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_C DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXETASEMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.483 175.510 -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 -0.026 0.000 1.341 12 M N 0.220 119.782 119.600 -0.062 0.000 1.778 12 M HA 0.238 4.718 4.480 -0.000 0.000 0.200 12 M C -0.541 175.712 176.300 -0.078 0.000 1.294 12 M CA 0.342 55.608 55.300 -0.057 0.000 0.913 12 M CB 0.918 33.487 32.600 -0.051 0.000 1.645 12 M HN 0.034 nan 8.290 nan 0.000 0.598 13 K N 1.331 121.651 120.400 -0.134 0.000 2.471 13 K HA 0.608 4.927 4.320 -0.000 0.000 0.252 13 K C -1.080 175.301 176.600 -0.363 0.000 0.938 13 K CA -0.460 55.691 56.287 -0.227 0.000 0.796 13 K CB 3.221 35.568 32.500 -0.256 0.000 1.161 13 K HN 0.028 nan 8.250 nan 0.000 0.425 14 R N 2.601 122.878 120.500 -0.373 0.000 2.604 14 R HA 0.378 4.718 4.340 -0.000 0.000 0.281 14 R C -1.679 174.471 176.300 -0.250 0.000 1.020 14 R CA -0.602 55.285 56.100 -0.355 0.000 0.899 14 R CB 1.001 31.215 30.300 -0.142 0.000 1.205 14 R HN 0.420 nan 8.270 nan 0.000 0.450 15 Y N 3.486 123.779 120.300 -0.011 0.000 2.352 15 Y HA 0.469 5.019 4.550 -0.000 0.000 0.339 15 Y C 0.068 175.966 175.900 -0.003 0.000 0.992 15 Y CA -1.235 56.861 58.100 -0.006 0.000 1.100 15 Y CB 1.902 40.361 38.460 -0.002 0.000 1.192 15 Y HN 0.308 nan 8.280 nan 0.000 0.458 16 M N 2.171 121.868 119.600 0.162 0.000 2.238 16 M HA 0.394 4.874 4.480 -0.000 0.000 0.350 16 M C 1.087 177.419 176.300 0.054 0.000 1.138 16 M CA -0.128 55.219 55.300 0.079 0.000 1.040 16 M CB 1.035 33.667 32.600 0.054 0.000 1.639 16 M HN 0.921 nan 8.290 nan 0.000 0.451 17 G N 4.163 112.984 108.800 0.034 0.000 2.690 17 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.334 17 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.334 17 G C 0.980 175.883 174.900 0.005 0.000 1.250 17 G CA 1.041 46.147 45.100 0.009 0.000 0.994 17 G HN 0.727 nan 8.290 nan 0.000 0.549 18 R N 0.692 121.188 120.500 -0.006 0.000 2.241 18 R HA 0.076 4.416 4.340 -0.000 0.000 0.224 18 R C 2.121 178.414 176.300 -0.011 0.000 1.101 18 R CA 1.423 57.514 56.100 -0.014 0.000 0.995 18 R CB -0.251 30.038 30.300 -0.019 0.000 0.870 18 R HN 0.497 nan 8.270 nan 0.000 0.463 19 D N 0.112 120.510 120.400 -0.003 0.000 2.137 19 D HA 0.002 4.642 4.640 -0.000 0.000 0.202 19 D C 1.787 178.084 176.300 -0.004 0.000 0.970 19 D CA 1.377 55.362 54.000 -0.024 0.000 0.837 19 D CB -0.115 40.672 40.800 -0.022 0.000 0.981 19 D HN 0.211 nan 8.370 nan 0.000 0.475 20 A N 0.426 123.285 122.820 0.065 0.000 1.930 20 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 20 A C 2.104 179.733 177.584 0.075 0.000 1.175 20 A CA 1.263 53.371 52.037 0.118 0.000 0.627 20 A CB -0.457 18.619 19.000 0.127 0.000 0.815 20 A HN 0.178 nan 8.150 nan 0.000 0.443 21 Q N -1.066 118.756 119.800 0.036 0.000 2.049 21 Q HA -0.135 4.205 4.340 -0.000 0.000 0.198 21 Q C 2.358 178.366 176.000 0.012 0.000 0.971 21 Q CA 1.608 57.424 55.803 0.021 0.000 0.833 21 Q CB -0.144 28.593 28.738 -0.002 0.000 0.896 21 Q HN 0.670 nan 8.270 nan 0.000 0.434 22 R N 0.009 120.507 120.500 -0.003 0.000 2.096 22 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 22 R C 2.082 178.375 176.300 -0.012 0.000 1.127 22 R CA 1.400 57.490 56.100 -0.016 0.000 0.968 22 R CB -0.103 30.179 30.300 -0.031 0.000 0.861 22 R HN 0.170 nan 8.270 nan 0.000 0.440 23 M N 0.941 120.541 119.600 -0.000 0.000 2.080 23 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 23 M C 1.401 177.749 176.300 0.079 0.000 1.068 23 M CA 1.830 57.159 55.300 0.047 0.000 1.109 23 M CB -0.254 32.393 32.600 0.079 0.000 1.342 23 M HN 0.190 nan 8.290 nan 0.000 0.405 24 N N -0.240 118.506 118.700 0.076 0.000 2.207 24 N HA 0.002 4.742 4.740 -0.000 0.000 0.182 24 N C 1.848 177.339 175.510 -0.031 0.000 1.020 24 N CA 1.473 54.542 53.050 0.032 0.000 0.858 24 N CB -0.386 38.142 38.487 0.069 0.000 0.991 24 N HN 0.414 nan 8.380 nan 0.000 0.427 25 I N 0.909 121.472 120.570 -0.011 0.000 2.361 25 I HA -0.216 3.953 4.170 -0.000 0.000 0.251 25 I C 2.237 178.330 176.117 -0.039 0.000 1.133 25 I CA 0.771 62.060 61.300 -0.018 0.000 1.413 25 I CB -0.122 37.874 38.000 -0.007 0.000 1.073 25 I HN 0.078 nan 8.210 nan 0.000 0.424 26 L N 0.758 121.953 121.223 -0.046 0.000 2.068 26 L HA -0.042 4.298 4.340 -0.000 0.000 0.204 26 L C 2.715 179.527 176.870 -0.097 0.000 1.076 26 L CA 1.454 56.261 54.840 -0.055 0.000 0.753 26 L CB -0.332 41.703 42.059 -0.040 0.000 0.910 26 L HN 0.132 nan 8.230 nan 0.000 0.439 27 A N -0.237 122.479 122.820 -0.173 0.000 1.940 27 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 27 A C 2.243 179.694 177.584 -0.223 0.000 1.176 27 A CA 1.729 53.570 52.037 -0.327 0.000 0.631 27 A CB -1.508 16.940 19.000 -0.919 0.000 0.814 27 A HN 0.556 nan 8.150 nan 0.000 0.446 28 G N -0.507 108.199 108.800 -0.157 0.000 2.414 28 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 28 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 28 G C 1.676 176.531 174.900 -0.074 0.000 1.188 28 G CA 0.742 45.783 45.100 -0.097 0.000 0.783 28 G HN 0.571 nan 8.290 nan 0.000 0.537 29 R N -0.238 120.225 120.500 -0.063 0.000 2.200 29 R HA 0.059 4.399 4.340 -0.000 0.000 0.234 29 R C 2.359 178.630 176.300 -0.049 0.000 1.127 29 R CA 0.684 56.754 56.100 -0.049 0.000 0.989 29 R CB -0.278 29.997 30.300 -0.040 0.000 0.869 29 R HN 0.398 nan 8.270 nan 0.000 0.459 30 I N 0.752 121.287 120.570 -0.058 0.000 2.480 30 I HA -0.161 4.008 4.170 -0.000 0.000 0.251 30 I C 2.221 178.312 176.117 -0.042 0.000 1.124 30 I CA 0.824 62.095 61.300 -0.048 0.000 1.444 30 I CB 0.021 37.990 38.000 -0.051 0.000 1.098 30 I HN 0.133 nan 8.210 nan 0.000 0.428 31 I N -1.423 119.117 120.570 -0.049 0.000 2.928 31 I HA 0.018 4.188 4.170 -0.000 0.000 0.266 31 I C 2.435 178.532 176.117 -0.035 0.000 1.234 31 I CA 0.923 62.201 61.300 -0.037 0.000 1.483 31 I CB -0.631 37.347 38.000 -0.037 0.000 1.097 31 I HN 0.006 nan 8.210 nan 0.000 0.455 32 A N 1.964 124.760 122.820 -0.040 0.000 1.872 32 A HA -0.135 4.185 4.320 -0.000 0.000 0.214 32 A C 2.158 179.721 177.584 -0.034 0.000 1.187 32 A CA 1.407 53.420 52.037 -0.039 0.000 0.614 32 A CB -0.647 18.326 19.000 -0.044 0.000 0.826 32 A HN 0.491 nan 8.150 nan 0.000 0.442 33 E N -0.845 119.335 120.200 -0.033 0.000 2.472 33 E HA -0.075 4.275 4.350 -0.000 0.000 0.200 33 E C 1.415 178.000 176.600 -0.024 0.000 1.046 33 E CA 0.985 57.368 56.400 -0.029 0.000 0.871 33 E CB -0.135 29.549 29.700 -0.027 0.000 0.806 33 E HN 0.514 nan 8.360 nan 0.000 0.533 34 T N -0.612 113.927 114.554 -0.024 0.000 3.067 34 T HA -0.038 4.311 4.350 -0.000 0.000 0.261 34 T C 1.524 176.213 174.700 -0.019 0.000 1.110 34 T CA 0.978 63.066 62.100 -0.020 0.000 1.113 34 T CB 0.382 69.239 68.868 -0.019 0.000 0.917 34 T HN 0.181 nan 8.240 nan 0.000 0.499 35 V N -2.361 117.540 119.914 -0.021 0.000 3.502 35 V HA 0.417 4.536 4.120 -0.000 0.000 0.288 35 V C 1.859 177.940 176.094 -0.022 0.000 1.461 35 V CA -0.256 62.032 62.300 -0.020 0.000 1.029 35 V CB -0.320 31.491 31.823 -0.020 0.000 0.843 35 V HN 0.090 nan 8.190 nan 0.000 0.438 36 R N 2.300 122.785 120.500 -0.025 0.000 2.204 36 R HA -0.174 4.166 4.340 -0.000 0.000 0.253 36 R C 2.358 178.644 176.300 -0.023 0.000 1.172 36 R CA 2.033 58.117 56.100 -0.027 0.000 0.994 36 R CB -0.294 29.989 30.300 -0.028 0.000 0.874 36 R HN 0.812 nan 8.270 nan 0.000 0.462 37 S N -1.057 114.632 115.700 -0.019 0.000 2.562 37 S HA -0.052 4.418 4.470 -0.000 0.000 0.221 37 S C 1.665 176.257 174.600 -0.013 0.000 0.975 37 S CA 0.922 59.113 58.200 -0.015 0.000 0.918 37 S CB 0.257 63.450 63.200 -0.013 0.000 0.772 37 S HN 0.393 nan 8.310 nan 0.000 0.531 38 T N -0.656 113.890 114.554 -0.014 0.000 3.086 38 T HA 0.346 4.695 4.350 -0.000 0.000 0.250 38 T C 0.341 175.034 174.700 -0.011 0.000 1.074 38 T CA -0.449 61.646 62.100 -0.010 0.000 0.988 38 T CB -0.473 68.389 68.868 -0.009 0.000 0.988 38 T HN 0.355 nan 8.240 nan 0.000 0.530 39 L N 2.289 123.501 121.223 -0.018 0.000 2.313 39 L HA 0.568 4.908 4.340 -0.000 0.000 0.282 39 L C 0.725 177.579 176.870 -0.026 0.000 1.092 39 L CA 1.146 55.972 54.840 -0.023 0.000 0.831 39 L CB -0.191 41.850 42.059 -0.030 0.000 1.159 39 L HN 0.657 nan 8.230 nan 0.000 0.442 40 G N 4.117 112.902 108.800 -0.026 0.000 2.661 40 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.685 40 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.685 40 G C -2.621 172.272 174.900 -0.013 0.000 1.298 40 G CA -0.454 44.624 45.100 -0.036 0.000 0.855 40 G HN 0.453 nan 8.290 nan 0.000 0.560 41 P HA 0.070 nan 4.420 nan 0.000 0.218 41 P C 1.275 178.621 177.300 0.077 0.000 1.152 41 P CA 1.146 64.285 63.100 0.065 0.000 0.826 41 P CB 0.146 31.926 31.700 0.133 0.000 0.790 42 K N 0.370 120.789 120.400 0.031 0.000 2.627 42 K HA 0.256 4.576 4.320 -0.000 0.000 0.212 42 K C 0.935 177.545 176.600 0.017 0.000 1.041 42 K CA 0.062 56.375 56.287 0.042 0.000 1.205 42 K CB -0.450 32.063 32.500 0.021 0.000 0.936 42 K HN 0.110 nan 8.250 nan 0.000 0.489 43 G N 0.401 109.210 108.800 0.014 0.000 2.434 43 G HA2 0.494 4.454 3.960 -0.000 0.000 0.330 43 G HA3 0.494 4.454 3.960 -0.000 0.000 0.330 43 G C -0.117 174.790 174.900 0.010 0.000 1.155 43 G CA -0.566 44.536 45.100 0.005 0.000 0.917 43 G HN -0.050 nan 8.290 nan 0.000 0.493 44 M N 0.495 120.098 119.600 0.004 0.000 2.573 44 M HA 0.383 4.863 4.480 -0.000 0.000 0.309 44 M C -0.862 175.438 176.300 0.000 0.000 1.202 44 M CA -0.676 54.626 55.300 0.004 0.000 0.975 44 M CB 1.750 34.350 32.600 0.000 0.000 1.600 44 M HN 0.352 nan 8.290 nan 0.000 0.479 45 D N 1.256 121.655 120.400 -0.001 0.000 2.217 45 D HA 0.375 5.015 4.640 -0.000 0.000 0.248 45 D C -0.372 175.922 176.300 -0.011 0.000 1.008 45 D CA -0.239 53.758 54.000 -0.005 0.000 0.914 45 D CB 1.185 41.983 40.800 -0.004 0.000 1.182 45 D HN 0.132 nan 8.370 nan 0.000 0.451 46 K N 1.370 121.762 120.400 -0.014 0.000 2.240 46 K HA 0.325 4.645 4.320 -0.000 0.000 0.271 46 K C -0.199 176.385 176.600 -0.027 0.000 1.018 46 K CA -0.513 55.763 56.287 -0.018 0.000 0.874 46 K CB 2.021 34.511 32.500 -0.015 0.000 1.098 46 K HN 0.479 nan 8.250 nan 0.000 0.458 47 M N 4.250 123.830 119.600 -0.033 0.000 2.233 47 M HA 0.304 4.784 4.480 -0.000 0.000 0.355 47 M C -1.246 175.028 176.300 -0.043 0.000 1.191 47 M CA -0.480 54.790 55.300 -0.050 0.000 1.101 47 M CB 0.577 33.141 32.600 -0.059 0.000 1.592 47 M HN 0.594 nan 8.290 nan 0.000 0.461 48 L N 6.270 127.462 121.223 -0.051 0.000 2.492 48 L HA 0.424 4.764 4.340 -0.000 0.000 0.258 48 L C -1.130 175.720 176.870 -0.034 0.000 1.028 48 L CA -0.611 54.208 54.840 -0.034 0.000 0.900 48 L CB 1.472 43.516 42.059 -0.025 0.000 1.191 48 L HN 0.602 nan 8.230 nan 0.000 0.459 49 V N 1.761 121.657 119.914 -0.029 0.000 3.133 49 V HA 0.242 4.362 4.120 -0.000 0.000 0.305 49 V C 0.268 176.356 176.094 -0.010 0.000 1.084 49 V CA -0.218 62.069 62.300 -0.021 0.000 1.089 49 V CB 1.227 33.039 31.823 -0.018 0.000 1.073 49 V HN 0.809 nan 8.190 nan 0.000 0.477 50 D N 0.898 121.296 120.400 -0.003 0.000 2.482 50 D HA 0.175 4.815 4.640 -0.000 0.000 0.223 50 D C 0.442 176.743 176.300 0.002 0.000 1.262 50 D CA 0.264 54.264 54.000 0.001 0.000 1.125 50 D CB -0.192 40.611 40.800 0.005 0.000 1.196 50 D HN 0.521 nan 8.370 nan 0.000 0.594 51 D N -1.418 118.984 120.400 0.005 0.000 2.369 51 D HA 0.095 4.735 4.640 -0.000 0.000 0.211 51 D C 0.904 177.208 176.300 0.006 0.000 1.077 51 D CA -0.025 53.978 54.000 0.005 0.000 0.842 51 D CB -0.196 40.607 40.800 0.005 0.000 0.947 51 D HN 0.265 nan 8.370 nan 0.000 0.509 52 L N -0.075 121.152 121.223 0.008 0.000 3.110 52 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 52 L C 1.442 178.319 176.870 0.012 0.000 1.257 52 L CA 0.021 54.867 54.840 0.010 0.000 1.038 52 L CB 0.472 42.538 42.059 0.012 0.000 1.395 52 L HN 0.238 nan 8.230 nan 0.000 0.566 53 G N -0.397 108.409 108.800 0.009 0.000 2.216 53 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.269 53 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.269 53 G C 0.136 175.044 174.900 0.014 0.000 0.981 53 G CA 0.466 45.572 45.100 0.010 0.000 0.658 53 G HN 0.403 nan 8.290 nan 0.000 0.539 54 D N 0.129 120.540 120.400 0.018 0.000 2.363 54 D HA 0.410 5.049 4.640 -0.000 0.000 0.263 54 D C 0.537 176.845 176.300 0.013 0.000 1.258 54 D CA 0.167 54.185 54.000 0.031 0.000 0.907 54 D CB 1.509 42.328 40.800 0.032 0.000 1.107 54 D HN 0.313 nan 8.370 nan 0.000 0.495 55 V N 3.606 123.523 119.914 0.004 0.000 2.716 55 V HA 0.636 4.756 4.120 -0.000 0.000 0.304 55 V C -0.732 175.289 176.094 -0.122 0.000 1.053 55 V CA -0.430 61.817 62.300 -0.088 0.000 0.984 55 V CB 1.969 33.695 31.823 -0.162 0.000 1.021 55 V HN 0.232 nan 8.190 nan 0.000 0.467 56 V N 5.986 125.818 119.914 -0.136 0.000 2.697 56 V HA 0.475 4.595 4.120 -0.000 0.000 0.300 56 V C -0.905 175.127 176.094 -0.103 0.000 1.115 56 V CA -0.295 61.939 62.300 -0.109 0.000 0.912 56 V CB 2.237 34.061 31.823 0.001 0.000 1.024 56 V HN 0.805 nan 8.190 nan 0.000 0.431 57 V N 5.613 125.454 119.914 -0.120 0.000 2.427 57 V HA 0.853 4.972 4.120 -0.000 0.000 0.286 57 V C 0.180 176.262 176.094 -0.021 0.000 1.034 57 V CA 0.021 62.277 62.300 -0.073 0.000 0.893 57 V CB 1.637 33.409 31.823 -0.086 0.000 0.982 57 V HN 0.987 nan 8.190 nan 0.000 0.452 58 T N 2.572 117.117 114.554 -0.014 0.000 2.830 58 T HA 0.266 4.616 4.350 -0.000 0.000 0.322 58 T C 0.020 174.719 174.700 -0.002 0.000 1.501 58 T CA -0.461 61.638 62.100 -0.001 0.000 1.036 58 T CB 1.811 70.681 68.868 0.004 0.000 1.379 58 T HN 0.674 nan 8.240 nan 0.000 0.493 59 N N 1.532 120.233 118.700 0.002 0.000 2.184 59 N HA 0.049 4.788 4.740 -0.000 0.000 0.206 59 N C -0.262 175.248 175.510 0.000 0.000 1.151 59 N CA -0.123 52.928 53.050 0.001 0.000 0.878 59 N CB 0.482 38.972 38.487 0.006 0.000 1.014 59 N HN 0.734 nan 8.380 nan 0.000 0.512 60 D N 0.303 120.704 120.400 0.002 0.000 2.358 60 D HA 0.058 4.698 4.640 -0.000 0.000 0.258 60 D C 1.199 177.498 176.300 -0.003 0.000 1.223 60 D CA 0.020 54.021 54.000 0.001 0.000 0.886 60 D CB 1.278 42.080 40.800 0.003 0.000 1.120 60 D HN 0.316 nan 8.370 nan 0.000 0.482 61 G N 3.477 112.273 108.800 -0.005 0.000 2.586 61 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 61 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 61 G C 1.497 176.393 174.900 -0.007 0.000 1.216 61 G CA 0.920 46.015 45.100 -0.008 0.000 0.786 61 G HN 0.502 nan 8.290 nan 0.000 0.583 62 V N 1.532 121.443 119.914 -0.006 0.000 2.295 62 V HA -0.194 3.925 4.120 -0.000 0.000 0.246 62 V C 3.346 179.439 176.094 -0.002 0.000 1.049 62 V CA 3.531 65.829 62.300 -0.004 0.000 1.024 62 V CB -0.945 30.876 31.823 -0.003 0.000 0.648 62 V HN 0.692 nan 8.190 nan 0.000 0.447 63 T N -1.250 113.304 114.554 -0.000 0.000 2.684 63 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 63 T C 1.866 176.566 174.700 -0.000 0.000 1.036 63 T CA 2.136 64.237 62.100 0.002 0.000 1.148 63 T CB -0.802 68.069 68.868 0.005 0.000 0.863 63 T HN 0.479 nan 8.240 nan 0.000 0.436 64 I N 1.226 121.795 120.570 -0.002 0.000 2.091 64 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 64 I C 2.740 178.854 176.117 -0.004 0.000 1.046 64 I CA 1.832 63.129 61.300 -0.005 0.000 1.306 64 I CB -0.515 37.481 38.000 -0.008 0.000 1.018 64 I HN 0.252 nan 8.210 nan 0.000 0.404 65 L N -0.239 120.981 121.223 -0.005 0.000 1.976 65 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 65 L C 2.821 179.691 176.870 -0.000 0.000 1.071 65 L CA 1.371 56.208 54.840 -0.004 0.000 0.746 65 L CB -0.624 41.431 42.059 -0.006 0.000 0.890 65 L HN 0.153 nan 8.230 nan 0.000 0.432 66 R N 0.406 120.906 120.500 0.001 0.000 2.122 66 R HA -0.198 4.142 4.340 -0.000 0.000 0.236 66 R C 1.235 177.538 176.300 0.004 0.000 1.129 66 R CA 1.770 57.872 56.100 0.003 0.000 0.925 66 R CB -0.415 29.887 30.300 0.003 0.000 0.850 66 R HN 0.435 nan 8.270 nan 0.000 0.431 67 E N 1.144 121.346 120.200 0.003 0.000 2.424 67 E HA 0.038 4.388 4.350 -0.000 0.000 0.237 67 E C 0.043 176.645 176.600 0.003 0.000 1.381 67 E CA -0.071 56.331 56.400 0.004 0.000 1.587 67 E CB -0.105 29.599 29.700 0.005 0.000 1.398 67 E HN 0.321 nan 8.360 nan 0.000 0.439 68 M N -2.275 117.327 119.600 0.003 0.000 2.518 68 M HA 0.434 4.914 4.480 -0.000 0.000 0.300 68 M C -0.753 175.551 176.300 0.008 0.000 1.175 68 M CA -0.767 54.535 55.300 0.004 0.000 0.890 68 M CB 2.159 34.760 32.600 0.001 0.000 1.710 68 M HN -0.336 nan 8.290 nan 0.000 0.453 69 S N 2.435 118.140 115.700 0.009 0.000 3.065 69 S HA 0.308 4.778 4.470 -0.000 0.000 0.311 69 S C -0.245 174.367 174.600 0.019 0.000 1.204 69 S CA -0.528 57.679 58.200 0.013 0.000 1.040 69 S CB -0.700 62.507 63.200 0.012 0.000 1.436 69 S HN 0.459 nan 8.310 nan 0.000 0.532 70 V N 3.868 123.794 119.914 0.022 0.000 2.432 70 V HA 0.264 4.384 4.120 -0.000 0.000 0.275 70 V C 0.829 176.951 176.094 0.046 0.000 1.043 70 V CA -0.212 62.108 62.300 0.032 0.000 0.925 70 V CB 1.510 33.348 31.823 0.025 0.000 0.985 70 V HN 0.622 nan 8.190 nan 0.000 0.466 71 E N 1.419 121.659 120.200 0.066 0.000 2.306 71 E HA 0.081 4.431 4.350 -0.000 0.000 0.201 71 E C 0.795 177.458 176.600 0.104 0.000 0.874 71 E CA 0.094 56.534 56.400 0.066 0.000 0.972 71 E CB -0.090 29.639 29.700 0.048 0.000 0.957 71 E HN 0.715 nan 8.360 nan 0.000 0.492 72 H N 3.776 122.858 119.070 0.021 0.000 3.094 72 H HA -0.024 4.532 4.556 -0.000 0.000 0.320 72 H C -1.562 173.782 175.328 0.026 0.000 