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_C 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 38.469 38.487 -0.029 0.000 1.341 12 M N 0.467 120.034 119.600 -0.054 0.000 2.532 12 M HA 0.244 4.724 4.480 -0.000 0.000 0.244 12 M C -0.282 175.962 176.300 -0.092 0.000 1.390 12 M CA 0.576 55.840 55.300 -0.061 0.000 1.132 12 M CB 0.705 33.276 32.600 -0.047 0.000 1.466 12 M HN 0.260 nan 8.290 nan 0.000 0.550 13 K N 0.951 121.282 120.400 -0.115 0.000 2.471 13 K HA 0.582 4.902 4.320 -0.000 0.000 0.252 13 K C -1.021 175.433 176.600 -0.243 0.000 0.938 13 K CA -0.480 55.687 56.287 -0.200 0.000 0.796 13 K CB 3.029 35.424 32.500 -0.175 0.000 1.161 13 K HN -0.017 nan 8.250 nan 0.000 0.425 14 R N 2.817 123.092 120.500 -0.374 0.000 2.566 14 R HA 0.329 4.669 4.340 -0.000 0.000 0.271 14 R C -1.718 174.317 176.300 -0.443 0.000 1.071 14 R CA -0.648 55.272 56.100 -0.301 0.000 0.915 14 R CB 1.213 31.432 30.300 -0.135 0.000 1.228 14 R HN 0.521 nan 8.270 nan 0.000 0.449 15 Y N 2.823 123.122 120.300 -0.002 0.000 2.409 15 Y HA 0.464 5.014 4.550 -0.000 0.000 0.339 15 Y C 0.304 176.204 175.900 0.001 0.000 1.033 15 Y CA -0.986 57.115 58.100 0.002 0.000 1.094 15 Y CB 1.953 40.418 38.460 0.009 0.000 1.210 15 Y HN 0.204 nan 8.280 nan 0.000 0.456 16 M N 2.699 122.387 119.600 0.147 0.000 2.088 16 M HA 0.275 4.754 4.480 -0.000 0.000 0.346 16 M C 1.048 177.387 176.300 0.066 0.000 1.111 16 M CA -0.032 55.315 55.300 0.078 0.000 1.017 16 M CB 0.489 33.117 32.600 0.047 0.000 1.568 16 M HN 1.034 nan 8.290 nan 0.000 0.445 17 G N 4.851 113.680 108.800 0.048 0.000 3.284 17 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.351 17 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.351 17 G C 1.214 176.123 174.900 0.015 0.000 1.232 17 G CA 1.111 46.225 45.100 0.025 0.000 1.001 17 G HN 0.685 nan 8.290 nan 0.000 0.639 18 R N 0.669 121.176 120.500 0.012 0.000 2.148 18 R HA 0.073 4.413 4.340 -0.000 0.000 0.227 18 R C 1.974 178.273 176.300 -0.002 0.000 1.103 18 R CA 1.360 57.459 56.100 -0.002 0.000 0.983 18 R CB -0.206 30.094 30.300 -0.000 0.000 0.874 18 R HN 0.494 nan 8.270 nan 0.000 0.451 19 D N -0.004 120.411 120.400 0.026 0.000 2.347 19 D HA 0.012 4.652 4.640 -0.000 0.000 0.213 19 D C 1.372 177.660 176.300 -0.019 0.000 0.985 19 D CA 0.796 54.810 54.000 0.024 0.000 0.879 19 D CB 0.368 41.236 40.800 0.114 0.000 0.919 19 D HN 0.268 nan 8.370 nan 0.000 0.526 20 A N 0.354 123.193 122.820 0.031 0.000 1.973 20 A HA -0.026 4.293 4.320 -0.000 0.000 0.210 20 A C 2.073 179.642 177.584 -0.025 0.000 1.200 20 A CA 0.363 52.417 52.037 0.028 0.000 0.707 20 A CB -0.103 18.958 19.000 0.101 0.000 0.862 20 A HN 0.036 nan 8.150 nan 0.000 0.461 21 Q N -0.609 119.175 119.800 -0.027 0.000 2.079 21 Q HA -0.091 4.248 4.340 -0.000 0.000 0.200 21 Q C 2.275 178.240 176.000 -0.059 0.000 0.974 21 Q CA 1.505 57.283 55.803 -0.042 0.000 0.840 21 Q CB -0.120 28.590 28.738 -0.047 0.000 0.898 21 Q HN 0.607 nan 8.270 nan 0.000 0.430 22 R N -0.078 120.381 120.500 -0.067 0.000 2.148 22 R HA -0.069 4.271 4.340 -0.000 0.000 0.223 22 R C 2.028 178.262 176.300 -0.111 0.000 1.088 22 R CA 0.775 56.828 56.100 -0.079 0.000 0.985 22 R CB 0.057 30.316 30.300 -0.068 0.000 0.880 22 R HN 0.173 nan 8.270 nan 0.000 0.451 23 M N 0.619 120.129 119.600 -0.150 0.000 2.200 23 M HA -0.047 4.433 4.480 -0.000 0.000 0.265 23 M C 1.092 177.320 176.300 -0.119 0.000 1.066 23 M CA 1.680 56.861 55.300 -0.198 0.000 1.127 23 M CB 0.023 32.385 32.600 -0.396 0.000 1.379 23 M HN 0.053 nan 8.290 nan 0.000 0.420 24 N N -0.207 118.454 118.700 -0.065 0.000 2.250 24 N HA 0.073 4.813 4.740 -0.000 0.000 0.181 24 N C 1.643 177.115 175.510 -0.064 0.000 1.017 24 N CA 1.292 54.327 53.050 -0.025 0.000 0.866 24 N CB -0.290 38.200 38.487 0.005 0.000 0.985 24 N HN 0.393 nan 8.380 nan 0.000 0.429 25 I N 0.295 120.823 120.570 -0.071 0.000 2.286 25 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 25 I C 2.109 178.175 176.117 -0.085 0.000 1.104 25 I CA 0.607 61.867 61.300 -0.067 0.000 1.397 25 I CB -0.061 37.904 38.000 -0.058 0.000 1.072 25 I HN 0.077 nan 8.210 nan 0.000 0.417 26 L N 0.567 121.724 121.223 -0.109 0.000 2.141 26 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 26 L C 2.625 179.397 176.870 -0.164 0.000 1.094 26 L CA 1.403 56.170 54.840 -0.121 0.000 0.763 26 L CB -0.236 41.748 42.059 -0.124 0.000 0.908 26 L HN 0.208 nan 8.230 nan 0.000 0.437 27 A N -0.660 122.014 122.820 -0.242 0.000 1.968 27 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 27 A C 2.226 179.703 177.584 -0.178 0.000 1.169 27 A CA 1.305 53.139 52.037 -0.340 0.000 0.638 27 A CB -1.073 17.520 19.000 -0.677 0.000 0.812 27 A HN 0.502 nan 8.150 nan 0.000 0.446 28 G N -0.924 107.807 108.800 -0.115 0.000 2.430 28 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.216 28 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.216 28 G C 1.742 176.607 174.900 -0.058 0.000 1.146 28 G CA 0.532 45.593 45.100 -0.065 0.000 0.793 28 G HN 0.512 nan 8.290 nan 0.000 0.537 29 R N -0.519 119.941 120.500 -0.066 0.000 2.119 29 R HA 0.241 4.580 4.340 -0.000 0.000 0.222 29 R C 2.338 178.604 176.300 -0.055 0.000 1.088 29 R CA 0.463 56.530 56.100 -0.055 0.000 0.984 29 R CB -0.243 30.024 30.300 -0.054 0.000 0.884 29 R HN 0.378 nan 8.270 nan 0.000 0.447 30 I N 1.498 122.025 120.570 -0.070 0.000 2.439 30 I HA -0.191 3.978 4.170 -0.000 0.000 0.251 30 I C 1.972 178.060 176.117 -0.049 0.000 1.139 30 I CA 1.149 62.411 61.300 -0.063 0.000 1.438 30 I CB 0.178 38.130 38.000 -0.080 0.000 1.085 30 I HN 0.132 nan 8.210 nan 0.000 0.427 31 I N -1.894 118.647 120.570 -0.049 0.000 3.059 31 I HA 0.116 4.286 4.170 -0.000 0.000 0.270 31 I C 2.336 178.436 176.117 -0.028 0.000 1.238 31 I CA 0.935 62.215 61.300 -0.033 0.000 1.478 31 I CB -0.582 37.401 38.000 -0.027 0.000 1.097 31 I HN 0.006 nan 8.210 nan 0.000 0.455 32 A N 1.485 124.286 122.820 -0.032 0.000 1.968 32 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 32 A C 2.224 179.791 177.584 -0.028 0.000 1.169 32 A CA 1.189 53.209 52.037 -0.028 0.000 0.638 32 A CB -0.506 18.475 19.000 -0.031 0.000 0.812 32 A HN 0.518 nan 8.150 nan 0.000 0.446 33 E N -0.514 119.668 120.200 -0.030 0.000 2.274 33 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 33 E C 1.663 178.249 176.600 -0.024 0.000 0.996 33 E CA 1.239 57.622 56.400 -0.028 0.000 0.840 33 E CB -0.137 29.546 29.700 -0.029 0.000 0.772 33 E HN 0.635 nan 8.360 nan 0.000 0.491 34 T N 0.356 114.896 114.554 -0.023 0.000 2.904 34 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 34 T C 1.872 176.563 174.700 -0.016 0.000 1.059 34 T CA 1.244 63.333 62.100 -0.018 0.000 1.137 34 T CB 0.058 68.917 68.868 -0.016 0.000 0.879 34 T HN 0.160 nan 8.240 nan 0.000 0.467 35 V N -1.238 118.666 119.914 -0.017 0.000 3.427 35 V HA 0.455 4.575 4.120 -0.000 0.000 0.305 35 V C 1.826 177.909 176.094 -0.019 0.000 1.412 35 V CA -0.248 62.043 62.300 -0.016 0.000 1.086 35 V CB -0.454 31.361 31.823 -0.013 0.000 0.964 35 V HN 0.135 nan 8.190 nan 0.000 0.439 36 R N 1.852 122.339 120.500 -0.022 0.000 2.153 36 R HA -0.021 4.319 4.340 -0.000 0.000 0.218 36 R C 2.264 178.549 176.300 -0.025 0.000 1.072 36 R CA 1.416 57.501 56.100 -0.025 0.000 0.990 36 R CB 0.007 30.291 30.300 -0.027 0.000 0.889 36 R HN 0.754 nan 8.270 nan 0.000 0.452 37 S N -1.223 114.463 115.700 -0.023 0.000 2.528 37 S HA -0.058 4.411 4.470 -0.000 0.000 0.219 37 S C 1.695 176.282 174.600 -0.022 0.000 0.985 37 S CA 0.755 58.941 58.200 -0.023 0.000 0.914 37 S CB 0.282 63.469 63.200 -0.021 0.000 0.776 37 S HN 0.388 nan 8.310 nan 0.000 0.526 38 T N -0.100 114.442 114.554 -0.019 0.000 3.043 38 T HA 0.258 4.608 4.350 -0.000 0.000 0.263 38 T C 0.605 175.295 174.700 -0.016 0.000 1.094 38 T CA -0.219 61.872 62.100 -0.015 0.000 1.127 38 T CB -0.566 68.296 68.868 -0.011 0.000 0.905 38 T HN 0.380 nan 8.240 nan 0.000 0.490 39 L N 1.867 123.078 121.223 -0.021 0.000 2.416 39 L HA 0.526 4.865 4.340 -0.000 0.000 0.272 39 L C 0.719 177.571 176.870 -0.030 0.000 1.161 39 L CA 1.081 55.908 54.840 -0.022 0.000 0.845 39 L CB 0.010 42.054 42.059 -0.025 0.000 1.119 39 L HN 0.705 nan 8.230 nan 0.000 0.464 40 G N 3.594 112.378 108.800 -0.027 0.000 2.629 40 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 40 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 40 G C -2.398 172.480 174.900 -0.037 0.000 1.232 40 G CA -0.506 44.569 45.100 -0.041 0.000 0.803 40 G HN 0.497 nan 8.290 nan 0.000 0.638 41 P HA 0.002 nan 4.420 nan 0.000 0.218 41 P C 1.091 178.361 177.300 -0.051 0.000 1.148 41 P CA 1.297 64.389 63.100 -0.014 0.000 0.822 41 P CB 0.114 31.796 31.700 -0.031 0.000 0.784 42 K N 0.100 120.420 120.400 -0.134 0.000 3.101 42 K HA 0.302 4.622 4.320 -0.000 0.000 0.229 42 K C 0.763 177.325 176.600 -0.062 0.000 1.232 42 K CA -0.376 55.850 56.287 -0.102 0.000 1.210 42 K CB 0.225 32.630 32.500 -0.158 0.000 1.284 42 K HN 0.080 nan 8.250 nan 0.000 0.448 43 G N 0.670 109.447 108.800 -0.039 0.000 2.528 43 G HA2 0.344 4.304 3.960 -0.000 0.000 0.289 43 G HA3 0.344 4.304 3.960 -0.000 0.000 0.289 43 G C 0.027 174.916 174.900 -0.018 0.000 1.192 43 G CA -0.595 44.488 45.100 -0.028 0.000 0.921 43 G HN 0.039 nan 8.290 nan 0.000 0.512 44 M N 0.284 119.874 119.600 -0.017 0.000 2.528 44 M HA 0.394 4.873 4.480 -0.000 0.000 0.318 44 M C -0.927 175.368 176.300 -0.009 0.000 1.195 44 M CA -0.609 54.684 55.300 -0.013 0.000 1.000 44 M CB 1.626 34.217 32.600 -0.015 0.000 1.615 44 M HN 0.349 nan 8.290 nan 0.000 0.469 45 D N 0.952 121.347 120.400 -0.007 0.000 2.326 45 D HA 0.496 5.136 4.640 -0.000 0.000 0.248 45 D C -0.552 175.744 176.300 -0.007 0.000 1.001 45 D CA -0.289 53.708 54.000 -0.006 0.000 0.961 45 D CB 1.289 42.087 40.800 -0.004 0.000 1.183 45 D HN 0.136 nan 8.370 nan 0.000 0.502 46 K N 1.090 121.486 120.400 -0.006 0.000 2.345 46 K HA 0.410 4.730 4.320 -0.000 0.000 0.255 46 K C -0.892 175.705 176.600 -0.006 0.000 0.934 46 K CA -0.577 55.706 56.287 -0.007 0.000 0.801 46 K CB 2.279 34.776 32.500 -0.005 0.000 1.137 46 K HN 0.460 nan 8.250 nan 0.000 0.424 47 M N 3.885 123.480 119.600 -0.008 0.000 2.205 47 M HA 0.316 4.796 4.480 -0.000 0.000 0.344 47 M C -1.456 174.841 176.300 -0.005 0.000 1.085 47 M CA -1.028 54.267 55.300 -0.009 0.000 1.001 47 M CB 0.638 33.230 32.600 -0.013 0.000 1.626 47 M HN 0.359 nan 8.290 nan 0.000 0.442 48 L N 6.036 127.257 121.223 -0.003 0.000 2.298 48 L HA 0.493 4.833 4.340 -0.000 0.000 0.284 48 L C -0.871 175.999 176.870 0.001 0.000 1.013 48 L CA -0.339 54.501 54.840 0.000 0.000 0.824 48 L CB 1.825 43.886 42.059 0.003 0.000 1.221 48 L HN 0.406 nan 8.230 nan 0.000 0.418 49 V N 3.636 123.551 119.914 0.001 0.000 2.313 49 V HA 0.348 4.468 4.120 -0.000 0.000 0.278 49 V C -0.045 176.051 176.094 0.004 0.000 1.017 49 V CA -0.838 61.463 62.300 0.002 0.000 0.823 49 V CB 1.040 32.863 31.823 -0.000 0.000 1.010 49 V HN 0.793 nan 8.190 nan 0.000 0.443 50 D N 3.738 124.141 120.400 0.005 0.000 2.469 50 D HA 0.061 4.701 4.640 -0.000 0.000 0.278 50 D C 0.938 177.241 176.300 0.006 0.000 1.231 50 D CA -0.192 53.812 54.000 0.006 0.000 1.075 50 D CB 0.593 41.397 40.800 0.007 0.000 1.121 50 D HN 0.478 nan 8.370 nan 0.000 0.571 51 D N -0.362 120.042 120.400 0.006 0.000 2.178 51 D HA -0.151 4.489 4.640 -0.000 0.000 0.202 51 D C 2.133 178.436 176.300 0.006 0.000 0.974 51 D CA 0.697 54.700 54.000 0.006 0.000 0.841 51 D CB -0.329 40.474 40.800 0.006 0.000 0.953 51 D HN 0.301 nan 8.370 nan 0.000 0.478 52 L N -0.191 121.036 121.223 0.006 0.000 2.395 52 L HA 0.127 4.467 4.340 -0.000 0.000 0.218 52 L C 1.856 178.731 176.870 0.007 0.000 1.130 52 L CA 0.830 55.674 54.840 0.007 0.000 0.826 52 L CB -0.279 41.785 42.059 0.008 0.000 0.941 52 L HN 0.323 nan 8.230 nan 0.000 0.451 53 G N -0.530 108.274 108.800 0.007 0.000 2.141 53 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.242 53 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.242 53 G C -0.206 174.699 174.900 0.008 0.000 0.982 53 G CA -0.128 44.975 45.100 0.006 0.000 0.662 53 G HN 0.297 nan 8.290 nan 0.000 0.527 54 D N 0.215 120.621 120.400 0.010 0.000 2.383 54 D HA 0.396 5.036 4.640 -0.000 0.000 0.252 54 D C 0.367 176.675 176.300 0.013 0.000 1.166 54 D CA 0.096 54.105 54.000 0.015 0.000 0.879 54 D CB 2.106 42.917 40.800 0.018 0.000 1.164 54 D HN 0.249 nan 8.370 nan 0.000 0.462 55 V N 3.443 123.365 119.914 0.014 0.000 2.472 55 V HA 0.559 4.679 4.120 -0.000 0.000 0.290 55 V C -0.726 175.374 176.094 0.010 0.000 1.037 55 V CA -0.414 61.889 62.300 0.004 0.000 0.908 55 V CB 1.788 33.605 31.823 -0.010 0.000 0.985 55 V HN 0.283 nan 8.190 nan 0.000 0.454 56 V N 6.788 126.705 119.914 0.005 0.000 2.817 56 V HA 0.569 4.689 4.120 -0.000 0.000 0.303 56 V C -1.155 174.939 176.094 -0.001 0.000 1.151 56 V CA -0.288 62.019 62.300 0.012 0.000 0.929 56 V CB 2.441 34.283 31.823 0.031 0.000 1.030 56 V HN 0.736 nan 8.190 nan 0.000 0.427 57 V N 5.440 125.349 119.914 -0.008 0.000 2.398 57 V HA 0.789 4.909 4.120 -0.000 0.000 0.286 57 V C 0.089 176.184 176.094 0.002 0.000 1.026 57 V CA -0.124 62.170 62.300 -0.010 0.000 0.868 57 V CB 1.568 33.376 31.823 -0.025 0.000 0.982 57 V HN 0.993 nan 8.190 nan 0.000 0.443 58 T N 2.769 117.325 114.554 0.003 0.000 2.956 58 T HA 0.299 4.649 4.350 -0.000 0.000 0.312 58 T C 0.390 175.092 174.700 0.004 0.000 1.151 58 T CA -0.492 61.612 62.100 0.008 0.000 1.024 58 T CB 1.877 70.751 68.868 0.011 0.000 1.140 58 T HN 0.642 nan 8.240 nan 0.000 0.473 59 N N 2.129 120.833 118.700 0.005 0.000 2.415 59 N HA 0.012 4.751 4.740 -0.000 0.000 0.174 59 N C 0.018 175.530 175.510 0.003 0.000 1.048 59 N CA 0.171 53.223 53.050 0.003 0.000 0.895 59 N CB 0.153 38.643 38.487 0.005 0.000 1.036 59 N HN 0.721 nan 8.380 nan 0.000 0.449 60 D N -0.026 120.377 120.400 0.005 0.000 2.472 60 D HA 0.039 4.679 4.640 -0.000 0.000 0.248 60 D C 1.342 177.643 176.300 0.002 0.000 1.174 60 D CA 0.332 54.335 54.000 0.005 0.000 0.883 60 D CB 0.831 41.635 40.800 0.007 0.000 1.149 60 D HN 0.296 nan 8.370 nan 0.000 0.488 61 G N 2.717 111.517 108.800 0.000 0.000 2.432 61 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 61 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 61 G C 1.461 176.361 174.900 0.000 0.000 1.135 61 G CA 0.598 45.697 45.100 -0.002 0.000 0.767 61 G HN 0.491 nan 8.290 nan 0.000 0.550 62 V N 1.596 121.511 119.914 0.002 0.000 2.591 62 V HA -0.089 4.031 4.120 -0.000 0.000 0.249 62 V C 3.170 179.267 176.094 0.004 0.000 1.053 62 V CA 2.685 64.987 62.300 0.003 0.000 1.068 62 V CB -0.473 31.352 31.823 0.004 0.000 0.689 62 V HN 0.588 nan 8.190 nan 0.000 0.462 63 T N -2.053 112.504 114.554 0.005 0.000 2.995 63 T HA -0.028 4.322 4.350 -0.000 0.000 0.269 63 T C 1.734 176.438 174.700 0.006 0.000 1.091 63 T CA 1.534 63.638 62.100 0.006 0.000 1.128 63 T CB -0.388 68.485 68.868 0.008 0.000 0.891 63 T HN 0.476 nan 8.240 nan 0.000 0.492 64 I N 0.801 121.374 120.570 0.004 0.000 2.193 64 I HA 0.005 4.175 4.170 -0.000 0.000 0.240 64 I C 2.390 178.510 176.117 0.004 0.000 1.084 64 I CA 1.073 62.374 61.300 0.003 0.000 1.365 64 I CB -0.376 37.625 38.000 0.000 0.000 1.064 64 I HN 0.150 nan 8.210 nan 0.000 0.410 65 L N 0.165 121.390 121.223 0.003 0.000 2.201 65 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 65 L C 2.684 179.558 176.870 0.007 0.000 1.105 65 L CA 1.102 55.944 54.840 0.004 0.000 0.775 65 L CB -0.469 41.592 42.059 0.003 0.000 0.913 65 L HN 0.147 nan 8.230 nan 0.000 0.440 66 R N -0.085 120.419 120.500 0.007 0.000 2.075 66 R HA -0.053 4.287 4.340 -0.000 0.000 0.226 66 R C 1.494 177.799 176.300 0.008 0.000 1.114 66 R CA 1.003 57.108 56.100 0.008 0.000 0.972 66 R CB 0.003 30.307 30.300 0.007 0.000 0.869 66 R HN 0.397 nan 8.270 nan 0.000 0.437 67 E N 0.526 120.731 120.200 0.008 0.000 2.481 67 E HA 0.072 4.421 4.350 -0.000 0.000 0.198 67 E C 0.361 176.966 176.600 0.008 0.000 1.027 67 E CA -0.191 56.214 56.400 0.008 0.000 0.900 67 E CB 0.504 30.209 29.700 0.009 0.000 0.993 67 E HN 0.270 nan 8.360 nan 0.000 0.482 68 M N -0.923 118.682 119.600 0.008 0.000 2.444 68 M HA 0.423 4.903 4.480 -0.000 0.000 0.319 68 M C -0.156 176.150 176.300 0.010 0.000 1.183 68 M CA -0.515 54.790 55.300 0.008 0.000 1.032 68 M CB 1.475 34.079 32.600 0.006 0.000 1.569 68 M HN -0.368 nan 8.290 nan 0.000 0.468 69 S N 2.063 117.769 115.700 0.010 0.000 2.423 69 S HA 0.394 4.864 4.470 -0.000 0.000 0.302 69 S C -0.431 174.180 174.600 0.018 0.000 1.143 69 S CA -0.667 57.541 58.200 0.013 0.000 1.080 69 S CB -0.517 62.691 63.200 0.012 0.000 1.081 69 S HN 0.464 nan 8.310 nan 0.000 0.522 70 V N 3.857 123.784 119.914 0.022 0.000 2.487 70 V HA 0.434 4.554 4.120 -0.000 0.000 0.298 70 V C 0.423 176.540 176.094 0.039 0.000 1.028 70 V CA -0.570 61.749 62.300 0.032 0.000 0.860 70 V CB 1.854 33.695 31.823 0.030 0.000 0.991 70 V HN 0.678 nan 8.190 nan 0.000 0.427 71 E N 0.658 120.892 120.200 0.056 0.000 2.536 71 E HA 0.113 4.463 4.350 -0.000 0.000 0.220 71 E C 0.415 177.051 176.600 0.059 0.000 0.876 71 E CA -0.159 56.269 56.400 0.047 0.000 1.190 71 E CB 0.370 30.090 29.700 0.034 0.000 1.191 71 E HN 0.727 nan 8.360 nan 0.000 0.557 72 H N 2.719 121.794 119.070 0.009 0.000 2.803 72 H HA 0.055 4.611 4.556 -0.000 0.000 0.330 72 H C -1.688 173.647 175.328 0.011 0.000 1.057 72 H CA -1.247 54.808 56.048 0.011 0.000 1.458 72 H CB 1.547 31.309 29.762 0.001 0.000 1.470 72 H HN -0.203 nan 8.280 nan 0.000 0.560 