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 3kfk_1_B DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXETASEMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE 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 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.484 175.510 -0.044 0.000 1.280 11 N CA 0.000 53.026 53.050 -0.040 0.000 0.885 11 N CB 0.000 38.470 38.487 -0.029 0.000 1.341 12 M N 0.515 120.083 119.600 -0.054 0.000 2.532 12 M HA 0.255 4.735 4.480 0.001 0.000 0.244 12 M C -0.267 175.978 176.300 -0.092 0.000 1.390 12 M CA 0.596 55.860 55.300 -0.060 0.000 1.132 12 M CB 0.690 33.261 32.600 -0.047 0.000 1.466 12 M HN 0.255 nan 8.290 nan 0.000 0.550 13 K N 0.918 121.250 120.400 -0.115 0.000 2.471 13 K HA 0.586 4.907 4.320 0.001 0.000 0.252 13 K C -1.030 175.426 176.600 -0.241 0.000 0.938 13 K CA -0.496 55.671 56.287 -0.200 0.000 0.796 13 K CB 3.016 35.410 32.500 -0.176 0.000 1.161 13 K HN -0.017 nan 8.250 nan 0.000 0.425 14 R N 2.840 123.117 120.500 -0.371 0.000 2.566 14 R HA 0.320 4.660 4.340 0.001 0.000 0.271 14 R C -1.721 174.320 176.300 -0.431 0.000 1.071 14 R CA -0.644 55.279 56.100 -0.294 0.000 0.915 14 R CB 1.192 31.412 30.300 -0.133 0.000 1.228 14 R HN 0.524 nan 8.270 nan 0.000 0.449 15 Y N 2.916 123.215 120.300 -0.002 0.000 2.409 15 Y HA 0.461 5.011 4.550 0.001 0.000 0.339 15 Y C 0.320 176.221 175.900 0.001 0.000 1.033 15 Y CA -0.976 57.126 58.100 0.003 0.000 1.094 15 Y CB 1.931 40.397 38.460 0.010 0.000 1.210 15 Y HN 0.206 nan 8.280 nan 0.000 0.456 16 M N 2.721 122.409 119.600 0.146 0.000 2.088 16 M HA 0.272 4.752 4.480 0.001 0.000 0.346 16 M C 1.061 177.400 176.300 0.065 0.000 1.111 16 M CA -0.046 55.300 55.300 0.077 0.000 1.017 16 M CB 0.487 33.115 32.600 0.046 0.000 1.568 16 M HN 1.033 nan 8.290 nan 0.000 0.445 17 G N 4.847 113.674 108.800 0.046 0.000 3.284 17 G HA2 -0.415 3.546 3.960 0.001 0.000 0.351 17 G HA3 -0.415 3.546 3.960 0.001 0.000 0.351 17 G C 1.221 176.128 174.900 0.013 0.000 1.232 17 G CA 1.129 46.242 45.100 0.022 0.000 1.001 17 G HN 0.688 nan 8.290 nan 0.000 0.639 18 R N 0.658 121.163 120.500 0.009 0.000 2.148 18 R HA 0.073 4.413 4.340 0.001 0.000 0.227 18 R C 1.957 178.255 176.300 -0.003 0.000 1.103 18 R CA 1.358 57.456 56.100 -0.004 0.000 0.983 18 R CB -0.206 30.092 30.300 -0.002 0.000 0.874 18 R HN 0.483 nan 8.270 nan 0.000 0.451 19 D N -0.011 120.404 120.400 0.025 0.000 2.347 19 D HA 0.015 4.655 4.640 0.001 0.000 0.213 19 D C 1.361 177.652 176.300 -0.016 0.000 0.985 19 D CA 0.791 54.807 54.000 0.026 0.000 0.879 19 D CB 0.349 41.219 40.800 0.115 0.000 0.919 19 D HN 0.267 nan 8.370 nan 0.000 0.526 20 A N 0.288 123.126 122.820 0.031 0.000 1.973 20 A HA -0.020 4.300 4.320 0.001 0.000 0.210 20 A C 2.059 179.628 177.584 -0.026 0.000 1.200 20 A CA 0.344 52.397 52.037 0.027 0.000 0.707 20 A CB -0.110 18.950 19.000 0.101 0.000 0.862 20 A HN 0.035 nan 8.150 nan 0.000 0.461 21 Q N -0.588 119.196 119.800 -0.027 0.000 2.079 21 Q HA -0.099 4.241 4.340 0.001 0.000 0.200 21 Q C 2.275 178.240 176.000 -0.059 0.000 0.974 21 Q CA 1.519 57.297 55.803 -0.042 0.000 0.840 21 Q CB -0.122 28.587 28.738 -0.047 0.000 0.898 21 Q HN 0.608 nan 8.270 nan 0.000 0.430 22 R N -0.054 120.405 120.500 -0.068 0.000 2.148 22 R HA -0.071 4.270 4.340 0.001 0.000 0.223 22 R C 2.039 178.271 176.300 -0.113 0.000 1.088 22 R CA 0.791 56.843 56.100 -0.080 0.000 0.985 22 R CB 0.049 30.308 30.300 -0.069 0.000 0.880 22 R HN 0.171 nan 8.270 nan 0.000 0.451 23 M N 0.669 120.178 119.600 -0.153 0.000 2.175 23 M HA -0.054 4.427 4.480 0.001 0.000 0.264 23 M C 1.079 177.301 176.300 -0.129 0.000 1.063 23 M CA 1.673 56.850 55.300 -0.205 0.000 1.119 23 M CB 0.024 32.381 32.600 -0.406 0.000 1.377 23 M HN 0.059 nan 8.290 nan 0.000 0.415 24 N N -0.232 118.425 118.700 -0.071 0.000 2.290 24 N HA 0.077 4.817 4.740 0.001 0.000 0.179 24 N C 1.646 177.115 175.510 -0.068 0.000 1.016 24 N CA 1.281 54.312 53.050 -0.032 0.000 0.871 24 N CB -0.288 38.199 38.487 0.001 0.000 0.987 24 N HN 0.395 nan 8.380 nan 0.000 0.431 25 I N 0.330 120.857 120.570 -0.073 0.000 2.286 25 I HA -0.162 4.008 4.170 0.001 0.000 0.245 25 I C 2.116 178.181 176.117 -0.086 0.000 1.104 25 I CA 0.616 61.875 61.300 -0.068 0.000 1.397 25 I CB -0.066 37.898 38.000 -0.059 0.000 1.072 25 I HN 0.072 nan 8.210 nan 0.000 0.417 26 L N 0.570 121.727 121.223 -0.111 0.000 2.141 26 L HA -0.150 4.190 4.340 0.001 0.000 0.209 26 L C 2.616 179.387 176.870 -0.165 0.000 1.094 26 L CA 1.399 56.165 54.840 -0.123 0.000 0.763 26 L CB -0.234 41.749 42.059 -0.126 0.000 0.908 26 L HN 0.209 nan 8.230 nan 0.000 0.437 27 A N -0.701 121.972 122.820 -0.244 0.000 1.968 27 A HA -0.038 4.283 4.320 0.001 0.000 0.217 27 A C 2.222 179.700 177.584 -0.176 0.000 1.169 27 A CA 1.275 53.109 52.037 -0.339 0.000 0.638 27 A CB -1.038 17.560 19.000 -0.671 0.000 0.812 27 A HN 0.500 nan 8.150 nan 0.000 0.446 28 G N -0.896 107.835 108.800 -0.114 0.000 2.430 28 G HA2 -0.092 3.868 3.960 0.001 0.000 0.216 28 G HA3 -0.092 3.868 3.960 0.001 0.000 0.216 28 G C 1.741 176.607 174.900 -0.057 0.000 1.146 28 G CA 0.515 45.577 45.100 -0.064 0.000 0.793 28 G HN 0.509 nan 8.290 nan 0.000 0.537 29 R N -0.502 119.959 120.500 -0.066 0.000 2.119 29 R HA 0.237 4.578 4.340 0.001 0.000 0.222 29 R C 2.344 178.611 176.300 -0.054 0.000 1.088 29 R CA 0.473 56.540 56.100 -0.054 0.000 0.984 29 R CB -0.250 30.018 30.300 -0.053 0.000 0.884 29 R HN 0.378 nan 8.270 nan 0.000 0.447 30 I N 1.502 122.031 120.570 -0.069 0.000 2.394 30 I HA -0.198 3.972 4.170 0.001 0.000 0.251 30 I C 1.971 178.060 176.117 -0.048 0.000 1.136 30 I CA 1.192 62.456 61.300 -0.062 0.000 1.425 30 I CB 0.171 38.125 38.000 -0.078 0.000 1.079 30 I HN 0.132 nan 8.210 nan 0.000 0.425 31 I N -1.878 118.663 120.570 -0.047 0.000 3.059 31 I HA 0.120 4.291 4.170 0.001 0.000 0.270 31 I C 2.334 178.435 176.117 -0.026 0.000 1.238 31 I CA 0.923 62.204 61.300 -0.032 0.000 1.478 31 I CB -0.582 37.402 38.000 -0.026 0.000 1.097 31 I HN 0.007 nan 8.210 nan 0.000 0.455 32 A N 1.482 124.283 122.820 -0.031 0.000 1.968 32 A HA -0.066 4.254 4.320 0.001 0.000 0.217 32 A C 2.222 179.790 177.584 -0.027 0.000 1.169 32 A CA 1.177 53.198 52.037 -0.027 0.000 0.638 32 A CB -0.496 18.486 19.000 -0.030 0.000 0.812 32 A HN 0.517 nan 8.150 nan 0.000 0.446 33 E N -0.529 119.654 120.200 -0.029 0.000 2.274 33 E HA -0.080 4.270 4.350 0.001 0.000 0.194 33 E C 1.684 178.270 176.600 -0.023 0.000 0.996 33 E CA 1.197 57.580 56.400 -0.027 0.000 0.840 33 E CB -0.131 29.552 29.700 -0.029 0.000 0.772 33 E HN 0.631 nan 8.360 nan 0.000 0.491 34 T N 0.458 114.999 114.554 -0.022 0.000 2.867 34 T HA -0.102 4.249 4.350 0.001 0.000 0.268 34 T C 1.889 176.579 174.700 -0.016 0.000 1.057 34 T CA 1.313 63.402 62.100 -0.018 0.000 1.136 34 T CB 0.020 68.878 68.868 -0.016 0.000 0.874 34 T HN 0.163 nan 8.240 nan 0.000 0.466 35 V N -1.061 118.843 119.914 -0.017 0.000 3.376 35 V HA 0.451 4.572 4.120 0.001 0.000 0.313 35 V C 1.814 177.897 176.094 -0.018 0.000 1.393 35 V CA -0.203 62.088 62.300 -0.015 0.000 1.125 35 V CB -0.515 31.301 31.823 -0.012 0.000 1.037 35 V HN 0.146 nan 8.190 nan 0.000 0.440 36 R N 1.741 122.228 120.500 -0.021 0.000 2.153 36 R HA -0.028 4.313 4.340 0.001 0.000 0.218 36 R C 2.292 178.577 176.300 -0.025 0.000 1.072 36 R CA 1.436 57.522 56.100 -0.024 0.000 0.990 36 R CB 0.013 30.297 30.300 -0.026 0.000 0.889 36 R HN 0.766 nan 8.270 nan 0.000 0.452 37 S N -1.083 114.604 115.700 -0.022 0.000 2.470 37 S HA -0.082 4.389 4.470 0.001 0.000 0.225 37 S C 1.846 176.432 174.600 -0.022 0.000 1.006 37 S CA 0.896 59.082 58.200 -0.023 0.000 0.934 37 S CB 0.055 63.243 63.200 -0.021 0.000 0.778 37 S HN 0.409 nan 8.310 nan 0.000 0.517 38 T N 0.267 114.810 114.554 -0.018 0.000 2.995 38 T HA 0.173 4.523 4.350 0.001 0.000 0.269 38 T C 0.656 175.346 174.700 -0.016 0.000 1.091 38 T CA 0.003 62.094 62.100 -0.015 0.000 1.128 38 T CB -0.670 68.191 68.868 -0.011 0.000 0.891 38 T HN 0.367 nan 8.240 nan 0.000 0.492 39 L N 1.816 123.027 121.223 -0.020 0.000 2.416 39 L HA 0.518 4.858 4.340 0.001 0.000 0.272 39 L C 0.754 177.607 176.870 -0.029 0.000 1.161 39 L CA 1.047 55.874 54.840 -0.022 0.000 0.845 39 L CB -0.019 42.026 42.059 -0.024 0.000 1.119 39 L HN 0.716 nan 8.230 nan 0.000 0.464 40 G N 3.675 112.459 108.800 -0.025 0.000 2.629 40 G HA2 -0.135 3.826 3.960 0.001 0.000 0.686 40 G HA3 -0.135 3.826 3.960 0.001 0.000 0.686 40 G C -2.405 172.473 174.900 -0.035 0.000 1.232 40 G CA -0.525 44.551 45.100 -0.039 0.000 0.803 40 G HN 0.492 nan 8.290 nan 0.000 0.638 41 P HA 0.005 nan 4.420 nan 0.000 0.218 41 P C 1.090 178.360 177.300 -0.050 0.000 1.148 41 P CA 1.275 64.370 63.100 -0.010 0.000 0.822 41 P CB 0.118 31.810 31.700 -0.014 0.000 0.784 42 K N 0.088 120.407 120.400 -0.135 0.000 3.101 42 K HA 0.305 4.626 4.320 0.001 0.000 0.229 42 K C 0.737 177.299 176.600 -0.064 0.000 1.232 42 K CA -0.374 55.850 56.287 -0.106 0.000 1.210 42 K CB 0.245 32.645 32.500 -0.166 0.000 1.284 42 K HN 0.078 nan 8.250 nan 0.000 0.448 43 G N 0.669 109.445 108.800 -0.039 0.000 2.477 43 G HA2 0.364 4.324 3.960 0.001 0.000 0.304 43 G HA3 0.364 4.324 3.960 0.001 0.000 0.304 43 G C -0.001 174.888 174.900 -0.017 0.000 1.175 43 G CA -0.602 44.481 45.100 -0.028 0.000 0.907 43 G HN 0.035 nan 8.290 nan 0.000 0.509 44 M N 0.406 119.996 119.600 -0.016 0.000 2.528 44 M HA 0.388 4.868 4.480 0.001 0.000 0.318 44 M C -0.923 175.372 176.300 -0.008 0.000 1.195 44 M CA -0.628 54.665 55.300 -0.012 0.000 1.000 44 M CB 1.637 34.228 32.600 -0.014 0.000 1.615 44 M HN 0.354 nan 8.290 nan 0.000 0.469 45 D N 1.033 121.429 120.400 -0.007 0.000 2.326 45 D HA 0.490 5.131 4.640 0.001 0.000 0.251 45 D C -0.509 175.786 176.300 -0.007 0.000 1.023 45 D CA -0.280 53.717 54.000 -0.005 0.000 0.966 45 D CB 1.248 42.045 40.800 -0.004 0.000 1.156 45 D HN 0.135 nan 8.370 nan 0.000 0.494 46 K N 1.037 121.433 120.400 -0.006 0.000 2.345 46 K HA 0.420 4.740 4.320 0.001 0.000 0.255 46 K C -0.909 175.687 176.600 -0.007 0.000 0.934 46 K CA -0.590 55.693 56.287 -0.007 0.000 0.801 46 K CB 2.259 34.755 32.500 -0.006 0.000 1.137 46 K HN 0.461 nan 8.250 nan 0.000 0.424 47 M N 3.859 123.454 119.600 -0.008 0.000 2.149 47 M HA 0.309 4.789 4.480 0.001 0.000 0.342 47 M C -1.476 174.820 176.300 -0.007 0.000 1.068 47 M CA -1.031 54.263 55.300 -0.010 0.000 0.991 47 M CB 0.616 33.209 32.600 -0.012 0.000 1.596 47 M HN 0.348 nan 8.290 nan 0.000 0.439 48 L N 6.101 127.321 121.223 -0.005 0.000 2.298 48 L HA 0.507 4.848 4.340 0.001 0.000 0.284 48 L C -0.888 175.981 176.870 -0.002 0.000 1.013 48 L CA -0.339 54.499 54.840 -0.002 0.000 0.824 48 L CB 1.832 43.892 42.059 0.000 0.000 1.221 48 L HN 0.410 nan 8.230 nan 0.000 0.418 49 V N 3.739 123.653 119.914 -0.001 0.000 2.334 49 V HA 0.363 4.483 4.120 0.001 0.000 0.281 49 V C -0.021 176.074 176.094 0.002 0.000 1.016 49 V CA -0.818 61.482 62.300 -0.001 0.000 0.832 49 V CB 1.094 32.916 31.823 -0.002 0.000 0.999 49 V HN 0.800 nan 8.190 nan 0.000 0.439 50 D N 3.786 124.188 120.400 0.003 0.000 2.430 50 D HA 0.066 4.706 4.640 0.001 0.000 0.285 50 D C 0.883 177.186 176.300 0.005 0.000 1.210 50 D CA -0.070 53.933 54.000 0.005 0.000 1.080 50 D CB 0.506 41.310 40.800 0.006 0.000 1.134 50 D HN 0.466 nan 8.370 nan 0.000 0.562 51 D N -0.279 120.125 120.400 0.006 0.000 2.144 51 D HA -0.134 4.506 4.640 0.001 0.000 0.200 51 D C 2.238 178.541 176.300 0.005 0.000 0.978 51 D CA 0.666 54.669 54.000 0.005 0.000 0.833 51 D CB -0.370 40.433 40.800 0.006 0.000 0.961 51 D HN 0.285 nan 8.370 nan 0.000 0.470 52 L N -0.124 121.103 121.223 0.006 0.000 2.291 52 L HA 0.111 4.452 4.340 0.001 0.000 0.214 52 L C 1.871 178.745 176.870 0.006 0.000 1.120 52 L CA 0.927 55.771 54.840 0.006 0.000 0.799 52 L CB -0.320 41.744 42.059 0.008 0.000 0.925 52 L HN 0.335 nan 8.230 nan 0.000 0.446 53 G N -0.583 108.220 108.800 0.005 0.000 2.141 53 G HA2 -0.215 3.745 3.960 0.001 0.000 0.231 53 G HA3 -0.215 3.745 3.960 0.001 0.000 0.231 53 G C -0.227 174.675 174.900 0.003 0.000 0.984 53 G CA -0.140 44.962 45.100 0.003 0.000 0.660 53 G HN 0.290 nan 8.290 nan 0.000 0.525 54 D N 0.180 120.583 120.400 0.006 0.000 2.390 54 D HA 0.407 5.047 4.640 0.001 0.000 0.249 54 D C 0.386 176.687 176.300 0.003 0.000 1.144 54 D CA 0.062 54.066 54.000 0.008 0.000 0.880 54 D CB 2.112 42.920 40.800 0.014 0.000 1.182 54 D HN 0.250 nan 8.370 nan 0.000 0.451 55 V N 3.335 123.247 119.914 -0.003 0.000 2.472 55 V HA 0.564 4.684 4.120 0.001 0.000 0.290 55 V C -0.741 175.341 176.094 -0.020 0.000 1.037 55 V CA -0.414 61.877 62.300 -0.014 0.000 0.908 55 V CB 1.774 33.582 31.823 -0.024 0.000 0.985 55 V HN 0.287 nan 8.190 nan 0.000 0.454 56 V N 6.868 126.771 119.914 -0.018 0.000 2.752 56 V HA 0.564 4.685 4.120 0.001 0.000 0.302 56 V C -1.214 174.870 176.094 -0.017 0.000 1.133 56 V CA -0.270 62.020 62.300 -0.018 0.000 0.919 56 V CB 2.362 34.189 31.823 0.007 0.000 1.026 56 V HN 0.731 nan 8.190 nan 0.000 0.429 57 V N 5.590 125.489 119.914 -0.025 0.000 2.384 57 V HA 0.802 4.922 4.120 0.001 0.000 0.287 57 V C 0.099 176.189 176.094 -0.007 0.000 1.020 57 V CA -0.098 62.191 62.300 -0.018 0.000 0.850 57 V CB 1.564 33.372 31.823 -0.026 0.000 0.987 57 V HN 1.001 nan 8.190 nan 0.000 0.436 58 T N 2.715 117.268 114.554 -0.002 0.000 2.923 58 T HA 0.303 4.653 4.350 0.001 0.000 0.311 58 T C 0.377 175.079 174.700 0.002 0.000 1.183 58 T CA -0.481 61.621 62.100 0.004 0.000 1.020 58 T CB 1.943 70.816 68.868 0.008 0.000 1.165 58 T HN 0.634 nan 8.240 nan 0.000 0.482 59 N N 1.922 120.624 118.700 0.004 0.000 2.415 59 N HA 0.014 4.754 4.740 0.001 0.000 0.174 59 N C 0.006 175.517 175.510 0.002 0.000 1.048 59 N CA 0.164 53.216 53.050 0.002 0.000 0.895 59 N CB 0.145 38.635 38.487 0.005 0.000 1.036 59 N HN 0.717 nan 8.380 nan 0.000 0.449 60 D N -0.002 120.401 120.400 0.005 0.000 2.520 60 D HA 0.025 4.665 4.640 0.001 0.000 0.243 60 D C 1.327 177.628 176.300 0.003 0.000 1.160 60 D CA 0.352 54.355 54.000 0.005 0.000 0.877 60 D CB 0.824 41.629 40.800 0.008 0.000 1.150 60 D HN 0.303 nan 8.370 nan 0.000 0.494 61 G N 2.692 111.493 108.800 0.001 0.000 2.422 61 G HA2 -0.195 3.766 3.960 0.001 0.000 0.218 61 G HA3 -0.195 3.766 3.960 0.001 0.000 0.218 61 G C 1.442 176.343 174.900 0.000 0.000 1.140 61 G CA 0.583 45.682 45.100 -0.001 0.000 0.775 61 G HN 0.487 nan 8.290 nan 0.000 0.545 62 V N 1.534 121.449 119.914 0.002 0.000 2.591 62 V HA -0.079 4.042 4.120 0.001 0.000 0.249 62 V C 3.167 179.264 176.094 0.005 0.000 1.053 62 V CA 2.656 64.958 62.300 0.004 0.000 1.068 62 V CB -0.435 31.390 31.823 0.004 0.000 0.689 62 V HN 0.573 nan 8.190 nan 0.000 0.462 63 T N -2.040 112.517 114.554 0.006 0.000 2.995 63 T HA -0.031 4.320 4.350 0.001 0.000 0.269 63 T C 1.740 176.445 174.700 0.007 0.000 1.091 63 T CA 1.549 63.653 62.100 0.008 0.000 1.128 63 T CB -0.393 68.481 68.868 0.010 0.000 0.891 63 T HN 0.471 nan 8.240 nan 0.000 0.492 64 I N 0.761 121.333 120.570 0.005 0.000 2.193 64 I HA 0.008 4.179 4.170 0.001 0.000 0.240 64 I C 2.379 178.498 176.117 0.004 0.000 1.084 64 I CA 1.075 62.377 61.300 0.003 0.000 1.365 64 I CB -0.341 37.659 38.000 0.000 0.000 1.064 64 I HN 0.156 nan 8.210 nan 0.000 0.410 65 L N 0.133 121.358 121.223 0.004 0.000 2.275 65 L HA -0.103 4.238 4.340 0.001 0.000 0.215 65 L C 2.658 179.532 176.870 0.007 0.000 1.119 65 L CA 1.048 55.891 54.840 0.005 0.000 0.790 65 L CB -0.456 41.606 42.059 0.004 0.000 0.919 65 L HN 0.149 nan 8.230 nan 0.000 0.443 66 R N -0.099 120.406 120.500 0.008 0.000 2.075 66 R HA -0.043 4.297 4.340 0.001 0.000 0.226 66 R C 1.432 177.737 176.300 0.009 0.000 1.114 66 R CA 0.950 57.056 56.100 0.009 0.000 0.972 66 R CB 0.028 30.333 30.300 0.008 0.000 0.869 66 R HN 0.391 nan 8.270 nan 0.000 0.437 67 E N 0.547 120.752 120.200 0.009 0.000 2.481 67 E HA 0.076 4.426 4.350 0.001 0.000 0.198 67 E C 0.322 176.927 176.600 0.009 0.000 1.027 67 E CA -0.191 56.215 56.400 0.009 0.000 0.900 67 E CB 0.530 30.236 29.700 0.010 0.000 0.993 67 E HN 0.264 nan 8.360 nan 0.000 0.482 68 M N -1.013 118.592 119.600 0.008 0.000 2.444 68 M HA 0.436 4.917 4.480 0.001 0.000 0.319 68 M C -0.186 176.120 176.300 0.010 0.000 1.183 68 M CA -0.558 54.746 55.300 0.008 0.000 1.032 68 M CB 1.556 34.160 32.600 0.006 0.000 1.569 68 M HN -0.369 nan 8.290 nan 0.000 0.468 69 S N 2.088 117.794 115.700 0.011 0.000 2.423 69 S HA 0.389 4.860 4.470 0.001 0.000 0.302 69 S C -0.412 174.199 174.600 0.018 0.000 1.143 69 S CA -0.674 57.535 58.200 0.013 0.000 1.080 69 S CB -0.527 62.680 63.200 0.012 0.000 1.081 69 S HN 0.463 nan 8.310 nan 0.000 0.522 70 V N 3.853 123.780 119.914 0.022 0.000 2.495 70 V HA 0.427 4.547 4.120 0.001 0.000 0.298 70 V C 0.497 176.614 176.094 0.039 0.000 1.031 70 V CA -0.566 61.754 62.300 0.032 0.000 0.871 70 V CB 1.821 33.662 31.823 0.030 0.000 0.988 70 V HN 0.683 nan 8.190 nan 0.000 0.432 71 E N 0.635 120.868 120.200 0.056 0.000 2.536 71 E HA 0.110 4.460 4.350 0.001 0.000 0.220 71 E C 0.434 177.069 176.600 0.058 0.000 0.876 71 E CA -0.138 56.291 56.400 0.047 0.000 1.190 71 E CB 0.363 30.084 29.700 0.035 0.000 1.191 71 E HN 0.722 nan 8.360 nan 0.000 0.557 72 H N 2.705 121.781 119.070 0.009 0.000 2.848 72 H