1.000 72 H CA -1.001 55.064 56.048 0.030 0.000 1.413 72 H CB 1.079 30.860 29.762 0.031 0.000 1.405 72 H HN -0.077 nan 8.280 nan 0.000 0.586 73 P HA -0.167 nan 4.420 nan 0.000 0.216 73 P C 1.192 178.640 177.300 0.245 0.000 1.153 73 P CA 1.867 65.096 63.100 0.215 0.000 0.848 73 P CB 0.026 31.788 31.700 0.102 0.000 0.787 74 A N 1.170 124.216 122.820 0.376 0.000 1.859 74 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 74 A C 2.606 180.188 177.584 -0.002 0.000 1.198 74 A CA 2.882 54.978 52.037 0.099 0.000 0.629 74 A CB -1.747 17.239 19.000 -0.024 0.000 0.830 74 A HN 0.234 nan 8.150 nan 0.000 0.446 75 A N -0.536 122.228 122.820 -0.093 0.000 1.948 75 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 75 A C 2.050 179.635 177.584 0.000 0.000 1.177 75 A CA 2.077 54.074 52.037 -0.067 0.000 0.636 75 A CB -0.568 18.380 19.000 -0.087 0.000 0.815 75 A HN 0.577 nan 8.150 nan 0.000 0.449 76 K N -1.218 119.208 120.400 0.044 0.000 2.293 76 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 76 K C 1.656 178.272 176.600 0.026 0.000 1.045 76 K CA 1.763 58.074 56.287 0.040 0.000 0.933 76 K CB -0.239 32.294 32.500 0.055 0.000 0.736 76 K HN 0.600 nan 8.250 nan 0.000 0.463 77 M N -0.740 118.874 119.600 0.024 0.000 2.461 77 M HA 0.012 4.491 4.480 -0.000 0.000 0.255 77 M C 1.173 177.477 176.300 0.007 0.000 1.137 77 M CA 0.214 55.525 55.300 0.018 0.000 1.086 77 M CB 0.325 32.941 32.600 0.027 0.000 1.356 77 M HN 0.008 nan 8.290 nan 0.000 0.487 78 L N 0.577 121.798 121.223 -0.004 0.000 2.291 78 L HA 0.012 4.351 4.340 -0.000 0.000 0.214 78 L C 2.017 178.882 176.870 -0.009 0.000 1.120 78 L CA 1.416 56.249 54.840 -0.011 0.000 0.799 78 L CB -0.396 41.648 42.059 -0.025 0.000 0.925 78 L HN 0.259 nan 8.230 nan 0.000 0.446 79 I N -1.087 119.480 120.570 -0.004 0.000 2.676 79 I HA -0.160 4.010 4.170 -0.000 0.000 0.259 79 I C 2.076 178.194 176.117 0.000 0.000 1.194 79 I CA 0.369 61.668 61.300 -0.002 0.000 1.473 79 I CB -0.201 37.800 38.000 0.002 0.000 1.096 79 I HN 0.272 nan 8.210 nan 0.000 0.443 80 E N 0.778 120.980 120.200 0.003 0.000 2.058 80 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 80 E C 2.440 179.041 176.600 0.002 0.000 0.997 80 E CA 1.195 57.598 56.400 0.005 0.000 0.801 80 E CB -0.344 29.361 29.700 0.009 0.000 0.746 80 E HN 0.317 nan 8.360 nan 0.000 0.450 81 V N 1.690 121.603 119.914 -0.001 0.000 2.287 81 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 81 V C 2.475 178.565 176.094 -0.007 0.000 1.053 81 V CA 1.964 64.261 62.300 -0.004 0.000 1.027 81 V CB -0.874 30.943 31.823 -0.010 0.000 0.646 81 V HN 0.268 nan 8.190 nan 0.000 0.447 82 A N -0.844 121.971 122.820 -0.008 0.000 1.969 82 A HA -0.214 4.105 4.320 -0.000 0.000 0.218 82 A C 2.324 179.905 177.584 -0.005 0.000 1.169 82 A CA 1.880 53.912 52.037 -0.009 0.000 0.635 82 A CB -0.424 18.570 19.000 -0.010 0.000 0.810 82 A HN 0.500 nan 8.150 nan 0.000 0.445 83 K N -0.672 119.727 120.400 -0.003 0.000 2.217 83 K HA -0.098 4.222 4.320 -0.000 0.000 0.202 83 K C 1.966 178.566 176.600 -0.001 0.000 1.051 83 K CA 1.609 57.895 56.287 -0.001 0.000 0.952 83 K CB -0.067 32.434 32.500 0.001 0.000 0.736 83 K HN 0.670 nan 8.250 nan 0.000 0.453 84 T N -2.482 112.072 114.554 -0.001 0.000 3.037 84 T HA -0.031 4.319 4.350 -0.000 0.000 0.251 84 T C 1.694 176.393 174.700 -0.002 0.000 1.079 84 T CA 0.170 62.270 62.100 -0.000 0.000 1.067 84 T CB 0.283 69.152 68.868 0.001 0.000 0.948 84 T HN 0.048 nan 8.240 nan 0.000 0.496 85 Q N 2.525 122.323 119.800 -0.004 0.000 2.050 85 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 85 Q C 2.202 178.199 176.000 -0.005 0.000 0.980 85 Q CA 2.450 58.250 55.803 -0.005 0.000 0.840 85 Q CB -0.468 28.265 28.738 -0.008 0.000 0.898 85 Q HN 0.849 nan 8.270 nan 0.000 0.424 86 E N -0.529 119.669 120.200 -0.004 0.000 2.160 86 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 86 E C 1.793 178.392 176.600 -0.003 0.000 0.991 86 E CA 1.455 57.852 56.400 -0.003 0.000 0.810 86 E CB -0.191 29.507 29.700 -0.003 0.000 0.742 86 E HN 0.155 nan 8.360 nan 0.000 0.466 87 K N 0.469 120.868 120.400 -0.002 0.000 2.103 87 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 87 K C 1.595 178.194 176.600 -0.002 0.000 1.052 87 K CA 1.322 57.608 56.287 -0.002 0.000 0.945 87 K CB 0.329 32.828 32.500 -0.001 0.000 0.722 87 K HN 0.104 nan 8.250 nan 0.000 0.443 88 E N -0.854 119.345 120.200 -0.002 0.000 2.498 88 E HA 0.098 4.448 4.350 -0.000 0.000 0.203 88 E C 0.698 177.296 176.600 -0.003 0.000 1.013 88 E CA 0.199 56.597 56.400 -0.002 0.000 0.927 88 E CB 1.053 30.752 29.700 -0.002 0.000 1.012 88 E HN 0.090 nan 8.360 nan 0.000 0.482 89 V N -1.866 118.046 119.914 -0.003 0.000 4.763 89 V HA 0.425 4.545 4.120 -0.000 0.000 0.146 89 V C 1.327 177.419 176.094 -0.004 0.000 1.198 89 V CA 0.442 62.740 62.300 -0.004 0.000 1.220 89 V CB 0.723 32.543 31.823 -0.004 0.000 1.571 89 V HN 0.218 nan 8.190 nan 0.000 0.595 90 G N 0.041 108.839 108.800 -0.004 0.000 3.134 90 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.195 90 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.195 90 G C -0.315 174.583 174.900 -0.003 0.000 1.054 90 G CA 0.340 45.438 45.100 -0.003 0.000 0.828 90 G HN 0.533 nan 8.290 nan 0.000 0.462 91 D N -0.219 120.179 120.400 -0.003 0.000 2.442 91 D HA 0.545 5.185 4.640 -0.000 0.000 0.254 91 D C 1.162 177.458 176.300 -0.007 0.000 1.069 91 D CA 0.907 54.904 54.000 -0.004 0.000 1.017 91 D CB 1.079 41.878 40.800 -0.002 0.000 1.172 91 D HN 1.370 nan 8.370 nan 0.000 0.561 92 G N 0.250 109.044 108.800 -0.009 0.000 2.246 92 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.273 92 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.273 92 G C 0.891 175.782 174.900 -0.015 0.000 1.055 92 G CA 1.242 46.334 45.100 -0.013 0.000 0.851 92 G HN 0.629 nan 8.290 nan 0.000 0.500 93 T N -3.985 110.562 114.554 -0.013 0.000 2.851 93 T HA -0.030 4.320 4.350 -0.000 0.000 0.262 93 T C 2.239 176.928 174.700 -0.018 0.000 1.043 93 T CA 2.111 64.203 62.100 -0.013 0.000 1.140 93 T CB -0.317 68.546 68.868 -0.010 0.000 0.872 93 T HN 0.243 nan 8.240 nan 0.000 0.446 94 T N 2.938 117.481 114.554 -0.018 0.000 2.684 94 T HA -0.131 4.218 4.350 -0.000 0.000 0.267 94 T C 2.431 177.114 174.700 -0.030 0.000 1.036 94 T CA 2.234 64.320 62.100 -0.022 0.000 1.148 94 T CB -1.013 67.842 68.868 -0.020 0.000 0.863 94 T HN 0.806 nan 8.240 nan 0.000 0.436 95 T N 0.903 115.439 114.554 -0.031 0.000 2.833 95 T HA 0.058 4.408 4.350 -0.000 0.000 0.269 95 T C 2.213 176.885 174.700 -0.046 0.000 1.054 95 T CA 1.056 63.132 62.100 -0.039 0.000 1.135 95 T CB -0.500 68.346 68.868 -0.038 0.000 0.869 95 T HN 0.347 nan 8.240 nan 0.000 0.466 96 A N 1.038 123.835 122.820 -0.038 0.000 1.898 96 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 96 A C 2.616 180.173 177.584 -0.045 0.000 1.181 96 A CA 1.301 53.314 52.037 -0.040 0.000 0.620 96 A CB -0.996 17.988 19.000 -0.027 0.000 0.819 96 A HN 0.391 nan 8.150 nan 0.000 0.442 97 V N -0.384 119.507 119.914 -0.038 0.000 2.358 97 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 97 V C 2.599 178.663 176.094 -0.050 0.000 1.047 97 V CA 1.882 64.158 62.300 -0.039 0.000 1.035 97 V CB -0.563 31.242 31.823 -0.031 0.000 0.658 97 V HN 0.366 nan 8.190 nan 0.000 0.452 98 V N -0.353 119.530 119.914 -0.052 0.000 2.255 98 V HA -0.246 3.873 4.120 -0.000 0.000 0.247 98 V C 2.436 178.483 176.094 -0.079 0.000 1.051 98 V CA 2.083 64.348 62.300 -0.058 0.000 1.018 98 V CB -0.498 31.293 31.823 -0.053 0.000 0.641 98 V HN 0.393 nan 8.190 nan 0.000 0.445 99 V N 0.309 120.166 119.914 -0.095 0.000 2.332 99 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 99 V C 2.717 178.718 176.094 -0.156 0.000 1.055 99 V CA 2.162 64.377 62.300 -0.141 0.000 1.038 99 V CB -1.179 30.550 31.823 -0.157 0.000 0.651 99 V HN 0.586 nan 8.190 nan 0.000 0.450 100 A N 0.226 122.976 122.820 -0.115 0.000 1.978 100 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 100 A C 2.376 179.912 177.584 -0.079 0.000 1.170 100 A CA 2.022 54.002 52.037 -0.096 0.000 0.636 100 A CB -1.070 17.894 19.000 -0.059 0.000 0.810 100 A HN 0.557 nan 8.150 nan 0.000 0.448 101 G N -0.725 108.031 108.800 -0.073 0.000 2.394 101 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 101 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 101 G C 1.424 176.287 174.900 -0.062 0.000 1.176 101 G CA 1.098 46.163 45.100 -0.058 0.000 0.786 101 G HN 0.555 nan 8.290 nan 0.000 0.533 102 E N -0.008 120.139 120.200 -0.087 0.000 2.418 102 E HA 0.108 4.458 4.350 -0.000 0.000 0.197 102 E C 2.342 178.877 176.600 -0.108 0.000 1.026 102 E CA 0.225 56.571 56.400 -0.090 0.000 0.862 102 E CB -0.221 29.415 29.700 -0.106 0.000 0.799 102 E HN 0.458 nan 8.360 nan 0.000 0.518 103 L N -0.432 120.703 121.223 -0.146 0.000 2.131 103 L HA -0.035 4.304 4.340 -0.000 0.000 0.206 103 L C 2.158 179.068 176.870 0.067 0.000 1.087 103 L CA 0.558 55.313 54.840 -0.143 0.000 0.767 103 L CB -0.239 41.624 42.059 -0.327 0.000 0.917 103 L HN 0.198 nan 8.230 nan 0.000 0.441 104 L N -0.455 120.789 121.223 0.033 0.000 2.093 104 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 104 L C 2.813 179.704 176.870 0.035 0.000 1.085 104 L CA 1.110 55.981 54.840 0.052 0.000 0.755 104 L CB -0.492 41.576 42.059 0.015 0.000 0.904 104 L HN 0.264 nan 8.230 nan 0.000 0.435 105 R N 0.493 120.998 120.500 0.009 0.000 2.070 105 R HA -0.163 4.177 4.340 -0.000 0.000 0.233 105 R C 2.275 178.589 176.300 0.023 0.000 1.137 105 R CA 1.340 57.442 56.100 0.004 0.000 0.945 105 R CB 0.015 30.307 30.300 -0.013 0.000 0.845 105 R HN 0.136 nan 8.270 nan 0.000 0.430 106 K N 0.185 120.610 120.400 0.041 0.000 2.211 106 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 106 K C 1.896 178.553 176.600 0.096 0.000 1.050 106 K CA 1.094 57.423 56.287 0.070 0.000 0.945 106 K CB -0.137 32.416 32.500 0.088 0.000 0.732 106 K HN 0.304 nan 8.250 nan 0.000 0.451 107 A N 2.038 124.930 122.820 0.119 0.000 1.969 107 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 107 A C 1.978 179.564 177.584 0.003 0.000 1.169 107 A CA 1.647 53.718 52.037 0.057 0.000 0.635 107 A CB -0.318 18.726 19.000 0.074 0.000 0.810 107 A HN 0.548 nan 8.150 nan 0.000 0.445 108 E N -0.122 120.085 120.200 0.012 0.000 2.435 108 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 108 E C 1.282 177.880 176.600 -0.004 0.000 1.029 108 E CA 0.718 57.115 56.400 -0.004 0.000 0.865 108 E CB -0.255 29.442 29.700 -0.005 0.000 0.833 108 E HN 0.702 nan 8.360 nan 0.000 0.510 109 E N 0.961 121.165 120.200 0.006 0.000 2.204 109 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 109 E C 1.944 178.545 176.600 0.002 0.000 0.989 109 E CA 0.828 57.231 56.400 0.006 0.000 0.824 109 E CB 0.032 29.741 29.700 0.015 0.000 0.756 109 E HN 0.404 nan 8.360 nan 0.000 0.477 110 L N 0.068 121.289 121.223 -0.004 0.000 2.249 110 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 110 L C 2.208 179.065 176.870 -0.022 0.000 1.090 110 L CA 0.343 55.175 54.840 -0.013 0.000 0.802 110 L CB -0.182 41.860 42.059 -0.028 0.000 0.947 110 L HN 0.118 nan 8.230 nan 0.000 0.453 111 L N -0.343 120.862 121.223 -0.029 0.000 2.156 111 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 111 L C 1.597 178.451 176.870 -0.028 0.000 1.095 111 L CA 0.937 55.756 54.840 -0.036 0.000 0.770 111 L CB -0.343 41.691 42.059 -0.041 0.000 0.914 111 L HN 0.232 nan 8.230 nan 0.000 0.439 112 D N -0.218 120.170 120.400 -0.019 0.000 2.336 112 D HA -0.059 4.581 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 0.586 54.576 54.000 -0.015 0.000 0.875 112 D CB 0.339 41.132 40.800 -0.012 0.000 0.904 112 D HN 0.476 nan 8.370 nan 0.000 0.525 113 Q N 0.037 119.830 119.800 -0.010 0.000 2.179 113 Q HA 0.107 4.447 4.340 -0.000 0.000 0.213 113 Q C -0.206 175.790 176.000 -0.005 0.000 0.833 113 Q CA -0.198 55.601 55.803 -0.006 0.000 0.990 113 Q CB 0.754 29.491 28.738 -0.002 0.000 1.132 113 Q HN 0.125 nan 8.270 nan 0.000 0.493 114 N N -0.186 118.507 118.700 -0.012 0.000 2.776 114 N HA -0.136 4.604 4.740 -0.000 0.000 0.250 114 N C -0.496 175.014 175.510 0.001 0.000 1.112 114 N CA 0.440 53.483 53.050 -0.011 0.000 0.733 114 N CB -1.652 36.833 38.487 -0.004 0.000 1.097 114 N HN 0.037 nan 8.380 nan 0.000 0.558 115 V N 1.560 121.473 119.914 -0.002 0.000 2.637 115 V HA 0.017 4.137 4.120 -0.000 0.000 0.296 115 V C 1.243 177.352 176.094 0.025 0.000 1.046 115 V CA -0.219 62.090 62.300 0.016 0.000 1.066 115 V CB 1.152 32.974 31.823 -0.002 0.000 0.968 115 V HN 0.256 nan 8.190 nan 0.000 0.483 116 H N 7.277 126.331 119.070 -0.027 0.000 2.848 116 H HA 0.086 4.642 4.556 -0.000 0.000 0.341 116 H C -1.674 173.632 175.328 -0.037 0.000 1.060 116 H CA -1.411 54.622 56.048 -0.025 0.000 1.444 116 H CB 1.788 31.539 29.762 -0.019 0.000 1.446 116 H HN 0.385 nan 8.280 nan 0.000 0.583 117 P HA -0.171 nan 4.420 nan 0.000 0.216 117 P C 1.382 178.755 177.300 0.121 0.000 1.153 117 P CA 2.600 65.701 63.100 0.002 0.000 0.858 117 P CB -0.021 31.645 31.700 -0.057 0.000 0.789 118 T N -3.657 111.110 114.554 0.354 0.000 3.007 118 T HA -0.072 4.277 4.350 -0.000 0.000 0.270 118 T C 1.662 176.398 174.700 0.058 0.000 1.107 118 T CA 0.731 62.927 62.100 0.160 0.000 1.118 118 T CB -0.749 68.168 68.868 0.082 0.000 0.889 118 T HN -0.082 nan 8.240 nan 0.000 0.506 119 I N 0.952 121.563 120.570 0.068 0.000 2.400 119 I HA 0.033 4.203 4.170 -0.000 0.000 0.248 119 I C 2.623 178.725 176.117 -0.024 0.000 1.109 119 I CA 0.239 61.546 61.300 0.012 0.000 1.425 119 I CB -1.051 36.962 38.000 0.022 0.000 1.094 119 I HN 0.162 nan 8.210 nan 0.000 0.425 120 V N 0.615 120.490 119.914 -0.064 0.000 2.255 120 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 120 V C 2.615 178.567 176.094 -0.237 0.000 1.051 120 V CA 1.824 63.993 62.300 -0.218 0.000 1.018 120 V CB -0.749 30.901 31.823 -0.288 0.000 0.641 120 V HN 0.314 nan 8.190 nan 0.000 0.445 121 V N -0.030 119.818 119.914 -0.110 0.000 2.720 121 V HA -0.233 3.886 4.120 -0.000 0.000 0.256 121 V C 2.404 178.531 176.094 0.055 0.000 1.082 121 V CA 2.464 64.762 62.300 -0.003 0.000 1.101 121 V CB -0.486 31.360 31.823 0.038 0.000 0.693 121 V HN 0.624 nan 8.190 nan 0.000 0.479 122 K N -0.061 120.355 120.400 0.027 0.000 2.031 122 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 122 K C 2.060 178.698 176.600 0.063 0.000 1.049 122 K CA 1.614 57.924 56.287 0.038 0.000 0.939 122 K CB -0.679 31.831 32.500 0.017 0.000 0.717 122 K HN 0.535 nan 8.250 nan 0.000 0.438 123 G N -0.488 108.349 108.800 0.062 0.000 2.448 123 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 123 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 123 G C 1.328 176.361 174.900 0.223 0.000 1.135 123 G CA 0.329 45.494 45.100 0.108 0.000 0.784 123 G HN 0.357 nan 8.290 nan 0.000 0.543 124 Y N 0.039 120.388 120.300 0.082 0.000 2.200 124 Y HA -0.144 4.405 4.550 -0.000 0.000 0.290 124 Y C 3.146 179.038 175.900 -0.013 0.000 1.137 124 Y CA 1.109 59.296 58.100 0.146 0.000 1.163 124 Y CB 0.100 38.700 38.460 0.234 0.000 0.988 124 Y HN 0.244 nan 8.280 nan 0.000 0.518 125 Q N 0.425 120.333 119.800 0.181 0.000 2.050 125 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 125 Q C 2.426 178.400 176.000 -0.043 0.000 0.980 125 Q CA 1.429 57.267 55.803 0.058 0.000 0.840 125 Q CB -0.216 28.560 28.738 0.062 0.000 0.898 125 Q HN 0.467 nan 8.270 nan 0.000 0.424 126 A N 0.568 123.383 122.820 -0.009 0.000 1.948 126 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 126 A C 2.164 179.649 177.584 -0.164 0.000 1.177 126 A CA 1.924 53.950 52.037 -0.018 0.000 0.636 126 A CB -0.780 18.272 19.000 0.086 0.000 0.815 126 A HN 0.554 nan 8.150 nan 0.000 0.449 127 A N -0.779 121.857 122.820 -0.306 0.000 1.975 127 A HA 0.404 4.724 4.320 -0.000 0.000 0.215 127 A C 2.416 179.487 177.584 -0.856 0.000 1.170 127 A CA 1.396 53.059 52.037 -0.624 0.000 0.656 127 A CB -0.774 17.761 19.000 -0.775 0.000 0.821 127 A HN 0.970 nan 8.150 nan 0.000 0.449 128 A N -0.513 121.825 122.820 -0.803 0.000 1.933 128 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 128 A C 2.133 179.560 177.584 -0.261 0.000 1.175 128 A CA 2.087 53.853 52.037 -0.452 0.000 0.628 128 A CB -0.457 18.456 19.000 -0.144 0.000 0.814 128 A HN 0.511 nan 8.150 nan 0.000 0.444 129 Q N 0.191 119.851 119.800 -0.234 0.000 2.020 129 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 129 Q C 2.040 177.908 176.000 -0.219 0.000 0.982 129 Q CA 2.454 58.155 55.803 -0.170 0.000 0.838 129 Q CB -0.309 28.353 28.738 -0.126 0.000 0.899 129 Q HN 0.469 nan 8.270 nan 0.000 0.423 130 K N -0.014 120.175 120.400 -0.352 0.000 2.026 130 K HA -0.005 4.314 4.320 -0.000 0.000 0.208 130 K C 1.814 178.236 176.600 -0.296 0.000 1.048 130 K CA 1.708 57.734 56.287 -0.435 0.000 0.929 130 K CB -0.901 31.077 32.500 -0.870 0.000 0.713 130 K HN 0.264 nan 8.250 nan 0.000 0.439 131 A N 0.442 123.092 122.820 -0.282 0.000 2.125 131 A HA -0.146 4.173 4.320 -0.000 0.000 0.219 131 A C 1.920 179.443 177.584 -0.101 0.000 1.156 131 A CA 1.258 53.200 52.037 -0.159 0.000 0.671 131 A CB -0.416 18.523 19.000 -0.100 0.000 0.794 131 A HN 0.358 nan 8.150 nan 0.000 0.459 132 Q N 0.055 119.789 119.800 -0.110 0.000 2.083 132 Q HA -0.149 4.191 4.340 -0.000 0.000 0.198 132 Q C 1.943 177.907 176.000 -0.061 0.000 0.969 132 Q CA 1.701 57.463 55.803 -0.068 0.000 0.838 132 Q CB -0.297 28.403 28.738 -0.062 0.000 0.900 132 Q HN 1.002 nan 8.270 