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 3bg7_1_A DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT 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 LPGSGPQFME 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 0.000 176.273 176.300 -0.045 0.000 1.140 43 M CA 0.000 55.352 55.300 0.086 0.000 0.988 43 M CB 0.000 32.493 32.600 -0.177 0.000 1.302 44 D N 3.035 123.426 120.400 -0.014 0.000 2.478 44 D HA 0.420 5.060 4.640 -0.000 0.000 0.274 44 D C 0.633 176.858 176.300 -0.124 0.000 1.234 44 D CA -0.307 53.623 54.000 -0.116 0.000 1.069 44 D CB 1.161 41.859 40.800 -0.168 0.000 1.113 44 D HN 0.667 nan 8.370 nan 0.000 0.571 45 I N -4.632 115.851 120.570 -0.145 0.000 4.310 45 I HA 0.362 4.532 4.170 -0.000 0.000 0.328 45 I C -0.301 175.788 176.117 -0.046 0.000 1.406 45 I CA -0.648 60.630 61.300 -0.036 0.000 1.174 45 I CB 0.249 38.244 38.000 -0.008 0.000 1.279 45 I HN 0.015 nan 8.210 nan 0.000 0.471 46 K N 1.213 121.463 120.400 -0.251 0.000 2.394 46 K HA 0.572 4.892 4.320 -0.000 0.000 0.260 46 K C -1.867 174.435 176.600 -0.497 0.000 0.967 46 K CA -0.519 55.636 56.287 -0.221 0.000 0.855 46 K CB 0.622 33.042 32.500 -0.133 0.000 1.101 46 K HN 0.196 nan 8.250 nan 0.000 0.433 47 Y N 1.122 121.409 120.300 -0.022 0.000 2.630 47 Y HA 0.278 4.828 4.550 -0.000 0.000 0.337 47 Y C 0.894 176.764 175.900 -0.051 0.000 1.051 47 Y CA -0.729 57.348 58.100 -0.039 0.000 1.121 47 Y CB 1.716 40.150 38.460 -0.043 0.000 1.299 47 Y HN 0.575 nan 8.280 nan 0.000 0.498 48 D N 0.012 120.487 120.400 0.126 0.000 2.137 48 D HA 0.033 4.673 4.640 -0.000 0.000 0.202 48 D C -0.379 175.904 176.300 -0.029 0.000 0.970 48 D CA 1.386 55.440 54.000 0.090 0.000 0.837 48 D CB 0.309 41.238 40.800 0.215 0.000 0.981 48 D HN 0.103 nan 8.370 nan 0.000 0.475 49 V N 1.065 120.953 119.914 -0.044 0.000 2.686 49 V HA 0.359 4.479 4.120 -0.000 0.000 0.306 49 V C -0.384 175.610 176.094 -0.167 0.000 1.065 49 V CA -1.032 61.151 62.300 -0.194 0.000 0.894 49 V CB 2.537 34.219 31.823 -0.235 0.000 1.004 49 V HN -0.021 nan 8.190 nan 0.000 0.424 50 V N 3.099 122.878 119.914 -0.225 0.000 2.555 50 V HA 0.767 4.887 4.120 -0.000 0.000 0.302 50 V C -0.689 175.349 176.094 -0.094 0.000 1.038 50 V CA -0.599 61.631 62.300 -0.117 0.000 0.887 50 V CB 1.761 33.598 31.823 0.024 0.000 0.991 50 V HN 0.688 nan 8.190 nan 0.000 0.434 51 I N 4.233 124.771 120.570 -0.053 0.000 2.436 51 I HA 0.487 4.657 4.170 -0.000 0.000 0.289 51 I C -0.600 175.536 176.117 0.033 0.000 1.010 51 I CA -0.970 60.286 61.300 -0.074 0.000 1.098 51 I CB 2.284 40.219 38.000 -0.108 0.000 1.266 51 I HN 0.443 nan 8.210 nan 0.000 0.434 52 V N 5.449 125.369 119.914 0.011 0.000 2.348 52 V HA 0.792 4.911 4.120 -0.000 0.000 0.270 52 V C 0.508 176.609 176.094 0.012 0.000 1.037 52 V CA -0.241 62.089 62.300 0.049 0.000 0.872 52 V CB 0.429 32.258 31.823 0.010 0.000 1.002 52 V HN 1.072 nan 8.190 nan 0.000 0.464 53 G N 3.967 112.788 108.800 0.036 0.000 2.770 53 G HA2 0.016 3.975 3.960 -0.000 0.000 0.686 53 G HA3 0.016 3.975 3.960 -0.000 0.000 0.686 53 G C -0.098 174.815 174.900 0.021 0.000 1.180 53 G CA -0.259 44.852 45.100 0.019 0.000 0.767 53 G HN 1.318 nan 8.290 nan 0.000 0.646 54 S N 0.814 116.529 115.700 0.025 0.000 2.651 54 S HA 0.620 5.090 4.470 -0.000 0.000 0.246 54 S C 1.244 175.853 174.600 0.015 0.000 1.039 54 S CA 0.729 58.950 58.200 0.035 0.000 1.013 54 S CB 0.589 63.822 63.200 0.055 0.000 0.861 54 S HN 1.943 nan 8.310 nan 0.000 0.485 55 G N 2.650 111.447 108.800 -0.004 0.000 2.570 55 G HA2 0.407 4.367 3.960 -0.000 0.000 0.276 55 G HA3 0.407 4.367 3.960 -0.000 0.000 0.276 55 G C -1.254 173.623 174.900 -0.039 0.000 1.346 55 G CA -1.263 43.815 45.100 -0.037 0.000 1.034 55 G HN 0.263 nan 8.290 nan 0.000 0.512 56 P HA -0.011 nan 4.420 nan 0.000 0.229 56 P C 1.648 178.901 177.300 -0.078 0.000 1.160 56 P CA 0.502 63.558 63.100 -0.073 0.000 0.777 56 P CB 0.224 31.899 31.700 -0.042 0.000 0.814 57 I N 0.244 120.798 120.570 -0.026 0.000 2.333 57 I HA -0.025 4.145 4.170 -0.000 0.000 0.246 57 I C 2.677 178.860 176.117 0.110 0.000 1.106 57 I CA 1.437 62.757 61.300 0.033 0.000 1.411 57 I CB -2.248 35.794 38.000 0.070 0.000 1.082 57 I HN -0.004 nan 8.210 nan 0.000 0.420 58 G N 0.433 109.268 108.800 0.058 0.000 2.440 58 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.218 58 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.218 58 G C 1.762 176.659 174.900 -0.006 0.000 1.154 58 G CA 1.091 46.211 45.100 0.034 0.000 0.767 58 G HN 0.415 nan 8.290 nan 0.000 0.552 59 C N 0.644 119.920 119.300 -0.040 0.000 2.432 59 C HA 0.031 4.491 4.460 -0.000 0.000 0.280 59 C C 3.174 178.036 174.990 -0.213 0.000 1.353 59 C CA 1.337 60.292 59.018 -0.105 0.000 1.766 59 C CB -1.014 26.712 27.740 -0.022 0.000 1.924 59 C HN 0.456 nan 8.230 nan 0.000 0.509 60 T N 0.062 114.515 114.554 -0.169 0.000 2.701 60 T HA -0.160 4.189 4.350 -0.000 0.000 0.263 60 T C 1.482 176.015 174.700 -0.278 0.000 1.040 60 T CA 1.638 63.599 62.100 -0.232 0.000 1.147 60 T CB -0.450 68.303 68.868 -0.192 0.000 0.865 60 T HN 0.556 nan 8.240 nan 0.000 0.426 61 Y N 1.490 121.643 120.300 -0.245 0.000 2.165 61 Y HA -0.081 4.469 4.550 -0.000 0.000 0.286 61 Y C 2.778 178.451 175.900 -0.378 0.000 1.155 61 Y CA 0.967 58.902 58.100 -0.275 0.000 1.164 61 Y CB -0.613 37.703 38.460 -0.240 0.000 0.978 61 Y HN 0.202 nan 8.280 nan 0.000 0.513 62 A N 0.122 122.738 122.820 -0.341 0.000 1.877 62 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 62 A C 2.268 179.259 177.584 -0.988 0.000 1.186 62 A CA 1.738 53.324 52.037 -0.751 0.000 0.620 62 A CB -0.736 17.584 19.000 -1.133 0.000 0.822 62 A HN 0.424 nan 8.150 nan 0.000 0.443 63 R N -0.340 119.651 120.500 -0.848 0.000 2.080 63 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 63 R C 2.055 178.127 176.300 -0.380 0.000 1.137 63 R CA 1.830 57.575 56.100 -0.592 0.000 0.943 63 R CB -0.263 29.723 30.300 -0.523 0.000 0.846 63 R HN 0.567 nan 8.270 nan 0.000 0.431 64 E N 0.396 120.406 120.200 -0.315 0.000 2.047 64 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 64 E C 2.136 178.658 176.600 -0.130 0.000 0.987 64 E CA 1.247 57.537 56.400 -0.182 0.000 0.799 64 E CB -0.085 29.500 29.700 -0.191 0.000 0.752 64 E HN 0.433 nan 8.360 nan 0.000 0.449 65 L N 0.326 121.444 121.223 -0.175 0.000 2.249 65 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 65 L C 2.525 179.420 176.870 0.040 0.000 1.090 65 L CA 0.205 54.999 54.840 -0.077 0.000 0.802 65 L CB -0.246 41.644 42.059 -0.281 0.000 0.947 65 L HN -0.062 nan 8.230 nan 0.000 0.453 66 V N 0.623 120.462 119.914 -0.125 0.000 2.295 66 V HA -0.212 3.907 4.120 -0.000 0.000 0.246 66 V C 2.630 178.725 176.094 0.002 0.000 1.049 66 V CA 2.146 64.410 62.300 -0.061 0.000 1.024 66 V CB -1.279 30.437 31.823 -0.178 0.000 0.648 66 V HN 0.560 nan 8.190 nan 0.000 0.447 67 G N -0.640 108.141 108.800 -0.031 0.000 2.448 67 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.219 67 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.219 67 G C 1.451 176.366 174.900 0.026 0.000 1.127 67 G CA 0.836 45.938 45.100 0.003 0.000 0.766 67 G HN 0.641 nan 8.290 nan 0.000 0.552 68 A N -0.647 122.210 122.820 0.061 0.000 2.251 68 A HA 0.507 4.827 4.320 -0.000 0.000 0.209 68 A C 1.824 179.406 177.584 -0.003 0.000 1.187 68 A CA 1.195 53.276 52.037 0.072 0.000 0.823 68 A CB -0.231 18.874 19.000 0.175 0.000 0.846 68 A HN 1.501 nan 8.150 nan 0.000 0.486 69 G N -2.343 106.462 108.800 0.008 0.000 2.168 69 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.197 69 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.197 69 G C -0.098 174.714 174.900 -0.146 0.000 0.997 69 G CA -0.073 44.980 45.100 -0.078 0.000 0.658 69 G HN 0.349 nan 8.290 nan 0.000 0.513 70 Y N 0.581 120.858 120.300 -0.037 0.000 2.301 70 Y HA 0.492 5.042 4.550 -0.000 0.000 0.328 70 Y C 1.053 176.923 175.900 -0.050 0.000 1.242 70 Y CA -0.148 57.928 58.100 -0.040 0.000 1.323 70 Y CB 0.815 39.247 38.460 -0.047 0.000 1.266 70 Y HN 0.055 nan 8.280 nan 0.000 0.527 71 K N 2.716 123.181 120.400 0.108 0.000 2.292 71 K HA 0.413 4.733 4.320 -0.000 0.000 0.290 71 K C -1.540 175.149 176.600 0.148 0.000 1.083 71 K CA -0.114 56.216 56.287 0.071 0.000 0.918 71 K CB -0.021 32.492 32.500 0.021 0.000 1.089 71 K HN 0.494 nan 8.250 nan 0.000 0.473 72 V N 2.949 122.929 119.914 0.108 0.000 2.581 72 V HA 0.655 4.775 4.120 -0.000 0.000 0.303 72 V C -0.387 175.578 176.094 -0.214 0.000 1.041 72 V CA -0.932 61.381 62.300 0.023 0.000 0.907 72 V CB 1.551 33.440 31.823 0.110 0.000 0.994 72 V HN 0.878 nan 8.190 nan 0.000 0.442 73 A N 5.352 127.889 122.820 -0.472 0.000 2.371 73 A HA 0.925 5.244 4.320 -0.000 0.000 0.311 73 A C -0.760 176.457 177.584 -0.612 0.000 1.068 73 A CA -0.603 50.918 52.037 -0.860 0.000 0.744 73 A CB 1.689 19.813 19.000 -1.459 0.000 1.239 73 A HN 0.918 nan 8.150 nan 0.000 0.435 74 M N 2.385 121.567 119.600 -0.697 0.000 2.393 74 M HA 0.758 5.237 4.480 -0.000 0.000 0.316 74 M C -2.176 173.816 176.300 -0.512 0.000 1.087 74 M CA -0.457 54.621 55.300 -0.370 0.000 0.937 74 M CB 1.165 33.740 32.600 -0.042 0.000 1.668 74 M HN 0.580 nan 8.290 nan 0.000 0.438 75 F N 2.555 122.493 119.950 -0.021 0.000 2.482 75 F HA 0.524 5.051 4.527 -0.000 0.000 0.331 75 F C -0.135 175.659 175.800 -0.010 0.000 1.115 75 F CA -0.498 57.507 58.000 0.008 0.000 0.955 75 F CB 1.394 40.377 39.000 -0.027 0.000 1.136 75 F HN 0.471 nan 8.300 nan 0.000 0.452 76 D N 3.122 123.610 120.400 0.147 0.000 2.780 76 D HA 0.246 4.886 4.640 -0.000 0.000 0.242 76 D C 0.486 176.810 176.300 0.040 0.000 1.135 76 D CA -0.337 53.703 54.000 0.067 0.000 0.859 76 D CB 2.440 43.262 40.800 0.037 0.000 1.530 76 D HN 0.646 nan 8.370 nan 0.000 0.493 77 I N 1.850 122.401 120.570 -0.032 0.000 2.830 77 I HA 0.080 4.249 4.170 -0.000 0.000 0.263 77 I C 1.062 177.142 176.117 -0.063 0.000 1.230 77 I CA 0.551 61.793 61.300 -0.096 0.000 1.480 77 I CB 0.182 38.020 38.000 -0.271 0.000 1.095 77 I HN 0.316 nan 8.210 nan 0.000 0.455 78 G N -0.013 108.767 108.800 -0.033 0.000 2.557 78 G HA2 0.403 4.362 3.960 -0.000 0.000 0.302 78 G HA3 0.403 4.362 3.960 -0.000 0.000 0.302 78 G C -0.828 174.088 174.900 0.027 0.000 1.311 78 G CA -0.419 44.685 45.100 0.006 0.000 1.030 78 G HN 0.271 nan 8.290 nan 0.000 0.509 79 E N -1.519 118.702 120.200 0.036 0.000 2.316 79 E HA 0.411 4.761 4.350 -0.000 0.000 0.258 79 E C -0.560 176.063 176.600 0.038 0.000 0.952 79 E CA -0.763 55.660 56.400 0.038 0.000 0.818 79 E CB 2.429 32.154 29.700 0.042 0.000 1.260 79 E HN 0.247 nan 8.360 nan 0.000 0.416 80 I N 2.444 123.035 120.570 0.035 0.000 2.396 80 I HA 0.066 4.236 4.170 -0.000 0.000 0.289 80 I C -0.400 175.744 176.117 0.045 0.000 1.056 80 I CA 0.420 61.742 61.300 0.037 0.000 1.365 80 I CB 0.283 38.300 38.000 0.028 0.000 1.407 80 I HN 0.489 nan 8.210 nan 0.000 0.509 81 D N 2.961 123.394 120.400 0.055 0.000 3.404 81 D HA 0.051 4.691 4.640 -0.000 0.000 0.329 81 D C -0.375 175.977 176.300 0.087 0.000 1.421 81 D CA -0.343 53.696 54.000 0.066 0.000 0.742 81 D CB -0.009 40.828 40.800 0.061 0.000 1.290 81 D HN 0.238 nan 8.370 nan 0.000 0.600 82 S N -0.113 115.642 115.700 0.093 0.000 2.941 82 S HA 0.639 5.108 4.470 -0.000 0.000 0.251 82 S C 0.810 175.480 174.600 0.117 0.000 1.029 82 S CA -0.059 58.215 58.200 0.123 0.000 1.062 82 S CB 1.004 64.278 63.200 0.124 0.000 0.977 82 S HN 0.911 nan 8.310 nan 0.000 0.552 83 G N 1.619 110.475 108.800 0.094 0.000 2.632 83 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.224 83 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.224 83 G C 0.260 175.196 174.900 0.059 0.000 1.341 83 G CA -0.289 44.859 45.100 0.080 0.000 0.880 83 G HN 0.318 nan 8.290 nan 0.000 0.566 84 L N 0.192 121.444 121.223 0.049 0.000 2.395 84 L HA 0.119 4.459 4.340 -0.000 0.000 0.218 84 L C 1.423 178.307 176.870 0.023 0.000 1.130 84 L CA 0.897 55.755 54.840 0.030 0.000 0.826 84 L CB -0.366 41.706 42.059 0.022 0.000 0.941 84 L HN 0.325 nan 8.230 nan 0.000 0.451 85 K N 2.007 122.430 120.400 0.038 0.000 2.250 85 K HA 0.320 4.640 4.320 -0.000 0.000 0.285 85 K C -0.299 176.322 176.600 0.034 0.000 1.097 85 K CA -0.193 56.111 56.287 0.028 0.000 0.913 85 K CB 0.733 33.263 32.500 0.050 0.000 1.179 85 K HN 0.100 nan 8.250 nan 0.000 0.462 86 I N 2.031 122.606 120.570 0.008 0.000 2.587 86 I HA -0.049 4.121 4.170 -0.000 0.000 0.284 86 I C 1.314 