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 2ign_1_B DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.272 176.300 -0.046 0.000 1.140 43 M CA 0.000 55.289 55.300 -0.018 0.000 0.988 43 M CB 0.000 32.459 32.600 -0.235 0.000 1.302 44 D N 0.978 121.383 120.400 0.009 0.000 2.370 44 D HA 0.135 4.774 4.640 -0.001 0.000 0.235 44 D C 1.261 177.481 176.300 -0.133 0.000 1.228 44 D CA 0.349 54.261 54.000 -0.146 0.000 0.884 44 D CB 0.655 41.217 40.800 -0.397 0.000 1.201 44 D HN 0.501 nan 8.370 nan 0.000 0.456 45 I N -2.179 118.289 120.570 -0.170 0.000 4.018 45 I HA 0.222 4.391 4.170 -0.001 0.000 0.337 45 I C 0.360 176.426 176.117 -0.084 0.000 1.327 45 I CA -0.281 60.984 61.300 -0.059 0.000 1.100 45 I CB -0.590 37.398 38.000 -0.019 0.000 1.025 45 I HN 0.006 nan 8.210 nan 0.000 0.396 46 K N 0.958 121.147 120.400 -0.352 0.000 2.463 46 K HA 0.602 4.921 4.320 -0.001 0.000 0.255 46 K C -1.820 174.426 176.600 -0.590 0.000 0.942 46 K CA -0.568 55.548 56.287 -0.285 0.000 0.814 46 K CB 1.017 33.422 32.500 -0.158 0.000 1.122 46 K HN 0.063 nan 8.250 nan 0.000 0.425 47 Y N 1.110 121.412 120.300 0.004 0.000 2.634 47 Y HA 0.282 4.832 4.550 -0.001 0.000 0.340 47 Y C 0.724 176.619 175.900 -0.009 0.000 1.058 47 Y CA -0.802 57.300 58.100 0.002 0.000 1.081 47 Y CB 1.836 40.295 38.460 -0.003 0.000 1.295 47 Y HN 0.580 nan 8.280 nan 0.000 0.487 48 D N 0.068 120.580 120.400 0.187 0.000 2.103 48 D HA 0.031 4.671 4.640 -0.001 0.000 0.199 48 D C -0.359 175.956 176.300 0.025 0.000 0.978 48 D CA 1.476 55.564 54.000 0.147 0.000 0.829 48 D CB 0.268 41.229 40.800 0.269 0.000 0.981 48 D HN 0.112 nan 8.370 nan 0.000 0.464 49 V N 1.140 121.064 119.914 0.017 0.000 2.638 49 V HA 0.359 4.478 4.120 -0.001 0.000 0.306 49 V C -0.346 175.671 176.094 -0.128 0.000 1.052 49 V CA -1.054 61.161 62.300 -0.142 0.000 0.885 49 V CB 2.408 34.121 31.823 -0.182 0.000 0.999 49 V HN -0.011 nan 8.190 nan 0.000 0.424 50 V N 3.167 122.954 119.914 -0.211 0.000 2.513 50 V HA 0.755 4.874 4.120 -0.001 0.000 0.299 50 V C -0.609 175.433 176.094 -0.087 0.000 1.035 50 V CA -0.566 61.663 62.300 -0.118 0.000 0.889 50 V CB 1.661 33.484 31.823 -0.001 0.000 0.988 50 V HN 0.689 nan 8.190 nan 0.000 0.440 51 I N 4.473 125.018 120.570 -0.042 0.000 2.436 51 I HA 0.453 4.622 4.170 -0.001 0.000 0.289 51 I C -0.503 175.643 176.117 0.048 0.000 1.010 51 I CA -0.927 60.334 61.300 -0.064 0.000 1.098 51 I CB 2.221 40.166 38.000 -0.091 0.000 1.266 51 I HN 0.450 nan 8.210 nan 0.000 0.434 52 V N 5.678 125.608 119.914 0.026 0.000 2.368 52 V HA 0.750 4.870 4.120 -0.001 0.000 0.266 52 V C 0.551 176.657 176.094 0.020 0.000 1.045 52 V CA -0.219 62.117 62.300 0.061 0.000 0.899 52 V CB 0.371 32.203 31.823 0.016 0.000 1.006 52 V HN 1.067 nan 8.190 nan 0.000 0.470 53 G N 4.019 112.847 108.800 0.045 0.000 2.906 53 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.686 53 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.686 53 G C -0.059 174.860 174.900 0.032 0.000 1.170 53 G CA -0.244 44.874 45.100 0.030 0.000 0.775 53 G HN 1.335 nan 8.290 nan 0.000 0.630 54 S N 0.992 116.715 115.700 0.039 0.000 2.664 54 S HA 0.611 5.080 4.470 -0.001 0.000 0.245 54 S C 1.286 175.906 174.600 0.034 0.000 1.019 54 S CA 0.748 58.979 58.200 0.051 0.000 0.996 54 S CB 0.595 63.837 63.200 0.070 0.000 0.878 54 S HN 1.975 nan 8.310 nan 0.000 0.493 55 G N 2.729 111.540 108.800 0.018 0.000 2.631 55 G HA2 0.382 4.341 3.960 -0.001 0.000 0.271 55 G HA3 0.382 4.341 3.960 -0.001 0.000 0.271 55 G C -1.142 173.749 174.900 -0.015 0.000 1.302 55 G CA -1.211 43.886 45.100 -0.006 0.000 1.002 55 G HN 0.243 nan 8.290 nan 0.000 0.519 56 P HA -0.068 nan 4.420 nan 0.000 0.220 56 P C 1.711 178.966 177.300 -0.076 0.000 1.148 56 P CA 0.732 63.793 63.100 -0.065 0.000 0.803 56 P CB 0.187 31.859 31.700 -0.048 0.000 0.782 57 I N 0.164 120.722 120.570 -0.020 0.000 2.277 57 I HA -0.035 4.134 4.170 -0.001 0.000 0.243 57 I C 2.721 178.904 176.117 0.110 0.000 1.094 57 I CA 1.552 62.873 61.300 0.034 0.000 1.393 57 I CB -2.291 35.752 38.000 0.072 0.000 1.078 57 I HN -0.002 nan 8.210 nan 0.000 0.417 58 G N 0.346 109.187 108.800 0.068 0.000 2.440 58 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.218 58 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.218 58 G C 1.782 176.689 174.900 0.012 0.000 1.154 58 G CA 1.099 46.227 45.100 0.048 0.000 0.767 58 G HN 0.410 nan 8.290 nan 0.000 0.552 59 C N 0.582 119.865 119.300 -0.028 0.000 2.432 59 C HA 0.030 4.490 4.460 -0.001 0.000 0.280 59 C C 3.190 178.061 174.990 -0.198 0.000 1.353 59 C CA 1.379 60.337 59.018 -0.100 0.000 1.766 59 C CB -0.986 26.743 27.740 -0.018 0.000 1.924 59 C HN 0.460 nan 8.230 nan 0.000 0.509 60 T N -0.047 114.420 114.554 -0.145 0.000 2.737 60 T HA -0.160 4.189 4.350 -0.001 0.000 0.265 60 T C 1.466 176.025 174.700 -0.235 0.000 1.038 60 T CA 1.622 63.609 62.100 -0.190 0.000 1.144 60 T CB -0.417 68.355 68.868 -0.161 0.000 0.866 60 T HN 0.564 nan 8.240 nan 0.000 0.434 61 Y N 1.516 121.684 120.300 -0.219 0.000 2.181 61 Y HA -0.068 4.481 4.550 -0.001 0.000 0.288 61 Y C 2.771 178.464 175.900 -0.346 0.000 1.146 61 Y CA 0.943 58.895 58.100 -0.247 0.000 1.164 61 Y CB -0.685 37.648 38.460 -0.212 0.000 0.982 61 Y HN 0.194 nan 8.280 nan 0.000 0.515 62 A N 0.301 122.940 122.820 -0.302 0.000 1.865 62 A HA -0.267 4.053 4.320 -0.001 0.000 0.217 62 A C 2.273 179.289 177.584 -0.946 0.000 1.191 62 A CA 2.035 53.635 52.037 -0.729 0.000 0.623 62 A CB -0.831 17.481 19.000 -1.147 0.000 0.826 62 A HN 0.454 nan 8.150 nan 0.000 0.444 63 R N -0.460 119.545 120.500 -0.824 0.000 2.083 63 R HA -0.170 4.169 4.340 -0.001 0.000 0.237 63 R C 2.062 178.151 176.300 -0.350 0.000 1.137 63 R CA 1.796 57.555 56.100 -0.568 0.000 0.951 63 R CB -0.277 29.725 30.300 -0.497 0.000 0.851 63 R HN 0.574 nan 8.270 nan 0.000 0.434 64 E N 0.464 120.493 120.200 -0.285 0.000 2.047 64 E HA -0.181 4.168 4.350 -0.001 0.000 0.191 64 E C 2.141 178.676 176.600 -0.107 0.000 0.987 64 E CA 1.342 57.648 56.400 -0.157 0.000 0.799 64 E CB -0.087 29.514 29.700 -0.164 0.000 0.752 64 E HN 0.435 nan 8.360 nan 0.000 0.449 65 L N 0.306 121.440 121.223 -0.148 0.000 2.162 65 L HA -0.061 4.278 4.340 -0.001 0.000 0.205 65 L C 2.552 179.480 176.870 0.096 0.000 1.086 65 L CA 0.253 55.064 54.840 -0.048 0.000 0.778 65 L CB -0.296 41.631 42.059 -0.220 0.000 0.928 65 L HN -0.058 nan 8.230 nan 0.000 0.446 66 V N 0.638 120.517 119.914 -0.059 0.000 2.295 66 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 66 V C 2.659 178.779 176.094 0.043 0.000 1.049 66 V CA 2.139 64.445 62.300 0.010 0.000 1.024 66 V CB -1.283 30.480 31.823 -0.101 0.000 0.648 66 V HN 0.564 nan 8.190 nan 0.000 0.447 67 G N -0.455 108.342 108.800 -0.005 0.000 2.422 67 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.218 67 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.218 67 G C 1.504 176.419 174.900 0.024 0.000 1.146 67 G CA 0.876 45.980 45.100 0.006 0.000 0.769 67 G HN 0.648 nan 8.290 nan 0.000 0.547 68 A N -0.449 122.415 122.820 0.073 0.000 2.238 68 A HA 0.478 4.797 4.320 -0.001 0.000 0.208 68 A C 1.896 179.486 177.584 0.009 0.000 1.177 68 A CA 1.242 53.336 52.037 0.094 0.000 0.804 68 A CB -0.419 18.719 19.000 0.230 0.000 0.823 68 A HN 1.609 nan 8.150 nan 0.000 0.482 69 G N -2.284 106.530 108.800 0.023 0.000 2.141 69 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.231 69 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.231 69 G C -0.110 174.736 174.900 -0.090 0.000 0.984 69 G CA 0.035 45.103 45.100 -0.053 0.000 0.660 69 G HN 0.392 nan 8.290 nan 0.000 0.525 70 Y N 0.438 120.764 120.300 0.044 0.000 2.346 70 Y HA 0.423 4.972 4.550 -0.001 0.000 0.330 70 Y C 1.114 177.071 175.900 0.095 0.000 1.178 70 Y CA -0.013 58.121 58.100 0.057 0.000 1.331 70 Y CB 0.813 39.285 38.460 0.021 0.000 1.253 70 Y HN 0.087 nan 8.280 nan 0.000 0.529 71 K N 3.181 123.731 120.400 0.251 0.000 2.292 71 K HA 0.376 4.695 4.320 -0.001 0.000 0.290 71 K C -1.484 175.277 176.600 0.269 0.000 1.083 71 K CA -0.103 56.330 56.287 0.242 0.000 0.918 71 K CB -0.032 32.580 32.500 0.187 0.000 1.089 71 K HN 0.495 nan 8.250 nan 0.000 0.473 72 V N 3.129 123.179 119.914 0.227 0.000 2.513 72 V HA 0.607 4.727 4.120 -0.001 0.000 0.299 72 V C -0.336 175.681 176.094 -0.128 0.000 1.035 72 V CA -0.916 61.450 62.300 0.111 0.000 0.889 72 V CB 1.527 33.456 31.823 0.178 0.000 0.988 72 V HN 0.878 nan 8.190 nan 0.000 0.440 73 A N 5.549 128.126 122.820 -0.406 0.000 2.350 73 A HA 0.934 5.253 4.320 -0.001 0.000 0.324 73 A C -0.705 176.527 177.584 -0.587 0.000 1.118 73 A CA -0.614 50.951 52.037 -0.787 0.000 0.783 73 A CB 1.587 19.731 19.000 -1.427 0.000 1.236 73 A HN 0.906 nan 8.150 nan 0.000 0.457 74 M N 2.407 121.579 119.600 -0.714 0.000 2.326 74 M HA 0.736 5.216 4.480 -0.001 0.000 0.306 74 M C -2.159 173.779 176.300 -0.604 0.000 1.054 74 M CA -0.429 54.630 55.300 -0.401 0.000 0.922 74 M CB 1.167 33.739 32.600 -0.047 0.000 1.632 74 M HN 0.596 nan 8.290 nan 0.000 0.436 75 F N 2.288 122.232 119.950 -0.009 0.000 2.480 75 F HA 0.573 5.099 4.527 -0.001 0.000 0.329 75 F C -0.094 175.705 175.800 -0.001 0.000 1.091 75 F CA -0.497 57.514 58.000 0.020 0.000 0.972 75 F CB 1.439 40.430 39.000 -0.015 0.000 1.150 75 F HN 0.459 nan 8.300 nan 0.000 0.467 76 D N 2.583 123.079 120.400 0.160 0.000 2.879 76 D HA 0.230 4.869 4.640 -0.001 0.000 0.236 76 D C 0.491 176.819 176.300 0.047 0.000 1.171 76 D CA -0.353 53.692 54.000 0.075 0.000 0.868 76 D CB 2.523 43.349 40.800 0.043 0.000 1.598 76 D HN 0.648 nan 8.370 nan 0.000 0.497 77 I N 1.932 122.483 120.570 -0.032 0.000 2.614 77 I HA 0.027 4.196 4.170 -0.001 0.000 0.258 77 I C 1.157 177.235 176.117 -0.066 0.000 1.189 77 I CA 0.777 62.014 61.300 -0.105 0.000 1.462 77 I CB 0.144 37.968 38.000 -0.293 0.000 1.092 77 I HN 0.339 nan 8.210 nan 0.000 0.442 78 G N -0.071 108.709 108.800 -0.033 0.000 2.537 78 G HA2 0.391 4.350 3.960 -0.001 0.000 0.297 78 G HA3 0.391 4.350 3.960 -0.001 0.000 0.297 78 G C -0.809 174.107 174.900 0.027 0.000 1.310 78 G CA -0.420 44.683 45.100 0.005 0.000 1.027 78 G HN 0.302 nan 8.290 nan 0.000 0.505 79 E N -1.448 118.773 120.200 0.034 0.000 2.339 79 E HA 0.387 4.737 4.350 -0.001 0.000 0.262 79 E C -0.590 176.032 176.600 0.036 0.000 0.934 79 E CA -0.766 55.656 56.400 0.037 0.000 0.802 79 E CB 2.565 32.290 29.700 0.040 0.000 1.275 79 E HN 0.241 nan 8.360 nan 0.000 0.427 80 I N 2.439 123.029 120.570 0.033 0.000 2.396 80 I HA 0.055 4.225 4.170 -0.001 0.000 0.289 80 I C -0.327 175.815 176.117 0.042 0.000 1.056 80 I CA 0.446 61.767 61.300 0.035 0.000 1.365 80 I CB 0.240 38.255 38.000 0.026 0.000 1.407 80 I HN 0.554 nan 8.210 nan 0.000 0.509 81 D N 2.562 122.992 120.400 0.051 0.000 3.484 81 D HA 0.015 4.654 4.640 -0.001 0.000 0.315 81 D C -0.230 176.119 176.300 0.082 0.000 1.516 81 D CA -0.318 53.719 54.000 0.061 0.000 0.755 81 D CB -0.225 40.608 40.800 0.055 0.000 1.306 81 D HN 0.196 nan 8.370 nan 0.000 0.615 82 S N 0.027 115.779 115.700 0.086 0.000 2.651 82 S HA 0.640 5.109 4.470 -0.001 0.000 0.246 82 S C 0.959 175.627 174.600 0.113 0.000 1.039 82 S CA -0.001 58.268 58.200 0.116 0.000 1.013 82 S CB 0.717 63.989 63.200 0.120 0.000 0.861 82 S HN 0.891 nan 8.310 nan 0.000 0.485 83 G N 1.595 110.450 108.800 0.092 0.000 2.584 83 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.229 83 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.229 83 G C 0.348 175.283 174.900 0.059 0.000 1.320 83 G CA -0.241 44.907 45.100 0.079 0.000 0.891 83 G HN 0.318 nan 8.290 nan 0.000 0.573 84 L N 0.253 121.506 121.223 0.049 0.000 2.291 84 L HA 0.098 4.437 4.340 -0.001 0.000 0.214 84 L C 1.465 178.350 176.870 0.024 0.000 1.120 84 L CA 1.058 55.916 54.840 0.030 0.000 0.799 84 L CB -0.355 41.716 42.059 0.021 0.000 0.925 84 L HN 0.300 nan 8.230 nan 0.000 0.446 85 K N 1.647 122.072 120.400 0.042 0.000 2.268 85 K HA 0.371 4.690 4.320 -0.001 0.000 0.276 85 K C -0.324 176.303 176.600 0.044 0.000 1.080 85 K CA -0.283 56.026 56.287 0.036 0.000 0.910 85 K CB 1.191 33.727 32.500 0.060 0.000 1.163 85 K HN 0.072 nan 8.250 nan 0.000 0.465 86 I N 1.805 122.386 120.570 0.017 0.000 2.618 86 I HA -0.037 4.132 4.170 -0.001 0.000 0.284 86 I C 1.318 177.459 176.117 0.039 0.000 1.146 86 I CA 0.661 61.976 61.300 0.025 0.000 1.425 86 I CB 0.502 38.506 38.000 0.007 0.000 1.383 86 I HN 0.953 nan 8.210 nan 0.000 0.562 87 G N 4.381 113.215 108.800 0.057 0.000 2.160 87 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.251 87 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.251 87 G C 0.274 175.232 174.900 0.096 0.000 1.008 87 G CA 0.135 45.275 45.100 0.066 0.000 0.724 87 G HN 0.962 nan 8.290 nan 0.000 0.514 88 A N -0.556 122.335 122.820 0.118 0.000 2.257 88 A HA 0.660 4.979 4.320 -0.001 0.000 0.289 88 A C 0.534 178.251 177.584 0.221 0.000 1.095 88 A CA -0.402 51.743 52.037 0.180 0.000 0.836 88 A CB 0.366 19.472 19.000 0.177 0.000 1.111 88 A HN 0.609 nan 8.150 nan 0.000 0.497 89 H N 0.488 119.702 119.070 0.240 0.000 2.848 89 H HA 0.102 4.658 4.556 -0.001 0.000 0.317 89 H C 0.719 176.183 175.328 0.227 0.000 1.046 89 H CA 0.698 56.903 56.048 0.261 0.000 1.470 89 H CB 0.808 30.746 29.762 0.293 0.000 1.483 89 H HN 0.671 nan 8.280 nan 0.000 0.548 90 K N 3.503 124.113 120.400 0.350 0.000 2.362 90 K HA -0.120 4.199 4.320 -0.001 0.000 0.200 90 K C 1.681 178.563 176.600 0.470 0.000 1.046 90 K CA 0.751 57.300 56.287 0.437 0.000 0.952 90 K CB 0.333 33.087 32.500 0.423 0.000 0.753 90 K HN 0.403 nan 8.250 nan 0.000 0.466 91 K N 0.934 121.490 120.400 0.260 0.000 2.486 91 K HA -0.006 4.313 4.320 -0.001 0.000 0.194 91 K C 0.353 176.971 176.600 0.029 0.000 1.033 91 K CA 0.482 56.585 56.287 -0.307 0.000 1.004 91 K CB 0.264 32.156 32.500 -1.013 0.000 0.798 91 K HN 0.004 nan 8.250 nan 0.000 0.495 92 N N 1.561 120.382 118.700 0.203 0.000 2.466 92 N HA -0.010 4.730 4.740 -0.001 0.000 0.251 92 N C -0.790 174.934 175.510 0.357 0.000 1.164 92 N CA 0.223 53.403 53.050 0.216 0.000 0.888 92 N CB 0.746 39.434 38.487 0.335 0.000 1.177 92 N HN 0.239 nan 8.380 nan 0.000 0.498 93 T N -4.168 110.573 114.554 0.312 0.000 2.925 93 T HA 0.347 4.696 4.350 -0.001 0.000 0.285 93 T C 1.527 176.385 174.700 0.264 0.000 1.021 93 T CA -0.746 61.529 62.100 0.293 0.000 1.042 93 T CB 1.696 70.700 68.868 0.227 0.000 1.037 93 T HN -0.196 nan 8.240 nan 0.000 0.481 94 V N 1.403 121.466 119.914 0.248 0.000 2.407 94 V HA -0.120 4.000 4.120 -0.001 0.000 0.248 94 V C 2.866 179.018 176.094 0.097 0.000 1.055 94 V CA 1.705 64.133 62.300 0.213 0.000 1.049 94 V CB -0.805 31.111 31.823 0.156 0.000 0.662 94 V HN 0.881 nan 8.190 nan 0.000 0.455 95 E N -0.362 119.843 120.200 0.010 0.000 2.058 95 E HA -0.225 4.124 4.350 -0.001 0.000 0.194 95 E C 2.147 178.691 176.600 -0.094 0.000 0.997 95 E CA 1.760 58.099 56.400 -0.102 0.000 0.801 95 E CB -0.320 29.226 29.700 -0.257 0.000 0.746 95 E HN 0.732 nan 8.360 nan 0.000 0.450 96 Y N 1.131 121.490 120.300 0.099 0.000 2.395 96 Y HA -0.058 4.492 4.550 -0.001 0.000 0.293 96 Y C 2.454 178.364 175.900 0.015 0.000 1.123 96 Y CA 0.673 58.822 58.100 0.082 0.000 1.227 96 Y CB -0.140 38.384 38.460 0.107 0.000 1.012 96 Y HN 0.028 nan 8.280 nan 0.000 0.552 97 Q N 0.368 120.240 119.800 0.120 0.000 2.224 97 Q HA -0.135 4.204 4.340 -0.001 0.000 0.203 97 Q C 1.694 177.733 176.000 0.065 0.000 0.970 97 Q CA 1.129 56.947 55.803 0.025 0.000 0.865 97 Q CB -0.113 28.574 28.738 -0.085 0.000 0.922 97 Q HN 0.514 nan 8.270 nan 0.000 0.445 98 K N 0.308 120.754 120.400 0.077 0.000 2.314 98 K HA 0.059 4.379 4.320 -0.001 0.000 0.198 98 K C 0.343 176.986 176.600 0.071 0.000 1.045 98 K CA 0.386 56.712 56.287 0.064 0.000 0.988 98 K CB 0.439 32.968 32.500 0.047 0.000 0.783 98 K HN 0.120 nan 8.250 nan 0.000 0.484 99 N N 1.159 119.922 118.700 0.105 0.000 2.733 99 N HA 0.082 4.822 4.740 -0.001 0.000 0.271 99 N C 0.224 175.865 175.510 0.218 0.000 1.720 99 N CA 0.031 53.161 53.050 0.133 0.000 0.803 99 N CB 1.076 39.628 38.487 0.109 0.000 1.208 99 N HN 0.045 nan 8.380 nan 0.000 0.498 100 I N 0.350 121.027 120.570 0.178 0.000 2.361 100 I HA -0.233 3.937 4.170 -0.001 0.000 0.251 100 I C 0.984 177.225 176.117 0.208 0.000 1.133 100 I CA 1.560 62.964 61.300 0.172 0.000 1.413 100 I CB 0.375 38.424 38.000 0.083 0.000 1.073 100 I HN 0.105 nan 8.210 nan 0.000 0.424 101 D N 1.045 121.568 120.400 0.205 0.000 2.264 101 D HA -0.155 4.485 4.640 -0.001 0.000 0.208 101 D C 1.952 178.358 176.300 0.176 0.000 0.966 101 D CA 0.697 54.818 54.000 0.201 0.000 0.864 101 D CB -0.131 40.821 40.800 0.254 0.000 0.933 101 D HN 0.321 nan 8.370 nan 0.000 0.499 102 K N 0.165 120.706 120.400 0.236 0.000 2.280 102 K HA -0.097 4.223 4.320 -0.001 0.000 0.202 102 K C 1.753 178.486 176.600 0.221 0.000 1.047 102 K CA 0.042 56.480 56.287 0.253 0.000 0.942 102 K CB -0.418 32.293 32.500 0.351 0.000 0.739 102 K HN 0.212 nan 8.250 nan 0.000 0.457 103 F N 1.793 121.736 119.950 -0.012 0.000 2.333 103 F HA -0.185 4.341 4.527 -0.001 0.000 0.300 103 F C 1.917 177.603 175.800 -0.191 0.000 1.083 103 F CA 0.678 58.488 58.000 -0.317 0.000 1.395 103 F CB -0.171 38.601 39.000 -0.380 0.000 1.056 103 F HN -0.160 nan 8.300 nan 0.000 0.529 104 V N -1.549 118.303 119.914 -0.104 0.000 2.469 104 V HA -0.311 3.808 4.120 -0.001 0.000 0.251 104 V C 1.810 177.760 176.094 -0.241 0.000 1.064 104 V CA 2.430 64.622 62.300 -0.180 0.000 1.066 104 V CB -1.360 30.368 31.823 -0.158 0.000 0.667 104 V HN 0.354 nan 8.190 nan 0.000 0.461 105 N N 0.808 119.388 118.700 -0.200 0.000 2.188 105 N HA -0.087 4.652 4.740 -0.001 0.000 0.184 105 N C 1.677 177.034 175.510 -0.254 0.000 1.018 105 N CA 1.557 54.505 53.050 -0.170 0.000 0.858 105 N CB -0.400 38.049 38.487 -0.063 0.000 0.989 105 N HN 0.436 nan 8.380 nan 0.000 0.426 106 V N 1.119 120.749 119.914 -0.474 0.000 2.358 106 V HA -0.186 3.933 4.120 -0.001 0.000 0.246 106 V C 2.009 177.811 176.094 -0.487 0.000 1.047 106 V CA 1.367 63.328 62.300 -0.565 0.000 1.035 106 V CB -0.478 30.692 31.823 -1.089 0.000 0.658 106 V HN 0.292 nan 8.190 nan 0.000 0.452 107 I N -0.243 119.991 120.570 -0.561 0.000 2.142 107 I HA -0.327 3.842 4.170 -0.001 0.000 0.240 107 I C 2.702 178.711 176.117 -0.180 0.000 1.078 107 I CA 1.774 62.891 61.300 -0.305 0.000 1.343 107 I CB -0.434 37.427 38.000 -0.231 0.000 1.046 107 I HN 0.335 nan 8.210 nan 0.000 0.405 108 Q N 0.385 120.079 119.800 -0.176 0.000 2.124 108 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 108 Q C 2.342 178.287 176.000 -0.092 0.000 0.977 108 Q CA 1.551 57.282 55.803 -0.120 0.000 0.850 108 Q CB -0.439 28.227 28.738 -0.121 0.000 0.901 108 Q HN 0.659 nan 8.270 nan 0.000 0.429 109 G N 1.272 110.008 108.800 -0.107 0.000 2.443 109 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.219 109 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.219 109 G C 1.269 176.142 174.900 -0.046 0.000 1.131 109 G CA 0.741 45.800 45.100 -0.069 0.000 0.775 109 G HN 0.454 nan 8.290 nan 0.000 0.547 110 Q N -0.607 119.158 119.800 -0.058 0.000 2.396 110 Q HA 0.302 4.641 4.340 -0.001 0.000 0.209 110 Q C 0.734 176.732 176.000 -0.002 0.000 0.906 110 Q CA -0.144 55.645 55.803 -0.024 0.000 0.927 110 Q CB 0.038 28.760 28.738 -0.025 0.000 1.069 110 Q HN 0.297 nan 8.270 nan 0.000 0.523 111 L N 2.079 123.293 121.223 -0.015 0.000 2.319 111 L HA 0.299 4.638 4.340 -0.001 0.000 0.280 111 L C -0.528 176.352 176.870 0.017 0.000 1.099 111 L CA -0.464 54.379 54.840 0.006 0.000 0.828 111 L CB 0.949 43.001 42.059 -0.012 0.000 1.150 111 L HN 0.159 nan 8.230 nan 0.000 0.442 112 M N 2.473 122.100 119.600 0.045 0.000 2.181 112 M HA 0.276 4.755 4.480 -0.001 0.000 0.323 112 M C -0.049 176.285 176.300 0.056 0.000 1.004 112 M CA -0.812 54.521 55.300 0.055 0.000 0.941 112 M CB 1.462 34.118 32.600 0.094 0.000 1.579 112 M HN 0.337 nan 8.290 nan 0.000 0.427 113 S N 1.825 117.547 115.700 0.037 0.000 2.558 113 S HA 0.126 4.595 4.470 -0.001 0.000 0.293 113 S C 1.595 176.228 174.600 0.055 0.000 1.292 113 S CA -0.458 57.763 58.200 0.035 0.000 1.063 113 S CB 0.532 63.742 63.200 0.016 0.000 0.831 113 S HN 0.560 nan 8.310 nan 0.000 0.499 114 V N 2.474 122.434 119.914 0.076 0.000 2.323 114 V HA 0.010 4.129 4.120 -0.001 0.000 0.244 114 V C 1.195 177.298 176.094 0.015 0.000 1.041 114 V CA 1.428 63.770 62.300 0.070 0.000 1.025 114 V CB 