nan 0.000 0.436 133 E N -0.268 119.886 120.200 -0.078 0.000 2.385 133 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 133 E C 1.947 178.515 176.600 -0.054 0.000 1.013 133 E CA 0.052 56.417 56.400 -0.059 0.000 0.866 133 E CB -0.220 29.444 29.700 -0.059 0.000 0.832 133 E HN 0.210 nan 8.360 nan 0.000 0.500 134 L N 0.645 121.825 121.223 -0.072 0.000 2.291 134 L HA -0.048 4.291 4.340 -0.000 0.000 0.214 134 L C 2.304 179.154 176.870 -0.033 0.000 1.120 134 L CA 0.623 55.430 54.840 -0.056 0.000 0.799 134 L CB -0.011 42.002 42.059 -0.078 0.000 0.925 134 L HN 0.189 nan 8.230 nan 0.000 0.446 135 L N -1.160 120.044 121.223 -0.032 0.000 2.127 135 L HA -0.130 4.210 4.340 -0.000 0.000 0.203 135 L C 2.457 179.319 176.870 -0.014 0.000 1.080 135 L CA 0.779 55.608 54.840 -0.019 0.000 0.768 135 L CB -0.268 41.781 42.059 -0.018 0.000 0.924 135 L HN 0.074 nan 8.230 nan 0.000 0.444 136 K N -0.253 120.136 120.400 -0.018 0.000 2.107 136 K HA -0.263 4.057 4.320 -0.000 0.000 0.211 136 K C 2.022 178.617 176.600 -0.008 0.000 1.049 136 K CA 2.283 58.562 56.287 -0.013 0.000 0.927 136 K CB -0.328 32.162 32.500 -0.017 0.000 0.714 136 K HN 0.474 nan 8.250 nan 0.000 0.452 137 T N -0.932 113.617 114.554 -0.009 0.000 3.043 137 T HA -0.004 4.346 4.350 -0.000 0.000 0.263 137 T C 1.532 176.233 174.700 0.002 0.000 1.094 137 T CA 0.564 62.662 62.100 -0.003 0.000 1.127 137 T CB -0.266 68.600 68.868 -0.003 0.000 0.905 137 T HN 0.389 nan 8.240 nan 0.000 0.490 138 I N -0.647 119.925 120.570 0.003 0.000 3.884 138 I HA 0.679 4.849 4.170 -0.000 0.000 0.330 138 I C 0.290 176.413 176.117 0.010 0.000 1.451 138 I CA -1.078 60.229 61.300 0.011 0.000 1.165 138 I CB -0.309 37.701 38.000 0.017 0.000 1.097 138 I HN 0.154 nan 8.210 nan 0.000 0.404 139 A N 1.493 124.316 122.820 0.005 0.000 2.258 139 A HA 0.555 4.875 4.320 -0.000 0.000 0.316 139 A C 0.247 177.834 177.584 0.005 0.000 1.279 139 A CA -0.452 51.588 52.037 0.005 0.000 0.876 139 A CB 0.149 19.149 19.000 0.001 0.000 1.170 139 A HN 0.554 nan 8.150 nan 0.000 0.520 140 C N 2.279 121.583 119.300 0.007 0.000 2.679 140 C HA 0.269 4.729 4.460 -0.000 0.000 0.417 140 C C 0.851 175.843 174.990 0.004 0.000 1.302 140 C CA -0.688 58.334 59.018 0.006 0.000 1.973 140 C CB -0.567 27.177 27.740 0.007 0.000 2.715 140 C HN 0.770 nan 8.230 nan 0.000 0.628 141 E N 0.616 120.818 120.200 0.004 0.000 2.349 141 E HA 0.638 4.988 4.350 -0.000 0.000 0.262 141 E C -0.527 176.075 176.600 0.003 0.000 1.088 141 E CA -0.059 56.343 56.400 0.003 0.000 0.899 141 E CB 1.496 31.197 29.700 0.002 0.000 1.044 141 E HN 0.510 nan 8.360 nan 0.000 0.420 142 V N -0.059 119.857 119.914 0.003 0.000 3.087 142 V HA 0.416 4.536 4.120 -0.000 0.000 0.306 142 V C 0.062 176.158 176.094 0.003 0.000 1.187 142 V CA -1.095 61.206 62.300 0.003 0.000 0.999 142 V CB 2.314 34.139 31.823 0.003 0.000 1.049 142 V HN 0.759 nan 8.190 nan 0.000 0.431 143 G N 1.065 109.867 108.800 0.003 0.000 2.370 143 G HA2 0.483 4.443 3.960 -0.000 0.000 0.272 143 G HA3 0.483 4.443 3.960 -0.000 0.000 0.272 143 G C 0.984 175.885 174.900 0.002 0.000 1.208 143 G CA 0.282 45.384 45.100 0.003 0.000 0.856 143 G HN 1.276 nan 8.290 nan 0.000 0.500 144 A N 1.840 124.662 122.820 0.002 0.000 2.194 144 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 144 A C 1.809 179.394 177.584 0.001 0.000 1.162 144 A CA 1.764 53.802 52.037 0.002 0.000 0.674 144 A CB -0.034 18.968 19.000 0.002 0.000 0.789 144 A HN 0.645 nan 8.150 nan 0.000 0.470 145 Q N -0.992 118.809 119.800 0.002 0.000 2.118 145 Q HA 0.052 4.392 4.340 -0.000 0.000 0.219 145 Q C -0.551 175.451 176.000 0.002 0.000 0.794 145 Q CA -0.267 55.537 55.803 0.002 0.000 1.035 145 Q CB 0.511 29.251 28.738 0.003 0.000 1.177 145 Q HN 0.426 nan 8.270 nan 0.000 0.478 146 D N 1.586 121.988 120.400 0.003 0.000 2.551 146 D HA -0.080 4.560 4.640 -0.000 0.000 0.248 146 D C 0.598 176.899 176.300 0.003 0.000 1.238 146 D CA 0.529 54.531 54.000 0.003 0.000 1.236 146 D CB 0.281 41.083 40.800 0.003 0.000 1.133 146 D HN 0.164 nan 8.370 nan 0.000 0.504 147 K N 1.353 121.755 120.400 0.002 0.000 2.515 147 K HA -0.121 4.199 4.320 -0.000 0.000 0.196 147 K C 1.598 178.199 176.600 0.003 0.000 1.038 147 K CA 0.536 56.824 56.287 0.002 0.000 0.967 147 K CB 0.306 32.806 32.500 0.001 0.000 0.780 147 K HN 0.388 nan 8.250 nan 0.000 0.483 148 E N 0.437 120.639 120.200 0.003 0.000 2.075 148 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 148 E C 1.826 178.429 176.600 0.005 0.000 0.969 148 E CA 0.532 56.934 56.400 0.004 0.000 0.815 148 E CB 0.063 29.766 29.700 0.005 0.000 0.776 148 E HN 0.270 nan 8.360 nan 0.000 0.457 149 I N 1.448 122.021 120.570 0.005 0.000 2.252 149 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 149 I C 2.502 178.622 176.117 0.006 0.000 1.102 149 I CA 0.673 61.977 61.300 0.006 0.000 1.385 149 I CB -0.123 37.881 38.000 0.005 0.000 1.064 149 I HN 0.194 nan 8.210 nan 0.000 0.414 150 L N 0.058 121.283 121.223 0.004 0.000 2.137 150 L HA -0.278 4.062 4.340 -0.000 0.000 0.213 150 L C 2.306 179.179 176.870 0.004 0.000 1.085 150 L CA 1.621 56.463 54.840 0.003 0.000 0.760 150 L CB -0.960 41.100 42.059 0.001 0.000 0.893 150 L HN 0.321 nan 8.230 nan 0.000 0.434 151 T N -1.443 113.114 114.554 0.005 0.000 3.054 151 T HA -0.047 4.303 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 0.524 62.628 62.100 0.006 0.000 1.121 151 T CB 0.180 69.051 68.868 0.005 0.000 0.912 151 T HN 0.273 nan 8.240 nan 0.000 0.489 152 K N 0.731 121.137 120.400 0.010 0.000 2.217 152 K HA 0.193 4.513 4.320 -0.000 0.000 0.202 152 K C 1.934 178.542 176.600 0.015 0.000 1.051 152 K CA 0.722 57.017 56.287 0.014 0.000 0.952 152 K CB -0.046 32.462 32.500 0.014 0.000 0.736 152 K HN 0.291 nan 8.250 nan 0.000 0.453 153 I N 0.691 121.268 120.570 0.011 0.000 2.286 153 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 153 I C 2.206 178.329 176.117 0.010 0.000 1.104 153 I CA 0.831 62.137 61.300 0.010 0.000 1.397 153 I CB -0.088 37.916 38.000 0.006 0.000 1.072 153 I HN 0.112 nan 8.210 nan 0.000 0.417 154 A N -0.342 122.483 122.820 0.009 0.000 2.119 154 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 154 A C 2.120 179.712 177.584 0.013 0.000 1.153 154 A CA 1.135 53.177 52.037 0.008 0.000 0.692 154 A CB -0.367 18.636 19.000 0.006 0.000 0.799 154 A HN 0.410 nan 8.150 nan 0.000 0.458 155 M N -1.474 118.135 119.600 0.016 0.000 2.394 155 M HA 0.040 4.520 4.480 -0.000 0.000 0.266 155 M C 1.801 178.119 176.300 0.030 0.000 1.098 155 M CA 1.613 56.926 55.300 0.022 0.000 1.149 155 M CB -0.011 32.602 32.600 0.022 0.000 1.369 155 M HN 0.219 nan 8.290 nan 0.000 0.450 156 T N -0.811 113.760 114.554 0.028 0.000 2.951 156 T HA -0.059 4.290 4.350 -0.000 0.000 0.268 156 T C 1.884 176.599 174.700 0.025 0.000 1.073 156 T CA 1.485 63.603 62.100 0.031 0.000 1.134 156 T CB -0.192 68.690 68.868 0.023 0.000 0.884 156 T HN 0.458 nan 8.240 nan 0.000 0.479 157 S N 0.666 116.377 115.700 0.019 0.000 2.357 157 S HA 0.033 4.503 4.470 -0.000 0.000 0.221 157 S C 2.018 176.629 174.600 0.018 0.000 1.031 157 S CA 0.604 58.813 58.200 0.015 0.000 0.982 157 S CB -0.343 62.862 63.200 0.010 0.000 0.853 157 S HN 0.451 nan 8.310 nan 0.000 0.458 158 I N 1.340 121.923 120.570 0.021 0.000 2.179 158 I HA -0.110 4.060 4.170 -0.000 0.000 0.242 158 I C 1.191 177.329 176.117 0.034 0.000 1.088 158 I CA 0.682 61.996 61.300 0.023 0.000 1.357 158 I CB -1.025 36.987 38.000 0.020 0.000 1.051 158 I HN 0.263 nan 8.210 nan 0.000 0.409 159 T N 0.481 115.064 114.554 0.048 0.000 2.788 159 T HA 0.194 4.544 4.350 -0.000 0.000 0.333 159 T C 1.175 175.909 174.700 0.057 0.000 1.090 159 T CA 0.870 63.015 62.100 0.074 0.000 1.094 159 T CB 0.759 69.695 68.868 0.113 0.000 0.999 159 T HN 0.681 nan 8.240 nan 0.000 0.549 160 G N 1.002 109.839 108.800 0.063 0.000 2.320 160 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 160 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 160 G C 0.678 175.594 174.900 0.027 0.000 1.033 160 G CA 0.289 45.408 45.100 0.032 0.000 0.620 160 G HN 0.630 nan 8.290 nan 0.000 0.517 161 K N 1.501 121.919 120.400 0.030 0.000 2.577 161 K HA 0.457 4.777 4.320 -0.000 0.000 0.210 161 K C 0.868 177.489 176.600 0.034 0.000 1.048 161 K CA 0.542 56.844 56.287 0.026 0.000 1.188 161 K CB -0.002 32.511 32.500 0.021 0.000 0.910 161 K HN 1.568 nan 8.250 nan 0.000 0.483 162 G N 0.315 109.145 108.800 0.050 0.000 3.209 162 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 162 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 162 G C 0.491 175.435 174.900 0.073 0.000 1.065 162 G CA -0.472 44.665 45.100 0.062 0.000 0.812 162 G HN 0.157 nan 8.290 nan 0.000 0.573 163 A N 1.300 124.183 122.820 0.106 0.000 2.131 163 A HA 0.042 4.362 4.320 -0.000 0.000 0.220 163 A C 2.122 179.706 177.584 0.001 0.000 1.158 163 A CA 2.178 54.258 52.037 0.070 0.000 0.665 163 A CB -0.133 18.871 19.000 0.006 0.000 0.795 163 A HN 1.379 nan 8.150 nan 0.000 0.460 164 E N 0.338 120.540 120.200 0.004 0.000 2.478 164 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 164 E C 1.159 177.759 176.600 -0.000 0.000 1.045 164 E CA 0.788 57.182 56.400 -0.010 0.000 0.868 164 E CB -0.209 29.486 29.700 -0.008 0.000 0.885 164 E HN 0.590 nan 8.360 nan 0.000 0.505 165 K N 0.494 120.900 120.400 0.011 0.000 2.379 165 K HA 0.234 4.554 4.320 -0.000 0.000 0.194 165 K C 1.266 177.872 176.600 0.010 0.000 1.031 165 K CA 0.519 56.813 56.287 0.011 0.000 1.037 165 K CB 0.377 32.887 32.500 0.017 0.000 0.824 165 K HN 0.101 nan 8.250 nan 0.000 0.516 166 A N 2.008 124.834 122.820 0.010 0.000 2.305 166 A HA -0.017 4.303 4.320 -0.000 0.000 0.236 166 A C 0.110 177.695 177.584 0.001 0.000 1.392 166 A CA 0.080 52.124 52.037 0.011 0.000 1.205 166 A CB -0.585 18.427 19.000 0.019 0.000 0.881 166 A HN -0.027 nan 8.150 nan 0.000 0.558 167 K N 0.946 121.347 120.400 0.000 0.000 2.491 167 K HA -0.007 4.313 4.320 -0.000 0.000 0.279 167 K C 1.074 177.674 176.600 -0.000 0.000 1.026 167 K CA 0.263 56.548 56.287 -0.003 0.000 1.070 167 K CB 0.277 32.777 32.500 -0.001 0.000 0.887 167 K HN 0.414 nan 8.250 nan 0.000 0.481 168 E N 3.538 123.737 120.200 -0.003 0.000 2.058 168 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 168 E C 0.503 177.104 176.600 0.001 0.000 0.997 168 E CA 1.422 57.821 56.400 -0.001 0.000 0.801 168 E CB 0.161 29.860 29.700 -0.003 0.000 0.746 168 E HN 0.515 nan 8.360 nan 0.000 0.450 169 K N 0.457 120.857 120.400 0.000 0.000 2.551 169 K HA -0.052 4.268 4.320 -0.000 0.000 0.192 169 K C 1.663 178.264 176.600 0.003 0.000 1.027 169 K CA -0.084 56.204 56.287 0.001 0.000 1.059 169 K CB 0.162 32.662 32.500 0.001 0.000 0.831 169 K HN -0.007 nan 8.250 nan 0.000 0.508 170 L N -0.466 120.759 121.223 0.003 0.000 2.316 170 L HA 0.201 4.541 4.340 -0.000 0.000 0.207 170 L C 1.993 178.866 176.870 0.004 0.000 1.070 170 L CA 1.065 55.907 54.840 0.004 0.000 0.820 170 L CB -0.353 41.709 42.059 0.005 0.000 0.992 170 L HN -0.008 nan 8.230 nan 0.000 0.466 171 A N 0.042 122.865 122.820 0.005 0.000 1.865 171 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 171 A C 2.075 179.661 177.584 0.003 0.000 1.191 171 A CA 2.048 54.088 52.037 0.005 0.000 0.623 171 A CB -0.774 18.230 19.000 0.007 0.000 0.826 171 A HN 0.602 nan 8.150 nan 0.000 0.444 172 E N -0.255 119.946 120.200 0.003 0.000 2.097 172 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 172 E C 1.937 178.537 176.600 0.000 0.000 1.000 172 E CA 1.403 57.804 56.400 0.002 0.000 0.804 172 E CB -0.418 29.283 29.700 0.002 0.000 0.740 172 E HN 0.701 nan 8.360 nan 0.000 0.454 173 I N 0.955 121.525 120.570 0.001 0.000 2.163 173 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 173 I C 2.459 178.574 176.117 -0.003 0.000 1.085 173 I CA 1.190 62.490 61.300 -0.000 0.000 1.347 173 I CB -0.338 37.663 38.000 0.002 0.000 1.044 173 I HN 0.130 nan 8.210 nan 0.000 0.408 174 I N 0.014 120.583 120.570 -0.002 0.000 2.142 174 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 174 I C 2.590 178.703 176.117 -0.006 0.000 1.078 174 I CA 1.231 62.529 61.300 -0.004 0.000 1.343 174 I CB -0.448 37.551 38.000 -0.001 0.000 1.046 174 I HN -0.002 nan 8.210 nan 0.000 0.405 175 V N 1.096 121.008 119.914 -0.004 0.000 2.231 175 V HA -0.378 3.742 4.120 -0.000 0.000 0.248 175 V C 2.564 178.653 176.094 -0.008 0.000 1.054 175 V CA 2.538 64.835 62.300 -0.005 0.000 1.015 175 V CB -0.780 31.042 31.823 -0.002 0.000 0.638 175 V HN 0.546 nan 8.190 nan 0.000 0.444 176 E N 0.387 120.582 120.200 -0.008 0.000 2.097 176 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 176 E C 2.005 178.594 176.600 -0.018 0.000 1.000 176 E CA 1.899 58.292 56.400 -0.012 0.000 0.804 176 E CB -0.360 29.334 29.700 -0.009 0.000 0.740 176 E HN 0.582 nan 8.360 nan 0.000 0.454 177 A N -0.040 122.770 122.820 -0.016 0.000 2.067 177 A HA 0.016 4.335 4.320 -0.000 0.000 0.217 177 A C 2.274 179.844 177.584 -0.024 0.000 1.156 177 A CA 0.940 52.964 52.037 -0.021 0.000 0.683 177 A CB -0.018 18.972 19.000 -0.017 0.000 0.808 177 A HN 0.231 nan 8.150 nan 0.000 0.455 178 V N -0.523 119.379 119.914 -0.019 0.000 2.649 178 V HA -0.109 4.010 4.120 -0.000 0.000 0.248 178 V C 2.596 178.677 176.094 -0.021 0.000 1.054 178 V CA 1.932 64.221 62.300 -0.018 0.000 1.073 178 V CB -0.272 31.544 31.823 -0.013 0.000 0.699 178 V HN 0.518 nan 8.190 nan 0.000 0.463 179 S N 0.603 116.290 115.700 -0.021 0.000 2.399 179 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 179 S C 2.225 176.803 174.600 -0.036 0.000 1.022 179 S CA 1.313 59.499 58.200 -0.022 0.000 0.983 179 S CB -0.341 62.848 63.200 -0.018 0.000 0.803 179 S HN 0.636 nan 8.310 nan 0.000 0.480 180 A N 1.415 124.207 122.820 -0.047 0.000 1.877 180 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 180 A C 2.157 179.696 177.584 -0.076 0.000 1.186 180 A CA 1.702 53.694 52.037 -0.076 0.000 0.620 180 A CB -0.882 18.072 19.000 -0.077 0.000 0.822 180 A HN 0.623 nan 8.150 nan 0.000 0.443 181 V N -1.698 118.185 119.914 -0.052 0.000 3.602 181 V HA 0.235 4.355 4.120 -0.000 0.000 0.289 181 V C 0.452 176.529 176.094 -0.029 0.000 1.265 181 V CA -0.288 61.987 62.300 -0.042 0.000 1.202 181 V CB -1.197 30.606 31.823 -0.033 0.000 1.012 181 V HN 0.101 nan 8.190 nan 0.000 0.431 182 V N 3.938 123.836 119.914 -0.027 0.000 2.479 182 V HA 0.144 4.263 4.120 -0.000 0.000 0.281 182 V C 0.473 176.564 176.094 -0.006 0.000 1.031 182 V CA 0.119 62.411 62.300 -0.014 0.000 1.038 182 V CB 0.691 32.508 31.823 -0.011 0.000 0.981 182 V HN 0.812 nan 8.190 nan 0.000 0.478 183 D N 4.564 124.963 120.400 -0.002 0.000 2.468 183 D HA 0.050 4.690 4.640 -0.000 0.000 0.218 183 D C -0.297 176.008 176.300 0.009 0.000 1.155 183 D CA -0.630 53.374 54.000 0.005 0.000 0.924 183 D CB 0.480 41.282 40.800 0.003 0.000 1.029 183 D HN 0.412 nan 8.370 nan 0.000 0.515 184 D N 2.911 123.320 120.400 0.015 0.000 2.451 184 D HA 0.028 4.668 4.640 -0.000 0.000 0.254 184 D C 0.508 176.816 176.300 0.013 0.000 1.204 184 D CA 0.550 54.559 54.000 0.016 0.000 0.896 184 D CB 0.673 41.488 40.800 0.024 0.000 1.136 184 D HN 0.548 nan 8.370 nan 0.000 0.499 185 E N 0.523 120.729 120.200 0.009 0.000 2.244 185 E HA 0.677 5.027 4.350 -0.000 0.000 0.266 185 E C 0.311 176.914 176.600 0.005 0.000 0.914 185 E CA -1.401 55.004 56.400 0.007 0.000 0.794 185 E CB 1.994 31.698 29.700 0.006 0.000 1.210 185 E HN 0.394 nan 8.360 nan 0.000 0.414 186 G N 1.662 110.464 108.800 0.003 0.000 5.253 186 G HA2 0.078 4.038 3.960 -0.000 0.000 0.238 186 G HA3 0.078 4.038 3.960 -0.000 0.000 0.238 186 G C -0.268 174.632 174.900 0.001 0.000 0.867 186 G CA -0.415 44.687 45.100 0.003 0.000 0.717 186 G HN 0.075 nan 8.290 nan 0.000 0.405 187 K N 0.250 120.650 120.400 0.000 0.000 2.139 187 K HA 0.703 5.023 4.320 -0.000 0.000 0.243 187 K C -0.551 176.046 176.600 -0.004 0.000 0.983 187 K CA -0.907 55.379 56.287 -0.002 0.000 0.890 187 K CB 2.411 34.910 32.500 -0.002 0.000 1.090 187 K HN -0.076 nan 8.250 nan 0.000 0.445 188 V N 1.419 121.330 119.914 -0.005 0.000 2.370 188 V HA 0.071 4.191 4.120 -0.000 0.000 0.283 188 V C -0.389 175.700 176.094 -0.008 0.000 1.023 188 V CA -0.822 61.473 62.300 -0.008 0.000 0.857 188 V CB 1.294 33.112 31.823 -0.009 0.000 0.985 188 V HN 0.597 nan 8.190 nan 0.000 0.443 189 D N 3.829 124.223 120.400 -0.010 0.000 2.374 189 D HA 0.208 4.848 4.640 -0.000 0.000 0.240 189 D C 1.028 177.321 176.300 -0.013 0.000 1.229 189 D CA -0.249 53.745 54.000 -0.011 0.000 0.895 189 D CB 1.222 42.016 40.800 -0.011 0.000 1.046 189 D HN 0.360 nan 8.370 nan 0.000 0.498 190 K N 1.421 121.814 120.400 -0.011 0.000 2.442 190 K HA -0.086 4.233 4.320 -0.000 0.000 0.199 190 K C 0.611 177.202 176.600 -0.015 0.000 1.044 190 K CA 0.875 57.154 56.287 -0.012 0.000 0.941 190 K CB 0.249 32.744 32.500 -0.010 0.000 0.759 190 K HN 0.377 nan 8.250 nan 0.000 0.472 191 D N -0.538 119.853 120.400 -0.016 0.000 2.349 191 D HA 0.056 4.696 4.640 -0.000 0.000 0.214 191 D C 1.082 177.368 176.300 -0.023 0.000 1.063 191 D CA 0.329 54.318 54.000 -0.019 0.000 0.847 191 D CB 0.325 41.115 40.800 -0.017 0.000 0.933 191 D HN 0.166 nan 8.370 nan 0.000 0.513 192 L N 0.180 121.389 121.223 -0.023 0.000 2.509 192 L HA 0.198 4.538 4.340 -0.000 0.000 0.222 192 L C 0.708 177.559 176.870 -0.032 0.000 1.123 192 L CA 0.324 55.148 54.840 -0.027 0.000 0.856 192 L CB 0.347 42.391 42.059 -0.025 0.000 0.985 192 L HN -0.152 nan 8.230 nan 0.000 0.456 193 I N 1.059 