177.446 176.117 0.026 0.000 1.134 86 I CA 0.711 62.020 61.300 0.016 0.000 1.410 86 I CB 0.229 38.229 38.000 0.001 0.000 1.392 86 I HN 0.954 nan 8.210 nan 0.000 0.545 87 G N 4.216 113.044 108.800 0.047 0.000 2.147 87 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.244 87 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.244 87 G C 0.277 175.226 174.900 0.083 0.000 1.005 87 G CA 0.028 45.160 45.100 0.053 0.000 0.713 87 G HN 0.965 nan 8.290 nan 0.000 0.515 88 A N -0.487 122.399 122.820 0.110 0.000 2.246 88 A HA 0.660 4.980 4.320 -0.000 0.000 0.291 88 A C 0.525 178.241 177.584 0.221 0.000 1.103 88 A CA -0.311 51.829 52.037 0.172 0.000 0.844 88 A CB 0.342 19.442 19.000 0.168 0.000 1.136 88 A HN 0.658 nan 8.150 nan 0.000 0.500 89 H N 0.325 119.533 119.070 0.230 0.000 2.767 89 H HA 0.150 4.705 4.556 -0.000 0.000 0.316 89 H C 0.711 176.173 175.328 0.224 0.000 1.059 89 H CA 0.506 56.708 56.048 0.256 0.000 1.461 89 H CB 0.922 30.863 29.762 0.299 0.000 1.475 89 H HN 0.675 nan 8.280 nan 0.000 0.531 90 K N 3.271 123.875 120.400 0.340 0.000 2.283 90 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 90 K C 1.641 178.496 176.600 0.425 0.000 1.048 90 K CA 1.130 57.670 56.287 0.422 0.000 0.948 90 K CB 0.249 33.029 32.500 0.466 0.000 0.742 90 K HN 0.544 nan 8.250 nan 0.000 0.458 91 K N 0.292 120.798 120.400 0.177 0.000 2.487 91 K HA 0.031 4.351 4.320 -0.000 0.000 0.192 91 K C 0.421 177.033 176.600 0.020 0.000 1.027 91 K CA 0.529 56.617 56.287 -0.331 0.000 1.054 91 K CB 0.170 31.887 32.500 -1.306 0.000 0.824 91 K HN -0.096 nan 8.250 nan 0.000 0.510 92 N N 2.315 121.130 118.700 0.192 0.000 2.375 92 N HA -0.018 4.722 4.740 -0.000 0.000 0.220 92 N C -0.553 175.121 175.510 0.273 0.000 1.170 92 N CA 0.440 53.599 53.050 0.180 0.000 0.833 92 N CB 0.582 39.245 38.487 0.294 0.000 1.069 92 N HN 0.434 nan 8.380 nan 0.000 0.479 93 T N -3.743 110.968 114.554 0.261 0.000 2.907 93 T HA 0.290 4.639 4.350 -0.000 0.000 0.284 93 T C 1.667 176.483 174.700 0.194 0.000 1.004 93 T CA -0.776 61.467 62.100 0.238 0.000 1.063 93 T CB 1.780 70.755 68.868 0.179 0.000 0.992 93 T HN -0.195 nan 8.240 nan 0.000 0.483 94 V N 1.464 121.514 119.914 0.226 0.000 2.380 94 V HA -0.172 3.948 4.120 -0.000 0.000 0.251 94 V C 2.795 178.921 176.094 0.053 0.000 1.063 94 V CA 2.384 64.794 62.300 0.185 0.000 1.055 94 V CB -1.048 30.870 31.823 0.159 0.000 0.657 94 V HN 1.019 nan 8.190 nan 0.000 0.455 95 E N -0.512 119.665 120.200 -0.038 0.000 2.106 95 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 95 E C 1.956 178.425 176.600 -0.218 0.000 0.984 95 E CA 1.506 57.810 56.400 -0.160 0.000 0.806 95 E CB -0.268 29.273 29.700 -0.265 0.000 0.750 95 E HN 0.720 nan 8.360 nan 0.000 0.458 96 Y N 0.463 120.811 120.300 0.081 0.000 2.395 96 Y HA 0.013 4.562 4.550 -0.000 0.000 0.293 96 Y C 2.136 178.030 175.900 -0.009 0.000 1.123 96 Y CA 0.795 58.928 58.100 0.056 0.000 1.227 96 Y CB -0.081 38.408 38.460 0.050 0.000 1.012 96 Y HN 0.091 nan 8.280 nan 0.000 0.552 97 Q N 0.411 120.254 119.800 0.071 0.000 2.224 97 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 97 Q C 1.654 177.680 176.000 0.044 0.000 0.970 97 Q CA 1.071 56.874 55.803 -0.001 0.000 0.865 97 Q CB -0.153 28.509 28.738 -0.127 0.000 0.922 97 Q HN 0.499 nan 8.270 nan 0.000 0.445 98 K N 0.316 120.746 120.400 0.051 0.000 2.365 98 K HA 0.045 4.365 4.320 -0.000 0.000 0.197 98 K C 0.428 177.063 176.600 0.060 0.000 1.042 98 K CA 0.350 56.665 56.287 0.046 0.000 0.987 98 K CB 0.422 32.940 32.500 0.029 0.000 0.779 98 K HN 0.067 nan 8.250 nan 0.000 0.484 99 N N 0.968 119.725 118.700 0.095 0.000 2.687 99 N HA 0.053 4.792 4.740 -0.000 0.000 0.275 99 N C 0.097 175.742 175.510 0.224 0.000 1.789 99 N CA 0.025 53.152 53.050 0.129 0.000 0.806 99 N CB 0.956 39.503 38.487 0.101 0.000 1.256 99 N HN 0.032 nan 8.380 nan 0.000 0.500 100 I N 0.400 121.080 120.570 0.184 0.000 2.394 100 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 100 I C 0.938 177.185 176.117 0.217 0.000 1.136 100 I CA 1.417 62.832 61.300 0.191 0.000 1.425 100 I CB 0.287 38.347 38.000 0.099 0.000 1.079 100 I HN 0.116 nan 8.210 nan 0.000 0.425 101 D N 1.115 121.637 120.400 0.204 0.000 2.221 101 D HA -0.175 4.465 4.640 -0.000 0.000 0.204 101 D C 1.906 178.303 176.300 0.161 0.000 0.982 101 D CA 0.760 54.881 54.000 0.201 0.000 0.857 101 D CB -0.052 40.904 40.800 0.261 0.000 0.934 101 D HN 0.312 nan 8.370 nan 0.000 0.475 102 K N 0.027 120.553 120.400 0.210 0.000 2.442 102 K HA -0.089 4.231 4.320 -0.000 0.000 0.198 102 K C 1.714 178.414 176.600 0.166 0.000 1.042 102 K CA 0.006 56.422 56.287 0.214 0.000 0.958 102 K CB -0.333 32.351 32.500 0.308 0.000 0.766 102 K HN 0.220 nan 8.250 nan 0.000 0.474 103 F N 1.267 121.197 119.950 -0.034 0.000 2.407 103 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 103 F C 1.795 177.479 175.800 -0.192 0.000 1.097 103 F CA 0.425 58.246 58.000 -0.298 0.000 1.422 103 F CB 0.018 38.804 39.000 -0.356 0.000 1.067 103 F HN -0.298 nan 8.300 nan 0.000 0.539 104 V N 0.355 120.193 119.914 -0.127 0.000 2.469 104 V HA -0.357 3.763 4.120 -0.000 0.000 0.251 104 V C 1.810 177.732 176.094 -0.286 0.000 1.064 104 V CA 2.338 64.513 62.300 -0.209 0.000 1.066 104 V CB -1.026 30.692 31.823 -0.176 0.000 0.667 104 V HN 0.362 nan 8.190 nan 0.000 0.461 105 N N -0.074 118.484 118.700 -0.238 0.000 2.188 105 N HA -0.119 4.620 4.740 -0.000 0.000 0.184 105 N C 1.673 177.013 175.510 -0.283 0.000 1.018 105 N CA 1.218 54.146 53.050 -0.203 0.000 0.858 105 N CB -0.262 38.164 38.487 -0.102 0.000 0.989 105 N HN 0.320 nan 8.380 nan 0.000 0.426 106 V N 1.231 120.873 119.914 -0.453 0.000 2.343 106 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 106 V C 2.031 177.798 176.094 -0.545 0.000 1.051 106 V CA 1.367 63.343 62.300 -0.540 0.000 1.036 106 V CB -0.509 30.737 31.823 -0.962 0.000 0.654 106 V HN 0.306 nan 8.190 nan 0.000 0.451 107 I N -0.253 119.903 120.570 -0.691 0.000 2.127 107 I HA -0.348 3.821 4.170 -0.000 0.000 0.241 107 I C 2.737 178.605 176.117 -0.415 0.000 1.075 107 I CA 1.854 62.790 61.300 -0.608 0.000 1.334 107 I CB -0.487 37.198 38.000 -0.524 0.000 1.040 107 I HN 0.346 nan 8.210 nan 0.000 0.405 108 Q N 0.409 120.024 119.800 -0.308 0.000 2.135 108 Q HA -0.180 4.159 4.340 -0.000 0.000 0.204 108 Q C 2.282 178.187 176.000 -0.159 0.000 0.981 108 Q CA 1.630 57.309 55.803 -0.208 0.000 0.856 108 Q CB -0.473 28.159 28.738 -0.178 0.000 0.902 108 Q HN 0.673 nan 8.270 nan 0.000 0.425 109 G N 1.126 109.827 108.800 -0.164 0.000 2.471 109 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.219 109 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.219 109 G C 0.991 175.846 174.900 -0.075 0.000 1.125 109 G CA 0.727 45.764 45.100 -0.106 0.000 0.775 109 G HN 0.488 nan 8.290 nan 0.000 0.548 110 Q N -0.677 119.064 119.800 -0.098 0.000 2.165 110 Q HA 0.468 4.808 4.340 -0.000 0.000 0.245 110 Q C -0.335 175.657 176.000 -0.015 0.000 0.841 110 Q CA -0.297 55.489 55.803 -0.030 0.000 1.078 110 Q CB 0.187 28.933 28.738 0.014 0.000 1.169 110 Q HN 0.238 nan 8.270 nan 0.000 0.475 111 L N 2.018 123.210 121.223 -0.052 0.000 2.305 111 L HA 0.563 4.903 4.340 -0.000 0.000 0.284 111 L C -0.698 176.175 176.870 0.005 0.000 1.013 111 L CA -0.738 54.091 54.840 -0.018 0.000 0.819 111 L CB 1.762 43.776 42.059 -0.075 0.000 1.227 111 L HN 0.282 nan 8.230 nan 0.000 0.417 112 M N 2.413 122.041 119.600 0.047 0.000 2.125 112 M HA 0.308 4.788 4.480 -0.000 0.000 0.321 112 M C -0.054 176.284 176.300 0.064 0.000 0.983 112 M CA -0.455 54.879 55.300 0.056 0.000 0.934 112 M CB 1.451 34.104 32.600 0.090 0.000 1.542 112 M HN 0.385 nan 8.290 nan 0.000 0.424 113 S N 1.802 117.527 115.700 0.041 0.000 2.558 113 S HA 0.103 4.573 4.470 -0.000 0.000 0.293 113 S C 1.610 176.249 174.600 0.064 0.000 1.292 113 S CA -0.421 57.805 58.200 0.043 0.000 1.063 113 S CB 0.843 64.056 63.200 0.021 0.000 0.831 113 S HN 0.534 nan 8.310 nan 0.000 0.499 114 V N 2.355 122.321 119.914 0.087 0.000 2.407 114 V HA 0.032 4.152 4.120 -0.000 0.000 0.245 114 V C 1.156 177.255 176.094 0.007 0.000 1.041 114 V CA 1.345 63.690 62.300 0.075 0.000 1.040 114 V CB 0.123 32.033 31.823 0.145 0.000 0.671 114 V HN 0.790 nan 8.190 nan 0.000 0.455 115 S N -0.327 115.397 115.700 0.040 0.000 2.750 115 S HA 0.507 4.976 4.470 -0.000 0.000 0.276 115 S C -1.121 173.483 174.600 0.007 0.000 1.165 115 S CA -0.465 57.721 58.200 -0.024 0.000 1.047 115 S CB 1.403 64.545 63.200 -0.096 0.000 1.056 115 S HN 0.005 nan 8.310 nan 0.000 0.481 116 V N 7.665 127.569 119.914 -0.017 0.000 2.370 116 V HA 0.555 4.675 4.120 -0.000 0.000 0.283 116 V C -1.928 174.147 176.094 -0.031 0.000 1.023 116 V CA -1.804 60.485 62.300 -0.019 0.000 0.857 116 V CB 1.295 33.106 31.823 -0.019 0.000 0.985 116 V HN 0.694 nan 8.190 nan 0.000 0.443 117 P HA 0.171 nan 4.420 nan 0.000 0.274 117 P C -0.185 177.088 177.300 -0.045 0.000 1.256 117 P CA -0.179 62.900 63.100 -0.035 0.000 0.795 117 P CB 0.879 32.560 31.700 -0.032 0.000 1.038 118 V N 2.216 122.105 119.914 -0.042 0.000 2.585 118 V HA -0.005 4.115 4.120 -0.000 0.000 0.296 118 V C 1.208 177.245 176.094 -0.094 0.000 1.035 118 V CA 0.107 62.377 62.300 -0.050 0.000 1.084 118 V CB -0.503 31.311 31.823 -0.014 0.000 0.953 118 V HN 0.621 nan 8.190 nan 0.000 0.483 119 N N 3.598 122.234 118.700 -0.107 0.000 2.514 119 N HA 0.138 4.877 4.740 -0.000 0.000 0.277 119 N C 0.463 175.798 175.510 -0.291 0.000 1.126 119 N CA 0.362 53.322 53.050 -0.149 0.000 0.978 119 N CB 1.636 40.067 38.487 -0.094 0.000 1.106 119 N HN 0.842 nan 8.380 nan 0.000 0.461 120 T N 0.676 114.944 114.554 -0.477 0.000 3.337 120 T HA 0.267 4.617 4.350 -0.000 0.000 0.299 120 T C 0.589 174.822 174.700 -0.778 0.000 0.998 120 T CA -0.441 60.949 62.100 -1.184 0.000 0.948 120 T CB -0.537 67.722 68.868 -1.014 0.000 1.170 120 T HN 0.264 nan 8.240 nan 0.000 0.508 121 L N 2.135 123.178 121.223 -0.299 0.000 2.416 121 L HA 0.398 4.738 4.340 -0.000 0.000 0.272 121 L C -0.022 176.907 176.870 0.099 0.000 1.161 121 L CA -0.369 54.417 54.840 -0.089 0.000 0.845 121 L CB 1.045 43.080 42.059 -0.039 0.000 1.119 121 L HN 0.127 nan 8.230 nan 0.000 0.464 122 V N 5.169 125.155 119.914 0.120 0.000 2.406 122 V HA 0.213 4.333 4.120 -0.000 0.000 0.272 122 V C -0.029 176.127 176.094 0.104 0.000 1.043 122 V CA -0.525 61.889 62.300 0.189 0.000 0.915 122 V CB 1.508 33.425 31.823 0.156 0.000 0.988 122 V HN 0.375 nan 8.190 nan 0.000 0.466 123 V N 5.410 125.383 119.914 0.099 0.000 2.313 123 V HA 0.341 4.461 4.120 -0.000 0.000 0.278 123 V C 0.133 176.253 176.094 0.043 0.000 1.017 123 V CA -0.442 61.894 62.300 0.060 0.000 0.823 123 V CB 1.403 33.262 31.823 0.060 0.000 1.010 123 V HN 1.079 nan 8.190 nan 0.000 0.443 124 D N 1.900 122.318 120.400 0.031 0.000 2.501 124 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 124 D C 1.175 177.482 176.300 0.012 0.000 1.202 124 D CA 0.195 54.205 54.000 0.016 0.000 0.829 124 D CB 0.350 41.159 40.800 0.014 0.000 1.023 124 D HN 0.538 nan 8.370 nan 0.000 0.499 125 T N -1.776 112.788 114.554 0.016 0.000 3.214 125 T HA 0.318 4.668 4.350 -0.000 0.000 0.264 125 T C 0.683 175.392 174.700 0.016 0.000 1.012 125 T CA -0.555 61.553 62.100 0.014 0.000 0.901 125 T CB -0.314 68.563 68.868 0.014 0.000 1.070 125 T HN 0.032 nan 8.240 nan 0.000 0.561 126 L N 2.052 123.285 121.223 0.017 0.000 2.461 126 L HA 0.293 4.633 4.340 -0.000 0.000 0.272 126 L C 1.125 178.004 176.870 0.015 0.000 1.197 126 L CA -0.513 54.340 54.840 0.022 0.000 0.836 126 L CB 0.534 42.608 42.059 0.027 0.000 1.105 126 L HN 0.253 nan 8.230 nan 0.000 0.477 127 S N 2.348 118.061 115.700 0.020 0.000 2.558 127 S HA 0.090 4.560 4.470 -0.000 0.000 0.288 127 S C -1.419 173.187 174.600 0.010 0.000 1.318 127 S CA -1.026 57.184 58.200 0.016 0.000 1.056 127 S CB 0.737 63.950 63.200 0.022 0.000 0.853 127 S HN 0.412 nan 8.310 nan 0.000 0.505 128 P HA -0.046 nan 4.420 nan 0.000 0.223 128 P C 1.305 178.605 177.300 0.000 0.000 1.144 128 P CA 1.144 64.240 63.100 -0.006 0.000 0.783 128 P CB -0.296 31.399 31.700 -0.008 0.000 0.771 129 T N -5.341 109.222 114.554 0.015 0.000 3.067 129 T HA 0.084 4.433 4.350 -0.000 0.000 0.261 129 T C 1.037 175.768 174.700 0.052 0.000 1.110 129 T CA 0.089 62.206 62.100 0.028 0.000 1.113 129 T CB -0.635 68.251 68.868 0.030 0.000 0.917 129 T HN -0.090 nan 8.240 nan 0.000 0.499 130 S N 1.305 