833 176.094 0.493 0.000 1.045 5417 V CA 1.500 64.075 62.300 0.458 0.000 1.024 5417 V CB -0.513 31.598 31.823 0.481 0.000 0.651 5417 V HN 0.438 nan 8.190 nan 0.000 0.449 5418 K N 0.294 120.851 120.400 0.263 0.000 1.991 5418 K HA -0.196 4.120 4.320 -0.005 0.000 0.212 5418 K C 2.572 179.188 176.600 0.028 0.000 1.049 5418 K CA 1.785 58.053 56.287 -0.032 0.000 0.932 5418 K CB -0.549 31.810 32.500 -0.235 0.000 0.717 5418 K HN 0.394 nan 8.250 nan 0.000 0.441 5419 S N 0.326 116.032 115.700 0.010 0.000 2.380 5419 S HA -0.250 4.217 4.470 -0.005 0.000 0.229 5419 S C 1.980 176.578 174.600 -0.004 0.000 1.050 5419 S CA 1.636 59.800 58.200 -0.060 0.000 1.100 5419 S CB -0.477 62.615 63.200 -0.180 0.000 0.984 5419 S HN 0.311 nan 8.310 nan 0.000 0.434 5420 Y N 1.607 121.991 120.300 0.141 0.000 2.315 5420 Y HA -0.003 4.544 4.550 -0.005 0.000 0.288 5420 Y C 2.655 178.782 175.900 0.378 0.000 1.154 5420 Y CA 0.782 59.034 58.100 0.253 0.000 1.229 5420 Y CB -0.826 37.786 38.460 0.252 0.000 0.980 5420 Y HN 0.414 nan 8.280 nan 0.000 0.540 5421 A N -0.072 123.015 122.820 0.445 0.000 1.897 5421 A HA -0.131 4.186 4.320 -0.005 0.000 0.215 5421 A C 2.260 179.865 177.584 0.035 0.000 1.181 5421 A CA 1.177 53.288 52.037 0.124 0.000 0.620 5421 A CB -0.401 18.607 19.000 0.014 0.000 0.821 5421 A HN 0.363 nan 8.150 nan 0.000 0.443 5422 R N -0.454 120.052 120.500 0.010 0.000 2.148 5422 R HA -0.028 4.309 4.340 -0.005 0.000 0.227 5422 R C 1.415 177.630 176.300 -0.141 0.000 1.103 5422 R CA 1.048 57.104 56.100 -0.072 0.000 0.983 5422 R CB -0.050 30.215 30.300 -0.058 0.000 0.874 5422 R HN 0.238 nan 8.270 nan 0.000 0.451 5423 K N -0.059 120.367 120.400 0.043 0.000 2.361 5423 K HA 0.119 4.436 4.320 -0.005 0.000 0.196 5423 K C 1.712 178.463 176.600 0.251 0.000 1.039 5423 K CA 0.625 57.012 56.287 0.167 0.000 1.001 5423 K CB 0.336 33.022 32.500 0.309 0.000 0.795 5423 K HN 0.107 nan 8.250 nan 0.000 0.495 5424 A N 1.548 124.510 122.820 0.235 0.000 1.897 5424 A HA -0.058 4.259 4.320 -0.005 0.000 0.215 5424 A C 2.145 179.879 177.584 0.249 0.000 1.181 5424 A CA 0.724 52.953 52.037 0.320 0.000 0.620 5424 A CB -0.470 18.721 19.000 0.319 0.000 0.821 5424 A HN 0.156 nan 8.150 nan 0.000 0.443 5425 I N -0.852 119.751 120.570 0.054 0.000 2.227 5425 I HA -0.325 3.841 4.170 -0.005 0.000 0.250 5425 I C 1.454 177.724 176.117 0.255 0.000 1.087 5425 I CA 1.533 62.869 61.300 0.060 0.000 1.352 5425 I CB -0.366 37.557 38.000 -0.127 0.000 1.043 5425 I HN 0.357 nan 8.210 nan 0.000 0.425 5426 F N 0.880 121.084 119.950 0.422 0.000 2.816 5426 F HA 0.255 4.779 4.527 -0.006 0.000 0.302 5426 F C 