121.611 120.570 -0.029 0.000 2.287 193 I HA 0.098 4.268 4.170 -0.000 0.000 0.290 193 I C 0.364 176.462 176.117 -0.032 0.000 1.069 193 I CA -0.171 61.111 61.300 -0.030 0.000 1.237 193 I CB 0.755 38.741 38.000 -0.024 0.000 1.418 193 I HN 0.004 nan 8.210 nan 0.000 0.481 194 K N 7.339 127.715 120.400 -0.040 0.000 2.322 194 K HA 0.427 4.747 4.320 -0.000 0.000 0.283 194 K C -0.697 175.877 176.600 -0.043 0.000 1.042 194 K CA -0.266 55.993 56.287 -0.046 0.000 0.958 194 K CB 0.820 33.284 32.500 -0.061 0.000 0.984 194 K HN 0.575 nan 8.250 nan 0.000 0.473 195 I N 3.959 124.506 120.570 -0.038 0.000 2.355 195 I HA 0.159 4.329 4.170 -0.000 0.000 0.288 195 I C -0.497 175.597 176.117 -0.038 0.000 0.999 195 I CA -0.711 60.570 61.300 -0.033 0.000 1.163 195 I CB 1.665 39.652 38.000 -0.023 0.000 1.316 195 I HN 0.653 nan 8.210 nan 0.000 0.454 196 E N 6.788 126.962 120.200 -0.043 0.000 2.195 196 E HA 0.437 4.786 4.350 -0.000 0.000 0.271 196 E C -1.270 175.310 176.600 -0.033 0.000 0.923 196 E CA -0.685 55.685 56.400 -0.050 0.000 0.790 196 E CB 1.433 31.085 29.700 -0.080 0.000 1.155 196 E HN 0.309 nan 8.360 nan 0.000 0.402 197 K N 3.987 124.369 120.400 -0.030 0.000 2.450 197 K HA 0.525 4.844 4.320 -0.000 0.000 0.257 197 K C -0.789 175.802 176.600 -0.016 0.000 0.953 197 K CA -1.047 55.229 56.287 -0.019 0.000 0.844 197 K CB 1.555 34.043 32.500 -0.021 0.000 1.103 197 K HN 0.177 nan 8.250 nan 0.000 0.429 198 K N 1.567 121.965 120.400 -0.002 0.000 2.513 198 K HA 0.147 4.466 4.320 -0.000 0.000 0.251 198 K C 0.786 177.393 176.600 0.012 0.000 0.939 198 K CA -0.389 55.903 56.287 0.008 0.000 0.793 198 K CB 2.071 34.588 32.500 0.027 0.000 1.241 198 K HN 0.719 nan 8.250 nan 0.000 0.431 199 S N 1.866 117.570 115.700 0.007 0.000 2.462 199 S HA -0.120 4.350 4.470 -0.000 0.000 0.219 199 S C 1.031 175.637 174.600 0.011 0.000 1.048 199 S CA 1.171 59.373 58.200 0.004 0.000 1.119 199 S CB -0.965 62.234 63.200 -0.002 0.000 1.100 199 S HN 1.130 nan 8.310 nan 0.000 0.411 200 G N 0.781 109.589 108.800 0.014 0.000 2.915 200 G HA2 0.216 4.176 3.960 -0.000 0.000 0.337 200 G HA3 0.216 4.176 3.960 -0.000 0.000 0.337 200 G C 0.060 174.966 174.900 0.010 0.000 1.477 200 G CA -0.067 45.042 45.100 0.015 0.000 0.916 200 G HN 1.765 nan 8.290 nan 0.000 0.550 201 A N 0.267 123.092 122.820 0.009 0.000 3.215 201 A HA 0.748 5.068 4.320 -0.000 0.000 0.269 201 A C 1.089 178.677 177.584 0.007 0.000 1.517 201 A CA 1.278 53.319 52.037 0.007 0.000 1.221 201 A CB -0.051 18.951 19.000 0.005 0.000 1.160 201 A HN 1.979 nan 8.150 nan 0.000 0.620 202 S N 0.246 115.951 115.700 0.008 0.000 3.152 202 S HA 0.296 4.766 4.470 -0.000 0.000 0.173 202 S C 1.454 176.059 174.600 0.008 0.000 0.751 202 S CA 0.802 59.007 58.200 0.009 0.000 0.933 202 S CB -0.419 62.789 63.200 0.012 0.000 0.877 202 S HN 0.763 nan 8.310 nan 0.000 0.766 203 I N 1.306 121.881 120.570 0.009 0.000 3.986 203 I HA -0.418 3.752 4.170 -0.000 0.000 0.129 203 I C 0.999 177.121 176.117 0.008 0.000 0.493 203 I CA 2.183 63.488 61.300 0.009 0.000 1.177 203 I CB -1.195 36.810 38.000 0.008 0.000 1.035 203 I HN 0.443 nan 8.210 nan 0.000 0.211 204 D N 0.655 121.058 120.400 0.006 0.000 2.277 204 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 204 D C 1.391 177.696 176.300 0.008 0.000 0.962 204 D CA 1.006 55.010 54.000 0.006 0.000 0.865 204 D CB -0.192 40.610 40.800 0.003 0.000 0.939 204 D HN 0.449 nan 8.370 nan 0.000 0.510 205 D N -0.001 120.405 120.400 0.010 0.000 2.363 205 D HA -0.043 4.597 4.640 -0.000 0.000 0.226 205 D C 0.505 176.817 176.300 0.019 0.000 1.020 205 D CA 0.327 54.336 54.000 0.014 0.000 0.892 205 D CB -0.353 40.456 40.800 0.016 0.000 0.900 205 D HN 0.220 nan 8.370 nan 0.000 0.531 206 T N -0.123 114.441 114.554 0.016 0.000 2.916 206 T HA 0.249 4.599 4.350 -0.000 0.000 0.303 206 T C 0.145 174.856 174.700 0.018 0.000 1.025 206 T CA -0.449 61.662 62.100 0.018 0.000 1.142 206 T CB 1.118 69.993 68.868 0.012 0.000 0.947 206 T HN 0.245 nan 8.240 nan 0.000 0.544 207 E N 1.963 122.176 120.200 0.023 0.000 2.433 207 E HA 0.553 4.902 4.350 -0.000 0.000 0.278 207 E C -1.577 175.036 176.600 0.021 0.000 0.976 207 E CA -1.346 55.068 56.400 0.024 0.000 0.793 207 E CB 1.270 30.990 29.700 0.034 0.000 1.311 207 E HN 0.472 nan 8.360 nan 0.000 0.460 208 L N 1.895 123.129 121.223 0.018 0.000 2.276 208 L HA 0.458 4.798 4.340 -0.000 0.000 0.286 208 L C -0.964 175.919 176.870 0.022 0.000 1.061 208 L CA -0.369 54.478 54.840 0.012 0.000 0.807 208 L CB 0.701 42.763 42.059 0.005 0.000 1.177 208 L HN 0.589 nan 8.230 nan 0.000 0.429 209 I N 5.541 126.123 120.570 0.019 0.000 2.354 209 I HA 0.248 4.418 4.170 -0.000 0.000 0.286 209 I C 0.114 176.236 176.117 0.008 0.000 1.007 209 I CA -0.598 60.720 61.300 0.030 0.000 1.167 209 I CB 0.971 38.996 38.000 0.041 0.000 1.320 209 I HN 0.525 nan 8.210 nan 0.000 0.458 210 K N 5.809 126.216 120.400 0.011 0.000 2.278 210 K HA 0.428 4.747 4.320 -0.000 0.000 0.237 210 K C 0.363 176.962 176.600 -0.000 0.000 1.229 210 K CA -0.208 56.077 56.287 -0.003 0.000 1.155 210 K CB 0.366 32.865 32.500 -0.003 0.000 1.590 210 K HN 0.901 nan 8.250 nan 0.000 0.290 211 G N -0.443 108.349 108.800 -0.013 0.000 2.498 211 G HA2 0.199 4.159 3.960 -0.000 0.000 0.181 211 G HA3 0.199 4.159 3.960 -0.000 0.000 0.181 211 G C -1.571 173.297 174.900 -0.053 0.000 1.169 211 G CA -0.642 44.445 45.100 -0.020 0.000 0.992 211 G HN 0.099 nan 8.290 nan 0.000 0.490 212 V N 0.274 120.142 119.914 -0.076 0.000 2.789 212 V HA 0.706 4.825 4.120 -0.000 0.000 0.311 212 V C -1.015 174.976 176.094 -0.171 0.000 1.073 212 V CA -0.669 61.554 62.300 -0.128 0.000 0.921 212 V CB 1.853 33.576 31.823 -0.167 0.000 1.009 212 V HN 0.693 nan 8.190 nan 0.000 0.426 213 L N 4.100 125.193 121.223 -0.216 0.000 2.272 213 L HA 0.665 5.004 4.340 -0.000 0.000 0.289 213 L C -0.446 176.279 176.870 -0.241 0.000 1.032 213 L CA 0.081 54.726 54.840 -0.325 0.000 0.810 213 L CB 1.641 43.464 42.059 -0.395 0.000 1.205 213 L HN 0.540 nan 8.230 nan 0.000 0.422 214 V N 2.965 122.755 119.914 -0.207 0.000 2.417 214 V HA 0.283 4.403 4.120 -0.000 0.000 0.291 214 V C -0.130 175.924 176.094 -0.066 0.000 1.024 214 V CA -0.730 61.497 62.300 -0.122 0.000 0.861 214 V CB 1.536 33.302 31.823 -0.095 0.000 0.985 214 V HN 0.588 nan 8.190 nan 0.000 0.436 215 D N 4.089 124.458 120.400 -0.053 0.000 3.032 215 D HA 0.197 4.837 4.640 -0.000 0.000 0.241 215 D C 0.324 176.632 176.300 0.015 0.000 1.196 215 D CA 0.287 54.273 54.000 -0.024 0.000 0.927 215 D CB 0.007 40.789 40.800 -0.031 0.000 1.129 215 D HN 0.382 nan 8.370 nan 0.000 0.458 216 K N 0.295 120.723 120.400 0.046 0.000 2.263 216 K HA 0.522 4.842 4.320 -0.000 0.000 0.249 216 K C -0.146 176.502 176.600 0.081 0.000 1.076 216 K CA -0.749 55.579 56.287 0.069 0.000 0.884 216 K CB 1.460 34.022 32.500 0.103 0.000 1.394 216 K HN 0.236 nan 8.250 nan 0.000 0.476 217 E N -0.102 120.139 120.200 0.070 0.000 2.356 217 E HA 0.418 4.768 4.350 -0.000 0.000 0.275 217 E C -1.087 175.536 176.600 0.038 0.000 0.904 217 E CA -1.233 55.204 56.400 0.061 0.000 0.757 217 E CB 1.339 31.069 29.700 0.049 0.000 1.232 217 E HN 0.379 nan 8.360 nan 0.000 0.442 218 R N 0.726 121.241 120.500 0.024 0.000 2.481 218 R HA -0.042 4.297 4.340 -0.000 0.000 0.291 218 R C 0.683 176.980 176.300 -0.005 0.000 0.934 218 R CA 0.036 56.130 56.100 -0.009 0.000 1.116 218 R CB -0.047 30.245 30.300 -0.013 0.000 0.895 218 R HN 0.480 nan 8.270 nan 0.000 0.410 219 V N 1.760 121.665 119.914 -0.015 0.000 2.490 219 V HA -0.134 3.985 4.120 -0.000 0.000 0.250 219 V C 0.506 176.597 176.094 -0.006 0.000 1.061 219 V CA 2.151 64.447 62.300 -0.007 0.000 1.064 219 V CB 0.171 31.988 31.823 -0.010 0.000 0.670 219 V HN 0.839 nan 8.190 nan 0.000 0.461 220 S N -1.420 114.273 115.700 -0.011 0.000 2.478 220 S HA 0.656 5.126 4.470 -0.000 0.000 0.312 220 S C 0.855 175.453 174.600 -0.004 0.000 1.094 220 S CA -0.162 58.035 58.200 -0.006 0.000 1.081 220 S CB 1.665 64.862 63.200 -0.006 0.000 1.007 220 S HN 0.541 nan 8.310 nan 0.000 0.475 221 A N 3.607 126.427 122.820 0.000 0.000 2.121 221 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 221 A C 1.831 179.415 177.584 0.001 0.000 1.154 221 A CA 1.194 53.232 52.037 0.001 0.000 0.679 221 A CB -0.411 18.590 19.000 0.003 0.000 0.795 221 A HN 0.873 nan 8.150 nan 0.000 0.458 222 Q N -0.944 118.857 119.800 0.002 0.000 2.432 222 Q HA 0.104 4.444 4.340 -0.000 0.000 0.205 222 Q C 0.457 176.453 176.000 -0.007 0.000 0.945 222 Q CA -0.083 55.721 55.803 0.003 0.000 0.924 222 Q CB -0.096 28.650 28.738 0.014 0.000 1.016 222 Q HN 0.708 nan 8.270 nan 0.000 0.503 223 M N 1.641 121.233 119.600 -0.013 0.000 2.198 223 M HA 0.174 4.654 4.480 -0.000 0.000 0.315 223 M C -2.043 174.247 176.300 -0.017 0.000 1.134 223 M CA -1.730 53.557 55.300 -0.021 0.000 1.171 223 M CB 0.061 32.642 32.600 -0.031 0.000 1.413 223 M HN -0.102 nan 8.290 nan 0.000 0.467 224 P HA 0.017 nan 4.420 nan 0.000 0.267 224 P C -0.629 176.665 177.300 -0.010 0.000 1.200 224 P CA 0.281 63.372 63.100 -0.014 0.000 0.772 224 P CB 0.426 32.117 31.700 -0.016 0.000 0.855 225 K N 1.175 121.573 120.400 -0.004 0.000 2.414 225 K HA 0.178 4.498 4.320 -0.000 0.000 0.204 225 K C -0.034 176.569 176.600 0.005 0.000 1.026 225 K CA -0.031 56.258 56.287 0.003 0.000 1.108 225 K CB 0.233 32.735 32.500 0.003 0.000 0.855 225 K HN 0.246 nan 8.250 nan 0.000 0.517 226 K N 0.380 120.781 120.400 0.003 0.000 2.557 226 K HA 0.290 4.610 4.320 -0.000 0.000 0.257 226 K C -1.916 174.688 176.600 0.006 0.000 0.933 226 K CA -0.755 55.536 56.287 0.006 0.000 0.820 226 K CB 2.110 34.609 32.500 -0.003 0.000 1.330 226 K HN -0.142 nan 8.250 nan 0.000 0.432 227 V N 2.355 122.278 119.914 0.015 0.000 2.686 227 V HA 0.482 4.602 4.120 -0.000 0.000 0.306 227 V C -0.463 175.644 176.094 0.022 0.000 1.065 227 V CA -0.773 61.536 62.300 0.014 0.000 0.894 227 V CB 1.923 33.754 31.823 0.013 0.000 1.004 227 V HN 0.963 nan 8.190 nan 0.000 0.424 228 T N -0.573 113.991 114.554 0.017 0.000 2.925 228 T HA 0.506 4.856 4.350 -0.000 0.000 0.285 228 T C -0.096 174.617 174.700 0.022 0.000 1.021 228 T CA -0.506 61.607 62.100 0.021 0.000 1.042 228 T CB 1.400 70.276 68.868 0.014 0.000 1.037 228 T HN 0.719 nan 8.240 nan 0.000 0.481 229 D N -0.189 120.227 120.400 0.027 0.000 2.737 229 D HA -0.172 4.468 4.640 -0.000 0.000 0.233 229 D C 0.591 176.908 176.300 0.029 0.000 1.155 229 D CA 1.026 55.042 54.000 0.027 0.000 0.667 229 D CB -1.456 39.356 40.800 0.020 0.000 1.060 229 D HN 1.051 nan 8.370 nan 0.000 0.427 230 A N 0.246 123.088 122.820 0.036 0.000 2.406 230 A HA 0.254 4.574 4.320 -0.000 0.000 0.243 230 A C 0.792 178.401 177.584 0.042 0.000 1.082 230 A CA 0.314 52.373 52.037 0.037 0.000 0.786 230 A CB 0.777 19.805 19.000 0.046 0.000 1.029 230 A HN 0.086 nan 8.150 nan 0.000 0.495 231 K N 1.496 121.917 120.400 0.035 0.000 2.339 231 K HA 0.469 4.789 4.320 -0.000 0.000 0.264 231 K C -1.271 175.357 176.600 0.047 0.000 0.986 231 K CA -0.058 56.252 56.287 0.038 0.000 0.866 231 K CB 1.296 33.811 32.500 0.026 0.000 1.103 231 K HN 0.623 nan 8.250 nan 0.000 0.441 232 I N 2.417 123.030 120.570 0.071 0.000 2.321 232 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 232 I C 0.079 176.254 176.117 0.097 0.000 0.998 232 I CA -0.661 60.704 61.300 0.108 0.000 1.227 232 I CB 1.694 39.807 38.000 0.188 0.000 1.368 232 I HN 0.502 nan 8.210 nan 0.000 0.466 233 A N 7.720 130.591 122.820 0.084 0.000 2.256 233 A HA 0.681 5.001 4.320 -0.000 0.000 0.317 233 A C -0.768 176.880 177.584 0.107 0.000 1.318 233 A CA -0.458 51.622 52.037 0.072 0.000 0.894 233 A CB 0.308 19.330 19.000 0.036 0.000 1.165 233 A HN 0.576 nan 8.150 nan 0.000 0.525 234 L N 3.102 124.392 121.223 0.111 0.000 2.260 234 L HA 0.355 4.695 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 0.402 55.317 54.840 0.125 0.000 0.811 234 L CB 1.026 43.143 42.059 0.098 0.000 1.184 234 L HN 0.621 nan 8.230 nan 0.000 0.429 235 L N 3.800 125.071 121.223 0.081 0.000 2.262 235 L HA 0.334 4.674 4.340 -0.000 0.000 0.288 235 L C 1.051 177.950 176.870 0.049 0.000 1.035 235 L CA -0.358 54.514 54.840 0.054 0.000 0.820 235 L CB 1.125 43.210 42.059 0.043 0.000 1.204 235 L HN 0.600 nan 8.230 nan 0.000 0.424 236 N N 1.484 120.206 118.700 0.037 0.000 2.515 236 N HA -0.047 4.693 4.740 -0.000 0.000 0.185 236 N C 0.281 175.806 175.510 0.025 0.000 1.109 236 N CA 0.101 53.168 53.050 0.029 0.000 0.903 236 N CB 0.113 38.613 38.487 0.022 0.000 0.969 236 N HN 0.517 nan 8.380 nan 0.000 0.450 237 C N -0.126 119.190 119.300 0.026 0.000 2.411 237 C HA 0.782 5.242 4.460 -0.000 0.000 0.358 237 C C 0.035 175.040 174.990 0.024 0.000 1.349 237 C CA -0.636 58.396 59.018 0.022 0.000 2.326 237 C CB 0.325 28.078 27.740 0.021 0.000 2.166 237 C HN 0.419 nan 8.230 nan 0.000 0.609 238 A N 2.535 125.368 122.820 0.022 0.000 2.285 238 A HA 0.631 4.951 4.320 -0.000 0.000 0.310 238 A C -0.432 177.166 177.584 0.023 0.000 1.266 238 A CA -0.370 51.680 52.037 0.022 0.000 0.832 238 A CB 0.105 19.116 19.000 0.020 0.000 1.163 238 A HN 0.755 nan 8.150 nan 0.000 0.499 239 I N 2.810 123.395 120.570 0.026 0.000 2.349 239 I HA 0.074 4.244 4.170 -0.000 0.000 0.302 239 I C 0.559 176.697 176.117 0.034 0.000 1.180 239 I CA -0.053 61.266 61.300 0.031 0.000 1.405 239 I CB -0.192 37.828 38.000 0.033 0.000 1.474 239 I HN 0.606 nan 8.210 nan 0.000 0.632 264 T N -4.404 110.175 114.554 0.043 0.000 3.442 264 T HA 0.692 5.042 4.350 -0.000 0.000 0.135 264 T C 1.007 175.724 174.700 0.028 0.000 0.806 264 T CA 1.843 63.961 62.100 0.030 0.000 0.810 264 T CB 0.292 69.177 68.868 0.028 0.000 1.131 264 T HN 2.172 nan 8.240 nan 0.000 0.264 265 A N -0.011 122.830 122.820 0.035 0.000 2.441 265 A HA 0.687 5.007 4.320 -0.000 0.000 0.209 265 A C 0.473 178.081 177.584 0.040 0.000 1.645 265 A CA 0.575 52.630 52.037 0.030 0.000 1.362 265 A CB -0.125 18.885 19.000 0.016 0.000 1.035 265 A HN 0.674 nan 8.150 nan 0.000 0.487 266 S N 1.363 117.097 115.700 0.056 0.000 3.041 266 S HA 0.285 4.755 4.470 -0.000 0.000 0.250 266 S C 0.361 175.005 174.600 0.073 0.000 0.898 266 S CA 0.787 59.020 58.200 0.055 0.000 1.100 266 S CB -0.592 62.629 63.200 0.035 0.000 1.149 266 S HN 1.197 nan 8.310 nan 0.000 0.540 267 E N 0.304 120.581 120.200 0.130 0.000 2.238 267 E HA -0.257 4.092 4.350 -0.000 0.000 0.219 267 E C 0.179 176.811 176.600 0.054 0.000 1.275 267 E CA 0.884 57.379 56.400 0.159 0.000 0.714 267 E CB -2.034 27.747 29.700 0.134 0.000 1.154 267 E HN 0.681 nan 8.360 nan 0.000 0.363 268 M N 0.280 119.916 119.600 0.059 0.000 2.747 268 M HA 0.005 4.485 4.480 -0.000 0.000 0.221 268 M C 0.513 176.828 176.300 0.026 0.000 1.107 268 M CA 0.473 55.790 55.300 0.028 0.000 1.031 268 M CB 0.186 32.804 32.600 0.030 0.000 1.727 268 M HN 0.316 nan 8.290 nan 0.000 0.517 269 L N -1.628 119.618 121.223 0.038 0.000 2.878 269 L HA 0.166 4.506 4.340 -0.000 0.000 0.253 269 L C 1.558 178.382 176.870 -0.076 0.000 1.135 269 L CA 0.673 55.551 54.840 0.064 0.000 0.943 269 L CB -0.556 41.637 42.059 0.223 0.000 1.307 269 L HN 0.175 nan 8.230 nan 0.000 0.545 270 K N 0.345 120.562 120.400 -0.305 0.000 2.283 270 K HA -0.120 4.200 4.320 -0.000 0.000 0.202 270 K C 1.223 177.710 176.600 -0.189 0.000 1.048 270 K CA 0.999 57.032 56.287 -0.422 0.000 0.948 270 K CB 0.236 32.440 32.500 -0.493 0.000 0.742 270 K HN 0.241 nan 8.250 nan 0.000 0.458 271 D N 1.106 121.438 120.400 -0.114 0.000 2.077 271 D HA -0.147 4.492 4.640 -0.000 0.000 0.197 271 D C 1.821 178.096 176.300 -0.041 0.000 0.983 271 D CA 1.390 55.352 54.000 -0.063 0.000 0.841 271 D CB -0.275 40.502 40.800 -0.038 0.000 0.992 271 D HN 0.077 nan 8.370 nan 0.000 0.450 272 M N 0.336 119.923 119.600 -0.021 0.000 2.144 272 M HA -0.149 4.331 4.480 -0.000 0.000 0.260 272 M C 2.183 178.482 176.300 -0.003 0.000 1.067 272 M CA 0.976 56.274 55.300 -0.002 0.000 1.095 272 M CB -0.096 32.515 32.600 0.018 0.000 1.365 272 M HN -0.103 nan 8.290 nan 0.000 0.406 273 V N -0.527 119.382 119.914 -0.009 0.000 2.719 273 V HA -0.096 4.024 4.120 -0.000 0.000 0.252 273 V C 2.208 178.286 176.094 -0.027 0.000 1.065 273 V CA 1.672 63.971 62.300 -0.001 0.000 1.086 273 V CB -0.745 31.099 31.823 0.034 0.000 0.700 273 V HN 0.507 nan 8.190 nan 0.000 0.467 274 A N -0.797 121.993 122.820 -0.050 0.000 2.220 274 A HA 0.095 4.415 4.320 -0.000 0.000 0.211 274 A C 1.953 179.518 177.584 -0.032 0.000 1.176 274 A CA 0.233 52.241 52.037 -0.047 0.000 0.834 274 A CB -0.102 18.857 19.000 -0.068 0.000 0.868 274 A HN 0.530 nan 8.150 nan 0.000 0.488 275 E N -0.113 120.072 120.200 -0.025 0.000 2.216 275 E HA -0.014 4.336 4.350 -0.000 0.000 0.192 275 E C 1.378 177.972 176.600 -0.010 0.000 0.988 275 E CA 0.761 57.151 56.400 -0.016 0.000 0.834 275 E CB -0.088 29.605 29.700 -0.012 0.000 0.772 275 E HN 0.699 nan 8.360 nan 0.000 0.479 276 I N 0.890 121.454 120.570 -0.009 0.000 2.480 276 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 276 I C 2.415 178.527 176.117 -0.008 0.000 1.124 276 I CA 0.703 62.000 61.300 -0.005 0.000 1.444 276 I CB -0.008 37.990 38.000 -0.003 0.000 1.098 276 I HN -0.080 nan 8.210 nan 0.000 0.428 277 K N 1.552 121.945 120.400 -0.013 0.000 2.439 277 K HA -0.029 4.291 4.320 -0.000 0.000 0.197 277 K C 2.001 178.594 176.600 -0.012 0.000 1.041 277 K CA 0.847 57.126 56.287 -0.014 0.000 0.970 277 K CB 0.119 32.607 32.500 -0.019 0.000 0.773 277 K HN 0.284 nan 8.250 nan 0.000 0.479 278 A N 0.730 123.542 122.820 -0.012 0.000 1.968 278 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 278 A C 1.962 179.542 177.584 -0.005 0.000 1.169 278 A CA 1.687 53.718 52.037 -0.010 0.000 0.638 278 A CB -0.302 18.691 19.000 -0.011 0.000 0.812 278 A HN 0.442 nan 8.150 nan 0.000 0.446 279 S N -2.068 113.630 115.700 -0.003 0.000 2.496 279 S HA 0.369 4.839 4.470 -0.000 0.000 0.224 279 S C 1.356 175.957 174.600 0.002 0.000 0.996 279 S CA 0.987 59.188 58.200 0.001 0.000 0.927 279 S CB -0.132 63.071 63.200 0.005 0.000 0.774 279 S HN 1.865 nan 8.310 nan 0.000 0.524 280 G N 0.667 109.467 108.800 -0.000 0.000 2.131 280 G HA2 0.035 3.995 3.960 -0.000 0.000 0.201 280 G HA3 0.035 3.995 3.960 -0.000 0.000 0.201 280 G C 0.018 174.919 174.900 0.002 0.000 1.000 280 G CA -0.298 44.802 45.100 0.000 0.000 0.680 280 G HN 1.189 nan 8.290 nan 0.000 0.514 281 A N 0.528 123.349 122.820 0.000 0.000 2.269 281 A HA 0.643 4.963 4.320 -0.000 0.000 0.302 281 A C 0.992 178.569 177.584 -0.011 0.000 1.266 281 A CA 0.244 52.282 52.037 0.001 0.000 0.894 281 A CB 0.265 19.267 19.000 0.005 0.000 1.147 281 A HN 0.899 nan 8.150 nan 0.000 0.537 282 N N 1.679 120.373 118.700 -0.010 0.000 2.268 282 N HA 0.175 4.915 4.740 -0.000 0.000 0.204 282 N C -0.581 174.904 175.510 -0.042 0.000 1.124 282 N CA 0.034 53.071 53.050 -0.021 0.000 0.838 282 N CB 0.435 38.915 38.487 -0.012 0.000 0.994 282 N HN 0.212 nan 8.380 nan 0.000 0.489 283 V N 0.596 120.478 119.914 -0.053 0.000 2.891 283 V HA 0.482 4.602 4.120 -0.000 0.000 0.304 283 V C -1.660 174.347 176.094 -0.144 0.000 1.171 283 V CA -1.017 61.210 62.300 -0.123 0.000 0.943 283 V CB 2.350 34.125 31.823 -0.080 0.000 1.037 283 V HN 0.159 nan 8.190 nan 0.000 0.427 284 L N 4.602 125.651 121.223 -0.290 0.000 2.476 284 L HA 0.730 5.069 4.340 -0.000 0.000 0.269 284 L C -1.880 174.778 176.870 -0.353 0.000 0.965 284 L CA 0.100 54.819 54.840 -0.202 0.000 0.845 284 L CB 1.684 43.681 42.059 -0.102 0.000 1.259 284 L HN 0.471 nan 8.230 nan 0.000 0.403 285 F N 4.815 124.771 119.950 0.011 0.000 2.361 285 F HA 0.494 5.021 4.527 0.000 0.000 0.364 285 F C 0.189 175.994 175.800 0.008 0.000 1.117 285 F CA -0.330 57.676 58.000 0.009 0.000 1.071 285 F CB 1.392 40.396 39.000 0.007 0.000 1.188 285 F HN 0.479 nan 8.300 nan 0.000 0.464 286 C N 4.156 123.541 119.300 0.143 0.000 2.329 286 C HA 0.216 4.676 4.460 -0.000 0.000 0.329 286 C C 1.603 176.646 174.990 0.087 0.000 1.275 286 C CA -0.347 58.725 59.018 0.091 0.000 1.726 286 C CB 0.841 28.610 27.740 0.048 0.000 2.291 286 C HN 1.036 nan 8.230 nan 0.000 0.514 287 Q N 3.145 122.985 119.800 0.067 0.000 2.187 287 Q HA 0.005 4.345 4.340 -0.000 0.000 0.199 287 Q C 0.960 176.983 176.000 0.037 0.000 0.957 287 Q CA 1.119 56.952 55.803 0.049 0.000 0.857 287 Q CB 0.231 28.990 28.738 0.036 0.000 0.929 287 Q HN 0.630 nan 8.270 nan 0.000 0.453 288 K N -0.023 120.397 120.400 0.034 0.000 2.836 288 K HA 0.379 4.699 4.320 -0.000 0.000 0.300 288 K C 0.190 176.806 176.600 0.027 0.000 1.004 288 K CA 0.007 56.310 56.287 0.027 0.000 1.140 288 K CB -0.574 31.939 32.500 0.023 0.000 1.458 288 K HN 0.148 nan 8.250 nan 0.000 0.550 289 G N 0.332 109.146 108.800 0.022 0.000 2.400 289 G HA2 0.544 4.504 3.960 -0.000 0.000 0.301 289 G HA3 0.544 4.504 3.960 -0.000 0.000 0.301 289 G C -0.491 174.422 174.900 0.021 0.000 1.154 289 G CA -0.602 44.510 45.100 0.020 0.000 0.852 289 G HN 0.300 nan 8.290 nan 0.000 0.511 290 I N 1.942 122.523 120.570 0.019 0.000 2.390 290 I HA 0.135 4.305 4.170 -0.000 0.000 0.283 290 I C -0.019 176.107 176.117 0.016 0.000 1.016 290 I CA -0.701 60.610 61.300 0.019 0.000 1.151 290 I CB 1.404 39.412 38.000 0.014 0.000 1.293 290 I HN 0.424 nan 8.210 nan 0.000 0.458 291 D N 4.446 124.858 120.400 0.021 0.000 2.364 291 D HA -0.080 4.560 4.640 -0.000 0.000 0.236 291 D C 0.579 176.882 176.300 0.006 0.000 1.221 291 D CA 0.320 54.329 54.000 0.016 0.000 0.891 291 D CB 1.180 41.995 40.800 0.024 0.000 1.190 291 D HN 0.474 nan 8.370 nan 0.000 0.449 292 D N 1.517 121.913 120.400 -0.007 0.000 2.264 292 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 292 D C 1.825 178.092 176.300 -0.056 0.000 0.966 292 D CA 0.389 54.373 54.000 -0.026 0.000 0.864 292 D CB 0.157 40.938 40.800 -0.031 0.000 0.933 292 D HN 0.354 nan 8.370 nan 0.000 0.499 293 L N 0.246 121.438 121.223 -0.053 0.000 2.095 293 L HA -0.004 4.336 4.340 -0.000 0.000 0.204 293 L C 2.005 178.789 176.870 -0.144 0.000 1.080 293 L CA 0.799 55.563 54.840 -0.128 0.000 0.759 293 L CB -0.119 41.934 42.059 -0.010 0.000 0.914 293 L HN -0.049 nan 8.230 nan 0.000 0.439 294 A N -1.325 121.520 122.820 0.043 0.000 2.259 294 A HA -0.061 4.259 4.320 -0.000 0.000 0.208 294 A C 1.896 179.510 177.584 0.050 0.000 1.201 294 A CA 0.421 52.535 52.037 0.128 0.000 0.824 294 A CB -0.173 18.904 19.000 0.127 0.000 0.838 294 A HN 0.475 nan 8.150 nan 0.000 0.485 295 Q N -1.739 118.059 119.800 -0.004 0.000 2.339 295 Q HA -0.024 4.316 4.340 -0.000 0.000 0.205 295 Q C 1.851 177.844 176.000 -0.013 0.000 0.925 295 Q CA 0.664 56.463 55.803 -0.007 0.000 0.898 295 Q CB -0.081 28.653 28.738 -0.007 0.000 1.013 295 Q HN 0.946 nan 8.270 nan 0.000 0.504 296 H N -0.647 118.319 119.070 -0.173 0.000 2.448 296 H HA -0.062 4.494 4.556 -0.000 0.000 0.292 296 H C 0.951 176.199 175.328 -0.134 0.000 1.035 296 H CA 0.956 56.883 56.048 -0.202 0.000 1.349 296 H CB 0.383 29.952 29.762 -0.321 0.000 1.425 296 H HN 0.222 nan 8.280 nan 0.000 0.539 297 Y N 0.723 120.918 120.300 -0.175 0.000 2.395 297 Y HA -0.036 4.513 4.550 -0.001 0.000 0.293 297 Y C 2.650 178.459 175.900 -0.151 0.000 1.123 297 Y CA 0.365 58.343 58.100 -0.203 0.000 1.227 297 Y CB -0.269 38.151 38.460 -0.066 0.000 1.012 297 Y HN 0.150 nan 8.280 nan 0.000 0.552 298 L N -1.129 120.110 121.223 0.025 0.000 2.049 298 L HA -0.095 4.245 4.340 -0.000 0.000 0.203 298 L C 2.650 179.493 176.870 -0.044 0.000 1.074 298 L CA 0.989 55.824 54.840 -0.008 0.000 0.749 298 L CB -0.808 41.245 42.059 -0.010 0.000 0.907 298 L HN 0.148 nan 8.230 nan 0.000 0.439 299 A N -0.013 122.769 122.820 -0.063 0.000 1.948 299 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 299 A C 2.335 179.873 177.584 -0.077 0.000 1.177 299 A CA 2.065 54.065 52.037 -0.061 0.000 0.636 299 A CB -0.486 18.488 19.000 -0.043 0.000 0.815 299 A HN 0.308 nan 8.150 nan 0.000 0.449 300 K N -0.827 119.490 120.400 -0.139 0.000 2.211 300 K HA -0.105 4.214 4.320 -0.000 0.000 0.203 300 K C 1.549 178.113 176.600 -0.061 0.000 1.050 300 K CA 1.225 57.435 56.287 -0.128 0.000 0.945 300 K CB 0.020 32.383 32.500 -0.228 0.000 0.732 300 K HN 0.444 nan 8.250 nan 0.000 0.451 301 E N -1.172 119.000 120.200 -0.047 0.000 2.318 301 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 301 E C 1.071 177.655 176.600 -0.027 0.000 0.998 301 E CA 0.932 57.314 56.400 -0.030 0.000 0.859 301 E CB 0.816 30.502 29.700 -0.023 0.000 0.812 301 E HN 0.516 nan 8.360 nan 0.000 0.492 302 G N 1.550 110.332 108.800 -0.030 0.000 2.163 302 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.213 302 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.213 302 G C 0.281 175.163 174.900 -0.030 0.000 0.991 302 G CA 0.010 45.095 45.100 -0.026 0.000 0.653 302 G HN 0.186 nan 8.290 nan 0.000 0.518 303 I N 1.943 122.491 120.570 -0.036 0.000 2.352 303 I HA 0.393 4.563 4.170 -0.000 0.000 0.290 303 I C 0.877 176.955 176.117 -0.065 0.000 1.036 303 I CA -1.048 60.223 61.300 -0.047 0.000 1.336 303 I CB 1.407 39.382 38.000 -0.042 0.000 1.407 303 I HN -0.082 nan 8.210 nan 0.000 0.497 304 V N 5.108 124.970 119.914 -0.087 0.000 2.607 304 V HA 0.754 4.874 4.120 -0.000 0.000 0.289 304 V C 0.437 176.414 176.094 -0.194 0.000 1.053 304 V CA -0.438 61.791 62.300 -0.117 0.000 0.996 304 V CB 1.044 32.802 31.823 -0.109 0.000 0.995 304 V HN 0.895 nan 8.190 nan 0.000 0.476 305 A N 3.002 125.710 122.820 -0.186 0.000 2.549 305 A HA 0.950 5.270 4.320 -0.000 0.000 0.297 305 A C -0.615 176.867 177.584 -0.170 0.000 1.061 305 A CA -0.226 51.679 52.037 -0.219 0.000 0.690 305 A CB 1.895 20.822 19.000 -0.121 0.000 1.287 305 A HN 1.694 nan 8.150 nan 0.000 0.402 306 A N 1.794 124.515 122.820 -0.166 0.000 2.374 306 A HA 0.774 5.094 4.320 -0.000 0.000 0.305 306 A C -0.100 177.507 177.584 0.037 0.000 1.053 306 A CA -0.667 51.358 52.037 -0.020 0.000 0.726 306 A CB 0.945 19.994 19.000 0.083 0.000 1.229 306 A HN 1.229 nan 8.150 nan 0.000 0.431 307 R N 2.290 122.812 120.500 0.037 0.000 2.536 307 R HA 0.613 4.953 4.340 -0.000 0.000 0.279 307 R C -0.623 175.707 176.300 0.051 0.000 1.001 307 R CA -0.452 55.673 56.100 0.041 0.000 1.027 307 R CB 0.564 30.878 30.300 0.024 0.000 1.096 307 R HN 0.784 nan 8.270 nan 0.000 0.502 308 R N 0.472 121.000 120.500 0.047 0.000 3.267 308 R HA -0.109 4.231 4.340 -0.000 0.000 0.254 308 R C -0.607 175.720 176.300 0.045 0.000 0.993 308 R CA 0.672 56.795 56.100 0.040 0.000 0.670 308 R CB -1.916 28.401 30.300 0.028 0.000 1.125 308 R HN 0.467 nan 8.270 nan 0.000 0.434 309 V N 2.072 122.024 119.914 0.063 0.000 2.583 309 V HA 0.075 4.195 4.120 -0.000 0.000 0.287 309 V C 1.282 177.389 176.094 0.021 0.000 1.051 309 V CA -0.363 61.969 62.300 0.054 0.000 1.010 309 V CB 1.353 33.229 31.823 0.088 0.000 0.988 309 V HN 0.117 nan 8.190 nan 0.000 0.478 310 K N 3.513 123.914 120.400 0.002 0.000 2.586 310 K HA -0.111 4.208 4.320 -0.000 0.000 0.280 310 K C 1.279 177.872 176.600 -0.013 0.000 0.972 310 K CA 0.359 56.641 56.287 -0.009 0.000 1.040 310 K CB 0.443 32.930 32.500 -0.021 0.000 0.870 310 K HN 0.652 nan 8.250 nan 0.000 0.497 311 K N 1.953 122.348 120.400 -0.009 0.000 2.097 311 K HA -0.182 4.137 4.320 -0.000 0.000 0.206 311 K C 1.828 178.415 176.600 -0.021 0.000 1.049 311 K CA 1.909 58.190 56.287 -0.010 0.000 0.933 311 K CB 0.024 32.522 32.500 -0.005 0.000 0.717 311 K HN 0.639 nan 8.250 nan 0.000 0.442 312 S N 0.521 116.206 115.700 -0.025 0.000 2.382 312 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 312 S C 1.527 176.096 174.600 -0.052 0.000 1.027 312 S CA 1.411 59.590 58.200 -0.034 0.000 0.991 312 S CB -0.290 62.891 63.200 -0.032 0.000 0.823 312 S HN 0.297 nan 8.310 nan 0.000 0.469 313 D N 0.596 120.959 120.400 -0.061 0.000 2.348 313 D HA 0.121 4.761 4.640 -0.000 0.000 0.216 313 D C 1.627 177.855 176.300 -0.120 0.000 0.970 313 D CA 0.571 54.512 54.000 -0.099 0.000 0.889 313 D CB -0.050 40.689 40.800 -0.102 0.000 0.912 313 D HN 0.344 nan 8.370 nan 0.000 0.524 314 M N -0.182 119.373 119.600 -0.075 0.000 2.357 314 M HA 0.024 4.503 4.480 -0.000 0.000 0.266 314 M C 1.775 178.042 176.300 -0.056 0.000 1.095 314 M CA 0.862 56.125 55.300 -0.062 0.000 1.156 314 M CB -0.514 32.075 32.600 -0.019 0.000 1.365 314 M HN -0.004 nan 8.290 nan 0.000 0.447 315 E N 0.115 120.287 120.200 -0.046 0.000 2.107 315 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 315 E C 2.039 178.609 176.600 -0.050 0.000 0.982 315 E CA 0.630 57.007 56.400 -0.037 0.000 0.809 315 E CB 0.042 29.725 29.700 -0.028 0.000 0.756 315 E HN 0.278 nan 8.360 nan 0.000 0.459 316 K N 0.740 121.099 120.400 -0.068 0.000 2.063 316 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 316 K C 2.175 178.718 176.600 -0.095 0.000 1.048 316 K CA 1.022 57.260 56.287 -0.081 0.000 0.928 316 K CB -0.288 32.152 32.500 -0.100 0.000 0.713 316 K HN 0.211 nan 8.250 nan 0.000 0.442 317 L N 0.309 121.456 121.223 -0.128 0.000 2.131 317 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 317 L C 2.565 179.394 176.870 -0.069 0.000 1.087 317 L CA 0.815 55.568 54.840 -0.145 0.000 0.767 317 L CB -0.518 41.386 42.059 -0.260 0.000 0.917 317 L HN 0.085 nan 8.230 nan 0.000 0.441 318 A N 0.738 123.530 122.820 -0.047 0.000 1.892 318 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 318 A C 2.303 179.881 177.584 -0.009 0.000 1.188 318 A CA 2.111 54.138 52.037 -0.016 0.000 0.631 318 A CB -0.342 18.651 19.000 -0.012 0.000 0.822 318 A HN 0.400 nan 8.150 nan 0.000 0.447 319 K N -0.717 119.672 120.400 -0.017 0.000 2.098 319 K HA 0.218 4.537 4.320 -0.000 0.000 0.203 319 K C 2.288 178.886 176.600 -0.002 0.000 1.051 319 K CA 0.860 57.143 56.287 -0.006 0.000 0.957 319 K CB -0.237 32.256 32.500 -0.012 0.000 0.738 319 K HN 0.374 nan 8.250 nan 0.000 0.447 320 A N 1.646 124.454 122.820 -0.020 0.000 1.929 320 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 320 A C 2.273 179.859 177.584 0.003 0.000 1.176 320 A CA 1.952 53.978 52.037 -0.018 0.000 0.628 320 A CB -0.829 18.148 19.000 -0.039 0.000 0.816 320 A HN 0.446 nan 8.150 nan 0.000 0.444 321 T N -4.494 110.064 114.554 0.007 0.000 3.009 321 T HA 0.389 4.739 4.350 -0.000 0.000 0.258 321 T C 1.342 176.066 174.700 0.041 0.000 1.063 321 T CA 1.150 63.266 62.100 0.028 0.000 1.139 321 T CB -0.084 68.803 68.868 0.032 0.000 0.890 321 T HN 1.710 nan 8.240 nan 0.000 0.471 322 G N 1.209 110.031 108.800 0.036 0.000 2.215 322 G HA2 0.219 4.179 3.960 -0.000 0.000 0.198 322 G HA3 0.219 4.179 3.960 -0.000 0.000 0.198 322 G C 0.097 175.015 174.900 0.031 0.000 1.047 322 G CA -0.129 44.994 45.100 0.039 0.000 0.747 322 G HN 0.985 nan 8.290 nan 0.000 0.495 323 A N -0.357 122.480 122.820 0.028 0.000 2.580 323 A HA 0.913 5.233 4.320 -0.000 0.000 0.275 323 A C 0.273 177.871 177.584 0.024 0.000 1.321 323 A CA -0.653 51.402 52.037 0.031 0.000 0.924 323 A CB 0.907 19.931 19.000 0.041 0.000 1.512 323 A HN 0.427 nan 8.150 nan 0.000 0.492 324 N N -0.820 117.896 118.700 0.027 0.000 2.336 324 N HA 0.318 5.058 4.740 -0.000 0.000 0.290 324 N C -1.688 173.837 175.510 0.025 0.000 1.058 324 N CA -0.336 52.727 53.050 0.022 0.000 0.865 324 N CB 2.101 40.599 38.487 0.019 0.000 1.581 324 N HN 0.242 nan 8.380 nan 0.000 0.480 325 V N 3.852 123.778 119.914 0.020 0.000 2.381 325 V HA 0.190 4.309 4.120 -0.000 0.000 0.257 325 V C 0.475 176.582 176.094 0.020 0.000 1.057 325 V CA -0.060 62.253 62.300 0.022 0.000 1.013 325 V CB -0.298 31.534 31.823 0.015 0.000 1.069 325 V HN 0.454 nan 8.190 nan 0.000 0.484 326 I N 4.897 125.482 120.570 0.025 0.000 2.315 326 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 326 I C 1.368 177.498 176.117 0.020 0.000 1.006 326 I CA 0.266 61.578 61.300 0.021 0.000 1.265 326 I CB 1.434 39.447 38.000 0.021 0.000 1.387 326 I HN 0.499 nan 8.210 nan 0.000 0.475 327 T N 4.193 118.756 114.554 0.016 0.000 3.009 327 T HA -0.023 4.326 4.350 -0.000 0.000 0.258 327 T C 0.946 175.654 174.700 0.014 0.000 1.063 327 T CA 0.699 62.808 62.100 0.015 0.000 1.139 327 T CB -0.147 68.729 68.868 0.012 0.000 0.890 327 T HN 0.406 nan 8.240 nan 0.000 0.471 328 N N 1.432 120.139 118.700 0.012 0.000 2.462 328 N HA 0.248 4.988 4.740 -0.000 0.000 0.242 328 N C 0.653 176.169 175.510 0.011 0.000 1.010 328 N CA -0.327 52.729 53.050 0.011 0.000 0.939 328 N CB 0.440 38.932 38.487 0.008 0.000 1.127 328 N HN 0.167 nan 8.380 nan 0.000 0.509 329 I N 3.240 123.817 120.570 0.012 0.000 2.454 329 I HA -0.223 3.947 4.170 -0.000 0.000 0.254 329 I C 1.438 177.559 176.117 0.007 0.000 1.156 329 I CA 1.143 62.449 61.300 0.011 0.000 1.433 329 I CB 0.254 38.261 38.000 0.012 0.000 1.082 329 I HN 0.429 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 1.180 177.782 176.600 0.003 0.000 1.050 330 K CA 1.506 57.795 56.287 0.003 0.000 0.935 330 K CB -0.614 31.887 32.500 0.002 0.000 0.715 330 K HN 0.350 nan 8.250 nan 0.000 0.439 331 D N 0.900 121.303 120.400 0.005 0.000 2.344 331 D HA -0.031 4.609 4.640 -0.000 0.000 0.242 331 D C -0.522 175.782 176.300 0.007 0.000 1.159 331 D CA -0.088 53.916 54.000 0.006 0.000 0.859 331 D CB -0.096 40.708 40.800 0.006 0.000 0.925 331 D HN -0.140 nan 8.370 nan 0.000 0.510 332 L N 0.948 122.175 121.223 0.007 0.000 2.462 332 L HA 0.200 4.540 4.340 -0.000 0.000 0.283 332 L C 0.231 177.105 176.870 0.007 0.000 1.166 332 L CA 0.151 54.996 54.840 0.009 0.000 0.964 332 L CB -0.233 41.832 42.059 0.010 0.000 1.294 332 L HN -0.155 nan 8.230 nan 0.000 0.449 333 S N 2.813 118.518 115.700 0.008 0.000 2.596 333 S HA 0.428 4.898 4.470 -0.000 0.000 0.260 333 S C 1.290 175.894 174.600 0.008 0.000 1.336 333 S CA 0.094 58.298 58.200 0.007 0.000 0.993 333 S CB 1.048 64.252 63.200 0.006 0.000 0.923 333 S HN 0.776 nan 8.310 nan 0.000 0.567 334 A N 1.228 124.052 122.820 0.006 0.000 2.275 334 A HA 0.226 4.546 4.320 -0.000 0.000 0.212 334 A C 1.125 178.714 177.584 0.009 0.000 1.201 334 A CA 0.202 52.243 52.037 0.007 0.000 0.843 334 A CB -0.162 18.841 19.000 0.004 0.000 0.873 334 A HN 0.709 nan 8.150 nan 0.000 0.492 335 Q N -0.298 119.507 119.800 0.009 0.000 2.171 335 Q HA 0.123 4.463 4.340 -0.000 0.000 0.218 335 Q C -0.246 175.762 176.000 0.013 0.000 0.822 335 Q CA 0.131 55.940 55.803 0.010 0.000 0.987 335 Q CB 0.610 29.352 28.738 0.006 0.000 1.144 335 Q HN 0.370 nan 8.270 nan 0.000 0.494 336 D N -0.019 120.390 120.400 0.016 0.000 2.319 336 D HA 0.079 4.719 4.640 -0.000 0.000 0.230 336 D C -0.280 176.037 176.300 0.028 0.000 1.094 336 D CA 0.250 54.262 54.000 0.020 0.000 0.856 336 D CB 0.347 41.158 40.800 0.019 0.000 0.915 336 D HN 0.238 nan 8.370 nan 0.000 0.517 337 L N 0.358 121.598 121.223 0.028 0.000 2.307 337 L HA 0.503 4.843 4.340 -0.000 0.000 0.282 337 L C 1.351 178.244 176.870 0.039 0.000 1.051 337 L CA -0.902 53.960 54.840 0.037 0.000 0.804 337 L CB 1.635 43.713 42.059 0.032 0.000 1.197 337 L HN -0.086 nan 8.230 nan 0.000 0.431 338 G N 0.968 109.799 108.800 0.051 0.000 2.508 338 G HA2 0.296 4.255 3.960 -0.000 0.000 0.278 338 G HA3 0.296 4.255 3.960 -0.000 0.000 0.278 338 