0.086 31.996 31.823 0.145 0.000 0.656 114 V HN 0.794 nan 8.190 nan 0.000 0.451 115 S N -0.540 115.188 115.700 0.048 0.000 2.736 115 S HA 0.543 5.012 4.470 -0.001 0.000 0.285 115 S C -1.159 173.445 174.600 0.006 0.000 1.163 115 S CA -0.461 57.731 58.200 -0.014 0.000 1.025 115 S CB 1.526 64.681 63.200 -0.074 0.000 1.030 115 S HN -0.006 nan 8.310 nan 0.000 0.486 116 V N 7.802 127.706 119.914 -0.017 0.000 2.357 116 V HA 0.549 4.668 4.120 -0.001 0.000 0.284 116 V C -2.013 174.063 176.094 -0.031 0.000 1.018 116 V CA -1.834 60.455 62.300 -0.019 0.000 0.841 116 V CB 1.520 33.331 31.823 -0.019 0.000 0.991 116 V HN 0.712 nan 8.190 nan 0.000 0.437 117 P HA 0.142 nan 4.420 nan 0.000 0.272 117 P C -0.107 177.166 177.300 -0.044 0.000 1.240 117 P CA -0.098 62.980 63.100 -0.036 0.000 0.791 117 P CB 0.800 32.479 31.700 -0.034 0.000 0.978 118 V N 2.301 122.191 119.914 -0.039 0.000 2.617 118 V HA -0.066 4.054 4.120 -0.001 0.000 0.304 118 V C 1.305 177.345 176.094 -0.090 0.000 1.040 118 V CA 0.299 62.571 62.300 -0.046 0.000 1.149 118 V CB -0.822 30.995 31.823 -0.010 0.000 0.914 118 V HN 0.620 nan 8.190 nan 0.000 0.487 119 N N 3.779 122.419 118.700 -0.102 0.000 2.470 119 N HA 0.084 4.823 4.740 -0.001 0.000 0.268 119 N C 0.636 175.966 175.510 -0.301 0.000 1.136 119 N CA 0.401 53.363 53.050 -0.146 0.000 0.961 119 N CB 1.516 39.949 38.487 -0.090 0.000 1.067 119 N HN 0.874 nan 8.380 nan 0.000 0.468 120 T N 1.005 115.261 114.554 -0.495 0.000 3.228 120 T HA 0.269 4.619 4.350 -0.001 0.000 0.278 120 T C 0.788 175.015 174.700 -0.789 0.000 1.014 120 T CA -0.437 60.957 62.100 -1.176 0.000 0.904 120 T CB -0.447 67.888 68.868 -0.889 0.000 1.110 120 T HN 0.278 nan 8.240 nan 0.000 0.541 121 L N 1.972 123.002 121.223 -0.322 0.000 2.453 121 L HA 0.382 4.721 4.340 -0.001 0.000 0.272 121 L C 0.041 176.958 176.870 0.078 0.000 1.182 121 L CA -0.744 54.035 54.840 -0.101 0.000 0.858 121 L CB 0.847 42.880 42.059 -0.044 0.000 1.120 121 L HN 0.058 nan 8.230 nan 0.000 0.474 122 V N 4.643 124.625 119.914 0.114 0.000 2.406 122 V HA 0.199 4.318 4.120 -0.001 0.000 0.272 122 V C 0.168 176.328 176.094 0.111 0.000 1.043 122 V CA -0.502 61.916 62.300 0.197 0.000 0.915 122 V CB 1.572 33.495 31.823 0.167 0.000 0.988 122 V HN 0.417 nan 8.190 nan 0.000 0.466 123 V N 5.305 125.284 119.914 0.109 0.000 2.311 123 V HA 0.359 4.478 4.120 -0.001 0.000 0.275 123 V C 0.212 176.336 176.094 0.050 0.000 1.022 123 V CA -0.405 61.936 62.300 0.068 0.000 0.830 123 V CB 1.372 33.236 31.823 0.068 0.000 1.012 123 V HN 1.067 nan 8.190 nan 0.000 0.452 124 D N 2.026 122.449 120.400 0.037 0.000 2.535 124 D HA 0.008 4.648 4.640 -0.001 0.000 0.229 124 D C 1.091 177.400 176.300 0.015 0.000 1.238 124 D CA 0.278 54.290 54.000 0.021 0.000 0.824 124 D CB 0.430 41.242 40.800 0.020 0.000 1.045 124 D HN 0.548 nan 8.370 nan 0.000 0.500 125 T N -1.815 112.751 114.554 0.020 0.000 3.228 125 T HA 0.334 4.683 4.350 -0.001 0.000 0.278 125 T C 0.724 175.435 174.700 0.019 0.000 1.014 125 T CA -0.538 61.572 62.100 0.017 0.000 0.904 125 T CB -0.268 68.610 68.868 0.017 0.000 1.110 125 T HN 0.013 nan 8.240 nan 0.000 0.541 126 L N 2.040 123.276 121.223 0.021 0.000 2.483 126 L HA 0.273 4.612 4.340 -0.001 0.000 0.275 126 L C 1.160 178.041 176.870 0.018 0.000 1.220 126 L CA -0.445 54.410 54.840 0.026 0.000 0.833 126 L CB 0.306 42.383 42.059 0.032 0.000 1.102 126 L HN 0.245 nan 8.230 nan 0.000 0.490 127 S N 1.706 117.420 115.700 0.023 0.000 2.568 127 S HA 0.118 4.587 4.470 -0.001 0.000 0.282 127 S C -1.449 173.159 174.600 0.012 0.000 1.338 127 S CA -1.064 57.147 58.200 0.018 0.000 1.045 127 S CB 0.813 64.027 63.200 0.023 0.000 0.873 127 S HN 0.398 nan 8.310 nan 0.000 0.516 128 P HA -0.061 nan 4.420 nan 0.000 0.223 128 P C 1.269 178.570 177.300 0.002 0.000 1.144 128 P CA 1.201 64.298 63.100 -0.004 0.000 0.783 128 P CB -0.213 31.484 31.700 -0.006 0.000 0.771 129 T N -5.665 108.899 114.554 0.017 0.000 3.067 129 T HA 0.095 4.444 4.350 -0.001 0.000 0.261 129 T C 1.011 175.743 174.700 0.054 0.000 1.110 129 T CA 0.057 62.174 62.100 0.029 0.000 1.113 129 T CB -0.573 68.313 68.868 0.031 0.000 0.917 129 T HN -0.098 nan 8.240 nan 0.000 0.499 130 S N 1.443 117.179 115.700 0.059 0.000 2.564 130 S HA 0.276 4.746 4.470 -0.001 0.000 0.278 130 S C -0.512 174.170 174.600 0.136 0.000 1.333 130 S CA -0.986 57.277 58.200 0.106 0.000 1.048 130 S CB 0.129 63.386 63.200 0.095 0.000 0.900 130 S HN 0.584 nan 8.310 nan 0.000 0.505 131 W N 3.103 124.410 121.300 0.011 0.000 2.264 131 W HA 0.173 4.832 4.660 -0.001 0.000 0.331 131 W C 0.200 176.732 176.519 0.021 0.000 1.364 131 W CA 0.607 57.957 57.345 0.010 0.000 1.253 131 W CB 0.337 29.803 29.460 0.010 0.000 1.215 131 W HN 0.403 nan 8.180 nan 0.000 0.561 132 Q N 3.395 122.835 119.800 -0.599 0.000 2.482 132 Q HA 0.535 4.874 4.340 -0.001 0.000 0.286 132 Q C -0.969 174.542 176.000 -0.816 0.000 1.007 132 Q CA -0.792 54.724 55.803 -0.479 0.000 0.801 132 Q CB 1.908 30.534 28.738 -0.187 0.000 1.455 132 Q HN 0.570 nan 8.270 nan 0.000 0.398 133 A N 0.619 123.186 122.820 -0.420 0.000 2.316 133 A HA 0.507 4.826 4.320 -0.001 0.000 0.284 133 A C 0.552 177.963 177.584 -0.289 0.000 1.115 133 A CA -0.048 51.800 52.037 -0.314 0.000 0.812 133 A CB 0.534 19.643 19.000 0.182 0.000 1.064 133 A HN 0.665 nan 8.150 nan 0.000 0.489 134 S N -0.388 115.161 115.700 -0.252 0.000 2.524 134 S HA 0.120 4.589 4.470 -0.001 0.000 0.216 134 S C 0.808 175.292 174.600 -0.194 0.000 0.987 134 S CA 0.814 58.888 58.200 -0.210 0.000 0.909 134 S CB -0.124 62.975 63.200 -0.168 0.000 0.781 134 S HN 1.092 nan 8.310 nan 0.000 0.521 135 T N -1.478 112.994 114.554 -0.138 0.000 2.865 135 T HA 0.633 4.982 4.350 -0.001 0.000 0.294 135 T C -0.885 173.745 174.700 -0.116 0.000 1.119 135 T CA -0.729 61.300 62.100 -0.118 0.000 1.007 135 T CB 0.725 69.628 68.868 0.059 0.000 1.225 135 T HN -0.094 nan 8.240 nan 0.000 0.515 136 F N 3.027 123.051 119.950 0.123 0.000 2.605 136 F HA 0.380 4.906 4.527 -0.001 0.000 0.352 136 F C 0.418 176.258 175.800 0.066 0.000 1.236 136 F CA -1.905 56.127 58.000 0.053 0.000 1.267 136 F CB -1.021 37.985 39.000 0.011 0.000 1.632 136 F HN 0.553 nan 8.300 nan 0.000 0.639 137 F N -0.904 119.144 119.950 0.163 0.000 2.399 137 F HA 0.549 5.076 4.527 -0.001 0.000 0.313 137 F C -0.005 175.867 175.800 0.120 0.000 1.202 137 F CA -1.637 56.438 58.000 0.125 0.000 1.192 137 F CB -0.209 38.855 39.000 0.106 0.000 1.256 137 F HN -0.184 nan 8.300 nan 0.000 0.558 138 V N 2.808 122.839 119.914 0.195 0.000 2.421 138 V HA 0.266 4.385 4.120 -0.001 0.000 0.271 138 V C 0.131 176.238 176.094 0.021 0.000 1.031 138 V CA 0.003 62.347 62.300 0.074 0.000 1.032 138 V CB -0.739 31.153 31.823 0.115 0.000 1.009 138 V HN 0.704 nan 8.190 nan 0.000 0.477 139 R N 3.950 124.368 120.500 -0.137 0.000 2.744 139 R HA 0.465 4.804 4.340 -0.001 0.000 0.279 139 R C 0.091 176.346 176.300 -0.074 0.000 0.977 139 R CA -0.898 55.094 56.100 -0.180 0.000 0.906 139 R CB 1.382 31.445 30.300 -0.395 0.000 1.197 139 R HN 0.698 nan 8.270 nan 0.000 0.463 140 N N 0.842 119.523 118.700 -0.031 0.000 2.735 140 N HA -0.188 4.551 4.740 -0.001 0.000 0.248 140 N C 0.475 175.974 175.510 -0.017 0.000 1.083 140 N CA 1.503 54.540 53.050 -0.022 0.000 0.703 140 N CB -1.192 37.275 38.487 -0.033 0.000 1.005 140 N HN 1.095 nan 8.380 nan 0.000 0.550 141 G N -1.616 107.180 108.800 -0.007 0.000 2.148 141 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.254 141 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.254 141 G C 0.311 175.207 174.900 -0.008 0.000 0.981 141 G CA 0.935 46.033 45.100 -0.003 0.000 0.670 141 G HN 1.325 nan 8.290 nan 0.000 0.528 142 S N -0.593 115.097 115.700 -0.018 0.000 2.584 142 S HA 0.440 4.909 4.470 -0.001 0.000 0.270 142 S C 0.165 174.754 174.600 -0.017 0.000 1.346 142 S CA 0.071 58.257 58.200 -0.024 0.000 1.018 142 S CB 1.726 64.905 63.200 -0.036 0.000 0.899 142 S HN 0.633 nan 8.310 nan 0.000 0.542 143 N N 2.136 120.818 118.700 -0.030 0.000 2.546 143 N HA 0.353 5.092 4.740 -0.001 0.000 0.238 143 N C -1.638 173.854 175.510 -0.030 0.000 0.984 143 N CA -2.541 50.483 53.050 -0.043 0.000 0.935 143 N CB 1.238 39.672 38.487 -0.089 0.000 1.122 143 N HN 0.375 nan 8.380 nan 0.000 0.510 144 P HA -0.053 nan 4.420 nan 0.000 0.230 144 P C 0.322 177.640 177.300 0.030 0.000 1.158 144 P CA 0.817 63.931 63.100 0.023 0.000 0.769 144 P CB 0.592 32.322 31.700 0.050 0.000 0.807 145 E N -0.132 120.071 120.200 0.005 0.000 2.274 145 E HA -0.101 4.248 4.350 -0.001 0.000 0.194 145 E C 0.931 177.529 176.600 -0.004 0.000 0.996 145 E CA 0.637 57.056 56.400 0.030 0.000 0.840 145 E CB -0.166 29.479 29.700 -0.093 0.000 0.772 145 E HN 0.314 nan 8.360 nan 0.000 0.491 146 Q N 2.199 121.964 119.800 -0.058 0.000 2.314 146 Q HA 0.035 4.374 4.340 -0.001 0.000 0.257 146 Q C -0.872 175.131 176.000 0.005 0.000 0.975 146 Q CA -0.214 55.554 55.803 -0.058 0.000 0.933 146 Q CB 0.788 29.480 28.738 -0.076 0.000 1.195 146 Q HN -0.194 nan 8.270 nan 0.000 0.426 147 D N 5.998 126.422 120.400 0.039 0.000 2.358 147 D HA 0.065 4.704 4.640 -0.001 0.000 0.258 147 D C -1.710 174.604 176.300 0.024 0.000 1.223 147 D CA -1.892 52.133 54.000 0.041 0.000 0.886 147 D CB 1.287 42.125 40.800 0.065 0.000 1.120 147 D HN 0.423 nan 8.370 nan 0.000 0.482 148 P HA -0.076 nan 4.420 nan 0.000 0.222 148 P C 1.286 178.586 177.300 0.000 0.000 1.147 148 P CA 0.689 63.785 63.100 -0.006 0.000 0.790 148 P CB 0.358 32.042 31.700 -0.025 0.000 0.780 149 L N -1.238 119.989 121.223 0.008 0.000 2.607 149 L HA 0.167 4.506 4.340 -0.001 0.000 0.228 149 L C 1.450 178.333 176.870 0.021 0.000 1.123 149 L CA 0.267 55.113 54.840 0.010 0.000 0.890 149 L CB -0.137 41.924 42.059 0.004 0.000 1.103 149 L HN -0.158 nan 8.230 nan 0.000 0.468 150 R N -0.200 120.322 120.500 0.037 0.000 2.776 150 R HA 0.211 4.550 4.340 -0.001 0.000 0.391 150 R C -0.370 175.986 176.300 0.093 0.000 1.116 150 R CA -0.282 55.853 56.100 0.058 0.000 1.056 150 R CB 0.265 30.603 30.300 0.063 0.000 1.369 150 R HN 0.041 nan 8.270 nan 0.000 0.590 151 N N 0.634 119.365 118.700 0.052 0.000 2.485 151 N HA 0.365 5.104 4.740 -0.001 0.000 0.280 151 N C -0.715 174.709 175.510 -0.143 0.000 1.205 151 N CA -0.611 52.452 53.050 0.022 0.000 0.959 151 N CB 1.136 39.632 38.487 0.015 0.000 1.206 151 N HN 0.092 nan 8.380 nan 0.000 0.545 152 L N 1.953 122.928 121.223 -0.414 0.000 2.417 152 L HA 0.227 4.566 4.340 -0.001 0.000 0.258 152 L C 1.382 178.056 176.870 -0.327 0.000 1.088 152 L CA -0.305 54.170 54.840 -0.608 0.000 0.975 152 L CB 0.551 41.870 42.059 -1.233 0.000 1.341 152 L HN 0.632 nan 8.230 nan 0.000 0.431 153 S N -0.199 115.408 115.700 -0.155 0.000 2.447 153 S HA -0.096 4.373 4.470 -0.001 0.000 0.233 153 S C 1.744 176.300 174.600 -0.073 0.000 1.006 153 S CA 0.871 59.027 58.200 -0.073 0.000 0.957 153 S CB -0.105 63.067 63.200 -0.046 0.000 0.773 153 S HN 0.647 nan 8.310 nan 0.000 0.507 154 G N 0.314 109.052 108.800 -0.104 0.000 2.777 154 G HA2 0.099 4.058 3.960 -0.001 0.000 0.211 154 G HA3 0.099 4.058 3.960 -0.001 0.000 0.211 154 G C 0.557 175.408 174.900 -0.080 0.000 1.149 154 G CA -0.305 44.747 45.100 -0.081 0.000 0.785 154 G HN 0.360 nan 8.290 nan 0.000 0.536 155 Q N 0.694 120.419 119.800 -0.125 0.000 2.300 155 Q HA 0.497 4.836 4.340 -0.001 0.000 0.280 155 Q C -0.158 175.853 176.000 0.019 0.000 1.033 155 Q CA 0.246 56.004 55.803 -0.076 0.000 0.903 155 Q CB 1.368 30.026 28.738 -0.133 0.000 1.195 155 Q HN 0.283 nan 8.270 nan 0.000 0.386 156 A N 2.177 125.015 122.820 0.029 0.000 2.587 156 A HA 0.744 5.063 4.320 -0.001 0.000 0.293 156 A C -0.959 176.659 177.584 0.057 0.000 1.087 156 A CA -0.597 51.466 52.037 0.044 0.000 0.692 156 A CB 1.444 20.458 19.000 0.024 0.000 1.291 156 A HN 0.472 nan 8.150 nan 0.000 0.407 157 V N -1.786 118.174 119.914 0.077 0.000 2.914 157 V HA 0.933 5.052 4.120 -0.001 0.000 0.314 157 V C -0.387 175.770 176.094 0.105 0.000 1.084 157 V CA -0.507 61.856 62.300 0.104 0.000 0.963 157 V CB 1.578 33.499 31.823 0.165 0.000 1.025 157 V HN 0.857 nan 8.190 nan 0.000 0.432 158 T N 2.984 117.597 114.554 0.098 0.000 2.807 158 T HA 0.615 4.964 4.350 -0.001 0.000 0.279 158 T C -0.312 174.426 174.700 0.063 0.000 0.993 158 T CA -0.479 61.662 62.100 0.068 0.000 0.970 158 T CB 1.177 70.073 68.868 0.047 0.000 0.950 158 T HN 0.773 nan 8.240 nan 0.000 0.441 159 R N 2.392 122.918 120.500 0.044 0.000 2.402 159 R HA 0.598 4.937 4.340 -0.001 0.000 0.290 159 R C -0.918 175.393 176.300 0.019 0.000 1.321 159 R CA -0.585 55.520 56.100 0.009 0.000 1.283 159 R CB 0.927 31.208 30.300 -0.032 0.000 1.111 159 R HN 0.527 nan 8.270 nan 0.000 0.578 160 V N -1.737 118.188 119.914 0.019 0.000 3.120 160 V HA 0.430 4.550 4.120 -0.001 0.000 0.303 160 V C -0.121 175.989 176.094 0.026 0.000 1.238 160 V CA -1.153 61.162 62.300 0.026 0.000 1.008 160 V CB 1.938 33.778 31.823 0.029 0.000 1.064 160 V HN 0.133 nan 8.190 nan 0.000 0.434 161 V N 3.591 123.524 119.914 0.032 0.000 2.540 161 V HA 0.491 4.610 4.120 -0.001 0.000 0.297 161 V C 1.736 177.852 176.094 0.038 0.000 1.024 161 V CA 1.986 64.308 62.300 0.036 0.000 1.105 161 V CB 0.019 31.866 31.823 0.039 0.000 0.938 161 V HN 2.122 nan 8.190 nan 0.000 0.482 162 G N 3.276 112.098 108.800 0.036 0.000 2.213 162 G HA2 0.021 3.980 3.960 -0.001 0.000 0.236 162 G HA3 0.021 3.980 3.960 -0.001 0.000 0.236 162 G C 0.991 175.890 174.900 -0.001 0.000 0.991 162 G CA 0.238 45.354 45.100 0.026 0.000 0.629 162 G HN 2.157 nan 8.290 nan 0.000 0.517 163 G N 0.013 108.818 108.800 0.007 0.000 2.574 163 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.282 163 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.282 163 G C 1.123 176.017 174.900 -0.010 0.000 1.257 163 G CA 1.036 46.138 45.100 0.003 0.000 0.956 163 G HN 1.086 nan 8.290 nan 0.000 0.560 164 M N 1.459 121.051 119.600 -0.014 0.000 2.549 164 M HA -0.023 4.456 4.480 -0.001 0.000 0.260 164 M C 2.679 178.950 176.300 -0.050 0.000 1.076 164 M CA 1.809 57.109 55.300 0.001 0.000 1.090 164 M CB -0.255 32.370 32.600 0.041 0.000 1.418 164 M HN 0.750 nan 8.290 nan 0.000 0.486 165 S N -0.630 114.949 115.700 -0.201 0.000 2.561 165 S HA -0.060 4.409 4.470 -0.001 0.000 0.225 165 S C 1.701 176.255 174.600 -0.077 0.000 0.977 165 S CA 1.085 59.026 58.200 -0.433 0.000 0.926 165 S CB -0.881 62.019 63.200 -0.500 0.000 0.769 165 S HN 0.575 nan 8.310 nan 0.000 0.533 166 T N -2.359 112.154 114.554 -0.069 0.000 3.085 166 T HA 0.444 4.793 4.350 -0.001 0.000 0.263 166 T C 1.281 175.825 174.700 -0.260 0.000 1.127 166 T CA 0.573 62.606 62.100 -0.112 0.000 1.103 166 T CB -0.058 68.809 68.868 -0.002 0.000 0.921 166 T HN 0.580 nan 8.240 nan 0.000 0.510 167 A N -0.012 122.756 122.820 -0.087 0.000 2.606 167 A HA 0.421 4.740 4.320 -0.001 0.000 0.230 167 A C 0.642 178.452 177.584 0.377 0.000 1.279 167 A CA -0.691 51.454 52.037 0.180 0.000 1.010 167 A CB -0.098 18.974 19.000 0.119 0.000 1.271 167 A HN 0.634 nan 8.150 nan 0.000 0.584 168 W N 0.081 121.416 121.300 0.059 0.000 2.034 168 W HA 0.411 5.071 4.660 -0.001 0.000 0.357 168 W C -0.004 176.610 176.519 0.157 0.000 1.326 168 W CA 0.697 58.120 57.345 0.130 0.000 1.318 168 W CB -0.761 28.759 29.460 0.099 0.000 1.193 168 W HN -0.051 nan 8.180 nan 0.000 0.620 169 T N 0.890 115.398 114.554 -0.077 0.000 3.081 169 T HA 0.018 4.367 4.350 -0.001 0.000 0.255 169 T C 1.002 175.289 174.700 -0.688 0.000 1.113 169 T CA 1.034 62.924 62.100 -0.350 0.000 1.082 169 T CB -0.529 68.291 68.868 -0.079 0.000 0.939 169 T HN 0.659 nan 8.240 nan 0.000 0.506 170 C N 0.967 119.477 119.300 -1.317 0.000 4.617 170 C HA -0.114 4.345 4.460 -0.001 0.000 0.260 170 C C 1.116 175.651 174.990 -0.759 0.000 1.288 170 C CA -0.756 57.281 59.018 -1.634 0.000 1.668 170 C CB -2.709 24.545 27.740 -0.809 0.000 1.518 170 C HN 0.754 nan 8.230 nan 0.000 0.708 171 A N 1.166 123.726 122.820 -0.433 0.000 2.404 171 A HA 0.567 4.887 4.320 -0.001 0.000 0.273 171 A C 0.762 178.273 177.584 -0.122 0.000 1.144 171 A CA 1.088 53.022 52.037 -0.171 0.000 0.806 171 A CB 0.179 19.148 19.000 -0.052 0.000 1.080 171 A HN 1.394 nan 8.150 nan 0.000 0.509 172 T N 1.616 116.114 114.554 -0.092 0.000 3.504 172 T HA 0.518 4.867 4.350 -0.001 0.000 0.286 172 T C -2.716 171.943 174.700 -0.068 0.000 1.530 172 T CA -1.520 60.558 62.100 -0.037 0.000 1.652 172 T CB 0.593 69.470 68.868 0.015 0.000 0.895 172 T HN 0.441 nan 8.240 nan 0.000 0.674 173 P HA 0.386 nan 4.420 nan 0.000 0.277 173 P C -0.184 176.974 177.300 -0.235 0.000 1.240 173 P CA -0.645 62.359 63.100 -0.160 0.000 0.798 173 P CB 1.147 32.722 31.700 -0.210 0.000 0.979 174 R N 0.819 121.098 120.500 -0.368 0.000 2.582 174 R HA 0.371 4.710 4.340 -0.001 0.000 0.271 174 R C 0.046 176.222 176.300 -0.207 0.000 1.078 174 R CA -0.406 55.280 56.100 -0.689 0.000 1.127 174 R CB 0.137 29.896 30.300 -0.902 0.000 1.038 174 R HN 0.373 nan 8.270 nan 0.000 0.500 175 F N 2.138 121.858 119.950 -0.383 0.000 2.412 175 F HA 0.039 4.565 4.527 -0.001 0.000 0.348 175 F C 0.969 176.589 175.800 -0.301 0.000 1.102 175 F CA -1.450 56.355 58.000 -0.326 0.000 1.196 175 F CB 0.264 39.062 39.000 -0.337 0.000 1.144 175 F HN 0.540 nan 8.300 nan 0.000 0.541 176 D N 2.768 123.098 120.400 -0.117 0.000 2.398 176 D HA 0.104 4.743 4.640 -0.001 0.000 0.247 176 D C 1.079 177.295 176.300 -0.141 0.000 1.227 176 D CA -0.399 53.532 54.000 -0.114 0.000 0.980 176 D CB 0.560 41.309 40.800 -0.086 0.000 1.106 176 D HN 0.484 nan 8.370 nan 0.000 0.493 177 R N -0.040 120.402 120.500 -0.096 0.000 2.103 177 R HA -0.190 4.149 4.340 -0.001 0.000 0.242 177 R C 1.985 178.227 176.300 -0.096 0.000 1.142 177 R CA 2.014 58.061 56.100 -0.088 0.000 0.960 177 R CB -0.341 29.942 30.300 -0.028 0.000 0.858 177 R HN 0.645 nan 8.270 nan 0.000 0.439 178 E N 0.447 120.591 120.200 -0.093 0.000 2.204 178 E HA -0.215 4.135 4.350 -0.001 0.000 0.195 178 E C 1.655 178.151 176.600 -0.174 0.000 0.990 178 E CA 0.992 57.345 56.400 -0.079 0.000 0.821 178 E CB -0.027 29.674 29.700 0.001 0.000 0.750 178 E HN 0.471 nan 8.360 nan 0.000 0.477 179 Q N 0.015 119.618 119.800 -0.329 0.000 2.356 179 Q HA 0.126 4.465 4.340 -0.001 0.000 0.205 179 Q C 0.444 176.324 176.000 -0.200 0.000 0.901 179 Q CA -0.115 55.423 55.803 -0.442 0.000 0.938 179 Q CB 0.550 28.726 28.738 -0.937 0.000 1.081 179 Q HN -0.001 nan 8.270 nan 0.000 0.517 180 R N 2.135 122.558 120.500 -0.127 0.000 2.393 180 R HA 0.306 4.645 4.340 -0.001 0.000 0.310 180 R C -2.557 173.699 176.300 -0.075 0.000 0.968 180 R CA -2.069 53.945 56.100 -0.143 0.000 0.867 180 R CB 1.087 31.127 30.300 -0.434 0.000 1.124 180 R HN -0.114 nan 8.270 nan 0.000 0.450 181 P HA 0.071 nan 4.420 nan 0.000 0.274 181 P C -0.582 176.873 177.300 0.257 0.000 1.231 181 P CA -0.208 62.965 63.100 0.121 0.000 0.790 181 P CB 0.812 32.595 31.700 0.137 0.000 0.951 182 L N 2.327 123.672 121.223 0.202 0.000 2.380 182 L HA 0.162 4.501 4.340 -0.001 0.000 0.273 182 L C 1.720 178.737 176.870 0.244 0.000 1.138 182 L CA -0.201 54.828 54.840 0.314 0.000 0.832 182 L CB 0.238 42.532 42.059 0.391 0.000 1.124 182 L HN 0.365 nan 8.230 nan 0.000 0.454 183 L N 3.224 124.635 121.223 0.314 0.000 2.575 183 L HA 0.222 4.561 4.340 -0.001 0.000 0.228 183 L C -0.212 176.831 176.870 0.288 0.000 1.075 183 L CA 0.196 55.114 54.840 0.129 0.000 0.867 183 L CB 0.785 42.709 42.059 -0.226 0.000 1.097 183 L HN 0.319 nan 8.230 nan 0.000 0.485 184 V N 1.298 121.389 119.914 0.295 0.000 2.531 184 V HA 0.228 4.347 4.120 -0.001 0.000 0.301 184 V C -0.391 175.798 176.094 0.159 0.000 1.034 184 V CA -0.964 61.447 62.300 0.184 0.000 0.865 184 V CB 1.778 33.657 31.823 0.095 0.000 0.995 184 V HN 0.189 nan 8.190 nan 0.000 0.424 185 K N 2.459 122.831 120.400 -0.047 0.000 2.143 185 K HA 0.494 4.813 4.320 -0.001 0.000 0.272 185 K C -0.447 176.118 176.600 -0.057 0.000 1.001 185 K CA -0.469 55.744 56.287 -0.123 0.000 0.915 185 K CB 0.879 33.095 32.500 -0.473 0.000 1.047 185 K HN 0.604 nan 8.250 nan 0.000 0.458 186 D N 0.783 121.176 120.400 -0.013 0.000 2.870 186 D HA -0.157 4.483 4.640 -0.001 0.000 0.228 186 D C -0.840 175.466 176.300 0.011 0.000 1.147 186 D CA 1.388 55.385 54.000 -0.004 0.000 0.757 186 D CB -0.909 39.874 40.800 -0.028 0.000 1.091 186 D HN 0.819 nan 8.370 nan 0.000 0.429 187 D N -1.349 119.070 120.400 0.033 0.000 2.826 187 D HA 0.396 5.036 4.640 -0.001 0.000 0.239 187 D C 1.002 177.339 176.300 0.062 0.000 1.329 187 D CA 0.250 54.273 54.000 0.038 0.000 0.854 187 D CB 0.260 41.077 40.800 0.027 0.000 1.494 187 D HN 0.014 nan 8.370 nan 0.000 0.540 188 A N 1.741 124.599 122.820 0.064 0.000 1.948 188 A HA -0.205 4.114 4.320 -0.001 0.000 0.220 188 A C 1.671 179.305 177.584 0.083 0.000 1.177 188 A CA 1.652 53.736 52.037 0.080 0.000 0.636 188 A CB -0.060 18.979 19.000 0.063 0.000 0.815 188 A HN 0.412 nan 8.150 nan 0.000 0.449 189 D N -0.147 120.291 120.400 0.063 0.000 2.117 189 D HA 0.003 4.642 4.640 -0.001 0.000 0.198 189 D C 2.248 178.587 176.300 0.066 0.000 0.982 189 D CA 1.506 55.542 54.000 0.060 0.000 0.828 189 D CB -0.455 40.371 40.800 0.043 0.000 0.967 189 D HN 0.427 nan 8.370 nan 0.000 0.464 190 A N 0.670 123.525 122.820 0.058 0.000 1.902 190 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 190 A C 1.959 179.587 177.584 0.073 0.000 1.181 190 A CA 2.001 54.069 52.037 0.051 0.000 0.623 190 A CB -0.673 18.350 19.000 0.037 0.000 0.818 190 A HN 0.190 nan 8.150 nan 0.000 0.443 191 D N -0.199 120.267 120.400 0.111 0.000 2.097 191 D HA -0.166 4.473 4.640 -0.001 0.000 0.195 191 D C 1.305 177.763 176.300 0.263 0.000 0.989 191 D CA 1.622 55.734 54.000 0.187 0.000 0.827 191 D CB -0.157 40.783 40.800 0.233 0.000 0.966 191 D HN 0.348 nan 8.370 nan 0.000 0.456 192 D N -0.205 120.321 120.400 0.210 0.000 2.116 192 D HA -0.160 4.479 4.640 -0.001 0.000 0.193 192 D C 1.985 178.395 176.300 0.185 0.000 0.998 192 D CA 1.628 55.752 54.000 0.207 0.000 0.836 192 D CB -0.636 40.242 40.800 0.129 0.000 0.951 192 D HN 0.335 nan 8.370 nan 0.000 0.449 193 A N 0.493 123.381 122.820 0.113 0.000 1.933 193 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 193 A C 2.136 179.747 177.584 0.046 0.000 1.175 193 A CA 1.934 54.015 52.037 0.073 0.000 0.628 193 A CB -0.509 18.516 19.000 0.042 0.000 0.814 193 A HN 0.209 nan 8.150 nan 0.000 0.444 194 E N -0.883 119.324 120.200 0.012 0.000 2.047 194 E HA -0.194 4.156 4.350 -0.001 0.000 0.191 194 E C 1.683 178.188 176.600 -0.158 0.000 0.987 194 E CA 1.503 57.839 56.400 -0.108 0.000 0.799 194 E CB -0.480 29.109 29.700 -0.185 0.000 0.752 194 E HN 0.704 nan 8.360 nan 0.000 0.449 195 W N 0.901 122.164 121.300 -0.062 0.000 2.338 195 W HA -0.156 4.503 4.660 -0.001 0.000 0.304 195 W C 2.206 178.713 176.519 -0.019 0.000 1.212 195 W CA 1.346 58.619 57.345 -0.121 0.000 1.264 195 W CB -0.459 28.975 29.460 -0.044 0.000 1.142 195 W HN 0.260 nan 8.180 nan 0.000 0.512 196 D N -0.055 120.509 120.400 0.274 0.000 2.123 196 D HA -0.223 4.416 4.640 -0.001 0.000 0.196 196 D C 2.150 178.521 176.300 0.118 0.000 0.992 196 D CA 1.597 55.725 54.000 0.213 0.000 0.833 196 D CB -0.258 40.627 40.800 0.141 0.000 0.954 196 D HN -0.006 nan 8.370 nan 0.000 0.455 197 R N -0.304 120.217 120.500 0.034 0.000 2.073 197 R HA -0.081 4.259 4.340 -0.001 0.000 0.234 197 R C 2.471 178.728 176.300 -0.071 0.000 1.134 197 R CA 1.077 57.162 56.100 -0.025 0.000 0.952 197 R CB -0.299 29.966 30.300 -0.057 0.000 0.850 197 R HN 0.258 nan 8.270 nan 0.000 0.433 198 L N -0.500 120.645 121.223 -0.131 0.000 2.027 198 L HA -0.178 4.161 4.340 -0.001 0.000 0.206 198 L C 2.367 179.165 176.870 -0.120 0.000 1.074 198 L CA 1.196 55.904 54.840 -0.221 0.000 0.745 198 L CB -0.647 41.166 42.059 -0.411 0.000 0.898 198 L HN 0.195 nan 8.230 nan 0.000 0.433 199 Y N 0.411 120.711 120.300 -0.000 0.000 2.207 199 Y HA -0.248 4.301 4.550 -0.001 0.000 0.287 199 Y C 2.880 178.760 175.900 -0.034 0.000 1.156 199 Y CA 1.599 59.708 58.100 0.016 0.000 1.182 199 Y CB -1.140 37.363 38.460 0.072 0.000 0.979 199 Y HN 0.146 nan 8.280 nan 0.000 0.521 200 T N -0.435 114.189 114.554 0.117 0.000 2.746 200 T HA -0.196 4.153 4.350 -0.001 0.000 0.267 200 T C 1.987 176.655 174.700 -0.053 0.000 1.039 200 T CA 1.594 63.716 62.100 0.037 0.000 1.142 200 T CB -0.162 68.720 68.868 0.023 0.000 0.866 200 T HN 0.223 nan 8.240 nan 0.000 0.444 201 K N 0.808 121.117 120.400 -0.152 0.000 2.057 201 K HA -0.008 4.311 4.320 -0.001 0.000 0.207 201 K C 2.499 178.774 176.600 -0.541 0.000 1.049 201 K CA 1.127 57.195 56.287 -0.366 0.000 0.931 201 K CB -0.266 31.968 32.500 -0.443 0.000 0.714 201 K HN 0.275 nan 8.250 nan 0.000 0.440 202 A N 1.226 123.843 122.820 -0.339 0.000 1.902 202 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 202 A C 1.803 179.397 177.584 0.016 0.000 1.181 202 A CA 1.687 53.594 52.037 -0.216 0.000 0.623 202 A CB -0.453 18.532 19.000 -0.026 0.000 0.818 202 A HN 0.434 nan 8.150 nan 0.000 0.443 203 E N 0.184 120.430 120.200 0.078 0.000 2.110 203 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 203 E C 2.367 179.053 176.600 0.143 0.000 0.988 203 E CA 1.455 57.946 56.400 0.151 0.000 0.804 203 E CB -0.181 29.579 29.700 0.100 0.000 0.745 203 E HN 0.813 nan 8.360 nan 0.000 0.458 204 S N 0.147 115.883 115.700 0.059 0.000 2.368 204 S HA -0.178 4.292 4.470 -0.001 0.000 0.224 204 S C 1.944 176.690 174.600 0.244 0.000 1.029 204 S CA 0.731 58.995 58.200 0.107 0.000 0.988 204 S CB -0.452 62.778 63.200 0.050 0.000 0.838 204 S HN 0.206 nan 8.310 nan 0.000 0.462 205 Y N 0.564 120.879 120.300 0.025 0.000 2.224 205 Y HA 0.121 4.671 4.550 -0.001 0.000 0.289 205 Y C 2.046 177.980 175.900 0.058 0.000 1.146 205 Y CA -0.064 58.019 58.100 -0.029 0.000 1.182 205 Y CB -1.086 37.273 38.460 -0.168 0.000 0.983 205 Y HN 0.310 nan 8.280 nan 0.000 0.524 206 F N 0.191 120.299 119.950 0.264 0.000 2.789 206 F HA 0.051 4.577 4.527 -0.001 0.000 0.300 206 F C 0.821 176.739 175.800 0.197 0.000 1.132 206 F CA 0.090 58.239 58.000 0.248 0.000 1.404 206 F CB -0.303 38.864 39.000 0.278 0.000 1.114 206 F HN -0.015 nan 8.300 nan 0.000 0.584 207 Q N 0.513 120.510 119.800 0.329 0.000 2.468 207 Q HA -0.195 4.145 4.340 -0.001 0.000 0.289 207 Q C 0.088 176.182 176.000 0.156 0.000 1.299 207 Q CA 0.784 56.705 55.803 0.196 0.000 0.838 207 Q CB -2.679 26.152 28.738 0.155 0.000 1.195 207 Q HN 0.223 nan 8.270 nan 0.000 0.456 208 T N -0.065 114.597 114.554 0.180 0.000 2.928 208 T HA 0.427 4.776 4.350 -0.001 0.000 0.305 208 T C 0.812 175.548 174.700 0.061 0.000 1.035 208 T CA 0.600 62.767 62.100 0.111 0.000 1.145 208 T CB 1.270 70.212 68.868 0.123 0.000 0.963 208 T HN 0.503 nan 8.240 nan 0.000 0.545 209 G N 0.590 109.409 108.800 0.031 0.000 2.682 209 G HA2 0.554 4.513 3.960 -0.001 0.000 0.290 209 G HA3 0.554 4.513 3.960 -0.001 0.000 0.290 209 G C 0.009 174.920 174.900 0.018 0.000 1.425 209 G CA -0.484 44.625 45.100 0.015 0.000 0.807 209 G HN 0.642 nan 8.290 nan 0.000 0.482 210 T N -2.406 112.159 114.554 0.018 0.000 3.339 210 T HA 0.286 4.635 4.350 -0.001 0.000 0.292 210 T C 0.014 174.730 174.700 0.028 0.000 1.012 210 T CA 0.490 62.610 62.100 0.034 0.000 0.937 210 T CB 0.345 69.238 68.868 0.042 0.000 1.164 210 T HN 0.503 nan 8.240 nan 0.000 0.509 211 D N 0.146 120.542 120.400 -0.007 0.000 2.520 211 D HA 0.073 4.712 4.640 -0.001 0.000 0.223 211 D C 1.235 177.467 176.300 -0.113 0.000 1.186 211 D CA -0.115 53.859 54.000 -0.042 0.000 0.821 211 D CB -0.057 40.713 40.800 -0.050 0.000 1.072 211 D HN 0.269 nan 8.370 nan 0.000 0.518 212 Q N -0.416 119.314 119.800 -0.118 0.000 2.369 212 Q HA 0.168 4.507 4.340 -0.001 0.000 0.206 212 Q C 0.249 175.859 176.000 -0.649 0.000 0.963 212 Q CA 0.886 56.484 55.803 -0.343 0.000 0.894 212 Q CB -0.236 28.275 28.738 -0.378 0.000 0.965 212 Q HN 0.284 nan 8.270 nan 0.000 0.475 213 F N -0.185 119.598 119.950 -0.278 0.000 2.735 213 F HA 0.238 4.764 4.527 -0.001 0.000 0.308 213 F C 1.238 176.829 175.800 -0.348 0.000 1.112 213 F CA -0.604 57.188 58.000 -0.348 0.000 1.235 213 F CB 0.350 39.064 39.000 -0.478 0.000 1.027 213 F HN -0.009 nan 8.300 nan 0.000 0.528 214 K N 0.458 120.762 120.400 -0.160 0.000 2.152 214 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 214 K C 0.719 177.219 176.600 -0.166 0.000 1.048 214 K CA 1.808 58.044 56.287 -0.084 0.000 0.933 214 K CB -0.213 32.223 32.500 -0.106 0.000 0.721 214 K HN 0.325 nan 8.250 nan 0.000 0.447 215 E N 1.523 121.505 120.200 -0.363 0.000 2.499 215 E HA 0.055 4.405 4.350 -0.001 0.000 0.199 215 E C -0.631 175.806 176.600 -0.271 0.000 1.016 215 E CA -0.339 55.605 56.400 -0.760 0.000 0.933 215 E CB 0.924 30.035 29.700 -0.981 0.000 1.050 215 E HN 0.233 nan 8.360 nan 0.000 0.462 216 S N 0.697 116.385 115.700 -0.020 0.000 2.531 216 S HA 0.131 4.600 4.470 -0.001 0.000 0.279 216 S C 1.238 175.924 174.600 0.144 0.000 1.305 216 S CA -0.399 57.857 58.200 0.092 0.000 1.058 216 S CB 0.454 63.760 63.200 0.176 0.000 0.899 216 S HN 0.203 nan 8.310 nan 0.000 0.493 217 I N 4.904 125.433 120.570 -0.068 0.000 2.179 217 I HA -0.163 4.006 4.170 -0.001 0.000 0.242 217 I C 2.728 178.649 176.117 -0.328 0.000 1.088 217 I CA 1.194 62.192 61.300 -0.502 0.000 1.357 217 I CB -0.229 37.240 38.000 -0.886 0.000 1.051 217 I HN 0.701 nan 8.210 nan 0.000 0.409 218 R N -0.509 119.900 120.500 -0.151 0.000 2.081 218 R HA -0.225 4.114 4.340 -0.001 0.000 0.235 218 R C 2.358 178.680 176.300 0.037 0.000 1.131 218 R CA 1.704 57.770 56.100 -0.058 0.000 0.960 218 R CB -0.645 29.636 30.300 -0.031 0.000 0.856 218 R HN 0.434 nan 8.270 nan 0.000 0.436 219 H N 1.175 120.256 119.070 0.018 0.000 2.293 219 H HA -0.041 4.514 4.556 -0.001 0.000 0.300 219 H C 1.786 177.183 175.328 0.114 0.000 1.082 219 H CA 1.899 57.984 56.048 0.062 0.000 1.308 219 H CB -0.093 29.734 29.762 0.109 0.000 1.375 219 H HN 0.120 nan 8.280 nan 0.000 0.495 220 N N 0.079 118.879 118.700 0.166 0.000 2.244 220 N HA -0.125 4.614 4.740 -0.001 0.000 0.183 220 N C 2.031 177.687 175.510 0.243 0.000 1.016 220 N CA 0.979 54.170 53.050 0.235 0.000 0.866 220 N CB -0.189 38.652 38.487 0.590 0.000 0.980 220 N HN 0.302 nan 8.380 nan 0.000 0.430 221 L N 1.401 122.776 121.223 0.254 0.000 2.012 221 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 221 L C 2.151 179.079 176.870 0.098 0.000 1.073 221 L CA 1.401 56.395 54.840 0.256 0.000 0.748 221 L CB -0.574 41.583 42.059 0.163 0.000 0.891 221 L HN -0.126 nan 8.230 nan 0.000 0.431 222 V N -0.766 119.156 119.914 0.013 0.000 2.270 222 V HA -0.254 3.865 4.120 -0.001 0.000 0.245 222 V C 2.444 178.469 176.094 -0.114 0.000 1.043 222 V CA 1.634 63.908 62.300 -0.044 0.000 1.014 222 V CB -0.735 31.040 31.823 -0.080 0.000 0.645 222 V HN 0.507 nan 8.190 nan 0.000 0.447 223 L N 1.121 122.238 121.223 -0.176 0.000 2.013 223 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 223 L C 2.207 179.015 176.870 -0.105 0.000 1.073 223 L CA 2.177 56.907 54.840 -0.183 0.000 0.753 223 L CB -0.996 40.907 42.059 -0.260 0.000 0.890 223 L HN 0.335 nan 8.230 nan 0.000 0.432 224 N N -0.259 118.427 118.700 -0.023 0.000 2.142 224 N HA -0.197 4.543 4.740 -0.001 0.000 0.186 224 N C 1.841 177.335 175.510 -0.027 0.000 1.023 224 N CA 1.335 54.389 53.050 0.008 0.000 0.852 224 N CB -0.340 38.182 38.487 0.058 0.000 0.998 224 N HN 0.291 nan 8.380 nan 0.000 0.424 225 K N 1.427 121.810 120.400 -0.028 0.000 2.026 225 K HA 0.054 4.374 4.320 -0.001 0.000 0.208 225 K C 1.940 178.492 176.600 -0.081 0.000 1.048 225 K CA 0.930 57.197 56.287 -0.033 0.000 0.929 225 K CB -0.480 32.021 32.500 0.001 0.000 0.713 225 K HN 0.122 nan 8.250 nan 0.000 0.439 226 L N 0.089 121.187 121.223 -0.207 0.000 2.093 226 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 226 L C 2.233 178.880 176.870 -0.373 0.000 1.085 226 L CA 1.621 56.204 54.840 -0.429 0.000 0.755 226 L CB -0.779 40.640 42.059 -1.067 0.000 0.904 226 L HN 0.255 nan 8.230 nan 0.000 0.435 227 T N -0.715 113.686 114.554 -0.256 0.000 2.684 227 T HA -0.268 4.081 4.350 -0.001 0.000 0.267 227 T C 1.778 176.525 174.700 0.078 0.000 1.036 227 T CA 1.845 63.966 62.100 0.034 0.000 1.148 227 T CB -0.125 68.781 68.868 0.064 0.000 0.863 227 T HN 0.426 nan 8.240 nan 0.000 0.436 228 E N 0.671 120.881 120.200 0.017 0.000 2.047 228 E HA -0.173 4.177 4.350 -0.001 0.000 0.191 228 E C 2.175 178.776 176.600 0.001 0.000 0.987 228 E CA 0.971 57.378 56.400 0.011 0.000 0.799 228 E CB 0.013 29.704 29.700 -0.014 0.000 0.752 228 E HN 0.341 nan 8.360 nan 0.000 0.449 229 E N -0.320 119.868 120.200 -0.019 0.000 2.153 229 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 229 E C 0.818 177.277 176.600 -0.235 0.000 0.988 229 E CA 1.019 57.344 56.400 -0.125 0.000 0.811 229 E CB -0.029 29.580 29.700 -0.150 0.000 0.746 229 E HN 0.496 nan 8.360 nan 0.000 0.466 230 Y N 0.388 120.719 120.300 0.053 0.000 2.720 230 Y HA 0.187 4.736 4.550 -0.001 0.000 0.277 230 Y C 0.540 176.505 175.900 0.108 0.000 1.144 230 Y CA -0.436 57.737 58.100 0.120 0.000 1.221 230 Y CB 0.287 38.917 38.460 0.283 0.000 1.163 230 Y HN -0.243 nan 8.280 nan 0.000 0.537 231 K N 0.588 121.077 120.400 0.148 0.000 2.484 231 K HA 0.208 4.527 4.320 -0.001 0.000 0.280 231 K C 1.314 177.973 176.600 0.098 0.000 1.013 231 K CA 1.289 57.645 56.287 0.115 0.000 1.029 231 K CB -0.007 32.530 32.500 0.061 0.000 0.902 231 K HN 0.590 nan 8.250 nan 0.000 0.481 232 G N 3.017 111.876 108.800 0.099 0.000 2.184 232 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.264 232 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.264 232 G C 0.622 175.576 174.900 0.091 0.000 0.975 232 G CA 0.846 45.992 45.100 0.078 0.000 0.642 232 G HN 0.738 nan 8.290 nan 0.000 0.536 233 Q N -1.310 118.572 119.800 0.135 0.000 2.580 233 Q HA 0.283 4.623 4.340 -0.001 0.000 0.239 233 Q C 1.181 177.269 176.000 0.147 0.000 0.873 233 Q CA 0.251 56.144 55.803 0.150 0.000 0.951 233 Q CB 0.827 29.684 28.738 0.198 0.000 1.172 233 Q HN 0.507 nan 8.270 nan 0.000 0.616 234 R N 0.467 121.068 120.500 0.169 0.000 2.740 234 R HA 0.395 4.734 4.340 -0.001 0.000 0.273 234 R C -1.576 174.749 176.300 0.041 0.000 0.998 234 R CA -0.759 55.350 56.100 0.014 0.000 0.900 234 R CB 1.642 31.745 30.300 -0.329 0.000 1.223 234 R HN -0.042 nan 8.270 nan 0.000 0.466 235 D N 1.432 121.782 120.400 -0.083 0.000 2.168 235 D HA 0.376 5.015 4.640 -0.001 0.000 0.246 235 D C -0.752 175.389 176.300 -0.265 0.000 1.050 235 D CA 0.117 54.098 54.000 -0.032 0.000 0.857 235 D CB 1.191 41.986 40.800 -0.007 0.000 1.169 235 D HN 0.139 nan 8.370 nan 0.000 0.453 236 F N 0.873 120.827 119.950 0.005 0.000 2.522 236 F HA 0.381 4.907 4.527 -0.001 0.000 0.324 236 F C 0.718 176.531 175.800 0.021 0.000 1.077 236 F CA -0.614 57.383 58.000 -0.006 0.000 0.944 236 F CB 1.756 40.745 39.000 -0.019 0.000 1.175 236 F HN 0.219 nan 8.300 nan 0.000 0.468 237 Q N 0.013 119.917 119.800 0.175 0.000 2.814 237 Q HA 0.339 4.679 4.340 -0.001 0.000 0.322 237 Q C -1.589 174.520 176.000 0.182 0.000 0.861 237 Q CA -1.290 54.606 55.803 0.154 0.000 0.773 237 Q CB 1.735 30.532 28.738 0.097 0.000 1.423 237 Q HN 0.613 nan 8.270 nan 0.000 0.495 238 Q N 0.892 120.819 119.800 0.212 0.000 2.332 238 Q HA 0.258 4.597 4.340 -0.001 0.000 0.263 238 Q C -0.552 175.518 176.000 0.116 0.000 0.979 238 Q CA -0.258 55.684 55.803 0.231 0.000 0.885 238 Q CB 0.552 29.390 28.738 0.166 0.000 1.218 238 Q HN 0.567 nan 8.270 nan 0.000 0.405 239 I N 6.639 127.258 120.570 0.081 0.000 2.821 239 I HA -0.071 4.098 4.170 -0.001 0.000 0.294 239 I C -1.978 174.159 176.117 0.034 0.000 1.210 239 I CA -1.270 60.055 61.300 0.040 0.000 1.430 239 I CB 0.161 38.154 38.000 -0.011 0.000 1.356 239 I HN 0.456 nan 8.210 nan 0.000 0.563 240 P HA 0.211 nan 4.420 nan 0.000 0.271 240 P C -0.924 176.374 177.300 -0.003 0.000 1.233 240 P CA 0.152 63.259 63.100 0.011 0.000 0.764 240 P CB 0.415 32.109 31.700 -0.009 0.000 0.825 241 L N 2.487 123.717 121.223 0.012 0.000 2.365 241 L HA 0.618 4.957 4.340 -0.001 0.000 0.273 241 L C 0.412 177.278 176.870 -0.006 0.000 1.000 241 L CA -1.176 53.669 54.840 0.009 0.000 0.819 241 L CB 2.049 44.178 42.059 0.117 0.000 1.284 241 L HN 0.248 nan 8.230 nan 0.000 0.418 242 A N 3.248 126.028 122.820 -0.067 0.000 2.805 242 A HA 0.717 5.037 4.320 -0.001 0.000 0.301 242 A C 0.083 177.693 177.584 0.044 0.000 1.557 242 A CA 0.109 52.150 52.037 0.005 0.000 1.254 242 A CB -0.460 18.484 19.000 -0.093 0.000 1.114 242 A HN 0.776 nan 8.150 nan 0.000 0.553 243 A N 1.824 124.632 122.820 -0.019 0.000 2.594 243 A HA 0.719 5.039 4.320 -0.001 0.000 0.296 243 A C -0.480 176.985 177.584 -0.198 0.000 1.056 243 A CA -0.457 51.458 52.037 -0.204 0.000 0.693 243 A CB 0.821 19.479 19.000 -0.570 0.000 1.278 243 A HN 0.589 nan 8.150 nan 0.000 0.408 244 T N 1.554 115.969 114.554 -0.232 0.000 2.840 244 T HA 0.477 4.826 4.350 -0.001 0.000 0.287 244 T C 0.001 174.557 174.700 -0.239 0.000 0.991 244 T CA -0.419 61.574 62.100 -0.178 0.000 0.964 244 T CB 1.177 69.998 68.868 -0.078 0.000 0.954 244 T HN 0.717 nan 8.240 nan 0.000 0.438 245 R N 2.310 122.653 120.500 -0.263 0.000 2.442 245 R HA 0.220 4.559 4.340 -0.001 0.000 0.291 245 R C 0.799 177.019 176.300 -0.134 0.000 1.069 245 R CA -0.265 55.677 56.100 -0.263 0.000 1.022 245 R CB 0.364 30.473 30.300 -0.318 0.000 0.976 245 R HN 0.417 nan 8.270 nan 0.000 0.443 246 R N 1.100 121.573 120.500 -0.046 0.000 2.250 246 R HA 0.141 4.480 4.340 -0.001 0.000 0.194 246 R C 0.177 176.450 176.300 -0.045 0.000 0.927 246 R CA 0.623 56.705 56.100 -0.031 0.000 1.052 246 R CB 0.448 30.736 30.300 -0.019 0.000 1.055 246 R HN 0.761 nan 8.270 nan 0.000 0.537 247 S N -1.369 114.321 115.700 -0.017 0.000 2.636 247 S HA 0.376 4.845 4.470 -0.001 0.000 0.268 247 S C -2.612 171.959 174.600 -0.048 0.000 1.159 247 S CA -1.028 57.155 58.200 -0.029 0.000 0.815 247 S CB 2.082 65.284 63.200 0.003 0.000 1.130 247 S HN -0.269 nan 8.310 nan 0.000 0.471 248 P HA 0.015 nan 4.420 nan 0.000 0.223 248 P C 0.990 178.262 177.300 -0.046 0.000 1.144 248 P CA 1.803 64.865 63.100 -0.063 0.000 0.783 248 P CB -0.160 31.520 31.700 -0.032 0.000 0.771 249 T N -7.074 107.484 114.554 0.007 0.000 3.091 249 T HA 0.269 4.618 4.350 -0.001 0.000 0.277 249 T C -0.221 174.521 174.700 0.070 0.000 0.996 249 T CA -0.327 61.792 62.100 0.033 0.000 0.897 249 T CB -0.515 68.391 68.868 0.063 0.000 1.109 249 T HN -0.137 nan 8.240 nan 0.000 0.534 250 F N 1.969 121.863 119.950 -0.092 0.000 2.536 250 F HA 0.671 5.198 4.527 -0.001 0.000 0.322 250 F C -1.332 174.347 175.800 -0.201 0.000 1.144 250 F CA -1.262 56.680 58.000 -0.096 0.000 0.924 250 F CB 1.898 40.855 39.000 -0.073 0.000 1.181 250 F HN -0.115 nan 8.300 nan 0.000 0.438 251 V N 5.538 125.145 119.914 -0.512 0.000 2.384 251 V HA 0.257 4.376 4.120 -0.001 0.000 0.287 251 V C -0.230 175.404 176.094 -0.767 0.000 1.020 251 V CA -0.846 61.065 62.300 -0.649 0.000 0.850 251 V CB 1.564 32.810 31.823 -0.963 0.000 0.987 251 V HN 0.714 nan 8.190 nan 0.000 0.436 252 E N 4.681 124.689 120.200 -0.320 0.000 1.996 252 E HA 0.137 4.487 4.350 -0.001 0.000 0.280 252 E C -1.084 175.352 176.600 -0.272 0.000 1.092 252 E CA -0.554 55.795 56.400 -0.085 0.000 0.862 252 E CB 0.411 30.204 29.700 0.157 0.000 1.066 252 E HN 0.633 nan 8.360 nan 0.000 0.396 253 W N 2.845 124.068 121.300 -0.128 0.000 2.238 253 W HA 0.129 4.788 4.660 -0.001 0.000 0.321 253 W C 0.689 177.244 176.519 0.060 0.000 1.293 253 W CA -0.482 56.752 57.345 -0.185 0.000 1.204 253 W CB 0.902 29.995 29.460 -0.612 0.000 1.167 253 W HN 0.313 nan 8.180 nan 0.000 0.553 254 S N 1.624 117.543 115.700 0.364 0.000 2.614 254 S HA 0.593 5.062 4.470 -0.001 0.000 0.265 254 S C 0.157 175.214 174.600 0.761 0.000 1.303 254 S CA -0.512 57.976 58.200 0.479 0.000 1.000 254 S CB 1.035 64.520 63.200 0.477 0.000 0.935 254 S HN 0.514 nan 8.310 nan 0.000 0.551 255 S N -0.302 115.789 115.700 0.651 0.000 2.703 255 S HA 0.685 5.154 4.470 -0.001 0.000 0.273 255 S C 0.814 175.633 174.600 0.364 0.000 1.178 255 S CA -0.340 58.185 58.200 0.542 0.000 0.838 255 S CB 0.495 63.937 63.200 0.403 0.000 1.178 255 S HN 0.722 nan 8.310 nan 0.000 0.494 256 A N 1.756 124.684 122.820 0.180 0.000 1.915 256 A HA -0.237 4.082 4.320 -0.001 0.000 0.220 256 A C 2.029 179.674 177.584 0.101 0.000 1.198 256 A CA 2.354 54.450 52.037 0.098 0.000 0.647 256 A CB -1.663 17.366 19.000 0.047 0.000 0.825 256 A HN 0.882 nan 8.150 nan 0.000 0.456 257 N N -0.637 118.130 118.700 0.111 0.000 2.137 257 N HA -0.168 4.572 4.740 -0.001 0.000 0.190 257 N C 1.574 177.121 175.510 0.062 0.000 1.017 257 N CA 2.148 55.237 53.050 0.066 0.000 0.859 257 N CB -0.293 38.244 38.487 0.084 0.000 1.002 257 N HN 0.500 nan 8.380 nan 0.000 0.428 258 T N 0.414 115.055 114.554 0.145 0.000 2.788 258 T HA -0.058 4.292 4.350 -0.001 0.000 0.268 258 T C 2.071 176.816 174.700 0.076 0.000 1.044 258 T CA 1.129 63.317 62.100 0.147 0.000 1.139 258 T CB -0.199 68.835 68.868 0.277 0.000 0.867 258 T HN 0.061 nan 8.240 nan 0.000 0.454 259 V N -0.502 119.442 119.914 0.050 0.000 2.379 259 V HA 0.178 4.297 4.120 -0.001 0.000 0.245 259 V C 0.474 176.535 176.094 -0.055 0.000 1.044 259 V CA 0.935 63.186 62.300 -0.082 0.000 1.036 259 V CB -0.337 31.392 31.823 -0.158 0.000 0.664 259 V HN 0.475 nan 8.190 nan 0.000 0.453 260 F N 0.853 120.684 119.950 -0.199 0.000 2.604 260 F HA 0.385 4.912 4.527 -0.001 0.000 0.316 260 F C 0.216 175.907 175.800 -0.182 0.000 1.136 260 F CA -1.649 56.205 58.000 -0.244 0.000 0.989 260 F CB 1.471 40.277 39.000 -0.324 0.000 1.258 260 F HN 0.146 nan 8.300 nan 0.000 0.451 261 D N 4.709 124.679 120.400 -0.718 0.000 2.371 261 D HA -0.049 4.590 4.640 -0.001 0.000 0.221 261 D C 1.199 177.236 176.300 -0.437 0.000 0.986 261 D CA 1.142 54.865 54.000 -0.461 0.000 0.899 261 D CB -0.041 40.538 40.800 -0.369 0.000 0.902 261 D HN 0.691 nan 8.370 nan 0.000 0.530 262 L N -2.071 118.737 121.223 -0.693 0.000 4.884 262 L HA -0.240 4.100 4.340 -0.001 0.000 0.430 262 L C -0.189 176.658 176.870 -0.040 0.000 1.087 262 L CA 0.478 55.193 54.840 -0.208 0.000 1.033 262 L CB -1.421 40.654 42.059 0.026 0.000 2.030 262 L HN 0.218 nan 8.230 nan 0.000 0.762 263 Q N 1.153 120.829 119.800 -0.206 0.000 2.332 263 Q HA 0.208 4.547 4.340 -0.001 0.000 0.263 263 Q C 0.406 176.475 176.000 0.114 0.000 0.979 263 Q CA 0.017 55.783 55.803 -0.061 0.000 0.885 263 Q CB 0.569 29.233 28.738 -0.123 0.000 1.218 263 Q HN 0.146 nan 8.270 nan 0.000 0.405 264 N N 2.069 120.828 118.700 0.099 0.000 2.441 264 N HA 0.077 4.816 4.740 -0.001 0.000 0.251 264 N C -0.231 175.349 175.510 0.117 0.000 1.242 264 N CA 0.455 53.570 53.050 0.108 0.000 0.898 264 N CB 0.593 39.049 38.487 -0.052 0.000 1.100 264 N HN 0.274 nan 8.380 nan 0.000 0.443 265 R N 0.944 121.548 120.500 0.172 0.000 2.725 265 R HA 0.451 4.790 4.340 -0.001 0.000 0.277 265 R C -2.498 173.901 176.300 0.165 0.000 0.987 265 R CA -1.586 54.610 56.100 0.160 0.000 0.901 265 R CB 2.258 32.685 30.300 0.213 0.000 1.207 265 R HN 0.408 nan 8.270 nan 0.000 0.463 266 P HA 0.029 nan 4.420 nan 0.000 0.271 266 P C -1.358 175.994 177.300 0.086 0.000 1.218 266 P CA -0.076 63.115 63.100 0.153 0.000 0.780 266 P CB 0.688 32.535 31.700 0.246 0.000 0.901 267 N N -0.540 118.191 118.700 0.051 0.000 2.902 267 N HA 0.226 4.965 4.740 -0.001 0.000 0.268 267 N C 0.687 176.202 175.510 0.007 0.000 1.450 267 N CA -0.760 52.304 53.050 0.023 0.000 0.819 267 N CB -0.505 37.985 38.487 0.004 0.000 1.540 267 N HN 0.056 nan 8.380 nan 0.000 0.545 268 T N -0.687 113.866 114.554 -0.003 0.000 2.699 268 T HA -0.119 4.230 4.350 -0.001 0.000 0.268 268 T C 0.404 175.093 174.700 -0.019 0.000 1.036 268 T CA 1.677 63.772 62.100 -0.009 0.000 1.147 268 T CB -0.469 68.393 68.868 -0.011 0.000 0.862 268 T HN 0.514 nan 8.240 nan 0.000 0.446 269 D N 0.779 121.162 120.400 -0.027 0.000 2.317 269 D HA 0.171 4.810 4.640 -0.001 0.000 0.211 269 D C 0.757 177.034 176.300 -0.039 0.000 0.966 269 D CA 0.401 54.380 54.000 -0.036 0.000 0.876 269 D CB 0.174 40.945 40.800 -0.047 0.000 0.927 269 D HN 0.374 nan 8.370 nan 0.000 0.519 270 A N 1.162 123.963 122.820 -0.032 0.000 3.370 270 A HA 0.306 4.625 4.320 -0.001 0.000 0.295 270 A C -1.983 175.584 177.584 -0.029 0.000 1.030 270 A CA -0.816 51.202 52.037 -0.033 0.000 0.883 270 A CB 0.955 19.944 19.000 -0.019 0.000 1.191 270 A HN -0.155 nan 8.150 nan 0.000 0.507 271 P HA -0.059 nan 4.420 nan 0.000 0.229 271 P C 0.471 177.676 177.300 -0.158 0.000 1.160 271 P CA 1.086 64.159 63.100 -0.045 0.000 0.777 271 P CB 0.489 32.163 31.700 -0.044 0.000 0.814 272 E N -0.202 119.827 120.200 -0.286 0.000 2.498 272 E HA 0.140 4.489 4.350 -0.001 0.000 0.203 272 E C 0.278 176.615 176.600 -0.438 0.000 1.013 272 E CA 0.104 56.103 56.400 -0.669 0.000 0.927 272 E CB 0.609 30.004 29.700 -0.507 0.000 1.012 272 E HN 0.494 nan 8.360 nan 0.000 0.482 273 E N 0.918 121.054 120.200 -0.105 0.000 2.227 273 E HA 0.443 4.792 4.350 -0.001 0.000 0.268 273 E C -0.225 176.503 176.600 0.213 0.000 0.990 273 E CA -0.498 55.938 56.400 0.060 0.000 0.856 273 E CB 1.431 31.177 29.700 0.076 0.000 1.159 273 E HN -0.175 nan 8.360 nan 0.000 0.401 274 R N 1.943 122.598 120.500 0.258 0.000 2.507 274 R HA 0.380 4.719 4.340 -0.001 0.000 0.298 274 R C -1.628 174.859 176.300 0.312 0.000 1.087 274 R CA -0.504 55.767 56.100 0.285 0.000 0.917 274 R CB 0.898 31.369 30.300 0.286 0.000 1.173 274 R HN 0.384 nan 8.270 nan 0.000 0.472 275 F N 2.197 122.209 119.950 0.103 0.000 2.588 275 F HA 0.459 4.985 4.527 -0.001 0.000 0.314 275 F C -1.613 174.164 175.800 -0.038 0.000 1.134 275 F CA -0.685 57.348 58.000 0.054 0.000 0.961 275 F CB 2.027 41.119 39.000 0.153 0.000 1.239 275 F HN 0.358 nan 8.300 nan 0.000 0.448 276 N N 4.765 122.831 118.700 -1.057 0.000 2.295 276 N HA 0.588 5.327 4.740 -0.001 0.000 0.293 276 N C -2.017 172.490 175.510 -1.671 0.000 1.040 276 N CA -0.634 51.721 53.050 -1.159 0.000 0.840 276 N CB 2.357 40.364 38.487 -0.801 0.000 1.468 276 N HN 0.584 nan 8.380 nan 0.000 0.478 277 L N 2.395 122.833 121.223 -1.308 0.000 2.309 277 L HA 0.663 5.002 4.340 -0.001 0.000 0.282 277 L C -1.652 174.657 176.870 -0.934 0.000 1.036 277 L CA -0.272 54.035 54.840 -0.889 0.000 0.806 277 L CB 0.285 42.183 42.059 -0.270 0.000 1.220 277 L HN 0.471 nan 8.230 nan 0.000 0.429 278 F N 6.085 125.789 119.950 -0.411 0.000 2.552 278 F HA 0.526 5.052 4.527 -0.001 0.000 0.369 278 F C -2.170 173.580 175.800 -0.083 0.000 1.112 278 F CA -1.943 55.912 58.000 -0.241 0.000 1.129 278 F CB 0.816 39.651 39.000 -0.275 0.000 1.360 278 F HN 0.404 nan 8.300 nan 0.000 0.473 279 P HA 0.315 nan 4.420 nan 0.000 0.276 279 P C 0.043 177.400 177.300 0.096 0.000 1.252 279 P CA -0.170 62.973 63.100 0.072 0.000 0.802 279 P CB 1.119 32.839 31.700 0.033 0.000 1.035 280 A N -0.782 122.078 122.820 0.066 0.000 2.791 280 A HA -0.096 4.223 4.320 -0.001 0.000 0.292 280 A C -0.077 177.535 177.584 0.046 0.000 1.487 280 A CA 0.700 52.767 52.037 0.049 0.000 0.760 280 A CB -2.423 16.605 19.000 0.046 0.000 1.031 280 A HN 0.265 nan 8.150 nan 0.000 0.503 281 V N -0.092 119.866 119.914 0.073 0.000 2.409 281 V HA 0.653 4.772 4.120 -0.001 0.000 0.290 281 V C 0.642 176.739 176.094 0.004 0.000 1.017 281 V CA -0.325 62.016 62.300 0.068 0.000 0.841 281 V CB 1.414 33.373 31.823 0.226 0.000 1.003 281 V HN 1.493 nan 8.190 nan 0.000 0.426 282 A N 4.239 127.029 122.820 -0.049 0.000 2.404 282 A HA 0.424 4.744 4.320 -0.001 0.000 0.273 282 A C 0.143 177.691 177.584 -0.060 0.000 1.144 282 A CA -0.094 51.903 52.037 -0.067 0.000 0.806 282 A CB -0.090 18.912 19.000 0.002 0.000 1.080 282 A HN 0.857 nan 8.150 nan 0.000 0.509 283 C N 2.970 122.217 119.300 -0.089 0.000 2.285 283 C HA 0.364 4.823 4.460 -0.001 0.000 0.335 283 C C 1.355 176.310 174.990 -0.058 0.000 1.267 283 C CA -0.277 58.679 59.018 -0.105 0.000 1.762 283 C CB -0.299 27.377 27.740 -0.106 0.000 2.365 283 C HN 1.032 nan 8.230 nan 0.000 0.527 284 E N 0.958 121.151 120.200 -0.012 0.000 2.290 284 E HA 0.138 4.487 4.350 -0.001 0.000 0.199 284 E C 0.258 176.864 176.600 0.009 0.000 0.912 284 E CA 0.446 56.861 56.400 0.025 0.000 0.924 284 E CB 0.529 30.295 29.700 0.110 0.000 0.901 284 E HN 0.611 nan 8.360 nan 0.000 0.487 285 R N 0.520 121.036 120.500 0.026 0.000 2.594 285 R HA 0.268 4.608 4.340 -0.001 0.000 0.265 285 R C -1.240 175.056 176.300 -0.007 0.000 1.070 285 R CA -0.524 55.576 56.100 0.000 0.000 0.909 285 R CB 2.411 32.702 30.300 -0.015 0.000 1.243 285 R HN -0.088 nan 8.270 nan 0.000 0.455 286 V N -0.180 119.711 119.914 -0.038 0.000 2.472 286 V HA 0.591 4.710 4.120 -0.001 0.000 0.290 286 V C 0.012 176.062 176.094 -0.072 0.000 1.037 286 V CA -0.777 61.469 62.300 -0.091 0.000 0.908 286 V CB 1.707 33.439 31.823 -0.152 0.000 0.985 286 V HN 0.399 nan 8.190 nan 0.000 0.454 287 V N 5.725 125.579 119.914 -0.101 0.000 2.385 287 V HA 0.435 4.555 4.120 -0.001 0.000 0.269 287 V C 0.666 176.733 176.094 -0.045 0.000 1.043 287 V CA -0.409 61.852 62.300 -0.064 0.000 0.906 287 V CB 0.683 32.480 31.823 -0.044 0.000 0.995 287 V HN 0.926 nan 8.190 nan 0.000 0.467 288 R N 3.857 124.350 120.500 -0.013 0.000 2.441 288 R HA 0.298 4.637 4.340 -0.001 0.000 0.284 288 R C 0.306 176.631 176.300 0.041 0.000 1.070 288 R CA -0.600 55.549 56.100 0.081 0.000 1.047 288 R CB 0.720 31.043 30.300 0.038 0.000 1.016 288 R HN 0.866 nan 8.270 nan 0.000 0.477 289 N N 1.506 120.242 118.700 0.059 0.000 2.354 289 N HA -0.013 4.727 4.740 -0.001 0.000 0.246 289 N C 0.509 176.008 175.510 -0.020 0.000 1.285 289 N CA 0.080 53.134 53.050 0.007 0.000 0.925 289 N CB 0.525 39.011 38.487 -0.001 0.000 1.174 289 N HN 0.577 nan 8.380 nan 0.000 0.478 290 A N 0.436 123.239 122.820 -0.030 0.000 2.015 290 A HA -0.020 4.299 4.320 -0.001 0.000 0.219 290 A C 2.134 179.684 177.584 -0.056 0.000 1.163 290 A CA 0.761 52.775 52.037 -0.038 0.000 0.646 290 A CB -0.731 18.250 19.000 -0.031 0.000 0.806 290 A HN 0.654 nan 8.150 nan 0.000 0.448 291 L N -0.904 120.275 121.223 -0.073 0.000 2.552 291 L HA -0.019 4.320 4.340 -0.001 0.000 0.227 291 L C 0.077 176.842 176.870 -0.176 0.000 1.146 291 L CA 0.014 54.793 54.840 -0.102 0.000 0.858 291 L CB -0.385 41.616 42.059 -0.097 0.000 0.969 291 L HN 0.392 nan 8.230 nan 0.000 0.451 292 N N 0.056 118.636 118.700 -0.201 0.000 2.740 292 N HA -0.178 4.562 4.740 -0.001 0.000 0.248 292 N C 0.849 175.739 175.510 -1.034 0.000 1.062 292 N CA 1.052 53.857 53.050 -0.410 0.000 0.704 292 N CB -1.228 37.164 38.487 -0.158 0.000 0.968 292 N HN 0.534 nan 8.380 nan 0.000 0.547 293 S N -2.139 113.095 115.700 -0.778 0.000 2.632 293 S HA 0.274 4.743 4.470 -0.001 0.000 0.237 293 S C 0.268 174.629 174.600 -0.398 0.000 1.037 293 S CA -0.207 57.596 58.200 -0.661 0.000 1.009 293 S CB 1.578 64.612 63.200 -0.277 0.000 0.974 293 S HN 0.386 nan 8.310 nan 0.000 0.544 294 E N 0.326 120.417 120.200 -0.181 0.000 2.375 294 E HA 0.435 4.784 4.350 -0.001 0.000 0.280 294 E C -1.698 175.075 176.600 0.288 0.000 0.972 294 E CA -0.845 55.653 56.400 0.163 0.000 0.782 294 E CB 1.342 31.102 29.700 0.101 0.000 1.229 294 E HN 0.094 nan 8.360 nan 0.000 0.439 295 I N 3.509 124.209 120.570 0.216 0.000 2.365 295 I HA 0.140 4.309 4.170 -0.001 0.000 0.291 295 I C 0.845 176.883 176.117 -0.131 0.000 1.004 295 I CA 0.030 61.278 61.300 -0.086 0.000 1.311 295 I CB 1.310 39.019 38.000 -0.486 0.000 1.401 295 I HN 0.692 nan 8.210 nan 0.000 0.491 296 E N 3.252 123.391 120.200 -0.102 0.000 2.389 296 E HA 0.084 4.433 4.350 -0.001 0.000 0.199 296 E C 0.312 176.945 176.600 0.055 0.000 0.978 296 E CA 0.350 56.761 56.400 0.018 0.000 0.912 296 E CB 0.602 30.321 29.700 0.033 0.000 0.907 296 E HN 0.736 nan 8.360 nan 0.000 0.494 297 S N -0.519 115.142 115.700 -0.066 0.000 2.636 297 S HA 0.504 4.973 4.470 -0.001 0.000 0.266 297 S C -1.552 173.049 174.600 0.001 0.000 1.147 297 S CA -1.057 57.198 58.200 0.090 0.000 0.815 297 S CB 1.253 64.524 63.200 0.118 0.000 1.119 297 S HN 0.012 nan 8.310 nan 0.000 0.470 298 L N 1.695 123.017 121.223 0.164 0.000 2.349 298 L HA 0.671 5.010 4.340 -0.001 0.000 0.278 298 L C -0.952 175.941 176.870 0.038 0.000 0.996 298 L CA -0.195 54.694 54.840 0.082 0.000 0.825 298 L CB 1.391 43.523 42.059 0.121 0.000 1.243 298 L HN 0.999 nan 8.230 nan 0.000 0.412 299 H N 5.254 124.287 119.070 -0.062 0.000 2.604 299 H HA 0.619 5.175 4.556 -0.001 0.000 0.306 299 H C -0.464 174.810 175.328 -0.089 0.000 1.075 299 H CA -0.135 55.878 56.048 -0.059 0.000 1.357 299 H CB 0.662 30.393 29.762 -0.052 0.000 1.426 299 H HN 0.650 nan 8.280 nan 0.000 0.470 300 I N 1.427 121.738 120.570 -0.432 0.000 2.957 300 I HA 0.437 4.606 4.170 -0.001 0.000 0.310 300 I C -1.099 174.903 176.117 -0.191 0.000 1.063 300 I CA -0.999 60.126 61.300 -0.293 0.000 1.033 300 I CB 2.590 40.348 38.000 -0.402 0.000 1.230 300 I HN 0.643 nan 8.210 nan 0.000 0.447 301 H N 2.914 121.891 119.070 -0.155 0.000 2.970 301 H HA 0.213 4.768 4.556 -0.001 0.000 0.315 301 H C -1.491 173.843 175.328 0.010 0.000 0.992 301 H CA -0.676 55.324 56.048 -0.080 0.000 1.363 301 H CB 1.409 31.145 29.762 -0.042 0.000 1.532 301 H HN 0.782 nan 8.280 nan 0.000 0.514 302 D N 5.501 125.929 120.400 0.046 0.000 2.358 302 D HA -0.013 4.626 4.640 -0.001 0.000 0.258 302 D C 1.079 177.254 176.300 -0.208 0.000 1.223 302 D CA -0.000 54.005 54.000 0.009 0.000 0.886 302 D CB 0.962 41.884 40.800 0.202 0.000 1.120 302 D HN 0.683 nan 8.370 nan 0.000 0.482 303 L N 4.297 125.391 121.223 -0.214 0.000 2.395 303 L HA -0.075 4.265 4.340 -0.001 0.000 0.218 303 L C 1.815 178.633 176.870 -0.087 0.000 1.130 303 L CA 0.040 54.733 54.840 -0.246 0.000 0.826 303 L CB 0.005 42.003 42.059 -0.103 0.000 0.941 303 L HN 0.507 nan 8.230 nan 0.000 0.451 304 I N -0.660 119.896 120.570 -0.024 0.000 2.364 304 I HA -0.122 4.048 4.170 -0.001 0.000 0.241 304 I C 2.760 178.894 176.117 0.029 0.000 1.082 304 I CA 1.547 62.856 61.300 0.015 0.000 1.401 304 I CB -1.216 36.805 38.000 0.035 0.000 1.126 304 I HN 0.242 nan 8.210 nan 0.000 0.429 305 S N 0.719 116.450 115.700 0.053 0.000 2.387 305 S HA 0.026 4.496 4.470 -0.001 0.000 0.226 305 S C 1.863 176.501 174.600 0.064 0.000 1.026 305 S CA 1.135 59.378 58.200 0.071 0.000 0.972 305 S CB -0.236 63.037 63.200 0.121 0.000 0.814 305 S HN 0.640 nan 8.310 nan 0.000 0.477 306 G N 0.796 109.635 108.800 0.064 0.000 2.175 306 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.244 306 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.244 306 G C -0.453 174.545 174.900 0.164 0.000 0.982 306 G CA 0.106 45.288 45.100 0.137 0.000 0.641 306 G HN 0.566 nan 8.290 nan 0.000 0.527 307 D N 0.679 121.116 120.400 0.061 0.000 2.341 307 D HA 0.499 5.138 4.640 -0.001 0.000 0.245 307 D C 1.013 177.162 176.300 -0.251 0.000 1.106 307 D CA 0.089 53.985 54.000 -0.174 0.000 0.905 307 D CB 0.571 41.178 40.800 -0.321 0.000 1.202 307 D HN 0.384 nan 8.370 nan 0.000 0.426 308 R N 1.355 121.575 120.500 -0.467 0.000 2.540 308 R HA 0.618 4.957 4.340 -0.001 0.000 0.287 308 R C -0.592 175.196 176.300 -0.854 0.000 0.980 308 R CA -0.565 55.245 56.100 -0.482 0.000 0.966 308 R CB 1.037 31.161 30.300 -0.293 0.000 1.106 308 R HN 0.308 nan 8.270 nan 0.000 0.480 309 F N -0.321 119.457 119.950 -0.286 0.000 2.643 309 F HA 0.343 4.869 4.527 -0.001 0.000 0.314 309 F C 0.059 175.706 175.800 -0.255 0.000 1.096 309 F CA -1.024 56.855 58.000 -0.202 0.000 0.953 309 F CB 1.756 40.663 39.000 -0.155 0.000 1.345 309 F HN 0.186 nan 8.300 nan 0.000 0.468 310 E N 2.248 122.522 120.200 0.124 0.000 2.158 310 E HA 0.445 4.794 4.350 -0.001 0.000 0.271 310 E C -1.121 175.539 176.600 0.100 0.000 0.911 310 E CA -0.548 55.914 56.400 0.104 0.000 0.767 310 E CB 2.528 32.314 29.700 0.144 0.000 1.120 310 E HN 0.263 nan 8.360 nan 0.000 0.405 311 I N 2.357 122.973 120.570 0.077 0.000 2.377 311 I HA 0.294 4.463 4.170 -0.001 0.000 0.293 311 I C 0.360 176.603 176.117 0.210 0.000 0.987 311 I CA -0.651 60.724 61.300 0.125 0.000 1.185 311 I CB 1.250 39.288 38.000 0.062 0.000 1.341 311 I HN 0.200 nan 8.210 nan 0.000 0.455 312 K N 4.326 124.846 120.400 0.201 0.000 2.182 312 K HA 0.832 5.152 4.320 -0.001 0.000 0.262 312 K C -0.960 175.730 176.600 0.150 0.000 0.957 312 K CA -0.380 56.037 56.287 0.216 0.000 0.842 312 K CB 2.477 35.070 32.500 0.154 0.000 1.099 312 K HN 0.838 nan 8.250 nan 0.000 0.438 313 A N 2.474 125.316 122.820 0.036 0.000 2.566 313 A HA 0.342 4.661 4.320 -0.001 0.000 0.292 313 A C -0.331 177.168 177.584 -0.141 0.000 1.112 313 A CA -0.622 51.301 52.037 -0.190 0.000 0.707 313 A CB 1.072 19.719 19.000 -0.588 0.000 1.302 313 A HN 0.719 nan 8.150 nan 0.000 0.409 314 D N -0.501 119.848 120.400 -0.086 0.000 2.162 314 D HA 0.122 4.761 4.640 -0.001 0.000 0.203 314 D C 0.331 176.570 176.300 -0.102 0.000 0.967 314 D CA 1.617 55.639 54.000 0.037 0.000 0.840 314 D CB 0.202 41.078 40.800 0.127 0.000 0.972 314 D HN 0.224 nan 8.370 nan 0.000 0.482 315 V N 0.643 120.338 119.914 -0.364 0.000 2.656 315 V HA 0.305 4.425 4.120 -0.001 0.000 0.307 315 V C -1.286 174.563 176.094 -0.409 0.000 1.051 315 V CA -0.893 61.184 62.300 -0.372 0.000 0.893 315 V CB 1.892 33.349 31.823 -0.610 0.000 0.999 315 V HN -0.067 nan 8.190 nan 0.000 0.426 316 Y N 2.618 122.913 120.300 -0.009 0.000 2.350 316 Y HA 0.722 5.271 4.550 -0.001 0.000 0.338 316 Y C -0.182 175.691 175.900 -0.044 0.000 0.961 316 Y CA -0.958 57.127 58.100 -0.025 0.000 1.100 316 Y CB 2.204 40.653 38.460 -0.019 0.000 1.179 316 Y HN 0.350 nan 8.280 nan 0.000 0.454 317 V N 5.321 125.208 119.914 -0.047 0.000 2.531 317 V HA 0.403 4.523 4.120 -0.001 0.000 0.301 317 V C -0.543 175.425 176.094 -0.211 0.000 1.034 317 V CA -0.935 61.224 62.300 -0.235 0.000 0.865 317 V CB 1.832 33.292 31.823 -0.605 0.000 0.995 317 V HN 0.590 nan 8.190 nan 0.000 0.424 318 L N 5.113 126.210 121.223 -0.210 0.000 2.264 318 L HA 0.521 4.861 4.340 -0.001 0.000 0.287 318 L C 0.415 177.184 176.870 -0.169 0.000 1.039 318 L CA -0.169 54.567 54.840 -0.174 0.000 0.829 318 L CB 1.436 43.371 42.059 -0.206 0.000 1.211 318 L HN 0.820 nan 8.230 nan 0.000 0.427 319 T N -1.666 112.822 114.554 -0.110 0.000 3.516 319 T HA 0.367 4.716 4.350 -0.001 0.000 0.245 319 T C 0.712 175.421 174.700 0.015 0.000 1.077 319 T CA -0.142 61.936 62.100 -0.037 0.000 1.222 319 T CB 0.987 69.831 68.868 -0.039 0.000 1.045 319 T HN 0.527 nan 8.240 nan 0.000 0.585 320 A N 0.785 123.622 122.820 0.029 0.000 2.307 320 A HA 0.767 5.086 4.320 -0.001 0.000 0.218 320 A C 1.361 179.022 177.584 0.129 0.000 1.228 320 A CA 0.057 52.134 52.037 0.067 0.000 0.857 320 A CB -0.733 18.300 19.000 0.056 0.000 0.897 320 A HN 1.687 nan 8.150 nan 0.000 0.495 321 G N -2.591 106.283 108.800 0.124 0.000 2.663 321 G HA2 0.275 4.235 3.960 -0.001 0.000 0.686 321 G HA3 0.275 4.235 3.960 -0.001 0.000 0.686 321 G C 0.702 175.703 174.900 0.168 0.000 1.246 321 G CA -0.327 44.854 45.100 0.135 0.000 0.795 321 G HN 1.268 nan 8.290 nan 0.000 0.627 322 A N -0.249 122.655 122.820 0.141 0.000 1.972 322 A HA 0.237 4.556 4.320 -0.001 0.000 0.219 322 A C 2.579 180.249 177.584 0.143 0.000 1.169 322 A CA 3.093 55.211 52.037 0.134 0.000 0.635 322 A CB -0.246 18.798 19.000 0.074 0.000 0.810 322 A HN 1.561 nan 8.150 nan 0.000 0.446 323 V N -1.198 118.755 119.914 0.065 0.000 2.379 323 V HA -0.160 3.959 4.120 -0.001 0.000 0.243 323 V C 2.159 178.264 176.094 0.017 0.000 1.035 323 V CA 2.004 64.307 62.300 0.004 0.000 1.035 323 V CB -0.959 30.749 31.823 -0.191 0.000 0.673 323 V HN 0.727 nan 8.190 nan 0.000 0.457 324 H N -0.238 118.907 119.070 0.125 0.000 2.502 324 H HA -0.001 4.554 4.556 -0.001 0.000 0.283 324 H C 2.224 177.553 175.328 0.003 0.000 1.015 324 H CA 0.816 56.895 56.048 0.051 0.000 1.298 324 H CB 0.149 29.919 29.762 0.013 0.000 1.411 324 H HN 0.312 nan 8.280 nan 0.000 0.556 325 N N -0.094 118.685 118.700 0.133 0.000 2.120 325 N HA -0.118 4.621 4.740 -0.001 0.000 0.188 325 N C 1.745 177.241 175.510 -0.022 0.000 1.024 325 N CA 1.716 54.772 53.050 0.011 0.000 0.852 325 N CB -0.431 38.029 38.487 -0.044 0.000 1.003 325 N HN 0.322 nan 8.380 nan 0.000 0.424 326 T N 0.749 115.371 114.554 0.112 0.000 2.746 326 T HA -0.172 4.178 4.350 -0.001 0.000 0.267 326 T C 1.847 176.451 174.700 -0.160 0.000 1.039 326 T CA 1.136 63.308 62.100 0.121 0.000 1.142 326 T CB -0.201 68.878 68.868 0.352 0.000 0.866 326 T HN 0.360 nan 8.240 nan 0.000 0.444 327 Q N 0.107 119.731 119.800 -0.293 0.000 2.084 327 Q HA -0.101 4.238 4.340 -0.001 0.000 0.202 327 Q C 2.304 178.045 176.000 -0.433 0.000 0.978 327 Q CA 1.036 56.325 55.803 -0.857 0.000 0.844 327 Q CB -0.232 28.302 28.738 -0.341 0.000 0.898 327 Q HN 0.335 nan 8.270 nan 0.000 0.426 328 L N 0.753 121.855 121.223 -0.202 0.000 2.046 328 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 328 L C 2.054 178.843 176.870 -0.135 0.000 1.077 328 L CA 1.610 56.365 54.840 -0.142 0.000 0.747 328 L CB -0.726 41.269 42.059 -0.105 0.000 0.896 328 L HN 0.322 nan 8.230 nan 0.000 0.432 329 L N -1.948 119.175 121.223 -0.168 0.000 2.017 329 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 329 L C 2.431 179.331 176.870 0.050 0.000 1.073 329 L CA 1.017 55.779 54.840 -0.129 0.000 0.745 329 L CB -0.628 41.243 42.059 -0.313 