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 3kfe_1_H 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 0.000 175.483 175.510 -0.045 0.000 1.280 11 N CA 0.000 53.031 53.050 -0.032 0.000 0.885 11 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 12 M N 0.249 119.812 119.600 -0.062 0.000 1.778 12 M HA 0.236 4.716 4.480 0.000 0.000 0.200 12 M C -0.544 175.710 176.300 -0.077 0.000 1.294 12 M CA 0.340 55.606 55.300 -0.057 0.000 0.913 12 M CB 0.919 33.489 32.600 -0.051 0.000 1.645 12 M HN 0.041 nan 8.290 nan 0.000 0.598 13 K N 1.368 121.688 120.400 -0.133 0.000 2.471 13 K HA 0.591 4.911 4.320 0.000 0.000 0.252 13 K C -1.078 175.301 176.600 -0.368 0.000 0.938 13 K CA -0.440 55.711 56.287 -0.225 0.000 0.796 13 K CB 3.183 35.533 32.500 -0.251 0.000 1.161 13 K HN 0.029 nan 8.250 nan 0.000 0.425 14 R N 2.674 122.949 120.500 -0.375 0.000 2.621 14 R HA 0.374 4.714 4.340 0.000 0.000 0.284 14 R C -1.648 174.494 176.300 -0.264 0.000 0.998 14 R CA -0.600 55.285 56.100 -0.358 0.000 0.895 14 R CB 0.979 31.193 30.300 -0.143 0.000 1.195 14 R HN 0.415 nan 8.270 nan 0.000 0.450 15 Y N 3.594 123.888 120.300 -0.010 0.000 2.352 15 Y HA 0.462 5.012 4.550 0.000 0.000 0.339 15 Y C 0.092 175.991 175.900 -0.002 0.000 0.992 15 Y CA -1.240 56.858 58.100 -0.004 0.000 1.100 15 Y CB 1.842 40.302 38.460 0.000 0.000 1.192 15 Y HN 0.304 nan 8.280 nan 0.000 0.458 16 M N 2.287 121.985 119.600 0.163 0.000 2.238 16 M HA 0.389 4.869 4.480 0.000 0.000 0.350 16 M C 1.083 177.416 176.300 0.055 0.000 1.138 16 M CA -0.111 55.237 55.300 0.080 0.000 1.040 16 M CB 0.987 33.620 32.600 0.055 0.000 1.639 16 M HN 0.929 nan 8.290 nan 0.000 0.451 17 G N 4.263 113.084 108.800 0.034 0.000 2.672 17 G HA2 -0.395 3.565 3.960 0.000 0.000 0.332 17 G HA3 -0.395 3.565 3.960 0.000 0.000 0.332 17 G C 0.978 175.881 174.900 0.005 0.000 1.213 17 G CA 1.001 46.106 45.100 0.009 0.000 0.980 17 G HN 0.717 nan 8.290 nan 0.000 0.548 18 R N 0.747 121.243 120.500 -0.006 0.000 2.241 18 R HA 0.092 4.432 4.340 0.000 0.000 0.224 18 R C 2.090 178.384 176.300 -0.011 0.000 1.101 18 R CA 1.380 57.472 56.100 -0.014 0.000 0.995 18 R CB -0.234 30.054 30.300 -0.019 0.000 0.870 18 R HN 0.490 nan 8.270 nan 0.000 0.463 19 D N 0.084 120.483 120.400 -0.002 0.000 2.137 19 D HA 0.014 4.654 4.640 0.000 0.000 0.202 19 D C 1.769 178.068 176.300 -0.001 0.000 0.970 19 D CA 1.335 55.322 54.000 -0.022 0.000 0.837 19 D CB -0.079 40.709 40.800 -0.019 0.000 0.981 19 D HN 0.207 nan 8.370 nan 0.000 0.475 20 A N 0.402 123.264 122.820 0.069 0.000 1.929 20 A HA -0.162 4.158 4.320 0.000 0.000 0.216 20 A C 2.098 179.728 177.584 0.077 0.000 1.176 20 A CA 1.206 53.316 52.037 0.122 0.000 0.628 20 A CB -0.436 18.643 19.000 0.133 0.000 0.816 20 A HN 0.170 nan 8.150 nan 0.000 0.444 21 Q N -1.006 118.816 119.800 0.037 0.000 2.046 21 Q HA -0.142 4.198 4.340 0.000 0.000 0.200 21 Q C 2.356 178.363 176.000 0.011 0.000 0.975 21 Q CA 1.641 57.456 55.803 0.020 0.000 0.836 21 Q CB -0.154 28.583 28.738 -0.002 0.000 0.896 21 Q HN 0.668 nan 8.270 nan 0.000 0.428 22 R N 0.032 120.530 120.500 -0.004 0.000 2.105 22 R HA -0.186 4.154 4.340 0.000 0.000 0.239 22 R C 2.091 178.382 176.300 -0.014 0.000 1.135 22 R CA 1.440 57.530 56.100 -0.017 0.000 0.967 22 R CB -0.114 30.167 30.300 -0.031 0.000 0.861 22 R HN 0.173 nan 8.270 nan 0.000 0.442 23 M N 0.951 120.550 119.600 -0.002 0.000 2.065 23 M HA -0.169 4.311 4.480 0.000 0.000 0.259 23 M C 1.441 177.784 176.300 0.071 0.000 1.069 23 M CA 1.865 57.192 55.300 0.045 0.000 1.110 23 M CB -0.286 32.361 32.600 0.079 0.000 1.328 23 M HN 0.190 nan 8.290 nan 0.000 0.405 24 N N -0.182 118.561 118.700 0.071 0.000 2.171 24 N HA -0.016 4.724 4.740 0.000 0.000 0.184 24 N C 1.862 177.348 175.510 -0.040 0.000 1.021 24 N CA 1.551 54.614 53.050 0.021 0.000 0.854 24 N CB -0.432 38.093 38.487 0.064 0.000 0.994 24 N HN 0.421 nan 8.380 nan 0.000 0.426 25 I N 0.874 121.435 120.570 -0.016 0.000 2.361 25 I HA -0.212 3.958 4.170 0.000 0.000 0.251 25 I C 2.247 178.339 176.117 -0.042 0.000 1.133 25 I CA 0.717 62.004 61.300 -0.021 0.000 1.413 25 I CB -0.116 37.879 38.000 -0.008 0.000 1.073 25 I HN 0.074 nan 8.210 nan 0.000 0.424 26 L N 0.771 121.965 121.223 -0.048 0.000 2.068 26 L HA -0.068 4.272 4.340 0.000 0.000 0.204 26 L C 2.697 179.509 176.870 -0.097 0.000 1.076 26 L CA 1.493 56.299 54.840 -0.057 0.000 0.753 26 L CB -0.320 41.714 42.059 -0.042 0.000 0.910 26 L HN 0.141 nan 8.230 nan 0.000 0.439 27 A N -0.338 122.377 122.820 -0.176 0.000 1.978 27 A HA -0.122 4.198 4.320 0.000 0.000 0.220 27 A C 2.240 179.689 177.584 -0.225 0.000 1.170 27 A CA 1.599 53.443 52.037 -0.323 0.000 0.636 27 A CB -1.430 17.016 19.000 -0.923 0.000 0.810 27 A HN 0.549 nan 8.150 nan 0.000 0.448 28 G N -0.424 108.280 108.800 -0.160 0.000 2.414 28 G HA2 -0.204 3.756 3.960 0.000 0.000 0.215 28 G HA3 -0.204 3.756 3.960 0.000 0.000 0.215 28 G C 1.679 176.535 174.900 -0.072 0.000 1.188 28 G CA 0.726 45.768 45.100 -0.097 0.000 0.783 28 G HN 0.561 nan 8.290 nan 0.000 0.537 29 R N -0.245 120.218 120.500 -0.062 0.000 2.200 29 R HA 0.045 4.385 4.340 0.000 0.000 0.234 29 R C 2.381 178.652 176.300 -0.048 0.000 1.127 29 R CA 0.727 56.797 56.100 -0.049 0.000 0.989 29 R CB -0.289 29.987 30.300 -0.040 0.000 0.869 29 R HN 0.398 nan 8.270 nan 0.000 0.459 30 I N 0.742 121.277 120.570 -0.057 0.000 2.480 30 I HA -0.173 3.997 4.170 0.000 0.000 0.251 30 I C 2.274 178.366 176.117 -0.041 0.000 1.124 30 I CA 0.845 62.117 61.300 -0.047 0.000 1.444 30 I CB -0.010 37.961 38.000 -0.049 0.000 1.098 30 I HN 0.139 nan 8.210 nan 0.000 0.428 31 I N -1.337 119.205 120.570 -0.048 0.000 2.761 31 I HA -0.017 4.153 4.170 0.000 0.000 0.261 31 I C 2.486 178.582 176.117 -0.034 0.000 1.198 31 I CA 1.036 62.315 61.300 -0.036 0.000 1.482 31 I CB -0.661 37.318 38.000 -0.034 0.000 1.100 31 I HN 0.015 nan 8.210 nan 0.000 0.445 32 A N 2.007 124.803 122.820 -0.039 0.000 1.855 32 A HA -0.180 4.140 4.320 0.000 0.000 0.215 32 A C 2.171 179.734 177.584 -0.034 0.000 1.191 32 A CA 1.713 53.727 52.037 -0.038 0.000 0.613 32 A CB -0.751 18.223 19.000 -0.044 0.000 0.829 32 A HN 0.525 nan 8.150 nan 0.000 0.442 33 E N -0.967 119.213 120.200 -0.033 0.000 2.463 33 E HA -0.083 4.267 4.350 0.000 0.000 0.201 33 E C 1.475 178.061 176.600 -0.024 0.000 1.045 33 E CA 1.023 57.406 56.400 -0.028 0.000 0.872 33 E CB -0.151 29.533 29.700 -0.027 0.000 0.797 33 E HN 0.529 nan 8.360 nan 0.000 0.538 34 T N -0.607 113.933 114.554 -0.024 0.000 3.067 34 T HA -0.039 4.311 4.350 0.000 0.000 0.261 34 T C 1.516 176.205 174.700 -0.018 0.000 1.110 34 T CA 0.974 63.063 62.100 -0.019 0.000 1.113 34 T CB 0.382 69.239 68.868 -0.018 0.000 0.917 34 T HN 0.180 nan 8.240 nan 0.000 0.499 35 V N -2.295 117.606 119.914 -0.021 0.000 3.502 35 V HA 0.424 4.544 4.120 0.000 0.000 0.288 35 V C 1.854 177.935 176.094 -0.022 0.000 1.461 35 V CA -0.259 62.030 62.300 -0.019 0.000 1.029 35 V CB -0.311 31.500 31.823 -0.019 0.000 0.843 35 V HN 0.098 nan 8.190 nan 0.000 0.438 36 R N 2.236 122.721 120.500 -0.025 0.000 2.154 36 R HA -0.168 4.173 4.340 0.000 0.000 0.248 36 R C 2.413 178.700 176.300 -0.023 0.000 1.155 36 R CA 2.031 58.115 56.100 -0.027 0.000 0.979 36 R CB -0.306 29.977 30.300 -0.028 0.000 0.869 36 R HN 0.799 nan 8.270 nan 0.000 0.452 37 S N -0.870 114.819 115.700 -0.019 0.000 2.562 37 S HA -0.060 4.410 4.470 0.000 0.000 0.221 37 S C 1.664 176.256 174.600 -0.013 0.000 0.975 37 S CA 1.059 59.249 58.200 -0.015 0.000 0.918 37 S CB 0.179 63.371 63.200 -0.013 0.000 0.772 37 S HN 0.407 nan 8.310 nan 0.000 0.531 38 T N -0.793 113.753 114.554 -0.014 0.000 3.086 38 T HA 0.361 4.711 4.350 0.000 0.000 0.250 38 T C 0.294 174.987 174.700 -0.012 0.000 1.074 38 T CA -0.489 61.605 62.100 -0.010 0.000 0.988 38 T CB -0.449 68.413 68.868 -0.009 0.000 0.988 38 T HN 0.341 nan 8.240 nan 0.000 0.530 39 L N 2.391 123.603 121.223 -0.018 0.000 2.361 39 L HA 0.567 4.907 4.340 0.000 0.000 0.278 39 L C 0.750 177.604 176.870 -0.027 0.000 1.113 39 L CA 1.224 56.050 54.840 -0.024 0.000 0.849 39 L CB -0.224 41.817 42.059 -0.030 0.000 1.155 39 L HN 0.661 nan 8.230 nan 0.000 0.452 40 G N 4.124 112.909 108.800 -0.026 0.000 2.661 40 G HA2 -0.171 3.789 3.960 0.000 0.000 0.685 40 G HA3 -0.171 3.789 3.960 0.000 0.000 0.685 40 G C -2.586 172.306 174.900 -0.014 0.000 1.298 40 G CA -0.460 44.617 45.100 -0.037 0.000 0.855 40 G HN 0.457 nan 8.290 nan 0.000 0.560 41 P HA 0.057 nan 4.420 nan 0.000 0.216 41 P C 1.311 178.656 177.300 0.074 0.000 1.153 41 P CA 1.199 64.337 63.100 0.064 0.000 0.844 41 P CB 0.133 31.911 31.700 0.130 0.000 0.787 42 K N 0.364 120.779 120.400 0.026 0.000 2.665 42 K HA 0.237 4.557 4.320 0.000 0.000 0.214 42 K C 0.946 177.555 176.600 0.014 0.000 1.032 42 K CA 0.085 56.394 56.287 0.037 0.000 1.198 42 K CB -0.551 31.958 32.500 0.015 0.000 0.941 42 K HN 0.117 nan 8.250 nan 0.000 0.491 43 G N 0.429 109.236 108.800 0.012 0.000 2.434 43 G HA2 0.480 4.440 3.960 0.000 0.000 0.330 43 G HA3 0.480 4.440 3.960 0.000 0.000 0.330 43 G C -0.081 174.825 174.900 0.010 0.000 1.155 43 G CA -0.573 44.529 45.100 0.004 0.000 0.917 43 G HN -0.052 nan 8.290 nan 0.000 0.493 44 M N 0.494 120.096 119.600 0.004 0.000 2.573 44 M HA 0.380 4.860 4.480 0.000 0.000 0.309 44 M C -0.850 175.450 176.300 0.000 0.000 1.202 44 M CA -0.646 54.656 55.300 0.004 0.000 0.975 44 M CB 1.710 34.310 32.600 0.001 0.000 1.600 44 M HN 0.345 nan 8.290 nan 0.000 0.479 45 D N 1.249 121.648 120.400 -0.000 0.000 2.181 45 D HA 0.365 5.005 4.640 0.000 0.000 0.248 45 D C -0.397 175.897 176.300 -0.010 0.000 1.020 45 D CA -0.249 53.749 54.000 -0.004 0.000 0.891 45 D CB 1.213 42.012 40.800 -0.003 0.000 1.187 45 D HN 0.134 nan 8.370 nan 0.000 0.443 46 K N 1.494 121.886 120.400 -0.012 0.000 2.213 46 K HA 0.330 4.650 4.320 0.000 0.000 0.270 46 K C -0.169 176.416 176.600 -0.025 0.000 1.002 46 K CA -0.509 55.768 56.287 -0.017 0.000 0.868 46 K CB 1.977 34.469 32.500 -0.014 0.000 1.093 46 K HN 0.476 nan 8.250 nan 0.000 0.454 47 M N 4.242 123.823 119.600 -0.031 0.000 2.233 47 M HA 0.305 4.785 4.480 0.000 0.000 0.355 47 M C -1.246 175.029 176.300 -0.042 0.000 1.191 47 M CA -0.504 54.767 55.300 -0.048 0.000 1.101 47 M CB 0.595 33.160 32.600 -0.058 0.000 1.592 47 M HN 0.593 nan 8.290 nan 0.000 0.461 48 L N 6.331 127.524 121.223 -0.050 0.000 2.490 48 L HA 0.423 4.763 4.340 0.000 0.000 0.256 48 L C -1.110 175.740 176.870 -0.034 0.000 1.089 48 L CA -0.617 54.203 54.840 -0.034 0.000 0.916 48 L CB 1.424 43.469 42.059 -0.024 0.000 1.188 48 L HN 0.603 nan 8.230 nan 0.000 0.476 49 V N 1.645 121.541 119.914 -0.030 0.000 3.185 49 V HA 0.212 4.332 4.120 0.000 0.000 0.305 49 V C 0.285 176.373 176.094 -0.011 0.000 1.090 49 V CA -0.174 62.112 62.300 -0.023 0.000 1.107 49 V CB 1.191 33.002 31.823 -0.019 0.000 1.061 49 V HN 0.803 nan 8.190 nan 0.000 0.480 50 D N 0.865 121.262 120.400 -0.004 0.000 2.574 50 D HA 0.186 4.826 4.640 0.000 0.000 0.210 50 D C 0.417 176.718 176.300 0.002 0.000 1.277 50 D CA 0.244 54.244 54.000 0.000 0.000 1.121 50 D CB -0.171 40.632 40.800 0.004 0.000 1.192 50 D HN 0.518 nan 8.370 nan 0.000 0.602 51 D N -1.408 118.995 120.400 0.004 0.000 2.369 51 D HA 0.097 4.738 4.640 0.000 0.000 0.211 51 D C 0.911 177.214 176.300 0.005 0.000 1.077 51 D CA -0.031 53.972 54.000 0.004 0.000 0.842 51 D CB -0.184 40.619 40.800 0.005 0.000 0.947 51 D HN 0.268 nan 8.370 nan 0.000 0.509 52 L N -0.118 121.109 121.223 0.007 0.000 3.066 52 L HA 0.412 4.752 4.340 0.000 0.000 0.265 52 L C 1.444 178.321 176.870 0.011 0.000 1.232 52 L CA 0.059 54.905 54.840 0.009 0.000 1.031 52 L CB 0.462 42.528 42.059 0.011 0.000 1.379 52 L HN 0.245 nan 8.230 nan 0.000 0.563 53 G N -0.364 108.441 108.800 0.008 0.000 2.205 53 G HA2 -0.327 3.633 3.960 0.000 0.000 0.269 53 G HA3 -0.327 3.633 3.960 0.000 0.000 0.269 53 G C 0.113 175.020 174.900 0.012 0.000 0.977 53 G CA 0.451 45.556 45.100 0.008 0.000 0.652 53 G HN 0.398 nan 8.290 nan 0.000 0.539 54 D N 0.160 120.570 120.400 0.016 0.000 2.346 54 D HA 0.420 5.060 4.640 0.000 0.000 0.260 54 D C 0.531 176.836 176.300 0.009 0.000 1.252 54 D CA 0.178 54.195 54.000 0.028 0.000 0.895 54 D CB 1.532 42.350 40.800 0.031 0.000 1.097 54 D HN 0.336 nan 8.370 nan 0.000 0.489 55 V N 3.531 123.442 119.914 -0.005 0.000 2.716 55 V HA 0.669 4.789 4.120 0.000 0.000 0.304 55 V C -0.759 175.254 176.094 -0.135 0.000 1.053 55 V CA -0.438 61.803 62.300 -0.098 0.000 0.984 55 V CB 1.989 33.710 31.823 -0.169 0.000 1.021 55 V HN 0.234 nan 8.190 nan 0.000 0.467 56 V N 5.808 125.635 119.914 -0.144 0.000 2.737 56 V HA 0.468 4.588 4.120 0.000 0.000 0.298 56 V C -0.943 175.093 176.094 -0.097 0.000 1.163 56 V CA -0.290 61.945 62.300 -0.108 0.000 0.925 56 V CB 2.251 34.076 31.823 0.003 0.000 1.037 56 V HN 0.825 nan 8.190 nan 0.000 0.433 57 V N 5.497 125.346 119.914 -0.107 0.000 2.427 57 V HA 0.872 4.992 4.120 0.000 0.000 0.286 57 V C 0.173 176.258 176.094 -0.015 0.000 1.034 57 V CA 0.001 62.262 62.300 -0.065 0.000 0.893 57 V CB 1.651 33.428 31.823 -0.076 0.000 0.982 57 V HN 0.991 nan 8.190 nan 0.000 0.452 58 T N 2.393 116.941 114.554 -0.011 0.000 2.830 58 T HA 0.270 4.620 4.350 0.000 0.000 0.322 58 T C 0.025 174.724 174.700 -0.001 0.000 1.501 58 T CA -0.445 61.656 62.100 0.001 0.000 1.036 58 T CB 1.867 70.738 68.868 0.005 0.000 1.379 58 T HN 0.673 nan 8.240 nan 0.000 0.493 59 N N 1.328 120.030 118.700 0.004 0.000 2.197 59 N HA 0.046 4.786 4.740 0.000 0.000 0.201 59 N C -0.227 175.283 175.510 0.001 0.000 1.148 59 N CA -0.107 52.944 53.050 0.002 0.000 0.883 59 N CB 0.475 38.967 38.487 0.007 0.000 1.012 59 N HN 0.741 nan 8.380 nan 0.000 0.507 60 D N 0.397 120.799 120.400 0.003 0.000 2.382 60 D HA 0.036 4.676 4.640 0.000 0.000 0.259 60 D C 1.191 177.490 176.300 -0.002 0.000 1.224 60 D CA 0.066 54.066 54.000 0.001 0.000 0.894 60 D CB 1.227 42.030 40.800 0.004 0.000 1.127 60 D HN 0.320 nan 8.370 nan 0.000 0.487 61 G N 3.521 112.318 108.800 -0.005 0.000 2.586 61 G HA2 -0.303 3.657 3.960 0.000 0.000 0.218 61 G HA3 -0.303 3.657 3.960 0.000 0.000 0.218 61 G C 1.510 176.406 174.900 -0.007 0.000 1.216 61 G CA 0.917 46.012 45.100 -0.008 0.000 0.786 61 G HN 0.506 nan 8.290 nan 0.000 0.583 62 V N 1.546 121.457 119.914 -0.005 0.000 2.287 62 V HA -0.207 3.913 4.120 0.000 0.000 0.248 62 V C 3.347 179.440 176.094 -0.002 0.000 1.053 62 V CA 3.627 65.924 62.300 -0.004 0.000 1.027 62 V CB -0.967 30.855 31.823 -0.003 0.000 0.646 62 V HN 0.698 nan 8.190 nan 0.000 0.447 63 T N -1.380 113.174 114.554 0.000 0.000 2.684 63 T HA -0.235 4.115 4.350 0.000 0.000 0.267 63 T C 1.869 176.569 174.700 0.001 0.000 1.036 63 T CA 2.092 64.194 62.100 0.002 0.000 1.148 63 T CB -0.769 68.102 68.868 0.005 0.000 0.863 63 T HN 0.483 nan 8.240 nan 0.000 0.436 64 I N 1.223 121.792 120.570 -0.002 0.000 2.091 64 I HA -0.229 3.941 4.170 0.000 0.000 0.240 64 I C 2.740 178.855 176.117 -0.003 0.000 1.046 64 I CA 1.812 63.110 61.300 -0.004 0.000 1.306 64 I CB -0.531 37.465 38.000 -0.007 0.000 1.018 64 I HN 0.252 nan 8.210 nan 0.000 0.404 65 L N -0.158 121.063 121.223 -0.004 0.000 1.955 65 L HA -0.243 4.097 4.340 0.000 0.000 0.213 65 L C 2.822 179.692 176.870 0.001 0.000 1.072 65 L CA 1.467 56.306 54.840 -0.003 0.000 0.755 65 L CB -0.678 41.378 42.059 -0.005 0.000 0.888 65 L HN 0.168 nan 8.230 nan 0.000 0.432 66 R N 0.347 120.848 120.500 0.001 0.000 2.154 66 R HA -0.217 4.123 4.340 0.000 0.000 0.236 66 R C 1.363 177.666 176.300 0.005 0.000 1.121 66 R CA 1.938 58.040 56.100 0.004 0.000 0.915 66 R CB -0.488 29.815 30.300 0.004 0.000 0.856 66 R HN 0.454 nan 8.270 nan 0.000 0.431 67 E N 1.107 121.310 120.200 0.004 0.000 2.330 67 E HA 0.030 4.380 4.350 0.000 0.000 0.210 67 E C 0.054 176.656 176.600 0.003 0.000 1.256 67 E CA -0.059 56.344 56.400 0.005 0.000 1.346 67 E CB -0.135 29.569 29.700 0.006 0.000 1.308 67 E HN 0.332 nan 8.360 nan 0.000 0.441 68 M N -2.289 117.314 119.600 0.004 0.000 2.518 68 M HA 0.433 4.913 4.480 0.000 0.000 0.300 68 M C -0.652 175.653 176.300 0.008 0.000 1.175 68 M CA -0.771 54.532 55.300 0.004 0.000 0.890 68 M CB 2.118 34.719 32.600 0.002 0.000 1.710 68 M HN -0.343 nan 8.290 nan 0.000 0.453 69 S N 2.453 118.159 115.700 0.009 0.000 3.024 69 S HA 0.278 4.748 4.470 0.000 0.000 0.316 69 S C -0.216 174.395 174.600 0.019 0.000 1.197 69 S CA -0.510 57.698 58.200 0.014 0.000 1.097 69 S CB -0.820 62.387 63.200 0.012 0.000 1.471 69 S HN 0.463 nan 8.310 nan 0.000 0.543 70 V N 3.947 123.875 119.914 0.022 0.000 2.406 70 V HA 0.245 4.365 4.120 0.000 0.000 0.272 70 V C 0.864 176.986 176.094 0.046 0.000 1.043 70 V CA -0.218 62.102 62.300 0.033 0.000 0.915 70 V CB 1.437 33.276 31.823 0.027 0.000 0.988 70 V HN 0.612 nan 8.190 nan 0.000 0.466 71 E N 1.518 121.758 120.200 0.065 0.000 2.228 71 E HA 0.072 4.422 4.350 0.000 0.000 0.197 71 E C 0.856 177.516 176.600 0.101 0.000 0.909 71 E CA 0.136 56.575 56.400 0.064 0.000 0.911 71 E CB -0.108 29.619 29.700 0.045 0.000 0.887 71 E HN 0.714 nan 8.360 nan 0.000 0.481 72 H N 3.587 122.670 119.070 0.021 0.000 3.094 72 H HA -0.035 4.521 4.556 0.000 0.000 0.320 72 H C -1.566 173.777 175.328 0.026 0.000 1.000 72 H CA -0.876 55.189 56.048 0.030 0.000 