117.039 115.700 0.057 0.000 2.576 130 S HA 0.306 4.775 4.470 -0.000 0.000 0.276 130 S C -0.602 174.076 174.600 0.130 0.000 1.339 130 S CA -0.975 57.286 58.200 0.102 0.000 1.039 130 S CB 0.228 63.482 63.200 0.090 0.000 0.902 130 S HN 0.603 nan 8.310 nan 0.000 0.516 131 W N 2.636 123.944 121.300 0.012 0.000 2.238 131 W HA 0.299 4.959 4.660 -0.000 0.000 0.321 131 W C -0.169 176.365 176.519 0.024 0.000 1.293 131 W CA 0.081 57.433 57.345 0.011 0.000 1.204 131 W CB 0.453 29.919 29.460 0.010 0.000 1.167 131 W HN 0.350 nan 8.180 nan 0.000 0.553 132 Q N 4.418 123.854 119.800 -0.607 0.000 2.289 132 Q HA 0.445 4.785 4.340 -0.000 0.000 0.270 132 Q C -0.425 174.933 176.000 -1.070 0.000 1.038 132 Q CA -0.671 54.797 55.803 -0.558 0.000 0.812 132 Q CB 1.863 30.453 28.738 -0.247 0.000 1.300 132 Q HN 0.638 nan 8.270 nan 0.000 0.427 133 A N 1.318 123.678 122.820 -0.766 0.000 2.346 133 A HA 0.356 4.676 4.320 -0.000 0.000 0.252 133 A C 0.834 178.240 177.584 -0.298 0.000 1.089 133 A CA 0.061 51.801 52.037 -0.495 0.000 0.797 133 A CB 0.415 19.464 19.000 0.082 0.000 1.047 133 A HN 0.712 nan 8.150 nan 0.000 0.494 134 S N -0.906 114.654 115.700 -0.234 0.000 2.548 134 S HA 0.131 4.601 4.470 -0.000 0.000 0.215 134 S C 0.768 175.255 174.600 -0.189 0.000 0.976 134 S CA 0.811 58.892 58.200 -0.198 0.000 0.908 134 S CB -0.257 62.852 63.200 -0.151 0.000 0.781 134 S HN 1.112 nan 8.310 nan 0.000 0.519 135 T N -1.593 112.884 114.554 -0.128 0.000 2.865 135 T HA 0.634 4.984 4.350 -0.000 0.000 0.294 135 T C -0.942 173.699 174.700 -0.099 0.000 1.119 135 T CA -0.740 61.283 62.100 -0.129 0.000 1.007 135 T CB 0.723 69.615 68.868 0.041 0.000 1.225 135 T HN -0.095 nan 8.240 nan 0.000 0.515 136 F N 2.953 122.976 119.950 0.123 0.000 2.499 136 F HA 0.414 4.941 4.527 -0.000 0.000 0.353 136 F C 0.348 176.187 175.800 0.064 0.000 1.196 136 F CA -1.800 56.227 58.000 0.045 0.000 1.244 136 F CB -0.786 38.215 39.000 0.002 0.000 1.577 136 F HN 0.562 nan 8.300 nan 0.000 0.614 137 F N -0.492 119.555 119.950 0.162 0.000 2.368 137 F HA 0.609 5.136 4.527 -0.000 0.000 0.308 137 F C -0.078 175.792 175.800 0.118 0.000 1.198 137 F CA -1.635 56.439 58.000 0.123 0.000 1.130 137 F CB -0.175 38.889 39.000 0.106 0.000 1.300 137 F HN -0.161 nan 8.300 nan 0.000 0.537 138 V N 2.732 122.782 119.914 0.226 0.000 2.421 138 V HA 0.291 4.411 4.120 -0.000 0.000 0.271 138 V C 0.111 176.238 176.094 0.054 0.000 1.031 138 V CA -0.048 62.308 62.300 0.093 0.000 1.032 138 V CB -0.631 31.266 31.823 0.124 0.000 1.009 138 V HN 0.706 nan 8.190 nan 0.000 0.477 139 R N 3.908 124.340 120.500 -0.112 0.000 2.744 139 R HA 0.456 4.796 4.340 -0.000 0.000 0.279 139 R C 0.120 176.379 176.300 -0.068 0.000 0.977 139 R CA -0.922 55.079 56.100 -0.165 0.000 0.906 139 R CB 1.399 31.469 30.300 -0.384 0.000 1.197 139 R HN 0.671 nan 8.270 nan 0.000 0.463 140 N N 0.571 119.255 118.700 -0.026 0.000 2.741 140 N HA -0.189 4.551 4.740 -0.000 0.000 0.250 140 N C 0.501 176.001 175.510 -0.017 0.000 1.115 140 N CA 1.601 54.638 53.050 -0.022 0.000 0.724 140 N CB -1.127 37.338 38.487 -0.036 0.000 1.090 140 N HN 1.082 nan 8.380 nan 0.000 0.558 141 G N -1.963 106.833 108.800 -0.007 0.000 2.159 141 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.256 141 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.256 141 G C 0.241 175.135 174.900 -0.010 0.000 0.977 141 G CA 0.916 46.013 45.100 -0.005 0.000 0.652 141 G HN 1.314 nan 8.290 nan 0.000 0.531 142 S N -0.562 115.126 115.700 -0.019 0.000 2.614 142 S HA 0.553 5.023 4.470 -0.000 0.000 0.265 142 S C 0.038 174.625 174.600 -0.020 0.000 1.303 142 S CA 0.002 58.187 58.200 -0.026 0.000 1.000 142 S CB 1.889 65.066 63.200 -0.038 0.000 0.935 142 S HN 0.685 nan 8.310 nan 0.000 0.551 143 N N 1.703 120.383 118.700 -0.033 0.000 2.511 143 N HA 0.383 5.123 4.740 -0.000 0.000 0.249 143 N C -1.884 173.605 175.510 -0.034 0.000 0.971 143 N CA -2.519 50.503 53.050 -0.047 0.000 0.938 143 N CB 1.402 39.832 38.487 -0.096 0.000 1.131 143 N HN 0.351 nan 8.380 nan 0.000 0.505 144 P HA -0.017 nan 4.420 nan 0.000 0.237 144 P C 0.251 177.567 177.300 0.026 0.000 1.178 144 P CA 0.794 63.906 63.100 0.020 0.000 0.766 144 P CB 0.580 32.308 31.700 0.046 0.000 0.876 145 E N -0.300 119.896 120.200 -0.007 0.000 2.371 145 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 145 E C 0.789 177.389 176.600 0.000 0.000 1.012 145 E CA 0.460 56.876 56.400 0.025 0.000 0.860 145 E CB -0.026 29.622 29.700 -0.086 0.000 0.811 145 E HN 0.278 nan 8.360 nan 0.000 0.502 146 Q N 2.263 122.029 119.800 -0.057 0.000 2.314 146 Q HA 0.023 4.363 4.340 -0.000 0.000 0.257 146 Q C -0.796 175.210 176.000 0.010 0.000 0.975 146 Q CA -0.159 55.615 55.803 -0.049 0.000 0.933 146 Q CB 0.667 29.360 28.738 -0.074 0.000 1.195 146 Q HN -0.176 nan 8.270 nan 0.000 0.426 147 D N 6.117 126.545 120.400 0.046 0.000 2.382 147 D HA 0.020 4.660 4.640 -0.000 0.000 0.259 147 D C -1.653 174.666 176.300 0.031 0.000 1.224 147 D CA -1.693 52.335 54.000 0.047 0.000 0.894 147 D CB 1.243 42.086 40.800 0.070 0.000 1.127 147 D HN 0.436 nan 8.370 nan 0.000 0.487 148 P HA -0.088 nan 4.420 nan 0.000 0.225 148 P C 1.277 178.582 177.300 0.008 0.000 1.148 148 P CA 0.663 63.764 63.100 0.001 0.000 0.779 148 P CB 0.356 32.043 31.700 -0.021 0.000 0.780 149 L N -1.262 119.970 121.223 0.015 0.000 2.607 149 L HA 0.187 4.527 4.340 -0.000 0.000 0.228 149 L C 1.584 178.471 176.870 0.028 0.000 1.123 149 L CA 0.219 55.068 54.840 0.015 0.000 0.890 149 L CB -0.110 41.954 42.059 0.007 0.000 1.103 149 L HN -0.175 nan 8.230 nan 0.000 0.468 150 R N -0.251 120.277 120.500 0.048 0.000 2.727 150 R HA 0.206 4.545 4.340 -0.000 0.000 0.410 150 R C -0.323 176.045 176.300 0.114 0.000 1.101 150 R CA -0.275 55.868 56.100 0.072 0.000 1.045 150 R CB 0.272 30.616 30.300 0.074 0.000 1.380 150 R HN 0.049 nan 8.270 nan 0.000 0.587 151 N N 0.641 119.387 118.700 0.077 0.000 2.477 151 N HA 0.350 5.089 4.740 -0.000 0.000 0.284 151 N C -0.685 174.773 175.510 -0.087 0.000 1.182 151 N CA -0.551 52.536 53.050 0.061 0.000 0.949 151 N CB 1.120 39.632 38.487 0.042 0.000 1.204 151 N HN 0.085 nan 8.380 nan 0.000 0.526 152 L N 2.036 123.062 121.223 -0.329 0.000 2.504 152 L HA 0.214 4.554 4.340 -0.000 0.000 0.249 152 L C 1.419 178.111 176.870 -0.296 0.000 1.120 152 L CA -0.285 54.218 54.840 -0.562 0.000 0.997 152 L CB 0.513 41.832 42.059 -1.234 0.000 1.349 152 L HN 0.641 nan 8.230 nan 0.000 0.439 153 S N -0.265 115.358 115.700 -0.129 0.000 2.399 153 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 153 S C 1.794 176.362 174.600 -0.054 0.000 1.022 153 S CA 1.052 59.221 58.200 -0.052 0.000 0.983 153 S CB -0.211 62.970 63.200 -0.031 0.000 0.803 153 S HN 0.625 nan 8.310 nan 0.000 0.480 154 G N 0.570 109.322 108.800 -0.081 0.000 2.813 154 G HA2 0.082 4.042 3.960 -0.000 0.000 0.209 154 G HA3 0.082 4.042 3.960 -0.000 0.000 0.209 154 G C 0.574 175.437 174.900 -0.061 0.000 1.150 154 G CA -0.263 44.799 45.100 -0.064 0.000 0.785 154 G HN 0.360 nan 8.290 nan 0.000 0.535 155 Q N 0.530 120.271 119.800 -0.098 0.000 2.330 155 Q HA 0.508 4.848 4.340 -0.000 0.000 0.279 155 Q C -0.100 175.924 176.000 0.040 0.000 1.024 155 Q CA 0.297 56.068 55.803 -0.053 0.000 0.900 155 Q CB 1.383 30.058 28.738 -0.105 0.000 1.221 155 Q HN 0.287 nan 8.270 nan 0.000 0.396 156 A N 1.917 124.771 122.820 0.058 0.000 2.606 156 A HA 0.724 5.044 4.320 -0.000 0.000 0.293 156 A C -1.088 176.558 177.584 0.102 0.000 1.082 156 A CA -0.510 51.571 52.037 0.073 0.000 0.685 156 A CB 1.362 20.387 19.000 0.042 0.000 1.284 156 A HN 0.495 nan 8.150 nan 0.000 0.408 157 V N -1.776 118.213 119.914 0.124 0.000 2.914 157 V HA 0.942 5.062 4.120 -0.000 0.000 0.314 157 V C -0.481 175.702 176.094 0.148 0.000 1.084 157 V CA -0.466 61.930 62.300 0.161 0.000 0.963 157 V CB 1.600 33.573 31.823 0.249 0.000 1.025 157 V HN 0.903 nan 8.190 nan 0.000 0.432 158 T N 3.324 117.966 114.554 0.147 0.000 2.807 158 T HA 0.593 4.942 4.350 -0.000 0.000 0.279 158 T C -0.265 174.481 174.700 0.077 0.000 0.993 158 T CA -0.500 61.675 62.100 0.124 0.000 0.970 158 T CB 1.190 70.161 68.868 0.172 0.000 0.950 158 T HN 0.778 nan 8.240 nan 0.000 0.441 159 R N 2.446 122.977 120.500 0.052 0.000 2.505 159 R HA 0.571 4.911 4.340 -0.000 0.000 0.284 159 R C -0.713 175.601 176.300 0.024 0.000 1.324 159 R CA -0.561 55.540 56.100 0.002 0.000 1.432 159 R CB 0.695 30.965 30.300 -0.050 0.000 1.107 159 R HN 0.524 nan 8.270 nan 0.000 0.587 160 V N -1.943 117.987 119.914 0.025 0.000 3.087 160 V HA 0.453 4.572 4.120 -0.000 0.000 0.306 160 V C -0.014 176.094 176.094 0.024 0.000 1.187 160 V CA -1.139 61.181 62.300 0.033 0.000 0.999 160 V CB 2.024 33.876 31.823 0.048 0.000 1.049 160 V HN 0.101 nan 8.190 nan 0.000 0.431 161 V N 3.626 123.558 119.914 0.029 0.000 2.540 161 V HA 0.509 4.629 4.120 -0.000 0.000 0.297 161 V C 1.677 177.786 176.094 0.025 0.000 1.024 161 V CA 2.045 64.363 62.300 0.029 0.000 1.105 161 V CB 0.110 31.954 31.823 0.034 0.000 0.938 161 V HN 2.014 nan 8.190 nan 0.000 0.482 162 G N 3.422 112.231 108.800 0.016 0.000 2.213 162 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.226 162 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.226 162 G C 1.008 175.880 174.900 -0.048 0.000 0.992 162 G CA 0.294 45.392 45.100 -0.004 0.000 0.632 162 G HN 2.055 nan 8.290 nan 0.000 0.511 163 G N 0.343 109.124 108.800 -0.032 0.000 2.614 163 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.303 163 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.303 163 G C 1.243 176.072 174.900 -0.117 0.000 1.270 163 G CA 1.526 46.597 45.100 -0.048 0.000 0.988 163 G HN 1.113 nan 8.290 nan 0.000 0.551 164 M N 1.483 120.967 119.600 -0.194 0.000 2.492 164 M HA 0.024 4.504 4.480 -0.000 0.000 0.262 164 M C 2.771 178.711 176.300 -0.600 0.000 1.090 164 M CA 1.676 56.705 55.300 -0.453 0.000 1.110 164 M CB -0.171 32.276 32.600 -0.254 0.000 1.407 164 M HN 0.724 nan 8.290 nan 0.000 0.470 165 S N 0.005 115.399 115.700 -0.509 0.000 2.547 165 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 165 S C 1.735 176.191 174.600 -0.240 0.000 0.980 165 S CA 1.376 59.158 58.200 -0.697 0.000 0.941 165 S CB -1.006 61.842 63.200 -0.587 0.000 0.763 165 S HN 0.594 nan 8.310 nan 0.000 0.532 166 T N -0.745 113.671 114.554 -0.230 0.000 3.085 166 T HA 0.002 4.352 4.350 -0.000 0.000 0.263 166 T C 1.390 175.907 174.700 -0.305 0.000 1.127 166 T CA 0.924 62.919 62.100 -0.174 0.000 1.103 166 T CB -0.686 68.168 68.868 -0.023 0.000 0.921 166 T HN 0.919 nan 8.240 nan 0.000 0.510 167 H N -2.100 116.886 119.070 -0.140 0.000 3.540 167 H HA 0.205 4.761 4.556 -0.000 0.000 0.259 167 H C 0.549 176.107 175.328 0.384 0.000 1.197 167 H CA -1.036 55.066 56.048 0.090 0.000 1.136 167 H CB -0.529 29.305 29.762 0.119 0.000 1.605 167 H HN 0.473 nan 8.280 nan 0.000 0.657 168 W N 2.828 124.140 121.300 0.019 0.000 2.042 168 W HA 0.250 4.910 4.660 -0.000 0.000 0.358 168 W C 0.016 176.685 176.519 0.249 0.000 1.325 168 W CA 0.073 57.525 57.345 0.177 0.000 1.311 168 W CB -0.345 29.142 29.460 0.045 0.000 1.210 168 W HN -0.167 nan 8.180 nan 0.000 0.620 169 T N 0.685 115.262 114.554 0.039 0.000 3.081 169 T HA 0.023 4.373 4.350 -0.000 0.000 0.255 169 T C 0.994 175.335 174.700 -0.598 0.000 1.113 169 T CA 0.978 62.928 62.100 -0.250 0.000 1.082 169 T CB -0.548 68.324 68.868 0.006 0.000 0.939 169 T HN 0.655 nan 8.240 nan 0.000 0.506 170 C N 1.092 119.676 119.300 -1.194 0.000 4.552 170 C HA -0.106 4.354 4.460 -0.000 0.000 0.268 170 C C 1.129 175.643 174.990 -0.795 0.000 1.288 170 C CA -0.775 57.231 59.018 -1.687 0.000 1.776 170 C CB -2.751 24.432 27.740 -0.928 0.000 1.415 170 C HN 0.768 nan 8.230 nan 0.000 0.729 171 A N 1.081 123.647 122.820 -0.423 0.000 2.404 171 A HA 0.572 4.892 4.320 -0.000 0.000 0.273 171 A C 0.788 178.295 177.584 -0.130 0.000 1.144 171 A CA 1.089 53.019 52.037 -0.179 0.000 0.806 171 A CB 0.197 19.158 19.000 -0.065 0.000 1.080 171 A HN 1.408 nan 8.150 nan 0.000 0.509 172 T N 1.459 115.950 114.554 -0.104 0.000 3.504 172 T HA 0.480 4.830 4.350 -0.000 0.000 0.286 172 T C -2.605 172.045 174.700 -0.082 0.000 1.530 172 T CA -1.328 60.739 62.100 -0.055 0.000 1.652 172 T CB 0.523 69.387 68.868 -0.006 0.000 0.895 172 T HN 0.482 nan 8.240 nan 0.000 0.674 173 P HA 0.343 nan 4.420 nan 0.000 0.277 173 P C -0.241 176.917 177.300 -0.237 0.000 1.240 173 P CA -0.585 