73 P HA -0.136 nan 4.420 nan 0.000 0.216 73 P C 1.021 178.389 177.300 0.113 0.000 1.150 73 P CA 1.976 65.067 63.100 -0.014 0.000 0.837 73 P CB 0.146 31.788 31.700 -0.095 0.000 0.786 74 A N -0.461 122.540 122.820 0.301 0.000 2.014 74 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 74 A C 2.240 179.900 177.584 0.127 0.000 1.163 74 A CA 1.576 53.738 52.037 0.209 0.000 0.652 74 A CB -1.322 17.805 19.000 0.211 0.000 0.808 74 A HN 0.192 nan 8.150 nan 0.000 0.449 75 A N -0.081 122.833 122.820 0.157 0.000 1.970 75 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 75 A C 2.022 179.637 177.584 0.052 0.000 1.170 75 A CA 1.411 53.484 52.037 0.059 0.000 0.645 75 A CB -0.281 18.746 19.000 0.045 0.000 0.816 75 A HN 0.485 nan 8.150 nan 0.000 0.447 76 K N -0.736 119.704 120.400 0.066 0.000 2.211 76 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 76 K C 1.755 178.374 176.600 0.033 0.000 1.050 76 K CA 1.202 57.514 56.287 0.042 0.000 0.945 76 K CB -0.195 32.328 32.500 0.039 0.000 0.732 76 K HN 0.486 nan 8.250 nan 0.000 0.451 77 M N 0.048 119.670 119.600 0.037 0.000 2.419 77 M HA -0.073 4.406 4.480 -0.000 0.000 0.264 77 M C 1.602 177.916 176.300 0.023 0.000 1.082 77 M CA 0.806 56.123 55.300 0.029 0.000 1.119 77 M CB 0.111 32.730 32.600 0.032 0.000 1.398 77 M HN 0.066 nan 8.290 nan 0.000 0.453 78 L N -0.073 121.163 121.223 0.021 0.000 2.509 78 L HA 0.127 4.467 4.340 -0.000 0.000 0.222 78 L C 1.488 178.365 176.870 0.012 0.000 1.123 78 L CA 0.910 55.759 54.840 0.014 0.000 0.856 78 L CB -0.004 42.059 42.059 0.007 0.000 0.985 78 L HN 0.183 nan 8.230 nan 0.000 0.456 79 I N -1.053 119.526 120.570 0.014 0.000 3.749 79 I HA 0.008 4.178 4.170 -0.000 0.000 0.314 79 I C 1.316 177.440 176.117 0.012 0.000 1.267 79 I CA 0.157 61.464 61.300 0.012 0.000 1.169 79 I CB -0.192 37.816 38.000 0.013 0.000 1.009 79 I HN 0.170 nan 8.210 nan 0.000 0.444 80 E N 0.323 120.531 120.200 0.013 0.000 2.415 80 E HA 0.043 4.393 4.350 -0.000 0.000 0.197 80 E C 2.230 178.838 176.600 0.013 0.000 1.007 80 E CA 0.536 56.944 56.400 0.013 0.000 0.890 80 E CB 0.485 30.194 29.700 0.015 0.000 0.891 80 E HN 0.317 nan 8.360 nan 0.000 0.496 81 V N 1.451 121.373 119.914 0.013 0.000 2.283 81 V HA -0.136 3.984 4.120 -0.000 0.000 0.243 81 V C 2.430 178.529 176.094 0.010 0.000 1.039 81 V CA 1.902 64.210 62.300 0.013 0.000 1.016 81 V CB -0.705 31.126 31.823 0.013 0.000 0.650 81 V HN 0.208 nan 8.190 nan 0.000 0.449 82 A N -0.481 122.343 122.820 0.007 0.000 1.968 82 A HA -0.181 4.139 4.320 -0.000 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 0.491 nan 8.150 nan 0.000 0.446 83 K N -0.187 120.217 120.400 0.007 0.000 2.148 83 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 83 K C 1.700 178.304 176.600 0.007 0.000 1.050 83 K CA 1.721 58.012 56.287 0.007 0.000 0.942 83 K CB -0.134 32.370 32.500 0.008 0.000 0.724 83 K HN 0.629 nan 8.250 nan 0.000 0.446 84 T N -2.111 112.448 114.554 0.008 0.000 3.107 84 T HA 0.011 4.361 4.350 -0.000 0.000 0.249 84 T C 1.537 176.241 174.700 0.008 0.000 1.096 84 T CA 0.108 62.214 62.100 0.009 0.000 1.012 84 T CB 0.443 69.317 68.868 0.011 0.000 0.977 84 T HN 0.091 nan 8.240 nan 0.000 0.527 85 Q N 2.324 122.128 119.800 0.007 0.000 2.165 85 Q HA 0.014 4.354 4.340 -0.000 0.000 0.197 85 Q C 2.160 178.163 176.000 0.005 0.000 0.952 85 Q CA 1.491 57.298 55.803 0.006 0.000 0.848 85 Q CB -0.110 28.631 28.738 0.005 0.000 0.931 85 Q HN 0.824 nan 8.270 nan 0.000 0.470 86 E N -0.827 119.375 120.200 0.004 0.000 2.274 86 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 86 E C 1.643 178.244 176.600 0.003 0.000 0.996 86 E CA 0.921 57.323 56.400 0.004 0.000 0.840 86 E CB -0.040 29.662 29.700 0.004 0.000 0.772 86 E HN 0.034 nan 8.360 nan 0.000 0.491 87 K N 0.633 121.035 120.400 0.004 0.000 2.137 87 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 87 K C 1.895 178.497 176.600 0.003 0.000 1.052 87 K CA 1.062 57.351 56.287 0.004 0.000 0.961 87 K CB 0.360 32.862 32.500 0.004 0.000 0.741 87 K HN 0.048 nan 8.250 nan 0.000 0.452 88 E N -0.691 119.512 120.200 0.004 0.000 2.127 88 E HA 0.015 4.365 4.350 -0.000 0.000 0.191 88 E C 1.804 178.406 176.600 0.004 0.000 0.964 88 E CA 0.932 57.335 56.400 0.005 0.000 0.832 88 E CB 0.299 30.003 29.700 0.006 0.000 0.790 88 E HN 0.095 nan 8.360 nan 0.000 0.465 89 V N -1.213 118.704 119.914 0.004 0.000 2.870 89 V HA 0.358 4.478 4.120 -0.000 0.000 0.232 89 V C 1.643 177.738 176.094 0.003 0.000 1.161 89 V CA 1.072 63.374 62.300 0.004 0.000 1.204 89 V CB 0.349 32.174 31.823 0.004 0.000 1.003 89 V HN 0.423 nan 8.190 nan 0.000 0.499 90 G N 0.310 109.112 108.800 0.003 0.000 2.953 90 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.201 90 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.201 90 G C -0.146 174.756 174.900 0.003 0.000 1.501 90 G CA 0.212 45.314 45.100 0.003 0.000 1.094 90 G HN 0.545 nan 8.290 nan 0.000 0.555 91 D N 1.010 121.412 120.400 0.004 0.000 2.210 91 D HA 0.548 5.188 4.640 -0.000 0.000 0.249 91 D C 0.954 177.256 176.300 0.003 0.000 1.078 91 D CA 1.279 55.282 54.000 0.004 0.000 0.875 91 D CB 0.854 41.658 40.800 0.006 0.000 1.175 91 D HN 1.655 nan 8.370 nan 0.000 0.440 92 G N 2.115 110.916 108.800 0.002 0.000 2.135 92 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.183 92 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.183 92 G C 0.954 175.853 174.900 -0.002 0.000 1.004 92 G CA 0.509 45.609 45.100 -0.000 0.000 0.677 92 G HN 0.651 nan 8.290 nan 0.000 0.512 93 T N -3.071 111.482 114.554 -0.001 0.000 2.904 93 T HA -0.014 4.336 4.350 -0.000 0.000 0.267 93 T C 2.239 176.936 174.700 -0.004 0.000 1.059 93 T CA 2.384 64.483 62.100 -0.001 0.000 1.137 93 T CB -0.313 68.555 68.868 0.001 0.000 0.879 93 T HN 0.245 nan 8.240 nan 0.000 0.467 94 T N 2.740 117.290 114.554 -0.006 0.000 2.812 94 T HA -0.085 4.264 4.350 -0.000 0.000 0.264 94 T C 2.467 177.159 174.700 -0.014 0.000 1.042 94 T CA 1.868 63.962 62.100 -0.009 0.000 1.140 94 T CB -0.866 67.996 68.868 -0.010 0.000 0.870 94 T HN 0.786 nan 8.240 nan 0.000 0.445 95 T N 1.123 115.669 114.554 -0.014 0.000 2.867 95 T HA 0.068 4.418 4.350 -0.000 0.000 0.268 95 T C 2.245 176.932 174.700 -0.022 0.000 1.057 95 T CA 0.986 63.074 62.100 -0.020 0.000 1.136 95 T CB -0.523 68.335 68.868 -0.018 0.000 0.874 95 T HN 0.328 nan 8.240 nan 0.000 0.466 96 A N 0.790 123.601 122.820 -0.014 0.000 2.015 96 A HA 0.198 4.518 4.320 -0.000 0.000 0.219 96 A C 2.497 180.073 177.584 -0.013 0.000 1.163 96 A CA 1.168 53.198 52.037 -0.011 0.000 0.646 96 A CB -0.671 18.328 19.000 -0.003 0.000 0.806 96 A HN 0.444 nan 8.150 nan 0.000 0.448 97 V N -0.870 119.036 119.914 -0.014 0.000 2.500 97 V HA -0.120 4.000 4.120 -0.000 0.000 0.243 97 V C 2.486 178.566 176.094 -0.023 0.000 1.039 97 V CA 1.501 63.792 62.300 -0.015 0.000 1.053 97 V CB -0.499 31.317 31.823 -0.012 0.000 0.695 97 V HN 0.321 nan 8.190 nan 0.000 0.463 98 V N 0.049 119.946 119.914 -0.028 0.000 2.343 98 V HA -0.210 3.909 4.120 -0.000 0.000 0.247 98 V C 2.467 178.533 176.094 -0.047 0.000 1.051 98 V CA 1.811 64.090 62.300 -0.035 0.000 1.036 98 V CB -0.489 31.312 31.823 -0.036 0.000 0.654 98 V HN 0.399 nan 8.190 nan 0.000 0.451 99 V N 0.438 120.319 119.914 -0.054 0.000 2.343 99 V HA -0.264 3.855 4.120 -0.000 0.000 0.247 99 V C 2.730 178.779 176.094 -0.074 0.000 1.051 99 V CA 2.053 64.304 62.300 -0.082 0.000 1.036 99 V CB -1.134 30.633 31.823 -0.093 0.000 0.654 99 V HN 0.565 nan 8.190 nan 0.000 0.451 100 A N 0.374 123.169 122.820 -0.042 0.000 1.972 100 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 100 A C 2.366 179.942 177.584 -0.014 0.000 1.169 100 A CA 1.888 53.915 52.037 -0.016 0.000 0.635 100 A CB -1.021 17.978 19.000 -0.002 0.000 0.810 100 A HN 0.547 nan 8.150 nan 0.000 0.446 101 G N -0.772 108.012 108.800 -0.026 0.000 2.403 101 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.216 101 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.216 101 G C 1.447 176.331 174.900 -0.027 0.000 1.154 101 G CA 1.128 46.212 45.100 -0.027 0.000 0.784 101 G HN 0.545 nan 8.290 nan 0.000 0.538 102 E N 0.240 120.417 120.200 -0.039 0.000 2.152 102 E HA 0.087 4.437 4.350 -0.000 0.000 0.192 102 E C 2.416 179.000 176.600 -0.026 0.000 0.983 102 E CA 0.314 56.688 56.400 -0.043 0.000 0.818 102 E CB -0.302 29.357 29.700 -0.069 0.000 0.758 102 E HN 0.416 nan 8.360 nan 0.000 0.467 103 L N -0.113 121.098 121.223 -0.020 0.000 2.275 103 L HA -0.078 4.262 4.340 -0.000 0.000 0.215 103 L C 2.027 178.977 176.870 0.133 0.000 1.119 103 L CA 0.573 55.461 54.840 0.081 0.000 0.790 103 L CB -0.170 41.949 42.059 0.099 0.000 0.919 103 L HN 0.206 nan 8.230 nan 0.000 0.443 104 L N -1.087 120.163 121.223 0.046 0.000 2.249 104 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 104 L C 2.716 179.588 176.870 0.004 0.000 1.090 104 L CA 0.569 55.416 54.840 0.012 0.000 0.802 104 L CB -0.306 41.747 42.059 -0.011 0.000 0.947 104 L HN 0.171 nan 8.230 nan 0.000 0.453 105 R N 0.353 120.856 120.500 0.005 0.000 2.073 105 R HA -0.095 4.244 4.340 -0.000 0.000 0.229 105 R C 1.994 178.305 176.300 0.017 0.000 1.120 105 R CA 0.954 57.053 56.100 -0.001 0.000 0.967 105 R CB 0.182 30.475 30.300 -0.012 0.000 0.862 105 R HN 0.100 nan 8.270 nan 0.000 0.436 106 K N -0.082 120.345 120.400 0.044 0.000 2.432 106 K HA 0.019 4.339 4.320 -0.000 0.000 0.196 106 K C 1.616 178.282 176.600 0.110 0.000 1.038 106 K CA 0.851 57.184 56.287 0.076 0.000 0.986 106 K CB 0.337 32.890 32.500 0.090 0.000 0.782 106 K HN 0.215 nan 8.250 nan 0.000 0.485 107 A N 1.794 124.663 122.820 0.083 0.000 1.903 107 A HA -0.135 4.185 4.320 -0.000 0.000 0.213 107 A C 1.996 179.568 177.584 -0.019 0.000 1.185 107 A CA 1.073 53.114 52.037 0.008 0.000 0.628 107 A CB -0.235 18.712 19.000 -0.088 0.000 0.830 107 A HN 0.438 nan 8.150 nan 0.000 0.446 108 E N 0.223 120.412 120.200 -0.018 0.000 2.347 108 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 108 E C 1.372 177.964 176.600 -0.013 0.000 1.008 108 E CA 1.099 57.483 56.400 -0.026 0.000 0.852 108 E CB -0.282 29.400 29.700 -0.030 0.000 0.783 108 E HN 0.709 nan 8.360 nan 0.000 0.505 109 E N 0.711 120.912 120.200 0.002 0.000 2.152 109 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 109 E C 1.951 178.558 176.600 0.012 0.000 0.983 109 E CA 0.805 57.210 56.400 0.008 0.000 0.818 109 E CB 0.036 29.746 29.700 0.017 0.000 0.758 109 E HN 0.375 nan 8.360 nan 0.000 0.467 110 L N 0.253 121.485 121.223 0.016 0.000 2.270 110 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 110 L C 2.171 179.040 176.870 -0.003 0.000 1.104 110 L CA 0.353 55.203 54.840 0.017 0.000 0.804 110 L CB -0.057 42.022 42.059 0.034 0.000 0.937 110 L HN 0.118 nan 8.230 nan 0.000 0.450 111 L N -0.400 120.811 121.223 -0.021 0.000 2.156 111 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 111 L C 1.712 178.568 176.870 -0.023 0.000 1.095 111 L CA 0.871 55.689 54.840 -0.037 0.000 0.770 111 L CB -0.408 41.618 42.059 -0.056 0.000 0.914 111 L HN 0.216 nan 8.230 nan 0.000 0.439 112 D N -0.428 119.963 120.400 -0.015 0.000 2.312 112 D HA -0.132 4.508 4.640 -0.000 0.000 0.211 112 D C 1.787 178.086 176.300 -0.002 0.000 0.964 112 D CA 0.811 54.806 54.000 -0.009 0.000 0.877 112 D CB 0.059 40.854 40.800 -0.008 0.000 0.924 112 D HN 0.328 nan 8.370 nan 0.000 0.515 113 Q N 0.065 119.866 119.800 0.002 0.000 2.280 113 Q HA 0.115 4.455 4.340 -0.000 0.000 0.202 113 Q C -0.190 175.818 176.000 0.013 0.000 0.903 113 Q CA -0.137 55.671 55.803 0.008 0.000 0.948 113 Q CB 0.343 29.089 28.738 0.012 0.000 1.058 113 Q HN 0.134 nan 8.270 nan 0.000 0.493 114 N N -0.386 118.320 118.700 0.010 0.000 2.741 114 N HA -0.142 4.598 4.740 -0.000 0.000 0.250 114 N C -0.919 174.613 175.510 0.037 0.000 1.115 114 N CA 0.512 53.574 53.050 0.020 0.000 0.724 114 N CB -1.518 36.984 38.487 0.024 0.000 1.090 114 N HN 0.039 nan 8.380 nan 0.000 0.558 115 V N 1.848 121.780 119.914 0.029 0.000 2.455 115 V HA 0.043 4.162 4.120 -0.000 0.000 0.273 115 V C 1.162 177.285 176.094 0.050 0.000 1.045 115 V CA -0.401 61.928 62.300 0.047 0.000 0.976 115 V CB 1.008 32.854 31.823 0.038 0.000 0.993 115 V HN 0.236 nan 8.190 nan 0.000 0.475 116 H N 7.968 127.035 119.070 -0.006 0.000 2.928 116 H HA 0.072 4.628 4.556 -0.000 0.000 0.338 116 H C -1.613 173.702 175.328 -0.021 0.000 1.047 116 H CA -1.232 54.809 56.048 -0.011 0.000 1.435 116 H CB 1.838 31.595 29.762 -0.007 0.000 1.428 116 H HN 0.391 nan 8.280 nan 0.000 0.590 117 P HA -0.162 nan 4.420 nan 0.000 0.217 117 P C 1.381 178.663 177.300 -0.029 0.000 1.148 117 P CA 2.204 65.186 63.100 -0.195 0.000 0.828 117 P CB 0.057 31.586 31.700 -0.284 0.000 0.783 118 T N -3.783 110.877 114.554 0.176 0.000 2.995 118 T HA -0.032 4.318 4.350 -0.000 0.000 0.269 118 T C 1.650 176.415 174.700 0.107 0.000 1.091 118 T CA 0.696 62.895 62.100 0.164 0.000 1.128 118 T CB -0.773 68.222 68.868 0.212 0.000 0.891 118 T HN -0.062 nan 8.240 nan 0.000 0.492 119 I N 1.279 121.923 120.570 0.123 0.000 2.500 119 I HA 0.025 4.194 4.170 -0.000 0.000 0.252 119 I C 2.550 178.706 176.117 0.065 0.000 1.142 119 I CA 0.445 61.792 61.300 0.078 0.000 1.451 119 I CB -1.168 36.880 38.000 0.080 0.000 1.093 119 I HN 0.181 nan 8.210 nan 0.000 0.430 120 V N 0.469 120.402 119.914 0.032 0.000 2.307 120 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 120 V C 2.570 178.653 176.094 -0.018 0.000 1.045 120 V CA 1.234 63.526 62.300 -0.014 0.000 1.024 120 V CB -0.508 31.222 31.823 -0.155 0.000 0.651 120 V HN 0.250 nan 8.190 nan 0.000 0.449 121 V N -0.303 119.588 119.914 -0.038 0.000 2.759 121 V HA -0.189 3.930 4.120 -0.000 0.000 0.256 121 V C 2.407 178.542 176.094 0.068 0.000 1.080 121 V CA 2.092 64.396 62.300 0.007 0.000 1.101 121 V CB -0.330 31.489 31.823 -0.007 0.000 0.698 121 V HN 0.548 nan 8.190 nan 0.000 0.477 122 K N -0.487 119.952 120.400 0.064 0.000 2.103 122 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 122 K C 1.972 178.610 176.600 0.064 0.000 1.052 122 K CA 1.331 57.651 56.287 0.055 0.000 0.945 122 K CB -0.351 32.176 32.500 0.044 0.000 0.722 122 K HN 0.546 nan 8.250 nan 0.000 0.443 123 G N -0.860 108.005 108.800 0.107 0.000 2.426 123 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.214 123 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.214 123 G C 1.173 176.113 174.900 0.068 0.000 1.156 123 G CA 0.173 45.333 45.100 0.099 0.000 0.802 123 G HN 0.267 nan 8.290 nan 0.000 0.534 124 Y N 0.342 120.607 120.300 -0.059 0.000 2.224 124 Y HA -0.126 4.423 4.550 -0.000 0.000 0.289 124 Y C 3.101 178.822 175.900 -0.299 0.000 1.146 124 Y CA 1.559 59.582 58.100 -0.127 0.000 1.182 124 Y CB 0.169 38.706 38.460 0.129 0.000 0.983 124 Y HN 0.212 nan 8.280 nan 0.000 0.524 125 Q N -0.138 119.670 119.800 0.014 0.000 2.083 125 Q HA -0.148 4.192 4.340 -0.000 0.000 0.198 125 Q C 2.366 178.304 176.000 -0.104 0.000 0.969 125 Q CA 1.075 56.856 55.803 -0.036 0.000 0.838 125 Q CB -0.133 28.616 28.738 0.019 0.000 0.900 125 Q HN 0.475 nan 8.270 nan 0.000 0.436 126 A N 0.497 123.273 122.820 -0.074 0.000 1.969 126 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 126 A C 2.147 179.692 177.584 -0.064 0.000 1.169 126 A CA 1.448 53.470 52.037 -0.026 0.000 0.635 126 A CB -0.558 18.465 19.000 0.040 0.000 0.810 126 A HN 0.497 nan 8.150 nan 0.000 0.445 127 A N -0.291 122.376 122.820 -0.256 0.000 1.930 127 A HA 0.316 4.636 4.320 -0.000 0.000 0.215 127 A C 2.410 179.672 177.584 -0.537 0.000 1.176 127 A CA 1.560 53.353 52.037 -0.407 0.000 0.632 127 A CB -0.800 17.767 19.000 -0.722 0.000 0.819 127 A HN 0.952 nan 8.150 nan 0.000 0.445 128 A N -0.951 121.471 122.820 -0.664 0.000 2.014 128 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 128 A C 2.076 179.573 177.584 -0.144 0.000 1.163 128 A CA 1.565 53.426 52.037 -0.292 0.000 0.652 128 A CB -0.415 18.503 19.000 -0.138 0.000 0.808 128 A HN 0.623 nan 8.150 nan 0.000 0.449 129 Q N -0.935 118.772 119.800 -0.154 0.000 2.172 129 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 129 Q C 1.939 177.854 176.000 -0.142 0.000 0.964 129 Q CA 1.580 57.321 55.803 -0.103 0.000 0.855 129 Q CB 0.025 28.722 28.738 -0.069 0.000 0.918 129 Q HN 0.483 nan 8.270 nan 0.000 0.444 130 K N -0.366 119.892 120.400 -0.237 0.000 2.211 130 K HA 0.117 4.437 4.320 -0.000 0.000 0.201 130 K C 1.573 178.016 176.600 -0.263 0.000 1.052 130 K CA 0.949 57.014 56.287 -0.370 0.000 0.973 130 K CB -0.103 31.868 32.500 -0.882 0.000 0.766 130 K HN 0.186 nan 8.250 nan 0.000 0.466 131 A N 0.623 123.335 122.820 -0.180 0.000 1.972 131 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 131 A C 1.892 179.445 177.584 -0.052 0.000 1.169 131 A CA 1.250 53.241 52.037 -0.076 0.000 0.635 131 A CB -0.400 18.617 19.000 0.028 0.000 0.810 131 A HN 0.310 nan 8.150 nan 0.000 0.446 132 Q N -0.186 119.581 119.800 -0.056 0.000 2.172 132 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 132 Q C 1.822 177.796 176.000 -0.044 0.000 0.964 132 Q CA 1.581 57.363 55.803 -0.036 0.000 0.855 132 Q CB -0.240 28.481 28.738 -0.027 0.000 0.918 132 Q HN 1.016 nan 8.270 nan 0.000 0.444 133 E N -0.392 119.767 120.200 -0.069 0.000 2.478 133 E HA 0.006 4.356 4.350 -0.000 0.000 0.194 133 E C 1.684 178.246 176.600 -0.064 0.000 1.045 133 E CA 0.082 56.444 56.400 -0.063 0.000 0.868 133 E CB 0.013 29.669 29.700 -0.073 0.000 0.885 133 E HN 0.221 nan 8.360 nan 0.000 0.505 134 L N 0.367 121.545 121.223 -0.075 