1.413 72 H CB 1.058 30.838 29.762 0.030 0.000 1.405 72 H HN -0.070 nan 8.280 nan 0.000 0.586 73 P HA -0.138 nan 4.420 nan 0.000 0.216 73 P C 1.175 178.624 177.300 0.248 0.000 1.153 73 P CA 1.741 64.970 63.100 0.216 0.000 0.848 73 P CB 0.052 31.815 31.700 0.106 0.000 0.787 74 A N 1.275 124.328 122.820 0.388 0.000 1.849 74 A HA -0.165 4.155 4.320 0.000 0.000 0.217 74 A C 2.598 180.182 177.584 -0.001 0.000 1.202 74 A CA 2.837 54.931 52.037 0.096 0.000 0.629 74 A CB -1.749 17.222 19.000 -0.049 0.000 0.834 74 A HN 0.223 nan 8.150 nan 0.000 0.447 75 A N -0.522 122.243 122.820 -0.092 0.000 1.948 75 A HA -0.231 4.089 4.320 0.000 0.000 0.220 75 A C 2.040 179.627 177.584 0.004 0.000 1.177 75 A CA 2.070 54.068 52.037 -0.064 0.000 0.636 75 A CB -0.577 18.372 19.000 -0.086 0.000 0.815 75 A HN 0.579 nan 8.150 nan 0.000 0.449 76 K N -1.228 119.200 120.400 0.047 0.000 2.293 76 K HA -0.140 4.181 4.320 0.000 0.000 0.204 76 K C 1.626 178.243 176.600 0.027 0.000 1.045 76 K CA 1.729 58.041 56.287 0.041 0.000 0.933 76 K CB -0.240 32.294 32.500 0.056 0.000 0.736 76 K HN 0.599 nan 8.250 nan 0.000 0.463 77 M N -0.801 118.814 119.600 0.025 0.000 2.461 77 M HA 0.014 4.494 4.480 0.000 0.000 0.255 77 M C 1.128 177.433 176.300 0.008 0.000 1.137 77 M CA 0.204 55.515 55.300 0.019 0.000 1.086 77 M CB 0.342 32.959 32.600 0.028 0.000 1.356 77 M HN 0.009 nan 8.290 nan 0.000 0.487 78 L N 0.564 121.785 121.223 -0.003 0.000 2.313 78 L HA 0.034 4.374 4.340 0.000 0.000 0.214 78 L C 1.997 178.862 176.870 -0.008 0.000 1.119 78 L CA 1.387 56.221 54.840 -0.010 0.000 0.809 78 L CB -0.408 41.637 42.059 -0.023 0.000 0.933 78 L HN 0.253 nan 8.230 nan 0.000 0.449 79 I N -1.070 119.498 120.570 -0.003 0.000 2.830 79 I HA -0.154 4.016 4.170 0.000 0.000 0.263 79 I C 2.052 178.170 176.117 0.001 0.000 1.230 79 I CA 0.342 61.641 61.300 -0.001 0.000 1.480 79 I CB -0.181 37.821 38.000 0.003 0.000 1.095 79 I HN 0.270 nan 8.210 nan 0.000 0.455 80 E N 0.806 121.009 120.200 0.004 0.000 2.051 80 E HA -0.158 4.192 4.350 0.000 0.000 0.192 80 E C 2.453 179.055 176.600 0.003 0.000 0.991 80 E CA 1.175 57.579 56.400 0.006 0.000 0.799 80 E CB -0.336 29.370 29.700 0.010 0.000 0.748 80 E HN 0.311 nan 8.360 nan 0.000 0.449 81 V N 1.810 121.724 119.914 0.000 0.000 2.287 81 V HA -0.272 3.848 4.120 0.000 0.000 0.248 81 V C 2.503 178.594 176.094 -0.006 0.000 1.053 81 V CA 1.988 64.286 62.300 -0.003 0.000 1.027 81 V CB -0.940 30.877 31.823 -0.009 0.000 0.646 81 V HN 0.264 nan 8.190 nan 0.000 0.447 82 A N -0.752 122.064 122.820 -0.008 0.000 1.972 82 A HA -0.245 4.075 4.320 0.000 0.000 0.219 82 A C 2.329 179.911 177.584 -0.005 0.000 1.169 82 A CA 2.043 54.075 52.037 -0.008 0.000 0.635 82 A CB -0.453 18.541 19.000 -0.009 0.000 0.810 82 A HN 0.513 nan 8.150 nan 0.000 0.446 83 K N -0.757 119.642 120.400 -0.002 0.000 2.288 83 K HA -0.089 4.231 4.320 0.000 0.000 0.201 83 K C 1.953 178.553 176.600 -0.000 0.000 1.048 83 K CA 1.559 57.846 56.287 -0.000 0.000 0.956 83 K CB -0.056 32.445 32.500 0.002 0.000 0.746 83 K HN 0.677 nan 8.250 nan 0.000 0.461 84 T N -2.544 112.010 114.554 -0.000 0.000 3.037 84 T HA -0.034 4.316 4.350 0.000 0.000 0.252 84 T C 1.716 176.415 174.700 -0.001 0.000 1.073 84 T CA 0.150 62.251 62.100 0.000 0.000 1.091 84 T CB 0.246 69.115 68.868 0.002 0.000 0.935 84 T HN 0.036 nan 8.240 nan 0.000 0.488 85 Q N 2.567 122.365 119.800 -0.003 0.000 2.020 85 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 85 Q C 2.208 178.206 176.000 -0.004 0.000 0.982 85 Q CA 2.543 58.343 55.803 -0.005 0.000 0.838 85 Q CB -0.514 28.219 28.738 -0.008 0.000 0.899 85 Q HN 0.848 nan 8.270 nan 0.000 0.423 86 E N -0.479 119.719 120.200 -0.004 0.000 2.118 86 E HA -0.283 4.067 4.350 0.000 0.000 0.195 86 E C 1.814 178.412 176.600 -0.003 0.000 0.992 86 E CA 1.556 57.954 56.400 -0.003 0.000 0.804 86 E CB -0.225 29.474 29.700 -0.002 0.000 0.741 86 E HN 0.169 nan 8.360 nan 0.000 0.458 87 K N 0.401 120.800 120.400 -0.002 0.000 2.103 87 K HA -0.072 4.248 4.320 0.000 0.000 0.204 87 K C 1.580 178.179 176.600 -0.002 0.000 1.052 87 K CA 1.365 57.651 56.287 -0.002 0.000 0.945 87 K CB 0.320 32.819 32.500 -0.001 0.000 0.722 87 K HN 0.115 nan 8.250 nan 0.000 0.443 88 E N -0.903 119.295 120.200 -0.002 0.000 2.498 88 E HA 0.101 4.451 4.350 0.000 0.000 0.203 88 E C 0.660 177.259 176.600 -0.003 0.000 1.013 88 E CA 0.188 56.586 56.400 -0.002 0.000 0.927 88 E CB 1.060 30.760 29.700 -0.001 0.000 1.012 88 E HN 0.087 nan 8.360 nan 0.000 0.482 89 V N -1.902 118.010 119.914 -0.003 0.000 4.763 89 V HA 0.438 4.558 4.120 0.000 0.000 0.146 89 V C 1.317 177.409 176.094 -0.003 0.000 1.198 89 V CA 0.429 62.727 62.300 -0.003 0.000 1.220 89 V CB 0.724 32.545 31.823 -0.004 0.000 1.571 89 V HN 0.214 nan 8.190 nan 0.000 0.595 90 G N 0.015 108.813 108.800 -0.003 0.000 3.514 90 G HA2 -0.085 3.875 3.960 0.000 0.000 0.197 90 G HA3 -0.085 3.875 3.960 0.000 0.000 0.197 90 G C -0.368 174.530 174.900 -0.003 0.000 1.098 90 G CA 0.343 45.441 45.100 -0.003 0.000 0.884 90 G HN 0.532 nan 8.290 nan 0.000 0.433 91 D N -0.222 120.177 120.400 -0.003 0.000 2.384 91 D HA 0.547 5.187 4.640 0.000 0.000 0.250 91 D C 1.108 177.404 176.300 -0.006 0.000 1.029 91 D CA 0.906 54.904 54.000 -0.003 0.000 0.990 91 D CB 1.137 41.936 40.800 -0.002 0.000 1.175 91 D HN 1.376 nan 8.370 nan 0.000 0.532 92 G N 0.442 109.237 108.800 -0.009 0.000 2.225 92 G HA2 -0.281 3.679 3.960 0.000 0.000 0.264 92 G HA3 -0.281 3.679 3.960 0.000 0.000 0.264 92 G C 0.913 175.804 174.900 -0.014 0.000 1.060 92 G CA 1.179 46.272 45.100 -0.013 0.000 0.833 92 G HN 0.638 nan 8.290 nan 0.000 0.498 93 T N -3.654 110.893 114.554 -0.012 0.000 2.809 93 T HA -0.061 4.289 4.350 0.000 0.000 0.260 93 T C 2.258 176.948 174.700 -0.017 0.000 1.039 93 T CA 2.221 64.313 62.100 -0.013 0.000 1.141 93 T CB -0.467 68.396 68.868 -0.009 0.000 0.869 93 T HN 0.273 nan 8.240 nan 0.000 0.437 94 T N 2.852 117.396 114.554 -0.017 0.000 2.684 94 T HA -0.145 4.205 4.350 0.000 0.000 0.267 94 T C 2.413 177.096 174.700 -0.030 0.000 1.036 94 T CA 2.247 64.334 62.100 -0.022 0.000 1.148 94 T CB -1.048 67.808 68.868 -0.020 0.000 0.863 94 T HN 0.818 nan 8.240 nan 0.000 0.436 95 T N 0.714 115.249 114.554 -0.031 0.000 2.915 95 T HA 0.118 4.468 4.350 0.000 0.000 0.269 95 T C 2.221 176.894 174.700 -0.046 0.000 1.071 95 T CA 0.979 63.055 62.100 -0.040 0.000 1.132 95 T CB -0.466 68.380 68.868 -0.037 0.000 0.878 95 T HN 0.352 nan 8.240 nan 0.000 0.479 96 A N 1.183 123.980 122.820 -0.038 0.000 1.873 96 A HA 0.127 4.447 4.320 0.000 0.000 0.215 96 A C 2.618 180.175 177.584 -0.045 0.000 1.186 96 A CA 1.339 53.352 52.037 -0.040 0.000 0.616 96 A CB -1.062 17.922 19.000 -0.026 0.000 0.823 96 A HN 0.380 nan 8.150 nan 0.000 0.442 97 V N -0.312 119.580 119.914 -0.038 0.000 2.295 97 V HA -0.230 3.890 4.120 0.000 0.000 0.246 97 V C 2.609 178.674 176.094 -0.050 0.000 1.049 97 V CA 2.003 64.279 62.300 -0.039 0.000 1.024 97 V CB -0.683 31.121 31.823 -0.030 0.000 0.648 97 V HN 0.368 nan 8.190 nan 0.000 0.447 98 V N -0.385 119.498 119.914 -0.051 0.000 2.255 98 V HA -0.251 3.869 4.120 0.000 0.000 0.247 98 V C 2.427 178.474 176.094 -0.079 0.000 1.051 98 V CA 2.102 64.367 62.300 -0.058 0.000 1.018 98 V CB -0.491 31.300 31.823 -0.054 0.000 0.641 98 V HN 0.401 nan 8.190 nan 0.000 0.445 99 V N 0.240 120.097 119.914 -0.095 0.000 2.332 99 V HA -0.293 3.827 4.120 0.000 0.000 0.248 99 V C 2.705 178.705 176.094 -0.157 0.000 1.055 99 V CA 2.063 64.278 62.300 -0.142 0.000 1.038 99 V CB -1.142 30.587 31.823 -0.157 0.000 0.651 99 V HN 0.583 nan 8.190 nan 0.000 0.450 100 A N 0.266 123.018 122.820 -0.115 0.000 1.978 100 A HA -0.128 4.193 4.320 0.000 0.000 0.220 100 A C 2.374 179.912 177.584 -0.077 0.000 1.170 100 A CA 2.039 54.020 52.037 -0.093 0.000 0.636 100 A CB -1.055 17.911 19.000 -0.057 0.000 0.810 100 A HN 0.550 nan 8.150 nan 0.000 0.448 101 G N -0.750 108.007 108.800 -0.072 0.000 2.394 101 G HA2 -0.152 3.808 3.960 0.000 0.000 0.214 101 G HA3 -0.152 3.808 3.960 0.000 0.000 0.214 101 G C 1.420 176.284 174.900 -0.061 0.000 1.176 101 G CA 1.069 46.135 45.100 -0.057 0.000 0.786 101 G HN 0.551 nan 8.290 nan 0.000 0.533 102 E N 0.069 120.218 120.200 -0.085 0.000 2.338 102 E HA 0.069 4.419 4.350 0.000 0.000 0.197 102 E C 2.358 178.894 176.600 -0.106 0.000 1.007 102 E CA 0.316 56.662 56.400 -0.089 0.000 0.849 102 E CB -0.245 29.392 29.700 -0.106 0.000 0.774 102 E HN 0.463 nan 8.360 nan 0.000 0.506 103 L N -0.424 120.712 121.223 -0.145 0.000 2.131 103 L HA -0.061 4.279 4.340 0.000 0.000 0.206 103 L C 2.194 179.108 176.870 0.074 0.000 1.087 103 L CA 0.599 55.354 54.840 -0.141 0.000 0.767 103 L CB -0.253 41.618 42.059 -0.314 0.000 0.917 103 L HN 0.206 nan 8.230 nan 0.000 0.441 104 L N -0.500 120.746 121.223 0.038 0.000 2.093 104 L HA -0.203 4.138 4.340 0.000 0.000 0.208 104 L C 2.817 179.709 176.870 0.037 0.000 1.085 104 L CA 1.124 55.997 54.840 0.055 0.000 0.755 104 L CB -0.502 41.567 42.059 0.016 0.000 0.904 104 L HN 0.265 nan 8.230 nan 0.000 0.435 105 R N 0.487 120.994 120.500 0.010 0.000 2.070 105 R HA -0.164 4.176 4.340 0.000 0.000 0.233 105 R C 2.305 178.620 176.300 0.024 0.000 1.137 105 R CA 1.339 57.442 56.100 0.004 0.000 0.945 105 R CB 0.006 30.298 30.300 -0.013 0.000 0.845 105 R HN 0.134 nan 8.270 nan 0.000 0.430 106 K N 0.253 120.678 120.400 0.041 0.000 2.209 106 K HA -0.073 4.247 4.320 0.000 0.000 0.204 106 K C 1.935 178.596 176.600 0.101 0.000 1.048 106 K CA 1.170 57.500 56.287 0.072 0.000 0.940 106 K CB -0.218 32.333 32.500 0.086 0.000 0.729 106 K HN 0.313 nan 8.250 nan 0.000 0.451 107 A N 2.040 124.937 122.820 0.129 0.000 1.972 107 A HA -0.196 4.124 4.320 0.000 0.000 0.219 107 A C 1.969 179.555 177.584 0.004 0.000 1.169 107 A CA 1.727 53.800 52.037 0.061 0.000 0.635 107 A CB -0.345 18.698 19.000 0.070 0.000 0.810 107 A HN 0.560 nan 8.150 nan 0.000 0.446 108 E N -0.145 120.063 120.200 0.013 0.000 2.435 108 E HA -0.063 4.287 4.350 0.000 0.000 0.195 108 E C 1.264 177.862 176.600 -0.003 0.000 1.029 108 E CA 0.677 57.075 56.400 -0.004 0.000 0.865 108 E CB -0.244 29.453 29.700 -0.005 0.000 0.833 108 E HN 0.703 nan 8.360 nan 0.000 0.510 109 E N 0.950 121.154 120.200 0.007 0.000 2.204 109 E HA -0.082 4.269 4.350 0.000 0.000 0.194 109 E C 1.928 178.530 176.600 0.003 0.000 0.989 109 E CA 0.852 57.256 56.400 0.007 0.000 0.824 109 E CB 0.036 29.746 29.700 0.017 0.000 0.756 109 E HN 0.405 nan 8.360 nan 0.000 0.477 110 L N 0.062 121.284 121.223 -0.002 0.000 2.249 110 L HA 0.003 4.343 4.340 0.000 0.000 0.207 110 L C 2.199 179.056 176.870 -0.022 0.000 1.090 110 L CA 0.338 55.172 54.840 -0.011 0.000 0.802 110 L CB -0.154 41.889 42.059 -0.026 0.000 0.947 110 L HN 0.123 nan 8.230 nan 0.000 0.453 111 L N -0.391 120.814 121.223 -0.029 0.000 2.156 111 L HA -0.119 4.221 4.340 0.000 0.000 0.208 111 L C 1.566 178.418 176.870 -0.029 0.000 1.095 111 L CA 0.892 55.709 54.840 -0.037 0.000 0.770 111 L CB -0.327 41.707 42.059 -0.042 0.000 0.914 111 L HN 0.231 nan 8.230 nan 0.000 0.439 112 D N -0.226 120.162 120.400 -0.020 0.000 2.336 112 D HA -0.054 4.586 4.640 0.000 0.000 0.229 112 D C 1.309 177.603 176.300 -0.011 0.000 1.061 112 D CA 0.571 54.562 54.000 -0.016 0.000 0.875 112 D CB 0.348 41.140 40.800 -0.012 0.000 0.904 112 D HN 0.475 nan 8.370 nan 0.000 0.525 113 Q N 0.083 119.877 119.800 -0.010 0.000 2.179 113 Q HA 0.112 4.452 4.340 0.000 0.000 0.213 113 Q C -0.212 175.785 176.000 -0.006 0.000 0.833 113 Q CA -0.195 55.605 55.803 -0.005 0.000 0.990 113 Q CB 0.729 29.466 28.738 -0.001 0.000 1.132 113 Q HN 0.124 nan 8.270 nan 0.000 0.493 114 N N -0.221 118.471 118.700 -0.013 0.000 2.776 114 N HA -0.133 4.607 4.740 0.000 0.000 0.250 114 N C -0.525 174.984 175.510 -0.002 0.000 1.112 114 N CA 0.420 53.463 53.050 -0.013 0.000 0.733 114 N CB -1.648 36.836 38.487 -0.006 0.000 1.097 114 N HN 0.037 nan 8.380 nan 0.000 0.558 115 V N 1.596 121.508 119.914 -0.004 0.000 2.614 115 V HA 0.021 4.141 4.120 0.000 0.000 0.291 115 V C 1.224 177.329 176.094 0.019 0.000 1.049 115 V CA -0.219 62.089 62.300 0.014 0.000 1.038 115 V CB 1.160 32.982 31.823 -0.002 0.000 0.980 115 V HN 0.253 nan 8.190 nan 0.000 0.481 116 H N 7.394 126.448 119.070 -0.028 0.000 2.848 116 H HA 0.093 4.649 4.556 0.000 0.000 0.341 116 H C -1.679 173.625 175.328 -0.039 0.000 1.060 116 H CA -1.485 54.548 56.048 -0.026 0.000 1.444 116 H CB 1.789 31.539 29.762 -0.019 0.000 1.446 116 H HN 0.383 nan 8.280 nan 0.000 0.583 117 P HA -0.176 nan 4.420 nan 0.000 0.216 117 P C 1.403 178.783 177.300 0.132 0.000 1.154 117 P CA 2.611 65.722 63.100 0.019 0.000 0.865 117 P CB -0.002 31.674 31.700 -0.039 0.000 0.789 118 T N -3.605 111.169 114.554 0.367 0.000 2.962 118 T HA -0.079 4.271 4.350 0.000 0.000 0.270 118 T C 1.697 176.424 174.700 0.046 0.000 1.088 118 T CA 0.760 62.946 62.100 0.144 0.000 1.127 118 T CB -0.788 68.105 68.868 0.041 0.000 0.883 118 T HN -0.090 nan 8.240 nan 0.000 0.493 119 I N 1.090 121.695 120.570 0.059 0.000 2.333 119 I HA 0.009 4.179 4.170 0.000 0.000 0.246 119 I C 2.660 178.763 176.117 -0.025 0.000 1.106 119 I CA 0.273 61.578 61.300 0.009 0.000 1.411 119 I CB -1.146 36.867 38.000 0.022 0.000 1.082 119 I HN 0.163 nan 8.210 nan 0.000 0.420 120 V N 0.591 120.466 119.914 -0.065 0.000 2.233 120 V HA -0.241 3.879 4.120 0.000 0.000 0.247 120 V C 2.616 178.567 176.094 -0.237 0.000 1.050 120 V CA 1.864 64.034 62.300 -0.217 0.000 1.010 120 V CB -0.758 30.892 31.823 -0.289 0.000 0.637 120 V HN 0.319 nan 8.190 nan 0.000 0.444 121 V N -0.094 119.750 119.914 -0.118 0.000 2.759 121 V HA -0.226 3.894 4.120 0.000 0.000 0.256 121 V C 2.402 178.527 176.094 0.052 0.000 1.080 121 V CA 2.434 64.726 62.300 -0.013 0.000 1.101 121 V CB -0.482 31.359 31.823 0.030 0.000 0.698 121 V HN 0.618 nan 8.190 nan 0.000 0.477 122 K N -0.042 120.373 120.400 0.024 0.000 2.001 122 K HA -0.057 4.263 4.320 0.000 0.000 0.208 122 K C 2.067 178.706 176.600 0.065 0.000 1.048 122 K CA 1.624 57.933 56.287 0.038 0.000 0.932 122 K CB -0.695 31.814 32.500 0.016 0.000 0.715 122 K HN 0.536 nan 8.250 nan 0.000 0.437 123 G N -0.413 108.426 108.800 0.066 0.000 2.448 123 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 123 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 123 G C 1.343 176.382 174.900 0.231 0.000 1.135 123 G CA 0.394 45.563 45.100 0.116 0.000 0.784 123 G HN 0.361 nan 8.290 nan 0.000 0.543 124 Y N 0.076 120.425 120.300 0.083 0.000 2.200 124 Y HA -0.172 4.378 4.550 0.000 0.000 0.290 124 Y C 3.166 179.056 175.900 -0.017 0.000 1.137 124 Y CA 1.171 59.358 58.100 0.144 0.000 1.163 124 Y CB 0.042 38.642 38.460 0.232 0.000 0.988 124 Y HN 0.240 nan 8.280 nan 0.000 0.518 125 Q N 0.452 120.361 119.800 0.182 0.000 2.061 125 Q HA -0.242 4.098 4.340 0.000 0.000 0.204 125 Q C 2.423 178.394 176.000 -0.048 0.000 0.984 125 Q CA 1.506 57.343 55.803 0.055 0.000 0.846 125 Q CB -0.241 28.533 28.738 0.060 0.000 0.902 125 Q HN 0.478 nan 8.270 nan 0.000 0.421 126 A N 0.646 123.457 122.820 -0.014 0.000 1.917 126 A HA -0.207 4.113 4.320 0.000 0.000 0.219 126 A C 2.200 179.675 177.584 -0.182 0.000 1.182 126 A CA 2.058 54.080 52.037 -0.024 0.000 0.633 126 A CB -0.903 18.148 19.000 0.085 0.000 0.819 126 A HN 0.568 nan 8.150 nan 0.000 0.448 127 A N -0.801 121.828 122.820 -0.318 0.000 1.975 127 A HA 0.380 4.700 4.320 0.000 0.000 0.215 127 A C 2.432 179.484 177.584 -0.887 0.000 1.170 127 A CA 1.475 53.131 52.037 -0.636 0.000 0.656 127 A CB -0.810 17.756 19.000 -0.724 0.000 0.821 127 A HN 1.014 nan 8.150 nan 0.000 0.449 128 A N -0.533 121.772 122.820 -0.858 0.000 1.933 128 A HA -0.187 4.133 4.320 0.000 0.000 0.218 128 A C 2.134 179.557 177.584 -0.269 0.000 1.175 128 A CA 2.110 53.862 52.037 -0.474 0.000 0.628 128 A CB -0.463 18.448 19.000 -0.148 0.000 0.814 128 A HN 0.517 nan 8.150 nan 0.000 0.444 129 Q N 0.198 119.852 119.800 -0.243 0.000 1.993 129 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 129 Q C 2.048 177.912 176.000 -0.227 0.000 0.984 129 Q CA 2.465 58.163 55.803 -0.176 0.000 0.837 129 Q CB -0.335 28.323 28.738 -0.132 0.000 0.902 129 Q HN 0.458 nan 8.270 nan 0.000 0.423 130 K N 0.064 120.246 120.400 -0.364 0.000 2.009 130 K HA -0.051 4.269 4.320 0.000 0.000 0.210 130 K C 1.812 178.232 176.600 -0.301 0.000 1.049 130 K CA 1.833 57.852 56.287 -0.448 0.000 0.929 130 K CB -0.960 31.000 32.500 -0.900 0.000 0.714 130 K HN 0.280 nan 8.250 nan 0.000 0.440 131 A N 0.360 123.008 122.820 -0.287 0.000 2.125 131 A HA -0.142 4.179 4.320 0.000 0.000 0.219 131 A C 1.910 179.433 177.584 -0.101 0.000 1.156 131 A CA 1.246 53.187 52.037 -0.160 0.000 0.671 131 A CB -0.401 18.539 19.000 -0.099 0.000 0.794 131 A HN 0.360 nan 8.150 nan 0.000 0.459 132 Q N 0.060 119.793 119.800 -0.112 0.000 2.137 132 Q HA -0.141 4.199 4.340 0.000 0.000 0.198 132 Q C 1.951 177.915 176.000 -0.060 0.000 0.960 132 Q CA 1.686 57.448 55.803 -0.069 0.000 0.847 132 Q CB -0.287 28.413 28.738 -0.063 0.000 0.915 132 Q HN 1.000 nan 8.270 nan 0.000 0.448 133 E N -0.248 119.905 120.200 -0.077 0.000 2.318 133 E HA -0.021 4.329 4.350 0.000 0.000 0.193 133 E C 1.960 178.529 176.600 -0.052 0.000 0.998 133 E CA 0.066 56.431 56.400 -0.058 0.000 0.859 133 E CB -0.237 29.427 29.700 -0.059 0.000 0.812 133 E HN 0.208 nan 8.360 nan 0.000 0.492 134 L N 0.655 121.835 121.223 -0.071 0.000 2.201 134 L HA -0.063 4.277 4.340 0.000 0.000 0.212 134 L C 2.325 179.177 176.870 -0.031 0.000 1.105 134 L CA 0.667 55.475 54.840 -0.054 0.000 0.775 134 L CB -0.026 41.987 42.059 -0.076 0.000 0.913 134 L HN 0.188 nan 8.230 nan 0.000 0.440 135 L N -1.170 120.034 121.223 -0.031 0.000 2.127 135 L HA -0.132 4.208 4.340 0.000 0.000 0.203 135 L C 2.462 179.324 176.870 -0.013 0.000 1.080 135 L CA 0.776 55.605 54.840 -0.018 0.000 0.768 135 L CB -0.278 41.771 42.059 -0.017 0.000 0.924 135 L HN 0.075 nan 8.230 nan 0.000 0.444 136 K N -0.214 120.176 120.400 -0.017 0.000 2.077 136 K HA -0.275 4.045 4.320 0.000 0.000 0.213 136 K C 2.038 178.634 176.600 -0.007 0.000 1.051 136 K CA 2.356 58.635 56.287 -0.013 0.000 0.929 136 K CB -0.391 32.100 32.500 -0.016 0.000 0.715 136 K HN 0.475 nan 8.250 nan 0.000 0.451 137 T N -0.770 113.779 114.554 -0.008 0.000 3.023 137 T HA -0.024 4.326 4.350 0.000 0.000 0.266 137 T C 1.558 176.260 174.700 0.003 0.000 1.093 137 T CA 0.733 62.832 62.100 -0.002 0.000 1.129 137 T CB -0.297 68.570 68.868 -0.002 0.000 0.899 137 T HN 0.407 nan 8.240 nan 0.000 0.491 138 I N -0.738 119.835 120.570 0.004 0.000 3.884 138 I HA 0.676 4.846 4.170 0.000 0.000 0.330 138 I C 0.327 176.451 176.117 0.011 0.000 1.451 138 I CA -1.073 60.234 61.300 0.011 0.000 1.165 138 I CB -0.271 37.740 38.000 0.018 0.000 1.097 138 I HN 0.156 nan 8.210 nan 0.000 0.404 139 A N 1.537 124.361 122.820 0.006 0.000 2.258 139 A HA 0.543 4.863 4.320 0.000 0.000 0.316 139 A C 0.309 177.897 177.584 0.005 0.000 1.279 139 A CA -0.454 51.586 52.037 0.005 0.000 0.876 139 A CB 0.036 19.037 19.000 0.002 0.000 1.170 139 A HN 0.558 nan 8.150 nan 0.000 0.520 140 C N 2.295 121.599 119.300 0.007 0.000 2.679 140 C HA 0.234 4.694 4.460 0.000 0.000 0.417 140 C C 0.871 175.864 174.990 0.004 0.000 1.302 140 C CA -0.661 58.360 59.018 0.006 0.000 1.973 140 C CB -0.623 27.121 27.740 0.007 0.000 2.715 140 C HN 0.766 nan 8.230 nan 0.000 0.628 141 E N 0.608 120.810 120.200 0.004 0.000 2.349 141 E HA 0.643 4.993 4.350 0.000 0.000 0.262 141 E C -0.511 176.091 176.600 0.003 0.000 1.088 141 E CA -0.059 56.343 56.400 0.003 0.000 0.899 141 E CB 1.479 31.180 29.700 0.003 0.000 1.044 141 E HN 0.516 nan 8.360 nan 0.000 0.420 142 V N -0.040 119.876 119.914 0.003 0.000 3.120 142 V HA 0.406 4.526 4.120 0.000 0.000 0.303 142 V C 0.090 176.185 176.094 0.003 0.000 1.238 142 V CA -1.116 61.186 62.300 0.003 0.000 1.008 142 V CB 2.287 34.112 31.823 0.004 0.000 1.064 142 V HN 0.758 nan 8.190 nan 0.000 0.434 143 G N 1.131 109.933 108.800 0.003 0.000 2.380 143 G HA2 0.473 4.433 3.960 0.000 0.000 0.262 143 G HA3 0.473 4.433 3.960 0.000 0.000 0.262 143 G C 1.007 175.909 174.900 0.003 0.000 1.243 143 G CA 0.284 45.386 45.100 0.003 0.000 0.865 143 G HN 1.298 nan 8.290 nan 0.000 0.513 144 A N 1.803 124.625 122.820 0.003 0.000 2.194 144 A HA -0.109 4.211 4.320 0.000 0.000 0.220 144 A C 1.816 179.401 177.584 0.002 0.000 1.162 144 A CA 1.805 53.844 52.037 0.002 0.000 0.674 144 A CB -0.037 18.964 19.000 0.002 0.000 0.789 144 A HN 0.651 nan 8.150 nan 0.000 0.470 145 Q N -1.058 118.743 119.800 0.002 0.000 2.118 145 Q HA 0.051 4.391 4.340 0.000 0.000 0.219 145 Q C -0.540 175.462 176.000 0.002 0.000 0.794 145 Q CA -0.260 55.544 55.803 0.002 0.000 1.035 145 Q CB 0.526 29.266 28.738 0.003 0.000 1.177 145 Q HN 0.422 nan 8.270 nan 0.000 0.478 146 D N 1.604 122.006 120.400 0.003 0.000 2.619 146 D HA -0.080 4.560 4.640 0.000 0.000 0.238 146 D C 0.623 176.924 176.300 0.003 0.000 1.158 146 D CA 0.523 54.525 54.000 0.003 0.000 1.251 146 D CB 0.258 41.061 40.800 0.003 0.000 1.134 146 D HN 0.162 nan 8.370 nan 0.000 0.487 147 K N 1.288 121.689 120.400 0.002 0.000 2.519 147 K HA -0.130 4.190 4.320 0.000 0.000 0.196 147 K C 1.585 178.187 176.600 0.003 0.000 1.041 147 K CA 0.590 56.878 56.287 0.002 0.000 0.954 147 K CB 0.301 32.801 32.500 0.001 0.000 0.774 147 K HN 0.389 nan 8.250 nan 0.000 0.480 148 E N 0.393 120.595 120.200 0.003 0.000 2.075 148 E HA -0.091 4.259 4.350 0.000 0.000 0.190 148 E C 1.832 178.435 176.600 0.005 0.000 0.969 148 E CA 0.491 56.894 56.400 0.004 0.000 0.815 148 E CB 0.060 29.762 29.700 0.004 0.000 0.776 148 E HN 0.271 nan 8.360 nan 0.000 0.457 149 I N 1.466 122.039 120.570 0.005 0.000 2.252 149 I HA -0.258 3.912 4.170 0.000 0.000 0.245 149 I C 2.504 178.624 176.117 0.006 0.000 1.102 149 I CA 0.673 61.977 61.300 0.006 0.000 1.385 149 I CB -0.115 37.889 38.000 0.006 0.000 1.064 149 I HN 0.192 nan 8.210 nan 0.000 0.414 150 L N 0.039 121.264 121.223 0.004 0.000 2.137 150 L HA -0.275 4.065 4.340 0.000 0.000 0.213 150 L C 2.316 179.188 176.870 0.004 0.000 1.085 150 L CA 1.629 56.471 54.840 0.003 0.000 0.760 150 L CB -0.930 41.129 42.059 0.001 0.000 0.893 150 L HN 0.314 nan 8.230 nan 0.000 0.434 151 T N -1.422 113.135 114.554 0.005 0.000 3.054 151 T HA -0.049 4.301 4.350 0.000 0.000 0.259 151 T C 1.844 176.550 174.700 0.009 0.000 1.092 151 T CA 0.528 62.632 62.100 0.006 0.000 1.121 151 T CB 0.175 69.046 68.868 0.005 0.000 0.912 151 T HN 0.274 nan 8.240 nan 0.000 0.489 152 K N 0.754 121.160 120.400 0.010 0.000 2.155 152 K HA 0.181 4.501 4.320 0.000 0.000 0.203 152 K C 1.955 178.564 176.600 0.015 0.000 1.052 152 K CA 0.756 57.052 56.287 0.014 0.000 0.948 152 K CB -0.063 32.446 32.500 0.014 0.000 0.728 152 K HN 0.292 nan 8.250 nan 0.000 0.448 153 I N 0.756 121.333 120.570 0.011 0.000 2.233 153 I HA -0.216 3.955 4.170 0.000 0.000 0.243 153 I C 2.235 178.359 176.117 0.010 0.000 1.093 153 I CA 0.902 62.208 61.300 0.010 0.000 1.380 153 I CB -0.126 37.878 38.000 0.007 0.000 1.067 153 I HN 0.116 nan 8.210 nan 0.000 0.413 154 A N -0.361 122.465 122.820 0.009 0.000 2.119 154 A HA -0.160 4.160 4.320 0.000 0.000 0.217 154 A C 2.121 179.713 177.584 0.013 0.000 1.153 154 A CA 1.159 53.202 52.037 0.009 0.000 0.692 154 A CB -0.374 18.629 19.000 0.006 0.000 0.799 154 A HN 0.405 nan 8.150 nan 0.000 0.458 155 M N -1.464 118.145 119.600 0.016 0.000 2.394 155 M HA 0.034 4.514 4.480 0.000 0.000 0.266 155 M C 1.839 178.158 176.300 0.030 0.000 1.098 155 M CA 1.651 56.964 55.300 0.022 0.000 1.149 155 M CB -0.037 32.576 32.600 0.021 0.000 1.369 155 M HN 0.224 nan 8.290 nan 0.000 0.450 156 T N -0.777 113.794 114.554 0.028 0.000 2.995 156 T HA -0.067 4.283 4.350 0.000 0.000 0.269 156 T C 1.891 176.607 174.700 0.026 0.000 1.091 156 T CA 1.473 63.593 62.100 0.032 0.000 1.128 156 T CB -0.212 68.670 68.868 0.024 0.000 0.891 156 T HN 0.459 nan 8.240 nan 0.000 0.492 157 S N 0.710 116.422 115.700 0.020 0.000 2.345 157 S HA 0.034 4.504 4.470 0.000 0.000 0.219 157 S C 2.018 176.630 174.600 0.019 0.000 1.031 157 S CA 0.615 58.824 58.200 0.015 0.000 0.984 157 S CB -0.338 62.868 63.200 0.010 0.000 0.874 157 S HN 0.457 nan 8.310 nan 0.000 0.451 158 I N 1.331 121.914 120.570 0.022 0.000 2.226 158 I HA -0.103 4.067 4.170 0.000 0.000 0.245 158 I C 1.126 177.263 176.117 0.034 0.000 1.100 158 I CA 0.651 61.965 61.300 0.023 0.000 1.374 158 I CB -0.960 37.052 38.000 0.020 0.000 1.057 158 I HN 0.269 nan 8.210 nan 0.000 0.413 159 T N 0.452 115.035 114.554 0.048 0.000 2.791 159 T HA 0.226 4.576 4.350 0.000 0.000 0.323 159 T C 1.183 175.918 174.700 0.058 0.000 1.082 159 T CA 0.802 62.947 62.100 0.075 0.000 1.084 159 T CB 0.909 69.846 68.868 0.114 0.000 0.992 159 T HN 0.653 nan 8.240 nan 0.000 0.547 160 G N 1.078 109.917 108.800 0.065 0.000 2.320 160 G HA2 -0.274 3.686 3.960 0.000 0.000 0.242 160 G HA3 -0.274 3.686 3.960 0.000 0.000 0.242 160 G C 0.698 175.615 174.900 0.027 0.000 1.033 160 G CA 0.287 45.406 45.100 0.033 0.000 0.620 160 G HN 0.631 nan 8.290 nan 0.000 0.517 161 K N 1.482 121.901 120.400 0.031 0.000 2.596 161 K HA 0.452 4.772 4.320 0.000 0.000 0.211 161 K C 0.903 177.524 176.600 0.035 0.000 1.046 161 K CA 0.556 56.859 56.287 0.026 0.000 1.202 161 K CB -0.048 32.465 32.500 0.021 0.000 0.925 161 K HN 1.563 nan 8.250 nan 0.000 0.486 162 G N 0.257 109.087 108.800 0.051 0.000 3.055 162 G HA2 -0.165 3.795 3.960 0.000 0.000 0.686 162 G HA3 -0.165 3.795 3.960 0.000 0.000 0.686 162 G C 0.465 175.409 174.900 0.074 0.000 1.087 162 G CA -0.472 44.665 45.100 0.063 0.000 0.779 162 G HN 0.153 nan 8.290 nan 0.000 0.599 163 A N 1.216 124.099 122.820 0.105 0.000 2.070 163 A HA 0.079 4.399 4.320 0.000 0.000 0.220 163 A C 2.115 179.700 177.584 0.001 0.000 1.159 163 A CA 2.126 54.205 52.037 0.071 0.000 0.656 163 A CB -0.141 18.864 19.000 0.009 0.000 0.800 163 A HN 1.360 nan 8.150 nan 0.000 0.453 164 E N 0.459 120.662 120.200 0.004 0.000 2.481 164 E HA -0.061 4.289 4.350 0.000 0.000 0.195 164 E C 1.146 177.746 176.600 -0.000 0.000 1.047 164 E CA 0.815 57.210 56.400 -0.010 0.000 0.867 164 E CB -0.219 29.477 29.700 -0.007 0.000 0.858 164 E HN 0.586 nan 8.360 nan 0.000 0.513 165 K N 0.507 120.914 120.400 0.011 0.000 2.400 165 K HA 0.231 4.551 4.320 0.000 0.000 0.194 165 K C 1.306 177.912 176.600 0.009 0.000 1.033 165 K CA 0.531 56.825 56.287 0.011 0.000 1.021 165 K CB 0.346 32.856 32.500 0.017 0.000 0.808 165 K HN 0.106 nan 8.250 nan 0.000 0.505 166 A N 2.003 124.829 122.820 0.009 0.000 2.190 166 A HA -0.024 4.296 4.320 0.000 0.000 0.226 166 A C 0.119 177.704 177.584 0.000 0.000 1.402 166 A CA 0.100 52.143 52.037 0.010 0.000 1.288 166 A CB -0.591 18.419 19.000 0.016 0.000 0.833 166 A HN -0.026 nan 8.150 nan 0.000 0.564 167 K N 1.006 121.405 120.400 -0.001 0.000 2.466 167 K HA -0.010 4.310 4.320 0.000 0.000 0.278 167 K C 1.079 177.678 176.600 -0.001 0.000 1.048 167 K CA 0.259 56.544 56.287 -0.003 0.000 1.088 167 K CB 0.248 32.747 32.500 -0.001 0.000 0.884 167 K HN 0.415 nan 8.250 nan 0.000 0.478 168 E N 3.566 123.764 120.200 -0.004 0.000 2.058 168 E HA -0.194 4.156 4.350 0.000 0.000 0.194 168 E C 0.488 177.088 176.600 0.000 0.000 0.997 168 E CA 1.437 57.836 56.400 -0.001 0.000 0.801 168 E CB 0.169 29.867 29.700 -0.004 0.000 0.746 168 E HN 0.516 nan 8.360 nan 0.000 0.450 169 K N 0.426 120.825 120.400 -0.000 0.000 2.551 169 K HA -0.047 4.273 4.320 0.000 0.000 0.192 169 K C 1.686 178.287 176.600 0.002 0.000 1.027 169 K CA -0.106 56.182 56.287 0.001 0.000 1.059 169 K CB 0.165 32.666 32.500 0.001 0.000 0.831 169 K HN -0.006 nan 8.250 nan 0.000 0.508 170 L N -0.234 120.990 121.223 0.003 0.000 2.286 170 L HA 0.178 4.518 4.340 0.000 0.000 0.203 170 L C 2.039 178.912 176.870 0.004 0.000 1.068 170 L CA 1.142 55.984 54.840 0.004 0.000 0.811 170 L CB -0.431 41.630 42.059 0.004 0.000 0.989 170 L HN 0.004 nan 8.230 nan 0.000 0.467 171 A N -0.031 122.791 122.820 0.004 0.000 1.865 171 A HA -0.257 4.063 4.320 0.000 0.000 0.217 171 A C 2.086 179.672 177.584 0.003 0.000 1.191 171 A CA 2.099 54.139 52.037 0.005 0.000 0.623 171 A CB -0.779 18.225 19.000 0.007 0.000 0.826 171 A HN 0.615 nan 8.150 nan 0.000 0.444 172 E N -0.280 119.922 120.200 0.002 0.000 2.070 172 E HA -0.209 4.141 4.350 0.000 0.000 0.197 172 E C 1.952 178.552 176.600 0.000 0.000 1.004 172 E CA 1.398 57.798 56.400 0.001 0.000 0.805 172 E CB -0.408 29.293 29.700 0.001 0.000 0.744 172 E HN 0.703 nan 8.360 nan 0.000 0.451 173 I N 0.999 121.569 120.570 0.001 0.000 2.163 173 I HA -0.304 3.866 4.170 0.000 0.000 0.243 173 I C 2.474 178.589 176.117 -0.003 0.000 1.085 173 I CA 1.233 62.532 61.300 -0.000 0.000 1.347 173 I CB -0.365 37.636 38.000 0.002 0.000 1.044 173 I HN 0.129 nan 8.210 nan 0.000 0.408 174 I N 0.051 120.620 120.570 -0.002 0.000 2.142 174 I HA -0.270 3.900 4.170 0.000 0.000 0.240 174 I C 2.587 178.700 176.117 -0.006 0.000 1.078 174 I CA 1.256 62.553 61.300 -0.004 0.000 1.343 174 I CB -0.489 37.511 38.000 -0.002 0.000 1.046 174 I HN 0.005 nan 8.210 nan 0.000 0.405 175 V N 1.100 121.011 119.914 -0.004 0.000 2.231 175 V HA -0.383 3.737 4.120 0.000 0.000 0.250 175 V C 2.563 178.653 176.094 -0.008 0.000 1.058 175 V CA 2.551 64.849 62.300 -0.004 0.000 1.022 175 V CB -0.824 30.998 31.823 -0.002 0.000 0.640 175 V HN 0.546 nan 8.190 nan 0.000 0.445 176 E N 0.451 120.646 120.200 -0.008 0.000 2.097 176 E HA -0.263 4.087 4.350 0.000 0.000 0.196 176 E C 2.035 178.625 176.600 -0.018 0.000 1.000 176 E CA 1.906 58.299 56.400 -0.012 0.000 0.804 176 E CB -0.386 29.309 29.700 -0.009 0.000 0.740 176 E HN 0.576 nan 8.360 nan 0.000 0.454 177 A N 0.009 122.819 122.820 -0.016 0.000 2.016 177 A HA -0.009 4.311 4.320 0.000 0.000 0.217 177 A C 2.299 179.869 177.584 -0.023 0.000 1.162 177 A CA 1.049 53.074 52.037 -0.021 0.000 0.662 177 A CB -0.094 18.896 19.000 -0.016 0.000 0.812 177 A HN 0.235 nan 8.150 nan 0.000 0.450 178 V N -0.493 119.410 119.914 -0.018 0.000 2.649 178 V HA -0.114 4.006 4.120 0.000 0.000 0.248 178 V C 2.596 178.678 176.094 -0.021 0.000 1.054 178 V CA 1.936 64.226 62.300 -0.018 0.000 1.073 178 V CB -0.313 31.503 31.823 -0.012 0.000 0.699 178 V HN 0.520 nan 8.190 nan 0.000 0.463 179 S N 0.599 116.287 115.700 -0.021 0.000 2.402 179 S HA -0.115 4.355 4.470 0.000 0.000 0.229 179 S C 2.235 176.814 174.600 -0.036 0.000 1.021 179 S CA 1.302 59.489 58.200 -0.022 0.000 0.974 179 S CB -0.336 62.853 63.200 -0.018 0.000 0.800 179 S HN 0.635 nan 8.310 nan 0.000 0.484 180 A N 1.410 124.202 122.820 -0.047 0.000 1.877 180 A HA -0.058 4.262 4.320 0.000 0.000 0.216 180 A C 2.190 179.728 177.584 -0.077 0.000 1.186 180 A CA 1.696 53.687 52.037 -0.077 0.000 0.620 180 A CB -0.874 18.079 19.000 -0.077 0.000 0.822 180 A HN 0.616 nan 8.150 nan 0.000 0.443 181 V N -1.799 118.085 119.914 -0.051 0.000 3.636 181 V HA 0.216 4.336 4.120 0.000 0.000 0.279 181 V C 0.518 176.595 176.094 -0.027 0.000 1.263 181 V CA -0.228 62.048 62.300 -0.040 0.000 1.182 181 V CB -1.200 30.604 31.823 -0.032 0.000 0.955 181 V HN 0.101 nan 8.190 nan 0.000 0.443 182 V N 4.041 123.940 119.914 -0.025 0.000 2.485 182 V HA 0.119 4.239 4.120 0.000 0.000 0.287 182 V C 0.519 176.611 176.094 -0.004 0.000 1.022 182 V CA 0.237 62.530 62.300 -0.013 0.000 1.067 182 V CB 0.556 32.373 31.823 -0.009 0.000 0.967 182 V HN 0.810 nan 8.190 nan 0.000 0.479 183 D N 4.637 125.037 120.400 -0.000 0.000 2.494 183 D HA 0.044 4.684 4.640 0.000 0.000 0.217 183 D C -0.288 176.018 176.300 0.010 0.000 1.153 183 D CA -0.623 53.382 54.000 0.007 0.000 0.954 183 D CB 0.447 41.250 40.800 0.004 0.000 1.034 183 D HN 0.420 nan 8.370 nan 0.000 0.518 184 D N 2.845 123.254 120.400 0.016 0.000 2.451 184 D HA 0.035 4.675 4.640 0.000 0.000 0.254 184 D C 0.418 176.727 176.300 0.014 0.000 1.204 184 D CA 0.559 54.569 54.000 0.017 0.000 0.896 184 D CB 0.692 41.507 40.800 0.024 0.000 1.136 184 D HN 0.540 nan 8.370 nan 0.000 0.499 185 E N 0.467 120.673 120.200 0.010 0.000 2.244 185 E HA 0.673 5.023 4.350 0.000 0.000 0.266 185 E C 0.345 176.948 176.600 0.005 0.000 0.914 185 E CA -1.333 55.071 56.400 0.008 0.000 0.794 185 E CB 2.048 31.752 29.700 0.007 0.000 1.210 185 E HN 0.412 nan 8.360 nan 0.000 0.414 186 G N 1.804 110.607 108.800 0.004 0.000 5.253 186 G HA2 0.077 4.037 3.960 0.000 0.000 0.238 186 G HA3 0.077 4.037 3.960 0.000 0.000 0.238 186 G C -0.279 174.622 174.900 0.001 0.000 0.867 186 G CA -0.417 44.686 45.100 0.004 0.000 0.717 186 G HN 0.061 nan 8.290 nan 0.000 0.405 187 K N 0.225 120.625 120.400 0.001 0.000 2.139 187 K HA 0.701 5.021 4.320 0.000 0.000 0.243 187 K C -0.504 176.094 176.600 -0.003 0.000 0.983 187 K CA -0.905 55.382 56.287 -0.001 0.000 0.890 187 K CB 2.397 34.896 32.500 -0.001 0.000 1.090 187 K HN -0.069 nan 8.250 nan 0.000 0.445 188 V N 1.421 121.332 119.914 -0.005 0.000 2.347 188 V HA 0.071 4.191 4.120 0.000 0.000 0.280 188 V C -0.347 175.743 176.094 -0.008 0.000 1.021 188 V CA -0.834 61.462 62.300 -0.007 0.000 0.847 188 V CB 1.259 33.078 31.823 -0.008 0.000 0.990 188 V HN 0.591 nan 8.190 nan 0.000 0.444 189 D N 3.859 124.253 120.400 -0.009 0.000 2.374 189 D HA 0.198 4.838 4.640 0.000 0.000 0.240 189 D C 1.042 177.335 176.300 -0.012 0.000 1.229 189 D CA -0.233 53.761 54.000 -0.010 0.000 0.895 189 D CB 1.198 41.991 40.800 -0.011 0.000 1.046 189 D HN 0.368 nan 8.370 nan 0.000 0.498 190 K N 1.434 121.827 120.400 -0.011 0.000 2.442 190 K HA -0.090 4.230 4.320 0.000 0.000 0.199 190 K C 0.614 177.205 176.600 -0.014 0.000 1.044 190 K CA 0.889 57.169 56.287 -0.012 0.000 0.941 190 K CB 0.251 32.745 32.500 -0.009 0.000 0.759 190 K HN 0.379 nan 8.250 nan 0.000 0.472 191 D N -0.539 119.852 120.400 -0.015 0.000 2.349 191 D HA 0.056 4.696 4.640 0.000 0.000 0.214 191 D C 1.114 177.401 176.300 -0.023 0.000 1.063 191 D CA 0.318 54.307 54.000 -0.018 0.000 0.847 191 D CB 0.323 41.113 40.800 -0.016 0.000 0.933 191 D HN 0.164 nan 8.370 nan 0.000 0.513 192 L N 0.212 121.422 121.223 -0.022 0.000 2.509 192 L HA 0.187 4.527 4.340 0.000 0.000 0.222 192 L C 0.724 177.576 176.870 -0.031 0.000 1.123 192 L CA 0.354 55.179 54.840 -0.026 0.000 0.856 192 L CB 0.291 42.336 42.059 -0.024 0.000 0.985 192 L HN -0.148 nan 8.230 nan 0.000 0.456 193 I N 1.044 121.597 120.570 -0.028 0.000 2.282 193 I HA 0.095 4.265 4.170 0.000 0.000 0.290 193 I C 0.384 176.482 176.117 -0.031 0.000 1.090 193 I CA -0.166 61.117 61.300 -0.029 0.000 1.231 193 I CB 0.649 38.635 38.000 -0.024 0.000 1.434 193 I HN 0.006 nan 8.210 nan 0.000 0.487 194 K N 7.223 127.599 120.400 -0.039 0.000 2.322 194 K HA 0.415 4.735 4.320 0.000 0.000 0.283 194 K C -0.675 175.900 176.600 -0.042 0.000 1.042 194 K CA -0.236 56.024 56.287 -0.045 0.000 0.958 194 K CB 0.809 33.273 32.500 -0.060 0.000 0.984 194 K HN 0.573 nan 8.250 nan 0.000 0.473 195 I N 3.938 124.485 120.570 -0.037 0.000 2.355 195 I HA 0.166 4.336 4.170 0.000 0.000 0.288 195 I C -0.513 175.581 176.117 -0.038 0.000 0.999 195 I CA -0.721 60.559 61.300 -0.032 0.000 1.163 195 I CB 1.675 39.661 38.000 -0.022 0.000 1.316 195 I HN 0.652 nan 8.210 nan 0.000 0.454 196 E N 6.723 126.897 120.200 -0.043 0.000 2.212 196 E HA 0.441 4.791 4.350 0.000 0.000 0.268 196 E C -1.282 175.298 176.600 -0.033 0.000 0.902 196 E CA -0.699 55.671 56.400 -0.049 0.000 0.779 196 E CB 1.486 31.139 29.700 -0.078 0.000 1.172 196 E HN 0.312 nan 8.360 nan 0.000 0.409 197 K N 3.990 124.372 120.400 -0.030 0.000 2.394 197 K HA 0.526 4.846 4.320 0.000 0.000 0.260 197 K C -0.776 175.814 176.600 -0.017 0.000 0.967 197 K CA -1.042 55.233 56.287 -0.020 0.000 0.855 197 K CB 1.550 34.037 32.500 -0.022 0.000 1.101 197 K HN 0.178 nan 8.250 nan 0.000 0.433 198 K N 1.558 121.956 120.400 -0.004 0.000 2.513 198 K HA 0.152 4.472 4.320 0.000 0.000 0.251 198 K C 0.791 177.398 176.600 0.011 0.000 0.939 198 K CA -0.401 55.890 56.287 0.006 0.000 0.793 198 K CB 2.073 34.589 32.500 0.026 0.000 1.241 198 K HN 0.718 nan 8.250 nan 0.000 0.431 199 S N 1.852 117.555 115.700 0.005 0.000 2.523 199 S HA -0.122 4.348 4.470 0.000 0.000 0.226 199 S C 1.037 175.643 174.600 0.010 0.000 1.062 199 S CA 1.131 59.332 58.200 0.002 0.000 1.207 199 S CB -0.995 62.203 63.200 -0.003 0.000 1.151 199 S HN 1.131 nan 8.310 nan 0.000 0.408 200 G N 0.794 109.602 108.800 0.013 0.000 2.915 200 G HA2 0.215 4.175 3.960 0.000 0.000 0.337 200 G HA3 0.215 4.175 3.960 0.000 0.000 0.337 200 G C 0.074 174.979 174.900 0.010 0.000 1.477 200 G CA -0.051 45.057 45.100 0.014 0.000 0.916 200 G HN 1.773 nan 8.290 nan 0.000 0.550 201 A N 0.243 123.068 122.820 0.008 0.000 3.215 201 A HA 0.739 5.059 4.320 0.000 0.000 0.269 201 A C 1.132 178.720 177.584 0.007 0.000 1.517 201 A CA 1.299 53.340 52.037 0.006 0.000 1.221 201 A CB -0.104 18.899 19.000 0.005 0.000 1.160 201 A HN 1.976 nan 8.150 nan 0.000 0.620 202 S N 0.213 115.917 115.700 0.008 0.000 3.128 202 S HA 0.284 4.754 4.470 0.000 0.000 0.171 202 S C 1.464 176.068 174.600 0.008 0.000 0.707 202 S CA 0.815 59.020 58.200 0.009 0.000 0.851 202 S CB -0.418 62.789 63.200 0.012 0.000 0.872 202 S HN 0.756 nan 8.310 nan 0.000 0.724 203 I N 1.271 121.846 120.570 0.009 0.000 3.986 203 I HA -0.418 3.752 4.170 0.000 0.000 0.129 203 I C 1.006 177.127 176.117 0.007 0.000 0.493 203 I CA 2.195 63.500 61.300 0.008 0.000 1.177 203 I CB -1.194 36.810 38.000 0.008 0.000 1.035 203 I HN 0.439 nan 8.210 nan 0.000 0.211 204 D N 0.628 121.032 120.400 0.006 0.000 2.277 204 D HA -0.069 4.571 4.640 0.000 0.000 0.208 204 D C 1.391 177.695 176.300 0.008 0.000 0.962 204 D CA 0.978 54.981 54.000 0.005 0.000 0.865 204 D CB -0.180 40.622 40.800 0.003 0.000 0.939 204 D HN 0.448 nan 8.370 nan 0.000 0.510 205 D N -0.045 120.361 120.400 0.010 0.000 2.363 205 D HA -0.042 4.598 4.640 0.000 0.000 0.226 205 D C 0.489 176.800 176.300 0.019 0.000 1.020 205 D CA 0.315 54.323 54.000 0.014 0.000 0.892 205 D CB -0.334 40.475 40.800 0.015 0.000 0.900 205 D HN 0.215 nan 8.370 nan 0.000 0.531 206 T N -0.009 114.554 114.554 0.016 0.000 2.928 206 T HA 0.214 4.564 4.350 0.000 0.000 0.305 206 T C 0.156 174.867 174.700 0.018 0.000 1.035 206 T CA -0.403 61.708 62.100 0.017 0.000 1.145 206 T CB 1.000 69.874 68.868 0.012 0.000 0.963 206 T HN 0.241 nan 8.240 nan 0.000 0.545 207 E N 2.103 122.317 120.200 0.023 0.000 2.429 207 E HA 0.555 4.905 4.350 0.000 0.000 0.276 207 E C -1.479 175.134 176.600 0.021 0.000 0.953 207 E CA -1.368 55.046 56.400 0.023 0.000 0.787 207 E CB 1.278 30.998 29.700 0.034 0.000 1.307 207 E HN 0.470 nan 8.360 nan 0.000 0.458 208 L N 1.995 123.228 121.223 0.017 0.000 2.290 208 L HA 0.424 4.764 4.340 0.000 0.000 0.284 208 L C -0.924 175.959 176.870 0.022 0.000 1.078 208 L CA -0.257 54.590 54.840 0.012 0.000 0.815 208 L CB 0.559 42.620 42.059 0.004 0.000 1.162 208 L HN 0.580 nan 8.230 nan 0.000 0.435 209 I N 5.676 126.258 120.570 0.020 0.000 2.354 209 I HA 0.233 4.403 4.170 0.000 0.000 0.286 209 I C 0.143 176.265 176.117 0.010 0.000 1.007 209 I CA -0.592 60.727 61.300 0.031 0.000 1.167 209 I CB 0.853 38.879 38.000 0.043 0.000 1.320 209 I HN 0.528 nan 8.210 nan 0.000 0.458 210 K N 5.841 126.248 120.400 0.012 0.000 2.155 210 K HA 0.419 4.739 4.320 0.000 0.000 0.240 210 K C 0.389 176.989 176.600 0.001 0.000 1.193 210 K CA -0.196 56.090 56.287 -0.003 0.000 1.104 210 K CB 0.354 32.852 32.500 -0.004 0.000 1.558 210 K HN 0.900 nan 8.250 nan 0.000 0.313 211 G N -0.377 108.416 108.800 -0.012 0.000 2.498 211 G HA2 0.197 4.157 3.960 0.000 0.000 0.181 211 G HA3 0.197 4.157 3.960 0.000 0.000 0.181 211 G C -1.565 173.304 174.900 -0.051 0.000 1.169 211 G CA -0.647 44.442 45.100 -0.019 0.000 0.992 211 G HN 0.110 nan 8.290 nan 0.000 0.490 212 V N 0.277 120.147 119.914 -0.073 0.000 2.841 212 V HA 0.704 4.824 4.120 0.000 0.000 0.310 212 V C -1.036 174.957 176.094 -0.167 0.000 1.090 212 V CA -0.662 61.563 62.300 -0.125 0.000 0.930 212 V CB 1.855 33.580 31.823 -0.163 0.000 1.014 212 V HN 0.699 nan 8.190 nan 0.000 0.425 213 L N 4.104 125.200 121.223 -0.213 0.000 2.272 213 L HA 0.669 5.009 4.340 0.000 0.000 0.289 213 L C -0.440 176.286 176.870 -0.240 0.000 1.032 213 L CA 0.076 54.724 54.840 -0.320 0.000 0.810 213 L CB 1.645 43.471 42.059 -0.388 0.000 1.205 213 L HN 0.544 nan 8.230 nan 0.000 0.422 214 V N 3.006 122.795 119.914 -0.208 0.000 2.417 214 V HA 0.283 4.404 4.120 0.000 0.000 0.291 214 V C -0.147 175.905 176.094 -0.069 0.000 1.024 214 V CA -0.725 61.500 62.300 -0.126 0.000 0.861 214 V CB 1.533 33.296 31.823 -0.100 0.000 0.985 214 V HN 0.587 nan 8.190 nan 0.000 0.436 215 D N 4.126 124.493 120.400 -0.055 0.000 3.032 215 D HA 0.204 4.844 4.640 0.000 0.000 0.241 215 D C 0.317 176.625 176.300 0.012 0.000 1.196 215 D CA 0.279 54.263 54.000 -0.026 0.000 0.927 215 D CB 0.009 40.790 40.800 -0.032 0.000 1.129 215 D HN 0.383 nan 8.370 nan 0.000 0.458 216 K N 0.304 120.730 120.400 0.044 0.000 2.263 216 K HA 0.522 4.842 4.320 0.000 0.000 0.249 216 K C -0.163 176.485 176.600 0.080 0.000 1.076 216 K CA -0.751 55.576 56.287 0.067 0.000 0.884 216 K CB 1.473 34.033 32.500 0.100 0.000 1.394 216 K HN 0.234 nan 8.250 nan 0.000 0.476 217 E N -0.078 120.164 120.200 0.070 0.000 2.356 217 E HA 0.416 4.766 4.350 0.000 0.000 0.275 217 E C -1.086 175.537 176.600 0.039 0.000 0.904 217 E CA -1.234 55.203 56.400 0.062 0.000 0.757 217 E CB 1.347 31.076 29.700 0.049 0.000 1.232 217 E HN 0.381 nan 8.360 nan 0.000 0.442 218 R N 0.707 121.222 120.500 0.025 0.000 2.481 218 R HA -0.046 4.294 4.340 0.000 0.000 0.291 218 R C 0.679 176.977 176.300 -0.004 0.000 0.934 218 R CA 0.047 56.142 56.100 -0.007 0.000 1.116 218 R CB -0.048 30.245 30.300 -0.012 0.000 0.895 218 R HN 0.481 nan 8.270 nan 0.000 0.410 219 V N 1.720 121.626 119.914 -0.013 0.000 2.626 219 V HA -0.126 3.994 4.120 0.000 0.000 0.252 219 V C 0.492 176.583 176.094 -0.005 0.000 1.067 219 V CA 2.119 64.416 62.300 -0.005 0.000 1.081 219 V CB 0.182 32.001 31.823 -0.008 0.000 0.686 219 V HN 0.836 nan 8.190 nan 0.000 0.468 220 S N -1.415 114.279 115.700 -0.010 0.000 2.478 220 S HA 0.659 5.129 4.470 0.000 0.000 0.312 220 S C 0.858 175.456 174.600 -0.004 0.000 1.094 220 S CA -0.157 58.040 58.200 -0.005 0.000 1.081 220 S CB 1.674 64.871 63.200 -0.005 0.000 1.007 220 S HN 0.540 nan 8.310 nan 0.000 0.475 221 A N 3.594 126.415 122.820 0.001 0.000 2.121 221 A HA -0.058 4.262 4.320 0.000 0.000 0.218 221 A C 1.838 179.423 177.584 0.001 0.000 1.154 221 A CA 1.203 53.242 52.037 0.002 0.000 0.679 221 A CB -0.422 18.581 19.000 0.003 0.000 0.795 221 A HN 0.873 nan 8.150 nan 0.000 0.458 222 Q N -0.944 118.858 119.800 0.003 0.000 2.435 222 Q HA 0.094 4.434 4.340 0.000 0.000 0.207 222 Q C 0.465 176.462 176.000 -0.006 0.000 0.956 222 Q CA -0.060 55.745 55.803 0.003 0.000 0.917 222 Q CB -0.104 28.643 28.738 0.014 0.000 0.997 222 Q HN 0.705 nan 8.270 nan 0.000 0.497 223 M N 1.626 121.218 119.600 -0.012 0.000 2.198 223 M HA 0.168 4.648 4.480 0.000 0.000 0.315 223 M C -2.037 174.253 176.300 -0.016 0.000 1.134 223 M CA -1.727 53.561 55.300 -0.021 0.000 1.171 223 M CB 0.065 32.646 32.600 -0.031 0.000 1.413 223 M HN -0.102 nan 8.290 nan 0.000 0.467 224 P HA 0.011 nan 4.420 nan 0.000 0.267 224 P C -0.625 176.669 177.300 -0.010 0.000 1.200 224 P CA 0.289 63.380 63.100 -0.014 0.000 0.772 224 P CB 0.426 32.116 31.700 -0.016 0.000 0.855 225 K N 1.077 121.475 120.400 -0.004 0.000 2.438 225 K HA 0.181 4.501 4.320 0.000 0.000 0.205 225 K C -0.042 176.562 176.600 0.005 0.000 1.033 225 K CA -0.040 56.249 56.287 0.003 0.000 1.089 225 K CB 0.236 32.738 32.500 0.004 0.000 0.857 225 K HN 0.245 nan 8.250 nan 0.000 0.522 226 K N 0.355 120.756 120.400 0.002 0.000 2.557 226 K HA 0.301 4.621 4.320 0.000 0.000 0.257 226 K C -1.912 174.692 176.600 0.006 0.000 0.933 226 K CA -0.767 55.524 56.287 0.006 0.000 0.820 226 K CB 2.121 34.619 32.500 -0.003 0.000 1.330 226 K HN -0.140 nan 8.250 nan 0.000 0.432 227 V N 2.251 122.173 119.914 0.014 0.000 2.760 227 V HA 0.496 4.616 4.120 0.000 0.000 0.309 227 V C -0.527 175.579 176.094 0.021 0.000 1.077 227 V CA -0.761 61.547 62.300 0.013 0.000 0.910 227 V CB 1.989 33.819 31.823 0.012 0.000 1.008 227 V HN 0.969 nan 8.190 nan 0.000 0.424 228 T N -0.677 113.887 114.554 0.017 0.000 2.918 228 T HA 0.520 4.870 4.350 0.000 0.000 0.286 228 T C -0.151 174.562 174.700 0.022 0.000 1.026 228 T CA -0.515 61.597 62.100 0.020 0.000 1.031 228 T CB 1.444 70.320 68.868 0.014 0.000 1.046 228 T HN 0.715 nan 8.240 nan 0.000 0.479 229 D N -0.189 120.227 120.400 0.026 0.000 2.737 229 D HA -0.169 4.471 4.640 0.000 0.000 0.233 229 D C 0.579 176.896 176.300 0.028 0.000 1.155 229 D CA 1.024 55.040 54.000 0.027 0.000 0.667 229 D CB -1.445 39.367 40.800 0.020 0.000 1.060 229 D HN 1.052 nan 8.370 nan 0.000 0.427 230 A N 0.254 123.095 122.820 0.036 0.000 2.406 230 A HA 0.262 4.582 4.320 0.000 0.000 0.243 230 A C 0.791 178.400 177.584 0.041 0.000 1.082 230 A CA 0.292 52.351 52.037 0.036 0.000 0.786 230 A CB 0.784 19.811 19.000 0.045 0.000 1.029 230 A HN 0.083 nan 8.150 nan 0.000 0.495 231 K N 1.532 121.952 120.400 0.034 0.000 2.339 231 K HA 0.465 4.785 4.320 0.000 0.000 0.264 231 K C -1.264 175.363 176.600 0.045 0.000 0.986 231 K CA -0.047 56.262 56.287 0.037 0.000 0.866 231 K CB 1.281 33.796 32.500 0.025 0.000 1.103 231 K HN 0.621 nan 8.250 nan 0.000 0.441 232 I N 2.405 123.017 120.570 0.070 0.000 2.321 232 I HA 0.257 4.427 4.170 0.000 0.000 0.291 232 I C 0.080 176.255 176.117 0.096 0.000 0.998 232 I CA -0.661 60.703 61.300 0.106 0.000 1.227 232 I CB 1.691 39.804 38.000 0.187 0.000 1.368 232 I HN 0.499 nan 8.210 nan 0.000 0.466 233 A N 7.706 130.575 122.820 0.082 0.000 2.256 233 A HA 0.685 5.005 4.320 0.000 0.000 0.317 233 A C -0.771 176.876 177.584 0.106 0.000 1.318 233 A CA -0.460 51.619 52.037 0.070 0.000 0.894 233 A CB 0.323 19.344 19.000 0.035 0.000 1.165 233 A HN 0.576 nan 8.150 nan 0.000 0.525 234 L N 3.084 124.373 121.223 0.110 0.000 2.260 234 L HA 0.356 4.696 4.340 0.000 0.000 0.289 234 L C -0.163 176.755 176.870 0.080 0.000 1.057 234 L CA 0.398 55.313 54.840 0.124 0.000 0.811 234 L CB 1.033 43.151 42.059 0.098 0.000 1.184 234 L HN 0.622 nan 8.230 nan 0.000 0.429 235 L N 3.814 125.085 121.223 0.081 0.000 2.262 235 L HA 0.334 4.674 4.340 0.000 0.000 0.288 235 L C 1.044 177.943 176.870 0.048 0.000 1.035 235 L CA -0.356 54.516 54.840 0.054 0.000 0.820 235 L CB 1.110 43.195 42.059 0.043 0.000 1.204 235 L HN 0.601 nan 8.230 nan 0.000 0.424 236 N N 1.501 120.223 118.700 0.036 0.000 2.521 236 N HA -0.046 4.694 4.740 0.000 0.000 0.188 236 N C 0.274 175.799 175.510 0.025 0.000 1.146 236 N CA 0.095 53.162 53.050 0.029 0.000 0.893 236 N CB 0.108 38.608 38.487 0.022 0.000 0.975 236 N HN 0.517 nan 8.380 nan 0.000 0.451 237 C N -0.150 119.165 119.300 0.026 0.000 2.411 237 C HA 0.785 5.245 4.460 0.000 0.000 0.358 237 C C 0.026 175.030 174.990 0.024 0.000 1.349 237 C CA -0.627 58.404 59.018 0.022 0.000 2.326 237 C CB 0.330 28.082 27.740 0.021 0.000 2.166 237 C HN 0.419 nan 8.230 nan 0.000 0.609 238 A N 2.467 125.301 122.820 0.022 0.000 2.285 238 A HA 0.636 4.956 4.320 0.000 0.000 0.310 238 A C -0.458 177.140 177.584 0.024 0.000 1.266 238 A CA -0.370 51.681 52.037 0.023 0.000 0.832 238 A CB 0.120 19.132 19.000 0.020 0.000 1.163 238 A HN 0.752 nan 8.150 nan 0.000 0.499 239 I N 2.816 123.402 120.570 0.026 0.000 2.357 239 I HA 0.082 4.252 4.170 0.000 0.000 0.300 239 I C 0.547 176.685 176.117 0.034 0.000 1.159 239 I CA -0.070 61.248 61.300 0.031 0.000 1.339 239 I CB -0.153 37.867 38.000 0.033 0.000 1.458 239 I HN 0.606 nan 8.210 nan 0.000 0.577 264 T N -4.373 110.206 114.554 0.043 0.000 3.442 264 T HA 0.695 5.045 4.350 0.000 0.000 0.135 264 T C 1.008 175.725 174.700 0.028 0.000 0.806 264 T CA 1.836 63.955 62.100 0.031 0.000 0.810 264 T CB 0.306 69.192 68.868 0.029 0.000 1.131 264 T HN 2.169 nan 8.240 nan 0.000 0.264 265 A N -0.008 122.833 122.820 0.035 0.000 2.441 265 A HA 0.685 5.005 4.320 0.000 0.000 0.209 265 A C 0.463 178.071 177.584 0.040 0.000 1.645 265 A CA 0.565 52.620 52.037 0.030 0.000 1.362 265 A CB -0.125 18.884 19.000 0.016 0.000 1.035 265 A HN 0.665 nan 8.150 nan 0.000 0.487 266 S N 1.375 117.108 115.700 0.055 0.000 2.949 266 S HA 0.287 4.757 4.470 0.000 0.000 0.246 266 S C 0.358 175.001 174.600 0.073 0.000 0.899 266 S CA 0.776 59.009 58.200 0.055 0.000 1.091 266 S CB -0.593 62.628 63.200 0.035 0.000 1.199 266 S HN 1.199 nan 8.310 nan 0.000 0.507 267 E N 0.307 120.585 120.200 0.130 0.000 2.202 267 E HA -0.257 4.093 4.350 0.000 0.000 0.214 267 E C 0.170 176.802 176.600 0.054 0.000 1.303 267 E CA 0.878 57.373 56.400 0.160 0.000 0.714 267 E CB -2.014 27.768 29.700 0.137 0.000 1.130 267 E HN 0.681 nan 8.360 nan 0.000 0.356 268 M N 0.304 119.939 119.600 0.059 0.000 2.747 268 M HA 0.008 4.488 4.480 0.000 0.000 0.221 268 M C 0.484 176.799 176.300 0.025 0.000 1.107 268 M CA 0.464 55.780 55.300 0.028 0.000 1.031 268 M CB 0.196 32.814 32.600 0.030 0.000 1.727 268 M HN 0.319 nan 8.290 nan 0.000 0.517 269 L N -1.692 119.552 121.223 0.035 0.000 2.993 269 L HA 0.169 4.510 4.340 0.000 0.000 0.264 269 L C 1.544 178.365 176.870 -0.081 0.000 1.154 269 L CA 0.647 55.523 54.840 0.060 0.000 0.972 269 L CB -0.559 41.630 42.059 0.217 0.000 1.373 269 L HN 0.172 nan 8.230 nan 0.000 0.564 270 K N 0.367 120.584 120.400 -0.306 0.000 2.283 270 K HA -0.118 4.202 4.320 0.000 0.000 0.202 270 K C 1.226 177.711 176.600 -0.191 0.000 1.048 270 K CA 1.025 57.057 56.287 -0.426 0.000 0.948 270 K CB 0.240 32.444 32.500 -0.493 0.000 0.742 270 K HN 0.239 nan 8.250 nan 0.000 0.458 271 D N 1.111 121.442 120.400 -0.116 0.000 2.077 271 D HA -0.150 4.490 4.640 0.000 0.000 0.197 271 D C 1.822 178.096 176.300 -0.043 0.000 0.983 271 D CA 1.404 55.365 54.000 -0.064 0.000 0.841 271 D CB -0.272 40.504 40.800 -0.039 0.000 0.992 271 D HN 0.082 nan 8.370 nan 0.000 0.450 272 M N 0.325 119.912 119.600 -0.023 0.000 2.144 272 M HA -0.146 4.334 4.480 0.000 0.000 0.260 272 M C 2.179 178.477 176.300 -0.004 0.000 1.067 272 M CA 0.956 56.254 55.300 -0.003 0.000 1.095 272 M CB -0.082 32.528 32.600 0.017 0.000 1.365 272 M HN -0.103 nan 8.290 nan 0.000 0.406 273 V N -0.522 119.385 119.914 -0.012 0.000 2.719 273 V HA -0.092 4.028 4.120 0.000 0.000 0.252 273 V C 2.218 178.295 176.094 -0.029 0.000 1.065 273 V CA 1.665 63.963 62.300 -0.003 0.000 1.086 273 V CB -0.748 31.092 31.823 0.029 0.000 0.700 273 V HN 0.504 nan 8.190 nan 0.000 0.467 274 A N -0.768 122.021 122.820 -0.052 0.000 2.220 274 A HA 0.087 4.407 4.320 0.000 0.000 0.211 274 A C 1.961 179.526 177.584 -0.032 0.000 1.176 274 A CA 0.255 52.263 52.037 -0.048 0.000 0.834 274 A CB -0.111 18.848 19.000 -0.069 0.000 0.868 274 A HN 0.533 nan 8.150 nan 0.000 0.488 275 E N -0.108 120.076 120.200 -0.026 0.000 2.216 275 E HA -0.019 4.331 4.350 0.000 0.000 0.192 275 E C 1.391 177.985 176.600 -0.010 0.000 0.988 275 E CA 0.770 57.160 56.400 -0.016 0.000 0.834 275 E CB -0.094 29.598 29.700 -0.012 0.000 0.772 275 E HN 0.697 nan 8.360 nan 0.000 0.479 276 I N 0.902 121.466 120.570 -0.009 0.000 2.480 276 I HA -0.150 4.020 4.170 0.000 0.000 0.251 276 I C 2.421 178.533 176.117 -0.009 0.000 1.124 276 I CA 0.714 62.011 61.300 -0.006 0.000 1.444 276 I CB -0.010 37.988 38.000 -0.004 0.000 1.098 276 I HN -0.077 nan 8.210 nan 0.000 0.428 277 K N 1.531 121.923 120.400 -0.013 0.000 2.439 277 K HA -0.028 4.292 4.320 0.000 0.000 0.197 277 K C 2.000 178.592 176.600 -0.013 0.000 1.041 277 K CA 0.834 57.112 56.287 -0.015 0.000 0.970 277 K CB 0.122 32.611 32.500 -0.019 0.000 0.773 277 K HN 0.280 nan 8.250 nan 0.000 0.479 278 A N 0.739 123.551 122.820 -0.012 0.000 1.968 278 A HA -0.099 4.221 4.320 0.000 0.000 