62.414 63.100 -0.168 0.000 0.798 173 P CB 1.185 32.752 31.700 -0.221 0.000 0.979 174 R N 1.205 121.486 120.500 -0.365 0.000 2.582 174 R HA 0.363 4.703 4.340 -0.000 0.000 0.271 174 R C 0.178 176.367 176.300 -0.185 0.000 1.078 174 R CA -0.378 55.325 56.100 -0.661 0.000 1.127 174 R CB 0.158 29.934 30.300 -0.873 0.000 1.038 174 R HN 0.395 nan 8.270 nan 0.000 0.500 175 F N 1.785 121.526 119.950 -0.348 0.000 2.399 175 F HA 0.060 4.587 4.527 -0.000 0.000 0.342 175 F C 1.042 176.663 175.800 -0.299 0.000 1.106 175 F CA -1.449 56.358 58.000 -0.320 0.000 1.196 175 F CB 0.381 39.180 39.000 -0.335 0.000 1.163 175 F HN 0.551 nan 8.300 nan 0.000 0.547 176 D N 1.958 122.282 120.400 -0.128 0.000 2.451 176 D HA 0.181 4.821 4.640 -0.000 0.000 0.259 176 D C 1.034 177.250 176.300 -0.141 0.000 1.201 176 D CA -0.464 53.466 54.000 -0.117 0.000 1.028 176 D CB 0.518 41.265 40.800 -0.088 0.000 1.095 176 D HN 0.435 nan 8.370 nan 0.000 0.539 177 R N -0.441 120.003 120.500 -0.094 0.000 2.091 177 R HA -0.156 4.183 4.340 -0.000 0.000 0.238 177 R C 2.067 178.316 176.300 -0.085 0.000 1.136 177 R CA 1.525 57.577 56.100 -0.080 0.000 0.959 177 R CB -0.233 30.055 30.300 -0.021 0.000 0.856 177 R HN 0.618 nan 8.270 nan 0.000 0.437 178 E N 0.492 120.643 120.200 -0.082 0.000 2.160 178 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 178 E C 1.653 178.158 176.600 -0.158 0.000 0.991 178 E CA 1.203 57.563 56.400 -0.066 0.000 0.810 178 E CB 0.162 29.876 29.700 0.023 0.000 0.742 178 E HN 0.451 nan 8.360 nan 0.000 0.466 179 Q N -0.584 119.021 119.800 -0.327 0.000 2.356 179 Q HA 0.097 4.437 4.340 -0.000 0.000 0.205 179 Q C 0.552 176.439 176.000 -0.188 0.000 0.901 179 Q CA -0.046 55.491 55.803 -0.444 0.000 0.938 179 Q CB 0.637 28.796 28.738 -0.965 0.000 1.081 179 Q HN -0.064 nan 8.270 nan 0.000 0.517 180 R N 2.045 122.483 120.500 -0.103 0.000 2.460 180 R HA 0.306 4.646 4.340 -0.000 0.000 0.303 180 R C -2.581 173.692 176.300 -0.044 0.000 0.968 180 R CA -2.132 53.909 56.100 -0.098 0.000 0.889 180 R CB 1.052 31.120 30.300 -0.386 0.000 1.123 180 R HN -0.137 nan 8.270 nan 0.000 0.455 181 P HA 0.031 nan 4.420 nan 0.000 0.272 181 P C -0.580 176.911 177.300 0.318 0.000 1.223 181 P CA -0.070 63.131 63.100 0.169 0.000 0.784 181 P CB 0.634 32.450 31.700 0.194 0.000 0.923 182 L N 2.570 123.941 121.223 0.247 0.000 2.380 182 L HA 0.155 4.494 4.340 -0.000 0.000 0.273 182 L C 1.670 178.707 176.870 0.280 0.000 1.138 182 L CA -0.166 54.883 54.840 0.347 0.000 0.832 182 L CB 0.240 42.546 42.059 0.410 0.000 1.124 182 L HN 0.354 nan 8.230 nan 0.000 0.454 183 L N 3.625 125.035 121.223 0.311 0.000 2.515 183 L HA 0.201 4.541 4.340 -0.000 0.000 0.223 183 L C -0.231 176.798 176.870 0.265 0.000 1.079 183 L CA 0.175 55.073 54.840 0.096 0.000 0.857 183 L CB 0.662 42.556 42.059 -0.275 0.000 1.050 183 L HN 0.326 nan 8.230 nan 0.000 0.476 184 V N 0.829 120.913 119.914 0.284 0.000 2.531 184 V HA 0.242 4.362 4.120 -0.000 0.000 0.301 184 V C -0.426 175.760 176.094 0.154 0.000 1.034 184 V CA -1.084 61.329 62.300 0.188 0.000 0.865 184 V CB 1.735 33.617 31.823 0.098 0.000 0.995 184 V HN 0.157 nan 8.190 nan 0.000 0.424 185 K N 2.632 123.004 120.400 -0.046 0.000 2.218 185 K HA 0.426 4.746 4.320 -0.000 0.000 0.276 185 K C -0.364 176.212 176.600 -0.040 0.000 1.022 185 K CA -0.519 55.705 56.287 -0.105 0.000 0.946 185 K CB 0.544 32.828 32.500 -0.360 0.000 1.000 185 K HN 0.656 nan 8.250 nan 0.000 0.468 186 D N 1.095 121.494 120.400 -0.002 0.000 2.800 186 D HA -0.151 4.489 4.640 -0.000 0.000 0.232 186 D C -0.840 175.469 176.300 0.015 0.000 1.137 186 D CA 1.358 55.360 54.000 0.003 0.000 0.718 186 D CB -0.714 40.074 40.800 -0.021 0.000 1.084 186 D HN 0.749 nan 8.370 nan 0.000 0.432 187 D N -1.177 119.244 120.400 0.036 0.000 2.634 187 D HA 0.383 5.022 4.640 -0.000 0.000 0.236 187 D C 0.828 177.165 176.300 0.063 0.000 1.323 187 D CA 0.177 54.201 54.000 0.040 0.000 0.884 187 D CB 0.383 41.202 40.800 0.031 0.000 1.496 187 D HN 0.005 nan 8.370 nan 0.000 0.525 188 A N 1.981 124.839 122.820 0.063 0.000 2.015 188 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 188 A C 1.554 179.188 177.584 0.084 0.000 1.163 188 A CA 1.160 53.245 52.037 0.079 0.000 0.646 188 A CB 0.134 19.173 19.000 0.065 0.000 0.806 188 A HN 0.396 nan 8.150 nan 0.000 0.448 189 D N -0.104 120.335 120.400 0.065 0.000 2.213 189 D HA 0.097 4.737 4.640 -0.000 0.000 0.205 189 D C 2.170 178.510 176.300 0.068 0.000 0.961 189 D CA 1.137 55.175 54.000 0.063 0.000 0.853 189 D CB -0.260 40.568 40.800 0.047 0.000 0.967 189 D HN 0.410 nan 8.370 nan 0.000 0.496 190 A N 1.153 124.010 122.820 0.061 0.000 1.930 190 A HA -0.205 4.114 4.320 -0.000 0.000 0.217 190 A C 1.951 179.581 177.584 0.076 0.000 1.175 190 A CA 1.901 53.970 52.037 0.054 0.000 0.627 190 A CB -0.487 18.537 19.000 0.041 0.000 0.815 190 A HN 0.146 nan 8.150 nan 0.000 0.443 191 D N -0.333 120.137 120.400 0.117 0.000 2.097 191 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 191 D C 1.323 177.785 176.300 0.270 0.000 0.984 191 D CA 1.515 55.629 54.000 0.189 0.000 0.826 191 D CB -0.137 40.805 40.800 0.238 0.000 0.973 191 D HN 0.318 nan 8.370 nan 0.000 0.460 192 D N -0.207 120.325 120.400 0.220 0.000 2.104 192 D HA -0.132 4.507 4.640 -0.000 0.000 0.194 192 D C 2.019 178.430 176.300 0.186 0.000 0.994 192 D CA 1.550 55.681 54.000 0.219 0.000 0.830 192 D CB -0.621 40.260 40.800 0.135 0.000 0.959 192 D HN 0.321 nan 8.370 nan 0.000 0.452 193 A N 0.652 123.540 122.820 0.115 0.000 1.908 193 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 193 A C 2.141 179.754 177.584 0.048 0.000 1.181 193 A CA 2.047 54.128 52.037 0.073 0.000 0.627 193 A CB -0.577 18.450 19.000 0.043 0.000 0.818 193 A HN 0.185 nan 8.150 nan 0.000 0.445 194 E N -0.761 119.447 120.200 0.013 0.000 2.031 194 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 194 E C 1.706 178.222 176.600 -0.140 0.000 0.994 194 E CA 1.730 58.068 56.400 -0.103 0.000 0.800 194 E CB -0.544 29.049 29.700 -0.178 0.000 0.752 194 E HN 0.712 nan 8.360 nan 0.000 0.447 195 W N 0.795 122.064 121.300 -0.052 0.000 2.338 195 W HA -0.139 4.521 4.660 -0.000 0.000 0.304 195 W C 2.228 178.754 176.519 0.012 0.000 1.212 195 W CA 1.339 58.624 57.345 -0.100 0.000 1.264 195 W CB -0.486 28.956 29.460 -0.030 0.000 1.142 195 W HN 0.270 nan 8.180 nan 0.000 0.512 196 D N -0.118 120.451 120.400 0.282 0.000 2.117 196 D HA -0.213 4.427 4.640 -0.000 0.000 0.197 196 D C 2.153 178.530 176.300 0.129 0.000 0.987 196 D CA 1.507 55.641 54.000 0.224 0.000 0.829 196 D CB -0.170 40.715 40.800 0.141 0.000 0.961 196 D HN -0.025 nan 8.370 nan 0.000 0.460 197 R N -0.415 120.112 120.500 0.044 0.000 2.073 197 R HA -0.069 4.271 4.340 -0.000 0.000 0.234 197 R C 2.417 178.685 176.300 -0.055 0.000 1.134 197 R CA 1.132 57.222 56.100 -0.016 0.000 0.952 197 R CB -0.243 30.025 30.300 -0.053 0.000 0.850 197 R HN 0.257 nan 8.270 nan 0.000 0.433 198 L N -0.698 120.459 121.223 -0.109 0.000 2.056 198 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 198 L C 2.296 179.112 176.870 -0.090 0.000 1.078 198 L CA 1.087 55.814 54.840 -0.188 0.000 0.749 198 L CB -0.609 41.237 42.059 -0.355 0.000 0.901 198 L HN 0.198 nan 8.230 nan 0.000 0.433 199 Y N 0.448 120.753 120.300 0.008 0.000 2.224 199 Y HA -0.231 4.318 4.550 -0.000 0.000 0.289 199 Y C 2.880 178.759 175.900 -0.034 0.000 1.146 199 Y CA 1.495 59.602 58.100 0.013 0.000 1.182 199 Y CB -1.210 37.288 38.460 0.063 0.000 0.983 199 Y HN 0.145 nan 8.280 nan 0.000 0.524 200 T N -0.423 114.205 114.554 0.122 0.000 2.746 200 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 200 T C 1.970 176.631 174.700 -0.065 0.000 1.039 200 T CA 1.643 63.761 62.100 0.030 0.000 1.142 200 T CB -0.172 68.709 68.868 0.020 0.000 0.866 200 T HN 0.207 nan 8.240 nan 0.000 0.444 201 K N 0.926 121.239 120.400 -0.146 0.000 2.026 201 K HA -0.035 4.285 4.320 -0.000 0.000 0.208 201 K C 2.523 178.795 176.600 -0.546 0.000 1.048 201 K CA 1.243 57.312 56.287 -0.364 0.000 0.929 201 K CB -0.338 31.925 32.500 -0.395 0.000 0.713 201 K HN 0.268 nan 8.250 nan 0.000 0.439 202 A N 1.125 123.756 122.820 -0.316 0.000 1.902 202 A HA -0.216 4.103 4.320 -0.000 0.000 0.217 202 A C 1.852 179.431 177.584 -0.009 0.000 1.181 202 A CA 1.852 53.773 52.037 -0.193 0.000 0.623 202 A CB -0.535 18.468 19.000 0.006 0.000 0.818 202 A HN 0.456 nan 8.150 nan 0.000 0.443 203 E N 0.191 120.426 120.200 0.058 0.000 2.153 203 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 203 E C 2.349 179.012 176.600 0.106 0.000 0.988 203 E CA 1.431 57.906 56.400 0.125 0.000 0.811 203 E CB -0.158 29.590 29.700 0.081 0.000 0.746 203 E HN 0.833 nan 8.360 nan 0.000 0.466 204 S N 0.016 115.719 115.700 0.005 0.000 2.387 204 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 204 S C 1.859 176.564 174.600 0.175 0.000 1.026 204 S CA 0.572 58.801 58.200 0.049 0.000 0.972 204 S CB -0.413 62.785 63.200 -0.003 0.000 0.814 204 S HN 0.199 nan 8.310 nan 0.000 0.477 205 Y N 0.634 120.940 120.300 0.009 0.000 2.224 205 Y HA 0.144 4.694 4.550 -0.000 0.000 0.289 205 Y C 1.989 177.900 175.900 0.017 0.000 1.146 205 Y CA -0.263 57.808 58.100 -0.050 0.000 1.182 205 Y CB -1.013 37.331 38.460 -0.193 0.000 0.983 205 Y HN 0.286 nan 8.280 nan 0.000 0.524 206 F N 0.080 120.180 119.950 0.250 0.000 2.664 206 F HA 0.033 4.560 4.527 -0.000 0.000 0.296 206 F C 0.812 176.720 175.800 0.181 0.000 1.125 206 F CA 0.260 58.399 58.000 0.233 0.000 1.444 206 F CB -0.267 38.887 39.000 0.257 0.000 1.114 206 F HN -0.017 nan 8.300 nan 0.000 0.576 207 Q N 0.551 120.539 119.800 0.313 0.000 2.470 207 Q HA -0.184 4.155 4.340 -0.000 0.000 0.294 207 Q C 0.061 176.144 176.000 0.137 0.000 1.356 207 Q CA 0.719 56.630 55.803 0.180 0.000 0.805 207 Q CB -2.705 26.118 28.738 0.141 0.000 1.157 207 Q HN 0.210 nan 8.270 nan 0.000 0.431 208 T N -0.116 114.530 114.554 0.154 0.000 2.919 208 T HA 0.535 4.885 4.350 -0.000 0.000 0.302 208 T C 0.767 175.496 174.700 0.048 0.000 1.031 208 T CA 0.528 62.684 62.100 0.093 0.000 1.127 208 T CB 1.459 70.389 68.868 0.103 0.000 0.952 208 T HN 0.512 nan 8.240 nan 0.000 0.540 209 G N 0.474 109.287 108.800 0.022 0.000 2.623 209 G HA2 0.524 4.484 3.960 -0.000 0.000 0.290 209 G HA3 0.524 4.484 3.960 -0.000 0.000 0.290 209 G C -0.153 174.755 174.900 0.013 0.000 1.437 209 G CA -0.541 44.565 45.100 0.009 0.000 0.798 209 G HN 0.637 nan 8.290 nan 0.000 0.488 210 T N -2.252 112.311 114.554 0.015 0.000 3.393 210 T HA 0.301 4.650 4.350 -0.000 0.000 0.298 210 T C 0.024 174.742 174.700 0.030 0.000 1.004 210 T CA 0.445 62.566 62.100 0.035 0.000 0.956 210 T CB 0.400 69.294 68.868 0.043 0.000 1.182 210 T HN 0.513 nan 8.240 nan 0.000 0.497 211 D N 0.203 120.599 120.400 -0.007 0.000 2.500 211 D HA 0.063 4.703 4.640 -0.000 0.000 0.217 211 D C 1.341 177.574 176.300 -0.111 0.000 1.159 211 D CA -0.069 53.905 54.000 -0.042 0.000 0.828 211 D CB -0.042 40.727 40.800 -0.052 0.000 1.039 211 D HN 0.251 nan 8.370 nan 0.000 0.512 212 Q N -0.462 119.266 119.800 -0.120 0.000 2.436 212 Q HA 0.156 4.496 4.340 -0.000 0.000 0.209 212 Q C 0.237 175.874 176.000 -0.605 0.000 0.965 212 Q CA 0.878 56.481 55.803 -0.334 0.000 0.910 212 Q CB -0.229 28.288 28.738 -0.368 0.000 0.980 212 Q HN 0.297 nan 8.270 nan 0.000 0.491 213 F N -0.416 119.373 119.950 -0.267 0.000 2.735 213 F HA 0.224 4.751 4.527 -0.000 0.000 0.308 213 F C 1.193 176.780 175.800 -0.354 0.000 1.112 213 F CA -0.555 57.233 58.000 -0.353 0.000 1.235 213 F CB 0.453 39.150 39.000 -0.504 0.000 1.027 213 F HN -0.017 nan 8.300 nan 0.000 0.528 214 K N 0.340 120.645 120.400 -0.158 0.000 2.209 214 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 214 K C 0.631 177.149 176.600 -0.136 0.000 1.048 214 K CA 1.654 57.901 56.287 -0.066 0.000 0.940 214 K CB -0.153 32.296 32.500 -0.086 0.000 0.729 214 K HN 0.327 nan 8.250 nan 0.000 0.451 215 E N 1.601 121.622 120.200 -0.297 0.000 2.499 215 E HA 0.045 4.395 4.350 -0.000 0.000 0.199 215 E C -0.574 175.912 176.600 -0.190 0.000 1.016 215 E CA -0.271 55.776 56.400 -0.589 0.000 0.933 215 E CB 0.959 30.198 29.700 -0.769 0.000 1.050 215 E HN 0.222 nan 8.360 nan 0.000 0.462 216 S N 0.717 116.427 115.700 0.016 0.000 2.528 216 S HA 0.173 4.642 4.470 -0.000 0.000 0.277 216 S C 1.169 175.862 174.600 0.155 0.000 1.297 216 S CA -0.436 57.827 58.200 0.104 0.000 1.052 216 S CB 0.570 63.882 