1.526 177.678 175.800 0.586 0.000 1.178 5426 F CA 0.508 58.755 58.000 0.412 0.000 1.421 5426 F CB -1.126 38.174 39.000 0.500 0.000 1.114 5426 F HN 0.209 nan 8.300 nan 0.000 0.573 5427 G N -0.371 108.892 108.800 0.771 0.000 2.475 5427 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.223 5427 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.223 5427 G C -0.497 174.822 174.900 0.697 0.000 1.201 5427 G CA -0.894 44.662 45.100 0.760 0.000 0.962 5427 G HN 0.002 nan 8.290 nan 0.000 0.586 5428 E N 0.706 121.335 120.200 0.716 0.000 2.465 5428 E HA 0.271 4.618 4.350 -0.005 0.000 0.260 5428 E C 0.660 177.727 176.600 0.778 0.000 0.980 5428 E CA 0.222 57.058 56.400 0.728 0.000 0.927 5428 E CB 0.382 30.512 29.700 0.718 0.000 0.934 5428 E HN 0.448 nan 8.360 nan 0.000 0.459 5429 I N 4.381 125.335 120.570 0.640 0.000 2.371 5429 I HA 0.150 4.316 4.170 -0.005 0.000 0.290 5429 I C 0.047 176.350 176.117 0.309 0.000 1.028 5429 I CA -0.117 61.493 61.300 0.517 0.000 1.345 5429 I CB 0.225 38.504 38.000 0.465 0.000 1.407 5429 I HN 0.227 nan 8.210 nan 0.000 0.501 5430 F N 3.728 123.659 119.950 -0.032 0.000 2.639 5430 F HA 0.423 4.946 4.527 -0.005 0.000 0.339 5430 F C 0.307 175.794 175.800 -0.521 0.000 1.071 5430 F CA -1.016 56.802 58.000 -0.304 0.000 0.994 5430 F CB 1.246 39.878 39.000 -0.614 0.000 1.341 5430 F HN 0.343 nan 8.300 nan 0.000 0.498 5431 E N 1.273 121.254 120.200 -0.365 0.000 2.113 5431 E HA 0.436 4.783 4.350 -0.005 0.000 0.273 5431 E C -1.762 174.606 176.600 -0.386 0.000 0.924 5431 E CA -0.303 55.913 56.400 -0.307 0.000 0.764 5431 E CB 0.600 30.191 29.700 -0.182 0.000 1.104 5431 E HN 0.329 nan 8.360 nan 0.000 0.406 5432 F N 2.172 122.155 119.950 0.056 0.000 2.432 5432 F HA 0.253 4.777 4.527 -0.005 0.000 0.329 5432 F C 0.345 176.147 175.800 0.003 0.000 1.076 5432 F CA -1.019 57.002 58.000 0.034 0.000 1.018 5432 F CB 1.170 40.198 39.000 0.048 0.000 1.201 5432 F HN 0.382 nan 8.300 nan 0.000 0.489 5433 D N 0.103 120.622 120.400 0.200 0.000 2.373 5433 D HA 0.188 4.825 4.640 -0.005 0.000 0.227 5433 D C 0.409 176.758 176.300 0.082 0.000 1.091 5433 D CA -0.409 53.645 54.000 0.090 0.000 0.840 5433 D CB 1.060 41.882 40.800 0.038 0.000 1.060 5433 D HN 0.581 nan 8.370 nan 0.000 0.502 5434 T N 0.253 114.842 114.554 0.057 0.000 3.085 5434 T HA 0.167 4.514 4.350 -0.005 0.000 0.264 5434 T C 1.051 175.752 174.700 0.002 0.000 1.019 5434 T CA -0.205 61.908 62.100 0.023 0.000 0.910 5434 T CB 0.245 69.123 68.868 0.016 0.000 1.059 5434 T HN 0.297 nan 8.240 nan 0.000 0.542 5435 E N 1.554 121.755 120.200 0.002 0.000 2.127 5435 E HA 0.056 4.402 