0.000 2.354 134 L HA 0.105 4.444 4.340 -0.000 0.000 0.212 134 L C 2.254 179.106 176.870 -0.030 0.000 1.091 134 L CA 0.163 54.968 54.840 -0.059 0.000 0.828 134 L CB 0.042 42.053 42.059 -0.079 0.000 0.973 134 L HN 0.154 nan 8.230 nan 0.000 0.461 135 L N -0.288 120.919 121.223 -0.026 0.000 2.217 135 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 135 L C 2.378 179.244 176.870 -0.008 0.000 1.107 135 L CA 1.140 55.973 54.840 -0.011 0.000 0.783 135 L CB -0.214 41.840 42.059 -0.007 0.000 0.919 135 L HN 0.189 nan 8.230 nan 0.000 0.442 136 K N -0.612 119.780 120.400 -0.013 0.000 2.148 136 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 136 K C 2.079 178.675 176.600 -0.007 0.000 1.050 136 K CA 1.791 58.073 56.287 -0.009 0.000 0.942 136 K CB -0.172 32.320 32.500 -0.013 0.000 0.724 136 K HN 0.441 nan 8.250 nan 0.000 0.446 137 T N -0.158 114.391 114.554 -0.008 0.000 2.942 137 T HA -0.041 4.309 4.350 -0.000 0.000 0.265 137 T C 1.929 176.630 174.700 0.001 0.000 1.062 137 T CA 0.767 62.864 62.100 -0.004 0.000 1.139 137 T CB -0.440 68.424 68.868 -0.007 0.000 0.883 137 T HN 0.359 nan 8.240 nan 0.000 0.468 138 I N -0.357 120.216 120.570 0.004 0.000 3.728 138 I HA 0.544 4.714 4.170 -0.000 0.000 0.307 138 I C 1.122 177.246 176.117 0.012 0.000 1.276 138 I CA -0.761 60.546 61.300 0.012 0.000 1.285 138 I CB -0.425 37.589 38.000 0.022 0.000 1.038 138 I HN 0.141 nan 8.210 nan 0.000 0.445 139 A N 1.157 123.981 122.820 0.007 0.000 2.401 139 A HA 0.441 4.761 4.320 -0.000 0.000 0.259 139 A C 0.016 177.603 177.584 0.006 0.000 1.103 139 A CA -0.325 51.716 52.037 0.007 0.000 0.789 139 A CB 0.001 19.003 19.000 0.004 0.000 1.035 139 A HN 0.518 nan 8.150 nan 0.000 0.491 140 C N 2.226 121.530 119.300 0.006 0.000 2.401 140 C HA 0.463 4.923 4.460 -0.000 0.000 0.365 140 C C 0.287 175.279 174.990 0.004 0.000 1.250 140 C CA -0.727 58.294 59.018 0.005 0.000 2.131 140 C CB 0.212 27.956 27.740 0.006 0.000 2.445 140 C HN 0.784 nan 8.230 nan 0.000 0.550 141 E N 1.805 122.007 120.200 0.003 0.000 2.167 141 E HA 0.372 4.722 4.350 -0.000 0.000 0.284 141 E C -0.935 175.666 176.600 0.003 0.000 1.016 141 E CA -0.067 56.335 56.400 0.003 0.000 0.817 141 E CB 1.386 31.087 29.700 0.002 0.000 1.080 141 E HN 0.438 nan 8.360 nan 0.000 0.397 142 V N 2.830 122.745 119.914 0.003 0.000 2.398 142 V HA 0.310 4.430 4.120 -0.000 0.000 0.282 142 V C 0.761 176.857 176.094 0.003 0.000 1.014 142 V CA -0.916 61.385 62.300 0.003 0.000 0.838 142 V CB 1.495 33.320 31.823 0.003 0.000 1.018 142 V HN 0.749 nan 8.190 nan 0.000 0.432 143 G N 2.864 111.666 108.800 0.003 0.000 2.750 143 G HA2 0.352 4.312 3.960 -0.000 0.000 0.250 143 G HA3 0.352 4.312 3.960 -0.000 0.000 0.250 143 G C 1.168 176.070 174.900 0.004 0.000 1.230 143 G CA 0.238 45.340 45.100 0.003 0.000 0.883 143 G HN 0.964 nan 8.290 nan 0.000 0.573 144 A N -0.898 121.925 122.820 0.004 0.000 2.015 144 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 144 A C 1.930 179.516 177.584 0.004 0.000 1.163 144 A CA 1.471 53.511 52.037 0.004 0.000 0.646 144 A CB -0.081 18.922 19.000 0.005 0.000 0.806 144 A HN 0.619 nan 8.150 nan 0.000 0.448 145 Q N -0.425 119.378 119.800 0.005 0.000 2.165 145 Q HA 0.081 4.420 4.340 -0.000 0.000 0.245 145 Q C -0.873 175.130 176.000 0.005 0.000 0.841 145 Q CA -0.302 55.505 55.803 0.006 0.000 1.078 145 Q CB 0.525 29.268 28.738 0.008 0.000 1.169 145 Q HN 0.421 nan 8.270 nan 0.000 0.475 146 D N 1.362 121.764 120.400 0.004 0.000 2.508 146 D HA 0.027 4.667 4.640 -0.000 0.000 0.224 146 D C 0.556 176.858 176.300 0.003 0.000 1.171 146 D CA 0.233 54.236 54.000 0.003 0.000 1.006 146 D CB 0.539 41.340 40.800 0.003 0.000 1.073 146 D HN 0.128 nan 8.370 nan 0.000 0.513 147 K N 1.533 121.934 120.400 0.003 0.000 2.209 147 K HA -0.173 4.147 4.320 -0.000 0.000 0.204 147 K C 1.825 178.426 176.600 0.002 0.000 1.048 147 K CA 0.994 57.282 56.287 0.002 0.000 0.940 147 K CB 0.247 32.749 32.500 0.002 0.000 0.729 147 K HN 0.529 nan 8.250 nan 0.000 0.451 148 E N 0.833 121.034 120.200 0.002 0.000 2.150 148 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 148 E C 1.787 178.388 176.600 0.001 0.000 0.985 148 E CA 0.997 57.398 56.400 0.001 0.000 0.814 148 E CB -0.237 29.464 29.700 0.001 0.000 0.752 148 E HN 0.283 nan 8.360 nan 0.000 0.466 149 I N 0.787 121.358 120.570 0.002 0.000 2.480 149 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 149 I C 2.322 178.440 176.117 0.003 0.000 1.124 149 I CA 0.454 61.755 61.300 0.002 0.000 1.444 149 I CB -0.093 37.909 38.000 0.003 0.000 1.098 149 I HN 0.076 nan 8.210 nan 0.000 0.428 150 L N 0.372 121.596 121.223 0.002 0.000 2.131 150 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 150 L C 2.547 179.418 176.870 0.001 0.000 1.092 150 L CA 1.400 56.241 54.840 0.002 0.000 0.759 150 L CB -0.856 41.203 42.059 0.001 0.000 0.903 150 L HN 0.262 nan 8.230 nan 0.000 0.435 151 T N -0.751 113.803 114.554 0.001 0.000 2.821 151 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 151 T C 1.896 176.597 174.700 0.001 0.000 1.046 151 T CA 1.094 63.194 62.100 0.000 0.000 1.139 151 T CB -0.039 68.829 68.868 -0.000 0.000 0.871 151 T HN 0.299 nan 8.240 nan 0.000 0.454 152 K N 0.623 121.024 120.400 0.002 0.000 2.097 152 K HA 0.075 4.395 4.320 -0.000 0.000 0.205 152 K C 2.169 178.772 176.600 0.005 0.000 1.050 152 K CA 1.006 57.294 56.287 0.003 0.000 0.938 152 K CB -0.284 32.218 32.500 0.004 0.000 0.718 152 K HN 0.316 nan 8.250 nan 0.000 0.442 153 I N 1.032 121.605 120.570 0.005 0.000 2.252 153 I HA -0.258 3.911 4.170 -0.000 0.000 0.245 153 I C 2.475 178.595 176.117 0.006 0.000 1.102 153 I CA 1.109 62.413 61.300 0.006 0.000 1.385 153 I CB -0.318 37.685 38.000 0.005 0.000 1.064 153 I HN 0.126 nan 8.210 nan 0.000 0.414 154 A N 0.141 122.963 122.820 0.004 0.000 1.930 154 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 154 A C 2.287 179.874 177.584 0.004 0.000 1.175 154 A CA 1.640 53.679 52.037 0.003 0.000 0.627 154 A CB -0.545 18.455 19.000 0.001 0.000 0.815 154 A HN 0.368 nan 8.150 nan 0.000 0.443 155 M N -0.185 119.417 119.600 0.004 0.000 2.175 155 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 155 M C 1.924 178.230 176.300 0.009 0.000 1.063 155 M CA 2.168 57.470 55.300 0.003 0.000 1.119 155 M CB -0.459 32.141 32.600 0.000 0.000 1.377 155 M HN 0.366 nan 8.290 nan 0.000 0.415 156 T N -1.158 113.403 114.554 0.012 0.000 2.915 156 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 156 T C 1.945 176.657 174.700 0.019 0.000 1.071 156 T CA 1.504 63.615 62.100 0.018 0.000 1.132 156 T CB -0.326 68.552 68.868 0.018 0.000 0.878 156 T HN 0.454 nan 8.240 nan 0.000 0.479 157 S N 0.591 116.299 115.700 0.014 0.000 2.377 157 S HA 0.052 4.522 4.470 -0.000 0.000 0.223 157 S C 1.978 176.587 174.600 0.015 0.000 1.030 157 S CA 0.456 58.663 58.200 0.013 0.000 0.970 157 S CB -0.358 62.848 63.200 0.009 0.000 0.830 157 S HN 0.467 nan 8.310 nan 0.000 0.473 158 I N 1.253 121.831 120.570 0.013 0.000 2.315 158 I HA -0.069 4.101 4.170 -0.000 0.000 0.248 158 I C 0.825 176.955 176.117 0.021 0.000 1.117 158 I CA 0.566 61.874 61.300 0.013 0.000 1.404 158 I CB -0.746 37.258 38.000 0.008 0.000 1.071 158 I HN 0.184 nan 8.210 nan 0.000 0.419 159 T N 0.976 115.545 114.554 0.025 0.000 2.930 159 T HA 0.356 4.706 4.350 -0.000 0.000 0.306 159 T C 1.044 175.776 174.700 0.054 0.000 1.045 159 T CA 0.621 62.747 62.100 0.044 0.000 1.134 159 T CB 1.230 70.126 68.868 0.047 0.000 0.961 159 T HN 0.639 nan 8.240 nan 0.000 0.545 160 G N 2.494 111.338 108.800 0.074 0.000 2.376 160 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.208 160 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.208 160 G C 0.943 175.872 174.900 0.048 0.000 1.032 160 G CA 0.123 45.258 45.100 0.058 0.000 0.641 160 G HN 0.617 nan 8.290 nan 0.000 0.503 161 K N 0.735 121.160 120.400 0.041 0.000 2.323 161 K HA 0.466 4.786 4.320 -0.000 0.000 0.197 161 K C 0.937 177.561 176.600 0.041 0.000 1.043 161 K CA 0.782 57.090 56.287 0.034 0.000 0.997 161 K CB 0.726 33.241 32.500 0.025 0.000 0.807 161 K HN 1.033 nan 8.250 nan 0.000 0.497 162 G N -0.362 108.469 108.800 0.052 0.000 2.380 162 G HA2 0.305 4.265 3.960 -0.000 0.000 0.305 162 G HA3 0.305 4.265 3.960 -0.000 0.000 0.305 162 G C -0.147 174.778 174.900 0.042 0.000 1.672 162 G CA -0.313 44.820 45.100 0.055 0.000 0.904 162 G HN -0.032 nan 8.290 nan 0.000 0.686 163 A N 1.165 124.008 122.820 0.039 0.000 1.968 163 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 163 A C 2.093 179.649 177.584 -0.046 0.000 1.169 163 A CA 2.016 54.029 52.037 -0.039 0.000 0.638 163 A CB -0.185 18.720 19.000 -0.159 0.000 0.812 163 A HN 0.906 nan 8.150 nan 0.000 0.446 164 E N 1.080 121.267 120.200 -0.021 0.000 2.208 164 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 164 E C 1.423 178.018 176.600 -0.009 0.000 0.988 164 E CA 1.312 57.702 56.400 -0.018 0.000 0.828 164 E CB -0.401 29.296 29.700 -0.006 0.000 0.763 164 E HN 0.628 nan 8.360 nan 0.000 0.478 165 K N 0.858 121.257 120.400 -0.001 0.000 2.155 165 K HA 0.116 4.436 4.320 -0.000 0.000 0.203 165 K C 0.966 177.564 176.600 -0.003 0.000 1.052 165 K CA 0.852 57.140 56.287 0.003 0.000 0.948 165 K CB 0.051 32.558 32.500 0.011 0.000 0.728 165 K HN 0.116 nan 8.250 nan 0.000 0.448 166 A N 2.697 125.512 122.820 -0.009 0.000 2.671 166 A HA 0.101 4.421 4.320 -0.000 0.000 0.306 166 A C -0.378 177.193 177.584 -0.022 0.000 1.473 166 A CA 0.037 52.066 52.037 -0.014 0.000 1.155 166 A CB -0.240 18.749 19.000 -0.017 0.000 1.123 166 A HN 0.077 nan 8.150 nan 0.000 0.545 167 K N 1.459 121.850 120.400 -0.015 0.000 2.259 167 K HA 0.270 4.590 4.320 -0.000 0.000 0.252 167 K C 0.447 177.040 176.600 -0.012 0.000 0.936 167 K CA -0.734 55.544 56.287 -0.016 0.000 0.810 167 K CB 1.059 33.552 32.500 -0.012 0.000 1.143 167 K HN 0.548 nan 8.250 nan 0.000 0.427 168 E N 2.073 122.265 120.200 -0.013 0.000 2.097 168 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 168 E C 0.872 177.468 176.600 -0.006 0.000 1.000 168 E CA 1.721 58.115 56.400 -0.010 0.000 0.804 168 E CB 0.244 29.937 29.700 -0.011 0.000 0.740 168 E HN 0.502 nan 8.360 nan 0.000 0.454 169 K N 0.084 120.481 120.400 -0.005 0.000 2.155 169 K HA -0.105 4.215 4.320 -0.000 0.000 0.203 169 K C 2.221 178.820 176.600 -0.001 0.000 1.052 169 K CA 0.392 56.678 56.287 -0.002 0.000 0.948 169 K CB -0.125 32.375 32.500 -0.000 0.000 0.728 169 K HN 0.007 nan 8.250 nan 0.000 0.448 170 L N 1.016 122.238 121.223 -0.001 0.000 2.056 170 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 170 L C 2.165 179.034 176.870 -0.001 0.000 1.078 170 L CA 1.603 56.442 54.840 -0.001 0.000 0.749 170 L CB -0.450 41.608 42.059 -0.001 0.000 0.901 170 L HN 0.085 nan 8.230 nan 0.000 0.433 171 A N -1.126 121.693 122.820 -0.002 0.000 2.015 171 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 171 A C 2.126 179.709 177.584 -0.002 0.000 1.163 171 A CA 1.500 53.536 52.037 -0.002 0.000 0.646 171 A CB -0.509 18.490 19.000 -0.002 0.000 0.806 171 A HN 0.596 nan 8.150 nan 0.000 0.448 172 E N -0.389 119.810 120.200 -0.001 0.000 2.208 172 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 172 E C 1.687 178.286 176.600 -0.001 0.000 0.988 172 E CA 0.904 57.303 56.400 -0.001 0.000 0.828 172 E CB -0.196 29.504 29.700 -0.000 0.000 0.763 172 E HN 0.717 nan 8.360 nan 0.000 0.478 173 I N 0.734 121.304 120.570 -0.000 0.000 2.286 173 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 173 I C 2.193 178.308 176.117 -0.004 0.000 1.104 173 I CA 0.884 62.184 61.300 -0.001 0.000 1.397 173 I CB -0.101 37.899 38.000 0.001 0.000 1.072 173 I HN 0.068 nan 8.210 nan 0.000 0.417 174 I N -0.017 120.551 120.570 -0.004 0.000 2.226 174 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 174 I C 2.478 178.591 176.117 -0.007 0.000 1.100 174 I CA 1.066 62.362 61.300 -0.006 0.000 1.374 174 I CB -0.419 37.578 38.000 -0.004 0.000 1.057 174 I HN -0.003 nan 8.210 nan 0.000 0.413 175 V N 0.643 120.554 119.914 -0.005 0.000 2.407 175 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 175 V C 2.469 178.559 176.094 -0.008 0.000 1.055 175 V CA 2.050 64.347 62.300 -0.005 0.000 1.049 175 V CB -0.678 31.143 31.823 -0.003 0.000 0.662 175 V HN 0.475 nan 8.190 nan 0.000 0.455 176 E N -0.017 120.178 120.200 -0.008 0.000 2.153 176 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 176 E C 2.219 178.808 176.600 -0.019 0.000 0.988 176 E CA 1.186 57.579 56.400 -0.010 0.000 0.811 176 E CB -0.147 29.549 29.700 -0.007 0.000 0.746 176 E HN 0.607 nan 8.360 nan 0.000 0.466 177 A N 0.103 122.912 122.820 -0.019 0.000 1.898 177 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 177 A C 2.305 179.872 177.584 -0.029 0.000 1.183 177 A CA 1.031 53.052 52.037 -0.026 0.000 0.622 177 A CB -0.322 18.665 19.000 -0.022 0.000 0.824 177 A HN 0.189 nan 8.150 nan 0.000 0.444 178 V N -0.064 119.838 119.914 -0.021 0.000 2.453 178 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 178 V C 2.581 178.663 176.094 -0.020 0.000 1.048 178 V CA 2.133 64.422 62.300 -0.019 0.000 1.049 178 V CB -0.752 31.064 31.823 -0.012 0.000 0.672 178 V HN 0.502 nan 8.190 nan 0.000 0.457 179 S N 0.343 116.032 115.700 -0.019 0.000 2.447 179 S HA -0.022 4.447 4.470 -0.000 0.000 0.233 179 S C 2.082 176.664 174.600 -0.029 0.000 1.006 179 S CA 1.158 59.348 58.200 -0.016 0.000 0.957 179 S CB -0.223 62.972 63.200 -0.009 0.000 0.773 179 S HN 0.646 nan 8.310 nan 0.000 0.507 180 A N 1.118 123.908 122.820 -0.050 0.000 1.975 180 A HA 0.093 4.413 4.320 -0.000 0.000 0.215 180 A C 2.064 179.582 177.584 -0.110 0.000 1.170 180 A CA 0.990 52.968 52.037 -0.098 0.000 0.656 180 A CB -0.477 18.458 19.000 -0.107 0.000 0.821 180 A HN 0.509 nan 8.150 nan 0.000 0.449 181 V N -1.993 117.880 119.914 -0.069 0.000 3.646 181 V HA 0.199 4.319 4.120 -0.000 0.000 0.277 181 V C 0.458 176.533 176.094 -0.033 0.000 1.274 181 V CA -0.169 62.098 62.300 -0.055 0.000 1.164 181 V CB -0.986 30.812 31.823 -0.042 0.000 0.926 181 V HN 0.065 nan 8.190 nan 0.000 0.442 182 V N 4.313 124.212 119.914 -0.026 0.000 2.439 182 V HA 0.142 4.262 4.120 -0.000 0.000 0.271 182 V C 0.290 176.388 176.094 0.007 0.000 1.040 182 V CA -0.289 62.007 62.300 -0.006 0.000 1.002 182 V CB 0.352 32.175 31.823 0.000 0.000 1.000 182 V HN 0.721 nan 8.190 nan 0.000 0.477 183 D N 4.267 124.673 120.400 0.009 0.000 2.374 183 D HA 0.074 4.714 4.640 -0.000 0.000 0.240 183 D C -0.407 175.907 176.300 0.022 0.000 1.229 183 D CA -0.561 53.451 54.000 0.020 0.000 0.895 183 D CB 0.833 41.642 40.800 0.014 0.000 1.046 183 D HN 0.394 nan 8.370 nan 0.000 0.498 184 D N 2.733 123.152 120.400 0.033 0.000 2.383 184 D HA 0.122 4.762 4.640 -0.000 0.000 0.252 184 D C 0.089 176.401 176.300 0.020 0.000 1.166 184 D CA 0.409 54.426 54.000 0.027 0.000 0.879 184 D CB 1.162 41.983 40.800 0.035 0.000 1.164 184 D HN 0.467 nan 8.370 nan 0.000 0.462 185 E N 0.204 120.412 120.200 0.014 0.000 2.234 185 E HA 0.599 4.949 4.350 -0.000 0.000 0.266 185 E C 0.077 176.683 176.600 0.009 0.000 0.877 185 E CA -0.858 55.549 56.400 0.013 0.000 0.758 185 E CB 2.137 31.844 29.700 0.011 0.000 1.170 185 E HN 0.519 nan 8.360 nan 0.000 0.415 186 G N 3.069 111.874 108.800 0.008 0.000 5.648 186 G HA2 0.017 3.977 3.960 -0.000 0.000 0.192 186 G HA3 0.017 3.977 3.960 -0.000 0.000 0.192 186 G C -0.133 174.771 174.900 0.007 0.000 0.694 186 G CA -0.464 44.641 45.100 0.009 0.000 0.654 186 G HN 0.083 nan 8.290 nan 0.000 0.324 187 K N 0.180 120.583 120.400 0.005 0.000 2.120 187 K HA 0.554 4.874 4.320 -0.000 0.000 0.245 187 K C -0.133 176.468 176.600 0.001 0.000 1.024 187 K CA -0.412 55.877 56.287 0.003 0.000 0.906 187 K CB 2.150 34.651 32.500 0.003 0.000 1.051 187 K HN 0.007 nan 8.250 nan 0.000 0.491 188 V N 1.658 121.572 119.914 -0.001 0.000 2.378 188 V HA 0.072 4.192 4.120 -0.000 0.000 0.288 188 V C -0.464 175.628 176.094 -0.005 0.000 1.016 188 V CA -0.906 61.391 62.300 -0.004 0.000 0.840 188 V CB 1.411 33.232 31.823 -0.005 0.000 0.994 188 V HN 0.617 nan 8.190 nan 0.000 0.431 189 D N 3.516 123.912 120.400 -0.007 0.000 2.317 189 D HA 0.340 4.980 4.640 -0.000 0.000 0.234 189 D C 0.816 177.110 176.300 -0.010 0.000 1.112 189 D CA -0.399 53.597 54.000 -0.008 0.000 0.840 189 D CB 1.716 42.511 40.800 -0.007 0.000 1.078 189 D HN 0.335 nan 8.370 nan 0.000 0.486 190 K N 1.646 122.041 120.400 -0.009 0.000 2.288 190 K HA 0.002 4.322 4.320 -0.000 0.000 0.201 190 K C 0.864 177.456 176.600 -0.013 0.000 1.048 190 K CA 0.656 56.937 56.287 -0.011 0.000 0.956 190 K CB 0.272 32.767 32.500 -0.008 0.000 0.746 190 K HN 0.409 nan 8.250 nan 0.000 0.461 191 D N 0.236 120.628 120.400 -0.012 0.000 2.312 191 D HA -0.048 4.591 4.640 -0.000 0.000 0.211 191 D C 1.436 177.725 176.300 -0.018 0.000 0.964 191 D CA 0.650 54.641 54.000 -0.014 0.000 0.877 191 D CB 0.141 40.934 40.800 -0.012 0.000 0.924 191 D HN 0.172 nan 8.370 nan 0.000 0.515 192 L N 0.353 121.565 121.223 -0.019 0.000 2.291 192 L HA 0.017 4.357 4.340 -0.000 0.000 0.214 192 L C 0.908 177.761 176.870 -0.028 0.000 1.120 192 L CA 0.437 55.263 54.840 -0.023 0.000 0.799 192 L CB -0.003 42.042 42.059 -0.024 0.000 0.925 192 L HN -0.110 nan 8.230 nan 0.000 0.446 193 I N 0.514 121.069 120.570 -0.026 0.000 2.301 193 I HA 0.090 4.260 4.170 -0.000 0.000 0.292 193 I C 0.215 176.315 176.117 -0.029 0.000 1.046 193 I CA -0.343 60.940 61.300 -0.028 0.000 1.282 193 I CB 0.834 38.819 38.000 -0.025 