63.200 0.187 0.000 0.917 216 S HN 0.193 nan 8.310 nan 0.000 0.492 217 I N 4.660 125.206 120.570 -0.040 0.000 2.286 217 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 217 I C 2.685 178.674 176.117 -0.214 0.000 1.104 217 I CA 0.892 61.945 61.300 -0.412 0.000 1.397 217 I CB -0.168 37.349 38.000 -0.804 0.000 1.072 217 I HN 0.714 nan 8.210 nan 0.000 0.417 218 R N -0.450 119.996 120.500 -0.089 0.000 2.081 218 R HA -0.237 4.103 4.340 -0.000 0.000 0.235 218 R C 2.347 178.690 176.300 0.071 0.000 1.131 218 R CA 1.724 57.817 56.100 -0.011 0.000 0.960 218 R CB -0.707 29.593 30.300 -0.000 0.000 0.856 218 R HN 0.400 nan 8.270 nan 0.000 0.436 219 H N 1.253 120.347 119.070 0.040 0.000 2.289 219 H HA -0.084 4.472 4.556 -0.000 0.000 0.296 219 H C 1.781 177.181 175.328 0.119 0.000 1.091 219 H CA 1.986 58.078 56.048 0.073 0.000 1.274 219 H CB -0.122 29.713 29.762 0.121 0.000 1.364 219 H HN 0.133 nan 8.280 nan 0.000 0.490 220 N N -0.084 118.714 118.700 0.163 0.000 2.270 220 N HA -0.118 4.621 4.740 -0.000 0.000 0.181 220 N C 2.040 177.686 175.510 0.226 0.000 1.016 220 N CA 0.953 54.137 53.050 0.223 0.000 0.870 220 N CB -0.198 38.630 38.487 0.567 0.000 0.979 220 N HN 0.303 nan 8.380 nan 0.000 0.431 221 L N 1.275 122.649 121.223 0.252 0.000 2.012 221 L HA -0.115 4.224 4.340 -0.000 0.000 0.210 221 L C 2.155 179.074 176.870 0.083 0.000 1.073 221 L CA 1.333 56.309 54.840 0.227 0.000 0.748 221 L CB -0.528 41.642 42.059 0.184 0.000 0.891 221 L HN -0.130 nan 8.230 nan 0.000 0.431 222 V N -0.738 119.183 119.914 0.012 0.000 2.307 222 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 222 V C 2.416 178.443 176.094 -0.111 0.000 1.045 222 V CA 1.656 63.930 62.300 -0.043 0.000 1.024 222 V CB -0.612 31.165 31.823 -0.077 0.000 0.651 222 V HN 0.498 nan 8.190 nan 0.000 0.449 223 L N 0.876 122.000 121.223 -0.163 0.000 2.017 223 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 223 L C 2.183 178.991 176.870 -0.104 0.000 1.073 223 L CA 2.020 56.755 54.840 -0.175 0.000 0.745 223 L CB -0.922 40.982 42.059 -0.258 0.000 0.894 223 L HN 0.306 nan 8.230 nan 0.000 0.432 224 N N -0.161 118.522 118.700 -0.029 0.000 2.188 224 N HA -0.194 4.546 4.740 -0.000 0.000 0.184 224 N C 1.821 177.312 175.510 -0.031 0.000 1.018 224 N CA 1.223 54.271 53.050 -0.003 0.000 0.858 224 N CB -0.277 38.236 38.487 0.044 0.000 0.989 224 N HN 0.282 nan 8.380 nan 0.000 0.426 225 K N 1.465 121.845 120.400 -0.033 0.000 2.026 225 K HA 0.047 4.367 4.320 -0.000 0.000 0.208 225 K C 1.948 178.498 176.600 -0.084 0.000 1.048 225 K CA 0.946 57.211 56.287 -0.037 0.000 0.929 225 K CB -0.486 32.012 32.500 -0.004 0.000 0.713 225 K HN 0.113 nan 8.250 nan 0.000 0.439 226 L N 0.118 121.221 121.223 -0.201 0.000 2.056 226 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 226 L C 2.277 178.943 176.870 -0.340 0.000 1.078 226 L CA 1.676 56.269 54.840 -0.411 0.000 0.749 226 L CB -0.847 40.563 42.059 -1.083 0.000 0.901 226 L HN 0.256 nan 8.230 nan 0.000 0.433 227 T N -0.648 113.761 114.554 -0.243 0.000 2.635 227 T HA -0.284 4.066 4.350 -0.000 0.000 0.267 227 T C 1.773 176.519 174.700 0.076 0.000 1.040 227 T CA 1.923 64.047 62.100 0.040 0.000 1.156 227 T CB -0.197 68.707 68.868 0.060 0.000 0.863 227 T HN 0.452 nan 8.240 nan 0.000 0.430 228 E N 0.720 120.929 120.200 0.015 0.000 2.051 228 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 228 E C 2.084 178.682 176.600 -0.005 0.000 0.991 228 E CA 1.099 57.502 56.400 0.007 0.000 0.799 228 E CB -0.033 29.655 29.700 -0.019 0.000 0.748 228 E HN 0.371 nan 8.360 nan 0.000 0.449 229 E N -0.400 119.781 120.200 -0.032 0.000 2.204 229 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 229 E C 0.810 177.261 176.600 -0.249 0.000 0.990 229 E CA 0.928 57.237 56.400 -0.151 0.000 0.821 229 E CB -0.032 29.540 29.700 -0.214 0.000 0.750 229 E HN 0.505 nan 8.360 nan 0.000 0.477 230 Y N 0.331 120.662 120.300 0.051 0.000 2.681 230 Y HA 0.181 4.731 4.550 -0.000 0.000 0.267 230 Y C 0.436 176.399 175.900 0.105 0.000 1.166 230 Y CA -0.476 57.694 58.100 0.117 0.000 1.209 230 Y CB 0.467 39.092 38.460 0.275 0.000 1.161 230 Y HN -0.352 nan 8.280 nan 0.000 0.534 231 K N 0.897 121.392 120.400 0.158 0.000 2.466 231 K HA 0.020 4.340 4.320 -0.000 0.000 0.278 231 K C 1.140 177.797 176.600 0.096 0.000 1.048 231 K CA 1.356 57.710 56.287 0.111 0.000 1.088 231 K CB 0.180 32.714 32.500 0.057 0.000 0.884 231 K HN 0.712 nan 8.250 nan 0.000 0.478 232 G N 3.109 111.965 108.800 0.094 0.000 2.162 232 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.260 232 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.260 232 G C 0.629 175.581 174.900 0.086 0.000 0.976 232 G CA 0.775 45.919 45.100 0.074 0.000 0.655 232 G HN 0.699 nan 8.290 nan 0.000 0.533 233 Q N -1.607 118.268 119.800 0.126 0.000 2.519 233 Q HA 0.292 4.632 4.340 -0.000 0.000 0.248 233 Q C 1.045 177.116 176.000 0.118 0.000 0.804 233 Q CA 0.132 56.017 55.803 0.136 0.000 0.979 233 Q CB 0.996 29.851 28.738 0.194 0.000 1.282 233 Q HN 0.483 nan 8.270 nan 0.000 0.558 234 R N 0.562 121.142 120.500 0.134 0.000 2.668 234 R HA 0.374 4.714 4.340 -0.000 0.000 0.272 234 R C -1.755 174.555 176.300 0.017 0.000 1.019 234 R CA -0.782 55.306 56.100 -0.018 0.000 0.894 234 R CB 1.656 31.751 30.300 -0.342 0.000 1.228 234 R HN -0.052 nan 8.270 nan 0.000 0.460 235 D N 1.650 121.995 120.400 -0.092 0.000 2.177 235 D HA 0.349 4.989 4.640 -0.000 0.000 0.247 235 D C -0.676 175.446 176.300 -0.297 0.000 1.063 235 D CA 0.184 54.153 54.000 -0.052 0.000 0.867 235 D CB 0.900 41.689 40.800 -0.019 0.000 1.168 235 D HN 0.137 nan 8.370 nan 0.000 0.445 236 F N 0.901 120.850 119.950 -0.001 0.000 2.492 236 F HA 0.405 4.932 4.527 -0.000 0.000 0.327 236 F C 0.763 176.572 175.800 0.014 0.000 1.079 236 F CA -0.625 57.368 58.000 -0.011 0.000 0.967 236 F CB 1.607 40.595 39.000 -0.020 0.000 1.169 236 F HN 0.219 nan 8.300 nan 0.000 0.472 237 Q N -0.051 119.847 119.800 0.162 0.000 2.814 237 Q HA 0.339 4.678 4.340 -0.000 0.000 0.322 237 Q C -1.561 174.539 176.000 0.166 0.000 0.861 237 Q CA -1.307 54.580 55.803 0.141 0.000 0.773 237 Q CB 1.705 30.496 28.738 0.088 0.000 1.423 237 Q HN 0.608 nan 8.270 nan 0.000 0.495 238 Q N 0.950 120.872 119.800 0.204 0.000 2.332 238 Q HA 0.259 4.599 4.340 -0.000 0.000 0.263 238 Q C -0.527 175.542 176.000 0.114 0.000 0.979 238 Q CA -0.280 55.663 55.803 0.233 0.000 0.885 238 Q CB 0.553 29.413 28.738 0.202 0.000 1.218 238 Q HN 0.578 nan 8.270 nan 0.000 0.405 239 I N 6.612 127.229 120.570 0.079 0.000 2.906 239 I HA -0.101 4.069 4.170 -0.000 0.000 0.302 239 I C -1.976 174.162 176.117 0.034 0.000 1.220 239 I CA -1.128 60.193 61.300 0.034 0.000 1.441 239 I CB 0.083 38.072 38.000 -0.019 0.000 1.336 239 I HN 0.465 nan 8.210 nan 0.000 0.565 240 P HA 0.251 nan 4.420 nan 0.000 0.271 240 P C -0.917 176.378 177.300 -0.008 0.000 1.226 240 P CA 0.111 63.215 63.100 0.007 0.000 0.765 240 P CB 0.506 32.196 31.700 -0.016 0.000 0.835 241 L N 2.331 123.558 121.223 0.007 0.000 2.408 241 L HA 0.615 4.955 4.340 -0.000 0.000 0.268 241 L C 0.166 177.024 176.870 -0.019 0.000 0.986 241 L CA -1.172 53.668 54.840 0.000 0.000 0.820 241 L CB 2.179 44.309 42.059 0.118 0.000 1.303 241 L HN 0.251 nan 8.230 nan 0.000 0.411 242 A N 3.212 125.979 122.820 -0.088 0.000 2.671 242 A HA 0.750 5.070 4.320 -0.000 0.000 0.306 242 A C 0.048 177.643 177.584 0.017 0.000 1.473 242 A CA 0.230 52.257 52.037 -0.017 0.000 1.155 242 A CB -0.372 18.565 19.000 -0.106 0.000 1.123 242 A HN 0.814 nan 8.150 nan 0.000 0.545 243 A N 1.891 124.692 122.820 -0.033 0.000 2.590 243 A HA 0.728 5.048 4.320 -0.000 0.000 0.294 243 A C -0.539 176.922 177.584 -0.204 0.000 1.046 243 A CA -0.484 51.428 52.037 -0.208 0.000 0.684 243 A CB 0.656 19.307 19.000 -0.581 0.000 1.279 243 A HN 0.737 nan 8.150 nan 0.000 0.415 244 T N 1.324 115.729 114.554 -0.249 0.000 2.890 244 T HA 0.482 4.832 4.350 -0.000 0.000 0.295 244 T C -0.152 174.407 174.700 -0.235 0.000 0.993 244 T CA -0.441 61.549 62.100 -0.184 0.000 0.979 244 T CB 1.242 70.057 68.868 -0.087 0.000 0.967 244 T HN 0.748 nan 8.240 nan 0.000 0.441 245 R N 2.323 122.670 120.500 -0.254 0.000 2.442 245 R HA 0.248 4.588 4.340 -0.000 0.000 0.291 245 R C 0.780 177.003 176.300 -0.128 0.000 1.069 245 R CA -0.350 55.602 56.100 -0.246 0.000 1.022 245 R CB 0.381 30.500 30.300 -0.302 0.000 0.976 245 R HN 0.414 nan 8.270 nan 0.000 0.443 246 R N 1.131 121.605 120.500 -0.044 0.000 2.279 246 R HA 0.134 4.474 4.340 -0.000 0.000 0.195 246 R C 0.156 176.422 176.300 -0.057 0.000 0.905 246 R CA 0.628 56.700 56.100 -0.047 0.000 1.044 246 R CB 0.416 30.675 30.300 -0.069 0.000 1.056 246 R HN 0.765 nan 8.270 nan 0.000 0.535 247 S N -1.443 114.243 115.700 -0.023 0.000 2.636 247 S HA 0.342 4.812 4.470 -0.000 0.000 0.268 247 S C -2.671 171.904 174.600 -0.040 0.000 1.159 247 S CA -1.023 57.158 58.200 -0.032 0.000 0.815 247 S CB 2.074 65.268 63.200 -0.011 0.000 1.130 247 S HN -0.265 nan 8.310 nan 0.000 0.471 248 P HA 0.033 nan 4.420 nan 0.000 0.223 248 P C 0.962 178.240 177.300 -0.037 0.000 1.144 248 P CA 1.686 64.750 63.100 -0.060 0.000 0.783 248 P CB -0.202 31.478 31.700 -0.034 0.000 0.771 249 T N -6.701 107.863 114.554 0.016 0.000 3.145 249 T HA 0.310 4.660 4.350 -0.000 0.000 0.281 249 T C -0.280 174.479 174.700 0.099 0.000 1.003 249 T CA -0.343 61.785 62.100 0.045 0.000 0.901 249 T CB -0.530 68.378 68.868 0.066 0.000 1.112 249 T HN -0.139 nan 8.240 nan 0.000 0.535 250 F N 1.633 121.529 119.950 -0.090 0.000 2.585 250 F HA 0.645 5.172 4.527 -0.000 0.000 0.319 250 F C -1.612 174.071 175.800 -0.196 0.000 1.165 250 F CA -1.298 56.645 58.000 -0.096 0.000 0.949 250 F CB 1.940 40.897 39.000 -0.071 0.000 1.218 250 F HN -0.095 nan 8.300 nan 0.000 0.453 251 V N 5.235 124.875 119.914 -0.456 0.000 2.409 251 V HA 0.297 4.417 4.120 -0.000 0.000 0.291 251 V C -0.325 175.352 176.094 -0.695 0.000 1.020 251 V CA -0.868 61.082 62.300 -0.582 0.000 0.848 251 V CB 1.653 32.930 31.823 -0.909 0.000 0.990 251 V HN 0.719 nan 8.190 nan 0.000 0.430 252 E N 4.543 124.570 120.200 -0.289 0.000 1.996 252 E HA 0.154 4.503 4.350 -0.000 0.000 0.280 252 E C -1.059 175.347 176.600 -0.324 0.000 1.092 252 E CA -0.567 55.770 56.400 -0.105 0.000 0.862 252 E CB 0.415 30.200 29.700 0.141 0.000 1.066 252 E HN 0.628 nan 8.360 nan 0.000 0.396 253 W N 3.055 124.286 121.300 -0.115 0.000 2.216 253 W HA 0.112 4.771 4.660 -0.000 0.000 0.326 253 W C 0.614 177.172 176.519 0.064 0.000 1.319 253 W CA -0.523 56.722 57.345 -0.167 0.000 1.213 253 W CB 0.720 29.844 29.460 -0.560 0.000 1.171 253 W HN 0.307 nan 8.180 nan 0.000 0.557 254 S N 1.757 117.659 115.700 0.337 0.000 2.614 254 S HA 0.638 5.108 4.470 -0.000 0.000 0.265 254 S C 0.208 175.240 174.600 0.721 0.000 1.303 254 S CA -0.522 57.948 58.200 0.450 0.000 1.000 254 S CB 1.188 64.666 63.200 0.463 0.000 0.935 254 S HN 0.535 nan 8.310 nan 0.000 0.551 255 S N -0.401 115.681 115.700 0.637 0.000 2.694 255 S HA 0.664 5.133 4.470 -0.000 0.000 0.273 255 S C 0.816 175.630 174.600 0.356 0.000 1.180 255 S CA -0.313 58.215 58.200 0.546 0.000 0.864 255 S CB 0.397 63.838 63.200 0.402 0.000 1.198 255 S HN 0.744 nan 8.310 nan 0.000 0.499 256 A N 1.663 124.579 122.820 0.160 0.000 1.927 256 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 256 A C 2.010 179.641 177.584 0.079 0.000 1.185 256 A CA 2.288 54.371 52.037 0.078 0.000 0.639 256 A CB -1.593 17.421 19.000 0.024 0.000 0.820 256 A HN 0.855 nan 8.150 nan 0.000 0.451 257 N N -0.689 118.066 118.700 0.092 0.000 2.223 257 N HA -0.142 4.597 4.740 -0.000 0.000 0.185 257 N C 1.525 177.057 175.510 0.037 0.000 1.016 257 N CA 1.961 55.035 53.050 0.039 0.000 0.863 257 N CB -0.230 38.294 38.487 0.063 0.000 0.983 257 N HN 0.478 nan 8.380 nan 0.000 0.429 258 T N 0.456 115.083 114.554 0.122 0.000 2.788 258 T HA -0.056 4.293 4.350 -0.000 0.000 0.268 258 T C 2.073 176.807 174.700 0.056 0.000 1.044 258 T CA 1.082 63.258 62.100 0.126 0.000 1.139 258 T CB -0.183 68.841 68.868 0.259 0.000 0.867 258 T HN 0.048 nan 8.240 nan 0.000 0.454 259 V N -0.392 119.535 119.914 0.023 0.000 2.323 259 V HA 0.140 4.260 4.120 -0.000 0.000 0.244 259 V C 0.518 176.564 176.094 -0.081 0.000 1.041 259 V CA 0.965 63.197 62.300 -0.112 0.000 1.025 259 V CB -0.347 31.356 31.823 -0.200 0.000 0.656 259 V HN 0.470 nan 8.190 nan 0.000 0.451 260 F N 1.076 120.895 119.950 -0.219 0.000 2.588 260 F HA 0.403 4.930 4.527 -0.000 0.000 0.318 260 F C 0.272 175.953 175.800 -0.199 0.000 1.155 260 F CA -1.897 55.946 58.000 -0.261 0.000 0.967 260 F CB 1.484 40.281 39.000 -0.340 0.000 1.236 260 F HN 0.166 nan 8.300 nan 0.000 0.455 261 D N 4.714 124.608 120.400 -0.844 0.000 2.371 261 D HA -0.054 4.586 4.640 -0.000 0.000 0.221 261 D C 1.166 177.167 176.300 -0.498 0.000 0.986 261 D CA 1.077 54.762 54.000 -0.525 0.000 0.899 261 D CB -0.073 40.494 40.800 -0.388 0.000 0.902 261 D HN 0.684 nan 8.370 nan 0.000 0.530 262 L N -1.963 118.769 121.223 -0.819 0.000 4.696 262 L HA -0.239 4.100 4.340 -0.000 0.000 0.425 262 L C -0.170 176.665 176.870 -0.059 0.000 1.115 262 L CA 0.439 55.109 54.840 -0.282 0.000 0.996 262 L CB -1.431 40.627 42.059 -0.002 0.000 2.077 262 L HN 0.220 nan 8.230 nan 0.000 0.792 263 Q N 0.843 120.517 119.800 -0.210 0.000 2.352 263 Q HA 0.239 4.578 4.340 -0.000 0.000 0.260 263 Q C 0.391 176.458 176.000 0.112 0.000 0.976 263 Q CA -0.082 55.685 55.803 -0.059 0.000 0.881 263 Q CB 0.638 29.309 28.738 -0.113 0.000 1.235 263 Q HN 0.126 nan 8.270 nan 0.000 0.419 264 N N 1.793 120.545 118.700 0.087 0.000 2.492 264 N HA 0.141 4.881 4.740 -0.000 0.000 0.260 264 N C -0.293 175.274 175.510 0.094 0.000 1.215 264 N CA 0.282 53.388 53.050 0.093 0.000 0.923 264 N CB 0.668 39.114 38.487 -0.067 0.000 1.092 264 N HN 0.253 nan 8.380 nan 0.000 0.448 265 R N 1.208 121.790 120.500 0.136 0.000 2.807 265 R HA 0.491 4.831 4.340 -0.000 0.000 0.276 265 R C -2.456 173.885 176.300 0.068 0.000 0.979 265 R CA -1.704 54.461 56.100 0.107 0.000 0.928 265 R CB 1.641 32.036 30.300 0.157 0.000 1.191 265 R HN 0.355 nan 8.270 nan 0.000 0.471 266 P HA 0.049 nan 4.420 nan 0.000 0.269 266 P C -1.256 176.090 177.300 0.078 0.000 1.209 266 P CA -0.106 63.066 63.100 0.119 0.000 0.776 266 P CB 0.538 32.364 31.700 0.210 0.000 0.876 267 N N -1.043 117.694 118.700 0.062 0.000 2.902 267 N HA 0.269 5.009 4.740 -0.000 0.000 0.268 267 N C 0.484 176.010 175.510 0.027 0.000 1.450 267 N CA -0.758 52.312 53.050 0.033 0.000 0.819 267 N CB -0.492 38.002 38.487 0.013 0.000 1.540 267 N HN 0.033 nan 8.380 nan 0.000 0.545 268 T N -0.773 113.789 114.554 0.012 0.000 2.720 268 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 268 T C 0.266 174.969 174.700 0.005 0.000 1.037 268 T CA 1.620 63.724 62.100 0.008 0.000 1.144 268 T CB -0.440 68.427 68.868 -0.000 0.000 0.864 268 T HN 0.532 nan 8.240 nan 0.000 0.444 269 D N 1.042 121.440 120.400 -0.003 0.000 2.347 269 D HA 0.222 4.862 4.640 -0.000 0.000 0.213 269 D C 0.738 177.039 176.300 0.002 0.000 0.985 269 D CA 0.303 54.298 54.000 -0.008 0.000 0.879 269 D CB 0.193 40.978 40.800 -0.024 0.000 0.919 269 D HN 0.391 nan 8.370 nan 0.000 0.526 270 A N 1.229 124.059 122.820 0.017 0.000 3.409 270 A HA 0.347 4.667 4.320 -0.000 0.000 0.282 270 A C -2.072 175.555 177.584 0.072 0.000 1.064 270 A CA -0.826 51.234 52.037 0.039 0.000 0.889 270 A CB 0.932 19.953 19.000 0.035 0.000 1.251 270 A HN -0.177 nan 8.150 nan 0.000 0.538 271 P HA -0.047 nan 4.420 nan 0.000 0.233 271 P C 0.562 177.972 177.300 0.182 0.000 1.167 271 P CA 1.118 64.276 63.100 0.096 0.000 0.770 271 P CB 0.295 32.023 31.700 0.047 0.000 0.837 272 E N -0.522 119.792 120.200 0.189 0.000 2.501 272 E HA 0.114 4.463 4.350 -0.000 0.000 0.201 272 E C 0.155 176.930 176.600 0.291 0.000 1.016 272 E CA -0.070 56.528 56.400 0.330 0.000 0.920 272 E CB 0.316 30.131 29.700 0.192 0.000 1.023 272 E HN 0.447 nan 8.360 nan 0.000 0.474 273 E N 1.160 121.461 120.200 0.168 0.000 2.227 273 E HA 0.438 4.788 4.350 -0.000 0.000 0.268 273 E C -0.295 176.304 176.600 -0.003 0.000 0.990 273 E CA -0.591 55.852 56.400 0.072 0.000 0.856 273 E CB 1.428 31.181 29.700 0.090 0.000 1.159 273 E HN -0.087 nan 8.360 nan 0.000 0.401 274 R N 1.883 122.359 120.500 -0.040 0.000 2.468 274 R HA 0.412 4.752 4.340 -0.000 0.000 0.302 274 R C -1.553 174.810 176.300 0.105 0.000 1.041 274 R CA -0.506 55.549 56.100 -0.075 0.000 0.899 274 R CB 0.932 31.054 30.300 -0.296 0.000 1.167 274 R HN 0.394 nan 8.270 nan 0.000 0.483 275 F N 2.086 122.006 119.950 -0.051 0.000 2.596 275 F HA 0.459 4.986 4.527 -0.000 0.000 0.311 275 F C -1.640 174.086 175.800 -0.124 0.000 1.116 275 F CA -0.664 57.303 58.000 -0.056 0.000 0.957 275 F CB 2.120 41.154 39.000 0.056 0.000 1.250 275 F HN 0.385 nan 8.300 nan 0.000 0.444 276 N N 4.677 122.661 118.700 -1.194 0.000 2.371 276 N HA 0.567 5.306 4.740 -0.000 0.000 0.291 276 N C -2.107 172.359 175.510 -1.740 0.000 1.053 276 N CA -0.630 51.672 53.050 -1.248 0.000 0.870 276 N CB 2.367 40.312 38.487 -0.904 0.000 1.503 276 N HN 0.566 nan 8.380 nan 0.000 0.485 277 L N 2.665 123.075 121.223 -1.356 0.000 2.282 277 L HA 0.651 4.991 4.340 -0.000 0.000 0.288 277 L C -1.693 174.647 176.870 -0.882 0.000 1.033 277 L CA -0.289 54.031 54.840 -0.867 0.000 0.807 277 L CB 0.145 42.044 42.059 -0.268 0.000 1.209 277 L HN 0.466 nan 8.230 nan 0.000 0.423 278 F N 6.393 126.099 119.950 -0.406 0.000 2.434 278 F HA 0.549 5.075 4.527 -0.000 0.000 0.367 278 F C -2.175 173.576 175.800 -0.082 0.000 1.093 278 F CA -1.957 55.897 58.000 -0.242 0.000 1.085 278 F CB 0.926 39.750 39.000 -0.293 0.000 1.322 278 F HN 0.416 nan 8.300 nan 0.000 0.452 279 P HA 0.342 nan 4.420 nan 0.000 0.276 279 P C -0.062 177.297 177.300 0.097 0.000 1.252 279 P CA -0.205 62.941 63.100 0.078 0.000 0.802 279 P CB 1.126 32.849 31.700 0.039 0.000 1.035 280 A N -0.789 122.070 122.820 0.066 0.000 2.791 280 A HA -0.103 4.217 4.320 -0.000 0.000 0.292 280 A C -0.067 177.543 177.584 0.044 0.000 1.487 280 A CA 0.688 52.754 52.037 0.048 0.000 0.760 280 A CB -2.422 16.606 19.000 0.047 0.000 1.031 280 A HN 0.256 nan 8.150 nan 0.000 0.503 281 V N -0.102 119.854 119.914 0.070 0.000 2.376 281 V HA 0.662 4.782 4.120 -0.000 0.000 0.287 281 V C 0.652 176.749 176.094 0.005 0.000 1.015 281 V CA -0.340 61.998 62.300 0.063 0.000 0.834 281 V CB 1.433 33.381 31.823 0.208 0.000 1.001 281 V HN 1.483 nan 8.190 nan 0.000 0.428 282 A N 4.169 126.961 122.820 -0.046 0.000 2.409 282 A HA 0.434 4.754 4.320 -0.000 0.000 0.267 282 A C 0.132 177.686 177.584 -0.050 0.000 1.127 282 A CA -0.118 51.883 52.037 -0.060 0.000 0.795 282 A CB -0.008 18.989 19.000 -0.006 0.000 1.061 282 A HN 0.865 nan 8.150 nan 0.000 0.502 283 C N 2.927 122.179 119.300 -0.080 0.000 2.325 283 C HA 0.344 4.804 4.460 -0.000 0.000 0.347 283 C C 1.387 176.352 174.990 -0.041 0.000 1.263 283 C CA -0.286 58.674 59.018 -0.098 0.000 1.806 283 C CB -0.374 27.302 27.740 -0.106 0.000 2.405 283 C HN 1.035 nan 8.230 nan 0.000 0.537 284 E N 1.306 121.513 120.200 0.012 0.000 2.244 284 E HA 0.077 4.427 4.350 -0.000 0.000 0.196 284 E C 0.521 177.121 176.600 0.001 0.000 0.939 284 E CA 0.454 56.875 56.400 0.035 0.000 0.884 284 E CB 0.434 30.205 29.700 0.118 0.000 0.850 284 E HN 0.772 nan 8.360 nan 0.000 0.481 285 R N -0.293 120.215 120.500 0.015 0.000 2.709 285 R HA 0.369 4.709 4.340 -0.000 0.000 0.270 285 R C -0.926 175.363 176.300 -0.020 0.000 1.038 285 R CA -0.796 55.293 56.100 -0.018 0.000 0.872 285 R CB 0.837 31.113 30.300 -0.040 0.000 1.259 285 R HN -0.073 nan 8.270 nan 0.000 0.473 286 V N -0.617 119.267 119.914 -0.050 0.000 2.539 286 V HA 0.666 4.785 4.120 -0.000 0.000 0.292 286 V C -0.021 176.022 176.094 -0.087 0.000 1.045 286 V CA -0.835 61.400 62.300 -0.107 0.000 0.945 286 V CB 1.699 33.416 31.823 -0.177 0.000 0.993 286 V HN 0.499 nan 8.190 nan 0.000 0.464 287 V N 5.413 125.260 119.914 -0.112 0.000 2.350 287 V HA 0.484 4.604 4.120 -0.000 0.000 0.276 287 V C 0.550 176.610 176.094 -0.057 0.000 1.028 287 V CA -0.478 61.779 62.300 -0.071 0.000 0.860 287 V CB 0.880 32.679 31.823 -0.039 0.000 0.990 287 V HN 0.954 nan 8.190 nan 0.000 0.453 288 R N 3.567 124.049 120.500 -0.029 0.000 2.500 288 R HA 0.377 4.716 4.340 -0.000 0.000 0.275 288 R C 0.144 176.471 176.300 0.044 0.000 1.051 288 R CA -0.689 55.450 56.100 0.066 0.000 1.088 288 R CB 0.779 31.099 30.300 0.033 0.000 1.063 288 R HN 0.843 nan 8.270 nan 0.000 0.511 289 N N 0.925 119.668 118.700 0.072 0.000 2.381 289 N HA 0.042 4.782 4.740 -0.000 0.000 0.254 289 N C 0.534 176.040 175.510 -0.006 0.000 1.264 289 N CA -0.076 52.988 53.050 0.023 0.000 0.942 289 N CB 0.534 39.033 38.487 0.020 0.000 1.190 289 N HN 0.583 nan 8.380 nan 0.000 0.495 290 A N 0.402 123.212 122.820 -0.017 0.000 1.978 290 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 290 A C 2.135 179.693 177.584 -0.044 0.000 1.170 290 A CA 1.034 53.054 52.037 -0.029 0.000 0.636 290 A CB -0.830 18.156 19.000 -0.023 0.000 0.810 290 A HN 0.651 nan 8.150 nan 0.000 0.448 291 L N -1.110 120.081 121.223 -0.055 0.000 2.492 291 L HA -0.001 4.339 4.340 -0.000 0.000 0.223 291 L C 0.101 176.884 176.870 -0.146 0.000 1.132 291 L CA 0.042 54.833 54.840 -0.082 0.000 0.850 291 L CB -0.316 41.697 42.059 -0.075 0.000 0.966 291 L HN 0.405 nan 8.230 nan 0.000 0.454 292 N N -0.006 118.594 118.700 -0.167 0.000 2.740 292 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 292 N C 0.867 175.846 175.510 -0.885 0.000 1.062 292 N CA 1.026 53.876 53.050 -0.334 0.000 0.704 292 N CB -1.209 37.190 38.487 -0.147 0.000 0.968 292 N HN 0.523 nan 8.380 nan 0.000 0.547 293 S N -1.891 113.434 115.700 -0.625 0.000 2.632 293 S HA 0.265 4.735 4.470 -0.000 0.000 0.237 293 S C 0.271 174.694 174.600 -0.295 0.000 1.037 293 S CA -0.104 57.781 58.200 -0.525 0.000 1.009 293 S CB 1.569 64.638 63.200 -0.217 0.000 0.974 293 S HN 0.400 nan 8.310 nan 0.000 0.544 294 E N 0.341 120.500 120.200 -0.068 0.000 2.378 294 E HA 0.390 4.739 4.350 -0.000 0.000 0.283 294 E C -1.749 175.036 176.600 0.308 0.000 0.979 294 E CA -0.818 55.711 56.400 0.215 0.000 0.795 294 E CB 1.229 31.006 29.700 0.128 0.000 1.221 294 E HN 0.099 nan 8.360 nan 0.000 0.428 295 I N 3.608 124.323 120.570 0.242 0.000 2.365 295 I HA 0.148 4.317 4.170 -0.000 0.000 0.291 295 I C 0.863 176.943 176.117 -0.061 0.000 1.004 295 I CA 0.042 61.308 61.300 -0.056 0.000 1.311 295 I CB 1.240 38.957 38.000 -0.470 0.000 1.401 295 I HN 0.693 nan 8.210 nan 0.000 0.491 296 E N 3.185 123.340 120.200 -0.076 0.000 2.389 296 E HA 0.094 4.443 4.350 -0.000 0.000 0.199 296 E C 0.278 176.911 176.600 0.055 0.000 0.978 296 E CA 0.325 56.747 56.400 0.036 0.000 0.912 296 E CB 0.620 30.343 29.700 0.037 0.000 0.907 296 E HN 0.731 nan 8.360 nan 0.000 0.494 297 S N -0.520 115.128 115.700 -0.086 0.000 2.627 297 S HA 0.472 4.942 4.470 -0.000 0.000 0.268 297 S C -1.658 172.907 174.600 -0.058 0.000 1.130 297 S CA -1.058 57.169 58.200 0.044 0.000 0.819 297 S CB 1.096 64.352 63.200 0.093 0.000 1.100 297 S HN 0.007 nan 8.310 nan 0.000 0.465 298 L N 1.656 122.938 121.223 0.099 0.000 2.341 298 L HA 0.704 5.044 4.340 -0.000 0.000 0.278 298 L C -0.928 175.943 176.870 0.001 0.000 1.005 298 L CA -0.184 54.678 54.840 0.036 0.000 0.818 298 L CB 1.530 43.634 42.059 0.074 0.000 1.259 298 L HN 1.015 nan 8.230 nan 0.000 0.418 299 H N 4.958 123.983 119.070 -0.075 0.000 2.552 299 H HA 0.648 5.204 4.556 -0.000 0.000 0.311 299 H C -0.482 174.789 175.328 -0.095 0.000 1.071 299 H CA -0.320 55.689 56.048 -0.065 0.000 1.307 299 H CB 0.751 30.479 29.762 -0.056 0.000 1.416 299 H HN 0.645 nan 8.280 nan 0.000 0.464 300 I N 1.149 121.498 120.570 -0.369 0.000 2.957 300 I HA 0.459 4.628 4.170 -0.000 0.000 0.310 300 I C -1.055 175.005 176.117 -0.095 0.000 1.063 300 I CA -0.992 60.172 61.300 -0.226 0.000 1.033 300 I CB 2.562 40.327 38.000 -0.392 0.000 1.230 300 I HN 0.643 nan 8.210 nan 0.000 0.447 301 H N 2.403 121.419 119.070 -0.090 0.000 3.078 301 H HA 0.199 4.755 4.556 -0.000 0.000 0.319 301 H C -1.625 173.720 175.328 0.028 0.000 0.995 301 H CA -0.686 55.346 56.048 -0.025 0.000 1.417 301 H CB 1.397 31.169 29.762 0.016 0.000 1.598 301 H HN 0.793 nan 8.280 nan 0.000 0.515 302 D N 5.771 126.214 120.400 0.072 0.000 2.339 302 D HA 0.011 4.650 4.640 -0.000 0.000 0.256 302 D C 1.105 177.285 176.300 -0.200 0.000 1.214 302 D CA -0.147 53.856 54.000 0.005 0.000 0.877 302 D CB 1.066 41.966 40.800 0.166 0.000 1.111 302 D HN 0.677 nan 8.370 nan 0.000 0.478 303 L N 4.023 125.108 121.223 -0.230 0.000 2.291 303 L HA -0.109 4.230 4.340 -0.000 0.000 0.214 303 L C 1.879 178.701 176.870 -0.079 0.000 1.120 303 L CA 0.188 54.882 54.840 -0.243 0.000 0.799 303 L CB -0.089 41.903 42.059 -0.113 0.000 0.925 303 L HN 0.506 nan 8.230 nan 0.000 0.446 304 I N -0.504 