0.000 0.894 329 L HN 0.077 nan 8.230 nan 0.000 0.432 330 V N -0.041 119.831 119.914 -0.070 0.000 2.407 330 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 330 V C 2.125 178.192 176.094 -0.045 0.000 1.055 330 V CA 1.989 64.267 62.300 -0.036 0.000 1.049 330 V CB -0.698 31.051 31.823 -0.123 0.000 0.662 330 V HN 0.482 nan 8.190 nan 0.000 0.455 331 N N 0.037 118.668 118.700 -0.116 0.000 2.453 331 N HA -0.104 4.635 4.740 -0.001 0.000 0.183 331 N C 1.589 177.080 175.510 -0.032 0.000 1.041 331 N CA 1.235 54.241 53.050 -0.073 0.000 0.900 331 N CB -0.055 38.378 38.487 -0.090 0.000 0.961 331 N HN 0.401 nan 8.380 nan 0.000 0.443 332 S N -1.629 114.079 115.700 0.014 0.000 2.556 332 S HA 0.324 4.793 4.470 -0.001 0.000 0.216 332 S C 1.086 175.673 174.600 -0.021 0.000 0.970 332 S CA 0.293 58.511 58.200 0.031 0.000 0.912 332 S CB 0.593 63.868 63.200 0.125 0.000 0.790 332 S HN 0.542 nan 8.310 nan 0.000 0.504 333 G N 1.044 109.836 108.800 -0.013 0.000 2.159 333 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.227 333 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.227 333 G C -0.053 174.758 174.900 -0.148 0.000 0.986 333 G CA -0.591 44.453 45.100 -0.093 0.000 0.651 333 G HN 0.407 nan 8.290 nan 0.000 0.523 334 F N 0.921 120.845 119.950 -0.042 0.000 2.382 334 F HA 0.515 5.041 4.527 -0.001 0.000 0.331 334 F C 1.750 177.562 175.800 0.020 0.000 1.121 334 F CA 1.165 59.153 58.000 -0.020 0.000 1.183 334 F CB 0.759 39.718 39.000 -0.070 0.000 1.207 334 F HN 0.714 nan 8.300 nan 0.000 0.555 335 G N 1.754 110.702 108.800 0.247 0.000 2.614 335 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.303 335 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.303 335 G C -0.599 174.377 174.900 0.126 0.000 1.270 335 G CA 0.356 45.564 45.100 0.180 0.000 0.988 335 G HN 0.829 nan 8.290 nan 0.000 0.551 336 Q N -1.229 118.653 119.800 0.136 0.000 2.271 336 Q HA 0.604 4.943 4.340 -0.001 0.000 0.268 336 Q C -1.021 175.067 176.000 0.146 0.000 1.021 336 Q CA -0.980 54.885 55.803 0.103 0.000 0.802 336 Q CB 1.640 30.419 28.738 0.068 0.000 1.282 336 Q HN 0.728 nan 8.270 nan 0.000 0.431 337 L N 3.354 124.651 121.223 0.123 0.000 2.426 337 L HA 0.699 5.038 4.340 -0.001 0.000 0.271 337 L C 0.544 177.500 176.870 0.144 0.000 1.169 337 L CA 2.177 57.116 54.840 0.165 0.000 0.836 337 L CB 0.913 43.043 42.059 0.119 0.000 1.112 337 L HN 0.845 nan 8.230 nan 0.000 0.465 338 G N 3.574 112.518 108.800 0.240 0.000 2.728 338 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.294 338 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.294 338 G C -0.425 174.371 174.900 -0.174 0.000 1.342 338 G CA -0.307 44.889 45.100 0.160 0.000 0.866 338 G HN 0.855 nan 8.290 nan 0.000 0.534 339 R N 0.842 120.993 120.500 -0.583 0.000 2.480 339 R HA 0.333 4.672 4.340 -0.001 0.000 0.303 339 R C -1.861 174.006 176.300 -0.722 0.000 0.985 339 R CA -0.530 54.804 56.100 -1.276 0.000 1.051 339 R CB -0.043 29.813 30.300 -0.739 0.000 0.935 339 R HN 0.347 nan 8.270 nan 0.000 0.410 340 P HA -0.046 nan 4.420 nan 0.000 0.265 340 P C -1.257 175.889 177.300 -0.257 0.000 1.193 340 P CA 0.256 63.136 63.100 -0.368 0.000 0.765 340 P CB 0.459 31.972 31.700 -0.312 0.000 0.823 341 N N 3.210 121.817 118.700 -0.156 0.000 2.504 341 N HA 0.243 4.982 4.740 -0.001 0.000 0.280 341 N C -2.031 173.437 175.510 -0.071 0.000 1.052 341 N CA -2.051 50.933 53.050 -0.110 0.000 0.887 341 N CB 1.539 39.971 38.487 -0.091 0.000 1.323 341 N HN 0.092 nan 8.380 nan 0.000 0.509 342 P HA 0.028 nan 4.420 nan 0.000 0.226 342 P C 0.799 178.083 177.300 -0.026 0.000 1.153 342 P CA 0.463 63.541 63.100 -0.038 0.000 0.777 342 P CB 0.236 31.915 31.700 -0.037 0.000 0.794 343 A N -0.882 121.919 122.820 -0.031 0.000 2.119 343 A HA -0.065 4.254 4.320 -0.001 0.000 0.217 343 A C 1.413 178.986 177.584 -0.019 0.000 1.153 343 A CA 1.026 53.049 52.037 -0.023 0.000 0.692 343 A CB -0.693 18.292 19.000 -0.025 0.000 0.799 343 A HN 0.101 nan 8.150 nan 0.000 0.458 344 N N -0.134 118.553 118.700 -0.022 0.000 2.687 344 N HA 0.251 4.991 4.740 -0.001 0.000 0.275 344 N C -3.320 172.184 175.510 -0.010 0.000 1.789 344 N CA -1.333 51.707 53.050 -0.016 0.000 0.806 344 N CB 0.852 39.326 38.487 -0.022 0.000 1.256 344 N HN 0.028 nan 8.380 nan 0.000 0.500 345 P HA 0.245 nan 4.420 nan 0.000 0.272 345 P C -2.485 174.827 177.300 0.020 0.000 1.223 345 P CA -0.740 62.366 63.100 0.011 0.000 0.784 345 P CB 0.026 31.737 31.700 0.018 0.000 0.923 346 P HA 0.106 nan 4.420 nan 0.000 0.277 346 P C 0.686 178.014 177.300 0.046 0.000 1.240 346 P CA -0.200 62.926 63.100 0.043 0.000 0.798 346 P CB 1.088 32.829 31.700 0.068 0.000 0.979 347 E N 1.652 121.872 120.200 0.034 0.000 2.051 347 E HA -0.095 4.254 4.350 -0.001 0.000 0.192 347 E C -0.066 176.570 176.600 0.059 0.000 0.991 347 E CA 0.880 57.299 56.400 0.032 0.000 0.799 347 E CB -0.016 29.690 29.700 0.010 0.000 0.748 347 E HN 0.404 nan 8.360 nan 0.000 0.449 348 L N 1.339 122.608 121.223 0.078 0.000 2.322 348 L HA 0.288 4.628 4.340 -0.001 0.000 0.281 348 L C -0.082 176.917 176.870 0.215 0.000 1.014 348 L CA -0.800 54.129 54.840 0.148 0.000 0.815 348 L CB 1.725 43.840 42.059 0.094 0.000 1.247 348 L HN 0.205 nan 8.230 nan 0.000 0.421 349 L N 3.914 125.287 121.223 0.249 0.000 3.823 349 L HA -0.183 4.156 4.340 -0.001 0.000 0.525 349 L C -1.458 175.527 176.870 0.192 0.000 1.247 349 L CA -0.513 54.472 54.840 0.243 0.000 0.776 349 L CB -0.860 41.372 42.059 0.287 0.000 1.443 349 L HN 0.590 nan 8.230 nan 0.000 0.831 350 P HA -0.118 nan 4.420 nan 0.000 0.225 350 P C 1.224 178.623 177.300 0.165 0.000 1.148 350 P CA 1.113 64.293 63.100 0.134 0.000 0.779 350 P CB 0.301 32.062 31.700 0.101 0.000 0.780 351 S N -0.690 115.128 115.700 0.197 0.000 2.593 351 S HA 0.064 4.534 4.470 -0.001 0.000 0.217 351 S C 0.831 175.592 174.600 0.267 0.000 0.966 351 S CA -0.399 57.964 58.200 0.272 0.000 0.914 351 S CB -0.651 62.705 63.200 0.259 0.000 0.776 351 S HN 0.071 nan 8.310 nan 0.000 0.523 352 L N 2.377 123.735 121.223 0.225 0.000 2.499 352 L HA 0.410 4.750 4.340 -0.001 0.000 0.273 352 L C 1.195 178.204 176.870 0.233 0.000 1.195 352 L CA 1.150 56.124 54.840 0.224 0.000 0.882 352 L CB -0.280 41.899 42.059 0.200 0.000 1.133 352 L HN 0.348 nan 8.230 nan 0.000 0.483 353 G N 2.398 111.344 108.800 0.244 0.000 2.168 353 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.263 353 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.263 353 G C 0.412 175.429 174.900 0.195 0.000 0.977 353 G CA 0.428 45.668 45.100 0.232 0.000 0.659 353 G HN 0.824 nan 8.290 nan 0.000 0.533 354 S N -1.623 114.196 115.700 0.199 0.000 2.704 354 S HA 0.652 5.122 4.470 -0.001 0.000 0.305 354 S C 0.375 175.099 174.600 0.206 0.000 1.107 354 S CA 0.043 58.295 58.200 0.086 0.000 0.993 354 S CB 0.941 64.096 63.200 -0.076 0.000 1.110 354 S HN 0.905 nan 8.310 nan 0.000 0.534 355 Y N -0.864 119.504 120.300 0.113 0.000 4.177 355 Y HA -0.206 4.343 4.550 -0.001 0.000 0.227 355 Y C 0.553 176.535 175.900 0.137 0.000 1.154 355 Y CA 0.225 58.390 58.100 0.108 0.000 1.887 355 Y CB -2.132 36.387 38.460 0.099 0.000 1.594 355 Y HN 0.613 nan 8.280 nan 0.000 0.668 356 I N 0.082 120.796 120.570 0.240 0.000 2.754 356 I HA 0.421 4.590 4.170 -0.001 0.000 0.285 356 I C 0.672 176.964 176.117 0.291 0.000 1.166 356 I CA 0.484 61.935 61.300 0.252 0.000 1.417 356 I CB 1.231 39.382 38.000 0.252 0.000 1.382 356 I HN 0.216 nan 8.210 nan 0.000 0.588 357 T N 2.023 116.712 114.554 0.224 0.000 2.863 357 T HA 0.674 5.024 4.350 -0.001 0.000 0.285 357 T C -0.668 174.074 174.700 0.069 0.000 1.009 357 T CA -0.690 61.528 62.100 0.198 0.000 0.989 357 T CB 2.049 70.978 68.868 0.102 0.000 1.004 357 T HN 0.835 nan 8.240 nan 0.000 0.455 358 E N 1.424 121.653 120.200 0.048 0.000 2.331 358 E HA 0.343 4.692 4.350 -0.001 0.000 0.275 358 E C -1.059 175.682 176.600 0.235 0.000 0.895 358 E CA -0.556 55.832 56.400 -0.021 0.000 0.753 358 E CB 1.987 31.466 29.700 -0.369 0.000 1.216 358 E HN 0.707 nan 8.360 nan 0.000 0.434 359 Q N 1.303 121.238 119.800 0.226 0.000 2.327 359 Q HA 0.396 4.735 4.340 -0.001 0.000 0.254 359 Q C -0.418 175.782 176.000 0.334 0.000 0.952 359 Q CA -0.252 55.731 55.803 0.299 0.000 0.884 359 Q CB 1.129 30.082 28.738 0.358 0.000 1.224 359 Q HN 0.482 nan 8.270 nan 0.000 0.422 360 S N 1.771 117.580 115.700 0.182 0.000 2.564 360 S HA 0.306 4.775 4.470 -0.001 0.000 0.278 360 S C -0.600 174.047 174.600 0.079 0.000 1.333 360 S CA -0.482 57.697 58.200 -0.036 0.000 1.048 360 S CB 0.386 63.457 63.200 -0.214 0.000 0.900 360 S HN 0.388 nan 8.310 nan 0.000 0.505 361 L N 4.594 125.834 121.223 0.029 0.000 2.409 361 L HA 0.702 5.041 4.340 -0.001 0.000 0.272 361 L C -0.720 176.008 176.870 -0.236 0.000 0.980 361 L CA -0.674 54.082 54.840 -0.139 0.000 0.826 361 L CB 1.600 43.558 42.059 -0.168 0.000 1.268 361 L HN 0.491 nan 8.230 nan 0.000 0.407 362 V N 2.104 121.788 119.914 -0.384 0.000 2.769 362 V HA 0.760 4.880 4.120 -0.001 0.000 0.312 362 V C -0.929 175.019 176.094 -0.244 0.000 1.058 362 V CA -0.682 61.315 62.300 -0.505 0.000 0.952 362 V CB 1.671 33.011 31.823 -0.805 0.000 1.019 362 V HN 0.832 nan 8.190 nan 0.000 0.445 363 F N 3.969 123.695 119.950 -0.373 0.000 2.628 363 F HA 0.833 5.359 4.527 -0.001 0.000 0.309 363 F C -0.452 175.206 175.800 -0.237 0.000 1.108 363 F CA -0.131 57.728 58.000 -0.236 0.000 0.971 363 F CB 1.487 40.395 39.000 -0.153 0.000 1.279 363 F HN 1.208 nan 8.300 nan 0.000 0.441 364 C N 2.593 121.248 119.300 -1.075 0.000 3.320 364 C HA 0.809 5.268 4.460 -0.001 0.000 0.335 364 C C -1.706 172.656 174.990 -1.047 0.000 1.430 364 C CA -0.695 57.668 59.018 -1.092 0.000 1.271 364 C CB 1.699 29.050 27.740 -0.647 0.000 1.609 364 C HN 0.974 nan 8.230 nan 0.000 0.457 365 Q N 0.602 120.043 119.800 -0.598 0.000 2.387 365 Q HA 0.756 5.095 4.340 -0.001 0.000 0.273 365 Q C -0.507 175.496 176.000 0.005 0.000 1.089 365 Q CA -0.227 55.453 55.803 -0.204 0.000 0.824 365 Q CB 2.648 31.259 28.738 -0.212 0.000 1.367 365 Q HN 0.933 nan 8.270 nan 0.000 0.443 366 T N -2.495 112.148 114.554 0.148 0.000 2.912 366 T HA 0.679 5.029 4.350 -0.001 0.000 0.288 366 T C -0.476 174.270 174.700 0.078 0.000 1.030 366 T CA -0.734 61.428 62.100 0.102 0.000 1.020 366 T CB 1.216 70.161 68.868 0.127 0.000 1.056 366 T HN 0.260 nan 8.240 nan 0.000 0.480 367 V N 3.062 122.992 119.914 0.025 0.000 2.370 367 V HA 0.379 4.498 4.120 -0.001 0.000 0.283 367 V C 0.384 176.481 176.094 0.005 0.000 1.023 367 V CA -0.901 61.406 62.300 0.012 0.000 0.857 367 V CB 1.016 32.838 31.823 -0.002 0.000 0.985 367 V HN 1.025 nan 8.190 nan 0.000 0.443 368 M N 4.941 124.551 119.600 0.017 0.000 2.248 368 M HA 0.093 4.572 4.480 -0.001 0.000 0.343 368 M C 0.896 177.197 176.300 0.001 0.000 1.243 368 M CA 0.719 56.031 55.300 0.021 0.000 1.025 368 M CB 0.611 33.222 32.600 0.019 0.000 1.759 368 M HN 0.927 nan 8.290 nan 0.000 0.452 369 S N 2.510 118.208 115.700 -0.003 0.000 2.573 369 S HA 0.077 4.547 4.470 -0.001 0.000 0.277 369 S C 1.001 175.598 174.600 -0.004 0.000 1.346 369 S CA -0.128 58.063 58.200 -0.016 0.000 1.034 369 S CB 0.569 63.755 63.200 -0.023 0.000 0.879 369 S HN 0.806 nan 8.310 nan 0.000 0.528 370 T N 1.785 116.333 114.554 -0.009 0.000 2.720 370 T HA -0.140 4.209 4.350 -0.001 0.000 0.268 370 T C 1.668 176.373 174.700 0.008 0.000 1.037 370 T CA 1.857 63.957 62.100 -0.000 0.000 1.144 370 T CB -0.496 68.369 68.868 -0.005 0.000 0.864 370 T HN 0.749 nan 8.240 nan 0.000 0.444 371 E N 0.588 120.789 120.200 0.002 0.000 2.058 371 E HA -0.097 4.252 4.350 -0.001 0.000 0.194 371 E C 2.288 178.903 176.600 0.026 0.000 0.997 371 E CA 0.983 57.388 56.400 0.008 0.000 0.801 371 E CB -0.290 29.408 29.700 -0.003 0.000 0.746 371 E HN 0.438 nan 8.360 nan 0.000 0.450 372 L N 0.735 121.976 121.223 0.029 0.000 2.056 372 L HA -0.174 4.165 4.340 -0.001 0.000 0.207 372 L C 2.453 179.362 176.870 0.065 0.000 1.078 372 L CA 0.435 55.308 54.840 0.054 0.000 0.749 372 L CB -0.246 41.845 42.059 0.052 0.000 0.901 372 L HN 0.186 nan 8.230 nan 0.000 0.433 373 I N -0.016 120.579 120.570 0.041 0.000 2.226 373 I HA -0.291 3.879 4.170 -0.001 0.000 0.245 373 I C 2.117 178.266 176.117 0.053 0.000 1.100 373 I CA 1.534 62.856 61.300 0.035 0.000 1.374 373 I CB -1.070 36.940 38.000 0.016 0.000 1.057 373 I HN 0.289 nan 8.210 nan 0.000 0.413 374 D N 0.640 121.070 120.400 0.049 0.000 2.178 374 D HA -0.134 4.506 4.640 -0.001 0.000 0.201 374 D C 2.364 178.713 176.300 0.081 0.000 0.980 374 D CA 1.605 55.638 54.000 0.055 0.000 0.842 374 D CB -0.078 40.744 40.800 0.038 0.000 0.948 374 D HN 0.370 nan 8.370 nan 0.000 0.472 375 S N -0.045 115.714 115.700 0.097 0.000 2.419 375 S HA -0.116 4.354 4.470 -0.001 0.000 0.233 375 S C 2.168 176.925 174.600 0.263 0.000 1.016 375 S CA 0.756 59.047 58.200 0.151 0.000 0.974 375 S CB -0.502 62.779 63.200 0.136 0.000 0.786 375 S HN 0.076 nan 8.310 nan 0.000 0.492 376 V N 3.083 123.128 119.914 0.218 0.000 2.392 376 V HA -0.179 3.941 4.120 -0.001 0.000 0.249 376 V C 2.254 178.501 176.094 0.256 0.000 1.059 376 V CA 2.204 64.663 62.300 0.265 0.000 1.051 376 V CB -0.798 31.086 31.823 0.103 0.000 0.658 376 V HN 0.825 nan 8.190 nan 0.000 0.455 377 K N 0.403 120.902 120.400 0.165 0.000 2.493 377 K HA 0.168 4.487 4.320 -0.001 0.000 0.207 377 K C 1.600 178.264 176.600 0.106 0.000 1.033 377 K CA 0.688 57.052 56.287 0.129 0.000 1.161 377 K CB 0.144 32.700 32.500 0.093 0.000 0.873 377 K HN 0.434 nan 8.250 nan 0.000 0.491 378 S N 0.800 116.577 115.700 0.127 0.000 2.419 378 S HA -0.162 4.307 4.470 -0.001 0.000 0.235 378 S C 0.946 175.557 174.600 0.019 0.000 1.019 378 S CA 1.254 59.488 58.200 0.056 0.000 0.982 378 S CB -0.223 62.989 63.200 0.019 0.000 0.789 378 S HN 0.312 nan 8.310 nan 0.000 0.490 379 D N 0.639 121.060 120.400 0.034 0.000 2.339 379 D HA 0.242 4.881 4.640 -0.001 0.000 0.217 379 D C 0.120 176.455 176.300 0.059 0.000 1.050 379 D CA 0.232 54.238 54.000 0.010 0.000 0.856 379 D CB 0.019 40.801 40.800 -0.029 0.000 0.922 379 D HN 0.373 nan 8.370 nan 0.000 0.518 380 M N 0.445 120.080 119.600 0.059 0.000 2.249 380 M HA 0.216 4.695 4.480 -0.001 0.000 0.351 380 M C 0.247 176.571 176.300 0.041 0.000 1.180 380 M CA 0.064 55.405 55.300 0.069 0.000 1.127 380 M CB 1.100 33.734 32.600 0.057 0.000 1.546 380 M HN -0.333 nan 8.290 nan 0.000 0.461 381 T N 4.501 119.073 114.554 0.030 0.000 2.756 381 T HA 0.671 5.020 4.350 -0.001 0.000 0.290 381 T C -0.019 174.655 174.700 -0.044 0.000 0.985 381 T CA -0.324 61.773 62.100 -0.004 0.000 0.955 381 T CB 0.359 69.222 68.868 -0.008 0.000 0.930 381 T HN 0.419 nan 8.240 nan 0.000 0.451 382 I N 3.411 123.953 120.570 -0.046 0.000 2.406 382 I HA 0.557 4.726 4.170 -0.001 0.000 0.290 382 I C 0.247 176.328 176.117 -0.059 0.000 0.999 382 I CA -0.696 60.548 61.300 -0.093 0.000 1.124 382 I CB 1.524 39.512 38.000 -0.020 0.000 1.289 382 I HN 0.280 nan 8.210 nan 0.000 0.441 383 R N 3.870 124.305 120.500 -0.108 0.000 2.771 383 R HA 0.751 5.090 4.340 -0.001 0.000 0.274 383 R C -0.123 176.184 176.300 0.011 0.000 0.987 383 R CA -0.019 56.059 56.100 -0.036 0.000 0.908 383 R CB 2.253 32.523 30.300 -0.049 0.000 1.213 383 R HN 0.844 nan 8.270 nan 0.000 0.468 384 G N 0.635 109.482 108.800 0.078 0.000 2.681 384 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.220 384 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.220 384 G C -0.832 174.216 174.900 0.247 0.000 1.353 384 G CA -0.052 45.133 45.100 0.142 0.000 0.872 384 G HN 0.740 nan 8.290 nan 0.000 0.557 385 T N 0.440 115.137 114.554 0.238 0.000 2.912 385 T HA 0.699 5.048 4.350 -0.001 0.000 0.299 385 T C -2.972 171.674 174.700 -0.091 0.000 1.052 385 T CA -0.748 61.428 62.100 0.127 0.000 0.996 385 T CB 2.211 71.107 68.868 0.046 0.000 1.070 385 T HN 0.517 nan 8.240 nan 0.000 0.465 386 P HA 0.274 nan 4.420 nan 0.000 0.265 386 P C 1.053 178.149 177.300 -0.339 0.000 1.187 386 P CA 1.491 64.091 63.100 -0.833 0.000 0.766 386 P CB 0.268 31.567 31.700 -0.667 0.000 0.820 387 G N 1.293 109.938 108.800 -0.259 0.000 2.205 387 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.261 387 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.261 387 G C -0.178 174.697 174.900 -0.042 0.000 0.980 387 G CA -0.057 44.978 45.100 -0.108 0.000 0.632 387 G HN 0.569 nan 8.290 nan 0.000 0.533 388 E N 0.788 120.978 120.200 -0.018 0.000 2.221 388 E HA 0.615 4.964 4.350 -0.001 0.000 0.268 388 E C 1.708 178.346 176.600 0.063 0.000 0.933 388 E CA -0.844 55.570 56.400 0.024 0.000 0.809 388 E CB 1.037 30.756 29.700 0.031 0.000 1.190 388 E HN -0.022 nan 8.360 nan 0.000 0.406 389 L N 0.590 121.840 121.223 0.046 0.000 2.113 389 L HA -0.295 4.044 4.340 -0.001 0.000 0.221 389 L C 2.039 178.947 176.870 0.063 0.000 1.084 389 L CA 2.668 57.536 54.840 0.046 0.000 0.787 389 L CB -2.882 39.194 42.059 0.029 0.000 0.893 389 L HN 0.736 nan 8.230 nan 0.000 0.440 390 T N -4.415 110.182 114.554 0.072 0.000 3.072 390 T HA -0.138 4.211 4.350 -0.001 0.000 0.266 390 T C 0.788 175.556 174.700 0.113 0.000 1.127 390 T CA -0.134 62.010 62.100 0.073 0.000 1.107 390 T CB -0.636 68.271 68.868 0.065 0.000 0.910 390 T HN 0.198 nan 8.240 nan 0.000 0.513 391 Y N 2.832 123.132 120.300 -0.001 0.000 2.544 391 Y HA 0.422 4.971 4.550 -0.001 0.000 0.330 391 Y C 0.194 176.095 175.900 0.001 0.000 1.136 391 Y CA -0.931 57.169 58.100 0.000 0.000 1.417 391 Y CB 0.320 38.779 38.460 -0.003 0.000 1.229 391 Y HN 0.168 nan 8.280 nan 0.000 0.532 392 S N 5.564 121.014 115.700 -0.416 0.000 2.647 392 S HA 0.687 5.156 4.470 -0.001 0.000 0.300 392 S C -1.885 172.420 174.600 -0.492 0.000 1.129 392 S CA -0.690 57.304 58.200 -0.344 0.000 1.029 392 S CB 0.599 63.705 63.200 -0.157 0.000 1.007 392 S HN 0.430 nan 8.310 nan 0.000 0.484 393 V N 5.197 124.884 119.914 -0.379 0.000 2.378 393 V HA 0.710 4.829 4.120 -0.001 0.000 0.288 393 V C 0.164 176.223 176.094 -0.058 0.000 1.016 393 V CA -0.387 61.779 62.300 -0.224 0.000 0.840 393 V CB 1.185 32.905 31.823 -0.171 0.000 0.994 393 V HN 1.027 nan 8.190 nan 0.000 0.431 394 T N 1.932 116.481 114.554 -0.007 0.000 2.864 394 T HA 0.886 5.235 4.350 -0.001 0.000 0.299 394 T C -1.009 173.779 174.700 0.146 0.000 1.166 394 T CA -0.742 61.383 62.100 0.041 0.000 1.007 394 T CB 2.449 71.294 68.868 -0.039 0.000 1.219 394 T HN 0.818 nan 8.240 nan 0.000 0.506 395 Y N -1.896 118.391 120.300 -0.021 0.000 2.705 395 Y HA 0.773 5.322 4.550 -0.001 0.000 0.332 395 Y C -1.078 174.812 175.900 -0.017 0.000 1.221 395 Y CA -1.325 56.765 58.100 -0.017 0.000 1.059 395 Y CB 0.779 39.236 38.460 -0.004 0.000 1.298 395 Y HN 0.647 nan 8.280 nan 0.000 0.459 396 T N 3.781 118.297 114.554 -0.064 0.000 2.801 396 T HA 0.412 4.762 4.350 -0.001 0.000 0.306 396 T C -2.875 171.787 174.700 -0.063 0.000 1.020 396 T CA -1.366 60.639 62.100 -0.158 0.000 0.948 396 T CB 0.688 69.525 68.868 -0.052 0.000 0.962 396 T HN 0.331 nan 8.240 nan 0.000 0.465 397 P HA 0.212 nan 4.420 nan 0.000 0.264 397 P C 1.134 178.458 177.300 0.039 0.000 1.193 397 P CA 0.869 63.993 63.100 0.039 0.000 0.763 397 P CB 0.342 32.022 31.700 -0.032 0.000 0.810 398 G N 2.159 111.003 108.800 0.074 0.000 2.179 398 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.260 398 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.260 398 G C 0.464 175.372 174.900 0.013 0.000 0.977 398 G CA -0.013 45.108 45.100 0.035 0.000 0.641 398 G HN 0.855 nan 8.290 nan 0.000 0.533 399 A N 0.740 123.569 122.820 0.015 0.000 2.520 399 A HA 0.612 4.931 4.320 -0.001 0.000 0.245 399 A C 1.797 179.368 177.584 -0.021 0.000 1.072 399 A CA 1.365 53.399 52.037 -0.005 0.000 0.761 399 A CB 0.290 19.289 19.000 -0.001 0.000 1.004 399 A HN 1.758 nan 8.150 nan 0.000 0.499 400 S N 1.687 117.371 115.700 -0.027 0.000 2.423 400 S HA -0.172 4.297 4.470 -0.001 0.000 0.231 400 S C 1.577 176.142 174.600 -0.057 0.000 1.014 400 S CA 1.689 59.866 58.200 -0.038 0.000 0.965 400 S CB -1.008 62.174 63.200 -0.031 0.000 0.785 400 S HN 1.209 nan 8.310 nan 0.000 0.495 401 T N -0.397 114.124 114.554 -0.055 0.000 3.072 401 T HA 0.080 4.429 4.350 -0.001 0.000 0.266 401 T C 0.587 175.223 174.700 -0.105 0.000 1.127 401 T CA 0.031 62.088 62.100 -0.071 0.000 1.107 401 T CB -0.806 68.029 68.868 -0.055 0.000 0.910 401 T HN 0.255 nan 8.240 nan 0.000 0.513 402 N N 2.121 120.758 118.700 -0.105 0.000 2.412 402 N HA 0.164 4.903 