HA 0.054 4.610 4.556 0.001 0.000 0.317 72 H C -1.693 173.641 175.328 0.011 0.000 1.046 72 H CA -1.254 54.800 56.048 0.011 0.000 1.470 72 H CB 1.555 31.318 29.762 0.001 0.000 1.483 72 H HN -0.198 nan 8.280 nan 0.000 0.548 73 P HA -0.125 nan 4.420 nan 0.000 0.216 73 P C 1.013 178.378 177.300 0.109 0.000 1.150 73 P CA 1.864 64.956 63.100 -0.014 0.000 0.837 73 P CB 0.168 31.812 31.700 -0.092 0.000 0.786 74 A N -0.394 122.603 122.820 0.294 0.000 2.014 74 A HA 0.076 4.396 4.320 0.001 0.000 0.218 74 A C 2.239 179.899 177.584 0.126 0.000 1.163 74 A CA 1.558 53.719 52.037 0.208 0.000 0.652 74 A CB -1.317 17.811 19.000 0.213 0.000 0.808 74 A HN 0.191 nan 8.150 nan 0.000 0.449 75 A N -0.065 122.849 122.820 0.155 0.000 1.970 75 A HA -0.027 4.293 4.320 0.001 0.000 0.216 75 A C 2.016 179.631 177.584 0.052 0.000 1.170 75 A CA 1.410 53.483 52.037 0.061 0.000 0.645 75 A CB -0.285 18.743 19.000 0.047 0.000 0.816 75 A HN 0.488 nan 8.150 nan 0.000 0.447 76 K N -0.728 119.712 120.400 0.065 0.000 2.211 76 K HA 0.043 4.363 4.320 0.001 0.000 0.203 76 K C 1.777 178.396 176.600 0.032 0.000 1.050 76 K CA 1.233 57.545 56.287 0.042 0.000 0.945 76 K CB -0.202 32.321 32.500 0.038 0.000 0.732 76 K HN 0.489 nan 8.250 nan 0.000 0.451 77 M N 0.029 119.650 119.600 0.036 0.000 2.419 77 M HA -0.080 4.400 4.480 0.001 0.000 0.264 77 M C 1.666 177.980 176.300 0.023 0.000 1.082 77 M CA 0.849 56.166 55.300 0.029 0.000 1.119 77 M CB 0.086 32.705 32.600 0.031 0.000 1.398 77 M HN 0.071 nan 8.290 nan 0.000 0.453 78 L N -0.017 121.219 121.223 0.021 0.000 2.509 78 L HA 0.106 4.447 4.340 0.001 0.000 0.222 78 L C 1.547 178.424 176.870 0.012 0.000 1.123 78 L CA 0.946 55.794 54.840 0.014 0.000 0.856 78 L CB -0.036 42.027 42.059 0.007 0.000 0.985 78 L HN 0.188 nan 8.230 nan 0.000 0.456 79 I N -1.073 119.505 120.570 0.014 0.000 3.646 79 I HA -0.008 4.162 4.170 0.001 0.000 0.301 79 I C 1.378 177.502 176.117 0.012 0.000 1.276 79 I CA 0.165 61.473 61.300 0.012 0.000 1.254 79 I CB -0.207 37.801 38.000 0.013 0.000 1.020 79 I HN 0.174 nan 8.210 nan 0.000 0.473 80 E N 0.376 120.584 120.200 0.014 0.000 2.415 80 E HA 0.032 4.383 4.350 0.001 0.000 0.197 80 E C 2.262 178.870 176.600 0.013 0.000 1.007 80 E CA 0.556 56.965 56.400 0.013 0.000 0.890 80 E CB 0.426 30.135 29.700 0.015 0.000 0.891 80 E HN 0.322 nan 8.360 nan 0.000 0.496 81 V N 1.456 121.378 119.914 0.013 0.000 2.283 81 V HA -0.143 3.977 4.120 0.001 0.000 0.243 81 V C 2.434 178.534 176.094 0.010 0.000 1.039 81 V CA 1.896 64.204 62.300 0.013 0.000 1.016 81 V CB -0.732 31.099 31.823 0.013 0.000 0.650 81 V HN 0.208 nan 8.190 nan 0.000 0.449 82 A N -0.484 122.340 122.820 0.007 0.000 1.968 82 A HA -0.181 4.140 4.320 0.001 0.000 0.217 82 A C 2.303 179.891 177.584 0.006 0.000 1.169 82 A CA 1.785 53.825 52.037 0.005 0.000 0.638 82 A CB -0.419 18.583 19.000 0.003 0.000 0.812 82 A HN 0.492 nan 8.150 nan 0.000 0.446 83 K N -0.215 120.189 120.400 0.007 0.000 2.148 83 K HA -0.113 4.208 4.320 0.001 0.000 0.204 83 K C 1.693 178.298 176.600 0.007 0.000 1.050 83 K CA 1.702 57.993 56.287 0.007 0.000 0.942 83 K CB -0.121 32.384 32.500 0.008 0.000 0.724 83 K HN 0.633 nan 8.250 nan 0.000 0.446 84 T N -2.175 112.384 114.554 0.008 0.000 3.107 84 T HA 0.012 4.363 4.350 0.001 0.000 0.249 84 T C 1.540 176.245 174.700 0.008 0.000 1.096 84 T CA 0.082 62.187 62.100 0.008 0.000 1.012 84 T CB 0.439 69.314 68.868 0.011 0.000 0.977 84 T HN 0.082 nan 8.240 nan 0.000 0.527 85 Q N 2.350 122.155 119.800 0.007 0.000 2.165 85 Q HA 0.007 4.347 4.340 0.001 0.000 0.197 85 Q C 2.166 178.169 176.000 0.005 0.000 0.952 85 Q CA 1.539 57.346 55.803 0.006 0.000 0.848 85 Q CB -0.123 28.618 28.738 0.005 0.000 0.931 85 Q HN 0.825 nan 8.270 nan 0.000 0.470 86 E N -0.800 119.403 120.200 0.004 0.000 2.274 86 E HA -0.150 4.200 4.350 0.001 0.000 0.194 86 E C 1.666 178.268 176.600 0.003 0.000 0.996 86 E CA 0.955 57.357 56.400 0.003 0.000 0.840 86 E CB -0.064 29.638 29.700 0.004 0.000 0.772 86 E HN 0.040 nan 8.360 nan 0.000 0.491 87 K N 0.660 121.062 120.400 0.004 0.000 2.116 87 K HA -0.046 4.274 4.320 0.001 0.000 0.203 87 K C 1.908 178.509 176.600 0.002 0.000 1.052 87 K CA 1.144 57.433 56.287 0.003 0.000 0.952 87 K CB 0.333 32.835 32.500 0.004 0.000 0.729 87 K HN 0.056 nan 8.250 nan 0.000 0.446 88 E N -0.682 119.521 120.200 0.004 0.000 2.099 88 E HA 0.011 4.361 4.350 0.001 0.000 0.191 88 E C 1.868 178.469 176.600 0.003 0.000 0.962 88 E CA 0.961 57.363 56.400 0.003 0.000 0.826 88 E CB 0.210 29.913 29.700 0.005 0.000 0.788 88 E HN 0.100 nan 8.360 nan 0.000 0.461 89 V N -1.155 118.761 119.914 0.003 0.000 2.735 89 V HA 0.354 4.475 4.120 0.001 0.000 0.234 89 V C 1.666 177.761 176.094 0.002 0.000 1.121 89 V CA 1.116 63.417 62.300 0.002 0.000 1.160 89 V CB 0.262 32.087 31.823 0.003 0.000 0.908 89 V HN 0.433 nan 8.190 nan 0.000 0.495 90 G N 0.289 109.091 108.800 0.002 0.000 2.953 90 G HA2 -0.196 3.765 3.960 0.001 0.000 0.201 90 G HA3 -0.196 3.765 3.960 0.001 0.000 0.201 90 G C -0.133 174.769 174.900 0.003 0.000 1.501 90 G CA 0.210 45.311 45.100 0.002 0.000 1.094 90 G HN 0.545 nan 8.290 nan 0.000 0.555 91 D N 1.064 121.466 120.400 0.003 0.000 2.210 91 D HA 0.546 5.186 4.640 0.001 0.000 0.249 91 D C 0.960 177.261 176.300 0.003 0.000 1.078 91 D CA 1.316 55.318 54.000 0.004 0.000 0.875 91 D CB 0.831 41.634 40.800 0.005 0.000 1.175 91 D HN 1.666 nan 8.370 nan 0.000 0.440 92 G N 2.144 110.945 108.800 0.002 0.000 2.145 92 G HA2 -0.255 3.706 3.960 0.001 0.000 0.176 92 G HA3 -0.255 3.706 3.960 0.001 0.000 0.176 92 G C 0.951 175.850 174.900 -0.002 0.000 1.013 92 G CA 0.510 45.610 45.100 -0.001 0.000 0.689 92 G HN 0.649 nan 8.290 nan 0.000 0.506 93 T N -3.112 111.442 114.554 -0.001 0.000 2.904 93 T HA -0.016 4.335 4.350 0.001 0.000 0.267 93 T C 2.238 176.935 174.700 -0.004 0.000 1.059 93 T CA 2.378 64.477 62.100 -0.001 0.000 1.137 93 T CB -0.306 68.563 68.868 0.001 0.000 0.879 93 T HN 0.248 nan 8.240 nan 0.000 0.467 94 T N 2.738 117.289 114.554 -0.005 0.000 2.812 94 T HA -0.083 4.268 4.350 0.001 0.000 0.264 94 T C 2.464 177.156 174.700 -0.014 0.000 1.042 94 T CA 1.856 63.951 62.100 -0.009 0.000 1.140 94 T CB -0.854 68.009 68.868 -0.009 0.000 0.870 94 T HN 0.785 nan 8.240 nan 0.000 0.445 95 T N 1.059 115.605 114.554 -0.014 0.000 2.867 95 T HA 0.081 4.432 4.350 0.001 0.000 0.268 95 T C 2.237 176.924 174.700 -0.022 0.000 1.057 95 T CA 0.968 63.056 62.100 -0.020 0.000 1.136 95 T CB -0.498 68.360 68.868 -0.018 0.000 0.874 95 T HN 0.326 nan 8.240 nan 0.000 0.466 96 A N 0.813 123.625 122.820 -0.014 0.000 2.014 96 A HA 0.206 4.526 4.320 0.001 0.000 0.218 96 A C 2.501 180.078 177.584 -0.013 0.000 1.163 96 A CA 1.137 53.167 52.037 -0.011 0.000 0.652 96 A CB -0.669 18.330 19.000 -0.003 0.000 0.808 96 A HN 0.438 nan 8.150 nan 0.000 0.449 97 V N -0.794 119.112 119.914 -0.014 0.000 2.446 97 V HA -0.127 3.993 4.120 0.001 0.000 0.244 97 V C 2.497 178.578 176.094 -0.022 0.000 1.039 97 V CA 1.543 63.835 62.300 -0.014 0.000 1.045 97 V CB -0.537 31.279 31.823 -0.012 0.000 0.681 97 V HN 0.324 nan 8.190 nan 0.000 0.459 98 V N 0.027 119.925 119.914 -0.027 0.000 2.343 98 V HA -0.215 3.906 4.120 0.001 0.000 0.247 98 V C 2.469 178.536 176.094 -0.045 0.000 1.051 98 V CA 1.824 64.104 62.300 -0.034 0.000 1.036 98 V CB -0.507 31.295 31.823 -0.035 0.000 0.654 98 V HN 0.398 nan 8.190 nan 0.000 0.451 99 V N 0.434 120.316 119.914 -0.053 0.000 2.343 99 V HA -0.271 3.849 4.120 0.001 0.000 0.247 99 V C 2.731 178.783 176.094 -0.070 0.000 1.051 99 V CA 2.070 64.323 62.300 -0.079 0.000 1.036 99 V CB -1.138 30.631 31.823 -0.091 0.000 0.654 99 V HN 0.568 nan 8.190 nan 0.000 0.451 100 A N 0.349 123.145 122.820 -0.039 0.000 1.972 100 A HA -0.094 4.227 4.320 0.001 0.000 0.219 100 A C 2.367 179.943 177.584 -0.012 0.000 1.169 100 A CA 1.901 53.929 52.037 -0.014 0.000 0.635 100 A CB -1.021 17.978 19.000 -0.001 0.000 0.810 100 A HN 0.548 nan 8.150 nan 0.000 0.446 101 G N -0.768 108.017 108.800 -0.024 0.000 2.403 101 G HA2 -0.136 3.824 3.960 0.001 0.000 0.216 101 G HA3 -0.136 3.824 3.960 0.001 0.000 0.216 101 G C 1.446 176.331 174.900 -0.025 0.000 1.154 101 G CA 1.121 46.205 45.100 -0.026 0.000 0.784 101 G HN 0.546 nan 8.290 nan 0.000 0.538 102 E N 0.249 120.426 120.200 -0.037 0.000 2.152 102 E HA 0.076 4.427 4.350 0.001 0.000 0.192 102 E C 2.423 179.009 176.600 -0.023 0.000 0.983 102 E CA 0.342 56.718 56.400 -0.041 0.000 0.818 102 E CB -0.302 29.358 29.700 -0.067 0.000 0.758 102 E HN 0.421 nan 8.360 nan 0.000 0.467 103 L N -0.114 121.100 121.223 -0.014 0.000 2.275 103 L HA -0.084 4.256 4.340 0.001 0.000 0.215 103 L C 2.055 179.004 176.870 0.132 0.000 1.119 103 L CA 0.600 55.492 54.840 0.087 0.000 0.790 103 L CB -0.186 41.940 42.059 0.112 0.000 0.919 103 L HN 0.210 nan 8.230 nan 0.000 0.443 104 L N -1.060 120.191 121.223 0.046 0.000 2.270 104 L HA -0.060 4.281 4.340 0.001 0.000 0.210 104 L C 2.712 179.585 176.870 0.004 0.000 1.104 104 L CA 0.566 55.413 54.840 0.012 0.000 0.804 104 L CB -0.318 41.734 42.059 -0.011 0.000 0.937 104 L HN 0.184 nan 8.230 nan 0.000 0.450 105 R N 0.372 120.875 120.500 0.006 0.000 2.073 105 R HA -0.093 4.248 4.340 0.001 0.000 0.229 105 R C 2.026 178.337 176.300 0.018 0.000 1.120 105 R CA 0.934 57.034 56.100 -0.000 0.000 0.967 105 R CB 0.190 30.483 30.300 -0.010 0.000 0.862 105 R HN 0.101 nan 8.270 nan 0.000 0.436 106 K N -0.067 120.360 120.400 0.046 0.000 2.366 106 K HA 0.021 4.341 4.320 0.001 0.000 0.198 106 K C 1.646 178.313 176.600 0.112 0.000 1.044 106 K CA 0.872 57.206 56.287 0.078 0.000 0.973 106 K CB 0.306 32.860 32.500 0.091 0.000 0.767 106 K HN 0.212 nan 8.250 nan 0.000 0.475 107 A N 1.838 124.710 122.820 0.087 0.000 1.903 107 A HA -0.140 4.180 4.320 0.001 0.000 0.213 107 A C 2.003 179.577 177.584 -0.017 0.000 1.185 107 A CA 1.133 53.177 52.037 0.012 0.000 0.628 107 A CB -0.251 18.696 19.000 -0.089 0.000 0.830 107 A HN 0.445 nan 8.150 nan 0.000 0.446 108 E N 0.206 120.396 120.200 -0.017 0.000 2.347 108 E HA -0.149 4.201 4.350 0.001 0.000 0.196 108 E C 1.390 177.982 176.600 -0.012 0.000 1.008 108 E CA 1.110 57.495 56.400 -0.025 0.000 0.852 108 E CB -0.288 29.395 29.700 -0.030 0.000 0.783 108 E HN 0.710 nan 8.360 nan 0.000 0.505 109 E N 0.718 120.920 120.200 0.003 0.000 2.152 109 E HA -0.078 4.272 4.350 0.001 0.000 0.192 109 E C 1.961 178.569 176.600 0.012 0.000 0.983 109 E CA 0.834 57.239 56.400 0.009 0.000 0.818 109 E CB 0.029 29.740 29.700 0.018 0.000 0.758 109 E HN 0.373 nan 8.360 nan 0.000 0.467 110 L N 0.283 121.516 121.223 0.017 0.000 2.270 110 L HA -0.047 4.294 4.340 0.001 0.000 0.210 110 L C 2.182 179.051 176.870 -0.002 0.000 1.104 110 L CA 0.365 55.216 54.840 0.019 0.000 0.804 110 L CB -0.073 42.008 42.059 0.037 0.000 0.937 110 L HN 0.122 nan 8.230 nan 0.000 0.450 111 L N -0.395 120.816 121.223 -0.020 0.000 2.156 111 L HA -0.160 4.180 4.340 0.001 0.000 0.208 111 L C 1.684 178.539 176.870 -0.025 0.000 1.095 111 L CA 0.918 55.736 54.840 -0.037 0.000 0.770 111 L CB -0.433 41.593 42.059 -0.055 0.000 0.914 111 L HN 0.223 nan 8.230 nan 0.000 0.439 112 D N -0.462 119.929 120.400 -0.016 0.000 2.312 112 D HA -0.126 4.514 4.640 0.001 0.000 0.211 112 D C 1.752 178.050 176.300 -0.003 0.000 0.964 112 D CA 0.774 54.768 54.000 -0.010 0.000 0.877 112 D CB 0.069 40.864 40.800 -0.009 0.000 0.924 112 D HN 0.321 nan 8.370 nan 0.000 0.515 113 Q N 0.113 119.914 119.800 0.001 0.000 2.280 113 Q HA 0.114 4.455 4.340 0.001 0.000 0.202 113 Q C -0.203 175.804 176.000 0.011 0.000 0.903 113 Q CA -0.147 55.661 55.803 0.008 0.000 0.948 113 Q CB 0.329 29.074 28.738 0.012 0.000 1.058 113 Q HN 0.119 nan 8.270 nan 0.000 0.493 114 N N -0.333 118.371 118.700 0.007 0.000 2.741 114 N HA -0.143 4.598 4.740 0.001 0.000 0.250 114 N C -0.970 174.560 175.510 0.032 0.000 1.115 114 N CA 0.523 53.583 53.050 0.016 0.000 0.724 114 N CB -1.511 36.989 38.487 0.021 0.000 1.090 114 N HN 0.041 nan 8.380 nan 0.000 0.558 115 V N 1.720 121.649 119.914 0.026 0.000 2.455 115 V HA 0.049 4.170 4.120 0.001 0.000 0.273 115 V C 1.146 177.269 176.094 0.047 0.000 1.045 115 V CA -0.476 61.852 62.300 0.046 0.000 0.976 115 V CB 1.084 32.929 31.823 0.038 0.000 0.993 115 V HN 0.246 nan 8.190 nan 0.000 0.475 116 H N 7.973 127.040 119.070 -0.005 0.000 2.928 116 H HA 0.070 4.627 4.556 0.001 0.000 0.338 116 H C -1.633 173.683 175.328 -0.020 0.000 1.047 116 H CA -1.242 54.799 56.048 -0.010 0.000 1.435 116 H CB 1.821 31.578 29.762 -0.007 0.000 1.428 116 H HN 0.393 nan 8.280 nan 0.000 0.590 117 P HA -0.159 nan 4.420 nan 0.000 0.217 117 P C 1.359 178.655 177.300 -0.007 0.000 1.148 117 P CA 2.154 65.156 63.100 -0.164 0.000 0.828 117 P CB 0.079 31.628 31.700 -0.252 0.000 0.783 118 T N -3.971 110.705 114.554 0.202 0.000 3.023 118 T HA -0.011 4.339 4.350 0.001 0.000 0.266 118 T C 1.632 176.398 174.700 0.109 0.000 1.093 118 T CA 0.610 62.812 62.100 0.169 0.000 1.129 118 T CB -0.741 68.250 68.868 0.204 0.000 0.899 118 T HN -0.058 nan 8.240 nan 0.000 0.491 119 I N 1.312 121.958 120.570 0.127 0.000 2.500 119 I HA 0.028 4.198 4.170 0.001 0.000 0.252 119 I C 2.512 178.670 176.117 0.069 0.000 1.142 119 I CA 0.461 61.809 61.300 0.079 0.000 1.451 119 I CB -1.162 36.886 38.000 0.079 0.000 1.093 119 I HN 0.181 nan 8.210 nan 0.000 0.430 120 V N 0.475 120.413 119.914 0.040 0.000 2.323 120 V HA -0.156 3.964 4.120 0.001 0.000 0.244 120 V C 2.560 178.646 176.094 -0.013 0.000 1.041 120 V CA 1.182 63.479 62.300 -0.005 0.000 1.025 120 V CB -0.479 31.260 31.823 -0.140 0.000 0.656 120 V HN 0.246 nan 8.190 nan 0.000 0.451 121 V N -0.288 119.606 119.914 -0.033 0.000 2.970 121 V HA -0.181 3.940 4.120 0.001 0.000 0.260 121 V C 2.400 178.535 176.094 0.069 0.000 1.100 121 V CA 2.042 64.346 62.300 0.007 0.000 1.122 121 V CB -0.318 31.501 31.823 -0.006 0.000 0.721 121 V HN 0.544 nan 8.190 nan 0.000 0.483 122 K N -0.470 119.969 120.400 0.065 0.000 2.103 122 K HA -0.030 4.290 4.320 0.001 0.000 0.204 122 K C 1.976 178.614 176.600 0.063 0.000 1.052 122 K CA 1.327 57.647 56.287 0.055 0.000 0.945 122 K CB -0.350 32.176 32.500 0.042 0.000 0.722 122 K HN 0.540 nan 8.250 nan 0.000 0.443 123 G N -0.859 108.005 108.800 0.106 0.000 2.453 123 G HA2 -0.161 3.799 3.960 0.001 0.000 0.215 123 G HA3 -0.161 3.799 3.960 0.001 0.000 0.215 123 G C 1.174 176.111 174.900 0.062 0.000 1.147 123 G CA 0.180 45.337 45.100 0.095 0.000 0.802 123 G HN 0.266 nan 8.290 nan 0.000 0.535 124 Y N 0.311 120.574 120.300 -0.062 0.000 2.224 124 Y HA -0.127 4.424 4.550 0.001 0.000 0.289 124 Y C 3.108 178.825 175.900 -0.304 0.000 1.146 124 Y CA 1.583 59.607 58.100 -0.127 0.000 1.182 124 Y CB 0.165 38.701 38.460 0.127 0.000 0.983 124 Y HN 0.206 nan 8.280 nan 0.000 0.524 125 Q N -0.179 119.628 119.800 0.012 0.000 2.123 125 Q HA -0.143 4.197 4.340 0.001 0.000 0.199 125 Q C 2.359 178.296 176.000 -0.106 0.000 0.966 125 Q CA 1.039 56.819 55.803 -0.037 0.000 0.845 125 Q CB -0.121 28.629 28.738 0.020 0.000 0.907 125 Q HN 0.480 nan 8.270 nan 0.000 0.439 126 A N 0.497 123.271 122.820 -0.077 0.000 1.969 126 A HA -0.040 4.280 4.320 0.001 0.000 0.218 126 A C 2.144 179.688 177.584 -0.067 0.000 1.169 126 A CA 1.463 53.483 52.037 -0.029 0.000 0.635 126 A CB -0.547 18.474 19.000 0.036 0.000 0.810 126 A HN 0.490 nan 8.150 nan 0.000 0.445 127 A N -0.329 122.334 122.820 -0.262 0.000 1.930 127 A HA 0.325 4.646 4.320 0.001 0.000 0.215 127 A C 2.407 179.665 177.584 -0.544 0.000 1.176 127 A CA 1.538 53.326 52.037 -0.415 0.000 0.632 127 A CB -0.781 17.779 19.000 -0.733 0.000 0.819 127 A HN 0.942 nan 8.150 nan 0.000 0.445 128 A N -0.881 121.542 122.820 -0.661 0.000 2.014 128 A HA -0.140 4.181 4.320 0.001 0.000 0.218 128 A C 2.095 179.597 177.584 -0.136 0.000 1.163 128 A CA 1.580 53.449 52.037 -0.280 0.000 0.652 128 A CB -0.425 18.503 19.000 -0.120 0.000 0.808 128 A HN 0.627 nan 8.150 nan 0.000 0.449 129 Q N -0.860 118.851 119.800 -0.149 0.000 2.172 129 Q HA -0.148 4.193 4.340 0.001 0.000 0.200 129 Q C 1.951 177.866 176.000 -0.140 0.000 0.964 129 Q CA 1.617 57.359 55.803 -0.101 0.000 0.855 129 Q CB 0.007 28.704 28.738 -0.068 0.000 0.918 129 Q HN 0.477 nan 8.270 nan 0.000 0.444 130 K N -0.204 120.055 120.400 -0.235 0.000 2.186 130 K HA 0.094 4.415 4.320 0.001 0.000 0.202 130 K C 1.598 178.042 176.600 -0.261 0.000 1.052 130 K CA 0.998 57.063 56.287 -0.369 0.000 0.965 130 K CB -0.155 31.819 32.500 -0.877 0.000 0.746 130 K HN 0.207 nan 8.250 nan 0.000 0.457 131 A N 0.578 123.292 122.820 -0.175 0.000 1.972 131 A HA -0.147 4.173 4.320 0.001 0.000 0.219 131 A C 1.905 179.460 177.584 -0.049 0.000 1.169 131 A CA 1.252 53.246 52.037 -0.071 0.000 0.635 131 A CB -0.401 18.621 19.000 0.037 0.000 0.810 131 A HN 0.312 nan 8.150 nan 0.000 0.446 132 Q N -0.195 119.574 119.800 -0.053 0.000 2.172 132 Q HA -0.145 4.196 4.340 0.001 0.000 0.200 132 Q C 1.814 177.789 176.000 -0.043 0.000 0.964 132 Q CA 1.571 57.353 55.803 -0.034 0.000 0.855 132 Q CB -0.232 28.490 28.738 -0.026 0.000 0.918 132 Q HN 1.016 nan 8.270 nan 0.000 0.444 133 E N -0.406 119.753 120.200 -0.068 0.000 2.478 133 E HA 0.006 4.356 4.350 0.001 0.000 0.194 133 E C 1.671 178.233 176.600 -0.064 0.000 1.045 133 E CA 0.082 56.444 