G C -1.366 173.564 174.900 0.050 0.000 1.389 338 G CA -0.068 45.062 45.100 0.049 0.000 1.050 338 G HN 0.649 nan 8.290 nan 0.000 0.522 339 D N -1.566 118.865 120.400 0.051 0.000 2.763 339 D HA 0.554 5.193 4.640 -0.000 0.000 0.235 339 D C -0.567 175.765 176.300 0.053 0.000 1.334 339 D CA -0.113 53.916 54.000 0.049 0.000 0.950 339 D CB 1.508 42.332 40.800 0.040 0.000 1.433 339 D HN 0.560 nan 8.370 nan 0.000 0.580 340 A N 1.949 124.805 122.820 0.060 0.000 2.356 340 A HA 0.640 4.960 4.320 -0.000 0.000 0.310 340 A C 1.051 178.668 177.584 0.055 0.000 1.075 340 A CA -0.426 51.647 52.037 0.060 0.000 0.746 340 A CB 1.587 20.632 19.000 0.074 0.000 1.221 340 A HN 0.590 nan 8.150 nan 0.000 0.443 341 G N 0.487 109.316 108.800 0.048 0.000 2.990 341 G HA2 0.387 4.347 3.960 -0.000 0.000 0.206 341 G HA3 0.387 4.347 3.960 -0.000 0.000 0.206 341 G C 0.074 175.000 174.900 0.042 0.000 1.169 341 G CA 0.726 45.851 45.100 0.040 0.000 0.819 341 G HN 0.922 nan 8.290 nan 0.000 0.517 342 L N -0.472 120.784 121.223 0.056 0.000 2.830 342 L HA 0.322 4.662 4.340 -0.000 0.000 0.259 342 L C -1.769 175.156 176.870 0.091 0.000 0.926 342 L CA -0.697 54.179 54.840 0.060 0.000 0.993 342 L CB 1.884 43.972 42.059 0.050 0.000 1.589 342 L HN -0.175 nan 8.230 nan 0.000 0.460 343 V N 3.477 123.446 119.914 0.092 0.000 2.409 343 V HA 0.560 4.680 4.120 -0.000 0.000 0.290 343 V C -0.506 175.655 176.094 0.111 0.000 1.017 343 V CA -0.420 61.961 62.300 0.134 0.000 0.841 343 V CB 1.606 33.516 31.823 0.145 0.000 1.003 343 V HN 0.726 nan 8.190 nan 0.000 0.426 344 E N 3.047 123.334 120.200 0.144 0.000 2.314 344 E HA 0.436 4.786 4.350 -0.000 0.000 0.272 344 E C -1.132 175.556 176.600 0.147 0.000 0.884 344 E CA -0.693 55.763 56.400 0.093 0.000 0.753 344 E CB 2.508 32.216 29.700 0.014 0.000 1.213 344 E HN 0.739 nan 8.360 nan 0.000 0.432 345 E N 3.940 124.198 120.200 0.096 0.000 2.089 345 E HA 0.227 4.577 4.350 -0.000 0.000 0.284 345 E C -0.795 175.838 176.600 0.055 0.000 1.023 345 E CA -0.274 56.197 56.400 0.119 0.000 0.819 345 E CB 0.709 30.458 29.700 0.082 0.000 1.076 345 E HN 0.326 nan 8.360 nan 0.000 0.396 346 R N 3.398 123.943 120.500 0.076 0.000 2.778 346 R HA 0.390 4.730 4.340 -0.000 0.000 0.277 346 R C -0.482 175.862 176.300 0.074 0.000 0.977 346 R CA -0.928 55.145 56.100 -0.045 0.000 0.950 346 R CB 1.748 31.811 30.300 -0.394 0.000 1.165 346 R HN 0.283 nan 8.270 nan 0.000 0.474 347 K N 1.904 122.320 120.400 0.026 0.000 2.253 347 K HA 0.325 4.645 4.320 -0.000 0.000 0.277 347 K C -0.912 175.720 176.600 0.052 0.000 1.053 347 K CA -0.416 55.903 56.287 0.055 0.000 0.892 347 K CB 0.865 33.383 32.500 0.029 0.000 1.102 347 K HN 0.250 nan 8.250 nan 0.000 0.469 348 I N 2.313 122.951 120.570 0.113 0.000 2.439 348 I HA 0.030 4.200 4.170 -0.000 0.000 0.283 348 I C 0.059 176.229 176.117 0.087 0.000 1.023 348 I CA 0.454 61.824 61.300 0.116 0.000 1.100 348 I CB 1.640 39.790 38.000 0.251 0.000 1.238 348 I HN 0.720 nan 8.210 nan 0.000 0.445 349 S N 4.644 120.375 115.700 0.052 0.000 3.748 349 S HA -0.143 4.327 4.470 -0.000 0.000 0.329 349 S C 1.093 175.711 174.600 0.030 0.000 1.104 349 S CA 1.566 59.787 58.200 0.035 0.000 0.954 349 S CB -1.423 61.797 63.200 0.034 0.000 0.910 349 S HN 2.029 nan 8.310 nan 0.000 0.494 350 G N 0.350 109.168 108.800 0.030 0.000 3.757 350 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.215 350 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.215 350 G C -0.305 174.615 174.900 0.032 0.000 1.411 350 G CA 0.267 45.382 45.100 0.025 0.000 0.896 350 G HN 0.798 nan 8.290 nan 0.000 0.581 351 D N 1.853 122.275 120.400 0.037 0.000 2.423 351 D HA 0.472 5.112 4.640 -0.000 0.000 0.238 351 D C 0.812 177.153 176.300 0.068 0.000 1.142 351 D CA 0.982 55.007 54.000 0.042 0.000 0.884 351 D CB 1.296 42.116 40.800 0.033 0.000 1.199 351 D HN 0.795 nan 8.370 nan 0.000 0.438 352 S N 1.174 116.914 115.700 0.067 0.000 2.438 352 S HA 0.672 5.142 4.470 -0.000 0.000 0.316 352 S C -0.150 174.518 174.600 0.114 0.000 1.084 352 S CA -0.900 57.358 58.200 0.095 0.000 1.107 352 S CB 0.865 64.107 63.200 0.069 0.000 0.981 352 S HN 0.352 nan 8.310 nan 0.000 0.466 353 M N 2.608 122.323 119.600 0.191 0.000 2.716 353 M HA 0.538 5.018 4.480 -0.000 0.000 0.307 353 M C -0.929 175.531 176.300 0.267 0.000 1.223 353 M CA -0.772 54.621 55.300 0.154 0.000 0.871 353 M CB 2.095 34.700 32.600 0.009 0.000 1.739 353 M HN 0.573 nan 8.290 nan 0.000 0.475 354 I N 2.155 122.829 120.570 0.174 0.000 2.307 354 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 354 I C -1.162 175.082 176.117 0.212 0.000 1.054 354 I CA -0.305 61.147 61.300 0.254 0.000 1.218 354 I CB 0.066 38.231 38.000 0.275 0.000 1.398 354 I HN 0.370 nan 8.210 nan 0.000 0.475 355 F N 5.644 125.635 119.950 0.069 0.000 2.467 355 F HA 0.197 4.724 4.527 0.000 0.000 0.362 355 F C 0.710 176.550 175.800 0.065 0.000 1.090 355 F CA -0.406 57.622 58.000 0.047 0.000 1.202 355 F CB 0.886 39.905 39.000 0.031 0.000 1.113 355 F HN 0.074 nan 8.300 nan 0.000 0.541 356 V N 4.357 124.366 119.914 0.160 0.000 2.435 356 V HA 0.144 4.263 4.120 -0.000 0.000 0.263 356 V C 0.200 176.350 176.094 0.092 0.000 1.087 356 V CA -0.517 61.858 62.300 0.125 0.000 1.253 356 V CB -0.770 31.085 31.823 0.053 0.000 1.462 356 V HN 0.760 nan 8.190 nan 0.000 0.547 357 E N 0.875 121.151 120.200 0.127 0.000 2.790 357 E HA 0.428 4.777 4.350 -0.000 0.000 0.256 357 E C -0.301 176.341 176.600 0.070 0.000 1.246 357 E CA -0.808 55.652 56.400 0.101 0.000 1.041 357 E CB 0.576 30.362 29.700 0.143 0.000 1.272 357 E HN 0.341 nan 8.360 nan 0.000 0.603 358 E N -1.004 119.230 120.200 0.055 0.000 2.199 358 E HA -0.222 4.128 4.350 -0.000 0.000 0.208 358 E C -0.638 175.986 176.600 0.039 0.000 1.310 358 E CA 0.058 56.483 56.400 0.041 0.000 0.709 358 E CB -1.878 27.846 29.700 0.039 0.000 1.127 358 E HN 0.353 nan 8.360 nan 0.000 0.354 359 C N 0.553 119.873 119.300 0.034 0.000 2.563 359 C HA 0.118 4.578 4.460 -0.000 0.000 0.358 359 C C 2.013 177.026 174.990 0.038 0.000 1.336 359 C CA -0.606 58.433 59.018 0.035 0.000 2.454 359 C CB 0.854 28.611 27.740 0.027 0.000 2.448 359 C HN 0.441 nan 8.230 nan 0.000 0.670 360 K N 0.365 120.798 120.400 0.055 0.000 2.056 360 K HA 0.025 4.345 4.320 -0.000 0.000 0.205 360 K C 0.479 177.146 176.600 0.113 0.000 1.035 360 K CA 1.363 57.696 56.287 0.075 0.000 0.955 360 K CB -0.380 32.167 32.500 0.078 0.000 0.769 360 K HN 0.691 nan 8.250 nan 0.000 0.447 361 H N 1.544 120.618 119.070 0.007 0.000 2.418 361 H HA 0.267 4.822 4.556 -0.001 0.000 0.238 361 H C -2.633 172.696 175.328 0.002 0.000 1.403 361 H CA -2.195 53.856 56.048 0.004 0.000 1.419 361 H CB 0.473 30.238 29.762 0.004 0.000 1.463 361 H HN -0.066 nan 8.280 nan 0.000 0.515 362 P HA 0.140 nan 4.420 nan 0.000 0.276 362 P C 0.177 177.408 177.300 -0.115 0.000 1.243 362 P CA -0.491 62.561 63.100 -0.079 0.000 0.768 362 P CB 1.139 32.797 31.700 -0.070 0.000 0.856 363 K N 1.064 121.434 120.400 -0.051 0.000 2.373 363 K HA 0.475 4.795 4.320 -0.000 0.000 0.202 363 K C 0.220 176.799 176.600 -0.035 0.000 1.025 363 K CA -0.140 56.124 56.287 -0.040 0.000 1.115 363 K CB 0.656 33.157 32.500 0.001 0.000 0.858 363 K HN 0.495 nan 8.250 nan 0.000 0.525 364 A N 0.129 122.925 122.820 -0.040 0.000 2.475 364 A HA 0.762 5.082 4.320 -0.000 0.000 0.301 364 A C -1.075 176.481 177.584 -0.045 0.000 1.059 364 A CA -0.575 51.437 52.037 -0.042 0.000 0.710 364 A CB 1.758 20.732 19.000 -0.045 0.000 1.288 364 A HN -0.115 nan 8.150 nan 0.000 0.408 365 V N 0.266 120.153 119.914 -0.044 0.000 3.049 365 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 365 V C -0.347 175.721 176.094 -0.042 0.000 1.148 365 V CA -0.529 61.747 62.300 -0.041 0.000 0.990 365 V CB 2.524 34.325 31.823 -0.037 0.000 1.039 365 V HN 0.957 nan 8.190 nan 0.000 0.430 366 T N 4.581 119.112 114.554 -0.039 0.000 2.807 366 T HA 0.523 4.873 4.350 -0.000 0.000 0.279 366 T C -0.459 174.224 174.700 -0.029 0.000 0.993 366 T CA -0.455 61.618 62.100 -0.045 0.000 0.970 366 T CB 1.144 69.973 68.868 -0.066 0.000 0.950 366 T HN 0.375 nan 8.240 nan 0.000 0.441 367 M N 3.779 123.362 119.600 -0.027 0.000 2.063 367 M HA 0.324 4.804 4.480 -0.000 0.000 0.348 367 M C -0.749 175.541 176.300 -0.016 0.000 1.180 367 M CA -0.914 54.376 55.300 -0.016 0.000 1.059 367 M CB 0.716 33.307 32.600 -0.014 0.000 1.544 367 M HN 0.367 nan 8.290 nan 0.000 0.447 368 L N 6.564 127.785 121.223 -0.003 0.000 2.295 368 L HA 0.443 4.782 4.340 -0.000 0.000 0.288 368 L C -0.468 176.408 176.870 0.010 0.000 1.079 368 L CA 0.198 55.040 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 0.505 nan 8.230 nan 0.000 0.438 369 I N 5.538 126.109 120.570 0.002 0.000 2.440 369 I HA 0.472 4.641 4.170 -0.000 0.000 0.294 369 I C 0.121 176.243 176.117 0.009 0.000 0.995 369 I CA -0.676 60.627 61.300 0.005 0.000 1.306 369 I CB 0.827 38.827 38.000 -0.000 0.000 1.407 369 I HN 0.539 nan 8.210 nan 0.000 0.501 370 R N 3.590 124.097 120.500 0.012 0.000 2.740 370 R HA 0.812 5.152 4.340 -0.000 0.000 0.273 370 R C -0.744 175.563 176.300 0.010 0.000 0.998 370 R CA -1.038 55.070 56.100 0.013 0.000 0.900 370 R CB 2.517 32.830 30.300 0.021 0.000 1.223 370 R HN 0.885 nan 8.270 nan 0.000 0.466 371 G N -0.428 108.377 108.800 0.008 0.000 2.547 371 G HA2 0.254 4.213 3.960 -0.000 0.000 0.291 371 G HA3 0.254 4.213 3.960 -0.000 0.000 0.291 371 G C 0.526 175.429 174.900 0.006 0.000 1.471 371 G CA -0.230 44.875 45.100 0.008 0.000 0.798 371 G HN 0.502 nan 8.290 nan 0.000 0.504 372 T N -1.776 112.783 114.554 0.008 0.000 2.595 372 T HA 0.001 4.351 4.350 -0.000 0.000 0.264 372 T C 1.734 176.436 174.700 0.003 0.000 1.058 372 T CA 2.401 64.505 62.100 0.007 0.000 1.166 372 T CB -0.806 68.067 68.868 0.009 0.000 0.863 372 T HN 1.383 nan 8.240 nan 0.000 0.415 373 T N -0.979 113.579 114.554 0.007 0.000 2.880 373 T HA 0.492 4.842 4.350 -0.000 0.000 0.279 373 T C 1.017 175.703 174.700 -0.024 0.000 0.990 373 T CA -0.215 61.884 62.100 -0.001 0.000 0.938 373 T CB 1.763 70.643 68.868 0.021 0.000 1.206 373 T HN 0.183 nan 8.240 nan 0.000 0.573 374 E N -0.636 119.518 120.200 -0.076 0.000 2.086 374 E HA 0.001 4.351 4.350 -0.000 0.000 0.190 374 E C 1.832 178.334 176.600 -0.162 0.000 0.975 374 E CA 1.413 57.720 56.400 -0.155 0.000 0.813 374 E CB -0.557 28.981 29.700 -0.270 0.000 0.768 374 E HN 0.853 nan 8.360 nan 0.000 0.457 375 H N -1.128 117.944 119.070 0.003 0.000 2.529 375 H HA 0.071 4.626 4.556 -0.000 0.000 0.277 375 H C 1.840 177.170 175.328 0.003 0.000 0.999 375 H CA 0.794 56.844 56.048 0.002 0.000 1.256 375 H CB 0.451 30.215 29.762 0.002 0.000 1.402 375 H HN 0.001 nan 8.280 nan 0.000 0.566 376 V N 0.512 120.485 119.914 0.098 0.000 2.379 376 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 376 V C 2.198 178.314 176.094 0.036 0.000 1.044 376 V CA 1.531 63.866 62.300 0.058 0.000 1.036 376 V CB -0.275 31.572 31.823 0.039 0.000 0.664 376 V HN 0.423 nan 8.190 nan 0.000 0.453 377 I N -0.277 120.304 120.570 0.018 0.000 2.226 377 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 377 I C 2.594 178.718 176.117 0.012 0.000 1.100 377 I CA 1.656 62.960 61.300 0.007 0.000 1.374 377 I CB -0.299 37.695 38.000 -0.010 0.000 1.057 377 I HN 0.374 nan 8.210 nan 0.000 0.413 378 E N 0.503 120.714 120.200 0.019 0.000 2.150 378 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 378 E C 1.878 178.500 176.600 0.037 0.000 0.985 378 E CA 1.118 57.534 56.400 0.027 0.000 0.814 378 E CB 0.204 29.932 29.700 0.047 0.000 0.752 378 E HN 0.339 nan 8.360 nan 0.000 0.466 379 E N -0.369 119.858 120.200 0.045 0.000 2.250 379 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 379 E C 1.778 178.392 176.600 0.024 0.000 0.986 379 E CA 0.269 56.690 56.400 0.035 0.000 0.849 379 E CB 0.198 29.921 29.700 0.038 0.000 0.797 379 E HN 0.005 nan 8.360 nan 0.000 0.482 380 V N 0.635 120.562 119.914 0.022 0.000 2.626 380 V HA -0.196 3.924 4.120 -0.000 0.000 0.252 380 V C 2.189 178.290 176.094 0.011 0.000 1.067 380 V CA 1.660 63.969 62.300 0.015 0.000 1.081 380 V CB -0.542 31.288 31.823 0.013 0.000 0.686 380 V HN 0.466 nan 8.190 nan 0.000 0.468 381 A N -0.293 122.534 122.820 0.011 0.000 1.897 381 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 381 A C 2.343 179.930 177.584 0.006 0.000 1.181 381 A CA 1.279 53.320 52.037 0.006 0.000 0.620 381 A CB -0.442 18.560 19.000 0.004 0.000 0.821 381 A HN 0.449 nan 8.150 nan 0.000 0.443 382 R N -0.507 119.999 120.500 0.010 0.000 2.193 382 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 382 R C 2.262 178.566 176.300 0.008 0.000 1.110 382 R CA 0.962 57.067 56.100 0.009 0.000 0.988 382 R CB -0.305 30.002 30.300 0.013 0.000 0.871 382 R HN 0.536 nan 8.270 nan 0.000 0.458 383 A N 0.270 123.096 122.820 0.010 0.000 1.930 383 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 383 A C 2.197 179.785 177.584 0.007 0.000 1.176 383 A CA 0.815 52.858 52.037 0.010 0.000 0.632 383 A CB -0.166 18.842 19.000 0.012 0.000 0.819 383 A HN 0.102 nan 8.150 nan 0.000 0.445 384 V N 0.640 120.557 119.914 0.005 0.000 2.515 384 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 384 V C 1.970 178.064 176.094 -0.000 0.000 1.058 384 V CA 2.101 64.402 62.300 0.002 0.000 1.064 384 V CB -0.666 31.158 31.823 0.000 0.000 0.675 384 V HN 0.481 nan 8.190 nan 0.000 0.461 385 D N -0.066 120.333 120.400 -0.000 0.000 2.178 385 D HA -0.131 4.509 4.640 -0.000 0.000 0.202 385 D C 1.814 178.113 176.300 -0.001 0.000 0.974 385 D CA 1.131 55.130 54.000 -0.002 0.000 0.841 385 D CB -0.043 40.756 40.800 -0.001 0.000 0.953 385 D HN 0.428 nan 8.370 nan 0.000 0.478 386 D N 0.393 120.793 120.400 0.001 0.000 2.137 386 D HA -0.015 4.625 4.640 -0.000 0.000 0.202 386 D C 2.041 178.342 176.300 0.002 0.000 0.970 386 D CA 0.857 54.858 54.000 0.001 0.000 0.837 386 D CB -0.220 40.582 40.800 0.003 0.000 0.981 386 D HN 0.061 nan 8.370 nan 0.000 0.475 387 A N 0.904 123.725 122.820 0.003 0.000 1.849 387 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 387 A C 2.469 180.053 177.584 -0.000 0.000 1.202 387 A CA 1.812 53.851 52.037 0.003 0.000 0.629 387 A CB -1.056 17.947 19.000 0.003 0.000 0.834 387 A HN 0.132 nan 8.150 nan 0.000 0.447 388 V N 0.104 120.017 119.914 -0.002 0.000 2.636 388 V HA -0.240 3.880 4.120 -0.000 0.000 0.258 388 V C 2.556 178.648 176.094 -0.005 0.000 1.092 388 V CA 1.930 64.227 62.300 -0.005 0.000 1.110 388 V CB -1.510 30.308 31.823 -0.007 0.000 0.685 388 V HN 0.685 nan 8.190 nan 0.000 0.481 389 G N 0.385 109.183 108.800 -0.003 0.000 2.404 389 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.213 389 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.213 389 G C 1.648 176.547 174.900 -0.003 0.000 1.189 389 G CA 1.107 46.205 45.100 -0.003 0.000 0.796 389 G HN 0.541 nan 8.290 nan 0.000 0.532 390 V N -0.880 119.033 119.914 -0.001 0.000 2.515 390 V HA -0.064 4.056 4.120 -0.000 0.000 0.250 390 V C 2.652 178.746 176.094 -0.000 0.000 1.058 390 V CA 1.292 63.592 62.300 -0.001 0.000 1.064 390 V CB -0.709 31.114 31.823 0.001 0.000 0.675 390 V HN 0.121 nan 8.190 nan 0.000 0.461 391 V N 2.076 121.990 119.914 -0.001 0.000 2.270 391 V HA -0.088 4.032 4.120 -0.000 0.000 0.245 391 V C 2.951 179.043 176.094 -0.003 0.000 1.043 391 V CA 2.436 64.735 62.300 -0.001 0.000 1.014 391 V CB -1.466 30.356 31.823 -0.002 0.000 0.645 391 V HN 0.611 nan 8.190 nan 0.000 0.447 392 G N -1.661 107.136 108.800 -0.004 0.000 2.475 392 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 392 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 392 G C 1.690 176.587 174.900 -0.004 0.000 1.125 392 G CA 1.371 46.468 45.100 -0.005 0.000 0.755 392 G HN 0.539 nan 8.290 nan 0.000 0.565 393 C N 0.293 119.592 119.300 -0.003 0.000 2.464 393 C HA 0.077 4.537 4.460 -0.000 0.000 0.278 393 C C 3.181 178.170 174.990 -0.002 0.000 1.375 393 C CA 1.458 60.475 59.018 -0.002 0.000 1.761 393 C CB -0.750 26.988 27.740 -0.002 0.000 1.944 393 C HN 0.474 nan 8.230 nan 0.000 0.509 394 T N 1.161 115.715 114.554 -0.001 0.000 2.735 394 T HA -0.014 4.335 4.350 -0.000 0.000 0.256 394 T C 1.699 176.398 174.700 -0.000 0.000 1.042 394 T CA 1.122 63.221 62.100 -0.000 0.000 1.147 394 T CB -0.258 68.611 68.868 0.001 0.000 0.865 394 T HN 0.402 nan 8.240 nan 0.000 0.421 395 I N 1.311 121.880 120.570 -0.001 0.000 2.113 395 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 395 I C 2.769 178.886 176.117 -0.001 0.000 1.057 395 I CA 1.723 63.022 61.300 -0.001 0.000 1.314 395 I CB -0.450 37.549 38.000 -0.003 0.000 1.022 395 I HN 0.367 nan 8.210 nan 0.000 0.408 396 E N 0.419 120.618 120.200 -0.002 0.000 2.017 396 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 396 E C 1.846 178.445 176.600 -0.001 0.000 0.997 396 E CA 1.571 57.970 56.400 -0.001 0.000 0.804 396 E CB -0.060 29.639 29.700 -0.002 0.000 0.757 396 E HN 0.467 nan 8.360 nan 0.000 0.448 397 D N -1.489 118.910 120.400 -0.001 0.000 2.084 397 D HA -0.064 4.576 4.640 -0.000 0.000 0.199 397 D C 1.517 177.817 176.300 -0.000 0.000 0.981 397 D CA 1.756 55.755 54.000 -0.001 0.000 0.841 397 D CB -0.168 40.631 40.800 -0.001 0.000 0.997 397 D HN 0.389 nan 8.370 nan 0.000 0.454 398 G N -0.235 108.565 108.800 0.000 0.000 2.232 398 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.226 398 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.226 398 G C 0.440 175.341 174.900 0.001 0.000 0.996 398 G CA 0.041 45.142 45.100 0.001 0.000 