0.217 278 A C 1.964 179.544 177.584 -0.006 0.000 1.169 278 A CA 1.713 53.744 52.037 -0.010 0.000 0.638 278 A CB -0.306 18.687 19.000 -0.011 0.000 0.812 278 A HN 0.443 nan 8.150 nan 0.000 0.446 279 S N -2.124 113.574 115.700 -0.003 0.000 2.496 279 S HA 0.372 4.842 4.470 0.000 0.000 0.224 279 S C 1.359 175.960 174.600 0.002 0.000 0.996 279 S CA 0.997 59.197 58.200 0.001 0.000 0.927 279 S CB -0.106 63.097 63.200 0.004 0.000 0.774 279 S HN 1.863 nan 8.310 nan 0.000 0.524 280 G N 0.664 109.463 108.800 -0.001 0.000 2.131 280 G HA2 0.029 3.989 3.960 0.000 0.000 0.201 280 G HA3 0.029 3.989 3.960 0.000 0.000 0.201 280 G C 0.029 174.930 174.900 0.001 0.000 1.000 280 G CA -0.298 44.802 45.100 -0.000 0.000 0.680 280 G HN 1.190 nan 8.290 nan 0.000 0.514 281 A N 0.561 123.381 122.820 -0.000 0.000 2.269 281 A HA 0.636 4.956 4.320 0.000 0.000 0.302 281 A C 0.998 178.575 177.584 -0.012 0.000 1.266 281 A CA 0.267 52.304 52.037 0.000 0.000 0.894 281 A CB 0.238 19.241 19.000 0.004 0.000 1.147 281 A HN 0.895 nan 8.150 nan 0.000 0.537 282 N N 1.686 120.379 118.700 -0.012 0.000 2.268 282 N HA 0.178 4.918 4.740 0.000 0.000 0.204 282 N C -0.581 174.903 175.510 -0.044 0.000 1.124 282 N CA 0.027 53.063 53.050 -0.023 0.000 0.838 282 N CB 0.432 38.912 38.487 -0.013 0.000 0.994 282 N HN 0.211 nan 8.380 nan 0.000 0.489 283 V N 0.598 120.479 119.914 -0.055 0.000 2.891 283 V HA 0.484 4.604 4.120 0.000 0.000 0.304 283 V C -1.653 174.352 176.094 -0.149 0.000 1.171 283 V CA -1.019 61.206 62.300 -0.127 0.000 0.943 283 V CB 2.360 34.131 31.823 -0.087 0.000 1.037 283 V HN 0.160 nan 8.190 nan 0.000 0.427 284 L N 4.562 125.609 121.223 -0.294 0.000 2.476 284 L HA 0.734 5.075 4.340 0.000 0.000 0.269 284 L C -1.882 174.774 176.870 -0.357 0.000 0.965 284 L CA 0.093 54.809 54.840 -0.205 0.000 0.845 284 L CB 1.706 43.704 42.059 -0.103 0.000 1.259 284 L HN 0.472 nan 8.230 nan 0.000 0.403 285 F N 4.808 124.764 119.950 0.011 0.000 2.375 285 F HA 0.501 5.028 4.527 0.000 0.000 0.361 285 F C 0.166 175.971 175.800 0.008 0.000 1.117 285 F CA -0.337 57.669 58.000 0.009 0.000 1.037 285 F CB 1.431 40.435 39.000 0.007 0.000 1.192 285 F HN 0.489 nan 8.300 nan 0.000 0.452 286 C N 4.197 123.585 119.300 0.146 0.000 2.329 286 C HA 0.223 4.683 4.460 0.000 0.000 0.329 286 C C 1.584 176.627 174.990 0.089 0.000 1.275 286 C CA -0.345 58.728 59.018 0.092 0.000 1.726 286 C CB 0.871 28.641 27.740 0.050 0.000 2.291 286 C HN 1.039 nan 8.230 nan 0.000 0.514 287 Q N 3.160 123.000 119.800 0.067 0.000 2.187 287 Q HA 0.007 4.347 4.340 0.000 0.000 0.199 287 Q C 0.967 176.989 176.000 0.037 0.000 0.957 287 Q CA 1.111 56.944 55.803 0.049 0.000 0.857 287 Q CB 0.226 28.985 28.738 0.035 0.000 0.929 287 Q HN 0.632 nan 8.270 nan 0.000 0.453 288 K N 0.004 120.424 120.400 0.034 0.000 2.836 288 K HA 0.372 4.693 4.320 0.000 0.000 0.300 288 K C 0.199 176.815 176.600 0.027 0.000 1.004 288 K CA 0.030 56.333 56.287 0.027 0.000 1.140 288 K CB -0.585 31.928 32.500 0.023 0.000 1.458 288 K HN 0.153 nan 8.250 nan 0.000 0.550 289 G N 0.350 109.163 108.800 0.023 0.000 2.400 289 G HA2 0.541 4.501 3.960 0.000 0.000 0.301 289 G HA3 0.541 4.501 3.960 0.000 0.000 0.301 289 G C -0.484 174.429 174.900 0.022 0.000 1.154 289 G CA -0.600 44.512 45.100 0.021 0.000 0.852 289 G HN 0.299 nan 8.290 nan 0.000 0.511 290 I N 2.000 122.582 120.570 0.019 0.000 2.390 290 I HA 0.133 4.303 4.170 0.000 0.000 0.283 290 I C 0.001 176.129 176.117 0.017 0.000 1.016 290 I CA -0.701 60.610 61.300 0.020 0.000 1.151 290 I CB 1.361 39.370 38.000 0.015 0.000 1.293 290 I HN 0.424 nan 8.210 nan 0.000 0.458 291 D N 4.415 124.828 120.400 0.021 0.000 2.364 291 D HA -0.082 4.558 4.640 0.000 0.000 0.236 291 D C 0.587 176.891 176.300 0.007 0.000 1.221 291 D CA 0.330 54.340 54.000 0.017 0.000 0.891 291 D CB 1.166 41.981 40.800 0.025 0.000 1.190 291 D HN 0.471 nan 8.370 nan 0.000 0.449 292 D N 1.447 121.843 120.400 -0.006 0.000 2.264 292 D HA -0.061 4.579 4.640 0.000 0.000 0.208 292 D C 1.803 178.071 176.300 -0.054 0.000 0.966 292 D CA 0.377 54.362 54.000 -0.025 0.000 0.864 292 D CB 0.159 40.941 40.800 -0.030 0.000 0.933 292 D HN 0.349 nan 8.370 nan 0.000 0.499 293 L N 0.211 121.404 121.223 -0.050 0.000 2.095 293 L HA 0.012 4.352 4.340 0.000 0.000 0.204 293 L C 1.987 178.774 176.870 -0.138 0.000 1.080 293 L CA 0.741 55.506 54.840 -0.125 0.000 0.759 293 L CB -0.091 41.963 42.059 -0.009 0.000 0.914 293 L HN -0.052 nan 8.230 nan 0.000 0.439 294 A N -1.321 121.526 122.820 0.046 0.000 2.259 294 A HA -0.051 4.269 4.320 0.000 0.000 0.208 294 A C 1.885 179.501 177.584 0.052 0.000 1.201 294 A CA 0.372 52.488 52.037 0.131 0.000 0.824 294 A CB -0.156 18.920 19.000 0.128 0.000 0.838 294 A HN 0.467 nan 8.150 nan 0.000 0.485 295 Q N -1.708 118.092 119.800 -0.001 0.000 2.339 295 Q HA -0.025 4.315 4.340 0.000 0.000 0.205 295 Q C 1.847 177.841 176.000 -0.011 0.000 0.925 295 Q CA 0.678 56.478 55.803 -0.005 0.000 0.898 295 Q CB -0.082 28.653 28.738 -0.006 0.000 1.013 295 Q HN 0.945 nan 8.270 nan 0.000 0.504 296 H N -0.634 118.335 119.070 -0.168 0.000 2.448 296 H HA -0.061 4.495 4.556 0.000 0.000 0.292 296 H C 0.968 176.219 175.328 -0.128 0.000 1.035 296 H CA 0.956 56.886 56.048 -0.197 0.000 1.349 296 H CB 0.377 29.949 29.762 -0.316 0.000 1.425 296 H HN 0.220 nan 8.280 nan 0.000 0.539 297 Y N 0.744 120.938 120.300 -0.176 0.000 2.373 297 Y HA -0.042 4.508 4.550 0.000 0.000 0.293 297 Y C 2.670 178.478 175.900 -0.153 0.000 1.129 297 Y CA 0.392 58.370 58.100 -0.204 0.000 1.226 297 Y CB -0.283 38.138 38.460 -0.066 0.000 1.000 297 Y HN 0.149 nan 8.280 nan 0.000 0.549 298 L N -1.132 120.107 121.223 0.027 0.000 2.068 298 L HA -0.100 4.240 4.340 0.000 0.000 0.204 298 L C 2.651 179.495 176.870 -0.044 0.000 1.076 298 L CA 0.987 55.823 54.840 -0.007 0.000 0.753 298 L CB -0.807 41.246 42.059 -0.009 0.000 0.910 298 L HN 0.150 nan 8.230 nan 0.000 0.439 299 A N -0.016 122.766 122.820 -0.063 0.000 1.948 299 A HA -0.291 4.029 4.320 0.000 0.000 0.220 299 A C 2.334 179.871 177.584 -0.078 0.000 1.177 299 A CA 2.073 54.073 52.037 -0.061 0.000 0.636 299 A CB -0.487 18.487 19.000 -0.044 0.000 0.815 299 A HN 0.309 nan 8.150 nan 0.000 0.449 300 K N -0.850 119.466 120.400 -0.140 0.000 2.211 300 K HA -0.103 4.217 4.320 0.000 0.000 0.203 300 K C 1.546 178.109 176.600 -0.061 0.000 1.050 300 K CA 1.218 57.427 56.287 -0.130 0.000 0.945 300 K CB 0.022 32.384 32.500 -0.230 0.000 0.732 300 K HN 0.442 nan 8.250 nan 0.000 0.451 301 E N -1.179 118.993 120.200 -0.047 0.000 2.318 301 E HA 0.010 4.360 4.350 0.000 0.000 0.193 301 E C 1.048 177.632 176.600 -0.027 0.000 0.998 301 E CA 0.920 57.302 56.400 -0.030 0.000 0.859 301 E CB 0.849 30.535 29.700 -0.023 0.000 0.812 301 E HN 0.512 nan 8.360 nan 0.000 0.492 302 G N 1.564 110.346 108.800 -0.031 0.000 2.163 302 G HA2 -0.224 3.736 3.960 0.000 0.000 0.213 302 G HA3 -0.224 3.736 3.960 0.000 0.000 0.213 302 G C 0.272 175.154 174.900 -0.031 0.000 0.991 302 G CA 0.004 45.088 45.100 -0.027 0.000 0.653 302 G HN 0.184 nan 8.290 nan 0.000 0.518 303 I N 1.883 122.431 120.570 -0.036 0.000 2.342 303 I HA 0.400 4.570 4.170 0.000 0.000 0.291 303 I C 0.857 176.935 176.117 -0.065 0.000 1.010 303 I CA -1.074 60.198 61.300 -0.047 0.000 1.308 303 I CB 1.448 39.422 38.000 -0.043 0.000 1.400 303 I HN -0.083 nan 8.210 nan 0.000 0.488 304 V N 5.093 124.955 119.914 -0.087 0.000 2.607 304 V HA 0.752 4.872 4.120 0.000 0.000 0.289 304 V C 0.431 176.410 176.094 -0.192 0.000 1.053 304 V CA -0.435 61.795 62.300 -0.117 0.000 0.996 304 V CB 1.028 32.785 31.823 -0.109 0.000 0.995 304 V HN 0.892 nan 8.190 nan 0.000 0.476 305 A N 3.092 125.803 122.820 -0.182 0.000 2.549 305 A HA 0.957 5.277 4.320 0.000 0.000 0.297 305 A C -0.591 176.894 177.584 -0.165 0.000 1.061 305 A CA -0.244 51.664 52.037 -0.215 0.000 0.690 305 A CB 1.915 20.844 19.000 -0.118 0.000 1.287 305 A HN 1.674 nan 8.150 nan 0.000 0.402 306 A N 1.787 124.511 122.820 -0.160 0.000 2.374 306 A HA 0.772 5.092 4.320 0.000 0.000 0.305 306 A C -0.095 177.514 177.584 0.041 0.000 1.053 306 A CA -0.673 51.355 52.037 -0.015 0.000 0.726 306 A CB 0.941 19.994 19.000 0.089 0.000 1.229 306 A HN 1.215 nan 8.150 nan 0.000 0.431 307 R N 2.289 122.813 120.500 0.039 0.000 2.536 307 R HA 0.612 4.952 4.340 0.000 0.000 0.279 307 R C -0.622 175.708 176.300 0.051 0.000 1.001 307 R CA -0.451 55.675 56.100 0.042 0.000 1.027 307 R CB 0.566 30.881 30.300 0.025 0.000 1.096 307 R HN 0.785 nan 8.270 nan 0.000 0.502 308 R N 0.461 120.990 120.500 0.047 0.000 3.267 308 R HA -0.109 4.231 4.340 0.000 0.000 0.254 308 R C -0.608 175.719 176.300 0.045 0.000 0.993 308 R CA 0.673 56.797 56.100 0.039 0.000 0.670 308 R CB -1.932 28.385 30.300 0.028 0.000 1.125 308 R HN 0.469 nan 8.270 nan 0.000 0.434 309 V N 2.022 121.973 119.914 0.062 0.000 2.583 309 V HA 0.080 4.200 4.120 0.000 0.000 0.287 309 V C 1.283 177.389 176.094 0.020 0.000 1.051 309 V CA -0.377 61.954 62.300 0.052 0.000 1.010 309 V CB 1.373 33.246 31.823 0.083 0.000 0.988 309 V HN 0.113 nan 8.190 nan 0.000 0.478 310 K N 3.468 123.869 120.400 0.001 0.000 2.586 310 K HA -0.109 4.211 4.320 0.000 0.000 0.280 310 K C 1.279 177.870 176.600 -0.014 0.000 0.972 310 K CA 0.363 56.644 56.287 -0.010 0.000 1.040 310 K CB 0.429 32.916 32.500 -0.022 0.000 0.870 310 K HN 0.650 nan 8.250 nan 0.000 0.497 311 K N 1.963 122.358 120.400 -0.009 0.000 2.103 311 K HA -0.185 4.135 4.320 0.000 0.000 0.207 311 K C 1.822 178.409 176.600 -0.022 0.000 1.048 311 K CA 1.928 58.209 56.287 -0.010 0.000 0.930 311 K CB 0.023 32.520 32.500 -0.005 0.000 0.716 311 K HN 0.639 nan 8.250 nan 0.000 0.444 312 S N 0.501 116.185 115.700 -0.026 0.000 2.382 312 S HA -0.149 4.321 4.470 0.000 0.000 0.228 312 S C 1.515 176.084 174.600 -0.052 0.000 1.027 312 S CA 1.403 59.583 58.200 -0.034 0.000 0.991 312 S CB -0.273 62.908 63.200 -0.032 0.000 0.823 312 S HN 0.297 nan 8.310 nan 0.000 0.469 313 D N 0.595 120.958 120.400 -0.062 0.000 2.348 313 D HA 0.126 4.766 4.640 0.000 0.000 0.216 313 D C 1.621 177.848 176.300 -0.121 0.000 0.970 313 D CA 0.560 54.501 54.000 -0.100 0.000 0.889 313 D CB -0.044 40.694 40.800 -0.104 0.000 0.912 313 D HN 0.348 nan 8.370 nan 0.000 0.524 314 M N -0.189 119.366 119.600 -0.076 0.000 2.357 314 M HA 0.024 4.504 4.480 0.000 0.000 0.266 314 M C 1.763 178.030 176.300 -0.056 0.000 1.095 314 M CA 0.863 56.125 55.300 -0.062 0.000 1.156 314 M CB -0.505 32.082 32.600 -0.020 0.000 1.365 314 M HN -0.006 nan 8.290 nan 0.000 0.447 315 E N 0.112 120.285 120.200 -0.046 0.000 2.107 315 E HA -0.101 4.249 4.350 0.000 0.000 0.191 315 E C 2.036 178.607 176.600 -0.049 0.000 0.982 315 E CA 0.609 56.986 56.400 -0.037 0.000 0.809 315 E CB 0.047 29.730 29.700 -0.028 0.000 0.756 315 E HN 0.276 nan 8.360 nan 0.000 0.459 316 K N 0.739 121.098 120.400 -0.068 0.000 2.063 316 K HA -0.138 4.182 4.320 0.000 0.000 0.208 316 K C 2.165 178.710 176.600 -0.093 0.000 1.048 316 K CA 1.027 57.266 56.287 -0.079 0.000 0.928 316 K CB -0.279 32.161 32.500 -0.099 0.000 0.713 316 K HN 0.212 nan 8.250 nan 0.000 0.442 317 L N 0.281 121.429 121.223 -0.125 0.000 2.131 317 L HA -0.065 4.275 4.340 0.000 0.000 0.206 317 L C 2.553 179.383 176.870 -0.066 0.000 1.087 317 L CA 0.789 55.545 54.840 -0.141 0.000 0.767 317 L CB -0.498 41.408 42.059 -0.256 0.000 0.917 317 L HN 0.082 nan 8.230 nan 0.000 0.441 318 A N 0.719 123.512 122.820 -0.045 0.000 1.892 318 A HA -0.251 4.069 4.320 0.000 0.000 0.218 318 A C 2.302 179.882 177.584 -0.008 0.000 1.188 318 A CA 2.039 54.067 52.037 -0.015 0.000 0.631 318 A CB -0.315 18.678 19.000 -0.011 0.000 0.822 318 A HN 0.396 nan 8.150 nan 0.000 0.447 319 K N -0.703 119.688 120.400 -0.016 0.000 2.098 319 K HA 0.226 4.546 4.320 0.000 0.000 0.203 319 K C 2.290 178.889 176.600 -0.001 0.000 1.051 319 K CA 0.844 57.128 56.287 -0.005 0.000 0.957 319 K CB -0.236 32.258 32.500 -0.011 0.000 0.738 319 K HN 0.365 nan 8.250 nan 0.000 0.447 320 A N 1.679 124.489 122.820 -0.018 0.000 1.929 320 A HA -0.124 4.196 4.320 0.000 0.000 0.216 320 A C 2.285 179.872 177.584 0.005 0.000 1.176 320 A CA 1.996 54.023 52.037 -0.017 0.000 0.628 320 A CB -0.857 18.120 19.000 -0.037 0.000 0.816 320 A HN 0.452 nan 8.150 nan 0.000 0.444 321 T N -4.486 110.073 114.554 0.008 0.000 3.009 321 T HA 0.387 4.737 4.350 0.000 0.000 0.258 321 T C 1.342 176.068 174.700 0.042 0.000 1.063 321 T CA 1.165 63.283 62.100 0.029 0.000 1.139 321 T CB -0.120 68.769 68.868 0.034 0.000 0.890 321 T HN 1.725 nan 8.240 nan 0.000 0.471 322 G N 1.208 110.030 108.800 0.037 0.000 2.288 322 G HA2 0.229 4.189 3.960 0.000 0.000 0.205 322 G HA3 0.229 4.189 3.960 0.000 0.000 0.205 322 G C 0.088 175.007 174.900 0.031 0.000 1.071 322 G CA -0.129 44.995 45.100 0.040 0.000 0.788 322 G HN 0.987 nan 8.290 nan 0.000 0.491 323 A N -0.333 122.504 122.820 0.028 0.000 2.580 323 A HA 0.917 5.237 4.320 0.000 0.000 0.275 323 A C 0.268 177.866 177.584 0.024 0.000 1.321 323 A CA -0.665 51.391 52.037 0.031 0.000 0.924 323 A CB 0.923 19.948 19.000 0.042 0.000 1.512 323 A HN 0.434 nan 8.150 nan 0.000 0.492 324 N N -0.816 117.900 118.700 0.027 0.000 2.369 324 N HA 0.320 5.060 4.740 0.000 0.000 0.287 324 N C -1.696 173.829 175.510 0.025 0.000 1.067 324 N CA -0.332 52.731 53.050 0.022 0.000 0.888 324 N CB 2.102 40.601 38.487 0.019 0.000 1.616 324 N HN 0.243 nan 8.380 nan 0.000 0.482 325 V N 3.849 123.775 119.914 0.020 0.000 2.381 325 V HA 0.197 4.317 4.120 0.000 0.000 0.257 325 V C 0.472 176.578 176.094 0.020 0.000 1.057 325 V CA -0.073 62.240 62.300 0.022 0.000 1.013 325 V CB -0.265 31.567 31.823 0.015 0.000 1.069 325 V HN 0.454 nan 8.190 nan 0.000 0.484 326 I N 4.884 125.468 120.570 0.025 0.000 2.331 326 I HA 0.234 4.404 4.170 0.000 0.000 0.292 326 I C 1.356 177.485 176.117 0.020 0.000 0.998 326 I CA 0.257 61.569 61.300 0.021 0.000 1.267 326 I CB 1.441 39.454 38.000 0.021 0.000 1.386 326 I HN 0.500 nan 8.210 nan 0.000 0.476 327 T N 4.165 118.729 114.554 0.016 0.000 3.009 327 T HA -0.020 4.331 4.350 0.000 0.000 0.258 327 T C 0.938 175.646 174.700 0.014 0.000 1.063 327 T CA 0.687 62.796 62.100 0.015 0.000 1.139 327 T CB -0.143 68.732 68.868 0.012 0.000 0.890 327 T HN 0.406 nan 8.240 nan 0.000 0.471 328 N N 1.420 120.127 118.700 0.012 0.000 2.462 328 N HA 0.252 4.992 4.740 0.000 0.000 0.242 328 N C 0.640 176.156 175.510 0.011 0.000 1.010 328 N CA -0.328 52.728 53.050 0.011 0.000 0.939 328 N CB 0.468 38.959 38.487 0.008 0.000 1.127 328 N HN 0.163 nan 8.380 nan 0.000 0.509 329 I N 3.248 123.825 120.570 0.011 0.000 2.454 329 I HA -0.215 3.955 4.170 0.000 0.000 0.254 329 I C 1.448 177.569 176.117 0.007 0.000 1.156 329 I CA 1.125 62.432 61.300 0.011 0.000 1.433 329 I CB 0.255 38.262 38.000 0.012 0.000 1.082 329 I HN 0.428 nan 8.210 nan 0.000 0.432 330 K N 0.135 120.538 120.400 0.005 0.000 2.057 330 K HA -0.190 4.130 4.320 0.000 0.000 0.206 330 K C 1.171 177.773 176.600 0.003 0.000 1.050 330 K CA 1.501 57.790 56.287 0.002 0.000 0.935 330 K CB -0.607 31.894 32.500 0.002 0.000 0.715 330 K HN 0.349 nan 8.250 nan 0.000 0.439 331 D N 0.893 121.296 120.400 0.005 0.000 2.344 331 D HA -0.029 4.611 4.640 0.000 0.000 0.242 331 D C -0.529 175.775 176.300 0.007 0.000 1.159 331 D CA -0.089 53.914 54.000 0.005 0.000 0.859 331 D CB -0.091 40.712 40.800 0.006 0.000 0.925 331 D HN -0.140 nan 8.370 nan 0.000 0.510 332 L N 0.947 122.174 121.223 0.007 0.000 2.462 332 L HA 0.202 4.542 4.340 0.000 0.000 0.283 332 L C 0.241 177.115 176.870 0.007 0.000 1.166 332 L CA 0.147 54.992 54.840 0.009 0.000 0.964 332 L CB -0.229 41.836 42.059 0.009 0.000 1.294 332 L HN -0.156 nan 8.230 nan 0.000 0.449 333 S N 2.865 118.570 115.700 0.008 0.000 2.606 333 S HA 0.415 4.885 4.470 0.000 0.000 0.257 333 S C 1.290 175.895 174.600 0.008 0.000 1.327 333 S CA 0.111 58.315 58.200 0.006 0.000 0.984 333 S CB 1.012 64.216 63.200 0.006 0.000 0.941 333 S HN 0.783 nan 8.310 nan 0.000 0.576 334 A N 1.186 124.009 122.820 0.006 0.000 2.275 334 A HA 0.232 4.552 4.320 0.000 0.000 0.212 334 A C 1.106 178.695 177.584 0.009 0.000 1.201 334 A CA 0.179 52.220 52.037 0.007 0.000 0.843 334 A CB -0.153 18.849 19.000 0.004 0.000 0.873 334 A HN 0.707 nan 8.150 nan 0.000 0.492 335 Q N -0.266 119.540 119.800 0.009 0.000 2.171 335 Q HA 0.125 4.465 4.340 0.000 0.000 0.218 335 Q C -0.271 175.737 176.000 0.013 0.000 0.822 335 Q CA 0.121 55.930 55.803 0.010 0.000 0.987 335 Q CB 0.618 29.360 28.738 0.006 0.000 1.144 335 Q HN 0.369 nan 8.270 nan 0.000 0.494 336 D N -0.008 120.401 120.400 0.015 0.000 2.319 336 D HA 0.078 4.718 4.640 0.000 0.000 0.230 336 D C -0.272 176.045 176.300 0.028 0.000 1.094 336 D CA 0.242 54.254 54.000 0.020 0.000 0.856 336 D CB 0.353 41.164 40.800 0.019 0.000 0.915 336 D HN 0.241 nan 8.370 nan 0.000 0.517 337 L N 0.410 121.650 121.223 0.028 0.000 2.307 337 L HA 0.492 4.832 4.340 0.000 0.000 0.282 337 L C 1.366 178.259 176.870 0.039 0.000 1.051 337 L CA -0.884 53.978 54.840 0.037 0.000 0.804 337 L CB 1.613 43.691 42.059 0.031 0.000 1.197 337 L HN -0.081 nan 8.230 nan 0.000 0.431 338 G N 1.048 109.879 108.800 0.051 0.000 2.516 338 G HA2 0.281 4.241 3.960 0.000 0.000 0.276 338 G HA3 0.281 4.241 3.960 