56.400 -0.063 0.000 0.868 133 E CB 0.017 29.674 29.700 -0.073 0.000 0.885 133 E HN 0.221 nan 8.360 nan 0.000 0.505 134 L N 0.346 121.525 121.223 -0.074 0.000 2.354 134 L HA 0.108 4.448 4.340 0.001 0.000 0.212 134 L C 2.246 179.098 176.870 -0.030 0.000 1.091 134 L CA 0.155 54.961 54.840 -0.058 0.000 0.828 134 L CB 0.051 42.064 42.059 -0.078 0.000 0.973 134 L HN 0.154 nan 8.230 nan 0.000 0.461 135 L N -0.290 120.918 121.223 -0.025 0.000 2.217 135 L HA -0.160 4.180 4.340 0.001 0.000 0.211 135 L C 2.373 179.239 176.870 -0.008 0.000 1.107 135 L CA 1.143 55.977 54.840 -0.011 0.000 0.783 135 L CB -0.205 41.850 42.059 -0.007 0.000 0.919 135 L HN 0.188 nan 8.230 nan 0.000 0.442 136 K N -0.634 119.758 120.400 -0.013 0.000 2.155 136 K HA -0.114 4.206 4.320 0.001 0.000 0.203 136 K C 2.079 178.675 176.600 -0.007 0.000 1.052 136 K CA 1.786 58.067 56.287 -0.010 0.000 0.948 136 K CB -0.169 32.323 32.500 -0.013 0.000 0.728 136 K HN 0.436 nan 8.250 nan 0.000 0.448 137 T N -0.102 114.447 114.554 -0.009 0.000 2.942 137 T HA -0.045 4.306 4.350 0.001 0.000 0.265 137 T C 1.932 176.632 174.700 0.001 0.000 1.062 137 T CA 0.794 62.891 62.100 -0.005 0.000 1.139 137 T CB -0.447 68.416 68.868 -0.007 0.000 0.883 137 T HN 0.361 nan 8.240 nan 0.000 0.468 138 I N -0.358 120.215 120.570 0.004 0.000 3.578 138 I HA 0.541 4.712 4.170 0.001 0.000 0.295 138 I C 1.131 177.255 176.117 0.011 0.000 1.280 138 I CA -0.757 60.550 61.300 0.012 0.000 1.347 138 I CB -0.435 37.578 38.000 0.022 0.000 1.051 138 I HN 0.140 nan 8.210 nan 0.000 0.460 139 A N 1.147 123.970 122.820 0.006 0.000 2.401 139 A HA 0.435 4.755 4.320 0.001 0.000 0.259 139 A C -0.010 177.577 177.584 0.005 0.000 1.103 139 A CA -0.310 51.730 52.037 0.006 0.000 0.789 139 A CB -0.003 18.999 19.000 0.003 0.000 1.035 139 A HN 0.521 nan 8.150 nan 0.000 0.491 140 C N 2.304 121.607 119.300 0.006 0.000 2.388 140 C HA 0.463 4.923 4.460 0.001 0.000 0.362 140 C C 0.261 175.253 174.990 0.003 0.000 1.266 140 C CA -0.744 58.276 59.018 0.004 0.000 2.028 140 C CB 0.208 27.951 27.740 0.005 0.000 2.440 140 C HN 0.786 nan 8.230 nan 0.000 0.547 141 E N 1.852 122.053 120.200 0.002 0.000 2.194 141 E HA 0.187 4.538 4.350 0.001 0.000 0.284 141 E C -0.556 176.045 176.600 0.002 0.000 1.035 141 E CA -0.102 56.299 56.400 0.002 0.000 0.836 141 E CB 1.337 31.037 29.700 0.001 0.000 1.070 141 E HN 0.444 nan 8.360 nan 0.000 0.401 142 V N 2.853 122.768 119.914 0.002 0.000 2.370 142 V HA 0.148 4.268 4.120 0.001 0.000 0.279 142 V C 0.821 176.916 176.094 0.001 0.000 1.280 142 V CA -0.393 61.908 62.300 0.002 0.000 1.392 142 V CB 0.154 31.978 31.823 0.002 0.000 1.464 142 V HN 0.849 nan 8.190 nan 0.000 0.525 143 G N 2.622 111.423 108.800 0.002 0.000 2.900 143 G HA2 -0.098 3.863 3.960 0.001 0.000 0.335 143 G HA3 -0.098 3.863 3.960 0.001 0.000 0.335 143 G C 1.231 176.132 174.900 0.002 0.000 0.194 143 G CA 0.439 45.541 45.100 0.002 0.000 1.227 143 G HN 0.971 nan 8.290 nan 0.000 0.354 144 A N 2.439 125.261 122.820 0.002 0.000 2.042 144 A HA -0.173 4.148 4.320 0.001 0.000 0.222 144 A C 2.046 179.631 177.584 0.002 0.000 1.167 144 A CA 2.139 54.177 52.037 0.002 0.000 0.649 144 A CB -0.035 18.966 19.000 0.003 0.000 0.809 144 A HN 0.762 nan 8.150 nan 0.000 0.457 145 Q N -0.874 118.928 119.800 0.003 0.000 2.157 145 Q HA 0.075 4.415 4.340 0.001 0.000 0.229 145 Q C -0.766 175.236 176.000 0.002 0.000 0.827 145 Q CA -0.325 55.480 55.803 0.003 0.000 1.055 145 Q CB 0.519 29.260 28.738 0.005 0.000 1.157 145 Q HN 0.440 nan 8.270 nan 0.000 0.482 146 D N 1.403 121.804 120.400 0.002 0.000 2.455 146 D HA 0.020 4.660 4.640 0.001 0.000 0.234 146 D C 0.538 176.839 176.300 0.001 0.000 1.224 146 D CA 0.296 54.296 54.000 0.001 0.000 0.999 146 D CB 0.531 41.332 40.800 0.001 0.000 1.072 146 D HN 0.116 nan 8.370 nan 0.000 0.514 147 K N 1.539 121.939 120.400 0.001 0.000 2.211 147 K HA -0.157 4.164 4.320 0.001 0.000 0.203 147 K C 1.793 178.392 176.600 -0.001 0.000 1.050 147 K CA 0.862 57.149 56.287 -0.000 0.000 0.945 147 K CB 0.272 32.772 32.500 -0.000 0.000 0.732 147 K HN 0.514 nan 8.250 nan 0.000 0.451 148 E N 0.869 121.069 120.200 -0.000 0.000 2.152 148 E HA -0.143 4.207 4.350 0.001 0.000 0.192 148 E C 1.753 178.353 176.600 -0.001 0.000 0.983 148 E CA 0.959 57.358 56.400 -0.001 0.000 0.818 148 E CB -0.222 29.478 29.700 -0.001 0.000 0.758 148 E HN 0.272 nan 8.360 nan 0.000 0.467 149 I N 0.780 121.350 120.570 -0.000 0.000 2.480 149 I HA -0.126 4.045 4.170 0.001 0.000 0.251 149 I C 2.307 178.424 176.117 0.000 0.000 1.124 149 I CA 0.471 61.772 61.300 0.000 0.000 1.444 149 I CB -0.095 37.906 38.000 0.001 0.000 1.098 149 I HN 0.082 nan 8.210 nan 0.000 0.428 150 L N 0.358 121.581 121.223 -0.000 0.000 2.131 150 L HA -0.184 4.156 4.340 0.001 0.000 0.210 150 L C 2.546 179.415 176.870 -0.001 0.000 1.092 150 L CA 1.383 56.223 54.840 -0.001 0.000 0.759 150 L CB -0.858 41.200 42.059 -0.002 0.000 0.903 150 L HN 0.263 nan 8.230 nan 0.000 0.435 151 T N -0.727 113.826 114.554 -0.002 0.000 2.821 151 T HA -0.156 4.194 4.350 0.001 0.000 0.267 151 T C 1.897 176.596 174.700 -0.002 0.000 1.046 151 T CA 1.102 63.201 62.100 -0.002 0.000 1.139 151 T CB -0.040 68.827 68.868 -0.003 0.000 0.871 151 T HN 0.299 nan 8.240 nan 0.000 0.454 152 K N 0.624 121.023 120.400 -0.001 0.000 2.097 152 K HA 0.070 4.390 4.320 0.001 0.000 0.205 152 K C 2.167 178.769 176.600 0.003 0.000 1.050 152 K CA 1.013 57.301 56.287 0.001 0.000 0.938 152 K CB -0.289 32.211 32.500 0.001 0.000 0.718 152 K HN 0.317 nan 8.250 nan 0.000 0.442 153 I N 1.030 121.602 120.570 0.003 0.000 2.252 153 I HA -0.259 3.911 4.170 0.001 0.000 0.245 153 I C 2.476 178.595 176.117 0.004 0.000 1.102 153 I CA 1.119 62.422 61.300 0.004 0.000 1.385 153 I CB -0.320 37.682 38.000 0.003 0.000 1.064 153 I HN 0.127 nan 8.210 nan 0.000 0.414 154 A N 0.126 122.947 122.820 0.001 0.000 1.930 154 A HA -0.219 4.102 4.320 0.001 0.000 0.217 154 A C 2.286 179.871 177.584 0.002 0.000 1.175 154 A CA 1.635 53.672 52.037 0.001 0.000 0.627 154 A CB -0.544 18.455 19.000 -0.002 0.000 0.815 154 A HN 0.369 nan 8.150 nan 0.000 0.443 155 M N -0.191 119.410 119.600 0.001 0.000 2.175 155 M HA -0.090 4.390 4.480 0.001 0.000 0.264 155 M C 1.919 178.223 176.300 0.006 0.000 1.063 155 M CA 2.158 57.459 55.300 0.000 0.000 1.119 155 M CB -0.451 32.148 32.600 -0.003 0.000 1.377 155 M HN 0.365 nan 8.290 nan 0.000 0.415 156 T N -1.168 113.391 114.554 0.009 0.000 2.915 156 T HA -0.078 4.273 4.350 0.001 0.000 0.269 156 T C 1.945 176.655 174.700 0.018 0.000 1.071 156 T CA 1.497 63.606 62.100 0.016 0.000 1.132 156 T CB -0.320 68.558 68.868 0.016 0.000 0.878 156 T HN 0.449 nan 8.240 nan 0.000 0.479 157 S N 0.590 116.297 115.700 0.012 0.000 2.377 157 S HA 0.057 4.527 4.470 0.001 0.000 0.223 157 S C 1.978 176.585 174.600 0.013 0.000 1.030 157 S CA 0.439 58.646 58.200 0.011 0.000 0.970 157 S CB -0.353 62.851 63.200 0.007 0.000 0.830 157 S HN 0.466 nan 8.310 nan 0.000 0.473 158 I N 1.260 121.836 120.570 0.011 0.000 2.315 158 I HA -0.071 4.100 4.170 0.001 0.000 0.248 158 I C 0.831 176.958 176.117 0.018 0.000 1.117 158 I CA 0.566 61.873 61.300 0.011 0.000 1.404 158 I CB -0.749 37.254 38.000 0.005 0.000 1.071 158 I HN 0.183 nan 8.210 nan 0.000 0.419 159 T N 0.975 115.542 114.554 0.021 0.000 2.930 159 T HA 0.352 4.702 4.350 0.001 0.000 0.306 159 T C 1.049 175.778 174.700 0.048 0.000 1.045 159 T CA 0.640 62.762 62.100 0.037 0.000 1.134 159 T CB 1.219 70.111 68.868 0.039 0.000 0.961 159 T HN 0.641 nan 8.240 nan 0.000 0.545 160 G N 2.474 111.314 108.800 0.067 0.000 2.376 160 G HA2 -0.223 3.738 3.960 0.001 0.000 0.208 160 G HA3 -0.223 3.738 3.960 0.001 0.000 0.208 160 G C 0.931 175.857 174.900 0.044 0.000 1.032 160 G CA 0.130 45.263 45.100 0.056 0.000 0.641 160 G HN 0.619 nan 8.290 nan 0.000 0.503 161 K N 0.704 121.127 120.400 0.037 0.000 2.356 161 K HA 0.472 4.792 4.320 0.001 0.000 0.195 161 K C 0.917 177.539 176.600 0.036 0.000 1.037 161 K CA 0.765 57.070 56.287 0.031 0.000 1.014 161 K CB 0.814 33.327 32.500 0.022 0.000 0.815 161 K HN 1.042 nan 8.250 nan 0.000 0.507 162 G N -0.299 108.527 108.800 0.044 0.000 2.341 162 G HA2 0.298 4.258 3.960 0.001 0.000 0.300 162 G HA3 0.298 4.258 3.960 0.001 0.000 0.300 162 G C -0.149 174.771 174.900 0.032 0.000 1.706 162 G CA -0.317 44.809 45.100 0.044 0.000 0.916 162 G HN -0.033 nan 8.290 nan 0.000 0.716 163 A N 1.160 123.997 122.820 0.030 0.000 1.968 163 A HA 0.126 4.446 4.320 0.001 0.000 0.217 163 A C 2.096 179.660 177.584 -0.034 0.000 1.169 163 A CA 2.006 54.026 52.037 -0.028 0.000 0.638 163 A CB -0.188 18.751 19.000 -0.100 0.000 0.812 163 A HN 0.914 nan 8.150 nan 0.000 0.446 164 E N 1.105 121.297 120.200 -0.014 0.000 2.208 164 E HA -0.170 4.181 4.350 0.001 0.000 0.193 164 E C 1.424 178.020 176.600 -0.007 0.000 0.988 164 E CA 1.332 57.725 56.400 -0.012 0.000 0.828 164 E CB -0.405 29.294 29.700 -0.002 0.000 0.763 164 E HN 0.628 nan 8.360 nan 0.000 0.478 165 K N 0.843 121.243 120.400 0.000 0.000 2.155 165 K HA 0.114 4.435 4.320 0.001 0.000 0.203 165 K C 0.983 177.581 176.600 -0.003 0.000 1.052 165 K CA 0.865 57.153 56.287 0.002 0.000 0.948 165 K CB 0.053 32.558 32.500 0.009 0.000 0.728 165 K HN 0.117 nan 8.250 nan 0.000 0.448 166 A N 2.701 125.516 122.820 -0.009 0.000 2.805 166 A HA 0.097 4.417 4.320 0.001 0.000 0.301 166 A C -0.382 177.189 177.584 -0.021 0.000 1.557 166 A CA 0.006 52.034 52.037 -0.014 0.000 1.254 166 A CB -0.275 18.714 19.000 -0.018 0.000 1.114 166 A HN 0.073 nan 8.150 nan 0.000 0.553 167 K N 1.306 121.697 120.400 -0.015 0.000 2.207 167 K HA 0.262 4.583 4.320 0.001 0.000 0.255 167 K C 0.485 177.077 176.600 -0.013 0.000 0.941 167 K CA -0.723 55.554 56.287 -0.016 0.000 0.825 167 K CB 0.978 33.471 32.500 -0.012 0.000 1.119 167 K HN 0.539 nan 8.250 nan 0.000 0.430 168 E N 2.168 122.360 120.200 -0.015 0.000 2.130 168 E HA -0.226 4.124 4.350 0.001 0.000 0.196 168 E C 0.856 177.451 176.600 -0.008 0.000 0.998 168 E CA 1.709 58.102 56.400 -0.012 0.000 0.806 168 E CB 0.245 29.937 29.700 -0.012 0.000 0.738 168 E HN 0.508 nan 8.360 nan 0.000 0.459 169 K N 0.082 120.478 120.400 -0.007 0.000 2.155 169 K HA -0.105 4.215 4.320 0.001 0.000 0.203 169 K C 2.218 178.816 176.600 -0.003 0.000 1.052 169 K CA 0.413 56.697 56.287 -0.004 0.000 0.948 169 K CB -0.109 32.389 32.500 -0.003 0.000 0.728 169 K HN 0.013 nan 8.250 nan 0.000 0.448 170 L N 1.040 122.260 121.223 -0.004 0.000 2.056 170 L HA -0.078 4.263 4.340 0.001 0.000 0.207 170 L C 2.188 179.056 176.870 -0.004 0.000 1.078 170 L CA 1.518 56.356 54.840 -0.003 0.000 0.749 170 L CB -0.439 41.618 42.059 -0.003 0.000 0.901 170 L HN 0.084 nan 8.230 nan 0.000 0.433 171 A N -1.059 121.759 122.820 -0.005 0.000 2.015 171 A HA -0.174 4.146 4.320 0.001 0.000 0.219 171 A C 2.121 179.703 177.584 -0.004 0.000 1.163 171 A CA 1.537 53.571 52.037 -0.004 0.000 0.646 171 A CB -0.516 18.481 19.000 -0.005 0.000 0.806 171 A HN 0.598 nan 8.150 nan 0.000 0.448 172 E N -0.409 119.788 120.200 -0.004 0.000 2.208 172 E HA -0.074 4.276 4.350 0.001 0.000 0.193 172 E C 1.675 178.273 176.600 -0.004 0.000 0.988 172 E CA 0.871 57.269 56.400 -0.004 0.000 0.828 172 E CB -0.191 29.507 29.700 -0.003 0.000 0.763 172 E HN 0.720 nan 8.360 nan 0.000 0.478 173 I N 0.718 121.286 120.570 -0.004 0.000 2.286 173 I HA -0.218 3.953 4.170 0.001 0.000 0.245 173 I C 2.186 178.298 176.117 -0.008 0.000 1.104 173 I CA 0.894 62.191 61.300 -0.005 0.000 1.397 173 I CB -0.104 37.895 38.000 -0.003 0.000 1.072 173 I HN 0.067 nan 8.210 nan 0.000 0.417 174 I N -0.016 120.550 120.570 -0.008 0.000 2.252 174 I HA -0.222 3.948 4.170 0.001 0.000 0.245 174 I C 2.475 178.585 176.117 -0.011 0.000 1.102 174 I CA 1.030 62.324 61.300 -0.010 0.000 1.385 174 I CB -0.436 37.559 38.000 -0.008 0.000 1.064 174 I HN -0.002 nan 8.210 nan 0.000 0.414 175 V N 0.672 120.580 119.914 -0.009 0.000 2.407 175 V HA -0.294 3.826 4.120 0.001 0.000 0.248 175 V C 2.479 178.566 176.094 -0.012 0.000 1.055 175 V CA 2.041 64.335 62.300 -0.009 0.000 1.049 175 V CB -0.673 31.147 31.823 -0.006 0.000 0.662 175 V HN 0.475 nan 8.190 nan 0.000 0.455 176 E N -0.013 120.180 120.200 -0.012 0.000 2.153 176 E HA -0.189 4.161 4.350 0.001 0.000 0.194 176 E C 2.220 178.805 176.600 -0.024 0.000 0.988 176 E CA 1.172 57.563 56.400 -0.015 0.000 0.811 176 E CB -0.138 29.555 29.700 -0.011 0.000 0.746 176 E HN 0.606 nan 8.360 nan 0.000 0.466 177 A N 0.120 122.926 122.820 -0.024 0.000 1.897 177 A HA -0.075 4.245 4.320 0.001 0.000 0.215 177 A C 2.304 179.867 177.584 -0.035 0.000 1.181 177 A CA 1.008 53.026 52.037 -0.032 0.000 0.620 177 A CB -0.317 18.666 19.000 -0.028 0.000 0.821 177 A HN 0.189 nan 8.150 nan 0.000 0.443 178 V N -0.082 119.816 119.914 -0.027 0.000 2.453 178 V HA -0.152 3.968 4.120 0.001 0.000 0.247 178 V C 2.567 178.645 176.094 -0.027 0.000 1.048 178 V CA 2.132 64.418 62.300 -0.025 0.000 1.049 178 V CB -0.703 31.110 31.823 -0.017 0.000 0.672 178 V HN 0.504 nan 8.190 nan 0.000 0.457 179 S N 0.273 115.959 115.700 -0.025 0.000 2.474 179 S HA -0.002 4.469 4.470 0.001 0.000 0.235 179 S C 2.059 176.636 174.600 -0.038 0.000 0.997 179 S CA 1.098 59.284 58.200 -0.023 0.000 0.949 179 S CB -0.188 63.003 63.200 -0.015 0.000 0.766 179 S HN 0.640 nan 8.310 nan 0.000 0.517 180 A N 1.131 123.916 122.820 -0.059 0.000 1.943 180 A HA 0.094 4.414 4.320 0.001 0.000 0.213 180 A C 2.052 179.563 177.584 -0.122 0.000 1.181 180 A CA 0.966 52.938 52.037 -0.109 0.000 0.653 180 A CB -0.479 18.453 19.000 -0.114 0.000 0.833 180 A HN 0.504 nan 8.150 nan 0.000 0.451 181 V N -1.911 117.956 119.914 -0.078 0.000 3.630 181 V HA 0.191 4.311 4.120 0.001 0.000 0.273 181 V C 0.477 176.547 176.094 -0.041 0.000 1.248 181 V CA -0.170 62.092 62.300 -0.064 0.000 1.170 181 V CB -1.044 30.750 31.823 -0.049 0.000 0.899 181 V HN 0.068 nan 8.190 nan 0.000 0.457 182 V N 4.322 124.215 119.914 -0.034 0.000 2.446 182 V HA 0.135 4.256 4.120 0.001 0.000 0.276 182 V C 0.302 176.396 176.094 0.001 0.000 1.030 182 V CA -0.271 62.021 62.300 -0.013 0.000 1.033 182 V CB 0.322 32.142 31.823 -0.006 0.000 0.993 182 V HN 0.723 nan 8.190 nan 0.000 0.477 183 D N 4.280 124.683 120.400 0.004 0.000 2.352 183 D HA 0.083 4.723 4.640 0.001 0.000 0.245 183 D C -0.441 175.871 176.300 0.019 0.000 1.224 183 D CA -0.573 53.437 54.000 0.017 0.000 0.879 183 D CB 0.906 41.713 40.800 0.011 0.000 1.057 183 D HN 0.392 nan 8.370 nan 0.000 0.491 184 D N 2.787 123.205 120.400 0.031 0.000 2.383 184 D HA 0.132 4.772 4.640 0.001 0.000 0.252 184 D C 0.082 176.393 176.300 0.018 0.000 1.166 184 D CA 0.384 54.399 54.000 0.025 0.000 0.879 184 D CB 1.194 42.015 40.800 0.034 0.000 1.164 184 D HN 0.467 nan 8.370 nan 0.000 0.462 185 E N 0.180 120.388 120.200 0.013 0.000 2.234 185 E HA 0.607 4.958 4.350 0.001 0.000 0.266 185 E C 0.088 176.692 176.600 0.007 0.000 0.877 185 E CA -0.885 55.521 56.400 0.011 0.000 0.758 185 E CB 2.180 31.885 29.700 0.009 0.000 1.170 185 E HN 0.512 nan 8.360 nan 0.000 0.415 186 G N 2.937 111.741 108.800 0.006 0.000 5.602 186 G HA2 0.024 3.985 3.960 0.001 0.000 0.197 186 G HA3 0.024 3.985 3.960 0.001 0.000 0.197 186 G C -0.127 174.776 174.900 0.004 0.000 0.705 186 G CA -0.444 44.660 45.100 0.007 0.000 0.662 186 G HN 0.078 nan 8.290 nan 0.000 0.365 187 K N 0.127 120.528 120.400 0.002 0.000 2.102 187 K HA 0.593 4.913 4.320 0.001 0.000 0.244 187 K C -0.195 176.403 176.600 -0.002 0.000 1.021 187 K CA -0.453 55.834 56.287 -0.000 0.000 0.913 187 K CB 2.137 34.637 32.500 -0.000 0.000 1.062 187 K HN -0.001 nan 8.250 nan 0.000 0.485 188 V N 1.572 121.484 119.914 -0.004 0.000 2.378 188 V HA 0.079 4.199 4.120 0.001 0.000 0.288 188 V C -0.538 175.550 176.094 -0.009 0.000 1.016 188 V CA -0.924 61.371 62.300 -0.008 0.000 0.840 188 V CB 1.465 33.283 31.823 -0.009 0.000 0.994 188 V HN 0.620 nan 8.190 nan 0.000 0.431 189 D N 3.476 123.869 120.400 -0.012 0.000 2.317 189 D HA 0.349 4.989 4.640 0.001 0.000 0.234 189 D C 0.799 177.090 176.300 -0.016 0.000 1.112 189 D CA -0.403 53.589 54.000 -0.012 0.000 0.840 189 D CB 1.760 42.553 40.800 -0.013 0.000 1.078 189 D HN 0.337 nan 8.370 nan 0.000 0.486 190 K N 1.631 122.023 120.400 -0.014 0.000 2.288 190 K HA 0.009 4.330 4.320 0.001 0.000 0.201 190 K C 0.847 177.436 176.600 -0.019 0.000 1.048 190 K CA 0.648 56.926 56.287 -0.016 0.000 0.956 190 K CB 0.282 32.775 32.500 -0.012 0.000 0.746 190 K HN 0.408 nan 8.250 nan 0.000 0.461 191 D N 0.245 120.634 120.400 -0.019 0.000 2.317 191 D HA -0.042 4.599 4.640 0.001 0.000 0.211 191 D C 1.435 177.718 176.300 -0.028 0.000 0.966 191 D CA 0.628 54.615 54.000 -0.022 0.000 0.876 191 D CB 0.156 40.944 40.800 -0.019 0.000 0.927 191 D HN 0.173 nan 8.370 nan 0.000 0.519 192 L N 0.365 121.571 121.223 -0.028 0.000 2.291 192 L HA 0.017 4.357 4.340 0.001 0.000 0.214 192 L C 0.925 177.771 176.870 -0.040 0.000 1.120 192 L CA 0.477 55.296 54.840 -0.034 0.000 0.799 192 L CB -0.038 42.001 42.059 -0.033 0.000 0.925 192 L HN -0.108 nan 8.230 nan 0.000 0.446 193 I N 0.917 121.465 120.570 -0.037 0.000 2.312 193 I HA 0.070 4.241 4.170 0.001 0.000 0.291 193 I C 0.449 176.541 176.117 -0.041 0.000 1.031 193 I CA -0.043 61.233 61.300 -0.039 