4.350 -0.005 0.000 0.191 5435 E C 2.034 178.626 176.600 -0.014 0.000 0.964 5435 E CA 1.013 57.409 56.400 -0.008 0.000 0.832 5435 E CB -0.284 29.411 29.700 -0.008 0.000 0.790 5435 E HN 0.425 nan 8.360 nan 0.000 0.465 5436 T N 1.022 115.566 114.554 -0.016 0.000 2.665 5436 T HA -0.163 4.184 4.350 -0.005 0.000 0.268 5436 T C 1.486 176.170 174.700 -0.027 0.000 1.035 5436 T CA 1.456 63.541 62.100 -0.025 0.000 1.151 5436 T CB -0.155 68.694 68.868 -0.032 0.000 0.862 5436 T HN 0.157 nan 8.240 nan 0.000 0.438 5437 L N 0.602 121.810 121.223 -0.024 0.000 2.640 5437 L HA 0.304 4.641 4.340 -0.005 0.000 0.230 5437 L C 0.763 177.621 176.870 -0.020 0.000 1.123 5437 L CA -0.202 54.623 54.840 -0.024 0.000 0.900 5437 L CB -0.262 41.782 42.059 -0.025 0.000 1.146 5437 L HN 0.288 nan 8.230 nan 0.000 0.484 5438 N N 1.323 120.012 118.700 -0.019 0.000 2.738 5438 N HA -0.160 4.577 4.740 -0.005 0.000 0.249 5438 N C -0.094 175.402 175.510 -0.023 0.000 1.047 5438 N CA 0.508 53.547 53.050 -0.018 0.000 0.707 5438 N CB -0.559 37.918 38.487 -0.016 0.000 0.937 5438 N HN 0.212 nan 8.380 nan 0.000 0.545 5439 S N 0.362 116.044 115.700 -0.029 0.000 2.589 5439 S HA 0.079 4.546 4.470 -0.005 0.000 0.265 5439 S C 1.250 175.819 174.600 -0.052 0.000 1.342 5439 S CA 0.313 58.486 58.200 -0.045 0.000 1.005 5439 S CB 0.872 64.035 63.200 -0.063 0.000 0.909 5439 S HN 0.521 nan 8.310 nan 0.000 0.555 5440 D N -1.580 118.778 120.400 -0.069 0.000 2.500 5440 D HA 0.242 4.879 4.640 -0.005 0.000 0.217 5440 D C 0.927 177.163 176.300 -0.107 0.000 1.159 5440 D CA 0.313 54.270 54.000 -0.070 0.000 0.828 5440 D CB -0.429 40.340 40.800 -0.052 0.000 1.039 5440 D HN 0.795 nan 8.370 nan 0.000 0.512 5441 G N 0.710 109.414 108.800 -0.161 0.000 2.147 5441 G HA2 -0.230 3.727 3.960 -0.005 0.000 0.244 5441 G HA3 -0.230 3.727 3.960 -0.005 0.000 0.244 5441 G C -0.120 174.570 174.900 -0.350 0.000 1.005 5441 G CA 0.290 45.243 45.100 -0.244 0.000 0.713 5441 G HN 0.444 nan 8.290 nan 0.000 0.515 5442 I N 0.196 120.587 120.570 -0.298 0.000 2.436 5442 I HA 0.491 4.657 4.170 -0.005 0.000 0.289 5442 I C 0.344 176.313 176.117 -0.246 0.000 1.010 5442 I CA -1.373 59.749 61.300 -0.297 0.000 1.098 5442 I CB 1.072 38.998 38.000 -0.124 0.000 1.266 5442 I HN -0.092 nan 8.210 nan 0.000 0.434 5443 F N 5.142 125.006 119.950 -0.144 0.000 2.629 5443 F HA 0.184 4.708 4.527 -0.006 0.000 0.369 5443 F C 0.922 176.657 175.800 -0.109 0.000 1.125 5443 F CA 0.349 58.248 58.000 -0.170 0.000 1.330 5443 F CB 0.147 39.010 39.000 -0.230 0.000 1.071 5443 F HN 0.354 nan 8.300 nan 0.000 0.595 5444 R N 0.519 121.098 120.500 0.132 