0.000 0.000 0.276 338 G C -1.338 173.592 174.900 0.050 0.000 1.390 338 G CA -0.064 45.065 45.100 0.050 0.000 1.050 338 G HN 0.652 nan 8.290 nan 0.000 0.519 339 D N -1.578 118.852 120.400 0.051 0.000 2.764 339 D HA 0.552 5.192 4.640 0.000 0.000 0.227 339 D C -0.567 175.766 176.300 0.053 0.000 1.347 339 D CA -0.114 53.915 54.000 0.050 0.000 0.953 339 D CB 1.481 42.305 40.800 0.041 0.000 1.476 339 D HN 0.560 nan 8.370 nan 0.000 0.585 340 A N 1.961 124.817 122.820 0.060 0.000 2.356 340 A HA 0.643 4.963 4.320 0.000 0.000 0.310 340 A C 1.026 178.643 177.584 0.055 0.000 1.075 340 A CA -0.437 51.636 52.037 0.060 0.000 0.746 340 A CB 1.596 20.641 19.000 0.075 0.000 1.221 340 A HN 0.586 nan 8.150 nan 0.000 0.443 341 G N 0.508 109.337 108.800 0.048 0.000 2.990 341 G HA2 0.401 4.361 3.960 0.000 0.000 0.206 341 G HA3 0.401 4.361 3.960 0.000 0.000 0.206 341 G C 0.049 174.974 174.900 0.041 0.000 1.169 341 G CA 0.646 45.770 45.100 0.040 0.000 0.819 341 G HN 0.906 nan 8.290 nan 0.000 0.517 342 L N -0.421 120.835 121.223 0.055 0.000 2.830 342 L HA 0.326 4.666 4.340 0.000 0.000 0.259 342 L C -1.777 175.146 176.870 0.089 0.000 0.926 342 L CA -0.688 54.187 54.840 0.058 0.000 0.993 342 L CB 1.904 43.992 42.059 0.048 0.000 1.589 342 L HN -0.172 nan 8.230 nan 0.000 0.460 343 V N 3.463 123.432 119.914 0.090 0.000 2.409 343 V HA 0.558 4.678 4.120 0.000 0.000 0.290 343 V C -0.526 175.633 176.094 0.109 0.000 1.017 343 V CA -0.426 61.953 62.300 0.131 0.000 0.841 343 V CB 1.625 33.533 31.823 0.141 0.000 1.003 343 V HN 0.728 nan 8.190 nan 0.000 0.426 344 E N 2.989 123.274 120.200 0.142 0.000 2.314 344 E HA 0.440 4.790 4.350 0.000 0.000 0.272 344 E C -1.129 175.560 176.600 0.148 0.000 0.884 344 E CA -0.693 55.762 56.400 0.092 0.000 0.753 344 E CB 2.509 32.218 29.700 0.014 0.000 1.213 344 E HN 0.743 nan 8.360 nan 0.000 0.432 345 E N 3.908 124.166 120.200 0.097 0.000 2.089 345 E HA 0.227 4.577 4.350 0.000 0.000 0.284 345 E C -0.795 175.841 176.600 0.059 0.000 1.023 345 E CA -0.269 56.203 56.400 0.121 0.000 0.819 345 E CB 0.709 30.459 29.700 0.083 0.000 1.076 345 E HN 0.325 nan 8.360 nan 0.000 0.396 346 R N 3.398 123.949 120.500 0.085 0.000 2.778 346 R HA 0.393 4.733 4.340 0.000 0.000 0.277 346 R C -0.490 175.859 176.300 0.082 0.000 0.977 346 R CA -0.934 55.145 56.100 -0.035 0.000 0.950 346 R CB 1.746 31.818 30.300 -0.380 0.000 1.165 346 R HN 0.284 nan 8.270 nan 0.000 0.474 347 K N 1.901 122.320 120.400 0.031 0.000 2.253 347 K HA 0.328 4.648 4.320 0.000 0.000 0.277 347 K C -0.927 175.707 176.600 0.056 0.000 1.053 347 K CA -0.422 55.899 56.287 0.058 0.000 0.892 347 K CB 0.872 33.391 32.500 0.031 0.000 1.102 347 K HN 0.252 nan 8.250 nan 0.000 0.469 348 I N 2.288 122.927 120.570 0.116 0.000 2.439 348 I HA 0.032 4.202 4.170 0.000 0.000 0.283 348 I C 0.047 176.216 176.117 0.087 0.000 1.023 348 I CA 0.449 61.819 61.300 0.117 0.000 1.100 348 I CB 1.650 39.800 38.000 0.250 0.000 1.238 348 I HN 0.718 nan 8.210 nan 0.000 0.445 349 S N 4.662 120.394 115.700 0.052 0.000 3.812 349 S HA -0.139 4.331 4.470 0.000 0.000 0.341 349 S C 1.089 175.707 174.600 0.029 0.000 1.057 349 S CA 1.535 59.756 58.200 0.035 0.000 1.015 349 S CB -1.428 61.792 63.200 0.033 0.000 0.893 349 S HN 2.028 nan 8.310 nan 0.000 0.476 350 G N 0.399 109.216 108.800 0.029 0.000 3.757 350 G HA2 -0.278 3.682 3.960 0.000 0.000 0.215 350 G HA3 -0.278 3.682 3.960 0.000 0.000 0.215 350 G C -0.307 174.612 174.900 0.032 0.000 1.411 350 G CA 0.277 45.392 45.100 0.024 0.000 0.896 350 G HN 0.806 nan 8.290 nan 0.000 0.581 351 D N 1.870 122.292 120.400 0.036 0.000 2.423 351 D HA 0.474 5.114 4.640 0.000 0.000 0.238 351 D C 0.797 177.137 176.300 0.067 0.000 1.142 351 D CA 0.966 54.991 54.000 0.041 0.000 0.884 351 D CB 1.309 42.128 40.800 0.032 0.000 1.199 351 D HN 0.791 nan 8.370 nan 0.000 0.438 352 S N 1.211 116.950 115.700 0.066 0.000 2.438 352 S HA 0.673 5.143 4.470 0.000 0.000 0.316 352 S C -0.138 174.529 174.600 0.112 0.000 1.084 352 S CA -0.902 57.355 58.200 0.095 0.000 1.107 352 S CB 0.886 64.128 63.200 0.069 0.000 0.981 352 S HN 0.351 nan 8.310 nan 0.000 0.466 353 M N 2.590 122.302 119.600 0.187 0.000 2.716 353 M HA 0.537 5.017 4.480 0.000 0.000 0.307 353 M C -0.910 175.546 176.300 0.260 0.000 1.223 353 M CA -0.766 54.622 55.300 0.147 0.000 0.871 353 M CB 2.082 34.680 32.600 -0.003 0.000 1.739 353 M HN 0.570 nan 8.290 nan 0.000 0.475 354 I N 2.183 122.854 120.570 0.168 0.000 2.307 354 I HA 0.245 4.415 4.170 0.000 0.000 0.287 354 I C -1.151 175.094 176.117 0.212 0.000 1.054 354 I CA -0.312 61.139 61.300 0.251 0.000 1.218 354 I CB 0.055 38.218 38.000 0.272 0.000 1.398 354 I HN 0.374 nan 8.210 nan 0.000 0.475 355 F N 5.619 125.610 119.950 0.067 0.000 2.467 355 F HA 0.182 4.709 4.527 0.000 0.000 0.362 355 F C 0.728 176.567 175.800 0.066 0.000 1.090 355 F CA -0.376 57.652 58.000 0.046 0.000 1.202 355 F CB 0.839 39.858 39.000 0.031 0.000 1.113 355 F HN 0.074 nan 8.300 nan 0.000 0.541 356 V N 4.354 124.364 119.914 0.160 0.000 2.435 356 V HA 0.140 4.260 4.120 0.000 0.000 0.263 356 V C 0.233 176.383 176.094 0.093 0.000 1.087 356 V CA -0.524 61.853 62.300 0.127 0.000 1.253 356 V CB -0.814 31.045 31.823 0.061 0.000 1.462 356 V HN 0.760 nan 8.190 nan 0.000 0.547 357 E N 0.900 121.176 120.200 0.127 0.000 3.188 357 E HA 0.399 4.749 4.350 0.000 0.000 0.262 357 E C -0.248 176.393 176.600 0.068 0.000 1.341 357 E CA -0.786 55.674 56.400 0.100 0.000 1.140 357 E CB 0.518 30.303 29.700 0.141 0.000 1.306 357 E HN 0.342 nan 8.360 nan 0.000 0.694 358 E N -1.034 119.198 120.200 0.054 0.000 2.238 358 E HA -0.226 4.124 4.350 0.000 0.000 0.219 358 E C -0.592 176.031 176.600 0.038 0.000 1.275 358 E CA 0.080 56.504 56.400 0.040 0.000 0.714 358 E CB -1.887 27.836 29.700 0.038 0.000 1.154 358 E HN 0.351 nan 8.360 nan 0.000 0.363 359 C N 0.480 119.801 119.300 0.034 0.000 2.639 359 C HA 0.104 4.564 4.460 0.000 0.000 0.360 359 C C 2.026 177.039 174.990 0.037 0.000 1.351 359 C CA -0.578 58.461 59.018 0.035 0.000 2.408 359 C CB 0.805 28.562 27.740 0.028 0.000 2.517 359 C HN 0.429 nan 8.230 nan 0.000 0.696 360 K N 0.282 120.714 120.400 0.054 0.000 2.056 360 K HA 0.031 4.351 4.320 0.000 0.000 0.205 360 K C 0.481 177.147 176.600 0.110 0.000 1.035 360 K CA 1.350 57.681 56.287 0.074 0.000 0.955 360 K CB -0.381 32.166 32.500 0.078 0.000 0.769 360 K HN 0.691 nan 8.250 nan 0.000 0.447 361 H N 1.563 120.637 119.070 0.007 0.000 2.418 361 H HA 0.265 4.821 4.556 0.000 0.000 0.238 361 H C -2.633 172.697 175.328 0.002 0.000 1.403 361 H CA -2.187 53.864 56.048 0.005 0.000 1.419 361 H CB 0.472 30.237 29.762 0.004 0.000 1.463 361 H HN -0.067 nan 8.280 nan 0.000 0.515 362 P HA 0.132 nan 4.420 nan 0.000 0.276 362 P C 0.177 177.409 177.300 -0.114 0.000 1.243 362 P CA -0.473 62.581 63.100 -0.078 0.000 0.768 362 P CB 1.136 32.794 31.700 -0.069 0.000 0.856 363 K N 1.050 121.422 120.400 -0.048 0.000 2.387 363 K HA 0.469 4.789 4.320 0.000 0.000 0.203 363 K C 0.242 176.822 176.600 -0.033 0.000 1.030 363 K CA -0.132 56.134 56.287 -0.036 0.000 1.099 363 K CB 0.674 33.178 32.500 0.005 0.000 0.863 363 K HN 0.494 nan 8.250 nan 0.000 0.529 364 A N 0.184 122.981 122.820 -0.038 0.000 2.475 364 A HA 0.758 5.078 4.320 0.000 0.000 0.301 364 A C -1.070 176.487 177.584 -0.044 0.000 1.059 364 A CA -0.575 51.438 52.037 -0.041 0.000 0.710 364 A CB 1.762 20.736 19.000 -0.043 0.000 1.288 364 A HN -0.115 nan 8.150 nan 0.000 0.408 365 V N 0.335 120.223 119.914 -0.043 0.000 3.049 365 V HA 0.692 4.812 4.120 0.000 0.000 0.309 365 V C -0.347 175.722 176.094 -0.041 0.000 1.148 365 V CA -0.519 61.757 62.300 -0.039 0.000 0.990 365 V CB 2.528 34.329 31.823 -0.037 0.000 1.039 365 V HN 0.953 nan 8.190 nan 0.000 0.430 366 T N 4.691 119.222 114.554 -0.038 0.000 2.807 366 T HA 0.510 4.860 4.350 0.000 0.000 0.279 366 T C -0.407 174.276 174.700 -0.028 0.000 0.993 366 T CA -0.447 61.628 62.100 -0.043 0.000 0.970 366 T CB 1.107 69.937 68.868 -0.065 0.000 0.950 366 T HN 0.385 nan 8.240 nan 0.000 0.441 367 M N 3.885 123.469 119.600 -0.027 0.000 2.069 367 M HA 0.302 4.782 4.480 0.000 0.000 0.349 367 M C -0.694 175.597 176.300 -0.015 0.000 1.194 367 M CA -0.868 54.422 55.300 -0.015 0.000 1.081 367 M CB 0.600 33.192 32.600 -0.014 0.000 1.500 367 M HN 0.364 nan 8.290 nan 0.000 0.438 368 L N 6.570 127.791 121.223 -0.003 0.000 2.295 368 L HA 0.425 4.765 4.340 0.000 0.000 0.288 368 L C -0.453 176.422 176.870 0.009 0.000 1.079 368 L CA 0.216 55.058 54.840 0.003 0.000 0.830 368 L CB -0.043 42.036 42.059 0.033 0.000 1.200 368 L HN 0.495 nan 8.230 nan 0.000 0.438 369 I N 5.733 126.304 120.570 0.001 0.000 2.440 369 I HA 0.456 4.626 4.170 0.000 0.000 0.294 369 I C 0.115 176.237 176.117 0.008 0.000 0.995 369 I CA -0.638 60.665 61.300 0.004 0.000 1.306 369 I CB 0.763 38.762 38.000 -0.001 0.000 1.407 369 I HN 0.547 nan 8.210 nan 0.000 0.501 370 R N 3.838 124.344 120.500 0.011 0.000 2.698 370 R HA 0.817 5.157 4.340 0.000 0.000 0.275 370 R C -0.721 175.585 176.300 0.009 0.000 1.001 370 R CA -1.041 55.066 56.100 0.012 0.000 0.896 370 R CB 2.525 32.837 30.300 0.020 0.000 1.218 370 R HN 0.877 nan 8.270 nan 0.000 0.462 371 G N -0.378 108.426 108.800 0.007 0.000 2.579 371 G HA2 0.248 4.208 3.960 0.000 0.000 0.292 371 G HA3 0.248 4.208 3.960 0.000 0.000 0.292 371 G C 0.532 175.435 174.900 0.005 0.000 1.484 371 G CA -0.252 44.853 45.100 0.007 0.000 0.813 371 G HN 0.500 nan 8.290 nan 0.000 0.515 372 T N -1.736 112.822 114.554 0.007 0.000 2.595 372 T HA -0.006 4.345 4.350 0.000 0.000 0.264 372 T C 1.710 176.412 174.700 0.003 0.000 1.058 372 T CA 2.389 64.493 62.100 0.006 0.000 1.166 372 T CB -0.778 68.095 68.868 0.009 0.000 0.863 372 T HN 1.395 nan 8.240 nan 0.000 0.415 373 T N -1.014 113.544 114.554 0.006 0.000 2.893 373 T HA 0.497 4.848 4.350 0.000 0.000 0.279 373 T C 0.997 175.681 174.700 -0.027 0.000 0.991 373 T CA -0.258 61.840 62.100 -0.002 0.000 0.950 373 T CB 1.828 70.709 68.868 0.021 0.000 1.223 373 T HN 0.167 nan 8.240 nan 0.000 0.585 374 E N -0.561 119.590 120.200 -0.081 0.000 2.076 374 E HA -0.013 4.337 4.350 0.000 0.000 0.190 374 E C 1.819 178.312 176.600 -0.178 0.000 0.979 374 E CA 1.482 57.782 56.400 -0.167 0.000 0.807 374 E CB -0.539 28.990 29.700 -0.284 0.000 0.761 374 E HN 0.856 nan 8.360 nan 0.000 0.454 375 H N -1.138 117.934 119.070 0.003 0.000 2.502 375 H HA 0.068 4.624 4.556 0.000 0.000 0.283 375 H C 1.909 177.239 175.328 0.003 0.000 1.015 375 H CA 0.829 56.878 56.048 0.002 0.000 1.298 375 H CB 0.393 30.156 29.762 0.002 0.000 1.411 375 H HN -0.008 nan 8.280 nan 0.000 0.556 376 V N 0.725 120.698 119.914 0.099 0.000 2.295 376 V HA -0.240 3.880 4.120 0.000 0.000 0.246 376 V C 2.231 178.346 176.094 0.034 0.000 1.049 376 V CA 1.737 64.071 62.300 0.056 0.000 1.024 376 V CB -0.357 31.489 31.823 0.038 0.000 0.648 376 V HN 0.427 nan 8.190 nan 0.000 0.447 377 I N -0.366 120.213 120.570 0.016 0.000 2.226 377 I HA -0.236 3.935 4.170 0.000 0.000 0.245 377 I C 2.606 178.728 176.117 0.009 0.000 1.100 377 I CA 1.674 62.976 61.300 0.004 0.000 1.374 377 I CB -0.330 37.662 38.000 -0.013 0.000 1.057 377 I HN 0.387 nan 8.210 nan 0.000 0.413 378 E N 0.523 120.733 120.200 0.016 0.000 2.150 378 E HA -0.269 4.081 4.350 0.000 0.000 0.193 378 E C 1.893 178.514 176.600 0.036 0.000 0.985 378 E CA 1.085 57.500 56.400 0.025 0.000 0.814 378 E CB 0.208 29.934 29.700 0.044 0.000 0.752 378 E HN 0.338 nan 8.360 nan 0.000 0.466 379 E N -0.318 119.908 120.200 0.044 0.000 2.250 379 E HA -0.049 4.301 4.350 0.000 0.000 0.192 379 E C 1.808 178.422 176.600 0.024 0.000 0.986 379 E CA 0.304 56.725 56.400 0.035 0.000 0.849 379 E CB 0.156 29.880 29.700 0.039 0.000 0.797 379 E HN 0.007 nan 8.360 nan 0.000 0.482 380 V N 0.683 120.609 119.914 0.021 0.000 2.490 380 V HA -0.221 3.899 4.120 0.000 0.000 0.250 380 V C 2.239 178.339 176.094 0.011 0.000 1.061 380 V CA 1.725 64.034 62.300 0.015 0.000 1.064 380 V CB -0.625 31.206 31.823 0.013 0.000 0.670 380 V HN 0.470 nan 8.190 nan 0.000 0.461 381 A N -0.320 122.507 122.820 0.010 0.000 1.873 381 A HA -0.180 4.140 4.320 0.000 0.000 0.215 381 A C 2.347 179.935 177.584 0.006 0.000 1.186 381 A CA 1.457 53.497 52.037 0.006 0.000 0.616 381 A CB -0.470 18.531 19.000 0.003 0.000 0.823 381 A HN 0.460 nan 8.150 nan 0.000 0.442 382 R N -0.562 119.945 120.500 0.010 0.000 2.152 382 R HA -0.063 4.277 4.340 0.000 0.000 0.232 382 R C 2.310 178.615 176.300 0.008 0.000 1.117 382 R CA 0.969 57.074 56.100 0.009 0.000 0.981 382 R CB -0.325 29.983 30.300 0.013 0.000 0.870 382 R HN 0.540 nan 8.270 nan 0.000 0.451 383 A N 0.340 123.166 122.820 0.010 0.000 1.897 383 A HA -0.067 4.253 4.320 0.000 0.000 0.215 383 A C 2.223 179.811 177.584 0.007 0.000 1.181 383 A CA 0.948 52.991 52.037 0.010 0.000 0.620 383 A CB -0.276 18.732 19.000 0.013 0.000 0.821 383 A HN 0.105 nan 8.150 nan 0.000 0.443 384 V N 0.696 120.613 119.914 0.005 0.000 2.490 384 V HA -0.217 3.903 4.120 0.000 0.000 0.250 384 V C 2.007 178.101 176.094 0.000 0.000 1.061 384 V CA 2.154 64.456 62.300 0.002 0.000 1.064 384 V CB -0.704 31.119 31.823 0.000 0.000 0.670 384 V HN 0.487 nan 8.190 nan 0.000 0.461 385 D N -0.109 120.292 120.400 0.000 0.000 2.178 385 D HA -0.131 4.509 4.640 0.000 0.000 0.202 385 D C 1.831 178.131 176.300 -0.001 0.000 0.974 385 D CA 1.146 55.145 54.000 -0.002 0.000 0.841 385 D CB -0.062 40.737 40.800 -0.001 0.000 0.953 385 D HN 0.429 nan 8.370 nan 0.000 0.478 386 D N 0.463 120.864 120.400 0.001 0.000 2.137 386 D HA -0.025 4.615 4.640 0.000 0.000 0.202 386 D C 2.046 178.347 176.300 0.002 0.000 0.970 386 D CA 0.886 54.887 54.000 0.002 0.000 0.837 386 D CB -0.236 40.566 40.800 0.004 0.000 0.981 386 D HN 0.063 nan 8.370 nan 0.000 0.475 387 A N 0.896 123.718 122.820 0.003 0.000 1.849 387 A HA -0.195 4.125 4.320 0.000 0.000 0.217 387 A C 2.476 180.060 177.584 0.000 0.000 1.202 387 A CA 1.855 53.893 52.037 0.003 0.000 0.629 387 A CB -1.063 17.939 19.000 0.004 0.000 0.834 387 A HN 0.135 nan 8.150 nan 0.000 0.447 388 V N 0.080 119.993 119.914 -0.002 0.000 2.636 388 V HA -0.244 3.876 4.120 0.000 0.000 0.258 388 V C 2.551 178.643 176.094 -0.004 0.000 1.092 388 V CA 1.944 64.241 62.300 -0.004 0.000 1.110 388 V CB -1.519 30.300 31.823 -0.007 0.000 0.685 388 V HN 0.688 nan 8.190 nan 0.000 0.481 389 G N 0.386 109.184 108.800 -0.003 0.000 2.425 389 G HA2 -0.136 3.824 3.960 0.000 0.000 0.213 389 G HA3 -0.136 3.824 3.960 0.000 0.000 0.213 389 G C 1.644 176.542 174.900 -0.002 0.000 1.201 389 G CA 1.099 46.197 45.100 -0.003 0.000 0.799 389 G HN 0.532 nan 8.290 nan 0.000 0.534 390 V N -0.769 119.144 119.914 -0.001 0.000 2.515 390 V HA -0.077 4.043 4.120 0.000 0.000 0.250 390 V C 2.667 178.760 176.094 -0.000 0.000 1.058 390 V CA 1.323 63.623 62.300 -0.000 0.000 1.064 390 V CB -0.763 31.061 31.823 0.001 0.000 0.675 390 V HN 0.124 nan 8.190 nan 0.000 0.461 391 V N 2.045 121.958 119.914 -0.000 0.000 2.270 391 V HA -0.083 4.037 4.120 0.000 0.000 0.245 391 V C 2.950 179.042 176.094 -0.003 0.000 1.043 391 V CA 2.413 64.712 62.300 -0.001 0.000 1.014 391 V CB -1.473 30.349 31.823 -0.002 0.000 0.645 391 V HN 0.606 nan 8.190 nan 0.000 0.447 392 G N -1.609 107.189 108.800 -0.004 0.000 2.475 392 G HA2 -0.314 3.646 3.960 0.000 0.000 0.220 392 G HA3 -0.314 3.646 3.960 0.000 0.000 0.220 392 G C 1.696 176.594 174.900 -0.003 0.000 1.125 392 G CA 1.396 46.493 45.100 -0.004 0.000 0.755 392 G HN 0.538 nan 8.290 nan 0.000 0.565 393 C N 0.270 119.569 119.300 -0.002 0.000 2.450 393 C HA 0.073 4.533 4.460 0.000 0.000 0.279 393 C C 3.187 178.176 174.990 -0.001 0.000 1.335 393 C CA 1.481 60.498 59.018 -0.002 0.000 1.749 393 C CB -0.760 26.979 27.740 -0.002 0.000 1.963 393 C HN 0.476 nan 8.230 nan 0.000 0.501 394 T N 1.158 115.711 114.554 -0.001 0.000 2.735 394 T HA -0.010 4.340 4.350 0.000 0.000 0.256 394 T C 1.692 176.392 174.700 -0.000 0.000 1.042 394 T CA 1.124 63.224 62.100 0.000 0.000 1.147 394 T CB -0.261 68.608 68.868 0.001 0.000 0.865 394 T HN 0.399 nan 8.240 nan 0.000 0.421 395 I N 1.362 121.931 120.570 -0.001 0.000 2.103 395 I HA -0.323 3.847 4.170 0.000 0.000 0.241 395 I C 2.774 178.890 176.117 -0.001 0.000 1.036 395 I CA 1.772 63.072 61.300 -0.001 0.000 1.300 395 I CB -0.485 37.514 38.000 -0.002 0.000 1.010 395 I HN 0.362 nan 8.210 nan 0.000 0.406 396 E N 0.433 120.632 120.200 -0.001 0.000 2.023 396 E HA -0.240 4.110 4.350 0.000 0.000 0.196 396 E C 1.867 178.467 176.600 -0.001 0.000 1.003 396 E CA 1.742 58.141 56.400 -0.001 0.000 0.809 396 E CB -0.092 29.607 29.700 -0.002 0.000 0.755 396 E HN 0.481 nan 8.360 nan 0.000 0.449 397 D N -1.607 118.793 120.400 -0.001 0.000 2.085 397 D HA -0.059 4.581 4.640 0.000 0.000 0.199 397 D C 1.527 177.827 176.300 -0.000 0.000 0.981 397 D CA 1.704 55.704 54.000 -0.001 0.000 0.834 397 D CB -0.159 40.640 40.800 -0.001 0.000 0.992 397 D HN 0.391 nan 8.370 nan 0.000 0.457 398 G N -0.113 108.687 108.800 0.000 0.000 2.234 398 G HA2 -0.270 3.690 3.960 0.000 0.000 0.235 398 G HA3 -0.270 3.690 3.960 0.000 0.000 0.235 398 G C 0.460 175.361 174.900 0.001 0.000 0.997 398 G CA 0.117 45.218 45.100 0.001 0.000 0.623 398 G HN 0.341 nan 8.290 nan 0.000 