4.740 -0.001 0.000 0.258 402 N C 0.771 176.116 175.510 -0.276 0.000 1.236 402 N CA 0.048 53.003 53.050 -0.159 0.000 0.882 402 N CB 0.966 39.385 38.487 -0.113 0.000 1.066 402 N HN 0.245 nan 8.380 nan 0.000 0.465 403 K N 1.046 121.181 120.400 -0.443 0.000 2.366 403 K HA 0.062 4.382 4.320 -0.001 0.000 0.198 403 K C -0.096 175.922 176.600 -0.970 0.000 1.044 403 K CA 0.923 56.794 56.287 -0.692 0.000 0.973 403 K CB 0.121 32.110 32.500 -0.852 0.000 0.767 403 K HN 0.545 nan 8.250 nan 0.000 0.475 404 H N -0.938 117.800 119.070 -0.554 0.000 2.747 404 H HA 0.338 4.893 4.556 -0.001 0.000 0.371 404 H C -2.449 172.528 175.328 -0.585 0.000 1.161 404 H CA -2.972 52.568 56.048 -0.848 0.000 1.167 404 H CB 1.138 29.950 29.762 -1.584 0.000 1.732 404 H HN -0.190 nan 8.280 nan 0.000 0.544 405 P HA 0.010 nan 4.420 nan 0.000 0.272 405 P C 0.432 177.493 177.300 -0.398 0.000 1.240 405 P CA -0.221 62.640 63.100 -0.398 0.000 0.791 405 P CB 1.122 32.514 31.700 -0.512 0.000 0.978 406 D N 0.263 120.575 120.400 -0.147 0.000 2.149 406 D HA -0.148 4.492 4.640 -0.001 0.000 0.198 406 D C 1.900 178.203 176.300 0.006 0.000 0.990 406 D CA 1.285 55.289 54.000 0.007 0.000 0.839 406 D CB -0.526 40.379 40.800 0.175 0.000 0.948 406 D HN 0.615 nan 8.370 nan 0.000 0.460 407 W N 0.224 121.604 121.300 0.134 0.000 2.374 407 W HA -0.132 4.528 4.660 -0.001 0.000 0.288 407 W C 1.943 178.545 176.519 0.138 0.000 1.218 407 W CA 0.133 57.550 57.345 0.121 0.000 1.245 407 W CB -1.307 28.216 29.460 0.105 0.000 1.126 407 W HN 0.059 nan 8.180 nan 0.000 0.545 408 W N 3.475 124.309 121.300 -0.776 0.000 2.408 408 W HA -0.139 4.520 4.660 -0.001 0.000 0.311 408 W C 1.915 178.177 176.519 -0.428 0.000 1.190 408 W CA 1.584 58.494 57.345 -0.724 0.000 1.321 408 W CB -1.070 27.712 29.460 -1.131 0.000 1.143 408 W HN -0.143 nan 8.180 nan 0.000 0.501 409 N N 1.095 119.739 118.700 -0.094 0.000 2.104 409 N HA -0.228 4.512 4.740 -0.001 0.000 0.190 409 N C 1.523 176.714 175.510 -0.531 0.000 1.024 409 N CA 2.119 54.889 53.050 -0.466 0.000 0.853 409 N CB -0.749 37.102 38.487 -1.059 0.000 1.008 409 N HN 0.261 nan 8.380 nan 0.000 0.424 410 E N 1.382 121.423 120.200 -0.265 0.000 2.085 410 E HA -0.118 4.231 4.350 -0.001 0.000 0.194 410 E C 1.624 178.266 176.600 0.072 0.000 0.994 410 E CA 1.432 57.875 56.400 0.071 0.000 0.801 410 E CB 0.032 29.860 29.700 0.213 0.000 0.743 410 E HN 0.290 nan 8.360 nan 0.000 0.453 411 K N -0.514 119.919 120.400 0.055 0.000 2.057 411 K HA -0.094 4.226 4.320 -0.001 0.000 0.207 411 K C 2.147 178.755 176.600 0.013 0.000 1.049 411 K CA 1.389 57.702 56.287 0.043 0.000 0.931 411 K CB -0.172 32.341 32.500 0.022 0.000 0.714 411 K HN 0.013 nan 8.250 nan 0.000 0.440 412 V N 2.058 121.946 119.914 -0.043 0.000 2.295 412 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 412 V C 2.408 178.538 176.094 0.060 0.000 1.049 412 V CA 1.712 64.003 62.300 -0.016 0.000 1.024 412 V CB -0.428 31.385 31.823 -0.016 0.000 0.648 412 V HN 0.347 nan 8.190 nan 0.000 0.447 413 K N 0.202 120.628 120.400 0.044 0.000 2.032 413 K HA -0.238 4.081 4.320 -0.001 0.000 0.209 413 K C 1.999 178.658 176.600 0.098 0.000 1.048 413 K CA 1.993 58.339 56.287 0.099 0.000 0.927 413 K CB -0.259 32.365 32.500 0.207 0.000 0.712 413 K HN 0.440 nan 8.250 nan 0.000 0.441 414 N N 0.379 119.142 118.700 0.106 0.000 2.188 414 N HA -0.176 4.564 4.740 -0.001 0.000 0.184 414 N C 1.778 177.343 175.510 0.092 0.000 1.018 414 N CA 1.316 54.421 53.050 0.091 0.000 0.858 414 N CB -0.646 37.901 38.487 0.100 0.000 0.989 414 N HN 0.438 nan 8.380 nan 0.000 0.426 415 H N 0.767 119.862 119.070 0.041 0.000 2.290 415 H HA 0.075 4.630 4.556 -0.001 0.000 0.298 415 H C 2.069 177.441 175.328 0.073 0.000 1.087 415 H CA 1.815 57.896 56.048 0.054 0.000 1.291 415 H CB -0.130 29.577 29.762 -0.091 0.000 1.369 415 H HN 0.089 nan 8.280 nan 0.000 0.492 416 M N -1.088 118.497 119.600 -0.026 0.000 2.229 416 M HA -0.105 4.374 4.480 -0.001 0.000 0.264 416 M C 2.226 178.577 176.300 0.085 0.000 1.063 416 M CA 1.528 56.830 55.300 0.003 0.000 1.114 416 M CB -0.040 32.634 32.600 0.123 0.000 1.387 416 M HN 0.381 nan 8.290 nan 0.000 0.420 417 M N 0.274 119.906 119.600 0.055 0.000 2.236 417 M HA -0.119 4.361 4.480 -0.001 0.000 0.266 417 M C 1.792 178.087 176.300 -0.008 0.000 1.070 417 M CA 1.865 57.208 55.300 0.072 0.000 1.137 417 M CB -0.025 32.593 32.600 0.031 0.000 1.378 417 M HN 0.140 nan 8.290 nan 0.000 0.426 418 Q N -1.314 118.409 119.800 -0.129 0.000 2.398 418 Q HA 0.027 4.367 4.340 -0.001 0.000 0.204 418 Q C -0.159 175.502 176.000 -0.564 0.000 0.932 418 Q CA 0.561 56.172 55.803 -0.320 0.000 0.916 418 Q CB 0.337 28.844 28.738 -0.385 0.000 1.024 418 Q HN 0.518 nan 8.270 nan 0.000 0.504 419 H N 0.323 119.310 119.070 -0.139 0.000 2.379 419 H HA 0.196 4.751 4.556 -0.001 0.000 0.229 419 H C 0.039 175.275 175.328 -0.154 0.000 1.423 419 H CA -0.087 55.876 56.048 -0.142 0.000 1.375 419 H CB 0.553 30.158 29.762 -0.261 0.000 1.592 419 H HN 0.244 nan 8.280 nan 0.000 0.507 420 Q N 0.617 120.396 119.800 -0.034 0.000 2.436 420 Q HA -0.105 4.234 4.340 -0.001 0.000 0.209 420 Q C 1.870 177.803 176.000 -0.111 0.000 0.965 420 Q CA 0.788 56.520 55.803 -0.119 0.000 0.910 420 Q CB 0.460 29.075 28.738 -0.205 0.000 0.980 420 Q HN 0.507 nan 8.270 nan 0.000 0.491 421 E N 1.146 121.334 120.200 -0.019 0.000 2.358 421 E HA -0.109 4.241 4.350 -0.001 0.000 0.195 421 E C -0.269 176.357 176.600 0.043 0.000 1.010 421 E CA 0.548 56.952 56.400 0.007 0.000 0.856 421 E CB -0.031 29.695 29.700 0.043 0.000 0.795 421 E HN 0.158 nan 8.360 nan 0.000 0.504 422 D N 2.210 122.653 120.400 0.072 0.000 2.264 422 D HA 0.103 4.743 4.640 -0.001 0.000 0.250 422 D C -1.539 174.804 176.300 0.071 0.000 1.113 422 D CA -1.969 52.101 54.000 0.116 0.000 0.871 422 D CB 1.534 42.434 40.800 0.165 0.000 1.167 422 D HN -0.129 nan 8.370 nan 0.000 0.447 423 P HA 0.092 nan 4.420 nan 0.000 0.249 423 P C -0.183 177.156 177.300 0.065 0.000 1.229 423 P CA 0.193 63.326 63.100 0.055 0.000 0.788 423 P CB 0.416 32.141 31.700 0.042 0.000 1.072 424 L N 1.694 122.969 121.223 0.088 0.000 2.331 424 L HA 0.379 4.718 4.340 -0.001 0.000 0.275 424 L C -1.459 175.457 176.870 0.077 0.000 1.022 424 L CA -2.248 52.622 54.840 0.050 0.000 0.812 424 L CB 2.471 44.529 42.059 -0.002 0.000 1.257 424 L HN -0.295 nan 8.230 nan 0.000 0.435 425 P HA 0.121 nan 4.420 nan 0.000 0.261 425 P C 0.158 177.352 177.300 -0.176 0.000 1.268 425 P CA 0.421 63.540 63.100 0.032 0.000 0.833 425 P CB 0.432 32.149 31.700 0.029 0.000 1.231 426 I N 2.232 122.601 120.570 -0.336 0.000 2.371 426 I HA 0.222 4.391 4.170 -0.001 0.000 0.290 426 I C -2.156 173.459 176.117 -0.836 0.000 1.028 426 I CA -2.739 58.286 61.300 -0.458 0.000 1.345 426 I CB 0.655 38.471 38.000 -0.305 0.000 1.407 426 I HN -0.249 nan 8.210 nan 0.000 0.501 427 P HA -0.004 nan 4.420 nan 0.000 0.267 427 P C 0.299 177.349 177.300 -0.417 0.000 1.200 427 P CA 0.032 62.740 63.100 -0.654 0.000 0.772 427 P CB 0.343 31.903 31.700 -0.232 0.000 0.855 428 F N 0.770 120.591 119.950 -0.215 0.000 2.161 428 F HA -0.141 4.385 4.527 -0.001 0.000 0.300 428 F C 1.777 177.528 175.800 -0.081 0.000 1.089 428 F CA 1.622 59.544 58.000 -0.130 0.000 1.282 428 F CB -0.916 38.026 39.000 -0.097 0.000 1.010 428 F HN 0.407 nan 8.300 nan 0.000 0.485 429 E N -0.298 119.976 120.200 0.124 0.000 2.444 429 E HA -0.010 4.339 4.350 -0.001 0.000 0.191 429 E C -0.201 176.415 176.600 0.027 0.000 1.041 429 E CA -0.205 56.241 56.400 0.076 0.000 0.883 429 E CB -0.239 29.510 29.700 0.082 0.000 1.024 429 E HN 0.208 nan 8.360 nan 0.000 0.470 430 D N 2.679 123.070 120.400 -0.015 0.000 2.487 430 D HA 0.007 4.647 4.640 -0.001 0.000 0.243 430 D C -2.295 174.015 176.300 0.016 0.000 1.154 430 D CA -1.332 52.647 54.000 -0.035 0.000 0.876 430 D CB 0.758 41.495 40.800 -0.105 0.000 1.161 430 D HN -0.123 nan 8.370 nan 0.000 0.478 431 P HA 0.053 nan 4.420 nan 0.000 0.271 431 P C -0.333 177.074 177.300 0.178 0.000 1.233 431 P CA -0.328 62.861 63.100 0.148 0.000 0.789 431 P CB 0.362 32.166 31.700 0.175 0.000 0.951 432 E N 1.871 122.193 120.200 0.204 0.000 2.392 432 E HA 0.206 4.555 4.350 -0.001 0.000 0.256 432 E C -2.474 174.152 176.600 0.044 0.000 1.145 432 E CA -1.920 54.526 56.400 0.077 0.000 0.929 432 E CB -0.943 28.762 29.700 0.008 0.000 0.998 432 E HN 0.213 nan 8.360 nan 0.000 0.442 433 P HA 0.085 nan 4.420 nan 0.000 0.272 433 P C -0.521 176.778 177.300 -0.001 0.000 1.223 433 P CA -0.023 63.140 63.100 0.105 0.000 0.784 433 P CB 0.411 32.123 31.700 0.020 0.000 0.923 434 Q N 0.826 120.731 119.800 0.174 0.000 3.557 434 Q HA 0.293 4.632 4.340 -0.001 0.000 0.264 434 Q C -1.095 174.994 176.000 0.148 0.000 0.850 434 Q CA -0.288 55.488 55.803 -0.044 0.000 0.833 434 Q CB 1.088 29.557 28.738 -0.448 0.000 1.505 434 Q HN 0.180 nan 8.270 nan 0.000 0.402 435 V N 0.633 120.594 119.914 0.080 0.000 2.547 435 V HA 0.714 4.834 4.120 -0.001 0.000 0.299 435 V C 0.211 176.315 176.094 0.017 0.000 1.040 435 V CA -0.340 62.003 62.300 0.072 0.000 0.913 435 V CB 1.992 33.799 31.823 -0.026 0.000 0.992 435 V HN 0.417 nan 8.190 nan 0.000 0.449 436 T N 1.948 116.541 114.554 0.064 0.000 2.900 436 T HA 0.484 4.833 4.350 -0.001 0.000 0.303 436 T C -0.857 173.773 174.700 -0.116 0.000 1.142 436 T CA -0.329 61.752 62.100 -0.032 0.000 1.007 436 T CB 1.909 70.747 68.868 -0.049 0.000 1.156 436 T HN 0.793 nan 8.240 nan 0.000 0.490 437 T N 4.336 118.673 114.554 -0.362 0.000 2.772 437 T HA 0.604 4.953 4.350 -0.001 0.000 0.288 437 T C -0.114 174.447 174.700 -0.231 0.000 0.994 437 T CA -0.595 61.139 62.100 -0.609 0.000 0.951 437 T CB -0.171 67.898 68.868 -1.330 0.000 0.933 437 T HN 0.501 nan 8.240 nan 0.000 0.447 438 L N 4.442 125.610 121.223 -0.092 0.000 2.452 438 L HA 0.398 4.737 4.340 -0.001 0.000 0.267 438 L C 0.714 177.600 176.870 0.026 0.000 1.188 438 L CA -0.928 53.943 54.840 0.052 0.000 0.821 438 L CB 0.225 42.306 42.059 0.037 0.000 1.102 438 L HN 0.621 nan 8.230 nan 0.000 0.470 439 F N 2.894 122.778 119.950 -0.109 0.000 2.579 439 F HA -0.085 4.441 4.527 -0.001 0.000 0.397 439 F C 0.282 175.818 175.800 -0.438 0.000 1.027 439 F CA 0.629 58.468 58.000 -0.270 0.000 1.217 439 F CB 0.089 38.983 39.000 -0.177 0.000 0.986 439 F HN 0.394 nan 8.300 nan 0.000 0.551 440 Q N 6.762 126.033 119.800 -0.881 0.000 2.456 440 Q HA 0.269 4.608 4.340 -0.001 0.000 0.284 440 Q C -1.971 173.574 176.000 -0.759 0.000 1.061 440 Q CA -1.800 53.585 55.803 -0.697 0.000 0.799 440 Q CB 1.458 29.666 28.738 -0.884 0.000 1.445 440 Q HN 0.236 nan 8.270 nan 0.000 0.411 441 P HA -0.188 nan 4.420 nan 0.000 0.216 441 P C 1.104 178.185 177.300 -0.366 0.000 1.150 441 P CA 1.914 64.834 63.100 -0.299 0.000 0.843 441 P CB 0.228 31.847 31.700 -0.135 0.000 0.787 442 S N -1.647 113.840 115.700 -0.354 0.000 2.562 442 S HA -0.084 4.385 4.470 -0.001 0.000 0.221 442 S C 0.487 174.905 174.600 -0.304 0.000 0.975 442 S CA 0.109 58.177 58.200 -0.221 0.000 0.918 442 S CB -1.259 61.915 63.200 -0.043 0.000 0.772 442 S HN 0.443 nan 8.310 nan 0.000 0.531 443 H N -1.650 116.963 119.070 -0.760 0.000 2.643 443 H HA 0.432 4.988 4.556 -0.001 0.000 0.229 443 H C -3.237 170.912 175.328 -1.965 0.000 1.410 443 H CA -1.591 53.605 56.048 -1.419 0.000 1.458 443 H CB 0.226 29.476 29.762 -0.854 0.000 1.792 443 H HN 0.057 nan 8.280 nan 0.000 0.563 444 P HA 0.067 nan 4.420 nan 0.000 0.225 444 P C -1.193 175.457 177.300 -1.084 0.000 1.768 444 P CA 0.278 62.281 63.100 -1.828 0.000 0.943 444 P CB -1.101 30.115 31.700 -0.806 0.000 1.936 445 W N -0.669 120.273 121.300 -0.597 0.000 3.167 445 W HA 0.525 5.184 4.660 -0.001 0.000 0.324 445 W C -0.769 175.834 176.519 0.140 0.000 1.230 445 W CA -1.335 56.012 57.345 0.003 0.000 1.184 445 W CB 0.035 29.529 29.460 0.055 0.000 1.414 445 W HN -0.038 nan 8.180 nan 0.000 0.551 446 H N 1.119 120.471 119.070 0.469 0.000 2.551 446 H HA 0.654 5.209 4.556 -0.001 0.000 0.358 446 H C -0.084 175.416 175.328 0.287 0.000 1.151 446 H CA 0.566 56.794 56.048 0.300 0.000 1.374 446 H CB 1.386 31.274 29.762 0.210 0.000 1.473 446 H HN 0.581 nan 8.280 nan 0.000 0.574 447 T N 2.043 116.284 114.554 -0.523 0.000 2.893 447 T HA 0.520 4.870 4.350 -0.001 0.000 0.291 447 T C -0.799 173.606 174.700 -0.491 0.000 1.028 447 T CA -1.104 60.699 62.100 -0.495 0.000 0.995 447 T CB 1.651 70.111 68.868 -0.680 0.000 1.051 447 T HN 0.674 nan 8.240 nan 0.000 0.470 448 Q N 1.767 121.473 119.800 -0.156 0.000 2.274 448 Q HA 0.530 4.869 4.340 -0.001 0.000 0.268 448 Q C -1.259 174.621 176.000 -0.200 0.000 1.015 448 Q CA -0.552 55.068 55.803 -0.304 0.000 0.775 448 Q CB 2.509 30.948 28.738 -0.499 0.000 1.256 448 Q HN 0.719 nan 8.270 nan 0.000 0.442 449 I N 3.842 124.262 120.570 -0.250 0.000 2.495 449 I HA 0.378 4.547 4.170 -0.001 0.000 0.277 449 I C -0.384 175.622 176.117 -0.185 0.000 1.045 449 I CA -0.281 60.762 61.300 -0.428 0.000 1.135 449 I CB 0.368 37.986 38.000 -0.636 0.000 1.241 449 I HN 0.750 nan 8.210 nan 0.000 0.469 450 H N 3.765 122.647 119.070 -0.313 0.000 3.001 450 H HA 0.659 5.215 4.556 -0.001 0.000 0.266 450 H C -1.224 174.021 175.328 -0.139 0.000 1.532 450 H CA -1.356 54.578 56.048 -0.189 0.000 1.187 450 H CB 1.412 31.087 29.762 -0.145 0.000 1.881 450 H HN 0.116 nan 8.280 nan 0.000 0.643 451 R N 1.059 121.370 120.500 -0.315 0.000 2.628 451 R HA 0.301 4.640 4.340 -0.001 0.000 0.288 451 R C -1.453 174.579 176.300 -0.448 0.000 0.980 451 R CA -0.558 55.325 56.100 -0.362 0.000 0.891 451 R CB 1.928 32.154 30.300 -0.124 0.000 1.188 451 R HN 0.949 nan 8.270 nan 0.000 0.450 452 D N 0.180 120.354 120.400 -0.377 0.000 2.732 452 D HA 0.457 5.096 4.640 -0.001 0.000 0.292 452 D C -0.692 175.589 176.300 -0.031 0.000 1.135 452 D CA -0.772 53.100 54.000 -0.215 0.000 1.071 452 D CB 0.559 41.219 40.800 -0.233 0.000 1.457 452 D HN 0.404 nan 8.370 nan 0.000 0.547 453 A N -0.392 122.431 122.820 0.006 0.000 2.540 453 A HA 0.422 4.742 4.320 -0.001 0.000 0.239 453 A C -0.808 176.853 177.584 0.128 0.000 1.061 453 A CA 0.132 52.227 52.037 0.097 0.000 0.758 453 A CB -0.672 18.412 19.000 0.140 0.000 0.991 453 A HN 0.480 nan 8.150 nan 0.000 0.502 454 F N 1.580 121.481 119.950 -0.081 0.000 2.615 454 F HA 0.450 4.977 4.527 -0.001 0.000 0.312 454 F C 0.184 175.817 175.800 -0.278 0.000 1.119 454 F CA -0.294 57.546 58.000 -0.267 0.000 0.979 454 F CB 1.987 40.687 39.000 -0.500 0.000 1.266 454 F HN 0.547 nan 8.300 nan 0.000 0.444 455 S N 4.218 119.406 115.700 -0.854 0.000 2.642 455 S HA 0.383 4.852 4.470 -0.001 0.000 0.309 455 S C -1.020 173.310 174.600 -0.450 0.000 1.125 455 S CA -0.440 57.478 58.200 -0.470 0.000 1.055 455 S CB -0.644 62.312 63.200 -0.407 0.000 1.157 455 S HN 0.459 nan 8.310 nan 0.000 0.513 456 Y N 2.331 122.684 120.300 0.088 0.000 2.442 456 Y HA 0.432 4.981 4.550 -0.001 0.000 0.330 456 Y C 1.583 177.538 175.900 0.093 0.000 1.129 456 Y CA 0.291 58.525 58.100 0.224 0.000 1.365 456 Y CB 0.261 38.867 38.460 0.243 0.000 1.233 456 Y HN 0.821 nan 8.280 nan 0.000 0.529 457 G N 1.186 110.123 108.800 0.228 0.000 2.664 457 G HA2 0.244 4.204 3.960 -0.001 0.000 0.242 457 G HA3 0.244 4.204 3.960 -0.001 0.000 0.242 457 G C 0.885 175.874 174.900 0.147 0.000 1.225 457 G CA -0.065 45.120 45.100 0.141 0.000 0.849 457 G HN 0.900 nan 8.290 nan 0.000 0.581 458 A N 0.155 123.031 122.820 0.093 0.000 1.972 458 A HA 0.011 4.331 4.320 -0.001 0.000 0.219 458 A C 2.497 180.124 177.584 0.072 0.000 1.169 458 A CA 1.801 53.883 52.037 0.075 0.000 0.635 458 A CB -0.397 18.633 19.000 0.050 0.000 0.810 458 A HN 0.530 nan 8.150 nan 0.000 0.446 459 V N -0.148 119.811 119.914 0.075 0.000 2.379 459 V HA -0.275 3.845 4.120 -0.001 0.000 0.245 459 V C 2.579 178.720 176.094 0.078 0.000 1.044 459 V CA 2.086 64.425 62.300 0.065 0.000 1.036 459 V CB -0.836 31.023 31.823 0.059 0.000 0.664 459 V HN 0.630 nan 8.190 nan 0.000 0.453 460 Q N -0.376 119.499 119.800 0.126 0.000 2.124 460 Q HA -0.240 4.099 4.340 -0.001 0.000 0.202 460 Q C 2.200 178.243 176.000 0.071 0.000 0.977 460 Q CA 1.351 57.246 55.803 0.153 0.000 0.850 460 Q CB -0.203 28.734 28.738 0.331 0.000 0.901 460 Q HN 0.679 nan 8.270 nan 0.000 0.429 461 Q N -0.158 119.690 119.800 0.080 0.000 2.508 461 Q HA -0.086 4.253 4.340 -0.001 0.000 0.214 461 Q C 1.864 177.857 176.000 -0.012 0.000 0.979 461 Q CA 0.544 56.350 55.803 0.005 0.000 0.911 461 Q CB -0.023 28.744 28.738 0.049 0.000 0.969 461 Q HN 0.144 nan 8.270 nan 0.000 0.504 462 S N -0.097 115.607 115.700 0.007 0.000 2.453 462 S HA -0.022 4.447 4.470 -0.001 0.000 0.231 462 S C 0.764 175.356 174.600 -0.013 0.000 1.005 462 S CA 0.217 58.419 58.200 0.002 0.000 0.949 462 S CB 0.253 63.462 63.200 0.015 0.000 0.774 462 S HN 0.156 nan 8.310 nan 0.000 0.510 463 I N 2.758 123.309 120.570 -0.032 0.000 2.365 463 I HA 0.257 4.426 4.170 -0.001 0.000 0.291 463 I C 0.345 176.417 176.117 -0.075 0.000 1.004 463 I CA -0.951 60.323 61.300 -0.043 0.000 1.311 463 I CB 0.822 38.797 38.000 -0.042 0.000 1.401 463 I HN 0.152 nan 8.210 nan 0.000 0.491 464 D N 4.168 124.540 120.400 -0.045 0.000 2.487 464 D HA -0.064 4.576 4.640 -0.001 0.000 0.243 464 D C 1.259 177.514 176.300 -0.074 0.000 1.154 464 D CA 0.209 54.185 54.000 -0.041 0.000 0.876 464 D CB 1.187 41.986 40.800 -0.001 0.000 1.161 464 D HN 0.666 nan 8.370 nan 0.000 0.478 465 S N 4.431 120.075 115.700 -0.094 0.000 2.419 465 S HA -0.208 4.261 4.470 -0.001 0.000 0.235 465 S C 1.686 176.248 174.600 -0.064 0.000 1.019 465 S CA 0.685 58.812 58.200 -0.121 0.000 0.982 465 S CB -0.086 63.049 63.200 -0.107 0.000 0.789 465 S HN 0.569 nan 8.310 nan 0.000 0.490 466 R N 0.809 121.288 120.500 -0.035 0.000 2.200 466 R HA 0.123 4.463 4.340 -0.001 0.000 0.234 466 R C 1.923 178.201 176.300 -0.038 0.000 1.127 466 R CA 1.307 57.385 56.100 -0.037 0.000 0.989 466 R CB -0.582 29.689 30.300 -0.048 0.000 0.869 466 R HN 0.467 nan 8.270 nan 0.000 0.459 467 L N 0.292 121.495 121.223 -0.034 0.000 2.418 467 L HA 0.112 4.451 4.340 -0.001 0.000 0.218 467 L C 0.773 177.639 176.870 -0.006 0.000 1.125 467 L CA 0.188 55.017 54.840 -0.020 0.000 0.835 467 L CB 0.057 42.105 42.059 -0.018 0.000 0.953 467 L HN 0.059 nan 8.230 nan 0.000 0.454 468 I N 0.372 120.930 120.570 -0.020 0.000 2.365 468 I HA 0.208 4.377 4.170 -0.001 0.000 0.291 468 I C -0.554 175.572 176.117 0.014 0.000 1.004 468 I CA -0.331 60.971 61.300 0.002 0.000 1.311 468 I CB 1.582 39.567 38.000 -0.026 0.000 1.401 468 I HN -0.277 nan 8.210 nan 0.000 0.491 469 V N 4.836 124.779 119.914 0.048 0.000 2.656 469 V HA 0.319 4.438 4.120 -0.001 0.000 0.307 469 V C -0.779 175.308 176.094 -0.012 0.000 1.051 469 V CA -0.867 61.428 62.300 -0.010 0.000 0.893 469 V CB 2.103 33.920 31.823 -0.010 0.000 0.999 469 V HN 0.579 nan 8.190 nan 0.000 0.426 470 D N 2.653 122.975 120.400 -0.131 0.000 2.210 470 D HA 0.455 5.094 4.640 -0.001 0.000 0.249 470 D C -1.000 175.205 176.300 -0.158 0.000 1.078 470 D CA 0.107 54.058 54.000 -0.082 0.000 0.875 470 D CB 1.300 42.073 40.800 -0.046 0.000 1.175 470 D HN 0.444 nan 8.370 nan 0.000 0.440 471 W N 1.558 122.804 121.300 -0.090 0.000 2.538 471 W HA 0.449 5.109 4.660 -0.001 0.000 0.322 471 W C 0.216 176.744 176.519 0.015 0.000 1.028 471 W CA -0.854 56.480 57.345 -0.018 0.000 1.228 471 W CB 1.259 30.588 29.460 -0.218 0.000 1.356 471 W HN -0.062 nan 8.180 nan 0.000 0.452 472 R N 3.146 123.844 120.500 0.330 0.000 2.473 472 R HA 0.467 4.807 4.340 -0.001 0.000 0.303 472 R C -1.530 174.906 176.300 0.228 0.000 1.002 472 R CA -0.828 55.350 56.100 0.130 0.000 0.884 472 R CB 1.458 31.787 30.300 0.047 0.000 1.173 472 R HN 0.166 nan 8.270 nan 0.000 0.464 473 F N 3.077 122.860 119.950 -0.278 0.000 2.458 473 F HA 0.489 5.016 4.527 -0.001 0.000 0.336 473 F C -0.233 175.441 175.800 -0.209 0.000 1.114 473 F CA -1.548 56.382 58.000 -0.116 0.000 0.987 473 F CB 0.991 39.888 39.000 -0.172 0.000 1.130 473 F HN 0.291 nan 8.300 nan 0.000 0.458 474 F N 1.349 121.490 119.950 0.318 0.000 2.449 474 F HA 0.646 5.173 4.527 -0.001 0.000 0.342 474 F C 0.692 176.703 175.800 0.352 0.000 1.127 474 F CA -1.091 57.094 58.000 0.309 0.000 0.975 474 F CB 1.401 40.631 39.000 0.383 0.000 1.146 474 F HN 0.524 nan 8.300 nan 0.000 0.444 475 G N 2.177 111.230 108.800 0.423 0.000 2.477 475 G HA2 0.615 4.574 3.960 -0.001 0.000 0.304 475 G HA3 0.615 4.574 3.960 -0.001 0.000 0.304 475 G C -0.782 174.315 