0.000 2.725 5444 R HA 0.388 4.725 4.340 -0.005 0.000 0.277 5444 R C -0.389 175.943 176.300 0.053 0.000 0.987 5444 R CA -1.034 55.118 56.100 0.087 0.000 0.901 5444 R CB 1.963 32.342 30.300 0.130 0.000 1.207 5444 R HN 0.619 nan 8.270 nan 0.000 0.463 5445 T N 0.566 115.103 114.554 -0.028 0.000 2.813 5445 T HA 0.139 4.486 4.350 -0.005 0.000 0.297 5445 T C 0.564 175.330 174.700 0.108 0.000 1.036 5445 T CA -0.197 61.855 62.100 -0.080 0.000 1.044 5445 T CB 0.604 69.266 68.868 -0.344 0.000 0.993 5445 T HN 0.667 nan 8.240 nan 0.000 0.535 5446 S N 3.132 118.916 115.700 0.139 0.000 2.713 5446 S HA 0.435 4.901 4.470 -0.005 0.000 0.277 5446 S C -1.860 172.992 174.600 0.420 0.000 1.168 5446 S CA -1.192 57.189 58.200 0.302 0.000 0.994 5446 S CB 0.729 64.090 63.200 0.267 0.000 1.054 5446 S HN 0.506 nan 8.310 nan 0.000 0.555 5447 P HA -0.124 nan 4.420 nan 0.000 0.216 5447 P C 1.693 179.360 177.300 0.611 0.000 1.153 5447 P CA 1.263 64.744 63.100 0.634 0.000 0.858 5447 P CB -0.059 32.002 31.700 0.602 0.000 0.789 5448 R N -0.212 120.549 120.500 0.435 0.000 2.117 5448 R HA -0.136 4.201 4.340 -0.005 0.000 0.243 5448 R C 2.204 178.751 176.300 0.411 0.000 1.143 5448 R CA 2.118 58.402 56.100 0.306 0.000 0.968 5448 R CB -1.223 29.131 30.300 0.089 0.000 0.863 5448 R HN 0.175 nan 8.270 nan 0.000 0.444 5449 G N 0.013 109.030 108.800 0.360 0.000 2.464 5449 G HA2 -0.254 3.702 3.960 -0.005 0.000 0.214 5449 G HA3 -0.254 3.702 3.960 -0.005 0.000 0.214 5449 G C 0.959 176.007 174.900 0.248 0.000 1.218 5449 G CA 0.660 45.964 45.100 0.340 0.000 0.794 5449 G HN 0.455 nan 8.290 nan 0.000 0.542 5450 W N 0.114 121.582 121.300 0.280 0.000 2.332 5450 W HA -0.037 4.620 4.660 -0.006 0.000 0.321 5450 W C 2.285 178.987 176.519 0.305 0.000 1.219 5450 W CA 0.890 58.375 57.345 0.233 0.000 1.277 5450 W CB -0.907 28.631 29.460 0.129 0.000 1.161 5450 W HN 0.161 nan 8.180 nan 0.000 0.476 5451 F N 1.394 121.680 119.950 0.560 0.000 2.063 5451 F HA -0.391 4.133 4.527 -0.005 0.000 0.298 5451 F C 2.350 178.393 175.800 0.406 0.000 1.105 5451 F CA 2.772 61.111 58.000 0.565 0.000 1.215 5451 F CB -0.900 38.459 39.000 0.598 0.000 0.972 5451 F HN -0.250 nan 8.300 nan 0.000 0.483 5452 T N 0.569 115.495 114.554 0.620 0.000 2.720 5452 T HA -0.251 4.096 4.350 -0.005 0.000 0.268 5452 T C 1.569 176.331 174.700 0.104 0.000 1.037 5452 T CA 1.582 63.895 62.100 0.355 0.000 1.144 5452 T CB -0.761 68.296 68.868 0.316 0.000 0.864 5452 T HN 0.435 nan 8.240 nan 0.000 0.444 5453 F N 2.246 122.170 119.950 -0.043 0.000 2.146 5453 F HA 0.095 4.618 4.527 -0.006 0.000 0.298 5453 F C 2.389 178.059 175.800 -0.218 0.000 1.096 5453 F CA 0.845 58.741 58.000 -0.173 0.000 1.275 5453 F CB -0.801 38.083 39.000 -0.194 0.000 1.008 5453 F HN 0.131 nan 8.300 nan 0.000 0.480 5454 A N -0.077 122.511 122.820 -0.386 0.000 1.858 5454 A HA -0.231 4.086 4.320 -0.005 0.000 0.216 5454 A C 1.885 178.934 177.584 -0.892 0.000 1.190 5454 A CA 2.053 53.603 52.037 -0.812 0.000 0.617 5454 A CB -1.449 17.244 19.000 -0.512 0.000 0.827 5454 A HN 0.606 nan 8.150 nan 0.000 0.443 5455 H N -0.571 118.188 119.070 -0.518 0.000 2.524 5455 H HA 0.232 4.785 4.556 -0.005 0.000 0.282 5455 H C 2.153 177.250 175.328 -0.386 0.000 1.016 5455 H CA 0.982 56.803 56.048 -0.380 0.000 1.270 5455 H CB -0.073 29.461 29.762 -0.380 0.000 1.394 5455 H HN 0.523 nan 8.280 nan 0.000 0.568 5456 A N -0.015 122.616 122.820 -0.316 0.000 2.021 5456 A HA 0.013 4.330 4.320 -0.005 0.000 0.216 5456 A C 2.245 179.589 177.584 -0.400 0.000 1.163 5456 A CA 0.862 52.711 52.037 -0.313 0.000 0.676 5456 A CB -0.150 18.737 19.000 -0.187 0.000 0.818 5456 A HN 0.261 nan 8.150 nan 0.000 0.453 5457 V N -1.511 118.080 119.914 -0.540 0.000 2.685 5457 V HA -0.041 4.076 4.120 -0.005 0.000 0.244 5457 V C 2.071 177.969 176.094 -0.327 0.000 1.054 5457 V CA 1.043 63.043 62.300 -0.499 0.000 1.076 5457 V CB -0.760 30.593 31.823 -0.783 0.000 0.725 5457 V HN 0.501 nan 8.190 nan 0.000 0.467 5458 F N 1.202 120.934 119.950 -0.364 0.000 2.186 5458 F HA -0.016 4.508 4.527 -0.005 0.000 0.299 5458 F C 2.426 178.112 175.800 -0.189 0.000 1.090 5458 F CA 0.790 58.642 58.000 -0.245 0.000 1.307 5458 F CB -1.271 37.480 39.000 -0.415 0.000 1.019 5458 F HN 0.109 nan 8.300 nan 0.000 0.489 5459 A N -0.029 122.654 122.820 -0.229 0.000 1.865 5459 A HA -0.205 4.112 4.320 -0.005 0.000 0.217 5459 A C 2.196 179.624 177.584 -0.261 0.000 1.191 5459 A CA 1.715 53.468 52.037 -0.473 0.000 0.623 5459 A CB -1.216 16.931 19.000 -1.421 0.000 0.826 5459 A HN 0.306 nan 8.150 nan 0.000 0.444 5460 L N -0.615 120.484 121.223 -0.207 0.000 2.201 5460 L HA -0.030 4.306 4.340 -0.005 0.000 0.212 5460 L C 2.241 179.215 176.870 0.174 0.000 1.105 5460 L CA 1.236 56.111 54.840 0.059 0.000 0.775 5460 L CB -0.240 41.851 42.059 0.052 0.000 0.913 5460 L HN 0.406 nan 8.230 nan 0.000 0.440 5461 L N -2.582 118.750 121.223 0.181 0.000 2.240 5461 L HA -0.116 4.220 4.340 -0.005 0.000 0.211 5461 L C 1.854 178.915 176.870 0.318 0.000 1.106 5461 L CA 0.747 55.725 54.840 0.230 0.000 0.793 5461 L CB -0.267 41.931 42.059 0.231 0.000 0.927 5461 L HN 0.185 nan 8.230 nan 0.000 0.446 5462 F N -1.478 118.569 119.950 0.163 0.000 2.780 5462 F HA -0.122 4.402 4.527 -0.005 0.000 0.299 