0.000 1.293 193 I CB 0.736 38.716 38.000 -0.034 0.000 1.403 193 I HN 0.014 nan 8.210 nan 0.000 0.484 194 K N 7.715 128.085 120.400 -0.049 0.000 2.205 194 K HA 0.514 4.835 4.320 0.001 0.000 0.279 194 K C -0.907 175.663 176.600 -0.050 0.000 1.027 194 K CA -0.422 55.833 56.287 -0.053 0.000 0.932 194 K CB 0.931 33.391 32.500 -0.068 0.000 1.032 194 K HN 0.559 nan 8.250 nan 0.000 0.466 195 I N 3.305 123.848 120.570 -0.045 0.000 2.339 195 I HA 0.183 4.353 4.170 0.001 0.000 0.290 195 I C -0.564 175.527 176.117 -0.044 0.000 0.994 195 I CA -0.666 60.610 61.300 -0.040 0.000 1.191 195 I CB 1.755 39.737 38.000 -0.030 0.000 1.343 195 I HN 0.641 nan 8.210 nan 0.000 0.458 196 E N 6.116 126.289 120.200 -0.046 0.000 2.187 196 E HA 0.378 4.728 4.350 0.001 0.000 0.268 196 E C -1.192 175.386 176.600 -0.037 0.000 0.896 196 E CA -0.696 55.675 56.400 -0.048 0.000 0.766 196 E CB 1.266 30.927 29.700 -0.066 0.000 1.142 196 E HN 0.291 nan 8.360 nan 0.000 0.408 197 K N 4.043 124.423 120.400 -0.033 0.000 2.354 197 K HA 0.378 4.699 4.320 0.001 0.000 0.257 197 K C -0.660 175.926 176.600 -0.024 0.000 1.062 197 K CA -0.863 55.407 56.287 -0.027 0.000 0.971 197 K CB 0.826 33.308 32.500 -0.031 0.000 1.305 197 K HN 0.151 nan 8.250 nan 0.000 0.449 198 K N 0.791 121.181 120.400 -0.017 0.000 2.395 198 K HA 0.370 4.690 4.320 0.001 0.000 0.247 198 K C 0.201 176.800 176.600 -0.002 0.000 0.973 198 K CA -0.605 55.677 56.287 -0.009 0.000 0.828 198 K CB 1.830 34.328 32.500 -0.004 0.000 1.272 198 K HN 0.603 nan 8.250 nan 0.000 0.439 199 S N -0.825 114.876 115.700 0.003 0.000 2.566 199 S HA 0.821 5.291 4.470 0.001 0.000 0.277 199 S C 0.330 174.938 174.600 0.014 0.000 1.150 199 S CA 0.107 58.311 58.200 0.006 0.000 1.032 199 S CB 0.632 63.835 63.200 0.005 0.000 1.157 199 S HN 0.990 nan 8.310 nan 0.000 0.507 200 G N -0.922 107.887 108.800 0.015 0.000 2.697 200 G HA2 0.449 4.410 3.960 0.001 0.000 0.686 200 G HA3 0.449 4.410 3.960 0.001 0.000 0.686 200 G C -0.138 174.772 174.900 0.016 0.000 1.179 200 G CA -0.488 44.623 45.100 0.017 0.000 0.765 200 G HN 1.724 nan 8.290 nan 0.000 0.649 201 A N 1.356 124.185 122.820 0.015 0.000 2.526 201 A HA 0.642 4.963 4.320 0.001 0.000 0.287 201 A C 1.150 178.743 177.584 0.014 0.000 1.232 201 A CA 1.853 53.898 52.037 0.014 0.000 0.900 201 A CB -0.038 18.970 19.000 0.012 0.000 1.077 201 A HN 2.254 nan 8.150 nan 0.000 0.535 202 S N 1.721 117.429 115.700 0.014 0.000 4.107 202 S HA 0.546 5.017 4.470 0.001 0.000 0.196 202 S C 1.135 175.741 174.600 0.011 0.000 1.125 202 S CA 0.522 58.730 58.200 0.013 0.000 1.614 202 S CB -0.462 62.747 63.200 0.015 0.000 1.234 202 S HN 1.175 nan 8.310 nan 0.000 0.799 203 I N 0.708 121.284 120.570 0.010 0.000 4.172 203 I HA -0.365 3.806 4.170 0.001 0.000 0.099 203 I C 0.592 176.713 176.117 0.007 0.000 0.511 203 I CA 2.017 63.322 61.300 0.008 0.000 1.179 203 I CB -1.255 36.750 38.000 0.008 0.000 1.046 203 I HN 0.432 nan 8.210 nan 0.000 0.184 204 D N 0.430 120.834 120.400 0.008 0.000 2.355 204 D HA 0.006 4.647 4.640 0.001 0.000 0.206 204 D C 1.203 177.509 176.300 0.010 0.000 1.010 204 D CA 0.821 54.825 54.000 0.007 0.000 0.875 204 D CB -0.099 40.705 40.800 0.005 0.000 0.966 204 D HN 0.430 nan 8.370 nan 0.000 0.512 205 D N 0.294 120.701 120.400 0.013 0.000 2.336 205 D HA -0.025 4.615 4.640 0.001 0.000 0.229 205 D C 0.165 176.478 176.300 0.021 0.000 1.061 205 D CA 0.336 54.347 54.000 0.019 0.000 0.875 205 D CB -0.463 40.350 40.800 0.022 0.000 0.904 205 D HN 0.154 nan 8.370 nan 0.000 0.525 206 T N 0.098 114.661 114.554 0.015 0.000 2.765 206 T HA 0.156 4.507 4.350 0.001 0.000 0.284 206 T C 0.244 174.951 174.700 0.013 0.000 0.946 206 T CA -0.560 61.547 62.100 0.011 0.000 1.185 206 T CB 0.287 69.158 68.868 0.005 0.000 0.887 206 T HN 0.232 nan 8.240 nan 0.000 0.532 207 E N 2.891 123.101 120.200 0.017 0.000 2.207 207 E HA 0.523 4.873 4.350 0.001 0.000 0.270 207 E C -0.830 175.776 176.600 0.010 0.000 0.927 207 E CA -1.389 55.024 56.400 0.022 0.000 0.799 207 E CB 1.351 31.079 29.700 0.047 0.000 1.172 207 E HN 0.482 nan 8.360 nan 0.000 0.404 208 L N 3.550 124.779 121.223 0.010 0.000 2.325 208 L HA 0.316 4.656 4.340 0.001 0.000 0.284 208 L C -1.023 175.848 176.870 0.003 0.000 1.089 208 L CA 0.057 54.897 54.840 -0.001 0.000 0.836 208 L CB 0.083 42.141 42.059 -0.001 0.000 1.184 208 L HN 0.579 nan 8.230 nan 0.000 0.444 209 I N 5.830 126.391 120.570 -0.016 0.000 2.306 209 I HA 0.214 4.385 4.170 0.001 0.000 0.288 209 I C 0.145 176.244 176.117 -0.030 0.000 1.036 209 I CA -0.555 60.731 61.300 -0.022 0.000 1.221 209 I CB 0.549 38.504 38.000 -0.075 0.000 1.385 209 I HN 0.526 nan 8.210 nan 0.000 0.472 210 K N 5.848 126.240 120.400 -0.013 0.000 2.228 210 K HA 0.460 4.780 4.320 0.001 0.000 0.284 210 K C 0.344 176.935 176.600 -0.014 0.000 1.088 210 K CA -0.188 56.088 56.287 -0.018 0.000 0.941 210 K CB 0.650 33.145 32.500 -0.009 0.000 1.158 210 K HN 0.841 nan 8.250 nan 0.000 0.438 211 G N 0.589 109.367 108.800 -0.038 0.000 2.650 211 G HA2 0.446 4.407 3.960 0.001 0.000 0.310 211 G HA3 0.446 4.407 3.960 0.001 0.000 0.310 211 G C -1.492 173.366 174.900 -0.069 0.000 1.270 211 G CA -0.588 44.485 45.100 -0.045 0.000 0.810 211 G HN 0.208 nan 8.290 nan 0.000 0.493 212 V N 0.131 119.991 119.914 -0.090 0.000 2.628 212 V HA 0.618 4.738 4.120 0.001 0.000 0.306 212 V C -0.795 175.202 176.094 -0.162 0.000 1.045 212 V CA -0.656 61.564 62.300 -0.134 0.000 0.905 212 V CB 1.701 33.419 31.823 -0.175 0.000 0.997 212 V HN 0.596 nan 8.190 nan 0.000 0.436 213 L N 4.973 126.079 121.223 -0.195 0.000 2.283 213 L HA 0.509 4.849 4.340 0.001 0.000 0.281 213 L C -0.332 176.440 176.870 -0.162 0.000 1.033 213 L CA 0.082 54.770 54.840 -0.254 0.000 0.848 213 L CB 1.335 43.177 42.059 -0.362 0.000 1.226 213 L HN 0.511 nan 8.230 nan 0.000 0.429 214 V N 3.396 123.251 119.914 -0.098 0.000 2.461 214 V HA 0.105 4.225 4.120 0.001 0.000 0.275 214 V C 0.285 176.383 176.094 0.007 0.000 1.047 214 V CA -0.473 61.809 62.300 -0.031 0.000 0.955 214 V CB 1.328 33.190 31.823 0.064 0.000 0.988 214 V HN 0.609 nan 8.190 nan 0.000 0.471 215 D N 5.107 125.506 120.400 -0.003 0.000 2.688 215 D HA 0.232 4.872 4.640 0.001 0.000 0.228 215 D C 0.086 176.408 176.300 0.037 0.000 1.116 215 D CA 0.465 54.470 54.000 0.008 0.000 1.023 215 D CB -0.182 40.613 40.800 -0.008 0.000 1.100 215 D HN 0.521 nan 8.370 nan 0.000 0.487 216 K N 0.591 121.029 120.400 0.064 0.000 2.556 216 K HA 0.365 4.685 4.320 0.001 0.000 0.289 216 K C -0.533 176.107 176.600 0.067 0.000 1.040 216 K CA -0.665 55.663 56.287 0.069 0.000 0.894 216 K CB 1.755 34.313 32.500 0.097 0.000 1.547 216 K HN 0.096 nan 8.250 nan 0.000 0.417 217 E N 0.371 120.597 120.200 0.045 0.000 2.573 217 E HA 0.355 4.706 4.350 0.001 0.000 0.218 217 E C -0.800 175.798 176.600 -0.002 0.000 0.777 217 E CA -0.980 55.437 56.400 0.029 0.000 0.970 217 E CB 1.106 30.819 29.700 0.022 0.000 1.666 217 E HN 0.414 nan 8.360 nan 0.000 0.384 218 R N 0.472 120.964 120.500 -0.014 0.000 2.404 218 R HA 0.304 4.645 4.340 0.001 0.000 0.291 218 R C 0.645 176.927 176.300 -0.031 0.000 1.025 218 R CA -0.408 55.668 56.100 -0.040 0.000 0.991 218 R CB 1.095 31.372 30.300 -0.038 0.000 1.053 218 R HN 0.301 nan 8.270 nan 0.000 0.479 219 V N 1.218 121.107 119.914 -0.041 0.000 2.626 219 V HA -0.097 4.023 4.120 0.001 0.000 0.252 219 V C 0.359 176.440 176.094 -0.022 0.000 1.067 219 V CA 1.878 64.161 62.300 -0.028 0.000 1.081 219 V CB 0.194 31.998 31.823 -0.030 0.000 0.686 219 V HN 0.867 nan 8.190 nan 0.000 0.468 220 S N -2.069 113.615 115.700 -0.026 0.000 2.547 220 S HA 0.666 5.136 4.470 0.001 0.000 0.281 220 S C 0.605 175.193 174.600 -0.020 0.000 1.118 220 S CA -0.127 58.061 58.200 -0.021 0.000 0.947 220 S CB 1.848 65.034 63.200 -0.023 0.000 1.053 220 S HN 0.438 nan 8.310 nan 0.000 0.482 221 A N 3.009 125.821 122.820 -0.014 0.000 2.168 221 A HA 0.021 4.342 4.320 0.001 0.000 0.215 221 A C 1.773 179.349 177.584 -0.014 0.000 1.152 221 A CA 1.063 53.093 52.037 -0.012 0.000 0.716 221 A CB -0.436 18.560 19.000 -0.007 0.000 0.794 221 A HN 0.869 nan 8.150 nan 0.000 0.465 222 Q N -0.876 118.914 119.800 -0.016 0.000 2.311 222 Q HA 0.078 4.418 4.340 0.001 0.000 0.203 222 Q C 0.502 176.486 176.000 -0.027 0.000 0.954 222 Q CA 0.159 55.950 55.803 -0.020 0.000 0.885 222 Q CB -0.085 28.640 28.738 -0.022 0.000 0.963 222 Q HN 0.695 nan 8.270 nan 0.000 0.471 223 M N 1.630 121.211 119.600 -0.031 0.000 2.240 223 M HA 0.181 4.662 4.480 0.001 0.000 0.333 223 M C -2.028 174.254 176.300 -0.028 0.000 1.110 223 M CA -1.808 53.471 55.300 -0.035 0.000 1.173 223 M CB 0.399 32.972 32.600 -0.043 0.000 1.458 223 M HN -0.070 nan 8.290 nan 0.000 0.458 224 P HA 0.040 nan 4.420 nan 0.000 0.270 224 P C -0.379 176.909 177.300 -0.019 0.000 1.227 224 P CA 0.121 63.208 63.100 -0.021 0.000 0.788 224 P CB 0.663 32.351 31.700 -0.020 0.000 0.926 225 K N 0.233 120.626 120.400 -0.012 0.000 2.306 225 K HA 0.155 4.475 4.320 0.001 0.000 0.200 225 K C 0.334 176.933 176.600 -0.000 0.000 1.083 225 K CA 0.571 56.854 56.287 -0.007 0.000 0.959 225 K CB 0.377 32.872 32.500 -0.007 0.000 0.994 225 K HN 0.156 nan 8.250 nan 0.000 0.492 226 K N 0.966 121.364 120.400 -0.002 0.000 2.471 226 K HA 0.356 4.677 4.320 0.001 0.000 0.252 226 K C -1.773 174.829 176.600 0.004 0.000 0.938 226 K CA -0.754 55.536 56.287 0.004 0.000 0.796 226 K CB 2.119 34.617 32.500 -0.004 0.000 1.161 226 K HN -0.126 nan 8.250 nan 0.000 0.425 227 V N 2.207 122.128 119.914 0.012 0.000 2.735 227 V HA 0.425 4.545 4.120 0.001 0.000 0.310 227 V C -0.444 175.661 176.094 0.018 0.000 1.061 227 V CA -0.892 61.415 62.300 0.011 0.000 0.913 227 V CB 2.074 33.903 31.823 0.010 0.000 1.005 227 V HN 0.835 nan 8.190 nan 0.000 0.428 228 T N 2.226 116.788 114.554 0.014 0.000 2.875 228 T HA 0.390 4.740 4.350 0.001 0.000 0.284 228 T C -0.372 174.339 174.700 0.018 0.000 0.995 228 T CA -0.263 61.847 62.100 0.017 0.000 1.060 228 T CB 0.632 69.507 68.868 0.012 0.000 0.967 228 T HN 0.848 nan 8.240 nan 0.000 0.476 229 D N 0.490 120.904 120.400 0.023 0.000 2.697 229 D HA -0.139 4.501 4.640 0.001 0.000 0.238 229 D C 0.237 176.552 176.300 0.025 0.000 1.152 229 D CA 0.614 54.628 54.000 0.023 0.000 0.666 229 D CB -1.233 39.577 40.800 0.017 0.000 1.037 229 D HN 0.820 nan 8.370 nan 0.000 0.423 230 A N 0.639 123.479 122.820 0.033 0.000 2.388 230 A HA 0.421 4.741 4.320 0.001 0.000 0.257 230 A C 0.510 178.118 177.584 0.040 0.000 1.095 230 A CA -0.185 51.874 52.037 0.036 0.000 0.791 230 A CB 0.693 19.721 19.000 0.046 0.000 1.029 230 A HN 0.116 nan 8.150 nan 0.000 0.489 231 K N 1.934 122.355 120.400 0.035 0.000 2.293 231 K HA 0.569 4.890 4.320 0.001 0.000 0.267 231 K C -1.115 175.515 176.600 0.050 0.000 1.010 231 K CA 0.247 56.557 56.287 0.038 0.000 0.875 231 K CB 1.381 33.897 32.500 0.027 0.000 1.106 231 K HN 0.533 nan 8.250 nan 0.000 0.450 232 I N 2.455 123.067 120.570 0.071 0.000 2.330 232 I HA 0.343 4.513 4.170 0.001 0.000 0.289 232 I C -0.203 175.974 176.117 0.099 0.000 1.001 232 I CA -0.936 60.430 61.300 0.110 0.000 1.193 232 I CB 1.704 39.810 38.000 0.177 0.000 1.345 232 I HN 0.621 nan 8.210 nan 0.000 0.461 233 A N 7.629 130.503 122.820 0.089 0.000 2.279 233 A HA 0.610 4.930 4.320 0.001 0.000 0.306 233 A C -0.566 177.083 177.584 0.108 0.000 1.300 233 A CA -0.398 51.684 52.037 0.075 0.000 0.925 233 A CB 0.112 19.140 19.000 0.047 0.000 1.152 233 A HN 0.614 nan 8.150 nan 0.000 0.544 234 L N 3.682 124.963 121.223 0.097 0.000 2.268 234 L HA 0.328 4.669 4.340 0.001 0.000 0.289 234 L C -0.239 176.673 176.870 0.071 0.000 1.064 234 L CA 0.584 55.485 54.840 0.103 0.000 0.824 234 L CB 0.624 42.722 42.059 0.064 0.000 1.202 234 L HN 0.603 nan 8.230 nan 0.000 0.433 235 L N 3.281 124.551 121.223 0.078 0.000 2.282 235 L HA 0.375 4.716 4.340 0.001 0.000 0.288 235 L C 0.990 177.890 176.870 0.050 0.000 1.033 235 L CA -0.381 54.491 54.840 0.053 0.000 0.807 235 L CB 1.493 43.580 42.059 0.046 0.000 1.209 235 L HN 0.521 nan 8.230 nan 0.000 0.423 236 N N 1.023 119.744 118.700 0.035 0.000 2.402 236 N HA -0.034 4.707 4.740 0.001 0.000 0.174 236 N C 0.403 175.929 175.510 0.026 0.000 1.027 236 N CA 0.117 53.184 53.050 0.029 0.000 0.891 236 N CB 0.297 38.796 38.487 0.020 0.000 1.016 236 N HN 0.581 nan 8.380 nan 0.000 0.439 237 C N 1.179 120.493 119.300 0.025 0.000 2.604 237 C HA 0.718 5.178 4.460 0.001 0.000 0.396 237 C C 0.589 175.594 174.990 0.024 0.000 1.282 237 C CA -0.813 58.218 59.018 0.022 0.000 2.292 237 C CB -0.647 27.105 27.740 0.019 0.000 2.633 237 C HN 0.484 nan 8.230 nan 0.000 0.620 238 A N 4.896 127.729 122.820 0.022 0.000 2.363 238 A HA 0.562 4.882 4.320 0.001 0.000 0.270 238 A C 0.050 177.649 177.584 0.024 0.000 1.121 238 A CA -0.383 51.667 52.037 0.023 0.000 0.800 238 A CB 0.047 19.059 19.000 0.020 0.000 1.052 238 A HN 0.834 nan 8.150 nan 0.000 0.493 239 I N 2.582 123.168 120.570 0.026 0.000 2.320 239 I HA 0.138 4.309 4.170 0.001 0.000 0.283 239 I C 0.542 176.680 176.117 0.033 0.000 1.086 239 I CA 0.286 61.604 61.300 0.030 0.000 1.539 239 I CB -0.625 37.395 38.000 0.033 0.000 1.504 239 I HN 0.692 nan 8.210 nan 0.000 0.661 264 T N -3.871 110.700 114.554 0.027 0.000 2.206 264 T HA 0.747 5.097 4.350 0.001 0.000 0.168 264 T C 1.065 175.778 174.700 0.021 0.000 0.753 264 T CA 1.617 63.730 62.100 0.021 0.000 1.041 264 T CB 0.536 69.416 68.868 0.019 0.000 2.919 264 T HN 1.981 nan 8.240 nan 0.000 0.392 265 A N 0.029 122.864 122.820 0.024 0.000 2.519 265 A HA 0.670 4.990 4.320 0.001 0.000 0.236 265 A C 0.458 178.061 177.584 0.031 0.000 0.875 265 A CA 0.174 52.224 52.037 0.022 0.000 1.172 265 A CB 0.210 19.216 19.000 0.010 0.000 1.211 265 A HN 0.559 nan 8.150 nan 0.000 0.454 266 S N 1.777 117.502 115.700 0.042 0.000 2.399 266 S HA 0.314 4.785 4.470 0.001 0.000 0.198 266 S C 0.244 174.879 174.600 0.058 0.000 1.294 266 S CA 0.383 58.609 58.200 0.043 0.000 1.237 266 S CB -0.673 62.543 63.200 0.026 0.000 1.286 266 S HN 0.830 nan 8.310 nan 0.000 0.404 267 E N 0.859 121.123 120.200 0.107 0.000 2.103 267 E HA -0.248 4.102 4.350 0.001 0.000 0.186 267 E C 0.157 176.786 176.600 0.048 0.000 1.392 267 E CA 0.753 57.237 56.400 0.140 0.000 0.691 267 E CB -1.630 28.140 29.700 0.116 0.000 1.068 267 E HN 0.698 nan 8.360 nan 0.000 0.328 268 M N 0.438 120.074 119.600 0.060 0.000 2.563 268 M HA 0.066 4.546 4.480 0.001 0.000 0.231 268 M C 0.609 176.926 176.300 0.028 0.000 1.136 268 M CA 0.080 55.397 55.300 0.028 0.000 1.026 268 M CB 0.286 32.903 32.600 0.029 0.000 1.597 268 M HN 0.304 nan 8.290 nan 0.000 0.495 269 L N -1.015 120.240 121.223 0.052 0.000 2.731 269 L HA 0.157 4.498 4.340 0.001 0.000 0.240 269 L C 1.693 178.555 176.870 -0.013 0.000 1.120 269 L CA 0.628 55.506 54.840 0.064 0.000 0.913 269 L CB -0.839 41.317 42.059 0.162 0.000 1.213 269 L HN 0.230 nan 8.230 nan 0.000 0.515 270 K N 0.528 120.831 120.400 -0.161 0.000 2.211 270 K HA -0.169 4.152 4.320 0.001 0.000 0.204 270 K C 1.245 177.758 176.600 -0.145 0.000 1.047 270 K CA 1.331 57.436 56.287 -0.304 0.000 0.935 270 K CB 0.212 32.464 32.500 -0.414 0.000 0.728 270 K HN 0.269 nan 8.250 nan 0.000 0.452 271 D N 0.545 120.895 120.400 -0.083 0.000 2.120 271 D HA -0.067 4.573 4.640 0.001 0.000 0.202 271 D C 1.843 178.127 176.300 -0.027 0.000 0.972 271 D CA 1.102 55.073 54.000 -0.048 0.000 0.837 271 D CB -0.054 40.727 40.800 -0.032 0.000 0.989 271 D HN 0.122 nan 8.370 nan 0.000 0.469 272 M N 0.198 119.790 119.600 -0.012 0.000 2.159 272 M HA -0.113 4.367 4.480 0.001 0.000 0.263 272 M C 2.139 178.445 176.300 0.009 0.000 1.063 272 M CA 0.835 56.139 55.300 0.006 0.000 1.110 272 M CB 0.031 32.644 32.600 0.021 0.000 1.374 272 M HN -0.099 nan 8.290 nan 0.000 0.411 273 V N 0.089 120.009 119.914 0.010 0.000 2.379 273 V HA -0.179 3.941 4.120 0.001 0.000 0.245 273 V C 2.546 178.638 176.094 -0.003 0.000 1.044 273 V CA 1.872 64.183 62.300 0.018 0.000 1.036 273 V CB -1.069 30.784 31.823 0.050 0.000 0.664 273 V HN 0.497 nan 8.190 nan 0.000 0.453 274 A N -0.509 122.296 122.820 -0.024 0.000 2.014 274 A HA -0.183 4.138 4.320 0.001 0.000 0.218 274 A C 2.136 179.711 177.584 -0.015 0.000 1.163 274 A CA 1.502 53.523 52.037 -0.026 0.000 0.652 274 A CB -0.374 18.600 19.000 -0.042 0.000 0.808 274 A HN 0.607 nan 8.150 nan 0.000 0.449 275 E N -0.378 119.816 120.200 -0.010 0.000 2.152 275 E HA -0.083 4.268 4.350 0.001 0.000 0.192 275 E C 1.663 178.264 176.600 0.001 0.000 0.983 275 E CA 0.984 57.381 56.400 -0.004 0.000 0.818 275 E CB -0.183 29.516 29.700 -0.002 0.000 0.758 275 E HN 0.727 nan 8.360 nan 0.000 0.467 276 I N 0.870 121.442 120.570 0.003 0.000 2.353 276 I HA -0.195 3.975 4.170 0.001 0.000 0.248 276 I C 2.458 178.577 176.117 0.003 0.000 1.119 276 I CA 0.844 62.148 61.300 0.006 0.000 1.417 276 I CB -0.073 37.932 38.000 0.009 0.000 1.078 276 I HN -0.047 nan 8.210 nan 0.000 0.421 277 K N 1.392 121.792 120.400 -0.001 0.000 2.217 277 K HA -0.088 4.232 4.320 0.001 0.000 0.202 277 K C 2.195 178.793 176.600 -0.003 0.000 1.051 277 K CA 1.086 57.371 56.287 -0.003 0.000 0.952 277 K CB 0.021 32.517 32.500 -0.007 0.000 0.736 277 K HN 0.284 nan 8.250 nan 0.000 0.453 278 A N 1.106 123.924 122.820 -0.003 0.000 1.902 278 A HA -0.184 