0.514 399 R N 0.403 120.903 120.500 0.001 0.000 2.668 399 R HA 0.835 5.175 4.340 0.000 0.000 0.279 399 R C 0.357 176.658 176.300 0.002 0.000 0.976 399 R CA -0.245 55.856 56.100 0.001 0.000 0.978 399 R CB 1.742 32.042 30.300 0.000 0.000 1.133 399 R HN 0.654 nan 8.270 nan 0.000 0.484 400 I N -1.640 118.932 120.570 0.003 0.000 3.195 400 I HA 0.747 4.917 4.170 0.000 0.000 0.313 400 I C -0.875 175.246 176.117 0.005 0.000 1.237 400 I CA -1.130 60.172 61.300 0.004 0.000 0.963 400 I CB 2.256 40.259 38.000 0.005 0.000 1.278 400 I HN 0.510 nan 8.210 nan 0.000 0.460 401 V N 0.143 120.061 119.914 0.006 0.000 3.105 401 V HA 0.763 4.883 4.120 0.000 0.000 0.311 401 V C -0.308 175.792 176.094 0.011 0.000 1.287 401 V CA -0.221 62.084 62.300 0.009 0.000 1.066 401 V CB 1.372 33.200 31.823 0.008 0.000 1.105 401 V HN 1.019 nan 8.190 nan 0.000 0.462 402 S N 0.478 116.188 115.700 0.017 0.000 2.429 402 S HA 0.766 5.237 4.470 0.000 0.000 0.302 402 S C 0.430 175.038 174.600 0.014 0.000 1.115 402 S CA 0.063 58.274 58.200 0.019 0.000 1.095 402 S CB 0.538 63.756 63.200 0.031 0.000 0.987 402 S HN 1.748 nan 8.310 nan 0.000 0.474 403 G N 1.674 110.479 108.800 0.008 0.000 2.481 403 G HA2 0.460 4.420 3.960 0.000 0.000 0.251 403 G HA3 0.460 4.420 3.960 0.000 0.000 0.251 403 G C 1.092 175.988 174.900 -0.006 0.000 1.492 403 G CA -0.365 44.733 45.100 -0.002 0.000 1.060 403 G HN 2.067 nan 8.290 nan 0.000 0.553 404 G N -2.418 106.368 108.800 -0.023 0.000 2.168 404 G HA2 0.222 4.183 3.960 0.000 0.000 0.263 404 G HA3 0.222 4.183 3.960 0.000 0.000 0.263 404 G C 1.522 176.402 174.900 -0.033 0.000 0.977 404 G CA 1.158 46.236 45.100 -0.037 0.000 0.659 404 G HN 2.513 nan 8.290 nan 0.000 0.533 405 G N -1.356 107.426 108.800 -0.030 0.000 2.141 405 G HA2 -0.089 3.871 3.960 0.000 0.000 0.242 405 G HA3 -0.089 3.871 3.960 0.000 0.000 0.242 405 G C 1.324 176.204 174.900 -0.033 0.000 0.982 405 G CA 1.632 46.710 45.100 -0.037 0.000 0.662 405 G HN 1.770 nan 8.290 nan 0.000 0.527 406 S N 0.093 115.790 115.700 -0.005 0.000 2.349 406 S HA -0.118 4.352 4.470 0.000 0.000 0.216 406 S C 2.690 177.277 174.600 -0.022 0.000 1.033 406 S CA 2.833 61.053 58.200 0.034 0.000 1.021 406 S CB -0.539 62.707 63.200 0.075 0.000 0.968 406 S HN 1.402 nan 8.310 nan 0.000 0.426 407 T N -1.018 113.532 114.554 -0.006 0.000 3.228 407 T HA 0.136 4.486 4.350 0.000 0.000 0.261 407 T C 1.115 175.781 174.700 -0.057 0.000 1.171 407 T CA 0.965 63.052 62.100 -0.022 0.000 1.056 407 T CB -0.265 68.603 68.868 -0.000 0.000 0.938 407 T HN 0.356 nan 8.240 nan 0.000 0.539 408 E N 0.386 120.540 120.200 -0.077 0.000 2.166 408 E HA 0.142 4.493 4.350 0.000 0.000 0.192 408 E C 2.147 178.675 176.600 -0.120 0.000 0.967 408 E CA 0.252 56.605 56.400 -0.079 0.000 0.840 408 E CB -0.024 29.634 29.700 -0.070 0.000 0.795 408 E HN 0.342 nan 8.360 nan 0.000 0.470 409 V N 0.909 120.705 119.914 -0.196 0.000 2.488 409 V HA -0.178 3.942 4.120 0.000 0.000 0.246 409 V C 2.201 178.059 176.094 -0.393 0.000 1.046 409 V CA 1.694 63.824 62.300 -0.284 0.000 1.053 409 V CB -0.271 31.334 31.823 -0.363 0.000 0.679 409 V HN 0.208 nan 8.190 nan 0.000 0.458 410 E N 0.911 120.809 120.200 -0.504 0.000 2.005 410 E HA -0.262 4.088 4.350 0.000 0.000 0.198 410 E C 1.982 178.520 176.600 -0.104 0.000 1.010 410 E CA 1.697 57.938 56.400 -0.265 0.000 0.825 410 E CB -0.716 28.942 29.700 -0.069 0.000 0.769 410 E HN 0.275 nan 8.360 nan 0.000 0.456 411 L N 0.707 121.887 121.223 -0.071 0.000 2.357 411 L HA -0.170 4.170 4.340 0.000 0.000 0.220 411 L C 2.216 179.078 176.870 -0.012 0.000 1.123 411 L CA 2.338 57.160 54.840 -0.030 0.000 0.782 411 L CB -0.959 41.090 42.059 -0.018 0.000 0.910 411 L HN 0.387 nan 8.230 nan 0.000 0.442 412 S N -1.267 114.414 115.700 -0.033 0.000 2.441 412 S HA -0.112 4.358 4.470 0.000 0.000 0.224 412 S C 1.955 176.562 174.600 0.010 0.000 1.043 412 S CA 0.579 58.779 58.200 -0.001 0.000 0.948 412 S CB -0.275 62.910 63.200 -0.026 0.000 0.810 412 S HN 0.586 nan 8.310 nan 0.000 0.504 413 M N 0.584 120.176 119.600 -0.013 0.000 2.193 413 M HA 0.276 4.756 4.480 0.000 0.000 0.265 413 M C 1.955 178.276 176.300 0.035 0.000 1.071 413 M CA 1.009 56.317 55.300 0.013 0.000 1.140 413 M CB -0.418 32.188 32.600 0.011 0.000 1.369 413 M HN -0.073 nan 8.290 nan 0.000 0.423 414 K N 1.611 122.029 120.400 0.029 0.000 2.032 414 K HA -0.018 4.302 4.320 0.000 0.000 0.209 414 K C 2.144 178.785 176.600 0.068 0.000 1.048 414 K CA 1.463 57.776 56.287 0.043 0.000 0.927 414 K CB -0.986 31.529 32.500 0.025 0.000 0.712 414 K HN 0.495 nan 8.250 nan 0.000 0.441 415 L N 0.464 121.716 121.223 0.049 0.000 2.187 415 L HA -0.154 4.186 4.340 0.000 0.000 0.213 415 L C 2.724 179.679 176.870 0.142 0.000 1.100 415 L CA 0.966 55.851 54.840 0.074 0.000 0.765 415 L CB -0.227 41.863 42.059 0.051 0.000 0.904 415 L HN 0.216 nan 8.230 nan 0.000 0.437 416 R N 0.172 120.734 120.500 0.102 0.000 2.093 416 R HA -0.145 4.195 4.340 0.000 0.000 0.224 416 R C 2.242 178.593 176.300 0.085 0.000 1.101 416 R CA 1.294 57.449 56.100 0.092 0.000 0.979 416 R CB 0.112 30.449 30.300 0.062 0.000 0.877 416 R HN 0.558 nan 8.270 nan 0.000 0.441 417 E N -0.834 119.417 120.200 0.085 0.000 2.076 417 E HA -0.248 4.102 4.350 0.000 0.000 0.190 417 E C 1.783 178.426 176.600 0.071 0.000 0.979 417 E CA 0.879 57.317 56.400 0.064 0.000 0.807 417 E CB -0.830 28.903 29.700 0.056 0.000 0.761 417 E HN 0.437 nan 8.360 nan 0.000 0.454 418 Y N 1.987 122.287 120.300 0.000 0.000 2.348 418 Y HA -0.230 4.320 4.550 0.000 0.000 0.285 418 Y C 2.257 178.154 175.900 -0.005 0.000 1.173 418 Y CA 1.511 59.606 58.100 -0.007 0.000 1.263 418 Y CB -0.224 38.225 38.460 -0.019 0.000 0.974 418 Y HN 0.184 nan 8.280 nan 0.000 0.547 419 A N 0.122 122.968 122.820 0.042 0.000 2.016 419 A HA -0.086 4.234 4.320 0.000 0.000 0.217 419 A C 2.014 179.552 177.584 -0.077 0.000 1.162 419 A CA 1.327 53.366 52.037 0.003 0.000 0.662 419 A CB -0.423 18.633 19.000 0.093 0.000 0.812 419 A HN 0.664 nan 8.150 nan 0.000 0.450 420 E N -0.272 119.886 120.200 -0.069 0.000 2.112 420 E HA -0.049 4.302 4.350 0.000 0.000 0.190 420 E C 1.657 178.192 176.600 -0.108 0.000 0.979 420 E CA 0.557 56.918 56.400 -0.064 0.000 0.814 420 E CB -0.328 29.351 29.700 -0.035 0.000 0.762 420 E HN 0.535 nan 8.360 nan 0.000 0.460 421 G N 1.788 110.485 108.800 -0.173 0.000 3.229 421 G HA2 0.053 4.013 3.960 0.000 0.000 0.214 421 G HA3 0.053 4.013 3.960 0.000 0.000 0.214 421 G C 0.332 175.086 174.900 -0.243 0.000 1.256 421 G CA 0.051 45.032 45.100 -0.199 0.000 1.042 421 G HN 0.060 nan 8.290 nan 0.000 0.497 422 I N 1.394 121.846 120.570 -0.197 0.000 2.447 422 I HA 0.224 4.394 4.170 0.000 0.000 0.287 422 I C -0.190 175.877 176.117 -0.083 0.000 1.023 422 I CA -0.727 60.478 61.300 -0.157 0.000 1.083 422 I CB 2.088 39.996 38.000 -0.153 0.000 1.245 422 I HN 0.055 nan 8.210 nan 0.000 0.434 423 S N 4.268 119.929 115.700 -0.064 0.000 2.525 423 S HA 0.915 5.385 4.470 0.000 0.000 0.278 423 S C 0.202 174.785 174.600 -0.028 0.000 1.234 423 S CA -0.171 58.005 58.200 -0.040 0.000 1.058 423 S CB 1.836 65.015 63.200 -0.035 0.000 0.983 423 S HN 1.233 nan 8.310 nan 0.000 0.495 424 G N 2.150 110.939 108.800 -0.019 0.000 2.525 424 G HA2 -0.115 3.845 3.960 0.000 0.000 0.685 424 G HA3 -0.115 3.845 3.960 0.000 0.000 0.685 424 G C 0.052 174.949 174.900 -0.005 0.000 1.290 424 G CA -0.417 44.676 45.100 -0.011 0.000 0.915 424 G HN 0.673 nan 8.290 nan 0.000 0.548 425 R N 0.633 121.133 120.500 -0.000 0.000 2.081 425 R HA -0.024 4.316 4.340 0.000 0.000 0.235 425 R C 2.597 178.904 176.300 0.011 0.000 1.131 425 R CA 2.121 58.225 56.100 0.006 0.000 0.960 425 R CB -0.368 29.936 30.300 0.008 0.000 0.856 425 R HN 0.822 nan 8.270 nan 0.000 0.436 426 E N 0.674 120.880 120.200 0.010 0.000 2.394 426 E HA -0.322 4.028 4.350 0.000 0.000 0.202 426 E C 1.755 178.380 176.600 0.040 0.000 1.029 426 E CA 1.166 57.579 56.400 0.022 0.000 0.855 426 E CB -0.235 29.477 29.700 0.020 0.000 0.770 426 E HN 0.443 nan 8.360 nan 0.000 0.527 427 Q N 1.001 120.817 119.800 0.026 0.000 2.046 427 Q HA -0.159 4.181 4.340 0.000 0.000 0.200 427 Q C 2.297 178.333 176.000 0.060 0.000 0.975 427 Q CA 1.455 57.277 55.803 0.032 0.000 0.836 427 Q CB -0.068 28.674 28.738 0.006 0.000 0.896 427 Q HN 0.475 nan 8.270 nan 0.000 0.428 428 L N 0.425 121.678 121.223 0.049 0.000 2.013 428 L HA -0.257 4.083 4.340 0.000 0.000 0.212 428 L C 2.651 179.581 176.870 0.099 0.000 1.073 428 L CA 1.257 56.133 54.840 0.060 0.000 0.753 428 L CB -0.887 41.194 42.059 0.037 0.000 0.890 428 L HN 0.278 nan 8.230 nan 0.000 0.432 429 A N -0.031 122.844 122.820 0.092 0.000 1.859 429 A HA -0.213 4.107 4.320 0.000 0.000 0.217 429 A C 2.355 180.134 177.584 0.325 0.000 1.198 429 A CA 2.376 54.505 52.037 0.152 0.000 0.629 429 A CB -1.097 17.941 19.000 0.063 0.000 0.830 429 A HN 0.200 nan 8.150 nan 0.000 0.446 430 V N -0.019 120.040 119.914 0.241 0.000 2.407 430 V HA -0.274 3.846 4.120 0.000 0.000 0.248 430 V C 2.670 178.906 176.094 0.237 0.000 1.055 430 V CA 2.271 64.718 62.300 0.246 0.000 1.049 430 V CB -0.851 31.093 31.823 0.202 0.000 0.662 430 V HN 0.524 nan 8.190 nan 0.000 0.455 431 R N 0.094 120.703 120.500 0.181 0.000 2.075 431 R HA -0.078 4.262 4.340 0.000 0.000 0.232 431 R C 2.470 178.868 176.300 0.164 0.000 1.126 431 R CA 1.395 57.583 56.100 0.146 0.000 0.963 431 R CB -0.611 29.747 30.300 0.098 0.000 0.858 431 R HN 0.520 nan 8.270 nan 0.000 0.435 432 A N 0.857 123.797 122.820 0.199 0.000 1.940 432 A HA -0.200 4.120 4.320 0.000 0.000 0.219 432 A C 1.976 179.674 177.584 0.190 0.000 1.176 432 A CA 1.159 53.317 52.037 0.202 0.000 0.631 432 A CB -0.662 18.495 19.000 0.262 0.000 0.814 432 A HN 0.388 nan 8.150 nan 0.000 0.446 433 F N 0.511 120.524 119.950 0.105 0.000 2.234 433 F HA -0.019 4.508 4.527 0.000 0.000 0.299 433 F C 2.459 178.212 175.800 -0.079 0.000 1.087 433 F CA 1.104 59.033 58.000 -0.118 0.000 1.340 433 F CB -0.042 38.873 39.000 -0.141 0.000 1.031 433 F HN 0.269 nan 8.300 nan 0.000 0.500 434 A N -0.098 122.900 122.820 0.296 0.000 1.897 434 A HA -0.154 4.166 4.320 0.000 0.000 0.215 434 A C 1.840 179.460 177.584 0.060 0.000 1.181 434 A CA 1.819 53.968 52.037 0.185 0.000 0.620 434 A CB -0.858 18.231 19.000 0.148 0.000 0.821 434 A HN 0.368 nan 8.150 nan 0.000 0.443 435 D N 0.229 120.655 120.400 0.043 0.000 2.178 435 D HA -0.005 4.635 4.640 0.000 0.000 0.202 435 D C 2.178 178.449 176.300 -0.050 0.000 0.974 435 D CA 1.254 55.255 54.000 0.002 0.000 0.841 435 D CB -0.399 40.412 40.800 0.019 0.000 0.953 435 D HN 0.407 nan 8.370 nan 0.000 0.478 436 A N 1.028 123.786 122.820 -0.103 0.000 1.873 436 A HA -0.186 4.134 4.320 0.000 0.000 0.218 436 A C 2.271 179.746 177.584 -0.182 0.000 1.193 436 A CA 1.166 53.088 52.037 -0.192 0.000 0.629 436 A CB -0.957 17.806 19.000 -0.396 0.000 0.826 436 A HN 0.273 nan 8.150 nan 0.000 0.447 437 L N -0.681 120.434 121.223 -0.179 0.000 2.349 437 L HA -0.162 4.178 4.340 0.000 0.000 0.220 437 L C 1.969 178.782 176.870 -0.094 0.000 1.130 437 L CA 1.110 55.868 54.840 -0.136 0.000 0.791 437 L CB -0.642 41.368 42.059 -0.081 0.000 0.918 437 L HN 0.485 nan 8.230 nan 0.000 0.444 438 E N -0.389 119.764 120.200 -0.078 0.000 2.512 438 E HA -0.097 4.253 4.350 0.000 0.000 0.195 438 E C 1.938 178.500 176.600 -0.062 0.000 1.083 438 E CA -0.036 56.326 56.400 -0.064 0.000 0.873 438 E CB 0.281 29.952 29.700 -0.048 0.000 0.897 438 E HN 0.245 nan 8.360 nan 0.000 0.514 439 V N 0.776 120.646 119.914 -0.074 0.000 2.719 439 V HA -0.163 3.957 4.120 0.000 0.000 0.252 439 V C 1.664 177.721 176.094 -0.062 0.000 1.065 439 V CA 0.831 63.090 62.300 -0.067 0.000 1.086 439 V CB -0.069 31.707 31.823 -0.079 0.000 0.700 439 V HN 0.283 nan 8.190 nan 0.000 0.467 440 I N 0.911 121.442 120.570 -0.065 0.000 2.233 440 I HA -0.022 4.148 4.170 0.000 0.000 0.243 440 I C 0.052 176.137 176.117 -0.053 0.000 1.093 440 I CA 1.332 62.597 61.300 -0.058 0.000 1.380 440 I CB -2.735 35.230 38.000 -0.059 0.000 1.067 440 I HN 0.337 nan 8.210 nan 0.000 0.413 441 P HA -0.126 nan 4.420 nan 0.000 0.216 441 P C 1.894 179.167 177.300 -0.044 0.000 1.153 441 P CA 1.458 64.530 63.100 -0.048 0.000 0.848 441 P CB -0.059 31.613 31.700 -0.046 0.000 0.787 442 R N -0.304 120.170 120.500 -0.043 0.000 2.070 442 R HA -0.122 4.218 4.340 0.000 0.000 0.233 442 R C 2.357 178.635 176.300 -0.037 0.000 1.137 442 R CA 2.483 58.560 56.100 -0.037 0.000 0.945 442 R CB -1.182 29.096 30.300 -0.036 0.000 0.845 442 R HN 0.222 nan 8.270 nan 0.000 0.430 443 T N -0.998 113.532 114.554 -0.040 0.000 2.915 443 T HA -0.054 4.297 4.350 0.000 0.000 0.269 443 T C 1.934 176.609 174.700 -0.041 0.000 1.071 443 T CA 1.053 63.130 62.100 -0.038 0.000 1.132 443 T CB -0.243 68.602 68.868 -0.038 0.000 0.878 443 T HN 0.212 nan 8.240 nan 0.000 0.479 444 L N 0.877 122.072 121.223 -0.048 0.000 2.083 444 L HA 0.014 4.354 4.340 0.000 0.000 0.209 444 L C 3.373 180.207 176.870 -0.061 0.000 1.083 444 L CA 1.302 56.108 54.840 -0.058 0.000 0.752 444 L CB -0.853 41.165 42.059 -0.067 0.000 0.899 444 L HN 0.411 nan 8.230 nan 0.000 0.433 445 A N -0.143 122.646 122.820 -0.051 0.000 1.877 445 A HA -0.232 4.088 4.320 0.000 0.000 0.216 445 A C 2.170 179.733 177.584 -0.035 0.000 1.186 445 A CA 1.687 53.697 52.037 -0.045 0.000 0.620 445 A CB -0.466 18.513 19.000 -0.035 0.000 0.822 445 A HN 0.418 nan 8.150 nan 0.000 0.443 446 E N -0.056 120.125 120.200 -0.031 0.000 2.033 446 E HA -0.230 4.120 4.350 0.000 0.000 0.199 446 E C 1.880 178.467 176.600 -0.021 0.000 1.011 446 E CA 1.494 57.880 56.400 -0.024 0.000 0.815 446 E CB -0.226 29.460 29.700 -0.024 0.000 0.755 446 E HN 0.590 nan 8.360 nan 0.000 0.451 447 N N 0.510 119.196 118.700 -0.024 0.000 2.149 447 N HA -0.155 4.585 4.740 0.000 0.000 0.188 447 N C 1.557 177.058 175.510 -0.015 0.000 1.019 447 N CA 1.242 54.281 53.050 -0.019 0.000 0.857 447 N CB -0.434 38.041 38.487 -0.021 0.000 0.997 447 N HN 0.153 nan 8.380 nan 0.000 0.426 448 A N -0.193 122.610 122.820 -0.027 0.000 2.015 448 A HA 0.227 4.547 4.320 0.000 0.000 0.219 448 A C 1.803 179.382 177.584 -0.007 0.000 1.163 448 A CA 1.782 53.805 52.037 -0.024 0.000 0.646 448 A CB -0.478 18.488 19.000 -0.056 0.000 0.806 448 A HN 0.418 nan 8.150 nan 0.000 0.448 449 G N -2.659 106.135 108.800 -0.010 0.000 2.201 449 G HA2 -0.153 3.807 3.960 0.000 0.000 0.212 449 G HA3 -0.153 3.807 3.960 0.000 0.000 0.212 449 G C 0.105 175.001 174.900 -0.006 0.000 0.994 449 G CA 0.070 45.167 45.100 -0.004 0.000 0.644 449 G HN 0.407 nan 8.290 nan 0.000 0.508 450 L N 1.215 122.431 121.223 -0.012 0.000 2.476 450 L HA 0.507 4.847 4.340 0.000 0.000 0.255 450 L C 0.779 177.643 176.870 -0.011 0.000 1.218 450 L CA -0.061 54.773 54.840 -0.011 0.000 0.819 450 L CB 0.362 42.411 42.059 -0.016 0.000 1.119 450 L HN 0.180 nan 8.230 nan 0.000 0.485 451 D N 0.220 120.615 120.400 -0.009 0.000 2.402 451 D HA 0.268 4.908 4.640 0.000 0.000 0.235 451 D C 0.880 177.174 176.300 -0.011 0.000 1.226 451 D CA 0.271 54.266 54.000 -0.008 0.000 0.918 451 D CB 1.134 41.931 40.800 -0.005 0.000 1.043 451 D HN 0.580 nan 8.370 nan 0.000 0.506 452 A N 4.708 127.520 122.820 -0.013 0.000 1.927 452 A HA -0.209 4.111 4.320 0.000 0.000 0.220 452 A C 2.175 179.751 177.584 -0.013 0.000 1.185 452 A CA 1.269 53.297 52.037 -0.016 0.000 0.639 452 A CB -0.555 18.434 19.000 -0.019 0.000 0.820 452 A HN 0.761 nan 8.150 nan 0.000 0.451 453 I N -1.147 119.417 120.570 -0.010 0.000 2.286 453 I HA -0.193 3.977 4.170 0.000 0.000 0.245 453 I C 2.532 178.646 176.117 -0.004 0.000 1.104 453 I CA 1.735 63.031 61.300 -0.007 0.000 1.397 453 I CB -0.575 37.422 38.000 -0.006 0.000 1.072 453 I HN 0.444 nan 8.210 nan 0.000 0.417 454 E N 2.210 122.408 120.200 -0.003 0.000 2.001 454 E HA -0.198 4.152 4.350 0.000 0.000 0.195 454 E C 2.203 178.803 176.600 0.000 0.000 1.002 454 E CA 1.607 58.007 56.400 -0.001 0.000 0.819 454 E CB -0.304 29.396 29.700 -0.001 0.000 0.769 454 E HN 0.308 nan 8.360 nan 0.000 0.454 455 I N 0.330 120.898 120.570 -0.003 0.000 2.229 455 I HA -0.301 3.869 4.170 0.000 0.000 0.250 455 I C 2.314 178.431 176.117 0.000 0.000 1.096 455 I CA 0.963 62.262 61.300 -0.003 0.000 1.358 455 I CB -0.436 37.558 38.000 -0.011 0.000 1.047 455 I HN 0.274 nan 8.210 nan 0.000 0.422 456 L N 0.158 121.379 121.223 -0.003 0.000 2.156 456 L HA -0.119 4.221 4.340 0.000 0.000 0.208 456 L C 2.326 179.200 176.870 0.006 0.000 1.095 456 L CA 1.417 56.255 54.840 -0.003 0.000 0.770 456 L CB -0.332 41.721 42.059 -0.010 0.000 0.914 456 L HN -0.024 nan 8.230 nan 0.000 0.439 457 V N -0.883 119.036 119.914 0.008 0.000 2.379 457 V HA -0.251 3.869 4.120 0.000 0.000 0.245 457 V C 2.470 178.577 176.094 0.022 0.000 1.044 457 V CA 1.524 63.832 62.300 0.013 0.000 1.036 457 V CB -0.730 31.099 31.823 0.010 0.000 0.664 457 V HN 0.388 nan 8.190 nan 0.000 0.453 458 K N 0.377 120.789 120.400 0.019 0.000 1.991 458 K HA -0.160 4.160 4.320 0.000 0.000 0.212 458 K C 2.082 178.708 176.600 0.042 0.000 1.049 458 K CA 1.767 58.068 56.287 0.023 0.000 0.932 458 K CB -0.654 31.856 32.500 0.016 0.000 0.717 458 K HN 0.371 nan 8.250 nan 0.000 0.441 459 V N 1.245 121.190 119.914 0.051 0.000 2.720 459 V HA -0.193 3.928 4.120 