0.626 398 G HN 0.332 nan 8.290 nan 0.000 0.509 399 R N 0.464 120.964 120.500 0.000 0.000 2.664 399 R HA 0.822 5.161 4.340 -0.000 0.000 0.286 399 R C 0.332 176.632 176.300 0.001 0.000 0.967 399 R CA -0.278 55.822 56.100 0.001 0.000 0.933 399 R CB 1.770 32.069 30.300 -0.000 0.000 1.146 399 R HN 0.627 nan 8.270 nan 0.000 0.468 400 I N -1.329 119.242 120.570 0.003 0.000 3.191 400 I HA 0.759 4.928 4.170 -0.000 0.000 0.313 400 I C -0.832 175.288 176.117 0.005 0.000 1.193 400 I CA -1.125 60.177 61.300 0.003 0.000 0.968 400 I CB 2.266 40.269 38.000 0.004 0.000 1.262 400 I HN 0.506 nan 8.210 nan 0.000 0.456 401 V N 0.183 120.100 119.914 0.006 0.000 3.105 401 V HA 0.760 4.880 4.120 -0.000 0.000 0.311 401 V C -0.324 175.777 176.094 0.011 0.000 1.287 401 V CA -0.231 62.074 62.300 0.009 0.000 1.066 401 V CB 1.387 33.214 31.823 0.007 0.000 1.105 401 V HN 1.017 nan 8.190 nan 0.000 0.462 402 S N 0.499 116.209 115.700 0.016 0.000 2.429 402 S HA 0.774 5.244 4.470 -0.000 0.000 0.302 402 S C 0.426 175.034 174.600 0.014 0.000 1.115 402 S CA 0.057 58.268 58.200 0.019 0.000 1.095 402 S CB 0.591 63.809 63.200 0.030 0.000 0.987 402 S HN 1.759 nan 8.310 nan 0.000 0.474 403 G N 1.551 110.355 108.800 0.007 0.000 2.481 403 G HA2 0.463 4.423 3.960 -0.000 0.000 0.251 403 G HA3 0.463 4.423 3.960 -0.000 0.000 0.251 403 G C 1.081 175.977 174.900 -0.007 0.000 1.492 403 G CA -0.371 44.728 45.100 -0.002 0.000 1.060 403 G HN 2.074 nan 8.290 nan 0.000 0.553 404 G N -2.492 106.294 108.800 -0.023 0.000 2.162 404 G HA2 0.225 4.185 3.960 -0.000 0.000 0.260 404 G HA3 0.225 4.185 3.960 -0.000 0.000 0.260 404 G C 1.523 176.404 174.900 -0.033 0.000 0.976 404 G CA 1.117 46.194 45.100 -0.037 0.000 0.655 404 G HN 2.520 nan 8.290 nan 0.000 0.533 405 G N -1.263 107.520 108.800 -0.029 0.000 2.143 405 G HA2 -0.090 3.869 3.960 -0.000 0.000 0.249 405 G HA3 -0.090 3.869 3.960 -0.000 0.000 0.249 405 G C 1.322 176.204 174.900 -0.029 0.000 0.981 405 G CA 1.645 46.724 45.100 -0.034 0.000 0.665 405 G HN 1.771 nan 8.290 nan 0.000 0.528 406 S N 0.044 115.744 115.700 -0.001 0.000 2.349 406 S HA -0.110 4.360 4.470 -0.000 0.000 0.216 406 S C 2.664 177.253 174.600 -0.019 0.000 1.033 406 S CA 2.787 61.011 58.200 0.040 0.000 1.021 406 S CB -0.518 62.728 63.200 0.077 0.000 0.968 406 S HN 1.385 nan 8.310 nan 0.000 0.426 407 T N -0.966 113.585 114.554 -0.005 0.000 3.228 407 T HA 0.162 4.511 4.350 -0.000 0.000 0.261 407 T C 1.055 175.721 174.700 -0.056 0.000 1.171 407 T CA 0.844 62.931 62.100 -0.022 0.000 1.056 407 T CB -0.239 68.629 68.868 -0.000 0.000 0.938 407 T HN 0.346 nan 8.240 nan 0.000 0.539 408 E N 0.354 120.508 120.200 -0.076 0.000 2.166 408 E HA 0.155 4.505 4.350 -0.000 0.000 0.192 408 E C 2.126 178.655 176.600 -0.119 0.000 0.967 408 E CA 0.199 56.552 56.400 -0.078 0.000 0.840 408 E CB -0.019 29.641 29.700 -0.068 0.000 0.795 408 E HN 0.330 nan 8.360 nan 0.000 0.470 409 V N 0.962 120.760 119.914 -0.194 0.000 2.379 409 V HA -0.190 3.929 4.120 -0.000 0.000 0.245 409 V C 2.216 178.076 176.094 -0.391 0.000 1.044 409 V CA 1.769 63.899 62.300 -0.282 0.000 1.036 409 V CB -0.261 31.349 31.823 -0.356 0.000 0.664 409 V HN 0.215 nan 8.190 nan 0.000 0.453 410 E N 0.842 120.735 120.200 -0.511 0.000 2.005 410 E HA -0.261 4.089 4.350 -0.000 0.000 0.198 410 E C 1.986 178.520 176.600 -0.109 0.000 1.010 410 E CA 1.718 57.952 56.400 -0.275 0.000 0.825 410 E CB -0.688 28.962 29.700 -0.084 0.000 0.769 410 E HN 0.286 nan 8.360 nan 0.000 0.456 411 L N 0.705 121.882 121.223 -0.076 0.000 2.357 411 L HA -0.162 4.177 4.340 -0.000 0.000 0.220 411 L C 2.198 179.059 176.870 -0.015 0.000 1.123 411 L CA 2.333 57.153 54.840 -0.033 0.000 0.782 411 L CB -0.913 41.134 42.059 -0.020 0.000 0.910 411 L HN 0.384 nan 8.230 nan 0.000 0.442 412 S N -1.200 114.480 115.700 -0.034 0.000 2.441 412 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 412 S C 1.963 176.568 174.600 0.009 0.000 1.043 412 S CA 0.584 58.783 58.200 -0.001 0.000 0.948 412 S CB -0.311 62.874 63.200 -0.024 0.000 0.810 412 S HN 0.593 nan 8.310 nan 0.000 0.504 413 M N 0.632 120.222 119.600 -0.016 0.000 2.193 413 M HA 0.264 4.744 4.480 -0.000 0.000 0.265 413 M C 1.953 178.273 176.300 0.032 0.000 1.071 413 M CA 1.041 56.347 55.300 0.010 0.000 1.140 413 M CB -0.429 32.175 32.600 0.008 0.000 1.369 413 M HN -0.071 nan 8.290 nan 0.000 0.423 414 K N 1.586 122.001 120.400 0.025 0.000 2.032 414 K HA -0.024 4.296 4.320 -0.000 0.000 0.209 414 K C 2.146 178.785 176.600 0.064 0.000 1.048 414 K CA 1.460 57.771 56.287 0.040 0.000 0.927 414 K CB -0.980 31.533 32.500 0.021 0.000 0.712 414 K HN 0.501 nan 8.250 nan 0.000 0.441 415 L N 0.421 121.672 121.223 0.047 0.000 2.187 415 L HA -0.158 4.181 4.340 -0.000 0.000 0.213 415 L C 2.733 179.687 176.870 0.140 0.000 1.100 415 L CA 1.011 55.895 54.840 0.073 0.000 0.765 415 L CB -0.230 41.860 42.059 0.052 0.000 0.904 415 L HN 0.217 nan 8.230 nan 0.000 0.437 416 R N 0.167 120.727 120.500 0.100 0.000 2.093 416 R HA -0.146 4.194 4.340 -0.000 0.000 0.224 416 R C 2.246 178.595 176.300 0.083 0.000 1.101 416 R CA 1.288 57.443 56.100 0.090 0.000 0.979 416 R CB 0.105 30.442 30.300 0.061 0.000 0.877 416 R HN 0.557 nan 8.270 nan 0.000 0.441 417 E N -0.820 119.429 120.200 0.083 0.000 2.072 417 E HA -0.250 4.099 4.350 -0.000 0.000 0.190 417 E C 1.767 178.411 176.600 0.075 0.000 0.982 417 E CA 0.907 57.346 56.400 0.064 0.000 0.803 417 E CB -0.809 28.924 29.700 0.055 0.000 0.755 417 E HN 0.444 nan 8.360 nan 0.000 0.453 418 Y N 1.917 122.217 120.300 0.000 0.000 2.365 418 Y HA -0.198 4.352 4.550 -0.000 0.000 0.287 418 Y C 2.246 178.143 175.900 -0.005 0.000 1.162 418 Y CA 1.369 59.465 58.100 -0.007 0.000 1.260 418 Y CB -0.212 38.236 38.460 -0.019 0.000 0.976 418 Y HN 0.185 nan 8.280 nan 0.000 0.548 419 A N 0.170 123.016 122.820 0.044 0.000 2.016 419 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 419 A C 2.019 179.554 177.584 -0.082 0.000 1.162 419 A CA 1.378 53.412 52.037 -0.004 0.000 0.662 419 A CB -0.424 18.627 19.000 0.085 0.000 0.812 419 A HN 0.660 nan 8.150 nan 0.000 0.450 420 E N -0.305 119.852 120.200 -0.070 0.000 2.158 420 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 420 E C 1.654 178.190 176.600 -0.106 0.000 0.982 420 E CA 0.552 56.914 56.400 -0.064 0.000 0.823 420 E CB -0.315 29.365 29.700 -0.034 0.000 0.766 420 E HN 0.538 nan 8.360 nan 0.000 0.468 421 G N 1.758 110.456 108.800 -0.169 0.000 3.262 421 G HA2 0.057 4.017 3.960 -0.000 0.000 0.222 421 G HA3 0.057 4.017 3.960 -0.000 0.000 0.222 421 G C 0.346 175.103 174.900 -0.238 0.000 1.269 421 G CA 0.008 44.992 45.100 -0.193 0.000 1.032 421 G HN 0.059 nan 8.290 nan 0.000 0.502 422 I N 1.542 121.994 120.570 -0.197 0.000 2.410 422 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 422 I C -0.136 175.931 176.117 -0.084 0.000 1.009 422 I CA -0.713 60.493 61.300 -0.157 0.000 1.111 422 I CB 1.990 39.895 38.000 -0.157 0.000 1.262 422 I HN 0.052 nan 8.210 nan 0.000 0.443 423 S N 4.320 119.981 115.700 -0.065 0.000 2.525 423 S HA 0.903 5.372 4.470 -0.000 0.000 0.278 423 S C 0.233 174.815 174.600 -0.030 0.000 1.234 423 S CA -0.169 58.007 58.200 -0.041 0.000 1.058 423 S CB 1.813 64.992 63.200 -0.036 0.000 0.983 423 S HN 1.220 nan 8.310 nan 0.000 0.495 424 G N 2.085 110.873 108.800 -0.021 0.000 2.525 424 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.685 424 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.685 424 G C 0.050 174.946 174.900 -0.007 0.000 1.290 424 G CA -0.425 44.667 45.100 -0.014 0.000 0.915 424 G HN 0.670 nan 8.290 nan 0.000 0.548 425 R N 0.624 121.123 120.500 -0.003 0.000 2.081 425 R HA -0.030 4.310 4.340 -0.000 0.000 0.235 425 R C 2.603 178.907 176.300 0.007 0.000 1.131 425 R CA 2.122 58.224 56.100 0.003 0.000 0.960 425 R CB -0.372 29.931 30.300 0.005 0.000 0.856 425 R HN 0.826 nan 8.270 nan 0.000 0.436 426 E N 0.660 120.863 120.200 0.006 0.000 2.394 426 E HA -0.329 4.021 4.350 -0.000 0.000 0.202 426 E C 1.757 178.377 176.600 0.033 0.000 1.029 426 E CA 1.221 57.631 56.400 0.016 0.000 0.855 426 E CB -0.241 29.468 29.700 0.016 0.000 0.770 426 E HN 0.452 nan 8.360 nan 0.000 0.527 427 Q N 0.973 120.785 119.800 0.020 0.000 2.046 427 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 427 Q C 2.298 178.330 176.000 0.053 0.000 0.975 427 Q CA 1.371 57.189 55.803 0.025 0.000 0.836 427 Q CB -0.055 28.684 28.738 0.002 0.000 0.896 427 Q HN 0.473 nan 8.270 nan 0.000 0.428 428 L N 0.458 121.706 121.223 0.043 0.000 2.043 428 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 428 L C 2.646 179.569 176.870 0.089 0.000 1.075 428 L CA 1.208 56.080 54.840 0.054 0.000 0.752 428 L CB -0.851 41.227 42.059 0.032 0.000 0.891 428 L HN 0.273 nan 8.230 nan 0.000 0.432 429 A N 0.005 122.872 122.820 0.079 0.000 1.859 429 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 429 A C 2.356 180.125 177.584 0.310 0.000 1.198 429 A CA 2.356 54.468 52.037 0.126 0.000 0.629 429 A CB -1.100 17.922 19.000 0.037 0.000 0.830 429 A HN 0.193 nan 8.150 nan 0.000 0.446 430 V N -0.001 120.054 119.914 0.234 0.000 2.392 430 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 430 V C 2.675 178.912 176.094 0.238 0.000 1.059 430 V CA 2.306 64.752 62.300 0.244 0.000 1.051 430 V CB -0.862 31.078 31.823 0.195 0.000 0.658 430 V HN 0.522 nan 8.190 nan 0.000 0.455 431 R N 0.044 120.652 120.500 0.180 0.000 2.075 431 R HA -0.057 4.282 4.340 -0.000 0.000 0.232 431 R C 2.480 178.878 176.300 0.163 0.000 1.126 431 R CA 1.353 57.540 56.100 0.145 0.000 0.963 431 R CB -0.613 29.745 30.300 0.096 0.000 0.858 431 R HN 0.516 nan 8.270 nan 0.000 0.435 432 A N 0.857 123.795 122.820 0.196 0.000 1.940 432 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 432 A C 1.968 179.676 177.584 0.206 0.000 1.176 432 A CA 1.210 53.370 52.037 0.205 0.000 0.631 432 A CB -0.656 18.497 19.000 0.255 0.000 0.814 432 A HN 0.394 nan 8.150 nan 0.000 0.446 433 F N 0.402 120.429 119.950 0.127 0.000 2.234 433 F HA 0.029 4.555 4.527 -0.000 0.000 0.299 433 F C 2.454 178.215 175.800 -0.064 0.000 1.087 433 F CA 1.045 58.992 58.000 -0.088 0.000 1.340 433 F CB -0.039 38.897 39.000 -0.108 0.000 1.031 433 F HN 0.266 nan 8.300 nan 0.000 0.500 434 A N -0.069 122.935 122.820 0.306 0.000 1.897 434 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 434 A C 1.831 179.455 177.584 0.065 0.000 1.181 434 A CA 1.839 53.990 52.037 0.191 0.000 0.620 434 A CB -0.847 18.243 19.000 0.149 0.000 0.821 434 A HN 0.368 nan 8.150 nan 0.000 0.443 435 D N 0.217 120.645 120.400 0.047 0.000 2.178 435 D HA -0.005 4.635 4.640 -0.000 0.000 0.202 435 D C 2.174 178.447 176.300 -0.045 0.000 0.974 435 D CA 1.271 55.274 54.000 0.006 0.000 0.841 435 D CB -0.390 40.423 40.800 0.021 0.000 0.953 435 D HN 0.410 nan 8.370 nan 0.000 0.478 436 A N 0.912 123.674 122.820 -0.096 0.000 1.892 436 A HA -0.165 4.154 4.320 -0.000 0.000 0.218 436 A C 2.255 179.732 177.584 -0.178 0.000 1.188 436 A CA 1.060 52.987 52.037 -0.184 0.000 0.631 436 A CB -0.887 17.888 19.000 -0.376 0.000 0.822 436 A HN 0.266 nan 8.150 nan 0.000 0.447 437 L N -0.668 120.453 121.223 -0.172 0.000 2.353 437 L HA -0.130 4.210 4.340 -0.000 0.000 0.220 437 L C 1.913 178.729 176.870 -0.091 0.000 1.133 437 L CA 0.930 55.691 54.840 -0.132 0.000 0.798 437 L CB -0.582 41.431 42.059 -0.077 0.000 0.922 437 L HN 0.473 nan 8.230 nan 0.000 0.445 438 E N -0.359 119.796 120.200 -0.076 0.000 2.512 438 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 438 E C 1.930 178.494 176.600 -0.060 0.000 1.083 438 E CA -0.020 56.343 56.400 -0.061 0.000 0.873 438 E CB 0.298 29.971 29.700 -0.046 0.000 0.897 438 E HN 0.243 nan 8.360 nan 0.000 0.514 439 V N 0.749 120.620 119.914 -0.072 0.000 2.871 439 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 439 V C 1.636 177.694 176.094 -0.060 0.000 1.082 439 V CA 0.791 63.052 62.300 -0.066 0.000 1.105 439 V CB -0.065 31.712 31.823 -0.078 0.000 0.713 439 V HN 0.277 nan 8.190 nan 0.000 0.473 440 I N 0.955 121.487 120.570 -0.064 0.000 2.277 440 I HA -0.007 4.163 4.170 -0.000 0.000 0.243 440 I C 0.032 176.119 176.117 -0.051 0.000 1.094 440 I CA 1.279 62.545 61.300 -0.057 0.000 1.393 440 I CB -2.677 35.289 38.000 -0.057 0.000 1.078 440 I HN 0.336 nan 8.210 nan 0.000 0.417 441 P HA -0.120 nan 4.420 nan 0.000 0.217 441 P C 1.868 179.143 177.300 -0.042 0.000 1.150 441 P CA 1.416 64.489 63.100 -0.045 0.000 0.832 441 P CB -0.051 31.622 31.700 -0.044 0.000 0.787 442 R N -0.253 120.223 120.500 -0.041 0.000 2.070 442 R HA -0.121 4.218 4.340 -0.000 0.000 0.233 442 R C 2.345 178.623 176.300 -0.036 0.000 1.137 442 R CA 2.479 58.558 56.100 -0.036 0.000 0.945 442 R CB -1.182 29.097 30.300 -0.034 0.000 0.845 442 R HN 0.225 nan 8.270 nan 0.000 0.430 443 T N -1.131 113.400 114.554 -0.039 0.000 2.951 443 T HA -0.033 4.317 4.350 -0.000 0.000 0.268 443 T C 1.919 176.595 174.700 -0.040 0.000 1.073 443 T CA 0.945 63.023 62.100 -0.037 0.000 1.134 443 T CB -0.215 68.631 68.868 -0.037 0.000 0.884 443 T HN 0.205 nan 8.240 nan 0.000 0.479 444 L N 0.833 122.029 121.223 -0.046 0.000 2.083 444 L HA 0.030 4.370 4.340 -0.000 0.000 0.209 444 L C 3.360 180.195 176.870 -0.059 0.000 1.083 444 L CA 1.267 56.073 54.840 -0.056 0.000 0.752 444 L CB -0.831 41.188 42.059 -0.066 0.000 0.899 444 L HN 0.408 nan 8.230 nan 0.000 0.433 445 A N -0.075 122.716 122.820 -0.049 0.000 1.877 445 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 445 A C 2.161 179.725 177.584 -0.033 0.000 1.186 445 A CA 1.657 53.669 52.037 -0.042 0.000 0.620 445 A CB -0.479 18.501 19.000 -0.033 0.000 0.822 445 A HN 0.408 nan 8.150 nan 0.000 0.443 446 E N -0.013 120.169 120.200 -0.029 0.000 2.033 446 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 446 E C 1.862 178.450 176.600 -0.020 0.000 1.011 446 E CA 1.546 57.932 56.400 -0.022 0.000 0.815 446 E CB -0.239 29.448 29.700 -0.022 0.000 0.755 446 E HN 0.593 nan 8.360 nan 0.000 0.451 447 N N 0.440 119.126 118.700 -0.023 0.000 2.223 447 N HA -0.147 4.592 4.740 -0.000 0.000 0.185 447 N C 1.513 177.015 175.510 -0.014 0.000 1.016 447 N CA 1.217 54.257 53.050 -0.017 0.000 0.863 447 N CB -0.396 38.080 38.487 -0.019 0.000 0.983 447 N HN 0.155 nan 8.380 nan 0.000 0.429 448 A N -0.210 122.595 122.820 -0.025 0.000 2.067 448 A HA 0.268 4.588 4.320 -0.000 0.000 0.219 448 A C 1.792 179.373 177.584 -0.004 0.000 1.158 448 A CA 1.642 53.667 52.037 -0.020 0.000 0.661 448 A CB -0.424 18.546 19.000 -0.050 0.000 0.801 448 A HN 0.402 nan 8.150 nan 0.000 0.452 449 G N -2.523 106.272 108.800 -0.008 0.000 2.218 449 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 449 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 449 G C 0.112 175.009 174.900 -0.005 0.000 0.994 449 G CA 0.078 45.176 45.100 -0.003 0.000 0.637 449 G HN 0.400 nan 8.290 nan 0.000 0.505 450 L N 1.202 122.420 121.223 -0.010 0.000 2.476 450 L HA 0.510 4.850 4.340 -0.000 0.000 0.255 450 L C 0.777 177.641 176.870 -0.010 0.000 1.218 450 L CA -0.059 54.775 54.840 -0.009 0.000 0.819 450 L CB 0.346 42.396 42.059 -0.014 0.000 1.119 450 L HN 0.178 nan 8.230 nan 0.000 0.485 451 D N 0.140 120.535 120.400 -0.008 0.000 2.374 451 D HA 0.278 4.918 4.640 -0.000 0.000 0.240 451 D C 0.852 177.147 176.300 -0.010 0.000 1.229 451 D CA 0.259 54.255 54.000 -0.007 0.000 0.895 451 D CB 1.192 41.989 40.800 -0.004 0.000 1.046 451 D HN 0.579 nan 8.370 nan 0.000 0.498 452 A N 4.737 127.549 122.820 -0.012 0.000 1.917 452 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 452 A C 2.187 179.764 177.584 -0.012 0.000 1.182 452 A CA 1.282 53.310 52.037 -0.015 0.000 0.633 452 A CB -0.566 18.424 19.000 -0.017 0.000 0.819 452 A HN 0.764 nan 8.150 nan 0.000 0.448 453 I N -1.109 119.456 120.570 -0.009 0.000 2.252 453 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 453 I C 2.540 178.655 176.117 -0.004 0.000 1.102 453 I CA 1.775 63.071 61.300 -0.006 0.000 1.385 453 I CB -0.547 37.450 38.000 -0.005 0.000 1.064 453 I HN 0.454 nan 8.210 nan 0.000 0.414 454 E N 2.160 122.359 120.200 -0.003 0.000 2.007 454 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 454 E C 2.216 178.817 176.600 0.001 0.000 0.999 454 E CA 1.516 57.916 56.400 0.000 0.000 0.811 454 E CB -0.262 29.438 29.700 -0.000 0.000 0.762 454 E HN 0.312 nan 8.360 nan 0.000 0.450 455 I N 0.392 120.961 120.570 -0.002 0.000 2.229 455 I HA -0.292 3.878 4.170 -0.000 0.000 0.250 455 I C 2.317 178.435 176.117 0.002 0.000 1.096 455 I CA 0.933 62.232 61.300 -0.002 0.000 1.358 455 I CB -0.432 37.563 38.000 -0.009 0.000 1.047 455 I HN 0.274 nan 8.210 nan 0.000 0.422 456 L N 0.263 121.484 121.223 -0.002 0.000 2.141 456 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 456 L C 2.333 179.208 176.870 0.008 0.000 1.094 456 L CA 1.499 56.338 54.840 -0.002 0.000 0.763 456 L CB -0.369 41.685 42.059 -0.009 0.000 0.908 456 L HN -0.019 nan 8.230 nan 0.000 0.437 457 V N -0.934 118.985 119.914 0.009 0.000 2.379 457 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 457 V C 2.466 178.573 176.094 0.022 0.000 1.044 457 V CA 1.498 63.806 62.300 0.014 0.000 1.036 457 V CB -0.703 31.126 31.823 0.010 0.000 0.664 457 V HN 0.393 nan 8.190 nan 0.000 0.453 458 K N 0.343 120.755 120.400 0.019 0.000 2.009 458 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 458 K C 2.073 178.698 176.600 0.041 0.000 1.049 458 K CA 1.641 57.942 56.287 0.023 0.000 0.929 458 K CB -0.577 