4.136 4.320 0.001 0.000 0.217 278 A C 2.129 179.713 177.584 0.001 0.000 1.181 278 A CA 2.224 54.259 52.037 -0.003 0.000 0.623 278 A CB -0.699 18.299 19.000 -0.004 0.000 0.818 278 A HN 0.536 nan 8.150 nan 0.000 0.443 279 S N -1.310 114.392 115.700 0.003 0.000 2.345 279 S HA 0.285 4.755 4.470 0.001 0.000 0.220 279 S C 1.433 176.037 174.600 0.007 0.000 1.031 279 S CA 1.414 59.618 58.200 0.006 0.000 0.996 279 S CB -0.827 62.379 63.200 0.010 0.000 0.882 279 S HN 2.086 nan 8.310 nan 0.000 0.445 280 G N 0.609 109.413 108.800 0.006 0.000 2.455 280 G HA2 0.298 4.258 3.960 0.001 0.000 0.169 280 G HA3 0.298 4.258 3.960 0.001 0.000 0.169 280 G C -0.245 174.660 174.900 0.009 0.000 1.074 280 G CA -0.309 44.794 45.100 0.006 0.000 0.796 280 G HN 1.247 nan 8.290 nan 0.000 0.489 281 A N 0.438 123.263 122.820 0.009 0.000 2.267 281 A HA 0.704 5.024 4.320 0.001 0.000 0.315 281 A C 1.007 178.593 177.584 0.004 0.000 1.297 281 A CA 0.069 52.114 52.037 0.013 0.000 0.865 281 A CB 0.518 19.530 19.000 0.019 0.000 1.165 281 A HN 0.843 nan 8.150 nan 0.000 0.513 282 N N 1.845 120.547 118.700 0.003 0.000 2.446 282 N HA 0.000 4.741 4.740 0.001 0.000 0.179 282 N C -0.099 175.398 175.510 -0.022 0.000 1.054 282 N CA 0.650 53.696 53.050 -0.008 0.000 0.905 282 N CB -0.044 38.441 38.487 -0.003 0.000 0.973 282 N HN 0.262 nan 8.380 nan 0.000 0.448 283 V N 0.975 120.880 119.914 -0.015 0.000 2.495 283 V HA 0.473 4.594 4.120 0.001 0.000 0.298 283 V C -1.024 175.040 176.094 -0.049 0.000 1.031 283 V CA -0.987 61.282 62.300 -0.051 0.000 0.871 283 V CB 1.824 33.642 31.823 -0.008 0.000 0.988 283 V HN 0.148 nan 8.190 nan 0.000 0.432 284 L N 5.242 126.379 121.223 -0.143 0.000 2.406 284 L HA 0.620 4.960 4.340 0.001 0.000 0.270 284 L C -1.357 175.397 176.870 -0.194 0.000 0.982 284 L CA 0.088 54.874 54.840 -0.090 0.000 0.843 284 L CB 1.243 43.267 42.059 -0.058 0.000 1.225 284 L HN 0.489 nan 8.230 nan 0.000 0.412 285 F N 4.839 124.794 119.950 0.009 0.000 2.361 285 F HA 0.414 4.941 4.527 0.001 0.000 0.364 285 F C 0.268 176.072 175.800 0.006 0.000 1.120 285 F CA -0.191 57.813 58.000 0.007 0.000 1.102 285 F CB 1.134 40.136 39.000 0.004 0.000 1.183 285 F HN 0.479 nan 8.300 nan 0.000 0.476 286 C N 5.203 124.595 119.300 0.153 0.000 2.329 286 C HA 0.235 4.696 4.460 0.001 0.000 0.329 286 C C 1.475 176.526 174.990 0.102 0.000 1.275 286 C CA -0.376 58.701 59.018 0.099 0.000 1.726 286 C CB 0.704 28.474 27.740 0.050 0.000 2.291 286 C HN 1.034 nan 8.230 nan 0.000 0.514 287 Q N 2.766 122.612 119.800 0.077 0.000 2.137 287 Q HA 0.018 4.359 4.340 0.001 0.000 0.198 287 Q C 1.100 177.126 176.000 0.043 0.000 0.960 287 Q CA 1.125 56.963 55.803 0.057 0.000 0.847 287 Q CB 0.227 28.988 28.738 0.039 0.000 0.915 287 Q HN 0.663 nan 8.270 nan 0.000 0.448 288 K N -0.399 120.023 120.400 0.037 0.000 2.836 288 K HA 0.330 4.650 4.320 0.001 0.000 0.300 288 K C -0.001 176.616 176.600 0.028 0.000 1.004 288 K CA 0.017 56.321 56.287 0.029 0.000 1.140 288 K CB -0.219 32.296 32.500 0.024 0.000 1.458 288 K HN 0.125 nan 8.250 nan 0.000 0.550 289 G N 0.755 109.568 108.800 0.023 0.000 2.332 289 G HA2 0.516 4.476 3.960 0.001 0.000 0.310 289 G HA3 0.516 4.476 3.960 0.001 0.000 0.310 289 G C -0.301 174.611 174.900 0.020 0.000 1.123 289 G CA -0.567 44.545 45.100 0.020 0.000 0.873 289 G HN 0.298 nan 8.290 nan 0.000 0.460 290 I N 1.970 122.550 120.570 0.017 0.000 2.331 290 I HA 0.165 4.336 4.170 0.001 0.000 0.292 290 I C 0.179 176.306 176.117 0.016 0.000 0.998 290 I CA -0.734 60.576 61.300 0.017 0.000 1.267 290 I CB 1.494 39.501 38.000 0.011 0.000 1.386 290 I HN 0.337 nan 8.210 nan 0.000 0.476 291 D N 4.132 124.545 120.400 0.023 0.000 2.339 291 D HA -0.055 4.585 4.640 0.001 0.000 0.245 291 D C 0.606 176.915 176.300 0.014 0.000 1.115 291 D CA 0.020 54.033 54.000 0.020 0.000 0.917 291 D CB 1.508 42.326 40.800 0.029 0.000 1.192 291 D HN 0.586 nan 8.370 nan 0.000 0.428 292 D N 1.707 122.108 120.400 0.002 0.000 2.178 292 D HA -0.118 4.522 4.640 0.001 0.000 0.201 292 D C 2.057 178.336 176.300 -0.034 0.000 0.980 292 D CA 0.937 54.928 54.000 -0.015 0.000 0.842 292 D CB 0.109 40.896 40.800 -0.022 0.000 0.948 292 D HN 0.384 nan 8.370 nan 0.000 0.472 293 L N -0.134 121.076 121.223 -0.021 0.000 2.056 293 L HA -0.063 4.278 4.340 0.001 0.000 0.207 293 L C 2.519 179.368 176.870 -0.036 0.000 1.078 293 L CA 1.158 55.967 54.840 -0.052 0.000 0.749 293 L CB -0.402 41.693 42.059 0.059 0.000 0.901 293 L HN 0.008 nan 8.230 nan 0.000 0.433 294 A N -0.715 122.157 122.820 0.086 0.000 2.015 294 A HA -0.207 4.113 4.320 0.001 0.000 0.219 294 A C 2.201 179.824 177.584 0.065 0.000 1.163 294 A CA 1.195 53.321 52.037 0.148 0.000 0.646 294 A CB -0.347 18.719 19.000 0.110 0.000 0.806 294 A HN 0.483 nan 8.150 nan 0.000 0.448 295 Q N -1.313 118.492 119.800 0.008 0.000 2.124 295 Q HA -0.199 4.141 4.340 0.001 0.000 0.202 295 Q C 2.131 178.113 176.000 -0.029 0.000 0.977 295 Q CA 1.482 57.279 55.803 -0.010 0.000 0.850 295 Q CB -0.349 28.382 28.738 -0.013 0.000 0.901 295 Q HN 0.933 nan 8.270 nan 0.000 0.429 296 H N -0.361 118.595 119.070 -0.190 0.000 2.363 296 H HA -0.128 4.428 4.556 0.001 0.000 0.301 296 H C 1.362 176.581 175.328 -0.182 0.000 1.074 296 H CA 1.348 57.248 56.048 -0.246 0.000 1.354 296 H CB 0.138 29.656 29.762 -0.407 0.000 1.397 296 H HN 0.264 nan 8.280 nan 0.000 0.516 297 Y N 0.790 121.050 120.300 -0.065 0.000 2.263 297 Y HA -0.076 4.475 4.550 0.001 0.000 0.292 297 Y C 2.928 178.760 175.900 -0.114 0.000 1.130 297 Y CA 0.567 58.600 58.100 -0.111 0.000 1.179 297 Y CB -0.594 37.873 38.460 0.012 0.000 0.998 297 Y HN 0.109 nan 8.280 nan 0.000 0.532 298 L N -0.865 120.397 121.223 0.065 0.000 2.141 298 L HA -0.162 4.178 4.340 0.001 0.000 0.209 298 L C 2.522 179.370 176.870 -0.036 0.000 1.094 298 L CA 1.053 55.901 54.840 0.013 0.000 0.763 298 L CB -0.595 41.469 42.059 0.008 0.000 0.908 298 L HN 0.205 nan 8.230 nan 0.000 0.437 299 A N -0.483 122.291 122.820 -0.077 0.000 2.016 299 A HA -0.180 4.141 4.320 0.001 0.000 0.217 299 A C 2.358 179.873 177.584 -0.115 0.000 1.162 299 A CA 1.253 53.234 52.037 -0.093 0.000 0.662 299 A CB -0.260 18.680 19.000 -0.099 0.000 0.812 299 A HN 0.274 nan 8.150 nan 0.000 0.450 300 K N -0.244 120.054 120.400 -0.171 0.000 2.103 300 K HA -0.111 4.209 4.320 0.001 0.000 0.204 300 K C 1.645 178.208 176.600 -0.062 0.000 1.052 300 K CA 1.264 57.464 56.287 -0.146 0.000 0.945 300 K CB -0.013 32.370 32.500 -0.194 0.000 0.722 300 K HN 0.443 nan 8.250 nan 0.000 0.443 301 E N -0.844 119.332 120.200 -0.039 0.000 2.107 301 E HA -0.060 4.290 4.350 0.001 0.000 0.191 301 E C 1.158 177.744 176.600 -0.024 0.000 0.982 301 E CA 1.237 57.624 56.400 -0.021 0.000 0.809 301 E CB 0.260 29.954 29.700 -0.010 0.000 0.756 301 E HN 0.556 nan 8.360 nan 0.000 0.459 302 G N 1.242 110.024 108.800 -0.031 0.000 2.143 302 G HA2 -0.195 3.765 3.960 0.001 0.000 0.175 302 G HA3 -0.195 3.765 3.960 0.001 0.000 0.175 302 G C 0.109 174.992 174.900 -0.028 0.000 1.004 302 G CA -0.130 44.953 45.100 -0.029 0.000 0.671 302 G HN 0.139 nan 8.290 nan 0.000 0.512 303 I N 1.651 122.202 120.570 -0.030 0.000 2.342 303 I HA 0.398 4.569 4.170 0.001 0.000 0.291 303 I C 0.766 176.853 176.117 -0.050 0.000 1.010 303 I CA -1.073 60.207 61.300 -0.034 0.000 1.308 303 I CB 1.646 39.631 38.000 -0.025 0.000 1.400 303 I HN -0.098 nan 8.210 nan 0.000 0.488 304 V N 5.928 125.802 119.914 -0.066 0.000 2.530 304 V HA 0.646 4.766 4.120 0.001 0.000 0.282 304 V C 0.490 176.499 176.094 -0.141 0.000 1.048 304 V CA -0.330 61.913 62.300 -0.094 0.000 0.997 304 V CB 0.929 32.693 31.823 -0.099 0.000 0.987 304 V HN 0.862 nan 8.190 nan 0.000 0.477 305 A N 3.821 126.557 122.820 -0.140 0.000 2.454 305 A HA 0.990 5.311 4.320 0.001 0.000 0.302 305 A C -0.442 177.038 177.584 -0.174 0.000 1.079 305 A CA -0.369 51.571 52.037 -0.162 0.000 0.731 305 A CB 1.972 20.920 19.000 -0.086 0.000 1.299 305 A HN 1.457 nan 8.150 nan 0.000 0.413 306 A N 1.375 124.077 122.820 -0.196 0.000 2.374 306 A HA 0.736 5.057 4.320 0.001 0.000 0.305 306 A C -0.290 177.282 177.584 -0.021 0.000 1.053 306 A CA -0.755 51.211 52.037 -0.118 0.000 0.726 306 A CB 0.900 19.796 19.000 -0.172 0.000 1.229 306 A HN 1.133 nan 8.150 nan 0.000 0.431 307 R N 1.975 122.478 120.500 0.004 0.000 2.346 307 R HA 0.740 5.080 4.340 0.001 0.000 0.311 307 R C -0.519 175.805 176.300 0.040 0.000 0.983 307 R CA -0.713 55.400 56.100 0.023 0.000 0.880 307 R CB 0.757 31.064 30.300 0.012 0.000 1.100 307 R HN 0.689 nan 8.270 nan 0.000 0.453 308 R N 0.889 121.417 120.500 0.046 0.000 3.076 308 R HA -0.117 4.224 4.340 0.001 0.000 0.261 308 R C -0.839 175.494 176.300 0.055 0.000 0.930 308 R CA 0.454 56.580 56.100 0.044 0.000 0.649 308 R CB -1.596 28.722 30.300 0.029 0.000 1.350 308 R HN 0.492 nan 8.270 nan 0.000 0.453 309 V N 2.434 122.397 119.914 0.080 0.000 2.546 309 V HA 0.136 4.257 4.120 0.001 0.000 0.284 309 V C 1.161 177.277 176.094 0.036 0.000 1.050 309 V CA -0.539 61.811 62.300 0.083 0.000 0.981 309 V CB 1.519 33.433 31.823 0.153 0.000 0.990 309 V HN 0.157 nan 8.190 nan 0.000 0.474 310 K N 3.183 123.591 120.400 0.014 0.000 2.527 310 K HA -0.025 4.295 4.320 0.001 0.000 0.278 310 K C 1.215 177.806 176.600 -0.014 0.000 0.981 310 K CA 0.257 56.542 56.287 -0.003 0.000 1.009 310 K CB 0.463 32.955 32.500 -0.013 0.000 0.895 310 K HN 0.587 nan 8.250 nan 0.000 0.493 311 K N 1.580 121.973 120.400 -0.012 0.000 2.147 311 K HA -0.168 4.152 4.320 0.001 0.000 0.205 311 K C 1.805 178.388 176.600 -0.029 0.000 1.049 311 K CA 1.743 58.021 56.287 -0.016 0.000 0.936 311 K CB 0.103 32.597 32.500 -0.009 0.000 0.722 311 K HN 0.651 nan 8.250 nan 0.000 0.446 312 S N 0.647 116.328 115.700 -0.032 0.000 2.383 312 S HA -0.132 4.338 4.470 0.001 0.000 0.227 312 S C 1.353 175.917 174.600 -0.060 0.000 1.026 312 S CA 1.321 59.496 58.200 -0.040 0.000 0.981 312 S CB -0.201 62.977 63.200 -0.036 0.000 0.818 312 S HN 0.275 nan 8.310 nan 0.000 0.472 313 D N 1.083 121.440 120.400 -0.071 0.000 2.234 313 D HA 0.094 4.734 4.640 0.001 0.000 0.205 313 D C 1.898 178.107 176.300 -0.151 0.000 0.962 313 D CA 0.707 54.640 54.000 -0.113 0.000 0.855 313 D CB -0.225 40.507 40.800 -0.113 0.000 0.951 313 D HN 0.325 nan 8.370 nan 0.000 0.500 314 M N 0.479 120.012 119.600 -0.110 0.000 2.200 314 M HA -0.052 4.428 4.480 0.001 0.000 0.265 314 M C 1.780 178.026 176.300 -0.089 0.000 1.066 314 M CA 1.094 56.330 55.300 -0.107 0.000 1.127 314 M CB -0.608 31.964 32.600 -0.047 0.000 1.379 314 M HN 0.067 nan 8.290 nan 0.000 0.420 315 E N -0.286 119.873 120.200 -0.069 0.000 2.208 315 E HA -0.122 4.229 4.350 0.001 0.000 0.193 315 E C 2.035 178.595 176.600 -0.067 0.000 0.988 315 E CA 0.547 56.914 56.400 -0.055 0.000 0.828 315 E CB 0.150 29.825 29.700 -0.041 0.000 0.763 315 E HN 0.341 nan 8.360 nan 0.000 0.478 316 K N 0.622 120.969 120.400 -0.089 0.000 2.062 316 K HA -0.059 4.262 4.320 0.001 0.000 0.205 316 K C 2.183 178.715 176.600 -0.114 0.000 1.051 316 K CA 0.695 56.924 56.287 -0.097 0.000 0.941 316 K CB -0.195 32.239 32.500 -0.110 0.000 0.719 316 K HN 0.181 nan 8.250 nan 0.000 0.440 317 L N 0.635 121.761 121.223 -0.162 0.000 2.141 317 L HA -0.112 4.228 4.340 0.001 0.000 0.209 317 L C 2.451 179.260 176.870 -0.102 0.000 1.094 317 L CA 0.948 55.677 54.840 -0.185 0.000 0.763 317 L CB -0.433 41.421 42.059 -0.341 0.000 0.908 317 L HN 0.094 nan 8.230 nan 0.000 0.437 318 A N -0.235 122.539 122.820 -0.077 0.000 1.968 318 A HA -0.144 4.176 4.320 0.001 0.000 0.217 318 A C 2.281 179.848 177.584 -0.029 0.000 1.169 318 A CA 1.319 53.332 52.037 -0.040 0.000 0.638 318 A CB -0.136 18.845 19.000 -0.031 0.000 0.812 318 A HN 0.322 nan 8.150 nan 0.000 0.446 319 K N -0.860 119.519 120.400 -0.036 0.000 2.308 319 K HA 0.264 4.584 4.320 0.001 0.000 0.197 319 K C 2.200 178.788 176.600 -0.021 0.000 1.049 319 K CA 0.661 56.934 56.287 -0.024 0.000 0.991 319 K CB 0.002 32.487 32.500 -0.026 0.000 0.836 319 K HN 0.368 nan 8.250 nan 0.000 0.500 320 A N 1.488 124.288 122.820 -0.034 0.000 1.855 320 A HA -0.117 4.203 4.320 0.001 0.000 0.213 320 A C 2.257 179.835 177.584 -0.010 0.000 1.195 320 A CA 2.028 54.048 52.037 -0.028 0.000 0.610 320 A CB -0.868 18.105 19.000 -0.046 0.000 0.837 320 A HN 0.371 nan 8.150 nan 0.000 0.444 321 T N -4.093 110.453 114.554 -0.012 0.000 3.043 321 T HA 0.385 4.735 4.350 0.001 0.000 0.263 321 T C 1.213 175.920 174.700 0.012 0.000 1.094 321 T CA 1.101 63.204 62.100 0.006 0.000 1.127 321 T CB -0.107 68.769 68.868 0.013 0.000 0.905 321 T HN 1.834 nan 8.240 nan 0.000 0.490 322 G N 1.041 109.844 108.800 0.005 0.000 2.414 322 G HA2 0.242 4.202 3.960 0.001 0.000 0.256 322 G HA3 0.242 4.202 3.960 0.001 0.000 0.256 322 G C -0.051 174.855 174.900 0.010 0.000 1.128 322 G CA -0.291 44.814 45.100 0.009 0.000 0.944 322 G HN 1.071 nan 8.290 nan 0.000 0.500 323 A N 0.043 122.866 122.820 0.005 0.000 2.322 323 A HA 0.897 5.218 4.320 0.001 0.000 0.327 323 A C -0.101 177.487 177.584 0.007 0.000 1.134 323 A CA -0.850 51.194 52.037 0.011 0.000 0.831 323 A CB 1.112 20.122 19.000 0.015 0.000 1.288 323 A HN 0.375 nan 8.150 nan 0.000 0.472 324 N N 0.133 118.840 118.700 0.012 0.000 2.342 324 N HA 0.419 5.160 4.740 0.001 0.000 0.293 324 N C -1.025 174.494 175.510 0.014 0.000 1.026 324 N CA -0.397 52.659 53.050 0.010 0.000 0.857 324 N CB 1.856 40.349 38.487 0.011 0.000 1.256 324 N HN 0.288 nan 8.380 nan 0.000 0.484 325 V N 3.411 123.330 119.914 0.010 0.000 2.415 325 V HA 0.207 4.327 4.120 0.001 0.000 0.267 325 V C 0.396 176.499 176.094 0.015 0.000 1.042 325 V CA -0.277 62.031 62.300 0.013 0.000 1.000 325 V CB -0.216 31.611 31.823 0.006 0.000 1.015 325 V HN 0.426 nan 8.190 nan 0.000 0.478 326 I N 4.797 125.379 120.570 0.021 0.000 2.336 326 I HA 0.313 4.483 4.170 0.001 0.000 0.292 326 I C 0.977 177.105 176.117 0.019 0.000 0.991 326 I CA -0.085 61.226 61.300 0.019 0.000 1.227 326 I CB 1.356 39.368 38.000 0.020 0.000 1.366 326 I HN 0.549 nan 8.210 nan 0.000 0.466 327 T N 3.372 117.935 114.554 0.015 0.000 3.186 327 T HA 0.144 4.494 4.350 0.001 0.000 0.257 327 T C 0.399 175.107 174.700 0.014 0.000 1.029 327 T CA -0.141 61.968 62.100 0.015 0.000 0.916 327 T CB -0.595 68.280 68.868 0.012 0.000 1.041 327 T HN 0.536 nan 8.240 nan 0.000 0.562 328 N N 0.378 119.087 118.700 0.014 0.000 2.503 328 N HA 0.340 5.081 4.740 0.001 0.000 0.287 328 N C 0.088 175.606 175.510 0.013 0.000 1.096 328 N CA -0.574 52.484 53.050 0.012 0.000 0.936 328 N CB 1.201 39.694 38.487 0.010 0.000 1.570 328 N HN 0.016 nan 8.380 nan 0.000 0.504 329 I N 2.302 122.880 120.570 0.013 0.000 2.676 329 I HA -0.031 4.140 4.170 0.001 0.000 0.259 329 I C 1.408 177.531 176.117 0.010 0.000 1.194 329 I CA 0.814 62.122 61.300 0.013 0.000 1.473 329 I CB 0.266 38.275 38.000 0.014 0.000 1.096 329 I HN 0.445 nan 8.210 nan 0.000 0.443 330 K N -0.128 120.276 120.400 0.008 0.000 2.296 330 K HA -0.092 4.229 4.320 0.001 0.000 0.200 330 K C 0.825 177.428 176.600 0.005 0.000 1.048 330 K CA 0.814 57.104 56.287 0.005 0.000 0.966 330 K CB -0.150 32.352 32.500 0.004 0.000 0.754 330 K HN 0.249 nan 8.250 nan 0.000 0.466 331 D N 0.539 120.944 120.400 0.007 0.000 2.462 331 D HA 0.019 4.659 4.640 0.001 0.000 0.221 331 D C -0.621 175.684 176.300 0.009 0.000 1.173 331 D CA -0.312 53.692 54.000 0.007 0.000 0.831 331 D CB 0.069 40.873 40.800 0.007 0.000 1.001 331 D HN -0.092 nan 8.370 nan 0.000 0.499 332 L N 1.337 122.566 121.223 0.010 0.000 2.600 332 L HA 0.153 4.493 4.340 0.001 0.000 0.278 332 L C 0.083 176.959 176.870 0.011 0.000 1.139 332 L CA 0.274 55.121 54.840 0.012 0.000 0.933 332 L CB 0.217 42.284 42.059 0.014 0.000 1.266 332 L HN -0.220 nan 8.230 nan 0.000 0.471 333 S N 3.056 118.763 115.700 0.011 0.000 2.586 333 S HA 0.629 5.100 4.470 0.001 0.000 0.274 333 S C 1.075 175.683 174.600 0.013 0.000 1.281 333 S CA -0.116 58.091 58.200 0.010 0.000 1.035 333 S CB 1.527 64.732 63.200 0.009 0.000 0.962 333 S HN 0.804 nan 8.310 nan 0.000 0.512 334 A N 3.046 125.873 122.820 0.011 0.000 2.218 334 A HA 0.192 4.513 4.320 0.001 0.000 0.209 334 A C 1.495 179.087 177.584 0.014 0.000 1.168 334 A CA 0.403 52.448 52.037 0.013 0.000 0.804 334 A CB -0.170 18.837 19.000 0.011 0.000 0.834 334 A HN 0.774 nan 8.150 nan 0.000 0.482 335 Q N -0.079 119.728 119.800 0.012 0.000 2.246 335 Q HA 0.075 4.415 4.340 0.001 0.000 0.202 335 Q C -0.021 175.987 176.000 0.013 0.000 0.883 335 Q CA 0.182 55.992 55.803 0.012 0.000 0.952 335 Q CB 0.409 29.153 28.738 0.009 0.000 1.078 335 Q HN 0.437 nan 8.270 nan 0.000 0.493 336 D N -0.736 119.673 120.400 0.015 0.000 2.369 336 D HA 0.091 4.731 4.640 0.001 0.000 0.211 336 D C -0.175 176.137 176.300 0.021 0.000 1.077 336 D CA 0.206 54.215 54.000 0.016 0.000 0.842 336 D CB 0.491 41.300 40.800 0.015 0.000 0.947 336 D HN 0.248 nan 8.370 nan 0.000 0.509 337 L N 0.320 121.557 121.223 0.024 0.000 2.375 337 L HA 0.526 4.867 4.340 0.001 0.000 0.271 337 L C 1.230 178.118 176.870 0.030 0.000 1.107 337 L CA -0.820 54.039 54.840 0.031 0.000 0.806 337 L CB 1.110 43.189 42.059 0.033 0.000 1.146 337 L HN -0.154 nan 8.230 nan 0.000 0.447 338 G N 0.002 108.824 108.800 0.037 0.000 2.502 338 G HA2 0.312 4.272 3.960 0.001 0.000 0.305 338 G HA3 0.312 