5462 F C 2.098 178.099 175.800 0.335 0.000 1.146 5462 F CA 0.265 58.409 58.000 0.240 0.000 1.428 5462 F CB 0.084 39.232 39.000 0.246 0.000 1.115 5462 F HN 0.024 nan 8.300 nan 0.000 0.583 5463 F N -0.193 119.855 119.950 0.162 0.000 2.163 5463 F HA -0.198 4.326 4.527 -0.006 0.000 0.297 5463 F C 2.034 177.957 175.800 0.206 0.000 1.094 5463 F CA 1.312 59.305 58.000 -0.012 0.000 1.290 5463 F CB -0.827 38.045 39.000 -0.213 0.000 1.017 5463 F HN 0.006 nan 8.300 nan 0.000 0.483 5464 F N 0.936 120.897 119.950 0.017 0.000 2.216 5464 F HA 0.041 4.565 4.527 -0.005 0.000 0.300 5464 F C 2.287 178.042 175.800 -0.075 0.000 1.085 5464 F CA 1.561 59.494 58.000 -0.111 0.000 1.326 5464 F CB -0.847 38.130 39.000 -0.040 0.000 1.027 5464 F HN 0.025 nan 8.300 nan 0.000 0.497 5465 G N -1.155 107.727 108.800 0.137 0.000 2.404 5465 G HA2 -0.336 3.621 3.960 -0.005 0.000 0.215 5465 G HA3 -0.336 3.621 3.960 -0.005 0.000 0.215 5465 G C 1.419 176.410 174.900 0.151 0.000 1.174 5465 G CA 1.085 46.252 45.100 0.113 0.000 0.780 5465 G HN 0.513 nan 8.290 nan 0.000 0.537 5466 H N 0.749 119.873 119.070 0.090 0.000 2.267 5466 H HA 0.053 4.606 4.556 -0.005 0.000 0.297 5466 H C 2.353 177.636 175.328 -0.074 0.000 1.080 5466 H CA 1.580 57.686 56.048 0.097 0.000 1.278 5466 H CB -0.449 29.480 29.762 0.279 0.000 1.365 5466 H HN 0.247 nan 8.280 nan 0.000 0.489 5467 I N 0.370 120.588 120.570 -0.587 0.000 2.700 5467 I HA -0.247 3.920 4.170 -0.005 0.000 0.261 5467 I C 2.163 177.989 176.117 -0.485 0.000 1.219 5467 I CA 0.853 61.752 61.300 -0.667 0.000 1.463 5467 I CB -0.245 37.300 38.000 -0.759 0.000 1.092 5467 I HN 0.577 nan 8.210 nan 0.000 0.452 5468 W N 0.987 121.896 121.300 -0.652 0.000 2.633 5468 W HA -0.099 4.558 4.660 -0.005 0.000 0.295 5468 W C 2.354 178.627 176.519 -0.409 0.000 1.133 5468 W CA 0.903 57.893 57.345 -0.592 0.000 1.490 5468 W CB -0.616 28.431 29.460 -0.689 0.000 1.127 5468 W HN 0.106 nan 8.180 nan 0.000 0.538 5469 H N 0.413 119.373 119.070 -0.185 0.000 2.387 5469 H HA -0.091 4.462 4.556 -0.005 0.000 0.299 5469 H C 2.443 177.598 175.328 -0.287 0.000 1.090 5469 H CA 1.911 57.797 56.048 -0.271 0.000 1.332 5469 H CB -1.023 28.721 29.762 -0.030 0.000 1.386 5469 H HN 0.292 nan 8.280 nan 0.000 0.516 5470 G N 0.670 109.372 108.800 -0.164 0.000 2.514 5470 G HA2 -0.279 3.678 3.960 -0.005 0.000 0.217 5470 G HA3 -0.279 3.678 3.960 -0.005 0.000 0.217 5470 G C 1.992 176.788 174.900 -0.174 0.000 1.198 5470 G CA 1.558 46.545 45.100 -0.188 0.000 0.780 5470 G HN 0.507 nan 8.290 nan 0.000 0.565 5471 A N 0.196 122.872 122.820 -0.239 0.000 2.019 5471 A HA -0.018 4.299 