31.932 32.500 0.015 0.000 0.714 458 K HN 0.369 nan 8.250 nan 0.000 0.440 459 V N 1.231 121.175 119.914 0.050 0.000 2.867 459 V HA -0.177 3.943 4.120 -0.000 0.000 0.260 459 V C 2.191 178.382 176.094 0.162 0.000 1.099 459 V CA 1.422 63.782 62.300 0.101 0.000 1.122 459 V CB -0.566 31.303 31.823 0.076 0.000 0.708 459 V HN 0.277 nan 8.190 nan 0.000 0.490 460 R N -0.484 120.070 120.500 0.089 0.000 2.210 460 R HA 0.133 4.473 4.340 -0.000 0.000 0.203 460 R C 2.257 178.614 176.300 0.094 0.000 1.010 460 R CA 0.918 57.068 56.100 0.082 0.000 1.008 460 R CB -0.111 30.209 30.300 0.033 0.000 0.923 460 R HN 0.503 nan 8.270 nan 0.000 0.469 461 A N 0.525 123.386 122.820 0.069 0.000 1.898 461 A HA 0.042 4.362 4.320 -0.000 0.000 0.214 461 A C 2.034 179.644 177.584 0.044 0.000 1.183 461 A CA 1.211 53.277 52.037 0.049 0.000 0.622 461 A CB -0.352 18.665 19.000 0.028 0.000 0.824 461 A HN 0.346 nan 8.150 nan 0.000 0.444 462 A N -1.641 121.202 122.820 0.038 0.000 2.264 462 A HA -0.034 4.285 4.320 -0.000 0.000 0.207 462 A C 1.287 178.784 177.584 -0.145 0.000 1.196 462 A CA 0.762 52.774 52.037 -0.042 0.000 0.778 462 A CB -0.707 18.256 19.000 -0.062 0.000 0.779 462 A HN 0.643 nan 8.150 nan 0.000 0.483 463 H N -1.333 117.739 119.070 0.003 0.000 2.662 463 H HA 0.322 4.878 4.556 -0.000 0.000 0.268 463 H C 0.745 176.077 175.328 0.007 0.000 1.152 463 H CA 0.438 56.489 56.048 0.004 0.000 1.072 463 H CB 0.453 30.218 29.762 0.005 0.000 1.660 463 H HN 0.431 nan 8.280 nan 0.000 0.584 464 A N 1.677 124.543 122.820 0.077 0.000 3.052 464 A HA 0.198 4.518 4.320 -0.000 0.000 0.266 464 A C 1.406 179.013 177.584 0.038 0.000 1.855 464 A CA 0.625 52.695 52.037 0.055 0.000 1.473 464 A CB -0.746 18.276 19.000 0.036 0.000 1.038 464 A HN 0.551 nan 8.150 nan 0.000 0.619 465 S N 0.167 115.897 115.700 0.049 0.000 2.378 465 S HA -0.348 4.122 4.470 -0.000 0.000 0.240 465 S C 0.972 175.584 174.600 0.020 0.000 1.229 465 S CA 1.547 59.768 58.200 0.035 0.000 1.607 465 S CB -2.366 60.851 63.200 0.028 0.000 2.074 465 S HN 0.980 nan 8.310 nan 0.000 0.620 466 N N 3.398 122.104 118.700 0.009 0.000 2.185 466 N HA 0.420 5.160 4.740 -0.000 0.000 0.243 466 N C 1.289 176.787 175.510 -0.020 0.000 1.276 466 N CA 0.399 53.445 53.050 -0.006 0.000 0.941 466 N CB -1.152 37.327 38.487 -0.013 0.000 1.129 466 N HN 0.752 nan 8.380 nan 0.000 0.417 467 G N -0.864 107.909 108.800 -0.047 0.000 2.588 467 G HA2 0.093 4.053 3.960 -0.000 0.000 0.278 467 G HA3 0.093 4.053 3.960 -0.000 0.000 0.278 467 G C 0.374 175.169 174.900 -0.175 0.000 1.307 467 G CA -0.241 44.808 45.100 -0.086 0.000 1.016 467 G HN 0.457 nan 8.290 nan 0.000 0.503 468 N N -0.783 117.706 118.700 -0.352 0.000 2.407 468 N HA -0.002 4.738 4.740 -0.000 0.000 0.182 468 N C 1.518 176.945 175.510 -0.138 0.000 1.079 468 N CA 0.806 53.719 53.050 -0.229 0.000 0.882 468 N CB 0.119 38.470 38.487 -0.226 0.000 1.106 468 N HN 0.797 nan 8.380 nan 0.000 0.461 469 K N -1.786 118.533 120.400 -0.135 0.000 3.572 469 K HA -0.216 4.103 4.320 -0.000 0.000 0.306 469 K C -0.009 176.696 176.600 0.175 0.000 1.286 469 K CA 1.650 58.046 56.287 0.181 0.000 1.010 469 K CB -2.008 30.552 32.500 0.100 0.000 1.268 469 K HN 0.211 nan 8.250 nan 0.000 0.438 470 c N 0.938 119.566 118.600 0.046 0.000 3.512 470 c HA 0.586 5.156 4.570 -0.000 0.000 0.276 470 c C 0.634 174.733 174.090 0.015 0.000 1.592 470 c CA -0.040 56.312 56.329 0.039 0.000 1.803 470 c CB 0.362 42.876 42.510 0.006 0.000 2.996 470 c HN 0.579 nan 8.230 nan 0.000 0.590 471 A N 0.969 123.765 122.820 -0.039 0.000 2.343 471 A HA 0.664 4.984 4.320 -0.000 0.000 0.305 471 A C 0.444 178.108 177.584 0.133 0.000 1.308 471 A CA 0.360 52.370 52.037 -0.045 0.000 0.949 471 A CB -0.145 18.691 19.000 -0.275 0.000 1.148 471 A HN 0.580 nan 8.150 nan 0.000 0.545 472 G N 0.792 109.632 108.800 0.068 0.000 2.680 472 G HA2 0.542 4.501 3.960 -0.000 0.000 0.290 472 G HA3 0.542 4.501 3.960 -0.000 0.000 0.290 472 G C -1.134 173.775 174.900 0.014 0.000 1.355 472 G CA -0.748 44.387 45.100 0.058 0.000 0.903 472 G HN 0.971 nan 8.290 nan 0.000 0.474 473 L N 1.066 122.285 121.223 -0.007 0.000 2.315 473 L HA 0.433 4.773 4.340 -0.000 0.000 0.283 473 L C -0.109 176.719 176.870 -0.070 0.000 1.089 473 L CA -0.941 53.880 54.840 -0.032 0.000 0.833 473 L CB 0.613 42.648 42.059 -0.040 0.000 1.170 473 L HN 0.404 nan 8.230 nan 0.000 0.442 474 N N 3.779 122.438 118.700 -0.068 0.000 2.408 474 N HA 0.074 4.814 4.740 -0.000 0.000 0.257 474 N C 0.980 176.384 175.510 -0.176 0.000 1.064 474 N CA 0.091 53.069 53.050 -0.120 0.000 0.952 474 N CB 1.529 39.994 38.487 -0.036 0.000 1.093 474 N HN 0.668 nan 8.380 nan 0.000 0.490 475 V N 2.085 121.783 119.914 -0.361 0.000 3.305 475 V HA 0.007 4.126 4.120 -0.000 0.000 0.269 475 V C 1.090 177.022 176.094 -0.270 0.000 1.157 475 V CA 1.035 63.132 62.300 -0.338 0.000 1.157 475 V CB -0.967 30.615 31.823 -0.402 0.000 0.772 475 V HN 0.339 nan 8.190 nan 0.000 0.498 476 F N 1.362 121.313 119.950 0.002 0.000 2.208 476 F HA 0.161 4.688 4.527 -0.000 0.000 0.282 476 F C 2.679 178.480 175.800 0.002 0.000 1.071 476 F CA 1.132 59.133 58.000 0.001 0.000 1.228 476 F CB -1.745 37.255 39.000 0.001 0.000 1.088 476 F HN 0.011 nan 8.300 nan 0.000 0.512 477 T N -0.197 114.467 114.554 0.183 0.000 2.564 477 T HA -0.120 4.230 4.350 -0.000 0.000 0.264 477 T C 2.046 176.780 174.700 0.056 0.000 1.100 477 T CA 2.585 64.741 62.100 0.093 0.000 1.171 477 T CB -1.220 67.682 68.868 0.057 0.000 0.863 477 T HN 0.629 nan 8.240 nan 0.000 0.430 478 G N 0.948 109.762 108.800 0.024 0.000 2.254 478 G HA2 0.045 4.005 3.960 -0.000 0.000 0.225 478 G HA3 0.045 4.005 3.960 -0.000 0.000 0.225 478 G C 0.126 175.027 174.900 0.001 0.000 1.003 478 G CA 0.119 45.224 45.100 0.009 0.000 0.622 478 G HN 1.076 nan 8.290 nan 0.000 0.507 479 A N -0.376 122.448 122.820 0.006 0.000 2.322 479 A HA 0.877 5.197 4.320 -0.000 0.000 0.327 479 A C 0.306 177.890 177.584 -0.000 0.000 1.134 479 A CA 0.215 52.254 52.037 0.003 0.000 0.831 479 A CB 1.837 20.842 19.000 0.008 0.000 1.288 479 A HN 1.689 nan 8.150 nan 0.000 0.472 480 V N 1.027 120.941 119.914 0.001 0.000 2.521 480 V HA 0.361 4.481 4.120 -0.000 0.000 0.286 480 V C -0.019 176.075 176.094 0.000 0.000 1.034 480 V CA 0.554 62.855 62.300 0.002 0.000 1.045 480 V CB 0.016 31.845 31.823 0.009 0.000 0.974 480 V HN 0.945 nan 8.190 nan 0.000 0.480 481 E N 3.948 124.148 120.200 0.000 0.000 2.449 481 E HA 0.384 4.734 4.350 -0.000 0.000 0.254 481 E C -1.275 175.322 176.600 -0.004 0.000 0.907 481 E CA -0.935 55.465 56.400 0.000 0.000 0.840 481 E CB 1.249 30.955 29.700 0.009 0.000 1.459 481 E HN 0.716 nan 8.360 nan 0.000 0.407 482 D N 1.367 121.765 120.400 -0.004 0.000 2.428 482 D HA 0.106 4.746 4.640 -0.000 0.000 0.221 482 D C 0.717 177.020 176.300 0.004 0.000 1.123 482 D CA -0.124 53.872 54.000 -0.007 0.000 0.869 482 D CB 0.794 41.586 40.800 -0.012 0.000 1.032 482 D HN 0.332 nan 8.370 nan 0.000 0.506 483 M N 1.972 121.577 119.600 0.009 0.000 2.229 483 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 483 M C 2.232 178.541 176.300 0.015 0.000 1.063 483 M CA 0.614 55.922 55.300 0.014 0.000 1.114 483 M CB -0.813 31.797 32.600 0.016 0.000 1.387 483 M HN 0.508 nan 8.290 nan 0.000 0.420 484 c N 0.579 119.187 118.600 0.012 0.000 2.422 484 c HA -0.139 4.431 4.570 -0.000 0.000 0.279 484 c C 2.536 176.633 174.090 0.011 0.000 1.305 484 c CA 0.914 57.249 56.329 0.011 0.000 1.757 484 c CB -0.934 41.581 42.510 0.009 0.000 1.962 484 c HN 0.565 nan 8.230 nan 0.000 0.499 485 E N 0.419 120.625 120.200 0.010 0.000 2.250 485 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 485 E C 1.242 177.852 176.600 0.016 0.000 0.986 485 E CA 0.488 56.894 56.400 0.010 0.000 0.849 485 E CB -0.088 29.616 29.700 0.007 0.000 0.797 485 E HN 0.581 nan 8.360 nan 0.000 0.482 486 N N 0.110 118.823 118.700 0.021 0.000 2.521 486 N HA 0.020 4.760 4.740 -0.000 0.000 0.188 486 N C 0.585 176.116 175.510 0.035 0.000 1.146 486 N CA 0.873 53.942 53.050 0.032 0.000 0.893 486 N CB 0.737 39.248 38.487 0.040 0.000 0.975 486 N HN 0.220 nan 8.380 nan 0.000 0.451 487 G N -0.353 108.463 108.800 0.026 0.000 2.198 487 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 487 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 487 G C -0.379 174.537 174.900 0.028 0.000 1.042 487 G CA 0.070 45.185 45.100 0.025 0.000 0.791 487 G HN 0.190 nan 8.290 nan 0.000 0.502 488 V N 1.123 121.052 119.914 0.025 0.000 2.270 488 V HA 0.584 4.704 4.120 -0.000 0.000 0.263 488 V C 0.640 176.743 176.094 0.015 0.000 1.066 488 V CA -0.079 62.234 62.300 0.022 0.000 0.857 488 V CB 0.985 32.817 31.823 0.016 0.000 1.099 488 V HN 1.040 nan 8.190 nan 0.000 0.476 489 V N 1.847 121.769 119.914 0.014 0.000 2.962 489 V HA 0.835 4.955 4.120 -0.000 0.000 0.313 489 V C -0.827 175.271 176.094 0.008 0.000 1.099 489 V CA -0.848 61.459 62.300 0.010 0.000 0.971 489 V CB 2.515 34.345 31.823 0.011 0.000 1.028 489 V HN 0.700 nan 8.190 nan 0.000 0.430 490 E N 2.434 122.637 120.200 0.005 0.000 2.308 490 E HA 0.525 4.874 4.350 -0.000 0.000 0.275 490 E C -2.995 173.606 176.600 0.001 0.000 0.890 490 E CA -1.963 54.438 56.400 0.002 0.000 0.754 490 E CB 2.872 32.572 29.700 -0.001 0.000 1.207 490 E HN 0.589 nan 8.360 nan 0.000 0.426 491 P HA -0.126 nan 4.420 nan 0.000 0.269 491 P C 0.354 177.653 177.300 -0.001 0.000 1.205 491 P CA -0.086 63.014 63.100 -0.000 0.000 0.780 491 P CB 0.576 32.276 31.700 -0.001 0.000 0.858 492 L N 2.876 124.098 121.223 -0.001 0.000 2.156 492 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 492 L C 2.282 179.150 176.870 -0.004 0.000 1.095 492 L CA 1.636 56.475 54.840 -0.003 0.000 0.770 492 L CB -0.740 41.318 42.059 -0.003 0.000 0.914 492 L HN 0.251 nan 8.230 nan 0.000 0.439 493 R N -1.090 119.408 120.500 -0.004 0.000 2.200 493 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 493 R C 2.008 178.305 176.300 -0.005 0.000 1.127 493 R CA 1.443 57.541 56.100 -0.004 0.000 0.989 493 R CB -0.200 30.098 30.300 -0.003 0.000 0.869 493 R HN 0.360 nan 8.270 nan 0.000 0.459 494 V N 0.994 120.905 119.914 -0.005 0.000 2.358 494 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 494 V C 2.079 178.168 176.094 -0.009 0.000 1.047 494 V CA 1.721 64.016 62.300 -0.007 0.000 1.035 494 V CB -0.222 31.597 31.823 -0.007 0.000 0.658 494 V HN 0.289 nan 8.190 nan 0.000 0.452 495 K N 0.048 120.443 120.400 -0.008 0.000 2.262 495 K HA 0.008 4.328 4.320 -0.000 0.000 0.200 495 K C 2.214 178.811 176.600 -0.004 0.000 1.049 495 K CA 1.392 57.674 56.287 -0.009 0.000 0.979 495 K CB -0.350 32.145 32.500 -0.009 0.000 0.773 495 K HN 0.701 nan 8.250 nan 0.000 0.474 496 T N -0.449 114.102 114.554 -0.004 0.000 2.735 496 T HA -0.170 4.180 4.350 -0.000 0.000 0.256 496 T C 2.169 176.869 174.700 -0.000 0.000 1.042 496 T CA 1.016 63.115 62.100 -0.002 0.000 1.147 496 T CB -0.264 68.601 68.868 -0.006 0.000 0.865 496 T HN -0.005 nan 8.240 nan 0.000 0.421 497 Q N 2.072 121.871 119.800 -0.002 0.000 2.077 497 Q HA -0.012 4.328 4.340 -0.000 0.000 0.206 497 Q C 2.428 178.427 176.000 -0.002 0.000 0.989 497 Q CA 2.341 58.143 55.803 -0.002 0.000 0.853 497 Q CB -1.083 27.653 28.738 -0.003 0.000 0.907 497 Q HN 0.683 nan 8.270 nan 0.000 0.418 498 A N 0.105 122.921 122.820 -0.007 0.000 1.877 498 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 498 A C 2.187 179.763 177.584 -0.013 0.000 1.186 498 A CA 1.638 53.667 52.037 -0.014 0.000 0.620 498 A CB -0.821 18.167 19.000 -0.021 0.000 0.822 498 A HN 0.505 nan 8.150 nan 0.000 0.443 499 I N -0.914 119.655 120.570 -0.001 0.000 2.361 499 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 499 I C 2.781 178.931 176.117 0.055 0.000 1.133 499 I CA 1.633 62.948 61.300 0.025 0.000 1.413 499 I CB -0.153 37.883 38.000 0.060 0.000 1.073 499 I HN 0.517 nan 8.210 nan 0.000 0.424 500 Q N 0.192 120.014 119.800 0.035 0.000 2.163 500 Q HA -0.120 4.220 4.340 -0.000 0.000 0.198 500 Q C 2.290 178.309 176.000 0.031 0.000 0.954 500 Q CA 1.490 57.316 55.803 0.039 0.000 0.851 500 Q CB 0.208 28.959 28.738 0.021 0.000 0.928 500 Q HN 0.532 nan 8.270 nan 0.000 0.459 501 S N 0.033 115.742 115.700 0.015 0.000 2.428 501 S HA -0.011 4.459 4.470 -0.000 0.000 0.230 501 S C 1.960 176.563 174.600 0.006 0.000 1.014 501 S CA 0.691 58.898 58.200 0.011 0.000 0.957 501 S CB -0.099 63.103 63.200 0.003 0.000 0.784 501 S HN 0.416 nan 8.310 nan 0.000 0.499 502 A N 1.874 124.689 122.820 -0.008 0.000 1.929 502 A HA 0.410 4.729 4.320 -0.000 0.000 0.216 502 A C 2.416 179.988 177.584 -0.021 0.000 1.176 502 A CA 1.334 53.349 52.037 -0.036 0.000 0.628 502 A CB -1.163 17.787 19.000 -0.083 0.000 0.816 502 A HN 0.656 nan 8.150 nan 0.000 0.444 503 A N -0.076 122.762 122.820 0.030 0.000 1.854 503 A HA -0.105 4.215 4.320 -0.000 0.000 0.214 503 A C 1.933 179.577 177.584 0.100 0.000 1.192 503 A CA 1.404 53.502 52.037 0.101 0.000 0.611 503 A CB -0.535 18.585 19.000 0.200 0.000 0.832 503 A HN 0.555 nan 8.150 nan 0.000 0.442 504 E N 0.334 120.577 120.200 0.072 0.000 2.085 504 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 504 E C 2.445 179.081 176.600 0.060 0.000 0.994 504 E CA 1.721 58.159 56.400 0.063 0.000 0.801 504 E CB -0.240 29.486 29.700 0.042 0.000 0.743 504 E HN 0.772 nan 8.360 nan 0.000 0.453 505 S N 0.753 116.480 115.700 0.045 0.000 2.357 505 S HA -0.143 4.327 4.470 -0.000 0.000 0.221 505 S C 2.344 176.975 174.600 0.053 0.000 1.031 505 S CA 1.682 59.906 58.200 0.040 0.000 0.982 505 S CB -0.748 62.466 63.200 0.023 0.000 0.853 505 S HN 0.361 nan 8.310 nan 0.000 0.458 506 T N -0.085 114.505 114.554 0.060 0.000 2.915 506 T HA -0.011 4.339 4.350 -0.000 0.000 0.269 506 T C 1.600 176.382 174.700 0.136 0.000 1.071 506 T CA 1.313 63.465 62.100 0.087 0.000 1.132 506 T CB -0.627 68.293 68.868 0.087 0.000 0.878 506 T HN 0.584 nan 8.240 nan 0.000 0.479 507 E N 1.193 121.486 120.200 0.154 0.000 2.031 507 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 507 E C 2.283 178.941 176.600 0.096 0.000 0.994 507 E CA 1.717 58.210 56.400 0.156 0.000 0.800 507 E CB -0.336 29.454 29.700 0.150 0.000 0.752 507 E HN 0.770 nan 8.360 nan 0.000 0.447 508 M N 0.288 119.933 119.600 0.076 0.000 2.213 508 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 508 M C 1.891 178.223 176.300 0.052 0.000 1.062 508 M CA 1.510 56.844 55.300 0.057 0.000 1.105 508 M CB -0.107 32.521 32.600 0.047 0.000 1.385 508 M HN 0.053 nan 8.290 nan 0.000 0.417 509 L N 0.663 121.920 121.223 0.055 0.000 2.093 509 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 509 L C 2.435 179.332 176.870 0.045 0.000 1.085 509 L CA 1.126 55.995 54.840 0.049 0.000 0.755 509 L CB -0.518 41.568 42.059 0.044 0.000 0.904 509 L HN 0.445 nan 8.230 nan 0.000 0.435 510 L N -0.834 120.418 121.223 0.048 0.000 2.275 510 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 510 L C 2.450 179.334 176.870 0.022 0.000 1.119 510 L CA 0.772 55.629 54.840 0.029 0.000 0.790 510 L CB -0.413 41.660 42.059 0.023 0.000 0.919 510 L HN 0.188 nan 8.230 nan 0.000 0.443 511 R N -0.131 120.391 120.500 0.035 0.000 2.316 511 R HA 0.088 4.428 4.340 -0.000 0.000 0.202 511 R C 0.387 176.705 176.300 0.030 0.000 1.029 511 R CA 0.297 56.419 56.100 0.037 0.000 1.018 511 R CB -0.044 30.282 30.300 0.044 0.000 0.888 511 R HN 0.267 nan 8.270 nan 0.000 0.471 512 I N 1.806 122.394 120.570 0.030 0.000 2.395 512 I HA -0.035 4.135 4.170 -0.000 0.000 0.289 512 I C 0.616 176.748 176.117 0.025 0.000 1.023 512 I CA 0.040 61.359 61.300 0.032 0.000 1.350 512 I CB 1.288 39.314 38.000 0.043 0.000 1.409 512 I HN 0.100 nan 8.210 nan 0.000 0.507 513 D N 3.003 123.417 120.400 0.023 0.000 2.502 513 D HA 0.098 4.737 4.640 -0.000 0.000 0.232 513 D C -0.048 176.272 176.300 0.032 0.000 1.137 513 D CA 0.030 54.041 54.000 0.018 0.000 0.827 513 D CB 0.464 41.264 40.800 -0.001 0.000 1.141 513 D HN 0.273 nan 8.370 nan 0.000 0.517 514 D N 0.315 120.734 120.400 0.033 0.000 2.780 514 D HA 0.455 5.095 4.640 -0.000 0.000 0.242 514 D C -1.107 175.208 176.300 0.025 0.000 1.135 514 D CA -0.580 53.438 54.000 0.030 0.000 0.859 514 D CB 2.824 43.632 40.800 0.014 0.000 1.530 514 D HN -0.174 nan 8.370 nan 0.000 0.493 515 V N 3.159 123.080 119.914 0.012 0.000 2.914 515 V HA 0.580 4.699 4.120 -0.000 0.000 0.314 515 V C 0.101 176.128 176.094 -0.111 0.000 1.084 515 V CA -0.764 61.519 62.300 -0.027 0.000 0.963 515 V CB 2.188 34.015 31.823 0.008 0.000 1.025 515 V HN 0.494 nan 8.190 nan 0.000 0.432 516 I N 2.782 123.285 120.570 -0.112 0.000 2.698 516 I HA 0.544 4.714 4.170 -0.000 0.000 0.276 516 I C 0.223 176.256 176.117 -0.139 0.000 1.166 516 I CA -0.239 60.982 61.300 -0.132 0.000 1.101 516 I CB 1.254 39.206 38.000 -0.079 0.000 1.305 516 I HN 0.702 nan 8.210 nan 0.000 0.526 517 A N 3.896 126.591 122.820 -0.209 0.000 2.301 517 A HA 0.891 5.210 4.320 -0.000 0.000 0.298 517 A C 0.146 177.651 177.584 -0.132 0.000 1.185 517 A CA -0.152 51.783 52.037 -0.170 0.000 0.830 517 A CB 0.791 19.661 19.000 -0.216 0.000 1.112 517 A HN 0.651 nan 8.150 nan 0.000 0.508 518 A N 1.542 124.310 122.820 -0.087 0.000 2.312 518 A HA 0.848 5.168 4.320 -0.000 0.000 0.310 518 A C 0.329 177.884 177.584 -0.050 0.000 1.139 518 A CA -0.054 51.944 52.037 -0.065 0.000 0.886 518 A CB 0.464 19.434 19.000 -0.049 0.000 1.350 518 A HN 1.229 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 -0.027 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