4.272 3.960 0.001 0.000 0.305 338 G C -1.481 173.442 174.900 0.039 0.000 1.190 338 G CA -0.256 44.863 45.100 0.032 0.000 0.933 338 G HN 0.657 nan 8.290 nan 0.000 0.503 339 D N -0.275 120.146 120.400 0.034 0.000 2.629 339 D HA 0.545 5.185 4.640 0.001 0.000 0.250 339 D C -0.310 176.013 176.300 0.039 0.000 1.126 339 D CA -0.256 53.766 54.000 0.037 0.000 0.852 339 D CB 2.071 42.889 40.800 0.029 0.000 1.335 339 D HN 0.508 nan 8.370 nan 0.000 0.518 340 A N 1.981 124.830 122.820 0.048 0.000 2.313 340 A HA 0.707 5.028 4.320 0.001 0.000 0.323 340 A C 0.884 178.496 177.584 0.048 0.000 1.133 340 A CA -0.078 51.989 52.037 0.050 0.000 0.847 340 A CB 1.475 20.515 19.000 0.067 0.000 1.308 340 A HN 0.554 nan 8.150 nan 0.000 0.475 341 G N -0.947 107.882 108.800 0.048 0.000 2.437 341 G HA2 0.382 4.343 3.960 0.001 0.000 0.212 341 G HA3 0.382 4.343 3.960 0.001 0.000 0.212 341 G C 0.153 175.081 174.900 0.047 0.000 1.174 341 G CA 0.473 45.599 45.100 0.043 0.000 0.811 341 G HN 0.598 nan 8.290 nan 0.000 0.537 342 L N 0.991 122.251 121.223 0.061 0.000 2.439 342 L HA 0.577 4.918 4.340 0.001 0.000 0.270 342 L C -1.487 175.441 176.870 0.096 0.000 0.972 342 L CA -0.698 54.181 54.840 0.065 0.000 0.836 342 L CB 2.670 44.762 42.059 0.056 0.000 1.255 342 L HN -0.104 nan 8.230 nan 0.000 0.404 343 V N 4.070 124.038 119.914 0.089 0.000 2.378 343 V HA 0.535 4.655 4.120 0.001 0.000 0.288 343 V C -0.496 175.656 176.094 0.097 0.000 1.016 343 V CA -0.461 61.910 62.300 0.117 0.000 0.840 343 V CB 1.569 33.457 31.823 0.109 0.000 0.994 343 V HN 0.748 nan 8.190 nan 0.000 0.431 344 E N 3.148 123.430 120.200 0.136 0.000 2.304 344 E HA 0.301 4.652 4.350 0.001 0.000 0.277 344 E C -0.849 175.831 176.600 0.134 0.000 0.898 344 E CA -0.562 55.886 56.400 0.081 0.000 0.764 344 E CB 1.985 31.683 29.700 -0.003 0.000 1.216 344 E HN 0.732 nan 8.360 nan 0.000 0.419 345 E N 4.895 125.146 120.200 0.084 0.000 1.892 345 E HA 0.123 4.473 4.350 0.001 0.000 0.271 345 E C -0.587 176.052 176.600 0.066 0.000 1.146 345 E CA -0.225 56.240 56.400 0.109 0.000 1.096 345 E CB 0.241 29.980 29.700 0.065 0.000 1.155 345 E HN 0.290 nan 8.360 nan 0.000 0.458 346 R N 1.869 122.404 120.500 0.058 0.000 2.490 346 R HA 0.157 4.498 4.340 0.001 0.000 0.280 346 R C 0.272 176.608 176.300 0.059 0.000 1.077 346 R CA -0.065 55.992 56.100 -0.072 0.000 1.065 346 R CB 0.797 30.814 30.300 -0.472 0.000 1.003 346 R HN 0.166 nan 8.270 nan 0.000 0.470 347 K N 2.659 123.070 120.400 0.018 0.000 3.001 347 K HA 0.111 4.432 4.320 0.001 0.000 0.257 347 K C -0.200 176.432 176.600 0.054 0.000 1.290 347 K CA -0.221 56.093 56.287 0.046 0.000 1.252 347 K CB -0.091 32.422 32.500 0.021 0.000 1.656 347 K HN 0.315 nan 8.250 nan 0.000 0.351 348 I N 0.741 121.380 120.570 0.115 0.000 2.529 348 I HA -0.097 4.073 4.170 0.001 0.000 0.284 348 I C 0.632 176.813 176.117 0.105 0.000 1.082 348 I CA 0.946 62.322 61.300 0.127 0.000 1.406 348 I CB 0.940 39.108 38.000 0.280 0.000 1.405 348 I HN 0.397 nan 8.210 nan 0.000 0.548 349 S N 4.890 120.632 115.700 0.070 0.000 3.549 349 S HA -0.208 4.262 4.470 0.001 0.000 0.366 349 S C 1.193 175.819 174.600 0.042 0.000 1.012 349 S CA 1.131 59.361 58.200 0.050 0.000 1.141 349 S CB -1.532 61.698 63.200 0.051 0.000 0.910 349 S HN 1.600 nan 8.310 nan 0.000 0.471 350 G N 0.342 109.165 108.800 0.038 0.000 2.708 350 G HA2 -0.309 3.651 3.960 0.001 0.000 0.229 350 G HA3 -0.309 3.651 3.960 0.001 0.000 0.229 350 G C -0.276 174.646 174.900 0.037 0.000 1.236 350 G CA 0.323 45.441 45.100 0.030 0.000 0.749 350 G HN 0.666 nan 8.290 nan 0.000 0.515 351 D N 1.922 122.348 120.400 0.045 0.000 2.351 351 D HA 0.462 5.102 4.640 0.001 0.000 0.251 351 D C 0.771 177.114 176.300 0.072 0.000 1.137 351 D CA 0.799 54.827 54.000 0.048 0.000 0.879 351 D CB 1.343 42.167 40.800 0.040 0.000 1.181 351 D HN 0.604 nan 8.370 nan 0.000 0.448 352 S N 2.261 117.999 115.700 0.064 0.000 2.400 352 S HA 0.499 4.970 4.470 0.001 0.000 0.295 352 S C 0.104 174.762 174.600 0.097 0.000 1.113 352 S CA -0.769 57.480 58.200 0.081 0.000 1.064 352 S CB 0.395 63.627 63.200 0.055 0.000 0.990 352 S HN 0.329 nan 8.310 nan 0.000 0.502 353 M N 2.813 122.504 119.600 0.152 0.000 2.602 353 M HA 0.507 4.987 4.480 0.001 0.000 0.312 353 M C -0.703 175.723 176.300 0.209 0.000 1.181 353 M CA -0.781 54.597 55.300 0.132 0.000 0.910 353 M CB 2.052 34.685 32.600 0.055 0.000 1.723 353 M HN 0.512 nan 8.290 nan 0.000 0.459 354 I N 1.987 122.651 120.570 0.157 0.000 2.421 354 I HA 0.097 4.268 4.170 0.001 0.000 0.291 354 I C -0.837 175.387 176.117 0.178 0.000 1.089 354 I CA 0.116 61.542 61.300 0.210 0.000 1.354 354 I CB -0.060 38.093 38.000 0.255 0.000 1.413 354 I HN 0.433 nan 8.210 nan 0.000 0.513 355 F N 6.553 126.545 119.950 0.070 0.000 2.515 355 F HA 0.176 4.703 4.527 0.001 0.000 0.353 355 F C 0.357 176.195 175.800 0.063 0.000 1.213 355 F CA -0.298 57.733 58.000 0.052 0.000 1.194 355 F CB 0.404 39.424 39.000 0.034 0.000 1.488 355 F HN 0.142 nan 8.300 nan 0.000 0.619 356 V N 4.508 124.500 119.914 0.130 0.000 2.313 356 V HA 0.155 4.275 4.120 0.001 0.000 0.252 356 V C 0.129 176.266 176.094 0.072 0.000 1.112 356 V CA -0.289 62.078 62.300 0.112 0.000 0.984 356 V CB -0.609 31.257 31.823 0.073 0.000 1.157 356 V HN 0.686 nan 8.190 nan 0.000 0.493 357 E N 3.110 123.377 120.200 0.111 0.000 2.404 357 E HA 0.819 5.169 4.350 0.001 0.000 0.264 357 E C -0.292 176.353 176.600 0.074 0.000 0.946 357 E CA -0.883 55.575 56.400 0.096 0.000 0.806 357 E CB 2.145 31.943 29.700 0.163 0.000 1.334 357 E HN 0.140 nan 8.360 nan 0.000 0.429 358 E N -0.416 119.821 120.200 0.061 0.000 4.065 358 E HA -0.044 4.306 4.350 0.001 0.000 0.397 358 E C -2.135 174.489 176.600 0.040 0.000 0.694 358 E CA -0.331 56.098 56.400 0.049 0.000 1.479 358 E CB -1.381 28.347 29.700 0.047 0.000 1.729 358 E HN 0.525 nan 8.360 nan 0.000 0.343 359 C N 3.043 122.364 119.300 0.036 0.000 2.203 359 C HA 0.463 4.924 4.460 0.001 0.000 0.325 359 C C 1.281 176.289 174.990 0.029 0.000 1.156 359 C CA -0.590 58.444 59.018 0.026 0.000 1.597 359 C CB 0.141 27.887 27.740 0.011 0.000 2.148 359 C HN 0.238 nan 8.230 nan 0.000 0.472 360 K N 1.165 121.592 120.400 0.045 0.000 2.121 360 K HA 0.051 4.371 4.320 0.001 0.000 0.203 360 K C 0.579 177.240 176.600 0.102 0.000 1.041 360 K CA 0.966 57.291 56.287 0.063 0.000 0.969 360 K CB -0.141 32.398 32.500 0.065 0.000 0.799 360 K HN 0.676 nan 8.250 nan 0.000 0.456 361 H N 2.192 121.264 119.070 0.003 0.000 2.530 361 H HA 0.262 4.819 4.556 0.001 0.000 0.246 361 H C -2.554 172.773 175.328 -0.002 0.000 1.346 361 H CA -2.113 53.935 56.048 0.001 0.000 1.424 361 H CB 0.466 30.228 29.762 0.001 0.000 1.445 361 H HN -0.078 nan 8.280 nan 0.000 0.511 362 P HA 0.211 nan 4.420 nan 0.000 0.293 362 P C 0.309 177.508 177.300 -0.169 0.000 1.313 362 P CA -0.717 62.314 63.100 -0.114 0.000 0.787 362 P CB 1.625 33.276 31.700 -0.081 0.000 0.910 363 K N 1.077 121.419 120.400 -0.097 0.000 2.418 363 K HA 0.256 4.576 4.320 0.001 0.000 0.195 363 K C 0.570 177.134 176.600 -0.060 0.000 1.035 363 K CA 0.261 56.502 56.287 -0.076 0.000 1.003 363 K CB 0.414 32.901 32.500 -0.021 0.000 0.793 363 K HN 0.542 nan 8.250 nan 0.000 0.494 364 A N 1.017 123.802 122.820 -0.058 0.000 2.343 364 A HA 0.580 4.900 4.320 0.001 0.000 0.308 364 A C -0.774 176.774 177.584 -0.059 0.000 1.092 364 A CA -0.593 51.411 52.037 -0.055 0.000 0.751 364 A CB 1.570 20.540 19.000 -0.051 0.000 1.203 364 A HN -0.094 nan 8.150 nan 0.000 0.452 365 V N 1.665 121.544 119.914 -0.058 0.000 2.680 365 V HA 0.634 4.755 4.120 0.001 0.000 0.309 365 V C 0.031 176.090 176.094 -0.058 0.000 1.052 365 V CA -0.432 61.834 62.300 -0.056 0.000 0.908 365 V CB 2.238 34.030 31.823 -0.052 0.000 1.001 365 V HN 0.927 nan 8.190 nan 0.000 0.431 366 T N 5.697 120.213 114.554 -0.064 0.000 2.794 366 T HA 0.549 4.899 4.350 0.001 0.000 0.280 366 T C -0.363 174.299 174.700 -0.063 0.000 0.987 366 T CA -0.493 61.563 62.100 -0.073 0.000 0.993 366 T CB 1.071 69.879 68.868 -0.100 0.000 0.939 366 T HN 0.345 nan 8.240 nan 0.000 0.449 367 M N 3.667 123.233 119.600 -0.056 0.000 2.072 367 M HA 0.319 4.799 4.480 0.001 0.000 0.331 367 M C -0.606 175.666 176.300 -0.047 0.000 1.004 367 M CA -1.039 54.235 55.300 -0.044 0.000 0.952 367 M CB 0.918 33.499 32.600 -0.033 0.000 1.511 367 M HN 0.404 nan 8.290 nan 0.000 0.422 368 L N 5.973 127.167 121.223 -0.047 0.000 2.384 368 L HA 0.337 4.677 4.340 0.001 0.000 0.258 368 L C -0.345 176.512 176.870 -0.022 0.000 1.266 368 L CA 0.309 55.123 54.840 -0.044 0.000 1.162 368 L CB -0.582 41.448 42.059 -0.048 0.000 1.375 368 L HN 0.514 nan 8.230 nan 0.000 0.420 369 I N 4.364 124.921 120.570 -0.022 0.000 2.436 369 I HA 0.158 4.328 4.170 0.001 0.000 0.289 369 I C 0.406 176.518 176.117 -0.009 0.000 1.083 369 I CA 0.269 61.561 61.300 -0.013 0.000 1.372 369 I CB 0.045 38.036 38.000 -0.014 0.000 1.408 369 I HN 0.502 nan 8.210 nan 0.000 0.516 370 R N 4.378 124.877 120.500 -0.001 0.000 2.807 370 R HA 0.877 5.217 4.340 0.001 0.000 0.276 370 R C -0.269 176.035 176.300 0.006 0.000 0.979 370 R CA -0.953 55.149 56.100 0.003 0.000 0.928 370 R CB 2.303 32.609 30.300 0.010 0.000 1.191 370 R HN 0.746 nan 8.270 nan 0.000 0.471 371 G N -0.764 108.041 108.800 0.008 0.000 2.600 371 G HA2 0.245 4.206 3.960 0.001 0.000 0.293 371 G HA3 0.245 4.206 3.960 0.001 0.000 0.293 371 G C 0.451 175.359 174.900 0.013 0.000 1.408 371 G CA -0.199 44.907 45.100 0.011 0.000 0.782 371 G HN 0.518 nan 8.290 nan 0.000 0.482 372 T N -1.866 112.698 114.554 0.017 0.000 2.639 372 T HA 0.088 4.439 4.350 0.001 0.000 0.261 372 T C 1.441 176.153 174.700 0.021 0.000 1.053 372 T CA 2.148 64.259 62.100 0.018 0.000 1.158 372 T CB -0.890 67.990 68.868 0.019 0.000 0.863 372 T HN 1.245 nan 8.240 nan 0.000 0.413 373 T N -0.854 113.718 114.554 0.030 0.000 2.925 373 T HA 0.549 4.900 4.350 0.001 0.000 0.285 373 T C 0.707 175.422 174.700 0.025 0.000 1.021 373 T CA -0.660 61.463 62.100 0.038 0.000 1.042 373 T CB 2.163 71.073 68.868 0.070 0.000 1.037 373 T HN 0.130 nan 8.240 nan 0.000 0.481 374 E N 0.161 120.356 120.200 -0.009 0.000 2.160 374 E HA -0.159 4.192 4.350 0.001 0.000 0.195 374 E C 1.539 178.074 176.600 -0.109 0.000 0.991 374 E CA 1.575 57.928 56.400 -0.079 0.000 0.810 374 E CB -0.463 29.152 29.700 -0.141 0.000 0.742 374 E HN 0.881 nan 8.360 nan 0.000 0.466 375 H N -1.663 117.409 119.070 0.003 0.000 2.462 375 H HA 0.011 4.567 4.556 0.001 0.000 0.292 375 H C 1.847 177.176 175.328 0.003 0.000 1.049 375 H CA 1.106 57.155 56.048 0.003 0.000 1.334 375 H CB 0.363 30.127 29.762 0.003 0.000 1.404 375 H HN 0.026 nan 8.280 nan 0.000 0.544 376 V N 0.400 120.378 119.914 0.108 0.000 2.323 376 V HA -0.188 3.932 4.120 0.001 0.000 0.244 376 V C 2.165 178.280 176.094 0.034 0.000 1.041 376 V CA 1.521 63.857 62.300 0.061 0.000 1.025 376 V CB -0.320 31.530 31.823 0.045 0.000 0.656 376 V HN 0.385 nan 8.190 nan 0.000 0.451 377 I N 0.142 120.722 120.570 0.017 0.000 2.208 377 I HA -0.299 3.871 4.170 0.001 0.000 0.245 377 I C 2.556 178.672 176.117 -0.002 0.000 1.097 377 I CA 2.053 63.354 61.300 0.001 0.000 1.363 377 I CB -0.438 37.555 38.000 -0.012 0.000 1.051 377 I HN 0.385 nan 8.210 nan 0.000 0.413 378 E N 0.753 120.950 120.200 -0.006 0.000 2.153 378 E HA -0.286 4.065 4.350 0.001 0.000 0.194 378 E C 2.023 178.631 176.600 0.013 0.000 0.988 378 E CA 1.281 57.678 56.400 -0.004 0.000 0.811 378 E CB 0.131 29.823 29.700 -0.013 0.000 0.746 378 E HN 0.377 nan 8.360 nan 0.000 0.466 379 E N -0.385 119.831 120.200 0.027 0.000 2.107 379 E HA -0.100 4.250 4.350 0.001 0.000 0.191 379 E C 1.833 178.443 176.600 0.017 0.000 0.982 379 E CA 0.858 57.275 56.400 0.027 0.000 0.809 379 E CB 0.179 29.901 29.700 0.036 0.000 0.756 379 E HN 0.099 nan 8.360 nan 0.000 0.459 380 V N 0.610 120.532 119.914 0.014 0.000 2.809 380 V HA -0.104 4.016 4.120 0.001 0.000 0.256 380 V C 2.174 178.269 176.094 0.002 0.000 1.080 380 V CA 1.387 63.692 62.300 0.008 0.000 1.102 380 V CB -0.537 31.291 31.823 0.007 0.000 0.705 380 V HN 0.396 nan 8.190 nan 0.000 0.475 381 A N 0.173 122.993 122.820 0.000 0.000 1.897 381 A HA -0.113 4.208 4.320 0.001 0.000 0.215 381 A C 2.396 179.978 177.584 -0.003 0.000 1.181 381 A CA 1.176 53.210 52.037 -0.005 0.000 0.620 381 A CB -0.353 18.641 19.000 -0.010 0.000 0.821 381 A HN 0.451 nan 8.150 nan 0.000 0.443 382 R N -0.637 119.864 120.500 0.002 0.000 2.193 382 R HA 0.080 4.420 4.340 0.001 0.000 0.213 382 R C 2.268 178.571 176.300 0.004 0.000 1.055 382 R CA 0.811 56.913 56.100 0.004 0.000 0.995 382 R CB -0.246 30.058 30.300 0.008 0.000 0.893 382 R HN 0.503 nan 8.270 nan 0.000 0.459 383 A N 0.534 123.357 122.820 0.006 0.000 1.968 383 A HA -0.058 4.262 4.320 0.001 0.000 0.217 383 A C 2.178 179.763 177.584 0.003 0.000 1.169 383 A CA 0.930 52.970 52.037 0.006 0.000 0.638 383 A CB -0.142 18.863 19.000 0.008 0.000 0.812 383 A HN 0.086 nan 8.150 nan 0.000 0.446 384 V N 0.447 120.361 119.914 -0.001 0.000 2.548 384 V HA -0.183 3.938 4.120 0.001 0.000 0.249 384 V C 2.021 178.112 176.094 -0.005 0.000 1.055 384 V CA 1.915 64.213 62.300 -0.004 0.000 1.065 384 V CB -0.698 31.121 31.823 -0.007 0.000 0.681 384 V HN 0.478 nan 8.190 nan 0.000 0.462 385 D N 0.580 120.978 120.400 -0.004 0.000 2.133 385 D HA -0.195 4.445 4.640 0.001 0.000 0.195 385 D C 1.782 178.080 176.300 -0.003 0.000 0.997 385 D CA 1.789 55.786 54.000 -0.005 0.000 0.840 385 D CB -0.157 40.640 40.800 -0.004 0.000 0.947 385 D HN 0.480 nan 8.370 nan 0.000 0.452 386 D N 0.013 120.413 120.400 -0.000 0.000 2.194 386 D HA 0.001 4.641 4.640 0.001 0.000 0.204 386 D C 1.943 178.243 176.300 0.001 0.000 0.964 386 D CA 0.975 54.976 54.000 0.001 0.000 0.846 386 D CB -0.144 40.659 40.800 0.004 0.000 0.962 386 D HN 0.127 nan 8.370 nan 0.000 0.490 387 A N 0.194 123.014 122.820 -0.000 0.000 1.968 387 A HA -0.056 4.264 4.320 0.001 0.000 0.217 387 A C 2.266 179.847 177.584 -0.004 0.000 1.169 387 A CA 0.703 52.739 52.037 -0.001 0.000 0.638 387 A CB -0.461 18.539 19.000 -0.001 0.000 0.812 387 A HN 0.133 nan 8.150 nan 0.000 0.446 388 V N -0.226 119.684 119.914 -0.006 0.000 2.379 388 V HA -0.121 4.000 4.120 0.001 0.000 0.245 388 V C 2.792 178.881 176.094 -0.007 0.000 1.044 388 V CA 1.785 64.080 62.300 -0.008 0.000 1.036 388 V CB -1.224 30.592 31.823 -0.011 0.000 0.664 388 V HN 0.583 nan 8.190 nan 0.000 0.453 389 G N 0.736 109.533 108.800 -0.005 0.000 2.421 389 G HA2 -0.225 3.736 3.960 0.001 0.000 0.216 389 G HA3 -0.225 3.736 3.960 0.001 0.000 0.216 389 G C 1.750 176.648 174.900 -0.002 0.000 1.171 389 G CA 1.633 46.731 45.100 -0.003 0.000 0.775 389 G HN 0.535 nan 8.290 nan 0.000 0.543 390 V N -0.772 119.141 119.914 -0.001 0.000 2.343 390 V HA -0.132 3.988 4.120 0.001 0.000 0.247 390 V C 2.740 178.834 176.094 -0.001 0.000 1.051 390 V CA 1.756 64.056 62.300 0.000 0.000 1.036 390 V CB -0.980 30.845 31.823 0.002 0.000 0.654 390 V HN 0.156 nan 8.190 nan 0.000 0.451 391 V N 1.857 121.769 119.914 -0.002 0.000 2.427 391 V HA -0.035 4.085 4.120 0.001 0.000 0.248 391 V C 2.915 179.006 176.094 -0.004 0.000 1.051 391 V CA 2.105 64.403 62.300 -0.003 0.000 1.048 391 V CB -1.492 30.328 31.823 -0.005 0.000 0.666 391 V HN 0.631 nan 8.190 nan 0.000 0.456 392 G N -1.357 107.440 108.800 -0.005 0.000 2.422 392 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 392 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 392 G C 1.655 176.553 174.900 -0.004 0.000 1.140 392 G CA 1.247 46.344 45.100 -0.006 0.000 0.775 392 G HN 0.539 nan 8.290 nan 0.000 0.545 393 C N 0.587 119.886 119.300 -0.002 0.000 2.450 393 C HA 0.058 4.519 4.460 0.001 0.000 0.279 393 C C 3.174 178.164 174.990 -0.000 0.000 1.335 393 C CA 1.387 60.405 59.018 -0.001 0.000 1.749 393 C CB -0.749 26.991 27.740 0.000 0.000 1.963 393 C HN 0.437 nan 8.230 nan 0.000 0.501 394 T N 1.334 115.888 114.554 -0.000 0.000 2.857 394 T HA -0.018 4.333 4.350 0.001 0.000 0.266 394 T C 1.601 176.301 174.700 -0.000 0.000 1.048 394 T CA 1.154 63.254 62.100 0.000 0.000 1.139 394 T CB -0.189 68.679 68.868 0.000 0.000 0.874 394 T HN 0.478 nan 8.240 nan 0.000 0.455 395 I N 0.907 121.477 120.570 -0.001 0.000 2.286 395 I HA -0.094 4.077 4.170 0.001 0.000 0.245 395 I C 2.631 178.748 176.117 -0.000 0.000 1.104 395 I CA 1.252 62.552 61.300 -0.001 0.000 1.397 395 I CB -0.308 37.691 38.000 -0.002 0.000 1.072 395 I HN 0.262 nan 8.210 nan 0.000 0.417 396 E N 0.587 120.786 120.200 -0.000 0.000 2.107 396 E HA -0.169 4.182 4.350 0.001 0.000 0.191 396 E C 1.396 177.996 176.600 0.000 0.000 0.982 396 E CA 1.104 57.504 56.400 -0.000 0.000 0.809 396 E CB 0.107 29.806 29.700 -0.001 0.000 0.756 396 E HN 0.503 nan 8.360 nan 0.000 0.459 397 D N -1.779 118.621 120.400 0.000 0.000 2.527 397 D HA 0.055 4.695 4.640 0.001 0.000 0.249 397 D C 1.496 177.797 176.300 0.001 0.000 1.029 397 D CA 1.382 55.383 54.000 0.000 0.000 0.951 397 D CB 0.584 41.384 40.800 0.001 0.000 1.093 397 D HN 0.319 nan 8.370 nan 0.000 0.464 398 G N -0.197 108.603 108.800 0.001 0.000 2.705 398 G HA2 -0.144 3.816 3.960 0.001 0.000 0.193 398 G HA3 -0.144 3.816 3.960 0.001 0.000 0.193 398 G C 0.279 175.180 174.900 0.002 0.000 1.015 398 G CA -0.539 44.562 45.100 0.001 0.000 0.743 398 G HN 