0.000 1.409 193 I HN -0.135 nan 8.210 nan 0.000 0.484 194 K N 6.625 127.004 120.400 -0.034 0.000 2.205 194 K HA 0.547 4.866 4.320 -0.000 0.000 0.279 194 K C -0.796 175.781 176.600 -0.037 0.000 1.027 194 K CA -0.127 56.138 56.287 -0.037 0.000 0.932 194 K CB 0.736 33.209 32.500 -0.045 0.000 1.032 194 K HN 0.440 nan 8.250 nan 0.000 0.466 195 I N 2.978 123.527 120.570 -0.035 0.000 2.362 195 I HA 0.257 4.427 4.170 -0.000 0.000 0.289 195 I C -0.398 175.696 176.117 -0.038 0.000 0.994 195 I CA -0.771 60.509 61.300 -0.033 0.000 1.158 195 I CB 1.791 39.775 38.000 -0.026 0.000 1.315 195 I HN 0.501 nan 8.210 nan 0.000 0.451 196 E N 6.146 126.320 120.200 -0.042 0.000 2.187 196 E HA 0.381 4.731 4.350 -0.000 0.000 0.268 196 E C -1.197 175.378 176.600 -0.042 0.000 0.896 196 E CA -0.696 55.676 56.400 -0.047 0.000 0.766 196 E CB 1.269 30.932 29.700 -0.061 0.000 1.142 196 E HN 0.291 nan 8.360 nan 0.000 0.408 197 K N 4.165 124.541 120.400 -0.040 0.000 2.347 197 K HA 0.388 4.708 4.320 -0.000 0.000 0.262 197 K C -0.668 175.910 176.600 -0.037 0.000 1.052 197 K CA -0.813 55.452 56.287 -0.036 0.000 0.946 197 K CB 0.876 33.354 32.500 -0.037 0.000 1.220 197 K HN 0.188 nan 8.250 nan 0.000 0.450 198 K N 1.002 121.382 120.400 -0.034 0.000 2.435 198 K HA 0.329 4.649 4.320 -0.000 0.000 0.251 198 K C 0.179 176.767 176.600 -0.020 0.000 0.954 198 K CA -0.556 55.713 56.287 -0.030 0.000 0.820 198 K CB 1.996 34.474 32.500 -0.038 0.000 1.292 198 K HN 0.633 nan 8.250 nan 0.000 0.436 199 S N -0.511 115.181 115.700 -0.014 0.000 2.552 199 S HA 0.786 5.255 4.470 -0.000 0.000 0.271 199 S C 0.434 175.036 174.600 0.003 0.000 1.168 199 S CA 0.185 58.381 58.200 -0.005 0.000 1.026 199 S CB 0.528 63.725 63.200 -0.004 0.000 1.120 199 S HN 0.982 nan 8.310 nan 0.000 0.514 200 G N -1.000 107.806 108.800 0.009 0.000 2.697 200 G HA2 0.447 4.407 3.960 -0.000 0.000 0.686 200 G HA3 0.447 4.407 3.960 -0.000 0.000 0.686 200 G C -0.147 174.763 174.900 0.017 0.000 1.179 200 G CA -0.474 44.636 45.100 0.016 0.000 0.765 200 G HN 1.727 nan 8.290 nan 0.000 0.649 201 A N 1.279 124.110 122.820 0.018 0.000 2.535 201 A HA 0.645 4.965 4.320 -0.000 0.000 0.290 201 A C 1.140 178.735 177.584 0.019 0.000 1.270 201 A CA 1.842 53.889 52.037 0.017 0.000 0.937 201 A CB -0.061 18.949 19.000 0.016 0.000 1.096 201 A HN 2.238 nan 8.150 nan 0.000 0.534 202 S N 1.671 117.380 115.700 0.016 0.000 4.107 202 S HA 0.556 5.026 4.470 -0.000 0.000 0.196 202 S C 1.134 175.742 174.600 0.013 0.000 1.125 202 S CA 0.507 58.717 58.200 0.017 0.000 1.614 202 S CB -0.436 62.773 63.200 0.016 0.000 1.234 202 S HN 1.163 nan 8.310 nan 0.000 0.799 203 I N 0.758 121.335 120.570 0.011 0.000 4.172 203 I HA -0.358 3.811 4.170 -0.000 0.000 0.099 203 I C 0.572 176.695 176.117 0.009 0.000 0.511 203 I CA 1.976 63.281 61.300 0.009 0.000 1.179 203 I CB -1.212 36.794 38.000 0.009 0.000 1.046 203 I HN 0.430 nan 8.210 nan 0.000 0.184 204 D N 0.404 120.811 120.400 0.011 0.000 2.355 204 D HA 0.012 4.652 4.640 -0.000 0.000 0.206 204 D C 1.155 177.465 176.300 0.016 0.000 1.010 204 D CA 0.818 54.825 54.000 0.011 0.000 0.875 204 D CB -0.105 40.700 40.800 0.009 0.000 0.966 204 D HN 0.433 nan 8.370 nan 0.000 0.512 205 D N 0.296 120.708 120.400 0.021 0.000 2.336 205 D HA -0.017 4.622 4.640 -0.000 0.000 0.229 205 D C 0.149 176.468 176.300 0.032 0.000 1.061 205 D CA 0.286 54.305 54.000 0.032 0.000 0.875 205 D CB -0.390 40.433 40.800 0.038 0.000 0.904 205 D HN 0.137 nan 8.370 nan 0.000 0.525 206 T N -0.110 114.456 114.554 0.020 0.000 2.784 206 T HA 0.204 4.554 4.350 -0.000 0.000 0.291 206 T C 0.232 174.942 174.700 0.017 0.000 0.942 206 T CA -0.617 61.491 62.100 0.013 0.000 1.161 206 T CB 0.531 69.403 68.868 0.005 0.000 0.885 206 T HN 0.228 nan 8.240 nan 0.000 0.534 207 E N 2.783 122.994 120.200 0.017 0.000 2.227 207 E HA 0.539 4.889 4.350 -0.000 0.000 0.268 207 E C -0.929 175.676 176.600 0.009 0.000 0.907 207 E CA -1.393 55.023 56.400 0.027 0.000 0.786 207 E CB 1.380 31.117 29.700 0.061 0.000 1.191 207 E HN 0.485 nan 8.360 nan 0.000 0.411 208 L N 3.391 124.622 121.223 0.013 0.000 2.325 208 L HA 0.336 4.676 4.340 -0.000 0.000 0.284 208 L C -1.072 175.800 176.870 0.004 0.000 1.089 208 L CA 0.026 54.868 54.840 0.003 0.000 0.836 208 L CB 0.132 42.193 42.059 0.003 0.000 1.184 208 L HN 0.582 nan 8.230 nan 0.000 0.444 209 I N 5.766 126.328 120.570 -0.014 0.000 2.306 209 I HA 0.201 4.371 4.170 -0.000 0.000 0.288 209 I C 0.552 176.655 176.117 -0.023 0.000 1.036 209 I CA -0.462 60.827 61.300 -0.019 0.000 1.221 209 I CB 0.750 38.719 38.000 -0.052 0.000 1.385 209 I HN 0.561 nan 8.210 nan 0.000 0.472 210 K N 5.212 125.605 120.400 -0.012 0.000 3.358 210 K HA 0.239 4.559 4.320 -0.000 0.000 0.297 210 K C 0.411 177.001 176.600 -0.016 0.000 1.064 210 K CA -0.262 56.015 56.287 -0.017 0.000 1.144 210 K CB -0.117 32.378 32.500 -0.009 0.000 1.289 210 K HN 0.819 nan 8.250 nan 0.000 0.372 211 G N -0.806 107.975 108.800 -0.031 0.000 2.576 211 G HA2 0.412 4.372 3.960 -0.000 0.000 0.290 211 G HA3 0.412 4.372 3.960 -0.000 0.000 0.290 211 G C -1.590 173.267 174.900 -0.072 0.000 1.442 211 G CA -0.669 44.409 45.100 -0.036 0.000 0.792 211 G HN -0.011 nan 8.290 nan 0.000 0.491 212 V N 0.215 120.073 119.914 -0.093 0.000 2.628 212 V HA 0.629 4.749 4.120 -0.000 0.000 0.306 212 V C -0.622 175.374 176.094 -0.164 0.000 1.045 212 V CA -0.795 61.424 62.300 -0.135 0.000 0.905 212 V CB 1.765 33.483 31.823 -0.176 0.000 0.997 212 V HN 0.651 nan 8.190 nan 0.000 0.436 213 L N 4.842 125.948 121.223 -0.195 0.000 2.283 213 L HA 0.512 4.852 4.340 -0.000 0.000 0.281 213 L C -0.347 176.427 176.870 -0.159 0.000 1.033 213 L CA 0.067 54.755 54.840 -0.253 0.000 0.848 213 L CB 1.355 43.197 42.059 -0.362 0.000 1.226 213 L HN 0.513 nan 8.230 nan 0.000 0.429 214 V N 3.353 123.210 119.914 -0.094 0.000 2.461 214 V HA 0.105 4.225 4.120 -0.000 0.000 0.275 214 V C 0.266 176.368 176.094 0.013 0.000 1.047 214 V CA -0.464 61.821 62.300 -0.026 0.000 0.955 214 V CB 1.345 33.211 31.823 0.071 0.000 0.988 214 V HN 0.608 nan 8.190 nan 0.000 0.471 215 D N 5.121 125.522 120.400 0.002 0.000 2.688 215 D HA 0.239 4.879 4.640 -0.000 0.000 0.228 215 D C 0.079 176.404 176.300 0.041 0.000 1.116 215 D CA 0.458 54.466 54.000 0.013 0.000 1.023 215 D CB -0.178 40.620 40.800 -0.003 0.000 1.100 215 D HN 0.518 nan 8.370 nan 0.000 0.487 216 K N 0.634 121.074 120.400 0.067 0.000 2.556 216 K HA 0.365 4.685 4.320 -0.000 0.000 0.289 216 K C -0.567 176.074 176.600 0.068 0.000 1.040 216 K CA -0.671 55.658 56.287 0.071 0.000 0.894 216 K CB 1.751 34.310 32.500 0.098 0.000 1.547 216 K HN 0.101 nan 8.250 nan 0.000 0.417 217 E N 0.368 120.595 120.200 0.044 0.000 2.538 217 E HA 0.341 4.690 4.350 -0.000 0.000 0.232 217 E C -0.819 175.779 176.600 -0.003 0.000 0.830 217 E CA -1.003 55.414 56.400 0.028 0.000 0.916 217 E CB 1.203 30.916 29.700 0.022 0.000 1.567 217 E HN 0.433 nan 8.360 nan 0.000 0.389 218 R N 0.388 120.880 120.500 -0.015 0.000 2.404 218 R HA 0.281 4.621 4.340 -0.000 0.000 0.291 218 R C 0.635 176.916 176.300 -0.031 0.000 1.025 218 R CA -0.411 55.665 56.100 -0.040 0.000 0.991 218 R CB 1.023 31.300 30.300 -0.038 0.000 1.053 218 R HN 0.314 nan 8.270 nan 0.000 0.479 219 V N 1.431 121.319 119.914 -0.042 0.000 2.626 219 V HA -0.092 4.028 4.120 -0.000 0.000 0.252 219 V C 0.348 176.428 176.094 -0.022 0.000 1.067 219 V CA 1.921 64.204 62.300 -0.028 0.000 1.081 219 V CB 0.194 31.999 31.823 -0.031 0.000 0.686 219 V HN 0.870 nan 8.190 nan 0.000 0.468 220 S N -1.988 113.696 115.700 -0.027 0.000 2.547 220 S HA 0.665 5.135 4.470 -0.000 0.000 0.281 220 S C 0.594 175.182 174.600 -0.021 0.000 1.118 220 S CA -0.128 58.059 58.200 -0.021 0.000 0.947 220 S CB 1.841 65.026 63.200 -0.024 0.000 1.053 220 S HN 0.443 nan 8.310 nan 0.000 0.482 221 A N 3.036 125.848 122.820 -0.014 0.000 2.209 221 A HA 0.039 4.359 4.320 -0.000 0.000 0.212 221 A C 1.727 179.303 177.584 -0.014 0.000 1.158 221 A CA 0.944 52.974 52.037 -0.012 0.000 0.742 221 A CB -0.410 18.586 19.000 -0.008 0.000 0.790 221 A HN 0.862 nan 8.150 nan 0.000 0.472 222 Q N -0.929 118.860 119.800 -0.018 0.000 2.389 222 Q HA 0.134 4.473 4.340 -0.000 0.000 0.204 222 Q C 0.392 176.375 176.000 -0.028 0.000 0.944 222 Q CA 0.089 55.879 55.803 -0.021 0.000 0.908 222 Q CB -0.046 28.678 28.738 -0.024 0.000 1.002 222 Q HN 0.692 nan 8.270 nan 0.000 0.493 223 M N 1.595 121.176 119.600 -0.031 0.000 2.255 223 M HA 0.243 4.723 4.480 -0.000 0.000 0.336 223 M C -2.050 174.232 176.300 -0.029 0.000 1.135 223 M CA -1.952 53.327 55.300 -0.036 0.000 1.145 223 M CB 0.638 33.212 32.600 -0.044 0.000 1.473 223 M HN -0.088 nan 8.290 nan 0.000 0.462 224 P HA 0.027 nan 4.420 nan 0.000 0.270 224 P C -0.329 176.959 177.300 -0.019 0.000 1.227 224 P CA 0.091 63.179 63.100 -0.021 0.000 0.788 224 P CB 0.615 32.304 31.700 -0.020 0.000 0.926 225 K N 0.127 120.520 120.400 -0.012 0.000 2.399 225 K HA 0.146 4.466 4.320 -0.000 0.000 0.196 225 K C 0.236 176.836 176.600 -0.001 0.000 1.117 225 K CA 0.356 56.639 56.287 -0.007 0.000 0.965 225 K CB 0.418 32.913 32.500 -0.008 0.000 0.983 225 K HN 0.202 nan 8.250 nan 0.000 0.531 226 K N 1.021 121.419 120.400 -0.003 0.000 2.553 226 K HA 0.304 4.624 4.320 -0.000 0.000 0.250 226 K C -1.792 174.810 176.600 0.004 0.000 0.953 226 K CA -0.674 55.615 56.287 0.003 0.000 0.800 226 K CB 2.178 34.675 32.500 -0.004 0.000 1.243 226 K HN -0.164 nan 8.250 nan 0.000 0.435 227 V N 1.816 121.737 119.914 0.012 0.000 2.876 227 V HA 0.491 4.611 4.120 -0.000 0.000 0.312 227 V C -0.529 175.575 176.094 0.018 0.000 1.085 227 V CA -0.896 61.411 62.300 0.011 0.000 0.945 227 V CB 2.138 33.967 31.823 0.010 0.000 1.017 227 V HN 0.837 nan 8.190 nan 0.000 0.428 228 T N 1.833 116.396 114.554 0.015 0.000 2.829 228 T HA 0.422 4.772 4.350 -0.000 0.000 0.282 228 T C -0.448 174.263 174.700 0.019 0.000 0.990 228 T CA -0.273 61.837 62.100 0.017 0.000 1.028 228 T CB 0.748 69.624 68.868 0.012 0.000 0.951 228 T HN 0.851 nan 8.240 nan 0.000 0.460 229 D N 0.575 120.989 120.400 0.023 0.000 2.697 229 D HA -0.141 4.499 4.640 -0.000 0.000 0.238 229 D C 0.214 176.529 176.300 0.026 0.000 1.152 229 D CA 0.627 54.641 54.000 0.024 0.000 0.666 229 D CB -1.194 39.617 40.800 0.018 0.000 1.037 229 D HN 0.818 nan 8.370 nan 0.000 0.423 230 A N 0.596 123.436 122.820 0.033 0.000 2.401 230 A HA 0.415 4.735 4.320 -0.000 0.000 0.259 230 A C 0.522 178.130 177.584 0.040 0.000 1.103 230 A CA -0.201 51.857 52.037 0.035 0.000 0.789 230 A CB 0.723 19.749 19.000 0.043 0.000 1.035 230 A HN 0.095 nan 8.150 nan 0.000 0.491 231 K N 1.866 122.287 120.400 0.035 0.000 2.234 231 K HA 0.550 4.870 4.320 -0.000 0.000 0.277 231 K C -1.008 175.622 176.600 0.050 0.000 1.038 231 K CA 0.324 56.634 56.287 0.038 0.000 0.888 231 K CB 1.286 33.803 32.500 0.027 0.000 1.091 231 K HN 0.570 nan 8.250 nan 0.000 0.467 232 I N 2.419 123.030 120.570 0.069 0.000 2.330 232 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 232 I C -0.209 175.965 176.117 0.096 0.000 1.001 232 I CA -0.948 60.416 61.300 0.107 0.000 1.193 232 I CB 1.799 39.903 38.000 0.174 0.000 1.345 232 I HN 0.578 nan 8.210 nan 0.000 0.461 233 A N 7.526 130.399 122.820 0.088 0.000 2.279 233 A HA 0.609 4.929 4.320 -0.000 0.000 0.306 233 A C -0.549 177.100 177.584 0.108 0.000 1.300 233 A CA -0.412 51.670 52.037 0.075 0.000 0.925 233 A CB 0.133 19.161 19.000 0.047 0.000 1.152 233 A HN 0.625 nan 8.150 nan 0.000 0.544 234 L N 3.848 125.130 121.223 0.099 0.000 2.302 234 L HA 0.281 4.621 4.340 -0.000 0.000 0.285 234 L C -0.176 176.739 176.870 0.075 0.000 1.090 234 L CA 0.576 55.480 54.840 0.107 0.000 0.866 234 L CB 0.366 42.463 42.059 0.064 0.000 1.244 234 L HN 0.604 nan 8.230 nan 0.000 0.435 235 L N 2.970 124.243 121.223 0.083 0.000 2.292 235 L HA 0.302 4.642 4.340 -0.000 0.000 0.284 235 L C 1.087 177.990 176.870 0.053 0.000 1.065 235 L CA -0.262 54.612 54.840 0.057 0.000 0.806 235 L CB 1.187 43.276 42.059 0.049 0.000 1.175 235 L HN 0.518 nan 8.230 nan 0.000 0.431 236 N N 0.950 119.672 118.700 0.037 0.000 2.388 236 N HA -0.016 4.724 4.740 -0.000 0.000 0.176 236 N C 0.303 175.829 175.510 0.027 0.000 1.062 236 N CA -0.016 53.053 53.050 0.030 0.000 0.895 236 N CB 0.348 38.847 38.487 0.021 0.000 1.018 236 N HN 0.588 nan 8.380 nan 0.000 0.456 237 C N 0.937 120.252 119.300 0.025 0.000 2.595 237 C HA 0.753 5.213 4.460 -0.000 0.000 0.384 237 C C 0.514 175.518 174.990 0.025 0.000 1.289 237 C CA -0.719 58.312 59.018 0.022 0.000 2.372 237 C CB -0.486 27.266 27.740 0.020 0.000 2.593 237 C HN 0.487 nan 8.230 nan 0.000 0.639 238 A N 4.348 127.181 122.820 0.022 0.000 2.328 238 A HA 0.562 4.882 4.320 -0.000 0.000 0.284 238 A C 0.080 177.678 177.584 0.024 0.000 1.160 238 A CA -0.389 51.662 52.037 0.023 0.000 0.818 238 A CB 0.007 19.019 19.000 0.020 0.000 1.087 238 A HN 0.817 nan 8.150 nan 0.000 0.504 239 I N 2.675 123.261 120.570 0.026 0.000 2.664 239 I HA 0.105 4.275 4.170 -0.000 0.000 0.291 239 I C 0.506 176.644 176.117 0.034 0.000 1.120 239 I CA 0.287 61.605 61.300 0.030 0.000 1.503 239 I CB -0.757 37.262 38.000 0.032 0.000 1.506 239 I HN 0.684 nan 8.210 nan 0.000 0.621 264 T N -3.730 110.841 114.554 0.027 0.000 2.709 264 T HA 0.742 5.092 4.350 -0.000 0.000 0.174 264 T C 1.179 175.892 174.700 0.021 0.000 0.774 264 T CA 1.766 63.879 62.100 0.021 0.000 1.309 264 T CB 0.465 69.344 68.868 0.018 0.000 2.586 264 T HN 1.987 nan 8.240 nan 0.000 0.401 265 A N -0.038 122.796 122.820 0.024 0.000 2.519 265 A HA 0.653 4.972 4.320 -0.000 0.000 0.236 265 A C 0.514 178.116 177.584 0.031 0.000 0.875 265 A CA 0.161 52.211 52.037 0.022 0.000 1.172 265 A CB 0.176 19.182 19.000 0.010 0.000 1.211 265 A HN 0.537 nan 8.150 nan 0.000 0.454 266 S N 1.766 117.490 115.700 0.041 0.000 2.526 266 S HA 0.316 4.786 4.470 -0.000 0.000 0.220 266 S C 0.268 174.900 174.600 0.055 0.000 1.159 266 S CA 0.402 58.626 58.200 0.041 0.000 1.196 266 S CB -0.683 62.532 63.200 0.025 0.000 1.225 266 S HN 0.839 nan 8.310 nan 0.000 0.432 267 E N 0.771 121.032 120.200 0.102 0.000 2.103 267 E HA -0.247 4.103 4.350 -0.000 0.000 0.186 267 E C 0.119 176.744 176.600 0.042 0.000 1.392 267 E CA 0.745 57.224 56.400 0.133 0.000 0.691 267 E CB -1.651 28.115 29.700 0.110 0.000 1.068 267 E HN 0.692 nan 8.360 nan 0.000 0.328 268 M N 0.400 120.033 119.600 0.056 0.000 2.505 268 M HA 0.083 4.563 4.480 -0.000 0.000 0.230 268 M C 0.401 176.716 176.300 0.025 0.000 1.153 268 M CA 0.120 55.435 55.300 0.025 0.000 0.997 268 M CB 0.253 32.870 32.600 0.027 0.000 1.606 268 M HN 0.242 nan 8.290 nan 0.000 0.481 269 L N -1.127 120.123 121.223 0.045 0.000 2.701 269 L HA 0.156 4.496 4.340 -0.000 0.000 0.238 269 L C 1.771 178.628 176.870 -0.021 0.000 1.106 269 L CA 0.626 55.502 54.840 0.060 0.000 0.898 269 L CB -0.338 41.820 42.059 0.165 0.000 1.188 269 L HN 0.068 nan 8.230 nan 0.000 0.508 270 K N 0.278 120.573 120.400 -0.174 0.000 2.211 270 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 270 K C 1.046 177.559 176.600 -0.145 0.000 1.047 270 K CA 1.355 57.457 56.287 -0.308 0.000 0.935 270 K CB 0.012 32.259 32.500 -0.421 0.000 0.728 270 K HN 0.284 nan 8.250 nan 0.000 0.452 271 D N 0.556 120.905 120.400 -0.085 0.000 2.120 271 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 271 D C 1.846 178.130 176.300 -0.028 0.000 0.972 271 D CA 1.109 55.080 54.000 -0.048 0.000 0.837 271 D CB -0.045 40.736 40.800 -0.032 0.000 0.989 271 D HN 0.123 nan 8.370 nan 0.000 0.469 272 M N 0.166 119.758 119.600 -0.013 0.000 2.117 272 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 272 M C 2.167 178.472 176.300 0.008 0.000 1.065 272 M CA 0.880 56.183 55.300 0.005 0.000 1.114 272 M CB -0.033 32.579 32.600 0.021 0.000 1.361 272 M HN -0.098 nan 8.290 nan 0.000 0.408 273 V N 0.187 120.106 119.914 0.010 0.000 2.427 273 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 273 V C 2.568 178.660 176.094 -0.003 0.000 1.051 273 V CA 1.884 64.195 62.300 0.018 0.000 1.048 273 V CB -1.122 30.731 31.823 0.050 0.000 0.666 273 V HN 0.502 nan 8.190 nan 0.000 0.456 274 A N -0.468 122.338 122.820 -0.024 0.000 2.015 274 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 274 A C 2.140 179.715 177.584 -0.014 0.000 1.163 274 A CA 1.532 53.554 52.037 -0.025 0.000 0.646 274 A CB -0.386 18.590 19.000 -0.040 0.000 0.806 274 A HN 0.604 nan 8.150 nan 0.000 0.448 275 E N -0.373 119.821 120.200 -0.010 0.000 2.204 275 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 275 E C 1.669 178.270 176.600 0.002 0.000 0.989 275 E CA 0.965 57.363 56.400 -0.004 0.000 0.824 275 E CB -0.197 29.502 29.700 -0.001 0.000 0.756 275 E HN 0.730 nan 8.360 nan 0.000 0.477 276 I N 0.875 121.447 120.570 0.004 0.000 2.353 276 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 276 I C 2.445 178.565 176.117 0.004 0.000 1.119 276 I CA 0.919 62.223 61.300 0.007 0.000 1.417 276 I CB -0.080 37.926 38.000 0.009 0.000 1.078 276 I HN -0.054 nan 8.210 nan 0.000 0.421 277 K N 1.271 121.671 120.400 -0.000 0.000 2.288 277 K HA -0.072 4.248 4.320 -0.000 0.000 0.201 277 K C 2.147 178.746 176.600 -0.002 0.000 1.048 277 K CA 0.999 57.285 56.287 -0.002 0.000 0.956 277 K CB 0.031 32.527 32.500 -0.006 0.000 0.746 277 K HN 0.295 nan 8.250 nan 0.000 0.461 278 A N 0.871 123.689 122.820 -0.002 0.000 1.930 278 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 278 A C 2.072 179.657 177.584 0.002 0.000 1.175 278 A