120.056 120.570 -0.018 0.000 2.429 304 I HA -0.125 4.045 4.170 -0.000 0.000 0.247 304 I C 2.736 178.872 176.117 0.031 0.000 1.099 304 I CA 1.571 62.881 61.300 0.017 0.000 1.422 304 I CB -1.105 36.916 38.000 0.036 0.000 1.112 304 I HN 0.260 nan 8.210 nan 0.000 0.430 305 S N 0.287 116.017 115.700 0.049 0.000 2.446 305 S HA 0.128 4.598 4.470 -0.000 0.000 0.225 305 S C 1.858 176.498 174.600 0.067 0.000 1.016 305 S CA 0.874 59.113 58.200 0.065 0.000 0.943 305 S CB 0.114 63.373 63.200 0.098 0.000 0.786 305 S HN 0.566 nan 8.310 nan 0.000 0.508 306 G N 1.066 109.916 108.800 0.084 0.000 2.225 306 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.254 306 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.254 306 G C -0.403 174.607 174.900 0.183 0.000 0.988 306 G CA 0.156 45.367 45.100 0.184 0.000 0.625 306 G HN 0.579 nan 8.290 nan 0.000 0.527 307 D N 0.844 121.288 120.400 0.074 0.000 2.372 307 D HA 0.497 5.137 4.640 -0.000 0.000 0.243 307 D C 1.001 177.203 176.300 -0.165 0.000 1.121 307 D CA 0.258 54.182 54.000 -0.126 0.000 0.898 307 D CB 0.599 41.246 40.800 -0.256 0.000 1.202 307 D HN 0.455 nan 8.370 nan 0.000 0.428 308 R N 0.940 121.196 120.500 -0.408 0.000 2.664 308 R HA 0.659 4.999 4.340 -0.000 0.000 0.286 308 R C -0.714 175.127 176.300 -0.764 0.000 0.967 308 R CA -0.689 55.167 56.100 -0.407 0.000 0.933 308 R CB 1.282 31.431 30.300 -0.251 0.000 1.146 308 R HN 0.288 nan 8.270 nan 0.000 0.468 309 F N -0.167 119.599 119.950 -0.306 0.000 2.613 309 F HA 0.288 4.815 4.527 -0.000 0.000 0.310 309 F C -0.070 175.519 175.800 -0.351 0.000 1.085 309 F CA -0.964 56.890 58.000 -0.242 0.000 0.945 309 F CB 1.996 40.884 39.000 -0.187 0.000 1.298 309 F HN 0.170 nan 8.300 nan 0.000 0.455 310 E N 2.874 123.084 120.200 0.018 0.000 2.134 310 E HA 0.395 4.745 4.350 -0.000 0.000 0.278 310 E C -0.849 175.791 176.600 0.066 0.000 0.959 310 E CA -0.393 56.018 56.400 0.019 0.000 0.783 310 E CB 1.990 31.738 29.700 0.080 0.000 1.095 310 E HN 0.296 nan 8.360 nan 0.000 0.399 311 I N 2.772 123.368 120.570 0.044 0.000 2.359 311 I HA 0.259 4.429 4.170 -0.000 0.000 0.294 311 I C 0.547 176.775 176.117 0.185 0.000 0.987 311 I CA -0.576 60.782 61.300 0.096 0.000 1.225 311 I CB 1.089 39.117 38.000 0.047 0.000 1.366 311 I HN 0.131 nan 8.210 nan 0.000 0.466 312 K N 4.386 124.893 120.400 0.180 0.000 2.164 312 K HA 0.837 5.157 4.320 -0.000 0.000 0.258 312 K C -0.693 175.981 176.600 0.123 0.000 0.951 312 K CA -0.493 55.915 56.287 0.201 0.000 0.844 312 K CB 2.773 35.355 32.500 0.137 0.000 1.099 312 K HN 0.791 nan 8.250 nan 0.000 0.435 313 A N 1.632 124.449 122.820 -0.005 0.000 2.564 313 A HA 0.356 4.675 4.320 -0.000 0.000 0.288 313 A C -0.290 177.177 177.584 -0.195 0.000 1.164 313 A CA -0.608 51.295 52.037 -0.223 0.000 0.712 313 A CB 0.995 19.648 19.000 -0.577 0.000 1.303 313 A HN 0.668 nan 8.150 nan 0.000 0.418 314 D N -0.626 119.688 120.400 -0.143 0.000 2.213 314 D HA 0.122 4.762 4.640 -0.000 0.000 0.205 314 D C 0.261 176.434 176.300 -0.212 0.000 0.961 314 D CA 1.507 55.482 54.000 -0.042 0.000 0.853 314 D CB 0.264 41.111 40.800 0.080 0.000 0.967 314 D HN 0.191 nan 8.370 nan 0.000 0.496 315 V N 0.844 120.482 119.914 -0.460 0.000 2.540 315 V HA 0.281 4.401 4.120 -0.000 0.000 0.302 315 V C -1.229 174.566 176.094 -0.497 0.000 1.035 315 V CA -0.828 61.190 62.300 -0.471 0.000 0.873 315 V CB 1.764 33.188 31.823 -0.665 0.000 0.992 315 V HN -0.050 nan 8.190 nan 0.000 0.428 316 Y N 2.911 123.190 120.300 -0.036 0.000 2.328 316 Y HA 0.682 5.232 4.550 -0.000 0.000 0.336 316 Y C -0.146 175.722 175.900 -0.053 0.000 0.960 316 Y CA -0.903 57.171 58.100 -0.044 0.000 1.134 316 Y CB 2.116 40.554 38.460 -0.037 0.000 1.166 316 Y HN 0.343 nan 8.280 nan 0.000 0.464 317 V N 5.487 125.366 119.914 -0.058 0.000 2.444 317 V HA 0.379 4.498 4.120 -0.000 0.000 0.294 317 V C -0.439 175.530 176.094 -0.209 0.000 1.022 317 V CA -0.924 61.237 62.300 -0.232 0.000 0.850 317 V CB 1.633 33.110 31.823 -0.577 0.000 0.992 317 V HN 0.599 nan 8.190 nan 0.000 0.426 318 L N 5.202 126.305 121.223 -0.201 0.000 2.255 318 L HA 0.543 4.883 4.340 -0.000 0.000 0.289 318 L C 0.464 177.239 176.870 -0.157 0.000 1.046 318 L CA -0.122 54.618 54.840 -0.166 0.000 0.816 318 L CB 1.389 43.331 42.059 -0.194 0.000 1.197 318 L HN 0.828 nan 8.230 nan 0.000 0.427 319 T N -1.673 112.820 114.554 -0.100 0.000 3.584 319 T HA 0.328 4.678 4.350 -0.000 0.000 0.259 319 T C 0.665 175.371 174.700 0.009 0.000 1.009 319 T CA -0.110 61.967 62.100 -0.038 0.000 1.103 319 T CB 0.931 69.771 68.868 -0.046 0.000 1.099 319 T HN 0.532 nan 8.240 nan 0.000 0.539 320 A N 0.854 123.689 122.820 0.025 0.000 2.302 320 A HA 0.747 5.066 4.320 -0.000 0.000 0.219 320 A C 1.405 179.065 177.584 0.126 0.000 1.243 320 A CA 0.109 52.183 52.037 0.062 0.000 0.856 320 A CB -0.910 18.123 19.000 0.055 0.000 0.893 320 A HN 1.716 nan 8.150 nan 0.000 0.491 321 G N -2.596 106.276 108.800 0.120 0.000 2.699 321 G HA2 0.249 4.209 3.960 -0.000 0.000 0.686 321 G HA3 0.249 4.209 3.960 -0.000 0.000 0.686 321 G C 0.745 175.740 174.900 0.157 0.000 1.301 321 G CA -0.326 44.854 45.100 0.133 0.000 0.816 321 G HN 1.284 nan 8.290 nan 0.000 0.595 322 A N -0.346 122.549 122.820 0.126 0.000 1.933 322 A HA 0.220 4.539 4.320 -0.000 0.000 0.218 322 A C 2.646 180.303 177.584 0.122 0.000 1.175 322 A CA 3.125 55.226 52.037 0.106 0.000 0.628 322 A CB -0.332 18.699 19.000 0.052 0.000 0.814 322 A HN 1.590 nan 8.150 nan 0.000 0.444 323 V N -0.946 118.996 119.914 0.048 0.000 2.407 323 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 323 V C 2.178 178.218 176.094 -0.090 0.000 1.041 323 V CA 2.121 64.404 62.300 -0.028 0.000 1.040 323 V CB -0.990 30.730 31.823 -0.171 0.000 0.671 323 V HN 0.735 nan 8.190 nan 0.000 0.455 324 H N -0.334 118.806 119.070 0.117 0.000 2.512 324 H HA 0.014 4.570 4.556 -0.000 0.000 0.279 324 H C 2.241 177.561 175.328 -0.013 0.000 0.999 324 H CA 0.839 56.909 56.048 0.036 0.000 1.283 324 H CB 0.107 29.873 29.762 0.006 0.000 1.421 324 H HN 0.319 nan 8.280 nan 0.000 0.554 325 N N -0.135 118.632 118.700 0.112 0.000 2.084 325 N HA -0.117 4.623 4.740 -0.000 0.000 0.190 325 N C 1.756 177.247 175.510 -0.032 0.000 1.030 325 N CA 1.774 54.831 53.050 0.012 0.000 0.849 325 N CB -0.479 38.015 38.487 0.012 0.000 1.012 325 N HN 0.305 nan 8.380 nan 0.000 0.423 326 T N 0.992 115.592 114.554 0.077 0.000 2.746 326 T HA -0.153 4.196 4.350 -0.000 0.000 0.267 326 T C 1.859 176.407 174.700 -0.254 0.000 1.039 326 T CA 1.008 63.139 62.100 0.052 0.000 1.142 326 T CB -0.241 68.798 68.868 0.285 0.000 0.866 326 T HN 0.316 nan 8.240 nan 0.000 0.444 327 Q N 0.116 119.646 119.800 -0.450 0.000 2.077 327 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 327 Q C 2.287 178.027 176.000 -0.434 0.000 0.989 327 Q CA 1.377 56.655 55.803 -0.874 0.000 0.853 327 Q CB -0.266 28.266 28.738 -0.343 0.000 0.907 327 Q HN 0.346 nan 8.270 nan 0.000 0.418 328 L N 0.578 121.675 121.223 -0.210 0.000 2.093 328 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 328 L C 1.942 178.741 176.870 -0.119 0.000 1.085 328 L CA 1.497 56.256 54.840 -0.136 0.000 0.755 328 L CB -0.982 41.019 42.059 -0.097 0.000 0.904 328 L HN 0.336 nan 8.230 nan 0.000 0.435 329 L N -1.394 119.740 121.223 -0.147 0.000 2.017 329 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 329 L C 2.511 179.417 176.870 0.059 0.000 1.073 329 L CA 1.070 55.859 54.840 -0.085 0.000 0.745 329 L CB -0.624 41.285 42.059 -0.251 0.000 0.894 329 L HN 0.060 nan 8.230 nan 0.000 0.432 330 V N -0.022 119.853 119.914 -0.065 0.000 2.407 330 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 330 V C 2.124 178.200 176.094 -0.030 0.000 1.055 330 V CA 2.001 64.289 62.300 -0.020 0.000 1.049 330 V CB -0.737 31.040 31.823 -0.077 0.000 0.662 330 V HN 0.487 nan 8.190 nan 0.000 0.455 331 N N 0.086 118.729 118.700 -0.094 0.000 2.381 331 N HA -0.105 4.634 4.740 -0.000 0.000 0.182 331 N C 1.619 177.107 175.510 -0.038 0.000 1.025 331 N CA 1.241 54.252 53.050 -0.065 0.000 0.888 331 N CB -0.067 38.369 38.487 -0.086 0.000 0.965 331 N HN 0.406 nan 8.380 nan 0.000 0.438 332 S N -1.514 114.187 115.700 0.002 0.000 2.575 332 S HA 0.302 4.771 4.470 -0.000 0.000 0.215 332 S C 1.119 175.684 174.600 -0.059 0.000 0.966 332 S CA 0.345 58.550 58.200 0.008 0.000 0.911 332 S CB 0.464 63.724 63.200 0.101 0.000 0.780 332 S HN 0.556 nan 8.310 nan 0.000 0.514 333 G N 1.021 109.795 108.800 -0.043 0.000 2.159 333 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.227 333 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.227 333 G C -0.073 174.722 174.900 -0.175 0.000 0.986 333 G CA -0.584 44.445 45.100 -0.119 0.000 0.651 333 G HN 0.416 nan 8.290 nan 0.000 0.523 334 F N 1.000 120.927 119.950 -0.038 0.000 2.389 334 F HA 0.527 5.053 4.527 -0.000 0.000 0.337 334 F C 1.590 177.402 175.800 0.019 0.000 1.112 334 F CA 1.126 59.116 58.000 -0.016 0.000 1.192 334 F CB 1.076 40.039 39.000 -0.062 0.000 1.185 334 F HN 0.799 nan 8.300 nan 0.000 0.552 335 G N 2.396 111.336 108.800 0.233 0.000 2.547 335 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.271 335 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.271 335 G C -0.959 174.015 174.900 0.123 0.000 1.209 335 G CA 0.151 45.356 45.100 0.176 0.000 0.959 335 G HN 0.984 nan 8.290 nan 0.000 0.563 336 Q N -1.498 118.379 119.800 0.128 0.000 2.416 336 Q HA 0.751 5.091 4.340 -0.000 0.000 0.281 336 Q C -1.228 174.859 176.000 0.145 0.000 1.067 336 Q CA -1.172 54.691 55.803 0.100 0.000 0.809 336 Q CB 2.276 31.050 28.738 0.060 0.000 1.418 336 Q HN 1.010 nan 8.270 nan 0.000 0.411 337 L N 1.424 122.723 121.223 0.127 0.000 2.350 337 L HA 0.755 5.095 4.340 -0.000 0.000 0.275 337 L C 0.414 177.377 176.870 0.155 0.000 1.099 337 L CA 1.987 56.932 54.840 0.175 0.000 0.808 337 L CB 1.037 43.170 42.059 0.123 0.000 1.149 337 L HN 1.010 nan 8.230 nan 0.000 0.442 338 G N 3.560 112.510 108.800 0.249 0.000 2.631 338 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.504 338 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.504 338 G C -0.644 174.184 174.900 -0.121 0.000 1.306 338 G CA -0.393 44.806 45.100 0.165 0.000 0.897 338 G HN 0.836 nan 8.290 nan 0.000 0.520 339 R N 0.854 121.044 120.500 -0.518 0.000 2.449 339 R HA 0.433 4.773 4.340 -0.000 0.000 0.296 339 R C -1.863 174.036 176.300 -0.669 0.000 1.047 339 R CA -0.772 54.599 56.100 -1.214 0.000 1.018 339 R CB 0.117 29.927 30.300 -0.816 0.000 0.962 339 R HN 0.374 nan 8.270 nan 0.000 0.428 340 P HA 0.133 nan 4.420 nan 0.000 0.274 340 P C -1.394 175.763 177.300 -0.237 0.000 1.237 340 P CA -0.338 62.571 63.100 -0.318 0.000 0.793 340 P CB 0.609 32.170 31.700 -0.233 0.000 0.977 341 N N 0.920 119.536 118.700 -0.140 0.000 2.549 341 N HA 0.261 5.001 4.740 -0.000 0.000 0.290 341 N C -2.187 173.287 175.510 -0.061 0.000 1.122 341 N CA -1.516 51.474 53.050 -0.101 0.000 0.885 341 N CB 1.139 39.573 38.487 -0.089 0.000 1.455 341 N HN 0.075 nan 8.380 nan 0.000 0.521 342 P HA -0.078 nan 4.420 nan 0.000 0.223 342 P C 0.647 177.934 177.300 -0.021 0.000 1.144 342 P CA 0.690 63.772 63.100 -0.029 0.000 0.783 342 P CB 0.277 31.961 31.700 -0.028 0.000 0.771 343 A N -1.211 121.593 122.820 -0.027 0.000 2.119 343 A HA -0.068 4.251 4.320 -0.000 0.000 0.216 343 A C 1.268 178.841 177.584 -0.018 0.000 1.152 343 A CA 0.724 52.748 52.037 -0.021 0.000 0.708 343 A CB -0.597 18.389 19.000 -0.023 0.000 0.805 343 A HN 0.161 nan 8.150 nan 0.000 0.460 344 N N 0.329 119.016 118.700 -0.021 0.000 2.716 344 N HA 0.282 5.021 4.740 -0.000 0.000 0.253 344 N C -3.509 171.996 175.510 -0.008 0.000 1.170 344 N CA -1.322 51.719 53.050 -0.014 0.000 0.807 344 N CB 1.399 39.876 38.487 -0.017 0.000 1.183 344 N HN -0.047 nan 8.380 nan 0.000 0.524 345 P HA 0.362 nan 4.420 nan 0.000 0.284 345 P C -2.514 174.800 177.300 0.023 0.000 1.253 345 P CA -1.027 62.081 63.100 0.014 0.000 0.800 345 P CB 0.339 32.051 31.700 0.019 0.000 0.961 346 P HA 0.068 nan 4.420 nan 0.000 0.272 346 P C 0.605 177.934 177.300 0.049 0.000 1.223 346 P CA 0.009 63.136 63.100 0.046 0.000 0.784 346 P CB 1.170 32.913 31.700 0.073 0.000 0.923 347 E N 0.996 121.219 120.200 0.037 0.000 2.112 347 E HA -0.009 4.341 4.350 -0.000 0.000 0.190 347 E C 0.072 176.710 176.600 0.063 0.000 0.979 347 E CA 0.523 56.944 56.400 0.035 0.000 0.814 347 E CB 0.090 29.797 29.700 0.013 0.000 0.762 