0.130 nan 8.290 nan 0.000 0.476 399 R N 0.979 121.480 120.500 0.002 0.000 2.371 399 R HA 0.618 4.959 4.340 0.001 0.000 0.312 399 R C -0.376 175.926 176.300 0.003 0.000 0.980 399 R CA -0.411 55.691 56.100 0.002 0.000 0.867 399 R CB 1.197 31.498 30.300 0.002 0.000 1.163 399 R HN 0.576 nan 8.270 nan 0.000 0.492 400 I N -0.482 120.090 120.570 0.004 0.000 2.785 400 I HA 0.751 4.921 4.170 0.001 0.000 0.302 400 I C -0.220 175.902 176.117 0.008 0.000 1.069 400 I CA -1.291 60.012 61.300 0.006 0.000 1.045 400 I CB 2.239 40.243 38.000 0.006 0.000 1.236 400 I HN 0.173 nan 8.210 nan 0.000 0.429 401 V N 0.525 120.445 119.914 0.010 0.000 2.914 401 V HA 0.685 4.805 4.120 0.001 0.000 0.314 401 V C 0.220 176.324 176.094 0.017 0.000 1.084 401 V CA -0.700 61.609 62.300 0.014 0.000 0.963 401 V CB 1.277 33.108 31.823 0.013 0.000 1.025 401 V HN 0.972 nan 8.190 nan 0.000 0.432 402 S N 1.811 117.526 115.700 0.024 0.000 2.533 402 S HA 0.606 5.076 4.470 0.001 0.000 0.282 402 S C 0.504 175.121 174.600 0.028 0.000 1.304 402 S CA 0.133 58.350 58.200 0.028 0.000 1.063 402 S CB 0.608 63.830 63.200 0.037 0.000 0.881 402 S HN 1.689 nan 8.310 nan 0.000 0.493 403 G N 0.697 109.513 108.800 0.026 0.000 2.532 403 G HA2 0.572 4.532 3.960 0.001 0.000 0.291 403 G HA3 0.572 4.532 3.960 0.001 0.000 0.291 403 G C 0.834 175.750 174.900 0.027 0.000 1.349 403 G CA -0.661 44.453 45.100 0.023 0.000 1.038 403 G HN 2.001 nan 8.290 nan 0.000 0.518 404 G N -2.052 106.761 108.800 0.021 0.000 2.198 404 G HA2 0.284 4.245 3.960 0.001 0.000 0.257 404 G HA3 0.284 4.245 3.960 0.001 0.000 0.257 404 G C 1.240 176.146 174.900 0.010 0.000 1.042 404 G CA 0.928 46.039 45.100 0.017 0.000 0.791 404 G HN 2.507 nan 8.290 nan 0.000 0.502 405 G N -1.474 107.327 108.800 0.002 0.000 2.272 405 G HA2 0.016 3.976 3.960 0.001 0.000 0.280 405 G HA3 0.016 3.976 3.960 0.001 0.000 0.280 405 G C 1.045 175.945 174.900 0.000 0.000 1.067 405 G CA 1.490 46.584 45.100 -0.010 0.000 0.902 405 G HN 1.938 nan 8.290 nan 0.000 0.500 406 S N -1.137 114.578 115.700 0.025 0.000 2.444 406 S HA 0.019 4.490 4.470 0.001 0.000 0.223 406 S C 2.616 177.256 174.600 0.066 0.000 1.054 406 S CA 1.906 60.152 58.200 0.077 0.000 0.947 406 S CB -0.138 63.117 63.200 0.091 0.000 0.850 406 S HN 1.124 nan 8.310 nan 0.000 0.527 407 T N -0.316 114.262 114.554 0.040 0.000 3.085 407 T HA 0.148 4.499 4.350 0.001 0.000 0.263 407 T C 1.276 175.960 174.700 -0.026 0.000 1.127 407 T CA 0.914 63.030 62.100 0.027 0.000 1.103 407 T CB -0.345 68.538 68.868 0.025 0.000 0.921 407 T HN 0.328 nan 8.240 nan 0.000 0.510 408 E N 1.035 121.205 120.200 -0.049 0.000 2.152 408 E HA 0.018 4.369 4.350 0.001 0.000 0.192 408 E C 2.178 178.704 176.600 -0.123 0.000 0.983 408 E CA 0.532 56.889 56.400 -0.072 0.000 0.818 408 E CB -0.318 29.343 29.700 -0.065 0.000 0.758 408 E HN 0.405 nan 8.360 nan 0.000 0.467 409 V N 0.518 120.305 119.914 -0.212 0.000 2.535 409 V HA -0.146 3.974 4.120 0.001 0.000 0.246 409 V C 2.216 178.066 176.094 -0.406 0.000 1.045 409 V CA 1.546 63.630 62.300 -0.360 0.000 1.058 409 V CB -0.323 31.157 31.823 -0.571 0.000 0.689 409 V HN 0.167 nan 8.190 nan 0.000 0.461 410 E N 0.818 120.794 120.200 -0.373 0.000 2.077 410 E HA -0.230 4.120 4.350 0.001 0.000 0.193 410 E C 1.932 178.515 176.600 -0.028 0.000 0.989 410 E CA 1.421 57.777 56.400 -0.073 0.000 0.800 410 E CB -0.389 29.393 29.700 0.136 0.000 0.746 410 E HN 0.424 nan 8.360 nan 0.000 0.452 411 L N -0.115 121.085 121.223 -0.039 0.000 2.217 411 L HA 0.022 4.362 4.340 0.001 0.000 0.211 411 L C 2.318 179.181 176.870 -0.012 0.000 1.107 411 L CA 1.560 56.391 54.840 -0.017 0.000 0.783 411 L CB -0.617 41.435 42.059 -0.011 0.000 0.919 411 L HN 0.159 nan 8.230 nan 0.000 0.442 412 S N -0.476 115.199 115.700 -0.041 0.000 2.371 412 S HA -0.192 4.279 4.470 0.001 0.000 0.224 412 S C 2.062 176.658 174.600 -0.008 0.000 1.029 412 S CA 1.449 59.632 58.200 -0.029 0.000 0.978 412 S CB -0.214 62.948 63.200 -0.064 0.000 0.833 412 S HN 0.609 nan 8.310 nan 0.000 0.466 413 M N -0.538 119.050 119.600 -0.020 0.000 2.349 413 M HA 0.219 4.699 4.480 0.001 0.000 0.266 413 M C 1.643 177.963 176.300 0.034 0.000 1.076 413 M CA 1.216 56.521 55.300 0.008 0.000 1.126 413 M CB -0.198 32.408 32.600 0.010 0.000 1.392 413 M HN -0.067 nan 8.290 nan 0.000 0.440 414 K N 1.094 121.513 120.400 0.032 0.000 2.365 414 K HA 0.191 4.511 4.320 0.001 0.000 0.197 414 K C 1.793 178.435 176.600 0.070 0.000 1.042 414 K CA 0.839 57.152 56.287 0.043 0.000 0.987 414 K CB -0.003 32.510 32.500 0.021 0.000 0.779 414 K HN 0.491 nan 8.250 nan 0.000 0.484 415 L N -0.318 120.952 121.223 0.078 0.000 2.416 415 L HA 0.081 4.421 4.340 0.001 0.000 0.216 415 L C 2.286 179.259 176.870 0.172 0.000 1.098 415 L CA 0.280 55.209 54.840 0.147 0.000 0.840 415 L CB 0.007 42.139 42.059 0.122 0.000 0.981 415 L HN 0.016 nan 8.230 nan 0.000 0.462 416 R N 0.500 121.061 120.500 0.101 0.000 2.090 416 R HA -0.138 4.202 4.340 0.001 0.000 0.228 416 R C 2.052 178.389 176.300 0.062 0.000 1.110 416 R CA 1.479 57.621 56.100 0.070 0.000 0.973 416 R CB -0.018 30.307 30.300 0.042 0.000 0.869 416 R HN 0.502 nan 8.270 nan 0.000 0.440 417 E N -0.484 119.761 120.200 0.076 0.000 2.285 417 E HA -0.208 4.143 4.350 0.001 0.000 0.194 417 E C 1.562 178.216 176.600 0.091 0.000 0.997 417 E CA 0.768 57.208 56.400 0.066 0.000 0.845 417 E CB -0.343 29.394 29.700 0.062 0.000 0.782 417 E HN 0.390 nan 8.360 nan 0.000 0.491 418 Y N 1.852 122.152 120.300 -0.001 0.000 2.314 418 Y HA 0.095 4.645 4.550 0.000 0.000 0.293 418 Y C 2.378 178.272 175.900 -0.009 0.000 1.129 418 Y CA 1.024 59.120 58.100 -0.007 0.000 1.201 418 Y CB -0.270 38.182 38.460 -0.013 0.000 0.999 418 Y HN 0.118 nan 8.280 nan 0.000 0.541 419 A N 0.291 123.055 122.820 -0.093 0.000 2.015 419 A HA -0.139 4.182 4.320 0.001 0.000 0.219 419 A C 2.024 179.525 177.584 -0.139 0.000 1.163 419 A CA 1.567 53.509 52.037 -0.159 0.000 0.646 419 A CB -0.584 18.398 19.000 -0.029 0.000 0.806 419 A HN 0.623 nan 8.150 nan 0.000 0.448 420 E N -0.621 119.530 120.200 -0.082 0.000 2.204 420 E HA -0.108 4.243 4.350 0.001 0.000 0.195 420 E C 1.657 178.209 176.600 -0.081 0.000 0.990 420 E CA 0.727 57.092 56.400 -0.058 0.000 0.821 420 E CB -0.218 29.468 29.700 -0.023 0.000 0.750 420 E HN 0.593 nan 8.360 nan 0.000 0.477 421 G N 0.618 109.342 108.800 -0.126 0.000 3.314 421 G HA2 0.181 4.141 3.960 0.001 0.000 0.238 421 G HA3 0.181 4.141 3.960 0.001 0.000 0.238 421 G C 0.284 175.082 174.900 -0.170 0.000 1.184 421 G CA -0.236 44.790 45.100 -0.124 0.000 0.806 421 G HN 0.003 nan 8.290 nan 0.000 0.536 422 I N 1.777 122.232 120.570 -0.190 0.000 2.389 422 I HA 0.275 4.445 4.170 0.001 0.000 0.288 422 I C -0.063 175.995 176.117 -0.099 0.000 0.999 422 I CA -0.748 60.447 61.300 -0.174 0.000 1.129 422 I CB 2.188 40.043 38.000 -0.242 0.000 1.288 422 I HN 0.044 nan 8.210 nan 0.000 0.444 423 S N 4.330 119.987 115.700 -0.071 0.000 2.508 423 S HA 0.951 5.421 4.470 0.001 0.000 0.284 423 S C 0.107 174.687 174.600 -0.034 0.000 1.192 423 S CA -0.087 58.086 58.200 -0.045 0.000 1.070 423 S CB 1.772 64.951 63.200 -0.035 0.000 1.004 423 S HN 1.216 nan 8.310 nan 0.000 0.493 424 G N 1.855 110.641 108.800 -0.023 0.000 2.331 424 G HA2 -0.079 3.882 3.960 0.001 0.000 0.479 424 G HA3 -0.079 3.882 3.960 0.001 0.000 0.479 424 G C -0.098 174.799 174.900 -0.005 0.000 1.262 424 G CA -0.414 44.678 45.100 -0.013 0.000 1.029 424 G HN 0.721 nan 8.290 nan 0.000 0.487 425 R N 0.581 121.084 120.500 0.005 0.000 2.276 425 R HA 0.140 4.480 4.340 0.001 0.000 0.196 425 R C 2.391 178.708 176.300 0.029 0.000 0.961 425 R CA 1.336 57.447 56.100 0.018 0.000 1.024 425 R CB -0.156 30.158 30.300 0.024 0.000 0.940 425 R HN 0.707 nan 8.270 nan 0.000 0.480 426 E N -0.047 120.166 120.200 0.022 0.000 2.347 426 E HA -0.234 4.116 4.350 0.001 0.000 0.196 426 E C 1.629 178.244 176.600 0.026 0.000 1.008 426 E CA 0.519 56.939 56.400 0.033 0.000 0.852 426 E CB -0.113 29.599 29.700 0.020 0.000 0.783 426 E HN 0.339 nan 8.360 nan 0.000 0.505 427 Q N 1.366 121.167 119.800 0.001 0.000 2.084 427 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 427 Q C 2.244 178.258 176.000 0.023 0.000 0.978 427 Q CA 1.324 57.119 55.803 -0.014 0.000 0.844 427 Q CB -0.084 28.638 28.738 -0.028 0.000 0.898 427 Q HN 0.442 nan 8.270 nan 0.000 0.426 428 L N 0.278 121.526 121.223 0.042 0.000 2.191 428 L HA -0.134 4.207 4.340 0.001 0.000 0.212 428 L C 2.494 179.433 176.870 0.114 0.000 1.103 428 L CA 0.858 55.736 54.840 0.064 0.000 0.769 428 L CB -0.454 41.639 42.059 0.056 0.000 0.908 428 L HN 0.252 nan 8.230 nan 0.000 0.438 429 A N -0.531 122.378 122.820 0.148 0.000 1.929 429 A HA -0.072 4.249 4.320 0.001 0.000 0.216 429 A C 2.273 179.983 177.584 0.210 0.000 1.176 429 A CA 1.243 53.452 52.037 0.286 0.000 0.628 429 A CB -0.495 18.696 19.000 0.319 0.000 0.816 429 A HN 0.183 nan 8.150 nan 0.000 0.444 430 V N -0.049 119.927 119.914 0.103 0.000 2.453 430 V HA -0.188 3.933 4.120 0.001 0.000 0.247 430 V C 2.537 178.687 176.094 0.092 0.000 1.048 430 V CA 1.868 64.203 62.300 0.057 0.000 1.049 430 V CB -0.810 31.027 31.823 0.023 0.000 0.672 430 V HN 0.488 nan 8.190 nan 0.000 0.457 431 R N 0.439 120.984 120.500 0.074 0.000 2.075 431 R HA -0.075 4.265 4.340 0.001 0.000 0.232 431 R C 2.399 178.737 176.300 0.063 0.000 1.126 431 R CA 1.469 57.607 56.100 0.062 0.000 0.963 431 R CB -0.518 29.809 30.300 0.045 0.000 0.858 431 R HN 0.522 nan 8.270 nan 0.000 0.435 432 A N 0.170 123.043 122.820 0.088 0.000 2.014 432 A HA -0.129 4.192 4.320 0.001 0.000 0.218 432 A C 1.856 179.439 177.584 -0.002 0.000 1.163 432 A CA 0.725 52.810 52.037 0.081 0.000 0.652 432 A CB -0.441 18.665 19.000 0.176 0.000 0.808 432 A HN 0.316 nan 8.150 nan 0.000 0.449 433 F N 0.552 120.359 119.950 -0.238 0.000 2.206 433 F HA 0.021 4.548 4.527 0.001 0.000 0.298 433 F C 2.462 178.147 175.800 -0.191 0.000 1.090 433 F CA 1.185 58.947 58.000 -0.396 0.000 1.323 433 F CB -0.047 38.641 39.000 -0.520 0.000 1.028 433 F HN 0.247 nan 8.300 nan 0.000 0.492 434 A N -0.560 122.317 122.820 0.095 0.000 1.970 434 A HA -0.098 4.223 4.320 0.001 0.000 0.216 434 A C 1.729 179.297 177.584 -0.026 0.000 1.170 434 A CA 1.617 53.684 52.037 0.052 0.000 0.645 434 A CB -0.688 18.362 19.000 0.082 0.000 0.816 434 A HN 0.333 nan 8.150 nan 0.000 0.447 435 D N 0.102 120.485 120.400 -0.027 0.000 2.269 435 D HA 0.079 4.720 4.640 0.001 0.000 0.208 435 D C 1.909 178.166 176.300 -0.072 0.000 0.963 435 D CA 1.131 55.109 54.000 -0.037 0.000 0.864 435 D CB -0.136 40.655 40.800 -0.014 0.000 0.936 435 D HN 0.425 nan 8.370 nan 0.000 0.505 436 A N -0.015 122.731 122.820 -0.124 0.000 2.119 436 A HA 0.044 4.365 4.320 0.001 0.000 0.216 436 A C 2.044 179.519 177.584 -0.181 0.000 1.152 436 A CA 0.262 52.202 52.037 -0.162 0.000 0.708 436 A CB -0.400 18.457 19.000 -0.238 0.000 0.805 436 A HN 0.196 nan 8.150 nan 0.000 0.460 437 L N -0.612 120.503 121.223 -0.180 0.000 2.376 437 L HA -0.064 4.277 4.340 0.001 0.000 0.219 437 L C 1.680 178.487 176.870 -0.105 0.000 1.133 437 L CA 0.776 55.526 54.840 -0.151 0.000 0.816 437 L CB -0.241 41.746 42.059 -0.120 0.000 0.933 437 L HN 0.409 nan 8.230 nan 0.000 0.449 438 E N -0.674 119.472 120.200 -0.091 0.000 2.445 438 E HA -0.067 4.283 4.350 0.001 0.000 0.189 438 E C 1.849 178.409 176.600 -0.066 0.000 1.069 438 E CA -0.091 56.264 56.400 -0.074 0.000 0.871 438 E CB 0.447 30.109 29.700 -0.063 0.000 0.991 438 E HN 0.229 nan 8.360 nan 0.000 0.481 439 V N 0.915 120.785 119.914 -0.072 0.000 2.488 439 V HA -0.188 3.933 4.120 0.001 0.000 0.246 439 V C 1.773 177.834 176.094 -0.055 0.000 1.046 439 V CA 1.044 63.307 62.300 -0.062 0.000 1.053 439 V CB -0.039 31.743 31.823 -0.067 0.000 0.679 439 V HN 0.279 nan 8.190 nan 0.000 0.458 440 I N 0.996 121.531 120.570 -0.058 0.000 2.179 440 I HA -0.078 4.093 4.170 0.001 0.000 0.242 440 I C 0.031 176.122 176.117 -0.043 0.000 1.088 440 I CA 1.625 62.895 61.300 -0.048 0.000 1.357 440 I CB -2.904 35.067 38.000 -0.047 0.000 1.051 440 I HN 0.361 nan 8.210 nan 0.000 0.409 441 P HA -0.098 nan 4.420 nan 0.000 0.221 441 P C 1.818 179.096 177.300 -0.038 0.000 1.150 441 P CA 1.253 64.329 63.100 -0.040 0.000 0.800 441 P CB -0.127 31.546 31.700 -0.045 0.000 0.787 442 R N -0.080 120.396 120.500 -0.040 0.000 2.075 442 R HA -0.066 4.275 4.340 0.001 0.000 0.226 442 R C 1.917 178.194 176.300 -0.037 0.000 1.114 442 R CA 2.003 58.081 56.100 -0.037 0.000 0.972 442 R CB -0.702 29.576 30.300 -0.037 0.000 0.869 442 R HN 0.202 nan 8.270 nan 0.000 0.437 443 T N -1.088 113.442 114.554 -0.039 0.000 2.995 443 T HA -0.016 4.334 4.350 0.001 0.000 0.269 443 T C 1.925 176.600 174.700 -0.041 0.000 1.091 443 T CA 0.595 62.672 62.100 -0.038 0.000 1.128 443 T CB -0.151 68.695 68.868 -0.037 0.000 0.891 443 T HN 0.146 nan 8.240 nan 0.000 0.492 444 L N 0.672 121.869 121.223 -0.043 0.000 2.141 444 L HA 0.085 4.425 4.340 0.001 0.000 0.209 444 L C 3.146 179.981 176.870 -0.058 0.000 1.094 444 L CA 1.192 56.002 54.840 -0.050 0.000 0.763 444 L CB -0.520 41.512 42.059 -0.045 0.000 0.908 444 L HN 0.388 nan 8.230 nan 0.000 0.437 445 A N -0.713 122.078 122.820 -0.049 0.000 2.016 445 A HA -0.131 4.189 4.320 0.001 0.000 0.217 445 A C 2.119 179.676 177.584 -0.046 0.000 1.162 445 A CA 0.859 52.867 52.037 -0.048 0.000 0.662 445 A CB -0.236 18.742 19.000 -0.037 0.000 0.812 445 A HN 0.382 nan 8.150 nan 0.000 0.450 446 E N 0.215 120.390 120.200 -0.042 0.000 2.110 446 E HA -0.155 4.195 4.350 0.001 0.000 0.193 446 E C 1.067 177.643 176.600 -0.041 0.000 0.988 446 E CA 1.167 57.544 56.400 -0.037 0.000 0.804 446 E CB -0.090 29.590 29.700 -0.034 0.000 0.745 446 E HN 0.527 nan 8.360 nan 0.000 0.458 447 N N -0.334 118.337 118.700 -0.049 0.000 2.373 447 N HA 0.051 4.792 4.740 0.001 0.000 0.181 447 N C 1.204 176.672 175.510 -0.070 0.000 1.082 447 N CA 0.556 53.574 53.050 -0.053 0.000 0.885 447 N CB 0.503 38.958 38.487 -0.052 0.000 0.977 447 N HN 0.067 nan 8.380 nan 0.000 0.462 448 A N 0.082 122.854 122.820 -0.080 0.000 1.903 448 A HA 0.375 4.696 4.320 0.001 0.000 0.213 448 A C 1.713 179.250 177.584 -0.078 0.000 1.185 448 A CA 1.719 53.694 52.037 -0.105 0.000 0.628 448 A CB -0.205 18.725 19.000 -0.115 0.000 0.830 448 A HN 0.315 nan 8.150 nan 0.000 0.446 449 G N -2.451 106.316 108.800 -0.056 0.000 2.380 449 G HA2 -0.094 3.866 3.960 0.001 0.000 0.197 449 G HA3 -0.094 3.866 3.960 0.001 0.000 0.197 449 G C 0.040 174.920 174.900 -0.033 0.000 1.001 449 G CA -0.014 45.062 45.100 -0.041 0.000 0.668 449 G HN 0.350 nan 8.290 nan 0.000 0.483 450 L N 1.669 122.870 121.223 -0.037 0.000 2.466 450 L HA 0.582 4.923 4.340 0.001 0.000 0.257 450 L C 0.610 177.465 176.870 -0.025 0.000 1.189 450 L CA -0.367 54.456 54.840 -0.028 0.000 0.813 450 L CB 0.544 42.586 42.059 -0.029 0.000 1.118 450 L HN 0.202 nan 8.230 nan 0.000 0.471 451 D N 0.170 120.559 120.400 -0.019 0.000 2.425 451 D HA 0.246 4.887 4.640 0.001 0.000 0.247 451 D C 0.517 176.806 176.300 -0.019 0.000 1.147 451 D CA 0.371 54.361 54.000 -0.017 0.000 0.879 451 D CB 1.372 42.164 40.800 -0.013 0.000 1.179 451 D HN 0.584 nan 8.370 nan 0.000 0.456 452 A N 3.731 126.538 122.820 -0.020 0.000 2.208 452 A HA 0.055 4.375 4.320 0.001 0.000 0.209 452 A C 1.798 179.370 177.584 -0.019 0.000 1.161 452 A CA 0.406 52.430 52.037 -0.022 0.000 0.782 452 A CB -0.376 18.609 19.000 -0.025 0.000 0.816 452 A HN 0.723 nan 8.150 nan 0.000 0.477 453 I N -1.625 118.936 120.570 -0.015 0.000 3.081 453 I HA 0.020 4.190 4.170 0.001 0.000 0.274 453 I C 2.220 178.332 176.117 -0.010 0.000 1.178 453 I CA 0.917 62.209 61.300 -0.013 0.000 1.460 453 I CB 0.015 38.008 38.000 -0.011 0.000 1.137 453 I HN 0.238 nan 8.210 nan 0.000 0.443 454 E N 2.004 122.199 120.200 -0.009 0.000 2.051 454 E HA -0.058 4.293 4.350 0.001 0.000 0.189 454 E C 2.080 178.678 176.600 -0.004 0.000 0.979 454 E CA 1.369 57.766 56.400 -0.005 0.000 0.803 454 E CB -0.119 29.578 29.700 -0.005 0.000 0.761 454 E HN 0.423 nan 8.360 nan 0.000 0.451 455 I N 0.343 120.909 120.570 -0.006 0.000 2.394 455 I HA -0.152 4.019 4.170 0.001 0.000 0.251 455 I C 2.113 178.228 176.117 -0.002 0.000 1.136 455 I CA 0.331 61.629 61.300 -0.003 0.000 1.425 455 I CB -0.182 37.814 38.000 -0.007 0.000 1.079 455 I HN 0.143 nan 8.210 nan 0.000 0.425 456 L N 0.368 121.585 121.223 -0.009 0.000 2.265 456 L HA -0.139 4.202 4.340 0.001 0.000 0.215 456 L C 2.117 178.983 176.870 -0.008 0.000 1.117 456 L CA 1.535 56.366 54.840 -0.014 0.000 0.782 456 L CB -0.170 41.878 42.059 -0.019 0.000 0.914 456 L HN 0.021 nan 8.230 nan 0.000 0.441 457 V N -1.802 118.112 119.914 -0.001 0.000 2.685 457 V HA -0.094 4.026 4.120 0.001 0.000 0.244 457 V C 2.347 178.450 176.094 0.015 0.000 1.054 457 V CA 0.956 63.259 62.300 0.005 0.000 1.076 457 V CB -0.374 31.451 31.823 0.003 0.000 0.725 457 V HN 0.312 nan 8.190 nan 0.000 0.467 458 K N 0.358 120.767 120.400 0.015 0.000 2.057 458 K HA -0.120 4.200 4.320 0.001 0.000 0.207 458 K C 2.047 178.672 176.600 0.042 0.000 1.049 458 K CA 1.542 57.843 56.287 0.023 0.000 0.931 458 K CB -0.273 32.237 32.500 0.017 0.000 0.714 458 K HN 0.343 nan 8.250 nan 0.000 0.440 459 V N 0.911 120.855 119.914 0.050 0.000 2.488 459 V