CA 2.030 54.066 52.037 -0.002 0.000 0.627 278 A CB -0.492 18.506 19.000 -0.003 0.000 0.815 278 A HN 0.498 nan 8.150 nan 0.000 0.443 279 S N -1.693 114.009 115.700 0.004 0.000 2.377 279 S HA 0.339 4.809 4.470 -0.000 0.000 0.223 279 S C 1.417 176.021 174.600 0.008 0.000 1.030 279 S CA 1.190 59.394 58.200 0.007 0.000 0.970 279 S CB -0.563 62.643 63.200 0.011 0.000 0.830 279 S HN 1.970 nan 8.310 nan 0.000 0.473 280 G N 0.738 109.542 108.800 0.007 0.000 2.327 280 G HA2 0.226 4.186 3.960 -0.000 0.000 0.159 280 G HA3 0.226 4.186 3.960 -0.000 0.000 0.159 280 G C -0.164 174.742 174.900 0.010 0.000 1.056 280 G CA -0.328 44.776 45.100 0.007 0.000 0.751 280 G HN 1.189 nan 8.290 nan 0.000 0.488 281 A N 0.467 123.293 122.820 0.010 0.000 2.256 281 A HA 0.677 4.997 4.320 -0.000 0.000 0.317 281 A C 1.094 178.681 177.584 0.005 0.000 1.318 281 A CA 0.136 52.181 52.037 0.014 0.000 0.894 281 A CB 0.386 19.398 19.000 0.021 0.000 1.165 281 A HN 0.804 nan 8.150 nan 0.000 0.525 282 N N 1.963 120.665 118.700 0.004 0.000 2.446 282 N HA -0.004 4.736 4.740 -0.000 0.000 0.179 282 N C -0.109 175.390 175.510 -0.019 0.000 1.054 282 N CA 0.615 53.661 53.050 -0.006 0.000 0.905 282 N CB -0.059 38.426 38.487 -0.002 0.000 0.973 282 N HN 0.260 nan 8.380 nan 0.000 0.448 283 V N 0.975 120.882 119.914 -0.013 0.000 2.555 283 V HA 0.474 4.594 4.120 -0.000 0.000 0.302 283 V C -1.021 175.046 176.094 -0.044 0.000 1.038 283 V CA -0.980 61.292 62.300 -0.046 0.000 0.887 283 V CB 1.875 33.694 31.823 -0.008 0.000 0.991 283 V HN 0.136 nan 8.190 nan 0.000 0.434 284 L N 5.093 126.234 121.223 -0.136 0.000 2.406 284 L HA 0.616 4.956 4.340 -0.000 0.000 0.270 284 L C -1.349 175.406 176.870 -0.191 0.000 0.982 284 L CA 0.089 54.877 54.840 -0.086 0.000 0.843 284 L CB 1.286 43.311 42.059 -0.057 0.000 1.225 284 L HN 0.496 nan 8.230 nan 0.000 0.412 285 F N 4.792 124.747 119.950 0.009 0.000 2.361 285 F HA 0.414 4.941 4.527 -0.000 0.000 0.364 285 F C 0.231 176.035 175.800 0.006 0.000 1.120 285 F CA -0.205 57.798 58.000 0.006 0.000 1.102 285 F CB 1.153 40.155 39.000 0.004 0.000 1.183 285 F HN 0.469 nan 8.300 nan 0.000 0.476 286 C N 5.203 124.596 119.300 0.155 0.000 2.329 286 C HA 0.242 4.702 4.460 -0.000 0.000 0.329 286 C C 1.453 176.505 174.990 0.104 0.000 1.275 286 C CA -0.364 58.714 59.018 0.100 0.000 1.726 286 C CB 0.722 28.492 27.740 0.050 0.000 2.291 286 C HN 1.036 nan 8.230 nan 0.000 0.514 287 Q N 2.764 122.611 119.800 0.078 0.000 2.137 287 Q HA 0.028 4.367 4.340 -0.000 0.000 0.198 287 Q C 1.104 177.130 176.000 0.043 0.000 0.960 287 Q CA 1.099 56.937 55.803 0.058 0.000 0.847 287 Q CB 0.223 28.985 28.738 0.039 0.000 0.915 287 Q HN 0.664 nan 8.270 nan 0.000 0.448 288 K N -0.353 120.069 120.400 0.037 0.000 2.836 288 K HA 0.322 4.642 4.320 -0.000 0.000 0.300 288 K C 0.010 176.627 176.600 0.028 0.000 1.004 288 K CA 0.033 56.337 56.287 0.028 0.000 1.140 288 K CB -0.219 32.295 32.500 0.024 0.000 1.458 288 K HN 0.135 nan 8.250 nan 0.000 0.550 289 G N 0.702 109.515 108.800 0.023 0.000 2.348 289 G HA2 0.515 4.475 3.960 -0.000 0.000 0.312 289 G HA3 0.515 4.475 3.960 -0.000 0.000 0.312 289 G C -0.304 174.608 174.900 0.020 0.000 1.126 289 G CA -0.565 44.547 45.100 0.020 0.000 0.865 289 G HN 0.304 nan 8.290 nan 0.000 0.474 290 I N 1.856 122.437 120.570 0.017 0.000 2.331 290 I HA 0.177 4.347 4.170 -0.000 0.000 0.292 290 I C 0.144 176.271 176.117 0.017 0.000 0.998 290 I CA -0.763 60.548 61.300 0.018 0.000 1.267 290 I CB 1.574 39.581 38.000 0.011 0.000 1.386 290 I HN 0.344 nan 8.210 nan 0.000 0.476 291 D N 4.083 124.497 120.400 0.023 0.000 2.339 291 D HA -0.056 4.584 4.640 -0.000 0.000 0.245 291 D C 0.586 176.895 176.300 0.016 0.000 1.115 291 D CA 0.034 54.047 54.000 0.021 0.000 0.917 291 D CB 1.518 42.336 40.800 0.030 0.000 1.192 291 D HN 0.589 nan 8.370 nan 0.000 0.428 292 D N 1.698 122.100 120.400 0.004 0.000 2.178 292 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 292 D C 2.060 178.341 176.300 -0.032 0.000 0.980 292 D CA 0.909 54.901 54.000 -0.013 0.000 0.842 292 D CB 0.110 40.898 40.800 -0.020 0.000 0.948 292 D HN 0.382 nan 8.370 nan 0.000 0.472 293 L N -0.130 121.082 121.223 -0.019 0.000 2.056 293 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 293 L C 2.509 179.359 176.870 -0.034 0.000 1.078 293 L CA 1.156 55.967 54.840 -0.049 0.000 0.749 293 L CB -0.384 41.712 42.059 0.063 0.000 0.901 293 L HN 0.006 nan 8.230 nan 0.000 0.433 294 A N -0.741 122.133 122.820 0.090 0.000 2.015 294 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 294 A C 2.196 179.820 177.584 0.066 0.000 1.163 294 A CA 1.189 53.317 52.037 0.152 0.000 0.646 294 A CB -0.349 18.719 19.000 0.113 0.000 0.806 294 A HN 0.483 nan 8.150 nan 0.000 0.448 295 Q N -1.320 118.486 119.800 0.009 0.000 2.124 295 Q HA -0.198 4.141 4.340 -0.000 0.000 0.202 295 Q C 2.118 178.099 176.000 -0.031 0.000 0.977 295 Q CA 1.470 57.267 55.803 -0.010 0.000 0.850 295 Q CB -0.334 28.396 28.738 -0.013 0.000 0.901 295 Q HN 0.934 nan 8.270 nan 0.000 0.429 296 H N -0.365 118.589 119.070 -0.192 0.000 2.363 296 H HA -0.124 4.431 4.556 -0.000 0.000 0.301 296 H C 1.364 176.581 175.328 -0.185 0.000 1.074 296 H CA 1.343 57.241 56.048 -0.250 0.000 1.354 296 H CB 0.126 29.638 29.762 -0.416 0.000 1.397 296 H HN 0.260 nan 8.280 nan 0.000 0.516 297 Y N 0.822 121.088 120.300 -0.057 0.000 2.263 297 Y HA -0.080 4.469 4.550 -0.000 0.000 0.292 297 Y C 2.929 178.762 175.900 -0.112 0.000 1.130 297 Y CA 0.579 58.617 58.100 -0.104 0.000 1.179 297 Y CB -0.586 37.885 38.460 0.018 0.000 0.998 297 Y HN 0.112 nan 8.280 nan 0.000 0.532 298 L N -0.885 120.377 121.223 0.064 0.000 2.141 298 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 298 L C 2.527 179.375 176.870 -0.038 0.000 1.094 298 L CA 1.054 55.901 54.840 0.012 0.000 0.763 298 L CB -0.602 41.462 42.059 0.007 0.000 0.908 298 L HN 0.203 nan 8.230 nan 0.000 0.437 299 A N -0.482 122.290 122.820 -0.080 0.000 2.014 299 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 299 A C 2.358 179.869 177.584 -0.121 0.000 1.163 299 A CA 1.248 53.227 52.037 -0.097 0.000 0.652 299 A CB -0.263 18.675 19.000 -0.103 0.000 0.808 299 A HN 0.276 nan 8.150 nan 0.000 0.449 300 K N -0.244 120.049 120.400 -0.179 0.000 2.103 300 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 300 K C 1.643 178.205 176.600 -0.063 0.000 1.052 300 K CA 1.277 57.472 56.287 -0.153 0.000 0.945 300 K CB -0.015 32.365 32.500 -0.199 0.000 0.722 300 K HN 0.440 nan 8.250 nan 0.000 0.443 301 E N -0.898 119.278 120.200 -0.040 0.000 2.112 301 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 301 E C 1.195 177.780 176.600 -0.024 0.000 0.979 301 E CA 1.238 57.625 56.400 -0.021 0.000 0.814 301 E CB 0.298 29.992 29.700 -0.009 0.000 0.762 301 E HN 0.567 nan 8.360 nan 0.000 0.460 302 G N 1.194 109.975 108.800 -0.032 0.000 2.159 302 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.170 302 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.170 302 G C 0.170 175.053 174.900 -0.029 0.000 1.007 302 G CA -0.109 44.974 45.100 -0.029 0.000 0.672 302 G HN 0.143 nan 8.290 nan 0.000 0.507 303 I N 1.730 122.282 120.570 -0.030 0.000 2.371 303 I HA 0.390 4.560 4.170 -0.000 0.000 0.290 303 I C 0.772 176.860 176.117 -0.049 0.000 1.028 303 I CA -0.950 60.330 61.300 -0.033 0.000 1.345 303 I CB 1.562 39.548 38.000 -0.024 0.000 1.407 303 I HN -0.112 nan 8.210 nan 0.000 0.501 304 V N 6.071 125.946 119.914 -0.065 0.000 2.498 304 V HA 0.651 4.771 4.120 -0.000 0.000 0.279 304 V C 0.478 176.488 176.094 -0.139 0.000 1.048 304 V CA -0.323 61.921 62.300 -0.093 0.000 0.967 304 V CB 0.977 32.742 31.823 -0.097 0.000 0.988 304 V HN 0.874 nan 8.190 nan 0.000 0.473 305 A N 3.885 126.623 122.820 -0.138 0.000 2.454 305 A HA 0.998 5.318 4.320 -0.000 0.000 0.302 305 A C -0.456 177.024 177.584 -0.175 0.000 1.079 305 A CA -0.378 51.562 52.037 -0.161 0.000 0.731 305 A CB 1.980 20.929 19.000 -0.085 0.000 1.299 305 A HN 1.435 nan 8.150 nan 0.000 0.413 306 A N 1.299 124.001 122.820 -0.197 0.000 2.398 306 A HA 0.740 5.059 4.320 -0.000 0.000 0.301 306 A C -0.327 177.242 177.584 -0.024 0.000 1.041 306 A CA -0.750 51.214 52.037 -0.121 0.000 0.711 306 A CB 0.939 19.830 19.000 -0.182 0.000 1.240 306 A HN 1.148 nan 8.150 nan 0.000 0.420 307 R N 1.944 122.446 120.500 0.004 0.000 2.346 307 R HA 0.752 5.091 4.340 -0.000 0.000 0.311 307 R C -0.524 175.800 176.300 0.040 0.000 0.983 307 R CA -0.730 55.383 56.100 0.023 0.000 0.880 307 R CB 0.809 31.116 30.300 0.012 0.000 1.100 307 R HN 0.687 nan 8.270 nan 0.000 0.453 308 R N 0.868 121.396 120.500 0.047 0.000 3.144 308 R HA -0.114 4.225 4.340 -0.000 0.000 0.255 308 R C -0.885 175.448 176.300 0.056 0.000 0.949 308 R CA 0.455 56.582 56.100 0.044 0.000 0.649 308 R CB -1.613 28.705 30.300 0.029 0.000 1.229 308 R HN 0.488 nan 8.270 nan 0.000 0.440 309 V N 2.519 122.481 119.914 0.081 0.000 2.546 309 V HA 0.143 4.263 4.120 -0.000 0.000 0.284 309 V C 1.136 177.253 176.094 0.037 0.000 1.050 309 V CA -0.583 61.767 62.300 0.084 0.000 0.981 309 V CB 1.570 33.488 31.823 0.159 0.000 0.990 309 V HN 0.155 nan 8.190 nan 0.000 0.474 310 K N 3.248 123.657 120.400 0.015 0.000 2.527 310 K HA -0.038 4.281 4.320 -0.000 0.000 0.278 310 K C 1.233 177.824 176.600 -0.015 0.000 0.981 310 K CA 0.276 56.561 56.287 -0.003 0.000 1.009 310 K CB 0.465 32.957 32.500 -0.013 0.000 0.895 310 K HN 0.591 nan 8.250 nan 0.000 0.493 311 K N 1.604 121.997 120.400 -0.012 0.000 2.147 311 K HA -0.169 4.150 4.320 -0.000 0.000 0.205 311 K C 1.805 178.387 176.600 -0.030 0.000 1.049 311 K CA 1.747 58.023 56.287 -0.017 0.000 0.936 311 K CB 0.099 32.592 32.500 -0.011 0.000 0.722 311 K HN 0.651 nan 8.250 nan 0.000 0.446 312 S N 0.645 116.325 115.700 -0.033 0.000 2.383 312 S HA -0.133 4.337 4.470 -0.000 0.000 0.227 312 S C 1.345 175.908 174.600 -0.062 0.000 1.026 312 S CA 1.327 59.502 58.200 -0.042 0.000 0.981 312 S CB -0.198 62.979 63.200 -0.038 0.000 0.818 312 S HN 0.279 nan 8.310 nan 0.000 0.472 313 D N 1.047 121.404 120.400 -0.072 0.000 2.234 313 D HA 0.100 4.739 4.640 -0.000 0.000 0.205 313 D C 1.905 178.113 176.300 -0.154 0.000 0.962 313 D CA 0.694 54.625 54.000 -0.114 0.000 0.855 313 D CB -0.230 40.501 40.800 -0.114 0.000 0.951 313 D HN 0.316 nan 8.370 nan 0.000 0.500 314 M N 0.507 120.040 119.600 -0.113 0.000 2.175 314 M HA -0.056 4.424 4.480 -0.000 0.000 0.264 314 M C 1.780 178.024 176.300 -0.093 0.000 1.063 314 M CA 1.115 56.349 55.300 -0.110 0.000 1.119 314 M CB -0.609 31.961 32.600 -0.049 0.000 1.377 314 M HN 0.066 nan 8.290 nan 0.000 0.415 315 E N -0.134 120.023 120.200 -0.071 0.000 2.208 315 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 315 E C 1.955 178.514 176.600 -0.069 0.000 0.988 315 E CA 0.720 57.086 56.400 -0.057 0.000 0.828 315 E CB 0.085 29.759 29.700 -0.043 0.000 0.763 315 E HN 0.503 nan 8.360 nan 0.000 0.478 316 K N 0.487 120.833 120.400 -0.091 0.000 2.062 316 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 316 K C 2.106 178.636 176.600 -0.116 0.000 1.051 316 K CA 0.739 56.967 56.287 -0.098 0.000 0.941 316 K CB -0.004 32.429 32.500 -0.111 0.000 0.719 316 K HN 0.079 nan 8.250 nan 0.000 0.440 317 L N 0.569 121.693 121.223 -0.165 0.000 2.141 317 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 317 L C 2.457 179.264 176.870 -0.106 0.000 1.094 317 L CA 0.843 55.570 54.840 -0.189 0.000 0.763 317 L CB -0.381 41.468 42.059 -0.349 0.000 0.908 317 L HN 0.189 nan 8.230 nan 0.000 0.437 318 A N -0.202 122.570 122.820 -0.080 0.000 1.968 318 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 318 A C 2.283 179.848 177.584 -0.032 0.000 1.169 318 A CA 1.294 53.305 52.037 -0.043 0.000 0.638 318 A CB -0.141 18.839 19.000 -0.033 0.000 0.812 318 A HN 0.314 nan 8.150 nan 0.000 0.446 319 K N -0.764 119.612 120.400 -0.040 0.000 2.284 319 K HA 0.248 4.568 4.320 -0.000 0.000 0.198 319 K C 2.182 178.764 176.600 -0.029 0.000 1.048 319 K CA 0.678 56.947 56.287 -0.030 0.000 0.987 319 K CB -0.010 32.471 32.500 -0.032 0.000 0.800 319 K HN 0.381 nan 8.250 nan 0.000 0.486 320 A N 1.446 124.242 122.820 -0.040 0.000 1.855 320 A HA -0.110 4.210 4.320 -0.000 0.000 0.213 320 A C 2.272 179.844 177.584 -0.019 0.000 1.195 320 A CA 1.936 53.952 52.037 -0.036 0.000 0.610 320 A CB -0.871 18.099 19.000 -0.051 0.000 0.837 320 A HN 0.364 nan 8.150 nan 0.000 0.444 321 T N -3.994 110.549 114.554 -0.018 0.000 3.043 321 T HA 0.374 4.724 4.350 -0.000 0.000 0.263 321 T C 1.238 175.944 174.700 0.009 0.000 1.094 321 T CA 1.159 63.260 62.100 0.002 0.000 1.127 321 T CB -0.150 68.724 68.868 0.011 0.000 0.905 321 T HN 1.838 nan 8.240 nan 0.000 0.490 322 G N 0.985 109.786 108.800 0.002 0.000 2.467 322 G HA2 0.255 4.215 3.960 -0.000 0.000 0.242 322 G HA3 0.255 4.215 3.960 -0.000 0.000 0.242 322 G C -0.030 174.875 174.900 0.009 0.000 1.127 322 G CA -0.251 44.853 45.100 0.007 0.000 0.924 322 G HN 1.051 nan 8.290 nan 0.000 0.499 323 A N -0.162 122.661 122.820 0.004 0.000 2.309 323 A HA 0.932 5.251 4.320 -0.000 0.000 0.317 323 A C -0.037 177.550 177.584 0.006 0.000 1.134 323 A CA -0.822 51.221 52.037 0.010 0.000 0.866 323 A CB 1.118 20.128 19.000 0.016 0.000 1.329 323 A HN 0.375 nan 8.150 nan 0.000 0.477 324 N N -0.696 118.010 118.700 0.011 0.000 2.272 324 N HA 0.486 5.225 4.740 -0.000 0.000 0.305 324 N C -1.126 174.391 175.510 0.011 0.000 1.103 324 N CA -0.417 52.638 53.050 0.008 0.000 0.791 324 N CB 1.851 40.344 38.487 0.010 0.000 1.356 324 N HN 0.298 nan 8.380 nan 0.000 0.486 325 V N 2.325 122.243 119.914 0.007 0.000 2.488 325 V HA 0.335 4.454 4.120 -0.000 0.000 0.277 325 V C 0.036 176.138 176.094 0.013 0.000 1.046 325 V CA -0.204 62.101 62.300 0.009 0.000 0.986 325 V CB 0.289 32.113 31.823 0.002 0.000 0.989 325 V HN 0.431 nan 8.190 nan 0.000 0.475 326 I N 4.475 125.057 120.570 0.019 0.000 2.478 326 I HA 0.416 4.585 4.170 -0.000 0.000 0.287 326 I C -0.010 176.118 176.117 0.020 0.000 1.042 326 I CA -0.267 61.045 61.300 0.019 0.000 1.067 326 I CB 1.964 39.978 38.000 0.023 0.000 1.233 326 I HN 0.613 nan 8.210 nan 0.000 0.431 327 T N 3.647 118.211 114.554 0.016 0.000 3.226 327 T HA 0.374 4.724 4.350 -0.000 0.000 0.378 327 T C 0.039 174.747 174.700 0.013 0.000 1.380 327 T CA -0.522 61.587 62.100 0.015 0.000 1.396 327 T CB -0.196 68.680 68.868 0.013 0.000 1.044 327 T HN 0.602 nan 8.240 nan 0.000 0.586 328 N N 1.422 120.131 118.700 0.014 0.000 3.902 328 N HA -0.067 4.673 4.740 -0.000 0.000 0.106 328 N C 0.571 176.088 175.510 0.012 0.000 0.830 328 N CA -0.046 53.011 53.050 0.012 0.000 3.172 328 N CB -1.247 37.245 38.487 0.010 0.000 1.273 328 N HN 0.517 nan 8.380 nan 0.000 0.808 329 I N 0.523 121.101 120.570 0.014 0.000 2.499 329 I HA -0.469 3.701 4.170 -0.000 0.000 0.248 329 I C 1.598 177.721 176.117 0.010 0.000 0.945 329 I CA 1.678 62.986 61.300 0.014 0.000 1.309 329 I CB 0.117 38.126 38.000 0.015 0.000 0.994 329 I HN 0.365 nan 8.210 nan 0.000 0.434 330 K N -0.278 120.126 120.400 0.008 0.000 2.442 330 K HA -0.198 4.122 4.320 -0.000 0.000 0.199 330 K C 1.083 177.686 176.600 0.005 0.000 1.044 330 K CA 1.273 57.563 56.287 0.005 0.000 0.941 330 K CB -0.414 32.089 32.500 0.004 0.000 0.759 330 K HN 0.496 nan 8.250 nan 0.000 0.472 331 D N 0.162 120.566 120.400 0.007 0.000 2.501 331 D HA 0.016 4.656 4.640 -0.000 0.000 0.224 331 D C -0.548 175.756 176.300 0.007 0.000 1.202 331 D CA -0.367 53.637 54.000 0.006 0.000 0.829 331 D CB 0.155 40.959 40.800 0.007 0.000 1.023 331 D HN -0.095 nan 8.370 nan 0.000 0.499 332 L N 1.261 122.489 121.223 0.008 0.000 2.559 332 L HA 0.174 4.513 4.340 -0.000 0.000 0.274 332 L C 0.142 177.018 176.870 0.009 0.000 1.205 332 L CA 0.397 55.243 54.840 0.011 0.000 0.907 332 L CB 0.717 42.783 42.059 0.012 0.000 1.153 332 L HN -0.119 nan 8.230 nan 0.000 0.490 333 S N 2.987 118.694 115.700 0.011 0.000 2.607 333 S HA 0.769 5.239 4.470 -0.000 0.000 0.303 333 S C 0.792 175.399 174.600 0.012 0.000 1.086 333 S CA -0.172 58.035 58.200 0.010 0.000 0.995 333 S CB 1.703 64.909 63.200 0.010 0.000 1.084 333 S HN 0.815 nan 8.310 nan 0.000 0.507 334 A N 2.036 124.863 122.820 0.011 0.000 2.081 334 A HA 0.171 4.490 4.320 -0.000 0.000 0.214 334 A C 1.542 179.134 177.584 0.014 0.000 1.158 334 A CA 0.660 52.705 52.037 0.012 0.000 0.724 334 A CB -0.393 18.613 19.000 0.010 0.000 0.826 334 A HN 0.737 nan 8.150 nan 0.000 0.463 335 Q N 0.156 119.963 119.800 0.012 0.000 2.320 335 Q HA 0.077 4.417 4.340 -0.000 0.000 0.201 335 Q C 0.097 176.104 176.000 0.013 0.000 0.910 335 Q CA 0.554 56.364 55.803 0.012 0.000 0.946 335 Q CB 0.371 29.115 28.738 0.009 0.000 1.062 335 Q HN 0.509 nan 8.270 nan 0.000 0.503 336 D N -0.919 119.491 120.400 0.015 0.000 2.407 336 D HA 0.100 4.740 4.640 -0.000 0.000 0.208 336 D C -0.185 176.129 176.300 0.022 0.000 1.083 336 D CA 0.102 54.112 54.000 0.017 0.000 0.844 336 D CB 0.587 41.397 40.800 0.017 0.000 0.967 336 D HN 0.221 nan 8.370 nan 0.000 0.506 337 L N 0.945 122.182 121.223 0.024 0.000 2.349 337 L HA 0.441 4.781 4.340 -0.000 0.000 0.275 337 L C 1.276 178.164 176.870 0.031 0.000 1.115 337 L CA -0.668 54.191 54.840 0.032 0.000 0.820 337 L CB 1.017 43.095 42.059 0.031 0.000 1.135 337 L HN -0.141 nan 8.230 nan 0.000 0.445 338 G N 0.852 109.675 108.800 0.037 0.000 2.537 338 G HA2 0.309 4.269 3.960 -0.000 0.000 0.273 338 G HA3 0.309 4.269 3.960 -0.000 0.000 0.273 338 G C -1.288 173.634 174.900 0.038 0.000 1.189 