0.000 0.000 0.256 459 V C 2.219 178.410 176.094 0.163 0.000 1.082 459 V CA 1.476 63.837 62.300 0.102 0.000 1.101 459 V CB -0.587 31.280 31.823 0.074 0.000 0.693 459 V HN 0.285 nan 8.190 nan 0.000 0.479 460 R N -0.478 120.075 120.500 0.089 0.000 2.210 460 R HA 0.122 4.462 4.340 0.000 0.000 0.203 460 R C 2.280 178.637 176.300 0.095 0.000 1.010 460 R CA 0.935 57.084 56.100 0.082 0.000 1.008 460 R CB -0.142 30.177 30.300 0.032 0.000 0.923 460 R HN 0.506 nan 8.270 nan 0.000 0.469 461 A N 0.549 123.410 122.820 0.069 0.000 1.897 461 A HA 0.024 4.344 4.320 0.000 0.000 0.215 461 A C 2.048 179.659 177.584 0.044 0.000 1.181 461 A CA 1.277 53.343 52.037 0.049 0.000 0.620 461 A CB -0.374 18.643 19.000 0.029 0.000 0.821 461 A HN 0.355 nan 8.150 nan 0.000 0.443 462 A N -1.689 121.155 122.820 0.040 0.000 2.264 462 A HA -0.030 4.290 4.320 0.000 0.000 0.207 462 A C 1.320 178.813 177.584 -0.152 0.000 1.196 462 A CA 0.738 52.750 52.037 -0.041 0.000 0.778 462 A CB -0.702 18.264 19.000 -0.057 0.000 0.779 462 A HN 0.646 nan 8.150 nan 0.000 0.483 463 H N -1.245 117.827 119.070 0.003 0.000 2.674 463 H HA 0.323 4.879 4.556 0.000 0.000 0.274 463 H C 0.783 176.115 175.328 0.007 0.000 1.121 463 H CA 0.444 56.495 56.048 0.004 0.000 1.132 463 H CB 0.433 30.198 29.762 0.005 0.000 1.606 463 H HN 0.434 nan 8.280 nan 0.000 0.558 464 A N 1.680 124.544 122.820 0.074 0.000 3.052 464 A HA 0.186 4.506 4.320 0.000 0.000 0.266 464 A C 1.412 179.018 177.584 0.037 0.000 1.855 464 A CA 0.627 52.696 52.037 0.054 0.000 1.473 464 A CB -0.757 18.264 19.000 0.035 0.000 1.038 464 A HN 0.551 nan 8.150 nan 0.000 0.619 465 S N 0.176 115.904 115.700 0.047 0.000 2.378 465 S HA -0.349 4.121 4.470 0.000 0.000 0.240 465 S C 0.963 175.574 174.600 0.018 0.000 1.229 465 S CA 1.558 59.779 58.200 0.034 0.000 1.607 465 S CB -2.367 60.850 63.200 0.027 0.000 2.074 465 S HN 0.979 nan 8.310 nan 0.000 0.620 466 N N 3.360 122.063 118.700 0.006 0.000 2.185 466 N HA 0.421 5.161 4.740 0.000 0.000 0.243 466 N C 1.270 176.766 175.510 -0.024 0.000 1.276 466 N CA 0.396 53.441 53.050 -0.009 0.000 0.941 466 N CB -1.143 37.335 38.487 -0.016 0.000 1.129 466 N HN 0.748 nan 8.380 nan 0.000 0.417 467 G N -0.935 107.835 108.800 -0.051 0.000 2.563 467 G HA2 0.114 4.074 3.960 0.000 0.000 0.283 467 G HA3 0.114 4.074 3.960 0.000 0.000 0.283 467 G C 0.337 175.126 174.900 -0.186 0.000 1.309 467 G CA -0.241 44.804 45.100 -0.091 0.000 1.022 467 G HN 0.462 nan 8.290 nan 0.000 0.501 468 N N -0.884 117.597 118.700 -0.364 0.000 2.397 468 N HA 0.004 4.744 4.740 0.000 0.000 0.190 468 N C 1.486 176.912 175.510 -0.140 0.000 1.099 468 N CA 0.795 53.707 53.050 -0.230 0.000 0.876 468 N CB 0.153 38.508 38.487 -0.220 0.000 1.143 468 N HN 0.797 nan 8.380 nan 0.000 0.468 469 K N -1.785 118.530 120.400 -0.141 0.000 3.572 469 K HA -0.214 4.106 4.320 0.000 0.000 0.306 469 K C -0.003 176.702 176.600 0.175 0.000 1.286 469 K CA 1.658 58.050 56.287 0.175 0.000 1.010 469 K CB -2.014 30.544 32.500 0.096 0.000 1.268 469 K HN 0.211 nan 8.250 nan 0.000 0.438 470 c N 0.900 119.530 118.600 0.051 0.000 3.657 470 c HA 0.582 5.152 4.570 0.000 0.000 0.291 470 c C 0.659 174.763 174.090 0.023 0.000 1.572 470 c CA -0.039 56.315 56.329 0.042 0.000 1.818 470 c CB 0.394 42.909 42.510 0.008 0.000 2.903 470 c HN 0.584 nan 8.230 nan 0.000 0.632 471 A N 1.003 123.811 122.820 -0.020 0.000 2.343 471 A HA 0.653 4.973 4.320 0.000 0.000 0.305 471 A C 0.455 178.128 177.584 0.148 0.000 1.308 471 A CA 0.386 52.409 52.037 -0.023 0.000 0.949 471 A CB -0.184 18.672 19.000 -0.239 0.000 1.148 471 A HN 0.579 nan 8.150 nan 0.000 0.545 472 G N 0.831 109.675 108.800 0.073 0.000 2.680 472 G HA2 0.540 4.500 3.960 0.000 0.000 0.290 472 G HA3 0.540 4.500 3.960 0.000 0.000 0.290 472 G C -1.078 173.831 174.900 0.015 0.000 1.355 472 G CA -0.761 44.374 45.100 0.058 0.000 0.903 472 G HN 0.965 nan 8.290 nan 0.000 0.474 473 L N 1.109 122.328 121.223 -0.007 0.000 2.315 473 L HA 0.409 4.749 4.340 0.000 0.000 0.283 473 L C -0.045 176.783 176.870 -0.069 0.000 1.089 473 L CA -0.904 53.917 54.840 -0.032 0.000 0.833 473 L CB 0.543 42.578 42.059 -0.040 0.000 1.170 473 L HN 0.410 nan 8.230 nan 0.000 0.442 474 N N 3.776 122.436 118.700 -0.066 0.000 2.408 474 N HA 0.066 4.806 4.740 0.000 0.000 0.257 474 N C 0.982 176.385 175.510 -0.179 0.000 1.064 474 N CA 0.113 53.093 53.050 -0.118 0.000 0.952 474 N CB 1.531 40.000 38.487 -0.031 0.000 1.093 474 N HN 0.669 nan 8.380 nan 0.000 0.490 475 V N 2.129 121.820 119.914 -0.371 0.000 3.305 475 V HA 0.010 4.130 4.120 0.000 0.000 0.269 475 V C 1.059 176.980 176.094 -0.289 0.000 1.157 475 V CA 1.035 63.122 62.300 -0.356 0.000 1.157 475 V CB -0.970 30.601 31.823 -0.419 0.000 0.772 475 V HN 0.350 nan 8.190 nan 0.000 0.498 476 F N 1.305 121.257 119.950 0.002 0.000 2.208 476 F HA 0.168 4.696 4.527 0.000 0.000 0.282 476 F C 2.669 178.470 175.800 0.002 0.000 1.071 476 F CA 1.118 59.119 58.000 0.001 0.000 1.228 476 F CB -1.714 37.287 39.000 0.001 0.000 1.088 476 F HN 0.009 nan 8.300 nan 0.000 0.512 477 T N -0.174 114.493 114.554 0.188 0.000 2.564 477 T HA -0.128 4.222 4.350 0.000 0.000 0.264 477 T C 2.046 176.780 174.700 0.057 0.000 1.100 477 T CA 2.584 64.741 62.100 0.095 0.000 1.171 477 T CB -1.226 67.677 68.868 0.059 0.000 0.863 477 T HN 0.630 nan 8.240 nan 0.000 0.430 478 G N 0.958 109.772 108.800 0.023 0.000 2.254 478 G HA2 0.049 4.009 3.960 0.000 0.000 0.225 478 G HA3 0.049 4.009 3.960 0.000 0.000 0.225 478 G C 0.124 175.025 174.900 0.001 0.000 1.003 478 G CA 0.121 45.226 45.100 0.008 0.000 0.622 478 G HN 1.085 nan 8.290 nan 0.000 0.507 479 A N -0.444 122.380 122.820 0.006 0.000 2.350 479 A HA 0.884 5.205 4.320 0.000 0.000 0.318 479 A C 0.249 177.834 177.584 0.001 0.000 1.132 479 A CA 0.206 52.245 52.037 0.004 0.000 0.811 479 A CB 1.847 20.853 19.000 0.009 0.000 1.313 479 A HN 1.688 nan 8.150 nan 0.000 0.454 480 V N 0.905 120.820 119.914 0.002 0.000 2.508 480 V HA 0.401 4.521 4.120 0.000 0.000 0.281 480 V C -0.064 176.032 176.094 0.003 0.000 1.041 480 V CA 0.434 62.736 62.300 0.004 0.000 1.016 480 V CB 0.158 31.988 31.823 0.011 0.000 0.984 480 V HN 0.942 nan 8.190 nan 0.000 0.478 481 E N 3.923 124.125 120.200 0.003 0.000 2.449 481 E HA 0.383 4.733 4.350 0.000 0.000 0.254 481 E C -1.304 175.296 176.600 -0.001 0.000 0.907 481 E CA -0.928 55.473 56.400 0.003 0.000 0.840 481 E CB 1.340 31.047 29.700 0.012 0.000 1.459 481 E HN 0.716 nan 8.360 nan 0.000 0.407 482 D N 1.395 121.794 120.400 -0.001 0.000 2.428 482 D HA 0.104 4.744 4.640 0.000 0.000 0.221 482 D C 0.726 177.030 176.300 0.007 0.000 1.123 482 D CA -0.137 53.860 54.000 -0.004 0.000 0.869 482 D CB 0.789 41.583 40.800 -0.010 0.000 1.032 482 D HN 0.328 nan 8.370 nan 0.000 0.506 483 M N 1.969 121.576 119.600 0.011 0.000 2.229 483 M HA -0.126 4.354 4.480 0.000 0.000 0.264 483 M C 2.237 178.546 176.300 0.016 0.000 1.063 483 M CA 0.633 55.943 55.300 0.016 0.000 1.114 483 M CB -0.849 31.762 32.600 0.018 0.000 1.387 483 M HN 0.510 nan 8.290 nan 0.000 0.420 484 c N 0.557 119.165 118.600 0.014 0.000 2.425 484 c HA -0.142 4.428 4.570 0.000 0.000 0.277 484 c C 2.550 176.647 174.090 0.012 0.000 1.280 484 c CA 0.917 57.253 56.329 0.012 0.000 1.744 484 c CB -0.939 41.577 42.510 0.009 0.000 1.989 484 c HN 0.566 nan 8.230 nan 0.000 0.491 485 E N 0.426 120.632 120.200 0.011 0.000 2.230 485 E HA -0.055 4.295 4.350 0.000 0.000 0.192 485 E C 1.252 177.862 176.600 0.017 0.000 0.987 485 E CA 0.516 56.923 56.400 0.011 0.000 0.841 485 E CB -0.099 29.606 29.700 0.007 0.000 0.783 485 E HN 0.577 nan 8.360 nan 0.000 0.481 486 N N 0.118 118.831 118.700 0.022 0.000 2.521 486 N HA 0.016 4.756 4.740 0.000 0.000 0.188 486 N C 0.563 176.095 175.510 0.036 0.000 1.146 486 N CA 0.871 53.941 53.050 0.033 0.000 0.893 486 N CB 0.686 39.197 38.487 0.041 0.000 0.975 486 N HN 0.222 nan 8.380 nan 0.000 0.451 487 G N -0.314 108.502 108.800 0.027 0.000 2.198 487 G HA2 -0.248 3.712 3.960 0.000 0.000 0.257 487 G HA3 -0.248 3.712 3.960 0.000 0.000 0.257 487 G C -0.371 174.546 174.900 0.029 0.000 1.042 487 G CA 0.115 45.230 45.100 0.026 0.000 0.791 487 G HN 0.191 nan 8.290 nan 0.000 0.502 488 V N 1.007 120.937 119.914 0.027 0.000 2.288 488 V HA 0.601 4.721 4.120 0.000 0.000 0.266 488 V C 0.615 176.719 176.094 0.016 0.000 1.048 488 V CA -0.085 62.229 62.300 0.024 0.000 0.842 488 V CB 1.017 32.852 31.823 0.019 0.000 1.064 488 V HN 1.054 nan 8.190 nan 0.000 0.472 489 V N 1.876 121.799 119.914 0.015 0.000 3.007 489 V HA 0.835 4.955 4.120 0.000 0.000 0.311 489 V C -0.881 175.218 176.094 0.008 0.000 1.120 489 V CA -0.858 61.449 62.300 0.011 0.000 0.980 489 V CB 2.538 34.368 31.823 0.011 0.000 1.033 489 V HN 0.704 nan 8.190 nan 0.000 0.429 490 E N 2.361 122.564 120.200 0.006 0.000 2.304 490 E HA 0.527 4.877 4.350 0.000 0.000 0.277 490 E C -2.995 173.606 176.600 0.002 0.000 0.898 490 E CA -1.914 54.488 56.400 0.003 0.000 0.764 490 E CB 2.919 32.619 29.700 -0.000 0.000 1.216 490 E HN 0.599 nan 8.360 nan 0.000 0.419 491 P HA -0.127 nan 4.420 nan 0.000 0.269 491 P C 0.355 177.654 177.300 -0.001 0.000 1.205 491 P CA -0.115 62.985 63.100 0.000 0.000 0.780 491 P CB 0.593 32.292 31.700 -0.001 0.000 0.858 492 L N 2.508 123.730 121.223 -0.001 0.000 2.156 492 L HA -0.037 4.303 4.340 0.000 0.000 0.208 492 L C 2.316 179.184 176.870 -0.003 0.000 1.095 492 L CA 1.618 56.457 54.840 -0.002 0.000 0.770 492 L CB -0.774 41.284 42.059 -0.002 0.000 0.914 492 L HN 0.248 nan 8.230 nan 0.000 0.439 493 R N -1.088 119.410 120.500 -0.003 0.000 2.170 493 R HA -0.152 4.189 4.340 0.000 0.000 0.242 493 R C 1.997 178.295 176.300 -0.004 0.000 1.145 493 R CA 1.510 57.608 56.100 -0.004 0.000 0.984 493 R CB -0.204 30.094 30.300 -0.003 0.000 0.869 493 R HN 0.357 nan 8.270 nan 0.000 0.455 494 V N 0.889 120.800 119.914 -0.005 0.000 2.427 494 V HA -0.213 3.907 4.120 0.000 0.000 0.248 494 V C 2.084 178.173 176.094 -0.009 0.000 1.051 494 V CA 1.654 63.950 62.300 -0.007 0.000 1.048 494 V CB -0.205 31.614 31.823 -0.007 0.000 0.666 494 V HN 0.278 nan 8.190 nan 0.000 0.456 495 K N 0.134 120.529 120.400 -0.008 0.000 2.262 495 K HA -0.003 4.317 4.320 0.000 0.000 0.200 495 K C 2.258 178.856 176.600 -0.004 0.000 1.049 495 K CA 1.452 57.734 56.287 -0.009 0.000 0.979 495 K CB -0.475 32.020 32.500 -0.009 0.000 0.773 495 K HN 0.688 nan 8.250 nan 0.000 0.474 496 T N -0.231 114.321 114.554 -0.004 0.000 2.698 496 T HA -0.190 4.160 4.350 0.000 0.000 0.260 496 T C 2.174 176.874 174.700 0.001 0.000 1.044 496 T CA 1.167 63.266 62.100 -0.002 0.000 1.149 496 T CB -0.291 68.574 68.868 -0.005 0.000 0.864 496 T HN -0.003 nan 8.240 nan 0.000 0.419 497 Q N 2.093 121.892 119.800 -0.002 0.000 2.045 497 Q HA -0.019 4.321 4.340 0.000 0.000 0.206 497 Q C 2.456 178.455 176.000 -0.001 0.000 0.991 497 Q CA 2.431 58.233 55.803 -0.001 0.000 0.851 497 Q CB -1.138 27.598 28.738 -0.003 0.000 0.911 497 Q HN 0.690 nan 8.270 nan 0.000 0.418 498 A N 0.011 122.827 122.820 -0.006 0.000 1.883 498 A HA -0.159 4.161 4.320 0.000 0.000 0.217 498 A C 2.197 179.774 177.584 -0.012 0.000 1.186 498 A CA 1.652 53.681 52.037 -0.013 0.000 0.624 498 A CB -0.796 18.192 19.000 -0.020 0.000 0.822 498 A HN 0.506 nan 8.150 nan 0.000 0.444 499 I N -1.013 119.558 120.570 0.001 0.000 2.394 499 I HA -0.245 3.926 4.170 0.000 0.000 0.251 499 I C 2.765 178.918 176.117 0.059 0.000 1.136 499 I CA 1.509 62.825 61.300 0.027 0.000 1.425 499 I CB -0.132 37.904 38.000 0.060 0.000 1.079 499 I HN 0.509 nan 8.210 nan 0.000 0.425 500 Q N 0.223 120.046 119.800 0.039 0.000 2.163 500 Q HA -0.128 4.212 4.340 0.000 0.000 0.198 500 Q C 2.315 178.335 176.000 0.033 0.000 0.954 500 Q CA 1.538 57.366 55.803 0.042 0.000 0.851 500 Q CB 0.187 28.938 28.738 0.022 0.000 0.928 500 Q HN 0.533 nan 8.270 nan 0.000 0.459 501 S N 0.046 115.756 115.700 0.017 0.000 2.423 501 S HA -0.045 4.425 4.470 0.000 0.000 0.231 501 S C 1.957 176.561 174.600 0.008 0.000 1.014 501 S CA 0.762 58.970 58.200 0.012 0.000 0.965 501 S CB -0.156 63.047 63.200 0.005 0.000 0.785 501 S HN 0.419 nan 8.310 nan 0.000 0.495 502 A N 1.799 124.616 122.820 -0.005 0.000 1.929 502 A HA 0.442 4.762 4.320 0.000 0.000 0.216 502 A C 2.423 179.998 177.584 -0.015 0.000 1.176 502 A CA 1.294 53.312 52.037 -0.032 0.000 0.628 502 A CB -1.157 17.794 19.000 -0.081 0.000 0.816 502 A HN 0.680 nan 8.150 nan 0.000 0.444 503 A N -0.063 122.779 122.820 0.036 0.000 1.854 503 A HA -0.097 4.223 4.320 0.000 0.000 0.214 503 A C 1.935 179.583 177.584 0.107 0.000 1.192 503 A CA 1.391 53.495 52.037 0.111 0.000 0.611 503 A CB -0.513 18.613 19.000 0.209 0.000 0.832 503 A HN 0.554 nan 8.150 nan 0.000 0.442 504 E N 0.335 120.580 120.200 0.076 0.000 2.058 504 E HA -0.187 4.163 4.350 0.000 0.000 0.194 504 E C 2.464 179.101 176.600 0.062 0.000 0.997 504 E CA 1.705 58.144 56.400 0.066 0.000 0.801 504 E CB -0.249 29.477 29.700 0.044 0.000 0.746 504 E HN 0.764 nan 8.360 nan 0.000 0.450 505 S N 0.879 116.607 115.700 0.048 0.000 2.357 505 S HA -0.161 4.309 4.470 0.000 0.000 0.221 505 S C 2.367 177.000 174.600 0.055 0.000 1.031 505 S CA 1.853 60.078 58.200 0.042 0.000 0.982 505 S CB -0.866 62.348 63.200 0.024 0.000 0.853 505 S HN 0.370 nan 8.310 nan 0.000 0.458 506 T N -0.112 114.480 114.554 0.063 0.000 2.881 506 T HA -0.034 4.316 4.350 0.000 0.000 0.270 506 T C 1.600 176.384 174.700 0.139 0.000 1.068 506 T CA 1.406 63.561 62.100 0.091 0.000 1.131 506 T CB -0.666 68.259 68.868 0.096 0.000 0.871 506 T HN 0.607 nan 8.240 nan 0.000 0.479 507 E N 1.045 121.338 120.200 0.155 0.000 2.051 507 E HA -0.105 4.246 4.350 0.000 0.000 0.192 507 E C 2.271 178.928 176.600 0.095 0.000 0.991 507 E CA 1.676 58.169 56.400 0.155 0.000 0.799 507 E CB -0.312 29.478 29.700 0.150 0.000 0.748 507 E HN 0.787 nan 8.360 nan 0.000 0.449 508 M N 0.185 119.831 119.600 0.076 0.000 2.229 508 M HA -0.104 4.376 4.480 0.000 0.000 0.264 508 M C 1.887 178.218 176.300 0.052 0.000 1.063 508 M CA 1.442 56.776 55.300 0.057 0.000 1.114 508 M CB -0.089 32.539 32.600 0.047 0.000 1.387 508 M HN 0.047 nan 8.290 nan 0.000 0.420 509 L N 0.779 122.035 121.223 0.055 0.000 2.056 509 L HA -0.143 4.197 4.340 0.000 0.000 0.207 509 L C 2.471 179.367 176.870 0.044 0.000 1.078 509 L CA 1.261 56.130 54.840 0.048 0.000 0.749 509 L CB -0.590 41.495 42.059 0.043 0.000 0.901 509 L HN 0.446 nan 8.230 nan 0.000 0.433 510 L N -0.822 120.429 121.223 0.046 0.000 2.275 510 L HA -0.155 4.185 4.340 0.000 0.000 0.215 510 L C 2.479 179.362 176.870 0.022 0.000 1.119 510 L CA 0.790 55.646 54.840 0.027 0.000 0.790 510 L CB -0.415 41.654 42.059 0.017 0.000 0.919 510 L HN 0.198 nan 8.230 nan 0.000 0.443 511 R N -0.179 120.342 120.500 0.035 0.000 2.276 511 R HA 0.097 4.437 4.340 0.000 0.000 0.203 511 R C 0.410 176.729 176.300 0.032 0.000 1.017 511 R CA 0.284 56.407 56.100 0.038 0.000 1.010 511 R CB -0.006 30.320 30.300 0.044 0.000 0.900 511 R HN 0.266 nan 8.270 nan 0.000 0.469 512 I N 1.844 122.433 120.570 0.031 0.000 2.395 512 I HA -0.034 4.136 4.170 0.000 0.000 0.289 512 I C 0.591 176.724 176.117 0.027 0.000 1.023 512 I CA 0.024 61.343 61.300 0.033 0.000 1.350 512 I CB 1.294 39.320 38.000 0.043 0.000 1.409 512 I HN 0.101 nan 8.210 nan 0.000 0.507 513 D N 3.023 123.437 120.400 0.025 0.000 2.502 513 D HA 0.101 4.741 4.640 0.000 0.000 0.232 513 D C -0.046 176.274 176.300 0.033 0.000 1.137 513 D CA 0.031 54.042 54.000 0.020 0.000 0.827 513 D CB 0.477 41.277 40.800 0.001 0.000 1.141 513 D HN 0.275 nan 8.370 nan 0.000 0.517 514 D N 0.293 120.713 120.400 0.033 0.000 2.819 514 D HA 0.451 5.091 4.640 0.000 0.000 0.232 514 D C -1.117 175.199 176.300 0.025 0.000 1.160 514 D CA -0.581 53.437 54.000 0.031 0.000 0.858 514 D CB 2.848 43.656 40.800 0.013 0.000 1.610 514 D HN -0.173 nan 8.370 nan 0.000 0.481 515 V N 3.002 122.923 119.914 0.012 0.000 2.914 515 V HA 0.586 4.706 4.120 0.000 0.000 0.314 515 V C 0.095 176.123 176.094 -0.110 0.000 1.084 515 V CA -0.770 61.514 62.300 -0.025 0.000 0.963 515 V CB 2.170 33.998 31.823 0.009 0.000 1.025 515 V HN 0.492 nan 8.190 nan 0.000 0.432 516 I N 2.760 123.265 120.570 -0.108 0.000 2.698 516 I HA 0.551 4.721 4.170 0.000 0.000 0.276 516 I C 0.227 176.262 176.117 -0.136 0.000 1.166 516 I CA -0.232 60.990 61.300 -0.129 0.000 1.101 516 I CB 1.269 39.223 38.000 -0.078 0.000 1.305 516 I HN 0.707 nan 8.210 nan 0.000 0.526 517 A N 3.972 126.670 122.820 -0.204 0.000 2.301 517 A HA 0.889 5.209 4.320 0.000 0.000 0.298 517 A C 0.156 177.662 177.584 -0.129 0.000 1.185 517 A CA -0.161 51.776 52.037 -0.167 0.000 0.830 517 A CB 0.761 19.633 19.000 -0.212 0.000 1.112 517 A HN 0.651 nan 8.150 nan 0.000 0.508 518 A N 1.619 124.388 122.820 -0.086 0.000 2.312 518 A HA 0.844 5.164 4.320 0.000 0.000 0.310 518 A C 0.346 177.901 177.584 -0.049 0.000 1.139 518 A CA -0.062 51.937 52.037 -0.064 0.000 0.886 518 A CB 0.451 19.422 19.000 -0.049 0.000 1.350 518 A HN 1.222 nan 8.150 nan 0.000 0.479 519 E N 0.000 120.178 120.200 -0.037 0.000 2.725 519 E HA 0.000 4.350 4.350 0.000 0.000 0.291 519 E CA 0.000 56.384 56.400 -0.026 0.000 0.976 519 E CB 0.000 29.686 29.700 -0.022 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440