HA -0.147 3.973 4.120 0.001 0.000 0.246 459 V C 2.282 178.460 176.094 0.139 0.000 1.046 459 V CA 1.313 63.675 62.300 0.103 0.000 1.053 459 V CB -0.469 31.401 31.823 0.079 0.000 0.679 459 V HN 0.278 nan 8.190 nan 0.000 0.458 460 R N 0.459 120.992 120.500 0.056 0.000 2.096 460 R HA -0.137 4.203 4.340 0.001 0.000 0.235 460 R C 2.196 178.540 176.300 0.073 0.000 1.127 460 R CA 1.614 57.736 56.100 0.036 0.000 0.968 460 R CB -0.318 29.984 30.300 0.003 0.000 0.861 460 R HN 0.505 nan 8.270 nan 0.000 0.440 461 A N -0.051 122.805 122.820 0.060 0.000 2.067 461 A HA 0.096 4.416 4.320 0.001 0.000 0.217 461 A C 1.894 179.513 177.584 0.058 0.000 1.156 461 A CA 1.099 53.167 52.037 0.050 0.000 0.683 461 A CB -0.100 18.918 19.000 0.031 0.000 0.808 461 A HN 0.428 nan 8.150 nan 0.000 0.455 462 A N -2.134 120.732 122.820 0.077 0.000 2.278 462 A HA 0.137 4.457 4.320 0.001 0.000 0.212 462 A C 1.521 179.105 177.584 0.000 0.000 1.213 462 A CA 0.369 52.429 52.037 0.039 0.000 0.840 462 A CB -0.568 18.451 19.000 0.031 0.000 0.866 462 A HN 0.631 nan 8.150 nan 0.000 0.489 463 H N -1.092 117.979 119.070 0.003 0.000 2.750 463 H HA 0.346 4.902 4.556 0.001 0.000 0.263 463 H C 1.298 176.628 175.328 0.005 0.000 0.964 463 H CA 0.524 56.574 56.048 0.004 0.000 1.205 463 H CB 0.413 30.177 29.762 0.003 0.000 1.454 463 H HN 0.529 nan 8.280 nan 0.000 0.503 464 A N 1.325 124.207 122.820 0.102 0.000 2.475 464 A HA 0.220 4.540 4.320 0.001 0.000 0.239 464 A C 1.454 179.058 177.584 0.034 0.000 1.087 464 A CA 0.903 52.977 52.037 0.061 0.000 0.779 464 A CB 0.200 19.227 19.000 0.045 0.000 1.036 464 A HN 0.661 nan 8.150 nan 0.000 0.506 465 S N 1.064 116.781 115.700 0.029 0.000 4.159 465 S HA -0.370 4.100 4.470 0.001 0.000 0.538 465 S C 1.037 175.645 174.600 0.014 0.000 1.856 465 S CA 2.202 60.413 58.200 0.018 0.000 4.240 465 S CB -1.599 61.607 63.200 0.010 0.000 0.335 465 S HN 0.997 nan 8.310 nan 0.000 0.455 466 N N 2.424 121.125 118.700 0.001 0.000 3.039 466 N HA 0.437 5.178 4.740 0.001 0.000 0.231 466 N C 0.878 176.371 175.510 -0.029 0.000 1.053 466 N CA 0.819 53.864 53.050 -0.007 0.000 1.191 466 N CB -0.944 37.538 38.487 -0.009 0.000 1.597 466 N HN 0.971 nan 8.380 nan 0.000 0.585 467 G N 0.315 109.087 108.800 -0.046 0.000 2.527 467 G HA2 0.105 4.065 3.960 0.001 0.000 0.248 467 G HA3 0.105 4.065 3.960 0.001 0.000 0.248 467 G C 0.374 175.179 174.900 -0.159 0.000 1.231 467 G CA -0.136 44.912 45.100 -0.087 0.000 0.838 467 G HN 0.209 nan 8.290 nan 0.000 0.570 468 N N -0.341 118.177 118.700 -0.303 0.000 2.454 468 N HA 0.027 4.767 4.740 0.001 0.000 0.177 468 N C 1.536 176.921 175.510 -0.208 0.000 1.049 468 N CA 0.415 53.329 53.050 -0.227 0.000 0.887 468 N CB 0.199 38.563 38.487 -0.205 0.000 1.095 468 N HN 0.818 nan 8.380 nan 0.000 0.446 469 K N -1.053 119.142 120.400 -0.342 0.000 3.483 469 K HA -0.223 4.098 4.320 0.001 0.000 0.288 469 K C 0.379 176.982 176.600 0.005 0.000 0.894 469 K CA 1.338 57.578 56.287 -0.078 0.000 1.245 469 K CB -1.577 30.918 32.500 -0.008 0.000 1.368 469 K HN 0.311 nan 8.250 nan 0.000 0.477 470 c N 1.505 120.062 118.600 -0.070 0.000 3.000 470 c HA 0.638 5.208 4.570 0.001 0.000 0.286 470 c C 0.696 174.783 174.090 -0.004 0.000 1.343 470 c CA 0.217 56.543 56.329 -0.006 0.000 1.742 470 c CB -0.801 41.702 42.510 -0.011 0.000 2.200 470 c HN 0.451 nan 8.230 nan 0.000 0.621 471 A N 0.713 123.497 122.820 -0.059 0.000 2.409 471 A HA 0.659 4.980 4.320 0.001 0.000 0.267 471 A C 0.503 178.173 177.584 0.144 0.000 1.127 471 A CA 0.641 52.678 52.037 0.001 0.000 0.795 471 A CB 0.031 18.970 19.000 -0.101 0.000 1.061 471 A HN 0.783 nan 8.150 nan 0.000 0.502 472 G N 0.317 109.168 108.800 0.085 0.000 2.727 472 G HA2 0.535 4.495 3.960 0.001 0.000 0.289 472 G HA3 0.535 4.495 3.960 0.001 0.000 0.289 472 G C -1.547 173.382 174.900 0.048 0.000 1.418 472 G CA -0.699 44.447 45.100 0.077 0.000 0.818 472 G HN 0.997 nan 8.290 nan 0.000 0.486 473 L N 0.814 122.056 121.223 0.032 0.000 2.265 473 L HA 0.595 4.936 4.340 0.001 0.000 0.288 473 L C -0.410 176.469 176.870 0.017 0.000 1.058 473 L CA -0.900 53.950 54.840 0.016 0.000 0.809 473 L CB 1.145 43.203 42.059 -0.002 0.000 1.179 473 L HN 0.417 nan 8.230 nan 0.000 0.429 474 N N 3.239 121.956 118.700 0.028 0.000 2.457 474 N HA 0.172 4.912 4.740 0.001 0.000 0.250 474 N C 0.907 176.420 175.510 0.006 0.000 0.982 474 N CA -0.184 52.898 53.050 0.053 0.000 0.941 474 N CB 1.414 39.958 38.487 0.096 0.000 1.120 474 N HN 0.536 nan 8.380 nan 0.000 0.505 475 V N 1.883 121.734 119.914 -0.104 0.000 2.759 475 V HA -0.057 4.064 4.120 0.001 0.000 0.256 475 V C 1.325 177.236 176.094 -0.305 0.000 1.080 475 V CA 1.338 63.479 62.300 -0.266 0.000 1.101 475 V CB -1.053 30.509 31.823 -0.433 0.000 0.698 475 V HN 0.410 nan 8.190 nan 0.000 0.477 476 F N 1.544 121.494 119.950 0.001 0.000 2.219 476 F HA 0.058 4.586 4.527 0.000 0.000 0.294 476 F C 2.638 178.439 175.800 0.001 0.000 1.086 476 F CA 1.644 59.644 58.000 0.000 0.000 1.330 476 F CB -1.135 37.865 39.000 0.000 0.000 1.047 476 F HN 0.061 nan 8.300 nan 0.000 0.495 477 T N -1.216 113.448 114.554 0.183 0.000 2.851 477 T HA 0.217 4.568 4.350 0.001 0.000 0.262 477 T C 2.066 176.799 174.700 0.054 0.000 1.043 477 T CA 1.422 63.583 62.100 0.101 0.000 1.140 477 T CB -0.631 68.287 68.868 0.083 0.000 0.872 477 T HN 0.486 nan 8.240 nan 0.000 0.446 478 G N 1.437 110.256 108.800 0.032 0.000 2.490 478 G HA2 -0.100 3.861 3.960 0.001 0.000 0.214 478 G HA3 -0.100 3.861 3.960 0.001 0.000 0.214 478 G C 0.399 175.304 174.900 0.009 0.000 1.151 478 G CA -0.015 45.090 45.100 0.008 0.000 0.684 478 G HN 0.928 nan 8.290 nan 0.000 0.518 479 A N 0.482 123.313 122.820 0.018 0.000 2.332 479 A HA 0.704 5.024 4.320 0.001 0.000 0.258 479 A C 0.799 178.394 177.584 0.020 0.000 1.087 479 A CA 0.578 52.625 52.037 0.016 0.000 0.802 479 A CB 1.182 20.191 19.000 0.017 0.000 1.042 479 A HN 1.775 nan 8.150 nan 0.000 0.489 480 V N 1.561 121.486 119.914 0.019 0.000 2.485 480 V HA 0.230 4.351 4.120 0.001 0.000 0.287 480 V C 0.120 176.227 176.094 0.022 0.000 1.022 480 V CA 0.616 62.930 62.300 0.024 0.000 1.067 480 V CB -0.142 31.698 31.823 0.028 0.000 0.967 480 V HN 0.923 nan 8.190 nan 0.000 0.479 481 E N 4.127 124.343 120.200 0.026 0.000 2.359 481 E HA 0.332 4.682 4.350 0.001 0.000 0.266 481 E C -1.187 175.424 176.600 0.018 0.000 0.920 481 E CA -0.900 55.513 56.400 0.022 0.000 0.788 481 E CB 1.627 31.345 29.700 0.029 0.000 1.279 481 E HN 0.708 nan 8.360 nan 0.000 0.438 482 D N 2.140 122.545 120.400 0.009 0.000 2.339 482 D HA 0.027 4.668 4.640 0.001 0.000 0.256 482 D C 0.703 177.010 176.300 0.013 0.000 1.214 482 D CA 0.097 54.098 54.000 0.002 0.000 0.877 482 D CB 0.833 41.629 40.800 -0.008 0.000 1.111 482 D HN 0.352 nan 8.370 nan 0.000 0.478 483 M N 2.666 122.278 119.600 0.019 0.000 2.476 483 M HA -0.094 4.386 4.480 0.001 0.000 0.262 483 M C 2.084 178.395 176.300 0.019 0.000 1.079 483 M CA 0.329 55.645 55.300 0.026 0.000 1.104 483 M CB -0.584 32.036 32.600 0.034 0.000 1.409 483 M HN 0.507 nan 8.290 nan 0.000 0.467 484 c N 0.549 119.155 118.600 0.011 0.000 2.450 484 c HA -0.094 4.477 4.570 0.001 0.000 0.279 484 c C 2.405 176.498 174.090 0.006 0.000 1.335 484 c CA 0.748 57.082 56.329 0.007 0.000 1.749 484 c CB -0.786 41.725 42.510 0.002 0.000 1.963 484 c HN 0.558 nan 8.230 nan 0.000 0.501 485 E N 0.585 120.788 120.200 0.005 0.000 2.385 485 E HA -0.039 4.311 4.350 0.001 0.000 0.194 485 E C 1.414 178.017 176.600 0.006 0.000 1.013 485 E CA 0.408 56.810 56.400 0.003 0.000 0.866 485 E CB -0.052 29.649 29.700 0.001 0.000 0.832 485 E HN 0.572 nan 8.360 nan 0.000 0.500 486 N N -0.076 118.631 118.700 0.012 0.000 2.376 486 N HA -0.003 4.738 4.740 0.001 0.000 0.177 486 N C 1.004 176.521 175.510 0.012 0.000 1.024 486 N CA 1.107 54.166 53.050 0.015 0.000 0.893 486 N CB 0.646 39.151 38.487 0.029 0.000 0.980 486 N HN 0.243 nan 8.380 nan 0.000 0.439 487 G N -0.892 107.915 108.800 0.012 0.000 2.134 487 G HA2 -0.221 3.740 3.960 0.001 0.000 0.209 487 G HA3 -0.221 3.740 3.960 0.001 0.000 0.209 487 G C -0.459 174.451 174.900 0.017 0.000 0.993 487 G CA 0.051 45.157 45.100 0.010 0.000 0.669 487 G HN 0.147 nan 8.290 nan 0.000 0.519 488 V N 1.623 121.552 119.914 0.025 0.000 2.284 488 V HA 0.563 4.684 4.120 0.001 0.000 0.260 488 V C 0.618 176.727 176.094 0.025 0.000 1.084 488 V CA -0.089 62.230 62.300 0.032 0.000 0.894 488 V CB 0.845 32.695 31.823 0.046 0.000 1.119 488 V HN 1.052 nan 8.190 nan 0.000 0.484 489 V N 2.204 122.130 119.914 0.020 0.000 2.789 489 V HA 0.863 4.983 4.120 0.001 0.000 0.311 489 V C -0.644 175.459 176.094 0.014 0.000 1.073 489 V CA -0.844 61.466 62.300 0.016 0.000 0.921 489 V CB 2.083 33.913 31.823 0.012 0.000 1.009 489 V HN 0.839 nan 8.190 nan 0.000 0.426 490 E N 3.338 123.546 120.200 0.013 0.000 2.317 490 E HA 0.702 5.053 4.350 0.001 0.000 0.270 490 E C -3.158 173.447 176.600 0.008 0.000 0.885 490 E CA -2.531 53.876 56.400 0.011 0.000 0.760 490 E CB 2.392 32.099 29.700 0.011 0.000 1.227 490 E HN 0.435 nan 8.360 nan 0.000 0.434 491 P HA -0.073 nan 4.420 nan 0.000 0.268 491 P C 0.362 177.665 177.300 0.005 0.000 1.208 491 P CA -0.358 62.745 63.100 0.005 0.000 0.777 491 P CB 0.506 32.208 31.700 0.004 0.000 0.875 492 L N 2.926 124.152 121.223 0.004 0.000 2.201 492 L HA -0.080 4.260 4.340 0.001 0.000 0.212 492 L C 2.195 179.067 176.870 0.004 0.000 1.105 492 L CA 1.712 56.554 54.840 0.004 0.000 0.775 492 L CB -0.711 41.350 42.059 0.003 0.000 0.913 492 L HN 0.280 nan 8.230 nan 0.000 0.440 493 R N -1.247 119.255 120.500 0.004 0.000 2.148 493 R HA -0.080 4.260 4.340 0.001 0.000 0.227 493 R C 1.942 178.245 176.300 0.004 0.000 1.103 493 R CA 1.249 57.351 56.100 0.004 0.000 0.983 493 R CB -0.053 30.249 30.300 0.003 0.000 0.874 493 R HN 0.361 nan 8.270 nan 0.000 0.451 494 V N 1.005 120.922 119.914 0.004 0.000 2.515 494 V HA -0.200 3.921 4.120 0.001 0.000 0.250 494 V C 2.089 178.185 176.094 0.002 0.000 1.058 494 V CA 1.576 63.878 62.300 0.003 0.000 1.064 494 V CB -0.261 31.564 31.823 0.004 0.000 0.675 494 V HN 0.219 nan 8.190 nan 0.000 0.461 495 K N 0.272 120.673 120.400 0.003 0.000 2.202 495 K HA 0.030 4.351 4.320 0.001 0.000 0.201 495 K C 2.342 178.945 176.600 0.006 0.000 1.051 495 K CA 1.485 57.773 56.287 0.002 0.000 0.977 495 K CB -0.650 31.851 32.500 0.001 0.000 0.792 495 K HN 0.664 nan 8.250 nan 0.000 0.469 496 T N -0.267 114.292 114.554 0.008 0.000 2.812 496 T HA -0.161 4.189 4.350 0.001 0.000 0.264 496 T C 2.081 176.790 174.700 0.015 0.000 1.042 496 T CA 1.201 63.307 62.100 0.011 0.000 1.140 496 T CB -0.101 68.771 68.868 0.007 0.000 0.870 496 T HN 0.026 nan 8.240 nan 0.000 0.445 497 Q N 2.004 121.812 119.800 0.012 0.000 2.079 497 Q HA 0.206 4.546 4.340 0.001 0.000 0.200 497 Q C 2.415 178.425 176.000 0.016 0.000 0.974 497 Q CA 1.740 57.551 55.803 0.014 0.000 0.840 497 Q CB -0.940 27.804 28.738 0.010 0.000 0.898 497 Q HN 0.609 nan 8.270 nan 0.000 0.430 498 A N 0.129 122.956 122.820 0.011 0.000 1.933 498 A HA -0.116 4.204 4.320 0.001 0.000 0.218 498 A C 2.083 179.674 177.584 0.012 0.000 1.175 498 A CA 1.469 53.510 52.037 0.007 0.000 0.628 498 A CB -0.632 18.367 19.000 -0.002 0.000 0.814 498 A HN 0.493 nan 8.150 nan 0.000 0.444 499 I N -1.424 119.159 120.570 0.021 0.000 2.277 499 I HA -0.197 3.973 4.170 0.001 0.000 0.243 499 I C 2.693 178.857 176.117 0.078 0.000 1.094 499 I CA 1.484 62.811 61.300 0.044 0.000 1.393 499 I CB -0.206 37.831 38.000 0.061 0.000 1.078 499 I HN 0.313 nan 8.210 nan 0.000 0.417 500 Q N 0.934 120.771 119.800 0.062 0.000 2.167 500 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 500 Q C 2.313 178.348 176.000 0.059 0.000 0.970 500 Q CA 2.116 57.957 55.803 0.064 0.000 0.855 500 Q CB -0.164 28.598 28.738 0.041 0.000 0.911 500 Q HN 0.573 nan 8.270 nan 0.000 0.438 501 S N -1.151 114.576 115.700 0.044 0.000 2.406 501 S HA 0.039 4.509 4.470 0.001 0.000 0.228 501 S C 1.977 176.603 174.600 0.043 0.000 1.020 501 S CA 0.687 58.909 58.200 0.037 0.000 0.965 501 S CB -0.267 62.948 63.200 0.025 0.000 0.798 501 S HN 0.390 nan 8.310 nan 0.000 0.488 502 A N 1.613 124.461 122.820 0.046 0.000 1.975 502 A HA 0.600 4.921 4.320 0.001 0.000 0.215 502 A C 2.416 180.054 177.584 0.090 0.000 1.170 502 A CA 1.053 53.117 52.037 0.046 0.000 0.656 502 A CB -1.153 17.855 19.000 0.013 0.000 0.821 502 A HN 0.720 nan 8.150 nan 0.000 0.449 503 A N 0.142 123.044 122.820 0.136 0.000 1.872 503 A HA -0.123 4.198 4.320 0.001 0.000 0.214 503 A C 1.883 179.572 177.584 0.176 0.000 1.187 503 A CA 1.520 53.697 52.037 0.233 0.000 0.614 503 A CB -0.512 18.667 19.000 0.298 0.000 0.826 503 A HN 0.566 nan 8.150 nan 0.000 0.442 504 E N 0.318 120.587 120.200 0.115 0.000 2.153 504 E HA -0.144 4.206 4.350 0.001 0.000 0.194 504 E C 2.344 178.985 176.600 0.067 0.000 0.988 504 E CA 1.326 57.775 56.400 0.082 0.000 0.811 504 E CB -0.131 29.604 29.700 0.058 0.000 0.746 504 E HN 0.810 nan 8.360 nan 0.000 0.466 505 S N 0.461 116.200 115.700 0.065 0.000 2.371 505 S HA -0.136 4.334 4.470 0.001 0.000 0.224 505 S C 2.296 176.925 174.600 0.049 0.000 1.029 505 S CA 1.456 59.685 58.200 0.048 0.000 0.978 505 S CB -0.732 62.492 63.200 0.039 0.000 0.833 505 S HN 0.311 nan 8.310 nan 0.000 0.466 506 T N 0.262 114.859 114.554 0.072 0.000 2.951 506 T HA 0.070 4.421 4.350 0.001 0.000 0.268 506 T C 1.638 176.361 174.700 0.039 0.000 1.073 506 T CA 1.089 63.228 62.100 0.065 0.000 1.134 506 T CB -0.525 68.416 68.868 0.121 0.000 0.884 506 T HN 0.518 nan 8.240 nan 0.000 0.479 507 E N 0.560 120.803 120.200 0.071 0.000 2.106 507 E HA -0.021 4.329 4.350 0.001 0.000 0.192 507 E C 2.105 178.712 176.600 0.013 0.000 0.984 507 E CA 1.026 57.450 56.400 0.040 0.000 0.806 507 E CB -0.230 29.516 29.700 0.077 0.000 0.750 507 E HN 0.497 nan 8.360 nan 0.000 0.458 508 M N 0.418 120.032 119.600 0.023 0.000 2.200 508 M HA -0.094 4.386 4.480 0.001 0.000 0.265 508 M C 1.933 178.235 176.300 0.005 0.000 1.066 508 M CA 1.094 56.403 55.300 0.015 0.000 1.127 508 M CB 0.186 32.799 32.600 0.021 0.000 1.379 508 M HN 0.096 nan 8.290 nan 0.000 0.420 509 L N -0.004 121.220 121.223 0.003 0.000 2.201 509 L HA -0.148 4.192 4.340 0.001 0.000 0.212 509 L C 1.933 178.788 176.870 -0.025 0.000 1.105 509 L CA 0.737 55.574 54.840 -0.005 0.000 0.775 509 L CB -0.316 41.742 42.059 -0.002 0.000 0.913 509 L HN 0.338 nan 8.230 nan 0.000 0.440 510 L N -0.764 120.432 121.223 -0.045 0.000 2.599 510 L HA -0.026 4.314 4.340 0.001 0.000 0.230 510 L C 1.689 178.522 176.870 -0.061 0.000 1.141 510 L CA 0.403 55.198 54.840 -0.075 0.000 0.877 510 L CB -0.141 41.839 42.059 -0.131 0.000 1.009 510 L HN 0.131 nan 8.230 nan 0.000 0.447 511 R N -0.120 120.360 120.500 -0.033 0.000 2.515 511 R HA 0.319 4.659 4.340 0.001 0.000 0.294 511 R C -0.353 175.941 176.300 -0.010 0.000 1.021 511 R CA -0.056 56.033 56.100 -0.018 0.000 1.081 511 R CB 0.252 30.550 30.300 -0.003 0.000 1.263 511 R HN 0.214 nan 8.270 nan 0.000 0.557 512 I N 1.051 121.612 120.570 -0.014 0.000 2.406 512 I HA 0.130 4.300 4.170 0.001 0.000 0.290 512 I C 0.372 176.487 176.117 -0.005 0.000 0.999 512 I CA -0.355 60.944 61.300 -0.001 0.000 1.124 512 I CB 1.773 39.779 38.000 0.009 0.000 1.289 512 I HN 0.092 nan 8.210 nan 0.000 0.441 513 D N 2.850 123.253 120.400 0.005 0.000 2.502 513 D HA 0.083 4.724 4.640 0.001 0.000 0.232 513 D C -0.086 176.231 176.300 0.029 0.000 1.137 513 D CA 0.112 54.117 54.000 0.007 0.000 0.827 513 D CB 1.069 41.868 40.800 -0.002 0.000 1.141 513 D HN 0.383 nan 8.370 nan 0.000 0.517 514 D N 0.730 121.151 120.400 0.035 0.000 2.896 514 D HA 0.331 4.971 4.640 0.001 0.000 0.241 514 D C -1.275 175.057 176.300 0.053 0.000 1.188 514 D CA -0.517 53.511 54.000 0.046 0.000 0.879 514 D CB 3.207 44.024 40.800 0.028 0.000 1.553 514 D HN -0.245 nan 8.370 nan 0.000 0.515 515 V N 4.889 124.851 119.914 0.080 0.000 2.409 515 V HA 0.460 4.580 4.120 0.001 0.000 0.291 515 V C 0.187 176.304 176.094 0.038 0.000 1.020 515 V CA -0.648 61.702 62.300 0.082 0.000 0.848 515 V CB 1.552 33.475 31.823 0.166 0.000 0.990 515 V HN 0.420 nan 8.190 nan 0.000 0.430 516 I N 4.406 124.984 120.570 0.015 0.000 2.359 516 I HA 0.707 4.877 4.170 0.001 0.000 0.284 516 I C 0.248 176.357 176.117 -0.015 0.000 1.018 516 I CA -0.348 60.946 61.300 -0.011 0.000 1.173 516 I CB 1.538 39.532 38.000 -0.010 0.000 1.326 516 I HN 0.662 nan 8.210 nan 0.000 0.462 517 A N 5.485 128.287 122.820 -0.030 0.000 2.409 517 A HA 0.853 5.173 4.320 0.001 0.000 0.300 517 A C 0.031 177.591 177.584 -0.040 0.000 1.273 517 A CA -0.445 51.573 52.037 -0.032 0.000 0.774 517 A CB 0.770 19.749 19.000 -0.034 0.000 1.144 517 A HN 0.732 nan 8.150 nan 0.000 0.472 518 A N 1.534 124.336 122.820 -0.031 0.000 2.259 518 A HA 0.737 5.057 4.320 0.001 0.000 0.278 518 A C 0.627 178.195 177.584 -0.026 0.000 1.107 518 A CA 0.547 52.567 52.037 -0.029 0.000 0.828 518 A CB 0.080 19.066 19.000 -0.022 0.000 1.111 518 A HN 1.427 nan 8.150 nan 0.000 0.498 519 E N 0.000 120.186 120.200 -0.023 0.000 2.725 519 E HA 0.000 4.350 4.350 0.001 0.000 0.291 519 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 519 E CB 0.000 29.691 29.700 -0.015 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440