4.320 -0.005 0.000 0.219 5471 A C 2.309 179.793 177.584 -0.167 0.000 1.164 5471 A CA 1.815 53.761 52.037 -0.152 0.000 0.644 5471 A CB -0.369 18.450 19.000 -0.302 0.000 0.805 5471 A HN 0.392 nan 8.150 nan 0.000 0.449 5472 R N -1.092 119.166 120.500 -0.403 0.000 2.236 5472 R HA -0.025 4.312 4.340 -0.005 0.000 0.208 5472 R C 1.599 177.751 176.300 -0.248 0.000 1.036 5472 R CA 1.386 57.219 56.100 -0.446 0.000 1.001 5472 R CB -0.174 29.650 30.300 -0.793 0.000 0.896 5472 R HN 0.496 nan 8.270 nan 0.000 0.464 5473 T N 0.809 115.267 114.554 -0.160 0.000 2.781 5473 T HA 0.049 4.396 4.350 -0.005 0.000 0.252 5473 T C 1.175 175.823 174.700 -0.087 0.000 1.039 5473 T CA 0.613 62.641 62.100 -0.119 0.000 1.147 5473 T CB 0.041 68.849 68.868 -0.100 0.000 0.865 5473 T HN 0.144 nan 8.240 nan 0.000 0.423 5474 L N 0.650 121.836 121.223 -0.062 0.000 2.855 5474 L HA 0.222 4.558 4.340 -0.005 0.000 0.257 5474 L C 0.151 176.850 176.870 -0.285 0.000 1.206 5474 L CA 0.605 55.354 54.840 -0.152 0.000 1.042 5474 L CB -0.580 41.390 42.059 -0.147 0.000 1.321 5474 L HN 0.220 nan 8.230 nan 0.000 0.417 5475 F N -1.521 118.359 119.950 -0.116 0.000 3.169 5475 F HA 0.057 4.581 4.527 -0.004 0.000 0.342 5475 F C 1.788 177.553 175.800 -0.058 0.000 1.268 5475 F CA -0.538 57.411 58.000 -0.084 0.000 0.940 5475 F CB 0.133 39.074 39.000 -0.097 0.000 1.561 5475 F HN -0.044 nan 8.300 nan 0.000 0.495 5476 R N 0.900 121.426 120.500 0.043 0.000 2.091 5476 R HA -0.182 4.155 4.340 -0.005 0.000 0.238 5476 R C 1.564 177.917 176.300 0.088 0.000 1.136 5476 R CA 2.185 58.295 56.100 0.017 0.000 0.959 5476 R CB -1.235 29.017 30.300 -0.080 0.000 0.856 5476 R HN 0.335 nan 8.270 nan 0.000 0.437 5477 D N 1.056 121.483 120.400 0.045 0.000 2.362 5477 D HA -0.131 4.506 4.640 -0.005 0.000 0.215 5477 D C 1.115 177.465 176.300 0.084 0.000 0.978 5477 D CA 1.438 55.465 54.000 0.045 0.000 0.921 5477 D CB 0.070 40.872 40.800 0.003 0.000 0.895 5477 D HN 0.403 nan 8.370 nan 0.000 0.494 5478 V N -1.218 118.782 119.914 0.143 0.000 3.398 5478 V HA 0.100 4.217 4.120 -0.005 0.000 0.298 5478 V C 1.696 177.880 176.094 0.150 0.000 1.496 5478 V CA -0.521 61.862 62.300 0.138 0.000 1.044 5478 V CB -0.865 31.061 31.823 0.173 0.000 0.880 5478 V HN -0.000 nan 8.190 nan 0.000 0.443 5479 F N 2.521 122.476 119.950 0.008 0.000 2.167 5479 F HA -0.303 4.221 4.527 -0.005 0.000 0.301 5479 F C 1.989 177.776 175.800 -0.021 0.000 1.066 5479 F CA 2.094 60.074 58.000 -0.033 0.000 1.285 5479 F CB 0.234 39.207 39.000 -0.046 0.000 1.032 5479 F HN 0.233 nan 8.300 nan 0.000 0.495 5480 S N 0.134 115.821 115.700 -0.021 0.000 2.577 