338 G CA -0.195 44.925 45.100 0.033 0.000 0.881 338 G HN 0.664 nan 8.290 nan 0.000 0.535 339 D N -0.681 119.739 120.400 0.033 0.000 2.481 339 D HA 0.582 5.222 4.640 -0.000 0.000 0.246 339 D C -0.028 176.295 176.300 0.037 0.000 1.109 339 D CA -0.165 53.856 54.000 0.036 0.000 0.845 339 D CB 1.424 42.242 40.800 0.030 0.000 1.160 339 D HN 0.544 nan 8.370 nan 0.000 0.534 340 A N 2.076 124.924 122.820 0.046 0.000 2.322 340 A HA 0.703 5.022 4.320 -0.000 0.000 0.327 340 A C 1.118 178.730 177.584 0.047 0.000 1.134 340 A CA -0.205 51.861 52.037 0.048 0.000 0.831 340 A CB 1.498 20.537 19.000 0.064 0.000 1.288 340 A HN 0.607 nan 8.150 nan 0.000 0.472 341 G N -0.630 108.198 108.800 0.047 0.000 2.447 341 G HA2 0.362 4.322 3.960 -0.000 0.000 0.211 341 G HA3 0.362 4.322 3.960 -0.000 0.000 0.211 341 G C 0.197 175.125 174.900 0.047 0.000 1.184 341 G CA 0.509 45.634 45.100 0.043 0.000 0.813 341 G HN 0.608 nan 8.290 nan 0.000 0.540 342 L N 0.961 122.220 121.223 0.060 0.000 2.439 342 L HA 0.563 4.903 4.340 -0.000 0.000 0.270 342 L C -1.462 175.464 176.870 0.095 0.000 0.972 342 L CA -0.695 54.184 54.840 0.065 0.000 0.836 342 L CB 2.661 44.754 42.059 0.057 0.000 1.255 342 L HN -0.099 nan 8.230 nan 0.000 0.404 343 V N 4.032 123.999 119.914 0.088 0.000 2.378 343 V HA 0.524 4.644 4.120 -0.000 0.000 0.288 343 V C -0.462 175.689 176.094 0.095 0.000 1.016 343 V CA -0.468 61.901 62.300 0.116 0.000 0.840 343 V CB 1.544 33.432 31.823 0.108 0.000 0.994 343 V HN 0.731 nan 8.190 nan 0.000 0.431 344 E N 2.999 123.280 120.200 0.134 0.000 2.304 344 E HA 0.304 4.654 4.350 -0.000 0.000 0.277 344 E C -0.881 175.795 176.600 0.127 0.000 0.898 344 E CA -0.576 55.871 56.400 0.079 0.000 0.764 344 E CB 2.027 31.727 29.700 0.000 0.000 1.216 344 E HN 0.745 nan 8.360 nan 0.000 0.419 345 E N 4.840 125.086 120.200 0.077 0.000 1.856 345 E HA 0.122 4.472 4.350 -0.000 0.000 0.263 345 E C -0.630 176.001 176.600 0.051 0.000 1.137 345 E CA -0.202 56.257 56.400 0.098 0.000 1.007 345 E CB 0.276 30.011 29.700 0.058 0.000 1.117 345 E HN 0.277 nan 8.360 nan 0.000 0.438 346 R N 2.297 122.823 120.500 0.044 0.000 2.441 346 R HA 0.189 4.528 4.340 -0.000 0.000 0.284 346 R C 0.218 176.545 176.300 0.044 0.000 1.070 346 R CA -0.222 55.824 56.100 -0.090 0.000 1.047 346 R CB 0.899 30.894 30.300 -0.509 0.000 1.016 346 R HN 0.203 nan 8.270 nan 0.000 0.477 347 K N 2.547 122.952 120.400 0.007 0.000 3.001 347 K HA 0.123 4.443 4.320 -0.000 0.000 0.257 347 K C -0.210 176.418 176.600 0.047 0.000 1.290 347 K CA -0.223 56.088 56.287 0.040 0.000 1.252 347 K CB -0.074 32.436 32.500 0.017 0.000 1.656 347 K HN 0.310 nan 8.250 nan 0.000 0.351 348 I N 1.019 121.651 120.570 0.103 0.000 2.496 348 I HA -0.112 4.058 4.170 -0.000 0.000 0.285 348 I C 0.913 177.092 176.117 0.104 0.000 1.080 348 I CA 0.951 62.321 61.300 0.117 0.000 1.404 348 I CB 0.993 39.147 38.000 0.256 0.000 1.403 348 I HN 0.471 nan 8.210 nan 0.000 0.539 349 S N 4.664 120.405 115.700 0.068 0.000 3.533 349 S HA -0.208 4.262 4.470 -0.000 0.000 0.347 349 S C 1.141 175.766 174.600 0.042 0.000 1.101 349 S CA 1.588 59.818 58.200 0.050 0.000 1.009 349 S CB -1.601 61.630 63.200 0.053 0.000 0.916 349 S HN 1.960 nan 8.310 nan 0.000 0.496 350 G N 0.164 108.988 108.800 0.039 0.000 2.579 350 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.222 350 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.222 350 G C -0.322 174.601 174.900 0.038 0.000 1.201 350 G CA 0.266 45.385 45.100 0.031 0.000 0.710 350 G HN 0.731 nan 8.290 nan 0.000 0.516 351 D N 2.152 122.580 120.400 0.047 0.000 2.383 351 D HA 0.454 5.094 4.640 -0.000 0.000 0.252 351 D C 0.809 177.154 176.300 0.074 0.000 1.166 351 D CA 0.849 54.880 54.000 0.051 0.000 0.879 351 D CB 1.318 42.145 40.800 0.045 0.000 1.164 351 D HN 0.620 nan 8.370 nan 0.000 0.462 352 S N 2.490 118.230 115.700 0.066 0.000 2.411 352 S HA 0.467 4.937 4.470 -0.000 0.000 0.304 352 S C 0.149 174.808 174.600 0.099 0.000 1.098 352 S CA -0.753 57.496 58.200 0.082 0.000 1.068 352 S CB 0.380 63.612 63.200 0.054 0.000 1.032 352 S HN 0.328 nan 8.310 nan 0.000 0.511 353 M N 2.707 122.400 119.600 0.155 0.000 2.662 353 M HA 0.516 4.996 4.480 -0.000 0.000 0.310 353 M C -0.648 175.781 176.300 0.214 0.000 1.204 353 M CA -0.831 54.552 55.300 0.138 0.000 0.891 353 M CB 1.932 34.573 32.600 0.068 0.000 1.732 353 M HN 0.497 nan 8.290 nan 0.000 0.467 354 I N 1.778 122.445 120.570 0.162 0.000 2.363 354 I HA 0.126 4.296 4.170 -0.000 0.000 0.292 354 I C -0.916 175.311 176.117 0.183 0.000 1.075 354 I CA 0.045 61.473 61.300 0.213 0.000 1.333 354 I CB -0.039 38.116 38.000 0.258 0.000 1.415 354 I HN 0.411 nan 8.210 nan 0.000 0.502 355 F N 6.572 126.564 119.950 0.070 0.000 2.462 355 F HA 0.192 4.718 4.527 -0.000 0.000 0.354 355 F C 0.301 176.138 175.800 0.063 0.000 1.192 355 F CA -0.291 57.740 58.000 0.052 0.000 1.173 355 F CB 0.500 39.520 39.000 0.034 0.000 1.402 355 F HN 0.126 nan 8.300 nan 0.000 0.595 356 V N 4.812 124.801 119.914 0.125 0.000 2.322 356 V HA 0.230 4.350 4.120 -0.000 0.000 0.258 356 V C 0.003 176.138 176.094 0.068 0.000 1.074 356 V CA -0.370 61.995 62.300 0.108 0.000 0.909 356 V CB -0.176 31.689 31.823 0.071 0.000 1.090 356 V HN 0.712 nan 8.190 nan 0.000 0.486 357 E N 2.760 123.022 120.200 0.103 0.000 2.423 357 E HA 0.668 5.018 4.350 -0.000 0.000 0.269 357 E C -0.720 175.921 176.600 0.068 0.000 0.948 357 E CA -1.074 55.378 56.400 0.087 0.000 0.802 357 E CB 1.735 31.524 29.700 0.148 0.000 1.339 357 E HN 0.330 nan 8.360 nan 0.000 0.445 358 E N -0.439 119.793 120.200 0.053 0.000 2.267 358 E HA -0.131 4.218 4.350 -0.000 0.000 0.229 358 E C -0.967 175.655 176.600 0.036 0.000 1.193 358 E CA 0.062 56.488 56.400 0.044 0.000 0.695 358 E CB -1.684 28.045 29.700 0.048 0.000 1.219 358 E HN 0.527 nan 8.360 nan 0.000 0.391 359 C N 0.810 120.127 119.300 0.027 0.000 2.580 359 C HA 0.213 4.673 4.460 -0.000 0.000 0.371 359 C C 1.916 176.924 174.990 0.031 0.000 1.308 359 C CA -0.697 58.337 59.018 0.026 0.000 2.428 359 C CB 0.969 28.717 27.740 0.013 0.000 2.529 359 C HN 0.446 nan 8.230 nan 0.000 0.657 360 K N 0.412 120.839 120.400 0.046 0.000 2.102 360 K HA 0.045 4.365 4.320 -0.000 0.000 0.208 360 K C 0.450 177.111 176.600 0.101 0.000 1.027 360 K CA 1.192 57.519 56.287 0.066 0.000 0.958 360 K CB -0.394 32.147 32.500 0.069 0.000 0.819 360 K HN 0.744 nan 8.250 nan 0.000 0.453 361 H N 2.126 121.200 119.070 0.006 0.000 2.645 361 H HA 0.262 4.818 4.556 -0.000 0.000 0.257 361 H C -2.541 172.788 175.328 0.002 0.000 1.269 361 H CA -2.034 54.016 56.048 0.004 0.000 1.409 361 H CB 0.445 30.209 29.762 0.003 0.000 1.434 361 H HN -0.041 nan 8.280 nan 0.000 0.505 362 P HA 0.237 nan 4.420 nan 0.000 0.293 362 P C 0.213 177.400 177.300 -0.188 0.000 1.300 362 P CA -0.767 62.255 63.100 -0.129 0.000 0.792 362 P CB 1.755 33.405 31.700 -0.084 0.000 0.925 363 K N 0.776 121.114 120.400 -0.103 0.000 2.379 363 K HA 0.318 4.638 4.320 -0.000 0.000 0.194 363 K C 0.497 177.064 176.600 -0.055 0.000 1.031 363 K CA 0.182 56.423 56.287 -0.078 0.000 1.037 363 K CB 0.537 33.024 32.500 -0.022 0.000 0.824 363 K HN 0.560 nan 8.250 nan 0.000 0.516 364 A N 1.007 123.796 122.820 -0.051 0.000 2.356 364 A HA 0.604 4.924 4.320 -0.000 0.000 0.310 364 A C -0.852 176.704 177.584 -0.047 0.000 1.075 364 A CA -0.570 51.441 52.037 -0.043 0.000 0.746 364 A CB 1.631 20.610 19.000 -0.035 0.000 1.221 364 A HN -0.093 nan 8.150 nan 0.000 0.443 365 V N 1.779 121.666 119.914 -0.045 0.000 2.656 365 V HA 0.583 4.702 4.120 -0.000 0.000 0.307 365 V C -0.031 176.038 176.094 -0.041 0.000 1.051 365 V CA -0.410 61.864 62.300 -0.043 0.000 0.893 365 V CB 2.252 34.049 31.823 -0.042 0.000 0.999 365 V HN 0.940 nan 8.190 nan 0.000 0.426 366 T N 6.050 120.577 114.554 -0.044 0.000 2.795 366 T HA 0.537 4.887 4.350 -0.000 0.000 0.282 366 T C -0.289 174.385 174.700 -0.045 0.000 0.980 366 T CA -0.473 61.597 62.100 -0.049 0.000 1.012 366 T CB 0.969 69.799 68.868 -0.063 0.000 0.936 366 T HN 0.342 nan 8.240 nan 0.000 0.457 367 M N 3.753 123.328 119.600 -0.041 0.000 2.044 367 M HA 0.310 4.790 4.480 -0.000 0.000 0.333 367 M C -0.587 175.689 176.300 -0.041 0.000 1.004 367 M CA -1.038 54.240 55.300 -0.035 0.000 0.954 367 M CB 0.888 33.472 32.600 -0.027 0.000 1.468 367 M HN 0.400 nan 8.290 nan 0.000 0.414 368 L N 5.989 127.184 121.223 -0.047 0.000 2.395 368 L HA 0.331 4.670 4.340 -0.000 0.000 0.268 368 L C -0.348 176.501 176.870 -0.034 0.000 1.223 368 L CA 0.328 55.136 54.840 -0.054 0.000 1.093 368 L CB -0.578 41.433 42.059 -0.079 0.000 1.349 368 L HN 0.511 nan 8.230 nan 0.000 0.427 369 I N 4.538 125.090 120.570 -0.029 0.000 2.436 369 I HA 0.167 4.337 4.170 -0.000 0.000 0.289 369 I C 0.442 176.548 176.117 -0.018 0.000 1.083 369 I CA 0.255 61.544 61.300 -0.019 0.000 1.372 369 I CB -0.000 37.989 38.000 -0.017 0.000 1.408 369 I HN 0.497 nan 8.210 nan 0.000 0.516 370 R N 4.403 124.897 120.500 -0.010 0.000 2.807 370 R HA 0.874 5.214 4.340 -0.000 0.000 0.276 370 R C -0.254 176.047 176.300 0.001 0.000 0.979 370 R CA -0.974 55.122 56.100 -0.006 0.000 0.928 370 R CB 2.350 32.648 30.300 -0.003 0.000 1.191 370 R HN 0.747 nan 8.270 nan 0.000 0.471 371 G N -0.773 108.029 108.800 0.003 0.000 2.550 371 G HA2 0.229 4.189 3.960 -0.000 0.000 0.293 371 G HA3 0.229 4.189 3.960 -0.000 0.000 0.293 371 G C 0.470 175.376 174.900 0.010 0.000 1.402 371 G CA -0.196 44.909 45.100 0.008 0.000 0.784 371 G HN 0.515 nan 8.290 nan 0.000 0.482 372 T N -1.932 112.631 114.554 0.015 0.000 2.639 372 T HA 0.094 4.444 4.350 -0.000 0.000 0.261 372 T C 1.422 176.133 174.700 0.018 0.000 1.053 372 T CA 2.148 64.258 62.100 0.017 0.000 1.158 372 T CB -0.840 68.039 68.868 0.019 0.000 0.863 372 T HN 1.247 nan 8.240 nan 0.000 0.413 373 T N -0.875 113.695 114.554 0.027 0.000 2.925 373 T HA 0.558 4.908 4.350 -0.000 0.000 0.285 373 T C 0.675 175.388 174.700 0.021 0.000 1.021 373 T CA -0.683 61.438 62.100 0.035 0.000 1.042 373 T CB 2.211 71.120 68.868 0.068 0.000 1.037 373 T HN 0.107 nan 8.240 nan 0.000 0.481 374 E N 0.128 120.319 120.200 -0.015 0.000 2.153 374 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 374 E C 1.533 178.066 176.600 -0.111 0.000 0.988 374 E CA 1.542 57.892 56.400 -0.083 0.000 0.811 374 E CB -0.454 29.159 29.700 -0.144 0.000 0.746 374 E HN 0.880 nan 8.360 nan 0.000 0.466 375 H N -1.663 117.408 119.070 0.000 0.000 2.462 375 H HA 0.008 4.563 4.556 -0.000 0.000 0.292 375 H C 1.864 177.192 175.328 0.001 0.000 1.049 375 H CA 1.140 57.188 56.048 0.001 0.000 1.334 375 H CB 0.354 30.117 29.762 0.001 0.000 1.404 375 H HN 0.024 nan 8.280 nan 0.000 0.544 376 V N 0.409 120.387 119.914 0.108 0.000 2.379 376 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 376 V C 2.169 178.283 176.094 0.033 0.000 1.044 376 V CA 1.532 63.868 62.300 0.060 0.000 1.036 376 V CB -0.323 31.527 31.823 0.044 0.000 0.664 376 V HN 0.383 nan 8.190 nan 0.000 0.453 377 I N 0.107 120.687 120.570 0.015 0.000 2.163 377 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 377 I C 2.562 178.677 176.117 -0.004 0.000 1.085 377 I CA 2.066 63.365 61.300 -0.002 0.000 1.347 377 I CB -0.425 37.565 38.000 -0.017 0.000 1.044 377 I HN 0.383 nan 8.210 nan 0.000 0.408 378 E N 0.697 120.893 120.200 -0.007 0.000 2.153 378 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 378 E C 2.017 178.625 176.600 0.013 0.000 0.988 378 E CA 1.296 57.693 56.400 -0.005 0.000 0.811 378 E CB 0.127 29.819 29.700 -0.013 0.000 0.746 378 E HN 0.372 nan 8.360 nan 0.000 0.466 379 E N -0.373 119.843 120.200 0.027 0.000 2.107 379 E HA -0.103 4.246 4.350 -0.000 0.000 0.191 379 E C 1.835 178.445 176.600 0.017 0.000 0.982 379 E CA 0.909 57.325 56.400 0.027 0.000 0.809 379 E CB 0.165 29.886 29.700 0.036 0.000 0.756 379 E HN 0.103 nan 8.360 nan 0.000 0.459 380 V N 0.621 120.543 119.914 0.013 0.000 2.809 380 V HA -0.098 4.022 4.120 -0.000 0.000 0.256 380 V C 2.172 178.268 176.094 0.002 0.000 1.080 380 V CA 1.375 63.679 62.300 0.008 0.000 1.102 380 V CB -0.545 31.282 31.823 0.007 0.000 0.705 380 V HN 0.395 nan 8.190 nan 0.000 0.475 381 A N 0.190 123.010 122.820 -0.000 0.000 1.897 381 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 381 A C 2.398 179.981 177.584 -0.002 0.000 1.181 381 A CA 1.162 53.196 52.037 -0.005 0.000 0.620 381 A CB -0.351 18.643 19.000 -0.010 0.000 0.821 381 A HN 0.448 nan 8.150 nan 0.000 0.443 382 R N -0.633 119.868 120.500 0.002 0.000 2.193 382 R HA 0.079 4.419 4.340 -0.000 0.000 0.213 382 R C 2.266 178.569 176.300 0.005 0.000 1.055 382 R CA 0.812 56.914 56.100 0.004 0.000 0.995 382 R CB -0.244 30.061 30.300 0.008 0.000 0.893 382 R HN 0.503 nan 8.270 nan 0.000 0.459 383 A N 0.526 123.350 122.820 0.006 0.000 1.968 383 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 383 A C 2.175 179.761 177.584 0.004 0.000 1.169 383 A CA 0.927 52.968 52.037 0.007 0.000 0.638 383 A CB -0.137 18.868 19.000 0.009 0.000 0.812 383 A HN 0.086 nan 8.150 nan 0.000 0.446 384 V N 0.442 120.357 119.914 0.001 0.000 2.548 384 V HA -0.182 3.937 4.120 -0.000 0.000 0.249 384 V C 2.019 178.111 176.094 -0.003 0.000 1.055 384 V CA 1.908 64.207 62.300 -0.002 0.000 1.065 384 V CB -0.698 31.122 31.823 -0.005 0.000 0.681 384 V HN 0.478 nan 8.190 nan 0.000 0.462 385 D N 0.589 120.988 120.400 -0.002 0.000 2.133 385 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 385 D C 1.779 178.079 176.300 -0.001 0.000 0.997 385 D CA 1.787 55.786 54.000 -0.003 0.000 0.840 385 D CB -0.152 40.647 40.800 -0.002 0.000 0.947 385 D HN 0.481 nan 8.370 nan 0.000 0.452 386 D N 0.022 120.423 120.400 0.002 0.000 2.194 386 D HA -0.001 4.639 4.640 -0.000 0.000 0.204 386 D C 1.941 178.243 176.300 0.003 0.000 0.964 386 D CA 0.961 54.963 54.000 0.003 0.000 0.846 386 D CB -0.138 40.665 40.800 0.006 0.000 0.962 386 D HN 0.126 nan 8.370 nan 0.000 0.490 387 A N 0.195 123.016 122.820 0.002 0.000 1.968 387 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 387 A C 2.266 179.849 177.584 -0.001 0.000 1.169 387 A CA 0.701 52.739 52.037 0.001 0.000 0.638 387 A CB -0.464 18.537 19.000 0.001 0.000 0.812 387 A HN 0.133 nan 8.150 nan 0.000 0.446 388 V N -0.210 119.702 119.914 -0.003 0.000 2.379 388 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 388 V C 2.789 178.881 176.094 -0.004 0.000 1.044 388 V CA 1.788 64.085 62.300 -0.005 0.000 1.036 388 V CB -1.233 30.586 31.823 -0.008 0.000 0.664 388 V HN 0.583 nan 8.190 nan 0.000 0.453 389 G N 0.734 109.532 108.800 -0.002 0.000 2.433 389 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.216 389 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.216 389 G C 1.750 176.650 174.900 0.000 0.000 1.186 389 G CA 1.621 46.721 45.100 -0.001 0.000 0.779 389 G HN 0.538 nan 8.290 nan 0.000 0.543 390 V N -0.806 119.109 119.914 0.001 0.000 2.343 390 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 390 V C 2.730 178.825 176.094 0.002 0.000 1.051 390 V CA 1.742 64.044 62.300 0.002 0.000 1.036 390 V CB -0.933 30.892 31.823 0.004 0.000 0.654 390 V HN 0.154 nan 8.190 nan 0.000 0.451 391 V N 1.843 121.757 119.914 0.000 0.000 2.427 391 V HA -0.019 4.101 4.120 -0.000 0.000 0.248 391 V C 2.909 179.003 176.094 -0.001 0.000 1.051 391 V CA 2.054 64.354 62.300 -0.001 0.000 1.048 391 V CB -1.453 30.369 31.823 -0.002 0.000 0.666 391 V HN 0.628 nan 8.190 nan 0.000 0.456 392 G N -1.335 107.463 108.800 -0.002 0.000 2.422 392 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 392 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 392 G C 1.653 176.553 174.900 -0.001 0.000 1.140 392 G CA 1.252 46.351 45.100 -0.003 0.000 0.775 392 G HN 0.538 nan 8.290 nan 0.000 0.545 393 C N 0.544 119.844 119.300 0.000 0.000 2.467 393 C HA 0.060 4.520 4.460 -0.000 0.000 0.279 393 C C 3.180 178.171 174.990 0.002 0.000 1.347 393 C CA 1.377 60.396 59.018 0.001 0.000 1.748 393 C CB -0.739 27.002 27.740 0.002 0.000 1.977 393 C HN 0.434 nan 8.230 nan 0.000 0.501 394 T N 1.380 115.935 114.554 0.002 0.000 2.821 394 T HA -0.033 4.317 4.350 -0.000 0.000 0.267 394 T C 1.603 176.305 174.700 0.002 0.000 1.046 394 T CA 1.186 63.287 62.100 0.002 0.000 1.139 394 T CB -0.203 68.667 68.868 0.002 0.000 0.871 394 T HN 0.477 nan 8.240 nan 0.000 0.454 395 I N 0.889 121.460 120.570 0.002 0.000 2.252 395 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 395 I C 2.636 178.755 176.117 0.002 0.000 1.102 395 I CA 1.271 62.572 61.300 0.002 0.000 1.385 395 I CB -0.303 37.697 38.000 0.001 0.000 1.064 395 I HN 0.265 nan 8.210 nan 0.000 0.414 396 E N 0.531 120.732 120.200 0.002 0.000 2.107 396 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 396 E C 1.369 177.971 176.600 0.002 0.000 0.982 396 E CA 1.077 57.479 56.400 0.002 0.000 0.809 396 E CB 0.115 29.816 29.700 0.002 0.000 0.756 396 E HN 0.507 nan 8.360 nan 0.000 0.459 397 D N -0.793 119.609 120.400 0.002 0.000 2.527 397 D HA 0.064 4.703 4.640 -0.000 0.000 0.249 397 D C 0.702 177.004 176.300 0.002 0.000 1.029 397 D CA 1.087 55.088 54.000 0.002 0.000 0.951 397 D CB 0.097 40.898 40.800 0.002 0.000 1.093 397 D HN 0.178 nan 8.370 nan 0.000 0.464 398 G N 1.412 110.214 108.800 0.003 0.000 2.905 398 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.245 398 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.245 398 G C -0.294 174.608 174.900 0.002 0.000 1.004 398 G CA -0.037 45.065 45.100 0.003 0.000 1.089 398 G HN 0.292 nan 8.290 nan 0.000 