174.900 0.328 0.000 1.175 475 G CA -1.031 44.297 45.100 0.381 0.000 0.907 475 G HN 0.715 nan 8.290 nan 0.000 0.509 476 R N -0.834 119.855 120.500 0.316 0.000 2.486 476 R HA 0.674 5.014 4.340 -0.001 0.000 0.286 476 R C -1.006 175.393 176.300 0.164 0.000 0.999 476 R CA -0.588 55.619 56.100 0.178 0.000 0.993 476 R CB 1.312 31.728 30.300 0.194 0.000 1.084 476 R HN 0.268 nan 8.270 nan 0.000 0.487 477 T N 1.759 116.375 114.554 0.104 0.000 2.809 477 T HA 0.120 4.470 4.350 -0.001 0.000 0.284 477 T C -0.775 174.002 174.700 0.129 0.000 0.992 477 T CA -0.639 61.572 62.100 0.186 0.000 0.957 477 T CB 1.317 70.368 68.868 0.305 0.000 0.942 477 T HN 0.662 nan 8.240 nan 0.000 0.439 478 E N 4.657 124.937 120.200 0.133 0.000 2.465 478 E HA 0.061 4.410 4.350 -0.001 0.000 0.260 478 E C -2.111 174.565 176.600 0.126 0.000 0.980 478 E CA -1.457 55.011 56.400 0.114 0.000 0.927 478 E CB 0.511 30.270 29.700 0.099 0.000 0.934 478 E HN 0.197 nan 8.360 nan 0.000 0.459 479 P HA 0.094 nan 4.420 nan 0.000 0.276 479 P C -1.236 176.218 177.300 0.258 0.000 1.243 479 P CA 0.162 63.398 63.100 0.227 0.000 0.768 479 P CB 0.630 32.481 31.700 0.251 0.000 0.856 480 K N 2.722 123.219 120.400 0.163 0.000 2.443 480 K HA 0.166 4.486 4.320 -0.001 0.000 0.252 480 K C 0.942 177.380 176.600 -0.271 0.000 0.933 480 K CA -0.688 55.614 56.287 0.025 0.000 0.792 480 K CB 2.364 34.837 32.500 -0.044 0.000 1.185 480 K HN 0.452 nan 8.250 nan 0.000 0.425 481 E N 2.264 122.146 120.200 -0.530 0.000 2.160 481 E HA -0.225 4.125 4.350 -0.001 0.000 0.195 481 E C 0.988 177.331 176.600 -0.430 0.000 0.991 481 E CA 1.552 57.381 56.400 -0.953 0.000 0.810 481 E CB 0.480 29.842 29.700 -0.564 0.000 0.742 481 E HN 0.542 nan 8.360 nan 0.000 0.466 482 E N 0.369 120.426 120.200 -0.237 0.000 2.338 482 E HA -0.122 4.227 4.350 -0.001 0.000 0.197 482 E C 0.027 176.563 176.600 -0.107 0.000 1.007 482 E CA 0.367 56.681 56.400 -0.144 0.000 0.849 482 E CB -0.312 29.320 29.700 -0.113 0.000 0.774 482 E HN 0.087 nan 8.360 nan 0.000 0.506 483 N N 1.976 120.600 118.700 -0.127 0.000 2.406 483 N HA 0.185 4.924 4.740 -0.001 0.000 0.251 483 N C -0.763 174.801 175.510 0.089 0.000 1.069 483 N CA 0.122 53.151 53.050 -0.036 0.000 0.947 483 N CB 1.094 39.513 38.487 -0.112 0.000 1.111 483 N HN 0.106 nan 8.380 nan 0.000 0.497 484 K N 1.210 121.720 120.400 0.184 0.000 2.426 484 K HA 0.447 4.767 4.320 -0.001 0.000 0.251 484 K C -1.153 175.598 176.600 0.253 0.000 0.941 484 K CA -0.918 55.493 56.287 0.207 0.000 0.808 484 K CB 2.409 35.038 32.500 0.215 0.000 1.265 484 K HN 0.168 nan 8.250 nan 0.000 0.432 485 L N 4.279 125.600 121.223 0.162 0.000 2.298 485 L HA 0.557 4.897 4.340 -0.001 0.000 0.284 485 L C -1.240 175.559 176.870 -0.118 0.000 1.013 485 L CA -0.089 54.681 54.840 -0.117 0.000 0.824 485 L CB 0.423 42.421 42.059 -0.101 0.000 1.221 485 L HN 0.695 nan 8.230 nan 0.000 0.418 486 W N 3.695 124.698 121.300 -0.495 0.000 3.017 486 W HA 0.659 5.318 4.660 -0.001 0.000 0.341 486 W C -2.136 173.906 176.519 -0.796 0.000 1.180 486 W CA -1.210 55.892 57.345 -0.405 0.000 1.097 486 W CB 0.932 30.314 29.460 -0.131 0.000 1.468 486 W HN 0.326 nan 8.180 nan 0.000 0.584 487 F N 1.343 121.478 119.950 0.308 0.000 2.547 487 F HA 0.338 4.865 4.527 -0.001 0.000 0.316 487 F C 0.763 176.722 175.800 0.264 0.000 1.121 487 F CA -0.946 57.115 58.000 0.100 0.000 0.911 487 F CB 2.101 41.147 39.000 0.077 0.000 1.179 487 F HN 0.256 nan 8.300 nan 0.000 0.443 488 S N 1.053 116.893 115.700 0.234 0.000 2.560 488 S HA 0.023 4.493 4.470 -0.001 0.000 0.284 488 S C 0.809 175.559 174.600 0.249 0.000 1.327 488 S CA -0.372 57.995 58.200 0.278 0.000 1.055 488 S CB 0.349 63.620 63.200 0.118 0.000 0.868 488 S HN 0.705 nan 8.310 nan 0.000 0.506 489 D N 2.822 123.356 120.400 0.224 0.000 2.340 489 D HA 0.124 4.763 4.640 -0.001 0.000 0.220 489 D C 1.065 177.429 176.300 0.105 0.000 1.039 489 D CA 0.482 54.568 54.000 0.144 0.000 0.866 489 D CB 0.225 41.093 40.800 0.113 0.000 0.913 489 D HN 0.274 nan 8.370 nan 0.000 0.523 490 K N -0.307 120.159 120.400 0.110 0.000 2.412 490 K HA 0.195 4.514 4.320 -0.001 0.000 0.201 490 K C 0.370 177.012 176.600 0.071 0.000 1.275 490 K CA -0.022 56.313 56.287 0.081 0.000 0.910 490 K CB 0.952 33.501 32.500 0.081 0.000 1.346 490 K HN 0.056 nan 8.250 nan 0.000 0.490 491 I N 3.365 123.980 120.570 0.074 0.000 2.474 491 I HA 0.098 4.267 4.170 -0.001 0.000 0.287 491 I C 0.626 176.779 176.117 0.060 0.000 1.048 491 I CA 0.111 61.444 61.300 0.055 0.000 1.383 491 I CB 0.763 38.784 38.000 0.035 0.000 1.412 491 I HN 0.143 nan 8.210 nan 0.000 0.531 492 T N 1.264 115.850 114.554 0.053 0.000 2.908 492 T HA 0.573 4.922 4.350 -0.001 0.000 0.290 492 T C -0.340 174.396 174.700 0.060 0.000 1.034 492 T CA -0.938 61.200 62.100 0.063 0.000 1.010 492 T CB 2.395 71.297 68.868 0.055 0.000 1.068 492 T HN 0.557 nan 8.240 nan 0.000 0.481 493 D N 1.073 121.525 120.400 0.086 0.000 2.469 493 D HA 0.459 5.099 4.640 -0.001 0.000 0.278 493 D C 1.643 177.984 176.300 0.070 0.000 1.231 493 D CA -0.423 53.633 54.000 0.094 0.000 1.075 493 D CB -0.094 40.798 40.800 0.153 0.000 1.121 493 D HN 0.638 nan 8.370 nan 0.000 0.571 494 A N -1.474 121.384 122.820 0.062 0.000 2.121 494 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 494 A C 1.139 178.560 177.584 -0.273 0.000 1.154 494 A CA 0.870 52.850 52.037 -0.095 0.000 0.679 494 A CB -0.933 17.996 19.000 -0.118 0.000 0.795 494 A HN 0.543 nan 8.150 nan 0.000 0.458 495 Y N -1.294 119.022 120.300 0.027 0.000 2.658 495 Y HA 0.256 4.806 4.550 -0.001 0.000 0.276 495 Y C 0.730 176.654 175.900 0.039 0.000 1.167 495 Y CA -0.274 57.844 58.100 0.029 0.000 1.230 495 Y CB -0.447 38.013 38.460 -0.000 0.000 1.144 495 Y HN 0.448 nan 8.280 nan 0.000 0.529 496 N N -0.078 118.687 118.700 0.109 0.000 2.747 496 N HA -0.172 4.568 4.740 -0.001 0.000 0.249 496 N C -0.653 174.907 175.510 0.083 0.000 1.107 496 N CA 0.488 53.584 53.050 0.077 0.000 0.707 496 N CB -0.429 38.092 38.487 0.055 0.000 1.054 496 N HN 0.127 nan 8.380 nan 0.000 0.555 497 M N -0.311 119.353 119.600 0.107 0.000 2.598 497 M HA 0.445 4.925 4.480 -0.001 0.000 0.317 497 M C -2.164 174.195 176.300 0.099 0.000 1.201 497 M CA -2.030 53.321 55.300 0.085 0.000 0.971 497 M CB 0.731 33.381 32.600 0.083 0.000 1.657 497 M HN -0.261 nan 8.290 nan 0.000 0.470 498 P HA 0.004 nan 4.420 nan 0.000 0.264 498 P C -0.676 176.776 177.300 0.253 0.000 1.193 498 P CA 0.061 63.253 63.100 0.152 0.000 0.763 498 P CB 0.254 32.042 31.700 0.147 0.000 0.810 499 Q N 6.962 126.861 119.800 0.166 0.000 2.286 499 Q HA 0.168 4.507 4.340 -0.001 0.000 0.267 499 Q C -2.225 173.756 176.000 -0.031 0.000 1.028 499 Q CA -2.067 53.783 55.803 0.079 0.000 0.901 499 Q CB -0.145 28.589 28.738 -0.007 0.000 1.183 499 Q HN 0.299 nan 8.270 nan 0.000 0.392 500 P HA 0.067 nan 4.420 nan 0.000 0.268 500 P C -1.027 175.797 177.300 -0.794 0.000 1.205 500 P CA -0.071 62.639 63.100 -0.650 0.000 0.771 500 P CB 0.939 32.362 31.700 -0.462 0.000 0.858 501 T N 2.875 116.719 114.554 -1.184 0.000 2.971 501 T HA 0.470 4.819 4.350 -0.001 0.000 0.304 501 T C -0.612 173.402 174.700 -1.143 0.000 1.038 501 T CA -0.134 61.272 62.100 -1.157 0.000 1.007 501 T CB 0.465 68.325 68.868 -1.680 0.000 1.055 501 T HN 0.068 nan 8.240 nan 0.000 0.451 502 F N 1.975 121.654 119.950 -0.451 0.000 2.399 502 F HA 0.520 5.046 4.527 -0.001 0.000 0.334 502 F C 0.700 176.460 175.800 -0.066 0.000 1.097 502 F CA -0.931 56.936 58.000 -0.221 0.000 1.076 502 F CB 1.052 39.966 39.000 -0.143 0.000 1.162 502 F HN 0.402 nan 8.300 nan 0.000 0.495 503 D N 3.493 124.070 120.400 0.294 0.000 2.408 503 D HA 0.222 4.862 4.640 -0.001 0.000 0.261 503 D C -1.753 174.682 176.300 0.225 0.000 1.190 503 D CA -0.103 54.053 54.000 0.260 0.000 0.910 503 D CB 0.266 41.243 40.800 0.295 0.000 1.097 503 D HN 0.298 nan 8.370 nan 0.000 0.522 504 F N 3.198 123.147 119.950 -0.001 0.000 2.569 504 F HA 0.577 5.103 4.527 -0.001 0.000 0.312 504 F C -1.087 174.610 175.800 -0.172 0.000 1.109 504 F CA -0.613 57.318 58.000 -0.115 0.000 0.919 504 F CB 1.384 40.254 39.000 -0.218 0.000 1.211 504 F HN 0.014 nan 8.300 nan 0.000 0.446 505 R N 4.191 124.193 120.500 -0.830 0.000 2.740 505 R HA 0.352 4.691 4.340 -0.001 0.000 0.273 505 R C -1.645 174.058 176.300 -0.995 0.000 0.998 505 R CA -0.976 54.749 56.100 -0.625 0.000 0.900 505 R CB 1.727 31.863 30.300 -0.273 0.000 1.223 505 R HN 0.571 nan 8.270 nan 0.000 0.466 506 F N 2.853 122.607 119.950 -0.326 0.000 2.571 506 F HA 0.155 4.681 4.527 -0.001 0.000 0.384 506 F C -1.324 174.362 175.800 -0.190 0.000 1.058 506 F CA -1.096 56.784 58.000 -0.199 0.000 1.200 506 F CB -0.190 38.805 39.000 -0.008 0.000 1.077 506 F HN 0.123 nan 8.300 nan 0.000 0.558 507 P HA 0.092 nan 4.420 nan 0.000 0.266 507 P C -0.486 176.830 177.300 0.027 0.000 1.195 507 P CA -0.135 62.947 63.100 -0.031 0.000 0.768 507 P CB 0.511 32.206 31.700 -0.009 0.000 0.838 508 A N 2.885 125.707 122.820 0.004 0.000 2.429 508 A HA 0.511 4.830 4.320 -0.001 0.000 0.242 508 A C 1.184 178.785 177.584 0.028 0.000 1.088 508 A CA 0.848 52.893 52.037 0.014 0.000 0.784 508 A CB -1.056 17.945 19.000 0.001 0.000 1.038 508 A HN 0.843 nan 8.150 nan 0.000 0.501 509 G N 0.009 108.827 108.800 0.031 0.000 2.496 509 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.243 509 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.243 509 G C 1.051 175.983 174.900 0.055 0.000 1.176 509 G CA 0.802 45.925 45.100 0.039 0.000 0.940 509 G HN 1.038 nan 8.290 nan 0.000 0.573 510 R N -0.172 120.366 120.500 0.064 0.000 2.091 510 R HA -0.096 4.243 4.340 -0.001 0.000 0.238 510 R C 2.824 179.184 176.300 0.101 0.000 1.136 510 R CA 2.781 58.929 56.100 0.081 0.000 0.959 510 R CB -0.918 29.432 30.300 0.083 0.000 0.856 510 R HN 0.631 nan 8.270 nan 0.000 0.437 511 T N 0.029 114.646 114.554 0.104 0.000 2.684 511 T HA -0.112 4.237 4.350 -0.001 0.000 0.267 511 T C 1.938 176.697 174.700 0.098 0.000 1.036 511 T CA 1.811 63.989 62.100 0.130 0.000 1.148 511 T CB -0.175 68.791 68.868 0.164 0.000 0.863 511 T HN 0.272 nan 8.240 nan 0.000 0.436 512 S N 0.551 116.293 115.700 0.070 0.000 2.371 512 S HA -0.027 4.442 4.470 -0.001 0.000 0.224 512 S C 2.023 176.640 174.600 0.028 0.000 1.029 512 S CA 1.009 59.223 58.200 0.024 0.000 0.978 512 S CB -0.182 63.026 63.200 0.014 0.000 0.833 512 S HN 0.509 nan 8.310 nan 0.000 0.466 513 K N 1.416 121.848 120.400 0.054 0.000 2.009 513 K HA -0.151 4.168 4.320 -0.001 0.000 0.210 513 K C 1.946 178.607 176.600 0.102 0.000 1.049 513 K CA 1.608 57.935 56.287 0.067 0.000 0.929 513 K CB -0.163 32.380 32.500 0.072 0.000 0.714 513 K HN 0.332 nan 8.250 nan 0.000 0.440 514 E N -0.175 120.112 120.200 0.145 0.000 2.110 514 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 514 E C 1.951 178.650 176.600 0.164 0.000 0.988 514 E CA 0.993 57.539 56.400 0.244 0.000 0.804 514 E CB -0.119 29.756 29.700 0.291 0.000 0.745 514 E HN 0.480 nan 8.360 nan 0.000 0.458 515 A N 1.256 124.139 122.820 0.105 0.000 1.933 515 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 515 A C 2.065 179.723 177.584 0.124 0.000 1.175 515 A CA 1.688 53.782 52.037 0.095 0.000 0.628 515 A CB -0.296 18.721 19.000 0.029 0.000 0.814 515 A HN 0.123 nan 8.150 nan 0.000 0.444 516 E N 0.538 120.792 120.200 0.090 0.000 2.072 516 E HA -0.134 4.216 4.350 -0.001 0.000 0.190 516 E C 1.320 177.906 176.600 -0.024 0.000 0.982 516 E CA 1.412 57.862 56.400 0.085 0.000 0.803 516 E CB -0.307 29.421 29.700 0.046 0.000 0.755 516 E HN 0.490 nan 8.360 nan 0.000 0.453 517 D N -0.015 120.372 120.400 -0.021 0.000 2.149 517 D HA -0.198 4.441 4.640 -0.001 0.000 0.198 517 D C 1.915 177.979 176.300 -0.394 0.000 0.990 517 D CA 1.276 55.251 54.000 -0.043 0.000 0.839 517 D CB -0.317 40.590 40.800 0.179 0.000 0.948 517 D HN 0.322 nan 8.370 nan 0.000 0.460 518 M N -0.355 118.795 119.600 -0.749 0.000 2.132 518 M HA -0.189 4.291 4.480 -0.001 0.000 0.263 518 M C 2.056 177.945 176.300 -0.685 0.000 1.065 518 M CA 1.169 55.692 55.300 -1.295 0.000 1.122 518 M CB 0.007 32.050 32.600 -0.929 0.000 1.365 518 M HN -0.036 nan 8.290 nan 0.000 0.411 519 M N 0.429 119.752 119.600 -0.463 0.000 2.065 519 M HA -0.175 4.304 4.480 -0.001 0.000 0.259 519 M C 1.795 177.890 176.300 -0.341 0.000 1.069 519 M CA 2.500 57.533 55.300 -0.444 0.000 1.110 519 M CB -1.011 31.400 32.600 -0.316 0.000 1.328 519 M HN 0.274 nan 8.290 nan 0.000 0.405 520 T N -0.115 114.305 114.554 -0.224 0.000 2.746 520 T HA -0.165 4.185 4.350 -0.001 0.000 0.267 520 T C 1.495 176.126 174.700 -0.116 0.000 1.039 520 T CA 1.784 63.803 62.100 -0.134 0.000 1.142 520 T CB -0.614 68.219 68.868 -0.057 0.000 0.866 520 T HN 0.546 nan 8.240 nan 0.000 0.444 521 D N 0.489 120.817 120.400 -0.120 0.000 2.144 521 D HA -0.048 4.591 4.640 -0.001 0.000 0.199 521 D C 2.063 178.379 176.300 0.026 0.000 0.984 521 D CA 0.770 54.817 54.000 0.078 0.000 0.834 521 D CB -0.220 40.727 40.800 0.246 0.000 0.955 521 D HN 0.290 nan 8.370 nan 0.000 0.465 522 M N -0.525 118.865 119.600 -0.351 0.000 2.086 522 M HA -0.184 4.296 4.480 -0.001 0.000 0.261 522 M C 1.966 177.978 176.300 -0.480 0.000 1.067 522 M CA 1.395 56.210 55.300 -0.807 0.000 1.116 522 M CB -0.165 31.729 32.600 -1.178 0.000 1.348 522 M HN 0.194 nan 8.290 nan 0.000 0.407 523 C N -0.407 118.711 119.300 -0.303 0.000 2.429 523 C HA -0.115 4.344 4.460 -0.001 0.000 0.277 523 C C 2.664 177.558 174.990 -0.160 0.000 1.262 523 C CA 0.912 59.853 59.018 -0.128 0.000 1.733 523 C CB -1.003 26.713 27.740 -0.040 0.000 2.010 523 C HN 0.506 nan 8.230 nan 0.000 0.483 524 V N 0.518 120.370 119.914 -0.103 0.000 2.307 524 V HA -0.279 3.840 4.120 -0.001 0.000 0.245 524 V C 2.395 178.467 176.094 -0.037 0.000 1.045 524 V CA 2.247 64.516 62.300 -0.050 0.000 1.024 524 V CB -0.671 31.173 31.823 0.035 0.000 0.651 524 V HN 0.583 nan 8.190 nan 0.000 0.449 525 M N 0.781 120.401 119.600 0.034 0.000 2.132 525 M HA -0.158 4.322 4.480 -0.001 0.000 0.263 525 M C 2.475 178.660 176.300 -0.191 0.000 1.065 525 M CA 2.282 57.678 55.300 0.160 0.000 1.122 525 M CB -0.201 32.650 32.600 0.417 0.000 1.365 525 M HN 0.552 nan 8.290 nan 0.000 0.411 526 S N 0.530 115.792 115.700 -0.730 0.000 2.399 526 S HA -0.067 4.402 4.470 -0.001 0.000 0.231 526 S C 1.955 176.161 174.600 -0.657 0.000 1.022 526 S CA 0.998 58.351 58.200 -1.412 0.000 0.983 526 S CB -0.832 61.292 63.200 -1.793 0.000 0.803 526 S HN 0.571 nan 8.310 nan 0.000 0.480 527 A N 1.898 124.440 122.820 -0.464 0.000 2.070 527 A HA 0.002 4.321 4.320 -0.001 0.000 0.220 527 A C 2.152 179.612 177.584 -0.206 0.000 1.159 527 A CA 1.336 53.158 52.037 -0.359 0.000 0.656 527 A CB -0.527 18.286 19.000 -0.312 0.000 0.800 527 A HN 0.648 nan 8.150 nan 0.000 0.453 528 K N -0.679 119.644 120.400 -0.129 0.000 2.288 528 K HA 0.040 4.359 4.320 -0.001 0.000 0.201 528 K C 1.161 177.756 176.600 -0.007 0.000 1.048 528 K CA 0.741 57.000 56.287 -0.047 0.000 0.956 528 K CB 0.020 32.532 32.500 0.019 0.000 0.746 528 K HN 0.395 nan 8.250 nan 0.000 0.461 529 I N -0.730 119.850 120.570 0.017 0.000 3.039 529 I HA 0.161 4.330 4.170 -0.001 0.000 0.270 529 I C 1.115 177.248 176.117 0.027 0.000 1.150 529 I CA 0.605 61.963 61.300 0.096 0.000 1.448 529 I CB -0.077 38.125 38.000 0.336 0.000 1.197 529 I HN 0.109 nan 8.210 nan 0.000 0.450 530 G N -0.696 108.065 108.800 -0.064 0.000 2.356 530 G HA2 0.460 4.420 3.960 -0.001 0.000 0.294 530 G HA3 0.460 4.420 3.960 -0.001 0.000 0.294 530 G C -0.658 174.098 174.900 -0.239 0.000 1.423 530 G CA -0.171 44.866 45.100 -0.104 0.000 0.806 530 G HN 0.293 nan 8.290 nan 0.000 0.527 531 G N -1.102 107.554 108.800 -0.239 0.000 2.537 531 G HA2 0.552 4.511 3.960 -0.001 0.000 0.273 531 G HA3 0.552 4.511 3.960 -0.001 0.000 0.273 531 G C -0.235 174.491 174.900 -0.291 0.000 1.189 531 G CA -0.535 44.334 45.100 -0.385 0.000 0.881 531 G HN 0.463 nan 8.290 nan 0.000 0.535 532 F N -0.625 119.228 119.950 -0.161 0.000 2.563 532 F HA 0.167 4.693 4.527 -0.001 0.000 0.363 532 F C 0.736 176.474 175.800 -0.103 0.000 1.123 532 F CA -0.752 57.148 58.000 -0.168 0.000 1.307 532 F CB 0.543 39.436 39.000 -0.179 0.000 1.115 532 F HN 0.161 nan 8.300 nan 0.000 0.592 533 L N 6.337 127.626 121.223 0.110 0.000 2.369 533 L HA 0.388 4.728 4.340 -0.001 0.000 0.279 533 L C -2.365 174.548 176.870 0.070 0.000 1.108 533 L CA -1.937 52.943 54.840 0.067 0.000 0.852 533 L CB -0.012 42.080 42.059 0.054 0.000 1.169 533 L HN 0.281 nan 8.230 nan 0.000 0.452 534 P HA 0.180 nan 4.420 nan 0.000 0.264 534 P C 0.672 178.019 177.300 0.078 0.000 1.183 534 P CA 1.001 64.138 63.100 0.061 0.000 0.763 534 P CB 0.626 32.357 31.700 0.053 0.000 0.807 535 G N 2.018 110.859 108.800 0.069 0.000 2.225 535 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.254 535 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.254 535 G C 0.485 175.467 174.900 0.137 0.000 0.988 535 G CA 0.239 45.400 45.100 0.101 0.000 0.625 535 G HN 0.531 nan 8.290 nan 0.000 0.527 536 S N 0.719 116.470 115.700 0.085 0.000 2.617 536 S HA 0.520 4.990 4.470 -0.001 0.000 0.237 536 S C 0.433 174.937 174.600 -0.161 0.000 1.142 536 S CA -0.532 57.697 58.200 0.048 0.000 1.167 536 S CB 0.276 63.470 63.200 -0.010 0.000 1.068 536 S HN 0.458 nan 8.310 nan 0.000 0.470 537 L N 2.668 123.793 121.223 -0.164 0.000 2.453 537 L HA 0.374 4.714 4.340 -0.001 0.000 0.261 537 L C -2.018 174.560 176.870 -0.488 0.000 1.179 537 L CA -2.274 52.332 54.840 -0.390 0.000 0.813 537 L CB 0.054 41.954 42.059 -0.265 0.000 1.110 537 L HN 0.073 nan 8.230 nan 0.000 0.466 538 P HA -0.003 nan 4.420 nan 0.000 0.264 538 P C -1.447 175.630 177.300 -0.371 0.000 1.193 538 P CA 0.122 62.835 63.100 -0.645 0.000 0.763 538 P CB 0.495 31.721 31.700 -0.790 0.000 0.810 539 Q N 1.696 121.324 119.800 -0.286 0.000 2.472 539 Q HA 0.481 4.821 4.340 -0.001 0.000 0.281 539 Q C -1.478 174.392 176.000 -0.217 0.000 0.997 539 Q CA -0.890 54.825 55.803 -0.147 0.000 0.828 539 Q CB 0.708 29.431 28.738 -0.025 0.000 1.443 539 Q HN 0.095 nan 8.270 nan 0.000 0.390 540 F N 1.518 121.415 119.950 -0.088 0.000 2.412 540 F HA 0.318 4.844 4.527 -0.001 0.000 0.348 540 F C 0.596 176.362 175.800 -0.056 0.000 1.102 540 F CA -0.291 57.656 58.000 -0.088 0.000 1.196 540 F CB 1.013 39.953 39.000 -0.101 0.000 1.144 540 F HN 0.402 nan 8.300 nan 0.000 0.541 541 M N 1.831 121.482 119.600 0.085 0.000 2.255 541 M HA 0.120 4.599 4.480 -0.001 0.000 0.336 541 M C 0.261 176.602 176.300 0.067 0.000 1.135 541 M CA -0.476 54.841 55.300 0.028 0.000 1.145 541 M CB 0.687 33.256 32.600 -0.052 0.000 1.473 541 M HN 0.599 nan 8.290 nan 0.000 0.462 542 E N 3.176 123.391 120.200 0.024 0.000 2.608 542 E HA -0.031 4.318 4.350 -0.001 0.000 0.259 542 E C -2.148 174.471 176.600 0.032 0.000 0.951 542 E CA -1.062 55.350 56.400 0.021 0.000 0.945 542 E CB 0.316 30.004 29.700 -0.020 0.000 0.916 542 E HN 0.196 nan 8.360 nan 0.000 0.477 543 P HA 0.023 nan 4.420 nan 0.000 0.263 543 P C 0.370 177.605 177.300 -0.109 0.000 1.195 543 P CA 1.152 64.292 63.100 0.067 0.000 0.762 543 P CB 0.665 32.385 31.700 0.033 0.000 0.799 544 G N 2.548 111.283 108.800 -0.109 0.000 2.225 544 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.254 544 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.254 544 G C 0.783 175.628 174.900 -0.092 0.000 0.988 544 G CA 0.198 45.193 45.100 -0.175 0.000 0.625 544 G HN 0.515 nan 8.290 nan 0.000 0.527 545 L N 1.025 122.212 121.223 -0.060 0.000 2.127 545 L HA 0.099 4.438 4.340 -0.001 0.000 0.211 545 L C 2.896 179.742 176.870 -0.040 0.000 1.089 545 L CA 2.464 57.273 54.840 -0.052 0.000 0.757 545 L CB -0.470 41.554 42.059 -0.059 0.000 0.899 545 L HN 0.532 nan 8.230 nan 0.000 0.434 546 V N -0.071 119.823 119.914 -0.034 0.000 2.453 546 V HA -0.225 3.894 4.120 -0.001 0.000 0.252 546 V C 1.568 177.584 176.094 -0.130 0.000 1.068 546 V CA 1.507 63.767 62.300 -0.066 0.000 1.070 546 V CB -0.264 31.557 31.823 -0.004 0.000 0.664 546 V HN 0.495 nan 8.190 nan 0.000 0.461 547 L N -0.045 121.168 121.223 -0.016 0.000 3.548 547 L HA -0.239 4.101 4.340 -0.001 0.000 0.443 547 L C 0.321 177.355 176.870 0.272 0.000 1.286 547 L CA 0.906 55.797 54.840 0.086 0.000 0.863 547 L CB -2.508 39.609 42.059 0.098 0.000 1.734 547 L HN 0.590 nan 8.230 nan 0.000 0.873 548 H N -0.691 118.472 119.070 0.155 0.000 2.467 548 H HA 0.275 4.831 4.556 -0.001 0.000 0.275 548 H C 0.503 175.960 175.328 0.216 0.000 1.131 548 H CA -1.020 55.162 56.048 0.223 0.000 0.989 548 H CB 0.745 30.676 29.762 0.282 0.000 1.696 548 H HN 0.210 nan 8.280 nan 0.000 0.574 549 L N 2.003 123.367 121.223 0.235 0.000 2.513 549 L HA 0.208 4.548 4.340 -0.001 0.000 0.272 549 L C 0.603 177.597 176.870 0.207 0.000 1.187 549 L CA 0.674 55.602 54.840 0.147 0.000 0.895 549 L CB 0.322 42.426 42.059 0.075 0.000 1.147 549 L HN 0.261 nan 8.230 nan 0.000 0.483 550 G N 1.972 110.908 108.800 0.227 0.000 2.730 550 G HA2 0.536 4.495 3.960 -0.001 0.000 0.289 550 G HA3 0.536 4.495 3.960 -0.001 0.000 0.289 550 G C 0.332 175.334 174.900 0.170 0.000 1.341 550 G CA -0.320 44.933 45.100 0.255 0.000 0.932 550 G HN 1.276 nan 8.290 nan 0.000 0.481 551 G N -1.200 107.669 108.800 0.114 0.000 2.184 551 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.264 551 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.264 551 G C 1.354 176.320 174.900 0.110 0.000 0.975 551 G CA 1.574 46.749 45.100 0.125 0.000 0.642 551 G HN 1.861 nan 8.290 nan 0.000 0.536 552 T N -1.947 112.626 114.554 0.033 0.000 2.995 552 T HA 0.131 4.480 4.350 -0.001 0.000 0.269 552 T C 1.069 175.858 174.700 0.149 0.000 1.091 552 T CA 1.854 64.015 62.100 0.102 0.000 1.128 552 T CB -0.277 68.656 68.868 0.108 0.000 0.891 552 T HN 1.506 nan 8.240 nan 0.000 0.492 553 H N -0.100 119.044 119.070 0.124 0.000 2.597 553 H HA 0.471 5.027 4.556 -0.001 0.000 0.225 553 H C -0.141 175.231 175.328 0.073 0.000 1.422 553 H CA -1.344 54.754 56.048 0.082 0.000 1.335 553 H CB -0.291 29.484 29.762 0.023 0.000 1.783 553 H HN 0.356 nan 8.280 nan 0.000 0.513 554 R N 0.828 121.417 120.500 0.148 0.000 2.582 554 R HA 0.317 4.657 4.340 -0.001 0.000 0.271 554 R C -0.338 176.023 176.300 0.102 0.000 1.078 554 R CA -0.760 55.398 56.100 0.096 0.000 1.127 554 R CB 1.025 31.376 30.300 0.086 0.000 1.038 554 R HN 0.477 nan 8.270 nan 0.000 0.500 555 M N 1.549 121.184 119.600 0.059 0.000 2.274 555 M HA 0.423 4.903 4.480 -0.001 0.000 0.344 555 M C -0.479 175.819 176.300 -0.004 0.000 1.161 555 M CA 0.347 55.659 55.300 0.020 0.000 1.126 555 M CB 1.429 34.016 32.600 -0.021 0.000 1.522 555 M HN 0.953 nan 8.290 nan 0.000 0.461 556 G N 2.269 111.073 108.800 0.008 0.000 2.559 556 G HA2 0.406 4.365 3.960 -0.001 0.000 0.291 556 G HA3 0.406 4.365 3.960 -0.001 0.000 0.291 556 G C -0.931 173.973 174.900 0.007 0.000 1.424 556 G CA -0.700 44.364 45.100 -0.061 0.000 0.786 556 G HN 0.668 nan 8.290 nan 0.000 0.485 557 F N -0.062 119.987 119.950 0.164 0.000 2.234 557 F HA 0.251 4.778 4.527 -0.001 0.000 0.296 557 F C 1.203 177.117 175.800 0.190 0.000 1.089 557 F CA 0.988 59.086 58.000 0.163 0.000 1.343 557 F CB 0.572 39.627 39.000 0.092 0.000 1.040 557 F HN 0.290 nan 8.300 nan 0.000 0.498 558 D N -0.409 120.136 120.400 0.242 0.000 2.863 558 D HA 0.051 4.690 4.640 -0.001 0.000 0.245 558 D C 0.600 176.730 176.300 -0.284 0.000 1.211 558 D CA -0.092 53.891 54.000 -0.027 0.000 0.888 558 D CB 1.770 42.585 40.800 0.025 0.000 1.483 558 D HN 0.172 nan 8.370 nan 0.000 0.533 559 E N 3.390 123.085 120.200 -0.842 0.000 2.070 559 E HA -0.257 4.092 4.350 -0.001 0.000 0.197 559 E C 1.491 177.916 176.600 -0.292 0.000 1.004 559 E CA 1.478 57.385 56.400 -0.822 0.000 0.805 559 E CB 0.321 29.392 29.700 -1.049 0.000 0.744 559 E HN 0.416 nan 8.360 nan 0.000 0.451 560 K N 0.095 120.368 120.400 -0.212 0.000 2.021 560 K HA -0.123 4.197 4.320 -0.001 0.000 0.205 560 K C 2.072 178.638 176.600 -0.056 0.000 1.047 560 K CA 1.387 57.618 56.287 -0.094 0.000 0.943 560 K CB 0.043 32.502 32.500 -0.069 0.000 0.725 560 K HN 0.081 nan 8.250 nan 0.000 0.439 561 E N 0.363 120.534 120.200 -0.049 0.000 2.110 561 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 561 E C 0.801 177.396 176.600 -0.008 0.000 0.988 561 E CA 1.189 57.583 56.400 -0.010 0.000 0.804 561 E CB 0.114 29.821 29.700 0.012 0.000 0.745 561 E HN 0.362 nan 8.360 nan 0.000 0.458 562 D N 0.073 120.462 120.400 -0.019 0.000 2.363 562 D HA 0.052 4.691 4.640 -0.001 0.000 0.214 562 D C -0.640 175.595 176.300 -0.108 0.000 1.093 562 D CA -0.011 53.973 54.000 -0.027 0.000 0.837 562 D CB 0.075 40.895 40.800 0.033 0.000 0.948 562 D HN 0.078 nan 8.370 nan 0.000 0.507 563 N N 0.582 119.216 118.700 -0.110 0.000 2.667 563 N HA -0.191 4.548 4.740 -0.001 0.000 0.263 563 N C -0.256 175.180 175.510 -0.122 0.000 1.038 563 N CA 0.647 53.610 53.050 -0.145 0.000 0.749 563 N CB -1.508 36.757 38.487 -0.371 0.000 0.892 563 N HN 0.415 nan 8.380 nan 0.000 0.546 564 C N -3.556 115.748 119.300 0.007 0.000 3.318 564 C HA 0.800 5.259 4.460 -0.001 0.000 0.329 564 C C 1.316 176.480 174.990 0.290 0.000 1.449 564 C CA -0.605 58.491 59.018 0.130 0.000 1.397 564 C CB 1.599 29.431 27.740 0.155 0.000 1.810 564 C HN 0.481 nan 8.230 nan 0.000 0.449 565 C N 0.190 119.697 119.300 0.345 0.000 3.294 565 C HA 0.487 4.946 4.460 -0.001 0.000 0.441 565 C C 0.622 175.716 174.990 0.174 0.000 1.364 565 C CA 0.604 59.825 59.018 0.338 0.000 2.059 565 C CB -0.305 27.552 27.740 0.196 0.000 2.925 565 C HN 0.960 nan 8.230 nan 0.000 0.633 566 V N 1.404 121.304 119.914 -0.023 0.000 2.914 566 V HA 0.710 4.829 4.120 -0.001 0.000 0.314 566 V C -0.663 175.108 176.094 -0.539 0.000 1.084 566 V CA -0.622 61.429 62.300 -0.416 0.000 0.963 566 V CB 1.492 33.198 31.823 -0.195 0.000 1.025 566 V HN 0.409 nan 8.190 nan 0.000 0.432 567 N N 1.016 119.234 118.700 -0.803 0.000 2.431 567 N HA 0.244 4.984 4.740 -0.001 0.000 0.289 567 N C 1.035 176.421 175.510 -0.207 0.000 1.277 567 N CA 0.263 53.081 53.050 -0.388 0.000 0.972 567 N CB -0.148 38.125 38.487 -0.356 0.000 1.143 567 N HN 0.922 nan 8.380 nan 0.000 0.578 568 T N -4.755 109.724 114.554 -0.125 0.000 3.160 568 T HA 0.034 4.384 4.350 -0.001 0.000 0.257 568 T C 0.089 174.721 174.700 -0.114 0.000 1.147 568 T CA 0.543 62.567 62.100 -0.128 0.000 1.064 568 T CB -0.375 68.438 68.868 -0.091 0.000 0.949 568 T HN 0.434 nan 8.240 nan 0.000 0.526 569 D N 1.073 121.396 120.400 -0.128 0.000 2.328 569 D HA 0.185 4.824 4.640 -0.001 0.000 0.221 569 D C 0.556 176.858 176.300 0.003 0.000 1.072 569 D CA 0.097 54.035 54.000 -0.104 0.000 0.850 569 D CB 0.138 40.756 40.800 -0.304 0.000 0.922 569 D HN 0.327 nan 8.370 nan 0.000 0.516 570 S N 0.239 115.913 115.700 -0.044 0.000 3.476 570 S HA -0.253 4.216 4.470 -0.001 0.000 0.309 570 S C 0.551 175.139 174.600 -0.020 0.000 1.222 570 S CA 0.450 58.659 58.200 0.015 0.000 0.922 570 S CB -1.344 61.943 63.200 0.144 0.000 1.023 570 S HN 0.469 nan 8.310 nan 0.000 0.591 571 R N 1.198 121.564 120.500 -0.224 0.000 2.308 571 R HA 0.465 4.804 4.340 -0.001 0.000 0.305 571 R C -0.032 175.953 176.300 -0.525 0.000 1.053 571 R CA -0.406 55.359 56.100 -0.558 0.000 0.957 571 R CB 0.669 30.595 30.300 -0.623 0.000 1.022 571 R HN 0.135 nan 8.270 nan 0.000 0.461 572 V N 6.157 125.800 119.914 -0.451 0.000 2.529 572 V HA 0.002 4.122 4.120 -0.001 0.000 0.292 572 V C 0.155 176.177 176.094 -0.120 0.000 1.028 572 V CA 0.196 62.319 62.300 -0.294 0.000 1.074 572 V CB -0.090 31.554 31.823 -0.298 0.000 0.958 572 V HN 0.566 nan 8.190 nan 0.000 0.481 573 F N 3.915 123.910 119.950 0.076 0.000 2.623 573 F HA 0.374 4.901 4.527 -0.001 0.000 0.383 573 F C 1.576 177.516 175.800 0.234 0.000 1.077 573 F CA 1.499 59.570 58.000 0.118 0.000 1.268 573 F CB -0.183 38.877 39.000 0.101 0.000 1.053 573 F HN 0.799 nan 8.300 nan 0.000 0.571 574 G N 2.185 111.172 108.800 0.311 0.000 2.241 574 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.244 574 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.244 574 G C -0.102 174.752 174.900 -0.077 0.000 0.998 574 G CA -0.496 44.675 45.100 0.117 0.000 0.621 574 G HN 0.437 nan 8.290 nan 0.000 0.519 575 F N 1.077 121.049 119.950 0.037 0.000 2.427 575 F HA 0.622 5.148 4.527 -0.001 0.000 0.346 575 F C 1.394 177.184 175.800 -0.016 0.000 1.120 575 F CA -0.984 57.025 58.000 0.015 0.000 1.033 575 F CB 1.646 40.652 39.000 0.010 0.000 1.126 575 F HN -0.253 nan 8.300 nan 0.000 0.462 576 K N 1.755 122.257 120.400 0.170 0.000 2.148 576 K HA -0.084 4.235 4.320 -0.001 0.000 0.204 576 K C 0.797 177.608 176.600 0.351 0.000 1.050 576 K CA 1.116 57.540 56.287 0.229 0.000 0.942 576 K CB -0.058 32.585 32.500 0.238 0.000 0.724 576 K HN 0.684 nan 8.250 nan 0.000 0.446 577 N N -0.207 118.667 118.700 0.290 0.000 2.307 577 N HA 0.029 4.769 4.740 -0.001 0.000 0.248 577 N C -0.735 174.896 175.510 0.201 0.000 1.322 577 N CA -0.331 52.945 53.050 0.377 0.000 0.861 577 N CB -0.111 38.649 38.487 0.455 0.000 1.303 577 N HN -0.067 nan 8.380 nan 0.000 0.498 578 L N 0.682 121.812 121.223 -0.155 0.000 2.349 578 L HA 0.704 5.043 4.340 -0.001 0.000 0.278 578 L C -1.810 174.690 176.870 -0.617 0.000 0.996 578 L CA -0.610 54.108 54.840 -0.203 0.000 0.825 578 L CB 0.905 42.832 42.059 -0.220 0.000 1.243 578 L HN -0.031 nan 8.230 nan 0.000 0.412 579 F N 4.908 124.788 119.950 -0.117 0.000 2.563 579 F HA 0.668 5.194 4.527 -0.001 0.000 0.316 579 F C -0.577 175.081 175.800 -0.236 0.000 1.076 579 F CA -0.687 57.224 58.000 -0.150 0.000 0.921 579 F CB 1.862 40.808 39.000 -0.091 0.000 1.209 579 F HN 0.192 nan 8.300 nan 0.000 0.462 580 L N 1.976 123.163 121.223 -0.060 0.000 2.346 580 L HA 0.863 5.202 4.340 -0.001 0.000 0.276 580 L C 0.045 176.931 176.870 0.025 0.000 1.006 580 L CA -0.788 53.949 54.840 -0.173 0.000 0.817 580 L CB 1.864 43.668 42.059 -0.426 0.000 1.272 580 L HN 0.781 nan 8.230 nan 0.000 0.421 581 G N 0.532 109.356 108.800 0.039 0.000 2.482 581 G HA2 0.796 4.756 3.960 -0.001 0.000 0.317 581 G HA3 0.796 4.756 3.960 -0.001 0.000 0.317 581 G C -0.458 174.570 174.900 0.212 0.000 1.241 581 G CA -0.249 44.981 45.100 0.217 0.000 0.967 581 G HN 0.961 nan 8.290 nan 0.000 0.482 582 G N -1.048 107.870 108.800 0.197 0.000 2.347 582 G HA2 0.057 4.016 3.960 -0.001 0.000 0.341 582 G HA3 0.057 4.016 3.960 -0.001 0.000 0.341 582 G C 0.764 175.713 174.900 0.082 0.000 1.287 582 G CA 0.096 45.282 45.100 0.142 0.000 0.984 582 G HN 1.102 nan 8.290 nan 0.000 0.526 583 C N 0.696 120.022 119.300 0.044 0.000 2.419 583 C HA 0.195 4.654 4.460 -0.001 0.000 0.283 583 C C 3.054 178.018 174.990 -0.043 0.000 1.373 583 C CA 1.867 60.890 59.018 0.009 0.000 1.781 583 C CB -1.344 26.433 27.740 0.062 0.000 1.886 583 C HN 1.253 nan 8.230 nan 0.000 0.520 584 G N 1.156 109.836 108.800 -0.199 0.000 2.479 584 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.220 584 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.220 584 G C 1.430 175.977 174.900 -0.589 0.000 1.115 584 G CA 0.813 45.537 45.100 -0.626 0.000 0.757 584 G HN 0.547 nan 8.290 nan 0.000 0.560 585 N N 0.387 118.930 118.700 -0.261 0.000 2.309 585 N HA 0.002 4.741 4.740 -0.001 0.000 0.182 585 N C 0.974 176.495 175.510 0.018 0.000 1.018 585 N CA 0.229 53.283 53.050 0.007 0.000 0.876 585 N CB -0.039 38.503 38.487 0.092 0.000 0.972 585 N HN 0.309 nan 8.380 nan 0.000 0.434 586 I N 2.974 123.555 120.570 0.017 0.000 2.505 586 I HA 0.032 4.202 4.170 -0.001 0.000 0.287 586 I C -1.351 174.855 176.117 0.149 0.000 1.104 586 I CA -0.961 60.380 61.300 0.068 0.000 1.387 586 I CB 1.238 39.229 38.000 -0.015 0.000 1.404 586 I HN -0.038 nan 8.210 nan 0.000 0.528 587 P HA 0.061 nan 4.420 nan 0.000 0.267 587 P C 0.299 177.686 177.300 0.145 0.000 1.289 587 P CA 0.204 63.375 63.100 0.118 0.000 0.866 587 P CB 0.255 31.983 31.700 0.047 0.000 1.309 588 T N -2.110 112.564 114.554 0.199 0.000 2.897 588 T HA 0.675 5.024 4.350 -0.001 0.000 0.278 588 T C 0.208 175.033 174.700 0.208 0.000 0.981 588 T CA -0.841 61.364 62.100 0.173 0.000 0.973 588 T CB 1.112 70.060 68.868 0.133 0.000 1.092 588 T HN 0.058 nan 8.240 nan 0.000 0.543 589 A N 1.791 124.667 122.820 0.094 0.000 2.310 589 A HA 0.611 4.930 4.320 -0.001 0.000 0.300 589 A C -0.673 176.865 177.584 -0.078 0.000 1.269 589 A CA -0.873 51.165 52.037 0.002 0.000 0.909 589 A CB -0.861 18.166 19.000 0.045 0.000 1.144 589 A HN 0.876 nan 8.150 nan 0.000 0.540 590 Y N -0.280 119.923 120.300 -0.162 0.000 2.477 590 Y HA 0.718 5.267 4.550 -0.001 0.000 0.347 590 Y C 0.705 176.467 175.900 -0.230 0.000 0.981 590 Y CA -0.668 57.147 58.100 -0.475 0.000 1.033 590 Y CB 1.430 39.391 38.460 -0.831 0.000 1.245 590 Y HN 0.392 nan 8.280 nan 0.000 0.455 591 G N 0.764 109.469 108.800 -0.159 0.000 2.673 591 G HA2 0.380 4.339 3.960 -0.001 0.000 0.208 591 G HA3 0.380 4.339 3.960 -0.001 0.000 0.208 591 G C 0.463 175.457 174.900 0.157 0.000 1.128 591 G CA 0.159 45.379 45.100 0.200 0.000 0.805 591 G HN 0.959 nan 8.290 nan 0.000 0.526 592 A N 0.826 123.562 122.820 -0.139 0.000 2.406 592 A HA 0.438 4.757 4.320 -0.001 0.000 0.243 592 A C -0.036 177.455 177.584 -0.155 0.000 1.082 592 A CA -0.426 51.411 52.037 -0.333 0.000 0.786 592 A CB -0.010 18.788 19.000 -0.337 0.000 1.029 592 A HN 0.384 nan 8.150 nan 0.000 0.495 593 N N 2.198 120.679 118.700 -0.364 0.000 2.447 593 N HA 0.222 4.962 4.740 -0.001 0.000 0.263 593 N C -1.974 173.442 175.510 -0.157 0.000 1.226 593 N CA -0.863 51.956 53.050 -0.385 0.000 0.906 593 N CB 0.394 38.739 38.487 -0.237 0.000 1.060 593 N HN 0.421 nan 8.380 nan 0.000 0.468 594 P HA -0.026 nan 4.420 nan 0.000 0.235 594 P C 0.493 177.685 177.300 -0.179 0.000 1.177 594 P CA 0.727 63.710 63.100 -0.195 0.000 0.785 594 P CB 0.280 31.848 31.700 -0.219 0.000 0.885 595 T N 0.906 115.440 114.554 -0.035 0.000 2.788 595 T HA -0.138 4.212 4.350 -0.001 0.000 0.268 595 T C 1.767 176.558 174.700 0.152 0.000 1.044 595 T CA 0.992 63.138 62.100 0.076 0.000 1.139 595 T CB -0.765 68.182 68.868 0.131 0.000 0.867 595 T HN 0.025 nan 8.240 nan 0.000 0.454 596 L N 0.985 122.308 121.223 0.167 0.000 2.093 596 L HA -0.056 4.284 4.340 -0.001 0.000 0.208 596 L C 2.529 179.481 176.870 0.136 0.000 1.085 596 L CA 1.696 56.688 54.840 0.253 0.000 0.755 596 L CB -1.004 41.184 42.059 0.216 0.000 0.904 596 L HN 0.172 nan 8.230 nan 0.000 0.435 597 T N -0.363 114.142 114.554 -0.081 0.000 2.746 597 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 597 T C 1.905 176.528 174.700 -0.129 0.000 1.039 597 T CA 1.258 63.221 62.100 -0.228 0.000 1.142 597 T CB -0.485 67.829 68.868 -0.923 0.000 0.866 597 T HN 0.504 nan 8.240 nan 0.000 0.444 598 A N 1.422 124.167 122.820 -0.125 0.000 1.933 598 A HA -0.058 4.262 4.320 -0.001 0.000 0.218 598 A C 2.305 179.860 177.584 -0.048 0.000 1.175 598 A CA 1.792 53.795 52.037 -0.057 0.000 0.628 598 A CB -0.709 18.275 19.000 -0.026 0.000 0.814 598 A HN 0.532 nan 8.150 nan 0.000 0.444 599 M N -0.449 119.128 119.600 -0.039 0.000 2.132 599 M HA -0.126 4.354 4.480 -0.001 0.000 0.263 599 M C 2.144 178.354 176.300 -0.150 0.000 1.065 599 M CA 1.989 57.235 55.300 -0.091 0.000 1.122 599 M CB -0.142 32.401 32.600 -0.095 0.000 1.365 599 M HN 0.366 nan 8.290 nan 0.000 0.411 600 S N 1.230 116.845 115.700 -0.142 0.000 2.359 600 S HA -0.153 4.316 4.470 -0.001 0.000 0.224 600 S C 1.746 176.158 174.600 -0.313 0.000 1.035 600 S CA 1.573 59.621 58.200 -0.252 0.000 1.018 600 S CB -0.594 62.413 63.200 -0.321 0.000 0.876 600 S HN 0.524 nan 8.310 nan 0.000 0.448 601 L N 1.023 122.101 121.223 -0.241 0.000 2.083 601 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 601 L C 2.753 179.494 176.870 -0.215 0.000 1.083 601 L CA 1.173 55.877 54.840 -0.228 0.000 0.752 601 L CB -0.701 41.294 42.059 -0.107 0.000 0.899 601 L HN 0.328 nan 8.230 nan 0.000 0.433 602 A N 0.327 123.012 122.820 -0.225 0.000 1.930 602 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 602 A C 2.218 179.484 177.584 -0.530 0.000 1.175 602 A CA 1.321 53.108 52.037 -0.416 0.000 0.627 602 A CB -0.581 18.180 19.000 -0.400 0.000 0.815 602 A HN 0.334 nan 8.150 nan 0.000 0.443 603 I N -0.356 119.997 120.570 -0.362 0.000 2.163 603 I HA -0.313 3.856 4.170 -0.001 0.000 0.243 603 I C 2.558 178.511 176.117 -0.273 0.000 1.085 603 I CA 2.043 63.163 61.300 -0.300 0.000 1.347 603 I CB -0.268 37.572 38.000 -0.267 0.000 1.044 603 I HN 0.397 nan 8.210 nan 0.000 0.408 604 K N 0.561 120.798 120.400 -0.273 0.000 2.063 604 K HA -0.230 4.089 4.320 -0.001 0.000 0.208 604 K C 2.361 178.873 176.600 -0.147 0.000 1.048 604 K CA 1.892 58.049 56.287 -0.216 0.000 0.928 604 K CB -0.163 32.176 32.500 -0.268 0.000 0.713 604 K HN 0.130 nan 8.250 nan 0.000 0.442 605 S N 0.022 115.619 115.700 -0.173 0.000 2.359 605 S HA -0.193 4.276 4.470 -0.001 0.000 0.224 605 S C 2.069 176.575 174.600 -0.157 0.000 1.035 605 S CA 1.567 59.706 58.200 -0.102 0.000 1.018 605 S CB -0.542 62.624 63.200 -0.057 0.000 0.876 605 S HN 0.585 nan 8.310 nan 0.000 0.448 606 C N 1.381 120.503 119.300 -0.297 0.000 2.422 606 C HA -0.008 4.451 4.460 -0.001 0.000 0.279 606 C C 2.512 177.421 174.990 -0.135 0.000 1.305 606 C CA 0.759 59.617 59.018 -0.265 0.000 1.757 606 C CB -1.493 26.050 27.740 -0.328 0.000 1.962 606 C HN 0.682 nan 8.230 nan 0.000 0.499 607 E N -0.654 119.489 120.200 -0.095 0.000 2.085 607 E HA -0.261 4.088 4.350 -0.001 0.000 0.194 607 E C 1.842 178.454 176.600 0.020 0.000 0.994 607 E CA 1.592 57.969 56.400 -0.038 0.000 0.801 607 E CB -0.304 29.369 29.700 -0.046 0.000 0.743 607 E HN 0.839 nan 8.360 nan 0.000 0.453 608 Y N 1.157 121.425 120.300 -0.054 0.000 2.163 608 Y HA -0.188 4.361 4.550 -0.001 0.000 0.288 608 Y C 1.964 177.895 175.900 0.051 0.000 1.136 608 Y CA 1.417 59.529 58.100 0.019 0.000 1.147 608 Y CB -0.093 38.412 38.460 0.076 0.000 0.987 608 Y HN -0.062 nan 8.280 nan 0.000 0.509 609 I N 0.442 121.066 120.570 0.090 0.000 2.208 609 I HA -0.355 3.815 4.170 -0.001 0.000 0.245 609 I C 2.300 178.450 176.117 0.054 0.000 1.097 609 I CA 1.745 63.063 61.300 0.031 0.000 1.363 609 I CB -0.438 37.371 38.000 -0.319 0.000 1.051 609 I HN 0.168 nan 8.210 nan 0.000 0.413 610 K N 0.350 120.750 120.400 -0.001 0.000 2.209 610 K HA -0.195 4.124 4.320 -0.001 0.000 0.204 610 K C 1.934 178.582 176.600 0.080 0.000 1.048 610 K CA 1.207 57.560 56.287 0.110 0.000 0.940 610 K CB -0.117 32.428 32.500 0.074 0.000 0.729 610 K HN 0.480 nan 8.250 nan 0.000 0.451 611 Q N -0.393 119.383 119.800 -0.041 0.000 2.392 611 Q HA 0.072 4.411 4.340 -0.001 0.000 0.203 611 Q C 0.811 176.697 176.000 -0.190 0.000 0.917 611 Q CA 0.363 56.102 55.803 -0.106 0.000 0.939 611 Q CB 0.492 29.145 28.738 -0.141 0.000 1.063 611 Q HN 0.283 nan 8.270 nan 0.000 0.516 612 N N -0.908 117.651 118.700 -0.235 0.000 2.143 612 N HA 0.159 4.898 4.740 -0.001 0.000 0.222 612 N C -0.948 174.173 175.510 -0.648 0.000 1.264 612 N CA 0.253 53.025 53.050 -0.464 0.000 0.897 612 N CB 1.067 39.106 38.487 -0.746 0.000 1.092 612 N HN -0.012 nan 8.380 nan 0.000 0.516 613 F N 0.379 120.351 119.950 0.037 0.000 2.578 613 F HA 0.358 4.884 4.527 -0.001 0.000 0.311 613 F C 0.022 175.959 175.800 0.228 0.000 1.094 613 F CA -0.660 57.422 58.000 0.136 0.000 0.923 613 F CB 1.891 40.981 39.000 0.150 0.000 1.230 613 F HN -0.380 nan 8.300 nan 0.000 0.450 614 T N 3.365 118.112 114.554 0.322 0.000 2.794 614 T HA 0.458 4.808 4.350 -0.001 0.000 0.280 614 T C -2.633 172.095 174.700 0.047 0.000 0.987 614 T CA -1.492 60.685 62.100 0.129 0.000 0.993 614 T CB 1.344 70.246 68.868 0.055 0.000 0.939 614 T HN 0.116 nan 8.240 nan 0.000 0.449 615 P HA 0.171 nan 4.420 nan 0.000 0.269 615 P C -0.040 177.205 177.300 -0.092 0.000 1.209 615 P CA -0.501 62.384 63.100 -0.359 0.000 0.776 615 P CB 0.296 31.624 31.700 -0.620 0.000 0.876 616 S N 3.093 118.788 115.700 -0.008 0.000 2.579 616 S HA 0.277 4.746 4.470 -0.001 0.000 0.275 616 S C -2.029 172.577 174.600 0.010 0.000 1.345 616 S CA -0.977 57.230 58.200 0.012 0.000 1.031 616 S CB -0.819 62.395 63.200 0.023 0.000 0.892 616 S HN 0.344 nan 8.310 nan 0.000 0.529 617 P HA 0.143 nan 4.420 nan 0.000 0.271 617 P C -0.669 176.676 177.300 0.075 0.000 1.216 617 P CA -0.442 62.683 63.100 0.041 0.000 0.776 617 P CB 0.142 31.857 31.700 0.025 0.000 0.881 618 F N 3.314 123.248 119.950 -0.026 0.000 2.506 618 F HA 0.146 4.672 4.527 -0.001 0.000 0.369 618 F C -0.024 175.768 175.800 -0.012 0.000 1.114 618 F CA 0.964 58.955 58.000 -0.016 0.000 1.121 618 F CB 0.055 39.047 39.000 -0.014 0.000 1.104 618 F HN 0.218 nan 8.300 nan 0.000 0.564 619 T N 0.000 114.284 114.554 -0.449 0.000 3.816 619 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 619 T CA 0.000 61.899 62.100 -0.335 0.000 1.349 619 T CB 0.000 68.773 68.868 -0.159 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658