5480 S HA 0.452 4.919 4.470 -0.005 0.000 0.219 5480 S C 0.310 174.858 174.600 -0.087 0.000 0.962 5480 S CA 0.368 58.495 58.200 -0.122 0.000 0.921 5480 S CB 0.012 63.199 63.200 -0.022 0.000 0.789 5480 S HN 0.763 nan 8.310 nan 0.000 0.497 5481 G N 0.427 109.192 108.800 -0.058 0.000 2.375 5481 G HA2 0.295 4.252 3.960 -0.005 0.000 0.663 5481 G HA3 0.295 4.252 3.960 -0.005 0.000 0.663 5481 G C -0.474 174.424 174.900 -0.003 0.000 1.391 5481 G CA -0.764 44.313 45.100 -0.038 0.000 0.949 5481 G HN 0.580 nan 8.290 nan 0.000 0.646 5482 I N -0.641 119.928 120.570 -0.001 0.000 2.892 5482 I HA 0.599 4.766 4.170 -0.005 0.000 0.287 5482 I C 1.164 177.287 176.117 0.011 0.000 1.205 5482 I CA 0.972 62.280 61.300 0.014 0.000 1.409 5482 I CB -0.240 37.766 38.000 0.010 0.000 1.367 5482 I HN 1.968 nan 8.210 nan 0.000 0.597 5483 D N 5.895 126.304 120.400 0.016 0.000 2.363 5483 D HA 0.481 5.117 4.640 -0.005 0.000 0.263 5483 D C -1.829 174.475 176.300 0.006 0.000 1.258 5483 D CA -0.964 53.042 54.000 0.011 0.000 0.907 5483 D CB -0.790 40.017 40.800 0.011 0.000 1.107 5483 D HN 0.844 nan 8.370 nan 0.000 0.495 5484 P HA 0.388 nan 4.420 nan 0.000 0.263 5484 P C 0.361 177.662 177.300 0.002 0.000 1.168 5484 P CA 1.675 64.775 63.100 0.001 0.000 0.759 5484 P CB 0.007 31.707 31.700 0.000 0.000 0.782 5485 E N -2.117 118.084 120.200 0.001 0.000 6.993 5485 E HA 0.247 4.594 4.350 -0.005 0.000 0.276 5485 E C -0.886 175.716 176.600 0.003 0.000 1.113 5485 E CA 0.746 57.147 56.400 0.002 0.000 1.400 5485 E CB -2.153 27.548 29.700 0.001 0.000 0.936 5485 E HN 0.822 nan 8.360 nan 0.000 0.285 5486 L N -1.732 119.493 121.223 0.003 0.000 2.654 5486 L HA 1.199 5.536 4.340 -0.005 0.000 0.257 5486 L C 0.712 177.584 176.870 0.003 0.000 1.093 5486 L CA 0.377 55.219 54.840 0.004 0.000 0.903 5486 L CB 0.856 42.919 42.059 0.006 0.000 1.520 5486 L HN 2.643 nan 8.230 nan 0.000 0.402 5487 S N -1.811 113.891 115.700 0.003 0.000 2.683 5487 S HA 1.030 5.497 4.470 -0.005 0.000 0.269 5487 S C -0.649 173.953 174.600 0.003 0.000 1.165 5487 S CA -0.188 58.014 58.200 0.003 0.000 0.840 5487 S CB 0.209 63.410 63.200 0.002 0.000 1.169 5487 S HN 2.673 nan 8.310 nan 0.000 0.490 5488 P HA 0.477 nan 4.420 nan 0.000 0.014 5488 P C -0.329 176.974 177.300 0.004 0.000 0.521 5488 P CA 3.019 66.121 63.100 0.003 0.000 1.035 5488 P CB -2.049 29.652 31.700 0.002 0.000 1.909 5489 E N 0.000 120.203 120.200 0.005 0.000 2.725 5489 E HA 0.000 4.347 4.350 -0.005 0.000 0.291 5489 E CA 0.000 56.404 56.400 0.007 0.000 0.976 5489 E CB 0.000 29.704 29.700 0.008 0.000 0.812 5489 E HN 0.000 nan 8.360 nan 0.000 0.440