0.456 399 R N -0.067 120.434 120.500 0.003 0.000 3.231 399 R HA 0.530 4.870 4.340 -0.000 0.000 0.279 399 R C -0.375 175.928 176.300 0.005 0.000 0.990 399 R CA -0.411 55.691 56.100 0.004 0.000 0.879 399 R CB 0.991 31.292 30.300 0.003 0.000 1.289 399 R HN 1.176 nan 8.270 nan 0.000 0.529 400 I N -1.314 119.260 120.570 0.006 0.000 2.865 400 I HA 0.847 5.017 4.170 -0.000 0.000 0.302 400 I C -0.673 175.449 176.117 0.009 0.000 1.140 400 I CA -1.090 60.214 61.300 0.007 0.000 1.021 400 I CB 2.336 40.341 38.000 0.007 0.000 1.233 400 I HN 0.346 nan 8.210 nan 0.000 0.427 401 V N 0.355 120.275 119.914 0.011 0.000 3.001 401 V HA 0.719 4.839 4.120 -0.000 0.000 0.314 401 V C 0.231 176.336 176.094 0.018 0.000 1.099 401 V CA -0.674 61.635 62.300 0.015 0.000 0.989 401 V CB 1.328 33.159 31.823 0.014 0.000 1.040 401 V HN 0.975 nan 8.190 nan 0.000 0.434 402 S N 1.672 117.387 115.700 0.025 0.000 2.531 402 S HA 0.620 5.090 4.470 -0.000 0.000 0.279 402 S C 0.492 175.109 174.600 0.028 0.000 1.305 402 S CA 0.126 58.343 58.200 0.029 0.000 1.058 402 S CB 0.627 63.850 63.200 0.038 0.000 0.899 402 S HN 1.681 nan 8.310 nan 0.000 0.493 403 G N 0.718 109.534 108.800 0.027 0.000 2.532 403 G HA2 0.568 4.527 3.960 -0.000 0.000 0.291 403 G HA3 0.568 4.527 3.960 -0.000 0.000 0.291 403 G C 0.856 175.772 174.900 0.026 0.000 1.349 403 G CA -0.654 44.460 45.100 0.023 0.000 1.038 403 G HN 1.995 nan 8.290 nan 0.000 0.518 404 G N -2.095 106.718 108.800 0.020 0.000 2.198 404 G HA2 0.277 4.237 3.960 -0.000 0.000 0.257 404 G HA3 0.277 4.237 3.960 -0.000 0.000 0.257 404 G C 1.265 176.170 174.900 0.008 0.000 1.042 404 G CA 0.969 46.079 45.100 0.016 0.000 0.791 404 G HN 2.512 nan 8.290 nan 0.000 0.502 405 G N -1.496 107.305 108.800 0.001 0.000 2.246 405 G HA2 0.010 3.970 3.960 -0.000 0.000 0.273 405 G HA3 0.010 3.970 3.960 -0.000 0.000 0.273 405 G C 1.055 175.954 174.900 -0.002 0.000 1.055 405 G CA 1.497 46.591 45.100 -0.011 0.000 0.851 405 G HN 1.919 nan 8.290 nan 0.000 0.500 406 S N -1.073 114.641 115.700 0.023 0.000 2.444 406 S HA 0.010 4.480 4.470 -0.000 0.000 0.223 406 S C 2.630 177.265 174.600 0.059 0.000 1.054 406 S CA 1.963 60.207 58.200 0.073 0.000 0.947 406 S CB -0.160 63.095 63.200 0.091 0.000 0.850 406 S HN 1.129 nan 8.310 nan 0.000 0.527 407 T N -0.341 114.234 114.554 0.036 0.000 3.072 407 T HA 0.140 4.490 4.350 -0.000 0.000 0.266 407 T C 1.278 175.961 174.700 -0.028 0.000 1.127 407 T CA 0.930 63.044 62.100 0.023 0.000 1.107 407 T CB -0.358 68.523 68.868 0.023 0.000 0.910 407 T HN 0.333 nan 8.240 nan 0.000 0.513 408 E N 0.980 121.150 120.200 -0.050 0.000 2.208 408 E HA 0.026 4.376 4.350 -0.000 0.000 0.193 408 E C 2.146 178.674 176.600 -0.120 0.000 0.988 408 E CA 0.480 56.837 56.400 -0.071 0.000 0.828 408 E CB -0.278 29.384 29.700 -0.063 0.000 0.763 408 E HN 0.408 nan 8.360 nan 0.000 0.478 409 V N 0.413 120.203 119.914 -0.206 0.000 2.535 409 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 409 V C 2.199 178.056 176.094 -0.395 0.000 1.045 409 V CA 1.466 63.557 62.300 -0.347 0.000 1.058 409 V CB -0.282 31.216 31.823 -0.543 0.000 0.689 409 V HN 0.158 nan 8.190 nan 0.000 0.461 410 E N 0.829 120.807 120.200 -0.370 0.000 2.077 410 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 410 E C 1.936 178.517 176.600 -0.030 0.000 0.989 410 E CA 1.425 57.776 56.400 -0.082 0.000 0.800 410 E CB -0.375 29.402 29.700 0.128 0.000 0.746 410 E HN 0.424 nan 8.360 nan 0.000 0.452 411 L N -0.139 121.060 121.223 -0.040 0.000 2.217 411 L HA 0.020 4.359 4.340 -0.000 0.000 0.211 411 L C 2.319 179.181 176.870 -0.013 0.000 1.107 411 L CA 1.577 56.407 54.840 -0.018 0.000 0.783 411 L CB -0.617 41.435 42.059 -0.012 0.000 0.919 411 L HN 0.157 nan 8.230 nan 0.000 0.442 412 S N -0.488 115.187 115.700 -0.041 0.000 2.371 412 S HA -0.191 4.279 4.470 -0.000 0.000 0.224 412 S C 2.063 176.658 174.600 -0.008 0.000 1.029 412 S CA 1.447 59.630 58.200 -0.028 0.000 0.978 412 S CB -0.218 62.944 63.200 -0.062 0.000 0.833 412 S HN 0.611 nan 8.310 nan 0.000 0.466 413 M N -0.513 119.075 119.600 -0.020 0.000 2.349 413 M HA 0.217 4.696 4.480 -0.000 0.000 0.266 413 M C 1.657 177.977 176.300 0.033 0.000 1.076 413 M CA 1.225 56.530 55.300 0.007 0.000 1.126 413 M CB -0.208 32.398 32.600 0.009 0.000 1.392 413 M HN -0.070 nan 8.290 nan 0.000 0.440 414 K N 1.097 121.515 120.400 0.032 0.000 2.366 414 K HA 0.187 4.507 4.320 -0.000 0.000 0.198 414 K C 1.801 178.443 176.600 0.070 0.000 1.044 414 K CA 0.852 57.165 56.287 0.043 0.000 0.973 414 K CB -0.021 32.492 32.500 0.021 0.000 0.767 414 K HN 0.490 nan 8.250 nan 0.000 0.475 415 L N -0.286 120.983 121.223 0.076 0.000 2.416 415 L HA 0.076 4.416 4.340 -0.000 0.000 0.216 415 L C 2.286 179.260 176.870 0.172 0.000 1.098 415 L CA 0.291 55.218 54.840 0.145 0.000 0.840 415 L CB 0.007 42.136 42.059 0.116 0.000 0.981 415 L HN 0.017 nan 8.230 nan 0.000 0.462 416 R N 0.479 121.040 120.500 0.101 0.000 2.090 416 R HA -0.136 4.204 4.340 -0.000 0.000 0.228 416 R C 2.046 178.383 176.300 0.062 0.000 1.110 416 R CA 1.467 57.609 56.100 0.070 0.000 0.973 416 R CB -0.020 30.305 30.300 0.043 0.000 0.869 416 R HN 0.503 nan 8.270 nan 0.000 0.440 417 E N -0.468 119.778 120.200 0.076 0.000 2.285 417 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 417 E C 1.565 178.219 176.600 0.091 0.000 0.997 417 E CA 0.760 57.200 56.400 0.066 0.000 0.845 417 E CB -0.343 29.394 29.700 0.061 0.000 0.782 417 E HN 0.389 nan 8.360 nan 0.000 0.491 418 Y N 1.855 122.154 120.300 -0.001 0.000 2.314 418 Y HA 0.088 4.638 4.550 -0.000 0.000 0.293 418 Y C 2.382 178.277 175.900 -0.009 0.000 1.129 418 Y CA 1.042 59.138 58.100 -0.007 0.000 1.201 418 Y CB -0.273 38.179 38.460 -0.013 0.000 0.999 418 Y HN 0.118 nan 8.280 nan 0.000 0.541 419 A N 0.325 123.091 122.820 -0.090 0.000 1.969 419 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 419 A C 2.033 179.534 177.584 -0.138 0.000 1.169 419 A CA 1.590 53.533 52.037 -0.156 0.000 0.635 419 A CB -0.597 18.387 19.000 -0.026 0.000 0.810 419 A HN 0.622 nan 8.150 nan 0.000 0.445 420 E N -0.630 119.522 120.200 -0.080 0.000 2.153 420 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 420 E C 1.683 178.235 176.600 -0.080 0.000 0.988 420 E CA 0.758 57.124 56.400 -0.057 0.000 0.811 420 E CB -0.237 29.450 29.700 -0.022 0.000 0.746 420 E HN 0.598 nan 8.360 nan 0.000 0.466 421 G N 0.594 109.320 108.800 -0.124 0.000 3.181 421 G HA2 0.164 4.124 3.960 -0.000 0.000 0.219 421 G HA3 0.164 4.124 3.960 -0.000 0.000 0.219 421 G C 0.320 175.120 174.900 -0.167 0.000 1.182 421 G CA -0.231 44.796 45.100 -0.123 0.000 0.791 421 G HN 0.007 nan 8.290 nan 0.000 0.537 422 I N 1.808 122.265 120.570 -0.189 0.000 2.389 422 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 422 I C -0.054 176.005 176.117 -0.098 0.000 0.999 422 I CA -0.741 60.456 61.300 -0.172 0.000 1.129 422 I CB 2.154 40.011 38.000 -0.238 0.000 1.288 422 I HN 0.036 nan 8.210 nan 0.000 0.444 423 S N 4.350 120.008 115.700 -0.070 0.000 2.508 423 S HA 0.948 5.417 4.470 -0.000 0.000 0.284 423 S C 0.114 174.694 174.600 -0.033 0.000 1.192 423 S CA -0.091 58.083 58.200 -0.044 0.000 1.070 423 S CB 1.750 64.930 63.200 -0.034 0.000 1.004 423 S HN 1.214 nan 8.310 nan 0.000 0.493 424 G N 1.885 110.671 108.800 -0.023 0.000 2.331 424 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.479 424 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.479 424 G C -0.090 174.808 174.900 -0.004 0.000 1.262 424 G CA -0.396 44.697 45.100 -0.012 0.000 1.029 424 G HN 0.725 nan 8.290 nan 0.000 0.487 425 R N 0.581 121.085 120.500 0.006 0.000 2.276 425 R HA 0.137 4.477 4.340 -0.000 0.000 0.196 425 R C 2.397 178.715 176.300 0.030 0.000 0.961 425 R CA 1.391 57.502 56.100 0.019 0.000 1.024 425 R CB -0.167 30.148 30.300 0.025 0.000 0.940 425 R HN 0.705 nan 8.270 nan 0.000 0.480 426 E N -0.074 120.139 120.200 0.023 0.000 2.347 426 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 426 E C 1.632 178.248 176.600 0.026 0.000 1.008 426 E CA 0.522 56.942 56.400 0.034 0.000 0.852 426 E CB -0.111 29.601 29.700 0.021 0.000 0.783 426 E HN 0.345 nan 8.360 nan 0.000 0.505 427 Q N 1.340 121.141 119.800 0.002 0.000 2.084 427 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 427 Q C 2.245 178.259 176.000 0.023 0.000 0.978 427 Q CA 1.345 57.140 55.803 -0.013 0.000 0.844 427 Q CB -0.072 28.649 28.738 -0.027 0.000 0.898 427 Q HN 0.448 nan 8.270 nan 0.000 0.426 428 L N 0.221 121.470 121.223 0.042 0.000 2.201 428 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 428 L C 2.515 179.453 176.870 0.114 0.000 1.105 428 L CA 0.835 55.713 54.840 0.064 0.000 0.775 428 L CB -0.502 41.591 42.059 0.056 0.000 0.913 428 L HN 0.235 nan 8.230 nan 0.000 0.440 429 A N -0.380 122.529 122.820 0.148 0.000 1.968 429 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 429 A C 2.290 180.003 177.584 0.216 0.000 1.169 429 A CA 1.306 53.513 52.037 0.285 0.000 0.638 429 A CB -0.524 18.664 19.000 0.313 0.000 0.812 429 A HN 0.188 nan 8.150 nan 0.000 0.446 430 V N -0.092 119.886 119.914 0.107 0.000 2.453 430 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 430 V C 2.539 178.690 176.094 0.095 0.000 1.048 430 V CA 1.863 64.201 62.300 0.063 0.000 1.049 430 V CB -0.802 31.038 31.823 0.029 0.000 0.672 430 V HN 0.491 nan 8.190 nan 0.000 0.457 431 R N 0.428 120.975 120.500 0.077 0.000 2.075 431 R HA -0.074 4.265 4.340 -0.000 0.000 0.232 431 R C 2.400 178.740 176.300 0.065 0.000 1.126 431 R CA 1.465 57.603 56.100 0.064 0.000 0.963 431 R CB -0.517 29.811 30.300 0.046 0.000 0.858 431 R HN 0.521 nan 8.270 nan 0.000 0.435 432 A N 0.169 123.043 122.820 0.090 0.000 2.014 432 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 432 A C 1.856 179.440 177.584 -0.000 0.000 1.163 432 A CA 0.740 52.827 52.037 0.084 0.000 0.652 432 A CB -0.442 18.666 19.000 0.181 0.000 0.808 432 A HN 0.314 nan 8.150 nan 0.000 0.449 433 F N 0.523 120.331 119.950 -0.235 0.000 2.206 433 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 433 F C 2.467 178.153 175.800 -0.190 0.000 1.090 433 F CA 1.168 58.931 58.000 -0.394 0.000 1.323 433 F CB -0.043 38.646 39.000 -0.518 0.000 1.028 433 F HN 0.248 nan 8.300 nan 0.000 0.492 434 A N -0.542 122.336 122.820 0.096 0.000 1.970 434 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 434 A C 1.719 179.288 177.584 -0.024 0.000 1.170 434 A CA 1.640 53.709 52.037 0.053 0.000 0.645 434 A CB -0.700 18.349 19.000 0.081 0.000 0.816 434 A HN 0.334 nan 8.150 nan 0.000 0.447 435 D N 0.101 120.485 120.400 -0.026 0.000 2.269 435 D HA 0.078 4.718 4.640 -0.000 0.000 0.208 435 D C 1.914 178.171 176.300 -0.071 0.000 0.963 435 D CA 1.137 55.115 54.000 -0.037 0.000 0.864 435 D CB -0.139 40.653 40.800 -0.013 0.000 0.936 435 D HN 0.425 nan 8.370 nan 0.000 0.505 436 A N -0.043 122.703 122.820 -0.124 0.000 2.119 436 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 436 A C 2.016 179.491 177.584 -0.181 0.000 1.152 436 A CA 0.290 52.228 52.037 -0.164 0.000 0.708 436 A CB -0.406 18.447 19.000 -0.246 0.000 0.805 436 A HN 0.200 nan 8.150 nan 0.000 0.460 437 L N -0.633 120.485 121.223 -0.176 0.000 2.376 437 L HA -0.053 4.287 4.340 -0.000 0.000 0.219 437 L C 1.637 178.446 176.870 -0.103 0.000 1.133 437 L CA 0.749 55.501 54.840 -0.146 0.000 0.816 437 L CB -0.212 41.779 42.059 -0.114 0.000 0.933 437 L HN 0.405 nan 8.230 nan 0.000 0.449 438 E N -0.736 119.411 120.200 -0.089 0.000 2.445 438 E HA -0.056 4.294 4.350 -0.000 0.000 0.189 438 E C 1.801 178.362 176.600 -0.065 0.000 1.069 438 E CA -0.107 56.249 56.400 -0.073 0.000 0.871 438 E CB 0.502 30.165 29.700 -0.062 0.000 0.991 438 E HN 0.217 nan 8.360 nan 0.000 0.481 439 V N 0.873 120.745 119.914 -0.071 0.000 2.488 439 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 439 V C 1.749 177.810 176.094 -0.055 0.000 1.046 439 V CA 0.959 63.223 62.300 -0.061 0.000 1.053 439 V CB -0.022 31.761 31.823 -0.067 0.000 0.679 439 V HN 0.280 nan 8.190 nan 0.000 0.458 440 I N 1.069 121.604 120.570 -0.058 0.000 2.202 440 I HA -0.072 4.098 4.170 -0.000 0.000 0.242 440 I C 0.006 176.097 176.117 -0.044 0.000 1.091 440 I CA 1.600 62.871 61.300 -0.049 0.000 1.368 440 I CB -2.863 35.108 38.000 -0.047 0.000 1.058 440 I HN 0.359 nan 8.210 nan 0.000 0.410 441 P HA -0.096 nan 4.420 nan 0.000 0.221 441 P C 1.808 179.085 177.300 -0.038 0.000 1.150 441 P CA 1.232 64.308 63.100 -0.040 0.000 0.800 441 P CB -0.129 31.544 31.700 -0.045 0.000 0.787 442 R N -0.043 120.432 120.500 -0.041 0.000 2.073 442 R HA -0.069 4.271 4.340 -0.000 0.000 0.229 442 R C 1.923 178.200 176.300 -0.037 0.000 1.120 442 R CA 2.028 58.106 56.100 -0.037 0.000 0.967 442 R CB -0.717 29.561 30.300 -0.037 0.000 0.862 442 R HN 0.203 nan 8.270 nan 0.000 0.436 443 T N -1.054 113.477 114.554 -0.039 0.000 2.951 443 T HA -0.027 4.323 4.350 -0.000 0.000 0.268 443 T C 1.913 176.588 174.700 -0.042 0.000 1.073 443 T CA 0.626 62.703 62.100 -0.039 0.000 1.134 443 T CB -0.167 68.679 68.868 -0.038 0.000 0.884 443 T HN 0.154 nan 8.240 nan 0.000 0.479 444 L N 0.549 121.746 121.223 -0.044 0.000 2.201 444 L HA 0.109 4.448 4.340 -0.000 0.000 0.212 444 L C 3.044 179.879 176.870 -0.059 0.000 1.105 444 L CA 1.080 55.889 54.840 -0.051 0.000 0.775 444 L CB -0.440 41.592 42.059 -0.046 0.000 0.913 444 L HN 0.406 nan 8.230 nan 0.000 0.440 445 A N -0.845 121.945 122.820 -0.049 0.000 1.984 445 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 445 A C 2.111 179.667 177.584 -0.046 0.000 1.173 445 A CA 0.559 52.567 52.037 -0.048 0.000 0.673 445 A CB -0.152 18.825 19.000 -0.037 0.000 0.830 445 A HN 0.345 nan 8.150 nan 0.000 0.453 446 E N 0.422 120.597 120.200 -0.042 0.000 2.085 446 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 446 E C 1.083 177.658 176.600 -0.041 0.000 0.994 446 E CA 1.249 57.626 56.400 -0.038 0.000 0.801 446 E CB -0.121 29.559 29.700 -0.034 0.000 0.743 446 E HN 0.504 nan 8.360 nan 0.000 0.453 447 N N -0.188 118.483 118.700 -0.048 0.000 2.412 447 N HA 0.025 4.764 4.740 -0.000 0.000 0.184 447 N C 1.181 176.649 175.510 -0.070 0.000 1.101 447 N CA 0.587 53.606 53.050 -0.053 0.000 0.881 447 N CB 0.413 38.869 38.487 -0.052 0.000 0.969 447 N HN 0.081 nan 8.380 nan 0.000 0.459 448 A N -0.016 122.757 122.820 -0.079 0.000 1.975 448 A HA 0.377 4.697 4.320 -0.000 0.000 0.215 448 A C 1.738 179.277 177.584 -0.076 0.000 1.170 448 A CA 1.509 53.485 52.037 -0.102 0.000 0.656 448 A CB -0.151 18.782 19.000 -0.112 0.000 0.821 448 A HN 0.307 nan 8.150 nan 0.000 0.449 449 G N -2.126 106.642 108.800 -0.054 0.000 2.307 449 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.210 449 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.210 449 G C 0.094 174.974 174.900 -0.033 0.000 1.005 449 G CA 0.064 45.140 45.100 -0.040 0.000 0.634 449 G HN 0.377 nan 8.290 nan 0.000 0.496 450 L N 1.578 122.779 121.223 -0.037 0.000 2.466 450 L HA 0.559 4.898 4.340 -0.000 0.000 0.257 450 L C 0.690 177.545 176.870 -0.026 0.000 1.189 450 L CA -0.195 54.628 54.840 -0.029 0.000 0.813 450 L CB 0.449 42.490 42.059 -0.030 0.000 1.118 450 L HN 0.227 nan 8.230 nan 0.000 0.471 451 D N 0.108 120.496 120.400 -0.020 0.000 2.390 451 D HA 0.269 4.909 4.640 -0.000 0.000 0.249 451 D C 0.426 176.715 176.300 -0.019 0.000 1.144 451 D CA 0.349 54.338 54.000 -0.018 0.000 0.880 451 D CB 1.307 42.099 40.800 -0.013 0.000 1.182 451 D HN 0.581 nan 8.370 nan 0.000 0.451 452 A N 3.623 126.430 122.820 -0.021 0.000 2.251 452 A HA 0.094 4.414 4.320 -0.000 0.000 0.209 452 A C 1.592 179.164 177.584 -0.019 0.000 1.187 452 A CA 0.296 52.320 52.037 -0.022 0.000 0.823 452 A CB -0.390 18.595 19.000 -0.025 0.000 0.846 452 A HN 0.707 nan 8.150 nan 0.000 0.486 453 I N -1.929 118.632 120.570 -0.015 0.000 3.339 453 I HA 0.082 4.252 4.170 -0.000 0.000 0.285 453 I C 2.110 178.222 176.117 -0.010 0.000 1.201 453 I CA 0.748 62.040 61.300 -0.013 0.000 1.434 453 I CB 0.065 38.058 38.000 -0.011 0.000 1.152 453 I HN 0.211 nan 8.210 nan 0.000 0.443 454 E N 2.083 122.278 120.200 -0.009 0.000 2.051 454 E HA -0.033 4.316 4.350 -0.000 0.000 0.189 454 E C 2.086 178.684 176.600 -0.003 0.000 0.979 454 E CA 1.370 57.767 56.400 -0.005 0.000 0.803 454 E CB -0.102 29.595 29.700 -0.005 0.000 0.761 454 E HN 0.431 nan 8.360 nan 0.000 0.451 455 I N 0.325 120.891 120.570 -0.006 0.000 2.439 455 I HA -0.152 4.017 4.170 -0.000 0.000 0.251 455 I C 2.102 178.218 176.117 -0.002 0.000 1.139 455 I CA 0.336 61.634 61.300 -0.003 0.000 1.438 455 I CB -0.167 37.828 38.000 -0.007 0.000 1.085 455 I HN 0.149 nan 8.210 nan 0.000 0.427 456 L N 0.322 121.540 121.223 -0.009 0.000 2.265 456 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 456 L C 2.134 179.000 176.870 -0.007 0.000 1.117 456 L CA 1.527 56.359 54.840 -0.013 0.000 0.782 456 L CB -0.181 41.867 42.059 -0.019 0.000 0.914 456 L HN 0.012 nan 8.230 nan 0.000 0.441 457 V N -1.618 118.296 119.914 -0.001 0.000 2.575 457 V HA -0.117 4.003 4.120 -0.000 0.000 0.242 457 V C 2.363 178.466 176.094 0.015 0.000 1.045 457 V CA 1.067 63.370 62.300 0.005 0.000 1.065 457 V CB -0.361 31.464 31.823 0.004 0.000 0.717 457 V HN 0.328 nan 8.190 nan 0.000 0.467 458 K N 0.243 120.652 120.400 0.015 0.000 2.057 458 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 458 K C 2.030 178.656 176.600 0.042 0.000 1.049 458 K CA 1.536 57.837 56.287 0.023 0.000 0.931 458 K CB -0.278 32.232 32.500 0.017 0.000 0.714 458 K HN 0.342 nan 8.250 nan 0.000 0.440 459 V N 0.881 120.825 119.914 0.050 0.000 2.488 459 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 459 V C 2.283 178.460 176.094 0.138 0.000 1.046 459 V CA 1.311 63.672 62.300 0.102 0.000 1.053 459 V CB -0.464 31.404 31.823 0.076 0.000 0.679 459 V HN 0.275 nan 8.190 nan 0.000 0.458 460 R N 0.450 120.983 120.500 0.055 0.000 2.096 460 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 460 R C 2.205 178.550 176.300 0.074 0.000 1.127 460 R CA 1.620 57.742 56.100 0.037 0.000 0.968 460 R CB -0.327 29.975 30.300 0.004 0.000 0.861 460 R HN 0.505 nan 8.270 nan 0.000 0.440 461 A N -0.013 122.844 122.820 0.061 0.000 2.067 461 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 461 A C 1.880 179.499 177.584 0.059 0.000 1.156 461 A CA 1.120 53.187 52.037 0.051 0.000 0.683 461 A CB -0.109 18.910 19.000 0.032 0.000 0.808 461 A HN 0.426 nan 8.150 nan 0.000 0.455 462 A N -2.107 120.760 122.820 0.078 0.000 2.278 462 A HA 0.155 4.475 4.320 -0.000 0.000 0.212 462 A C 1.454 179.037 177.584 -0.002 0.000 1.213 462 A CA 0.316 52.376 52.037 0.039 0.000 0.840 462 A CB -0.573 18.445 19.000 0.030 0.000 0.866 462 A HN 0.631 nan 8.150 nan 0.000 0.489 463 H N -1.188 117.884 119.070 0.003 0.000 2.885 463 H HA 0.344 4.900 4.556 -0.000 0.000 0.260 463 H C 1.269 176.600 175.328 0.005 0.000 0.985 463 H CA 0.524 56.575 56.048 0.004 0.000 1.210 463 H CB 0.456 30.220 29.762 0.003 0.000 1.466 463 H HN 0.531 nan 8.280 nan 0.000 0.493 464 A N 1.336 124.217 122.820 0.102 0.000 2.475 464 A HA 0.221 4.541 4.320 -0.000 0.000 0.239 464 A C 1.472 179.077 177.584 0.034 0.000 1.087 464 A CA 0.918 52.992 52.037 0.061 0.000 0.779 464 A CB 0.201 19.228 19.000 0.045 0.000 1.036 464 A HN 0.658 nan 8.150 nan 0.000 0.506 465 S N 1.073 116.790 115.700 0.029 0.000 4.159 465 S HA -0.372 4.098 4.470 -0.000 0.000 0.538 465 S C 1.042 175.651 174.600 0.014 0.000 1.851 465 S CA 2.254 60.465 58.200 0.018 0.000 4.234 465 S CB -1.596 61.611 63.200 0.011 0.000 0.389 465 S HN 1.001 nan 8.310 nan 0.000 0.454 466 N N 2.326 121.027 118.700 0.002 0.000 3.039 466 N HA 0.442 5.182 4.740 -0.000 0.000 0.231 466 N C 0.841 176.334 175.510 -0.029 0.000 1.053 466 N CA 0.799 53.845 53.050 -0.007 0.000 1.191 466 N CB -0.895 37.587 38.487 -0.009 0.000 1.597 466 N HN 0.958 nan 8.380 nan 0.000 0.585 467 G N 0.310 109.082 108.800 -0.047 0.000 2.569 467 G HA2 0.116 4.076 3.960 -0.000 0.000 0.249 467 G HA3 0.116 4.076 3.960 -0.000 0.000 0.249 467 G C 0.367 175.166 174.900 -0.168 0.000 1.216 467 G CA -0.132 44.914 45.100 -0.090 0.000 0.845 467 G HN 0.207 nan 8.290 nan 0.000 0.568 468 N N -0.357 118.151 118.700 -0.319 0.000 2.454 468 N HA 0.027 4.767 4.740 -0.000 0.000 0.177 468 N C 1.542 176.926 175.510 -0.210 0.000 1.049 468 N CA 0.450 53.359 53.050 -0.234 0.000 0.887 468 N CB 0.169 38.530 38.487 -0.210 0.000 1.095 468 N HN 0.815 nan 8.380 nan 0.000 0.446 469 K N -1.065 119.128 120.400 -0.344 0.000 3.471 469 K HA -0.219 4.101 4.320 -0.000 0.000 0.289 469 K C 0.083 176.694 176.600 0.018 0.000 0.879 469 K CA 1.339 57.588 56.287 -0.064 0.000 1.257 469 K CB -1.557 30.941 32.500 -0.003 0.000 1.334 469 K HN 0.316 nan 8.250 nan 0.000 0.491 470 c N 1.611 120.174 118.600 -0.061 0.000 2.742 470 c HA 0.708 5.278 4.570 -0.000 0.000 0.283 470 c C 0.405 174.492 174.090 -0.005 0.000 1.451 470 c CA 0.191 56.520 56.329 0.001 0.000 1.785 470 c CB -0.765 41.743 42.510 -0.004 0.000 2.664 470 c HN 0.422 nan 8.230 nan 0.000 0.544 471 A N 0.703 123.499 122.820 -0.040 0.000 2.289 471 A HA 0.758 5.078 4.320 -0.000 0.000 0.298 471 A C 0.443 178.115 177.584 0.147 0.000 1.208 471 A CA 0.445 52.489 52.037 0.012 0.000 0.845 471 A CB 0.293 19.239 19.000 -0.090 0.000 1.125 471 A HN 0.871 nan 8.150 nan 0.000 0.517 472 G N 0.272 109.124 108.800 0.085 0.000 2.727 472 G HA2 0.539 4.499 3.960 -0.000 0.000 0.289 472 G HA3 0.539 4.499 3.960 -0.000 0.000 0.289 472 G C -1.599 173.329 174.900 0.047 0.000 1.418 472 G CA -0.673 44.472 45.100 0.075 0.000 0.818 472 G HN 0.993 nan 8.290 nan 0.000 0.486 473 L N 0.822 122.063 121.223 0.030 0.000 2.265 473 L HA 0.593 4.933 4.340 -0.000 0.000 0.288 473 L C -0.421 176.458 176.870 0.015 0.000 1.058 473 L CA -0.921 53.928 54.840 0.015 0.000 0.809 473 L CB 1.164 43.221 42.059 -0.004 0.000 1.179 473 L HN 0.416 nan 8.230 nan 0.000 0.429 474 N N 3.326 122.042 118.700 0.026 0.000 2.439 474 N HA 0.158 4.898 4.740 -0.000 0.000 0.249 474 N C 0.934 176.446 175.510 0.002 0.000 1.003 474 N CA -0.158 52.923 53.050 0.052 0.000 0.942 474 N CB 1.372 39.918 38.487 0.097 0.000 1.115 474 N HN 0.546 nan 8.380 nan 0.000 0.505 475 V N 1.959 121.805 119.914 -0.114 0.000 2.626 475 V HA -0.080 4.040 4.120 -0.000 0.000 0.252 475 V C 1.359 177.272 176.094 -0.302 0.000 1.067 475 V CA 1.355 63.492 62.300 -0.270 0.000 1.081 475 V CB -1.065 30.497 31.823 -0.436 0.000 0.686 475 V HN 0.403 nan 8.190 nan 0.000 0.468 476 F N 1.563 121.513 119.950 0.001 0.000 2.219 476 F HA 0.049 4.576 4.527 -0.000 0.000 0.294 476 F C 2.639 178.440 175.800 0.001 0.000 1.086 476 F CA 1.664 59.664 58.000 0.000 0.000 1.330 476 F CB -1.172 37.828 39.000 0.001 0.000 1.047 476 F HN 0.069 nan 8.300 nan 0.000 0.495 477 T N -1.238 113.425 114.554 0.182 0.000 2.809 477 T HA 0.220 4.569 4.350 -0.000 0.000 0.260 477 T C 2.075 176.807 174.700 0.054 0.000 1.039 477 T CA 1.431 63.591 62.100 0.101 0.000 1.141 477 T CB -0.636 68.282 68.868 0.084 0.000 0.869 477 T HN 0.483 nan 8.240 nan 0.000 0.437 478 G N 1.410 110.229 108.800 0.031 0.000 2.490 478 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.214 478 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.214 478 G C 0.380 175.285 174.900 0.009 0.000 1.151 478 G CA -0.015 45.090 45.100 0.008 0.000 0.684 478 G HN 0.927 nan 8.290 nan 0.000 0.518 479 A N 0.434 123.264 122.820 0.018 0.000 2.304 479 A HA 0.725 5.045 4.320 -0.000 0.000 0.271 479 A C 0.760 178.355 177.584 0.020 0.000 1.091 479 A CA 0.540 52.587 52.037 0.016 0.000 0.812 479 A CB 1.255 20.265 19.000 0.017 0.000 1.056 479 A HN 1.746 nan 8.150 nan 0.000 0.489 480 V N 1.494 121.419 119.914 0.019 0.000 2.485 480 V HA 0.236 4.356 4.120 -0.000 0.000 0.287 480 V C 0.105 176.213 176.094 0.022 0.000 1.022 480 V CA 0.628 62.942 62.300 0.023 0.000 1.067 480 V CB -0.111 31.729 31.823 0.028 0.000 0.967 480 V HN 0.926 nan 8.190 nan 0.000 0.479 481 E N 4.093 124.309 120.200 0.026 0.000 2.359 481 E HA 0.334 4.684 4.350 -0.000 0.000 0.266 481 E C -1.216 175.395 176.600 0.019 0.000 0.920 481 E CA -0.909 55.505 56.400 0.022 0.000 0.788 481 E CB 1.619 31.336 29.700 0.030 0.000 1.279 481 E HN 0.706 nan 8.360 nan 0.000 0.438 482 D N 2.037 122.443 120.400 0.010 0.000 2.339 482 D HA 0.028 4.668 4.640 -0.000 0.000 0.256 482 D C 0.711 177.019 176.300 0.014 0.000 1.214 482 D CA 0.101 54.103 54.000 0.003 0.000 0.877 482 D CB 0.861 41.657 40.800 -0.007 0.000 1.111 482 D HN 0.354 nan 8.370 nan 0.000 0.478 483 M N 2.674 122.286 119.600 0.020 0.000 2.394 483 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 483 M C 2.110 178.422 176.300 0.020 0.000 1.073 483 M CA 0.384 55.700 55.300 0.027 0.000 1.111 483 M CB -0.624 31.997 32.600 0.035 0.000 1.401 483 M HN 0.516 nan 8.290 nan 0.000 0.448 484 c N 0.523 119.131 118.600 0.013 0.000 2.440 484 c HA -0.108 4.462 4.570 -0.000 0.000 0.278 484 c C 2.447 176.541 174.090 0.007 0.000 1.295 484 c CA 0.761 57.095 56.329 0.009 0.000 1.738 484 c CB -0.891 41.620 42.510 0.003 0.000 1.987 484 c HN 0.562 nan 8.230 nan 0.000 0.492 485 E N 0.683 120.887 120.200 0.006 0.000 2.318 485 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 485 E C 1.513 178.118 176.600 0.007 0.000 0.998 485 E CA 0.457 56.860 56.400 0.005 0.000 0.859 485 E CB -0.094 29.607 29.700 0.002 0.000 0.812 485 E HN 0.577 nan 8.360 nan 0.000 0.492 486 N N -0.056 118.651 118.700 0.013 0.000 2.270 486 N HA -0.032 4.707 4.740 -0.000 0.000 0.181 486 N C 1.107 176.625 175.510 0.013 0.000 1.016 486 N CA 1.259 54.319 53.050 0.017 0.000 0.870 486 N CB 0.424 38.930 38.487 0.031 0.000 0.979 486 N HN 0.270 nan 8.380 nan 0.000 0.431 487 G N -1.280 107.529 108.800 0.014 0.000 2.148 487 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.203 487 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.203 487 G C -0.434 174.477 174.900 0.018 0.000 0.993 487 G CA 0.038 45.145 45.100 0.011 0.000 0.661 487 G HN 0.150 nan 8.290 nan 0.000 0.518 488 V N 1.899 121.829 119.914 0.026 0.000 2.299 488 V HA 0.549 4.669 4.120 -0.000 0.000 0.255 488 V C 0.631 176.741 176.094 0.027 0.000 1.100 488 V CA -0.013 62.307 62.300 0.033 0.000 0.938 488 V CB 0.795 32.646 31.823 0.047 0.000 1.139 488 V HN 1.051 nan 8.190 nan 0.000 0.490 489 V N 2.314 122.241 119.914 0.022 0.000 2.709 489 V HA 0.860 4.980 4.120 -0.000 0.000 0.308 489 V C -0.618 175.486 176.094 0.016 0.000 1.062 489 V CA -0.822 61.489 62.300 0.018 0.000 0.901 489 V CB 2.050 33.882 31.823 0.014 0.000 1.003 489 V HN 0.863 nan 8.190 nan 0.000 0.425 490 E N 3.489 123.697 120.200 0.014 0.000 2.288 490 E HA 0.722 5.072 4.350 -0.000 0.000 0.268 490 E C -3.143 173.462 176.600 0.009 0.000 0.885 490 E CA -2.502 53.904 56.400 0.012 0.000 0.767 490 E CB 2.660 32.367 29.700 0.011 0.000 1.220 490 E HN 0.441 nan 8.360 nan 0.000 0.427 491 P HA -0.061 nan 4.420 nan 0.000 0.268 491 P C 0.423 177.726 177.300 0.006 0.000 1.208 491 P CA -0.364 62.740 63.100 0.006 0.000 0.777 491 P CB 0.505 32.208 31.700 0.005 0.000 0.875 492 L N 2.859 124.085 121.223 0.005 0.000 2.201 492 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 492 L C 2.197 179.070 176.870 0.005 0.000 1.105 492 L CA 1.705 56.548 54.840 0.005 0.000 0.775 492 L CB -0.713 41.349 42.059 0.004 0.000 0.913 492 L HN 0.278 nan 8.230 nan 0.000 0.440 493 R N -1.248 119.255 120.500 0.005 0.000 2.148 493 R HA -0.082 4.258 4.340 -0.000 0.000 0.227 493 R C 1.946 178.249 176.300 0.005 0.000 1.103 493 R CA 1.258 57.361 56.100 0.005 0.000 0.983 493 R CB -0.056 30.247 30.300 0.004 0.000 0.874 493 R HN 0.361 nan 8.270 nan 0.000 0.451 494 V N 1.018 120.935 119.914 0.005 0.000 2.515 494 V HA -0.204 3.916 4.120 -0.000 0.000 0.250 494 V C 2.118 178.214 176.094 0.003 0.000 1.058 494 V CA 1.580 63.882 62.300 0.004 0.000 1.064 494 V CB -0.270 31.555 31.823 0.004 0.000 0.675 494 V HN 0.218 nan 8.190 nan 0.000 0.461 495 K N 0.339 120.741 120.400 0.003 0.000 2.168 495 K HA 0.017 4.337 4.320 -0.000 0.000 0.201 495 K C 2.356 178.960 176.600 0.007 0.000 1.049 495 K CA 1.533 57.822 56.287 0.002 0.000 0.974 495 K CB -0.721 31.780 32.500 0.002 0.000 0.792 495 K HN 0.668 nan 8.250 nan 0.000 0.463 496 T N -0.302 114.257 114.554 0.008 0.000 2.821 496 T HA -0.162 4.187 4.350 -0.000 0.000 0.267 496 T C 2.074 176.784 174.700 0.015 0.000 1.046 496 T CA 1.208 63.314 62.100 0.011 0.000 1.139 496 T CB -0.091 68.782 68.868 0.007 0.000 0.871 496 T HN 0.026 nan 8.240 nan 0.000 0.454 497 Q N 1.965 121.772 119.800 0.012 0.000 2.079 497 Q HA 0.218 4.558 4.340 -0.000 0.000 0.200 497 Q C 2.423 178.433 176.000 0.017 0.000 0.974 497 Q CA 1.722 57.533 55.803 0.014 0.000 0.840 497 Q CB -0.936 27.808 28.738 0.010 0.000 0.898 497 Q HN 0.609 nan 8.270 nan 0.000 0.430 498 A N 0.117 122.944 122.820 0.012 0.000 1.933 498 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 498 A C 2.081 179.673 177.584 0.013 0.000 1.175 498 A CA 1.452 53.493 52.037 0.008 0.000 0.628 498 A CB -0.634 18.365 19.000 -0.001 0.000 0.814 498 A HN 0.489 nan 8.150 nan 0.000 0.444 499 I N -1.387 119.196 120.570 0.022 0.000 2.233 499 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 499 I C 2.698 178.862 176.117 0.079 0.000 1.093 499 I CA 1.506 62.833 61.300 0.045 0.000 1.380 499 I CB -0.211 37.827 38.000 0.062 0.000 1.067 499 I HN 0.315 nan 8.210 nan 0.000 0.413 500 Q N 0.949 120.786 119.800 0.063 0.000 2.167 500 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 500 Q C 2.315 178.350 176.000 0.059 0.000 0.970 500 Q CA 2.130 57.972 55.803 0.064 0.000 0.855 500 Q CB -0.174 28.589 28.738 0.041 0.000 0.911 500 Q HN 0.573 nan 8.270 nan 0.000 0.438 501 S N -1.112 114.614 115.700 0.044 0.000 2.406 501 S HA 0.031 4.501 4.470 -0.000 0.000 0.228 501 S C 1.984 176.611 174.600 0.044 0.000 1.020 501 S CA 0.709 58.931 58.200 0.038 0.000 0.965 501 S CB -0.292 62.923 63.200 0.025 0.000 0.798 501 S HN 0.393 nan 8.310 nan 0.000 0.488 502 A N 1.657 124.505 122.820 0.047 0.000 1.935 502 A HA 0.592 4.912 4.320 -0.000 0.000 0.214 502 A C 2.429 180.069 177.584 0.092 0.000 1.178 502 A CA 1.074 53.139 52.037 0.046 0.000 0.640 502 A CB -1.183 17.824 19.000 0.013 0.000 0.825 502 A HN 0.726 nan 8.150 nan 0.000 0.447 503 A N 0.141 123.044 122.820 0.140 0.000 1.873 503 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 503 A C 1.888 179.580 177.584 0.180 0.000 1.186 503 A CA 1.554 53.735 52.037 0.240 0.000 0.616 503 A CB -0.515 18.667 19.000 0.302 0.000 0.823 503 A HN 0.574 nan 8.150 nan 0.000 0.442 504 E N 0.278 120.548 120.200 0.117 0.000 2.150 504 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 504 E C 2.351 178.992 176.600 0.069 0.000 0.985 504 E CA 1.334 57.783 56.400 0.083 0.000 0.814 504 E CB -0.130 29.605 29.700 0.059 0.000 0.752 504 E HN 0.812 nan 8.360 nan 0.000 0.466 505 S N 0.441 116.180 115.700 0.066 0.000 2.371 505 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 505 S C 2.291 176.921 174.600 0.050 0.000 1.029 505 S CA 1.445 59.675 58.200 0.049 0.000 0.978 505 S CB -0.719 62.505 63.200 0.040 0.000 0.833 505 S HN 0.311 nan 8.310 nan 0.000 0.466 506 T N 0.307 114.906 114.554 0.075 0.000 2.904 506 T HA 0.066 4.416 4.350 -0.000 0.000 0.267 506 T C 1.639 176.364 174.700 0.042 0.000 1.059 506 T CA 1.102 63.244 62.100 0.069 0.000 1.137 506 T CB -0.531 68.415 68.868 0.131 0.000 0.879 506 T HN 0.520 nan 8.240 nan 0.000 0.467 507 E N 0.538 120.784 120.200 0.075 0.000 2.106 507 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 507 E C 2.102 178.710 176.600 0.013 0.000 0.984 507 E CA 0.974 57.399 56.400 0.042 0.000 0.806 507 E CB -0.226 29.522 29.700 0.080 0.000 0.750 507 E HN 0.498 nan 8.360 nan 0.000 0.458 508 M N 0.397 120.011 119.600 0.023 0.000 2.200 508 M HA -0.088 4.392 4.480 -0.000 0.000 0.265 508 M C 1.910 178.213 176.300 0.005 0.000 1.066 508 M CA 1.108 56.417 55.300 0.015 0.000 1.127 508 M CB 0.203 32.816 32.600 0.022 0.000 1.379 508 M HN 0.098 nan 8.290 nan 0.000 0.420 509 L N -0.042 121.182 121.223 0.002 0.000 2.217 509 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 509 L C 1.814 178.668 176.870 -0.027 0.000 1.107 509 L CA 0.632 55.469 54.840 -0.005 0.000 0.783 509 L CB -0.281 41.777 42.059 -0.002 0.000 0.919 509 L HN 0.331 nan 8.230 nan 0.000 0.442 510 L N -0.613 120.582 121.223 -0.047 0.000 2.627 510 L HA -0.002 4.338 4.340 -0.000 0.000 0.233 510 L C 1.651 178.481 176.870 -0.067 0.000 1.144 510 L CA 0.352 55.145 54.840 -0.080 0.000 0.892 510 L CB -0.150 41.826 42.059 -0.138 0.000 1.039 510 L HN 0.143 nan 8.230 nan 0.000 0.442 511 R N -0.310 120.168 120.500 -0.037 0.000 2.507 511 R HA 0.332 4.672 4.340 -0.000 0.000 0.298 511 R C -0.261 176.031 176.300 -0.012 0.000 0.999 511 R CA -0.098 55.989 56.100 -0.022 0.000 1.082 511 R CB 0.496 30.792 30.300 -0.006 0.000 1.246 511 R HN 0.203 nan 8.270 nan 0.000 0.553 512 I N 1.381 121.942 120.570 -0.015 0.000 2.378 512 I HA 0.122 4.292 4.170 -0.000 0.000 0.291 512 I C 0.423 176.537 176.117 -0.005 0.000 0.992 512 I CA -0.310 60.990 61.300 -0.001 0.000 1.154 512 I CB 1.647 39.653 38.000 0.009 0.000 1.315 512 I HN 0.084 nan 8.210 nan 0.000 0.448 513 D N 2.979 123.382 120.400 0.005 0.000 2.502 513 D HA 0.084 4.724 4.640 -0.000 0.000 0.232 513 D C -0.082 176.236 176.300 0.030 0.000 1.137 513 D CA 0.100 54.105 54.000 0.008 0.000 0.827 513 D CB 1.047 41.847 40.800 -0.000 0.000 1.141 513 D HN 0.386 nan 8.370 nan 0.000 0.517 514 D N 0.697 121.118 120.400 0.035 0.000 2.896 514 D HA 0.327 4.967 4.640 -0.000 0.000 0.241 514 D C -1.296 175.036 176.300 0.052 0.000 1.188 514 D CA -0.519 53.509 54.000 0.046 0.000 0.879 514 D CB 3.202 44.019 40.800 0.028 0.000 1.553 514 D HN -0.245 nan 8.370 nan 0.000 0.515 515 V N 4.821 124.781 119.914 0.078 0.000 2.409 515 V HA 0.463 4.583 4.120 -0.000 0.000 0.291 515 V C 0.191 176.306 176.094 0.036 0.000 1.020 515 V CA -0.657 61.691 62.300 0.079 0.000 0.848 515 V CB 1.592 33.511 31.823 0.160 0.000 0.990 515 V HN 0.424 nan 8.190 nan 0.000 0.430 516 I N 4.355 124.933 120.570 0.013 0.000 2.354 516 I HA 0.700 4.870 4.170 -0.000 0.000 0.286 516 I C 0.276 176.383 176.117 -0.016 0.000 1.007 516 I CA -0.351 60.942 61.300 -0.012 0.000 1.167 516 I CB 1.559 39.553 38.000 -0.011 0.000 1.320 516 I HN 0.668 nan 8.210 nan 0.000 0.458 517 A N 5.583 128.384 122.820 -0.033 0.000 2.323 517 A HA 0.849 5.169 4.320 -0.000 0.000 0.305 517 A C 0.039 177.599 177.584 -0.040 0.000 1.275 517 A CA -0.455 51.561 52.037 -0.034 0.000 0.804 517 A CB 0.768 19.746 19.000 -0.037 0.000 1.152 517 A HN 0.741 nan 8.150 nan 0.000 0.487 518 A N 1.651 124.453 122.820 -0.031 0.000 2.259 518 A HA 0.721 5.041 4.320 -0.000 0.000 0.278 518 A C 0.610 178.179 177.584 -0.026 0.000 1.107 518 A CA 0.523 52.543 52.037 -0.028 0.000 0.828 518 A CB 0.086 19.073 19.000 -0.021 0.000 1.111 518 A HN 1.403 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 -0.000 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