347 E HN 0.405 nan 8.360 nan 0.000 0.460 348 L N 1.599 122.871 121.223 0.082 0.000 2.307 348 L HA 0.280 4.620 4.340 -0.000 0.000 0.284 348 L C 0.011 177.021 176.870 0.232 0.000 1.023 348 L CA -0.640 54.297 54.840 0.162 0.000 0.810 348 L CB 1.623 43.751 42.059 0.116 0.000 1.231 348 L HN 0.164 nan 8.230 nan 0.000 0.423 349 L N 4.211 125.590 121.223 0.260 0.000 3.713 349 L HA -0.184 4.156 4.340 -0.000 0.000 0.499 349 L C -1.365 175.617 176.870 0.186 0.000 1.281 349 L CA -0.508 54.475 54.840 0.238 0.000 0.796 349 L CB -0.902 41.316 42.059 0.265 0.000 1.535 349 L HN 0.604 nan 8.230 nan 0.000 0.851 350 P HA -0.145 nan 4.420 nan 0.000 0.223 350 P C 1.231 178.627 177.300 0.159 0.000 1.144 350 P CA 1.218 64.396 63.100 0.130 0.000 0.783 350 P CB 0.325 32.084 31.700 0.098 0.000 0.771 351 S N -0.764 115.049 115.700 0.188 0.000 2.548 351 S HA 0.069 4.539 4.470 -0.000 0.000 0.215 351 S C 0.865 175.620 174.600 0.258 0.000 0.976 351 S CA -0.444 57.910 58.200 0.257 0.000 0.908 351 S CB -0.619 62.721 63.200 0.233 0.000 0.781 351 S HN 0.075 nan 8.310 nan 0.000 0.519 352 L N 2.264 123.617 121.223 0.218 0.000 2.525 352 L HA 0.391 4.730 4.340 -0.000 0.000 0.278 352 L C 1.202 178.212 176.870 0.234 0.000 1.218 352 L CA 1.179 56.150 54.840 0.218 0.000 0.878 352 L CB -0.271 41.902 42.059 0.190 0.000 1.127 352 L HN 0.345 nan 8.230 nan 0.000 0.492 353 G N 2.452 111.401 108.800 0.248 0.000 2.175 353 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.265 353 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.265 353 G C 0.432 175.461 174.900 0.214 0.000 0.979 353 G CA 0.506 45.753 45.100 0.245 0.000 0.663 353 G HN 0.844 nan 8.290 nan 0.000 0.533 354 S N -1.663 114.169 115.700 0.220 0.000 2.739 354 S HA 0.641 5.111 4.470 -0.000 0.000 0.306 354 S C 0.396 175.165 174.600 0.282 0.000 1.115 354 S CA 0.008 58.295 58.200 0.145 0.000 0.985 354 S CB 0.835 64.044 63.200 0.015 0.000 1.133 354 S HN 0.894 nan 8.310 nan 0.000 0.541 355 Y N -0.765 119.607 120.300 0.120 0.000 3.825 355 Y HA -0.206 4.344 4.550 -0.000 0.000 0.221 355 Y C 0.548 176.531 175.900 0.139 0.000 1.195 355 Y CA 0.189 58.358 58.100 0.116 0.000 1.699 355 Y CB -2.139 36.383 38.460 0.104 0.000 1.531 355 Y HN 0.581 nan 8.280 nan 0.000 0.640 356 I N -0.089 120.634 120.570 0.255 0.000 2.634 356 I HA 0.464 4.634 4.170 -0.000 0.000 0.284 356 I C 0.629 176.900 176.117 0.256 0.000 1.124 356 I CA 0.423 61.864 61.300 0.235 0.000 1.417 356 I CB 1.299 39.431 38.000 0.220 0.000 1.396 356 I HN 0.217 nan 8.210 nan 0.000 0.571 357 T N 1.866 116.527 114.554 0.177 0.000 2.886 357 T HA 0.639 4.988 4.350 -0.000 0.000 0.292 357 T C -0.717 173.993 174.700 0.018 0.000 1.012 357 T CA -0.714 61.477 62.100 0.150 0.000 0.982 357 T CB 2.070 70.987 68.868 0.082 0.000 1.018 357 T HN 0.807 nan 8.240 nan 0.000 0.451 358 E N 1.469 121.660 120.200 -0.013 0.000 2.272 358 E HA 0.357 4.707 4.350 -0.000 0.000 0.269 358 E C -0.835 175.885 176.600 0.199 0.000 0.877 358 E CA -0.569 55.808 56.400 -0.039 0.000 0.755 358 E CB 1.924 31.413 29.700 -0.351 0.000 1.192 358 E HN 0.695 nan 8.360 nan 0.000 0.422 359 Q N 1.186 121.105 119.800 0.198 0.000 2.392 359 Q HA 0.319 4.659 4.340 -0.000 0.000 0.262 359 Q C -0.335 175.863 176.000 0.331 0.000 1.003 359 Q CA -0.008 55.961 55.803 0.277 0.000 0.888 359 Q CB 1.023 29.974 28.738 0.356 0.000 1.260 359 Q HN 0.438 nan 8.270 nan 0.000 0.435 360 S N 1.244 117.075 115.700 0.218 0.000 2.580 360 S HA 0.412 4.882 4.470 -0.000 0.000 0.274 360 S C -0.809 173.845 174.600 0.089 0.000 1.329 360 S CA -0.517 57.692 58.200 0.015 0.000 1.036 360 S CB 0.428 63.533 63.200 -0.158 0.000 0.919 360 S HN 0.381 nan 8.310 nan 0.000 0.515 361 L N 4.589 125.830 121.223 0.031 0.000 2.476 361 L HA 0.700 5.040 4.340 -0.000 0.000 0.269 361 L C -0.856 175.894 176.870 -0.200 0.000 0.965 361 L CA -0.638 54.119 54.840 -0.138 0.000 0.845 361 L CB 1.543 43.488 42.059 -0.191 0.000 1.259 361 L HN 0.444 nan 8.230 nan 0.000 0.403 362 V N 2.009 121.726 119.914 -0.328 0.000 2.769 362 V HA 0.788 4.908 4.120 -0.000 0.000 0.312 362 V C -1.037 174.924 176.094 -0.221 0.000 1.058 362 V CA -0.635 61.383 62.300 -0.471 0.000 0.952 362 V CB 1.749 33.116 31.823 -0.760 0.000 1.019 362 V HN 0.835 nan 8.190 nan 0.000 0.445 363 F N 4.196 123.926 119.950 -0.367 0.000 2.619 363 F HA 0.864 5.391 4.527 -0.000 0.000 0.308 363 F C -0.435 175.219 175.800 -0.244 0.000 1.097 363 F CA -0.167 57.694 58.000 -0.232 0.000 0.953 363 F CB 1.472 40.373 39.000 -0.164 0.000 1.287 363 F HN 1.245 nan 8.300 nan 0.000 0.446 364 C N 2.657 121.222 119.300 -1.224 0.000 3.295 364 C HA 0.779 5.239 4.460 -0.000 0.000 0.341 364 C C -1.871 172.534 174.990 -0.976 0.000 1.418 364 C CA -0.720 57.591 59.018 -1.179 0.000 1.240 364 C CB 1.691 29.018 27.740 -0.690 0.000 1.562 364 C HN 0.958 nan 8.230 nan 0.000 0.457 365 Q N 0.709 120.201 119.800 -0.514 0.000 2.377 365 Q HA 0.740 5.080 4.340 -0.000 0.000 0.271 365 Q C -0.537 175.500 176.000 0.062 0.000 1.077 365 Q CA -0.199 55.531 55.803 -0.122 0.000 0.820 365 Q CB 2.686 31.343 28.738 -0.135 0.000 1.347 365 Q HN 0.940 nan 8.270 nan 0.000 0.444 366 T N -2.427 112.237 114.554 0.183 0.000 2.932 366 T HA 0.693 5.043 4.350 -0.000 0.000 0.289 366 T C -0.475 174.288 174.700 0.105 0.000 1.039 366 T CA -0.709 61.472 62.100 0.136 0.000 1.024 366 T CB 1.285 70.254 68.868 0.169 0.000 1.090 366 T HN 0.258 nan 8.240 nan 0.000 0.496 367 V N 2.919 122.862 119.914 0.048 0.000 2.384 367 V HA 0.394 4.514 4.120 -0.000 0.000 0.287 367 V C 0.355 176.461 176.094 0.021 0.000 1.020 367 V CA -0.926 61.393 62.300 0.030 0.000 0.850 367 V CB 1.122 32.954 31.823 0.015 0.000 0.987 367 V HN 1.037 nan 8.190 nan 0.000 0.436 368 M N 4.763 124.382 119.600 0.031 0.000 2.248 368 M HA 0.063 4.542 4.480 -0.000 0.000 0.343 368 M C 0.897 177.204 176.300 0.011 0.000 1.243 368 M CA 0.740 56.060 55.300 0.033 0.000 1.025 368 M CB 0.585 33.202 32.600 0.028 0.000 1.759 368 M HN 0.933 nan 8.290 nan 0.000 0.452 369 S N 2.624 118.328 115.700 0.007 0.000 2.560 369 S HA 0.046 4.515 4.470 -0.000 0.000 0.284 369 S C 1.008 175.609 174.600 0.002 0.000 1.327 369 S CA -0.067 58.128 58.200 -0.008 0.000 1.055 369 S CB 0.534 63.724 63.200 -0.016 0.000 0.868 369 S HN 0.818 nan 8.310 nan 0.000 0.506 370 T N 2.041 116.592 114.554 -0.004 0.000 2.665 370 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 370 T C 1.613 176.319 174.700 0.010 0.000 1.035 370 T CA 1.848 63.950 62.100 0.003 0.000 1.151 370 T CB -0.599 68.268 68.868 -0.003 0.000 0.862 370 T HN 0.834 nan 8.240 nan 0.000 0.438 371 E N 0.350 120.552 120.200 0.004 0.000 2.065 371 E HA -0.165 4.184 4.350 -0.000 0.000 0.201 371 E C 2.182 178.798 176.600 0.026 0.000 1.016 371 E CA 1.233 57.638 56.400 0.008 0.000 0.818 371 E CB -0.217 29.481 29.700 -0.003 0.000 0.749 371 E HN 0.439 nan 8.360 nan 0.000 0.453 372 L N 0.433 121.675 121.223 0.030 0.000 2.072 372 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 372 L C 2.434 179.343 176.870 0.066 0.000 1.079 372 L CA 0.246 55.118 54.840 0.054 0.000 0.752 372 L CB -0.207 41.884 42.059 0.053 0.000 0.906 372 L HN 0.244 nan 8.230 nan 0.000 0.436 373 I N 0.075 120.671 120.570 0.044 0.000 2.286 373 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 373 I C 2.103 178.252 176.117 0.053 0.000 1.115 373 I CA 1.458 62.782 61.300 0.039 0.000 1.392 373 I CB -1.116 36.897 38.000 0.022 0.000 1.065 373 I HN 0.273 nan 8.210 nan 0.000 0.418 374 D N 0.594 121.025 120.400 0.050 0.000 2.144 374 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 374 D C 2.371 178.720 176.300 0.081 0.000 0.978 374 D CA 1.622 55.655 54.000 0.055 0.000 0.833 374 D CB -0.217 40.605 40.800 0.038 0.000 0.961 374 D HN 0.369 nan 8.370 nan 0.000 0.470 375 S N 0.340 116.097 115.700 0.095 0.000 2.402 375 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 375 S C 2.197 176.956 174.600 0.265 0.000 1.030 375 S CA 1.150 59.439 58.200 0.148 0.000 1.003 375 S CB -0.770 62.511 63.200 0.134 0.000 0.813 375 S HN 0.112 nan 8.310 nan 0.000 0.477 376 V N 3.085 123.132 119.914 0.220 0.000 2.332 376 V HA -0.180 3.939 4.120 -0.000 0.000 0.248 376 V C 2.169 178.402 176.094 0.230 0.000 1.055 376 V CA 2.187 64.641 62.300 0.257 0.000 1.038 376 V CB -0.856 31.035 31.823 0.112 0.000 0.651 376 V HN 0.812 nan 8.190 nan 0.000 0.450 377 K N 0.602 121.095 120.400 0.154 0.000 2.570 377 K HA 0.193 4.512 4.320 -0.000 0.000 0.210 377 K C 1.602 178.266 176.600 0.106 0.000 1.048 377 K CA 0.669 57.027 56.287 0.119 0.000 1.167 377 K CB 0.170 32.722 32.500 0.087 0.000 0.892 377 K HN 0.446 nan 8.250 nan 0.000 0.480 378 S N 0.957 116.740 115.700 0.138 0.000 2.382 378 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 378 S C 1.066 175.688 174.600 0.037 0.000 1.027 378 S CA 1.123 59.366 58.200 0.072 0.000 0.991 378 S CB -0.236 62.985 63.200 0.035 0.000 0.823 378 S HN 0.295 nan 8.310 nan 0.000 0.469 379 D N 1.146 121.578 120.400 0.053 0.000 2.336 379 D HA 0.201 4.841 4.640 -0.000 0.000 0.229 379 D C 0.002 176.340 176.300 0.063 0.000 1.061 379 D CA 0.328 54.344 54.000 0.027 0.000 0.875 379 D CB -0.055 40.745 40.800 -0.001 0.000 0.904 379 D HN 0.377 nan 8.370 nan 0.000 0.525 380 M N 0.508 120.144 119.600 0.061 0.000 2.264 380 M HA 0.225 4.704 4.480 -0.000 0.000 0.352 380 M C 0.139 176.462 176.300 0.038 0.000 1.173 380 M CA -0.228 55.113 55.300 0.067 0.000 1.075 380 M CB 1.289 33.923 32.600 0.057 0.000 1.621 380 M HN -0.326 nan 8.290 nan 0.000 0.457 381 T N 4.470 119.040 114.554 0.027 0.000 2.744 381 T HA 0.657 5.006 4.350 -0.000 0.000 0.291 381 T C 0.236 174.908 174.700 -0.048 0.000 0.957 381 T CA -0.316 61.780 62.100 -0.007 0.000 1.002 381 T CB 0.541 69.402 68.868 -0.012 0.000 0.919 381 T HN 0.466 nan 8.240 nan 0.000 0.468 382 I N 3.945 124.485 120.570 -0.051 0.000 2.502 382 I HA 0.304 4.474 4.170 -0.000 0.000 0.276 382 I C 0.393 176.466 176.117 -0.072 0.000 1.057 382 I CA -0.600 60.639 61.300 -0.101 0.000 1.163 382 I CB 0.675 38.655 38.000 -0.032 0.000 1.288 382 I HN 0.337 nan 8.210 nan 0.000 0.479 383 R N 3.816 124.250 120.500 -0.110 0.000 2.457 383 R HA 0.772 5.112 4.340 -0.000 0.000 0.284 383 R C 0.505 176.790 176.300 -0.025 0.000 1.024 383 R CA -0.358 55.711 56.100 -0.052 0.000 1.025 383 R CB 1.374 31.646 30.300 -0.047 0.000 1.063 383 R HN 0.733 nan 8.270 nan 0.000 0.493 384 G N 0.655 109.489 108.800 0.057 0.000 2.784 384 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.369 384 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.369 384 G C -0.547 174.507 174.900 0.256 0.000 1.362 384 G CA -0.360 44.820 45.100 0.134 0.000 0.858 384 G HN 0.745 nan 8.290 nan 0.000 0.537 385 T N -0.678 114.010 114.554 0.224 0.000 2.797 385 T HA 0.697 5.047 4.350 -0.000 0.000 0.279 385 T C -2.380 172.297 174.700 -0.039 0.000 0.991 385 T CA -1.445 60.731 62.100 0.126 0.000 0.979 385 T CB 2.143 71.036 68.868 0.042 0.000 0.943 385 T HN 0.508 nan 8.240 nan 0.000 0.444 386 P HA 0.227 nan 4.420 nan 0.000 0.264 386 P C 1.278 178.317 177.300 -0.434 0.000 1.179 386 P CA 1.603 64.132 63.100 -0.953 0.000 0.763 386 P CB 0.158 31.483 31.700 -0.624 0.000 0.806 387 G N 1.860 110.425 108.800 -0.391 0.000 3.079 387 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.214 387 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.214 387 G C 0.375 175.228 174.900 -0.077 0.000 1.335 387 G CA 0.007 45.007 45.100 -0.167 0.000 0.822 387 G HN 0.570 nan 8.290 nan 0.000 0.545 388 E N 0.079 120.249 120.200 -0.051 0.000 2.405 388 E HA 0.567 4.917 4.350 -0.000 0.000 0.253 388 E C 1.749 178.377 176.600 0.048 0.000 1.257 388 E CA -0.475 55.927 56.400 0.004 0.000 0.960 388 E CB 0.484 30.187 29.700 0.006 0.000 1.077 388 E HN 0.145 nan 8.360 nan 0.000 0.512 389 L N 0.330 121.576 121.223 0.039 0.000 1.997 389 L HA -0.264 4.076 4.340 -0.000 0.000 0.227 389 L C 1.658 178.560 176.870 0.054 0.000 1.087 389 L CA 2.470 57.333 54.840 0.038 0.000 0.797 389 L CB -0.793 41.282 42.059 0.027 0.000 0.902 389 L HN 0.759 nan 8.230 nan 0.000 0.441 390 T N -5.438 109.156 114.554 0.066 0.000 3.584 390 T HA 0.172 4.522 4.350 -0.000 0.000 0.259 390 T C -0.189 174.566 174.700 0.091 0.000 1.009 390 T CA -0.550 61.589 62.100 0.065 0.000 1.103 390 T CB -0.824 68.061 68.868 0.030 0.000 1.099 390 T HN 0.052 nan 8.240 nan 0.000 0.539 391 Y N 2.321 122.619 120.300 -0.003 0.000 2.944 391 Y HA 0.283 4.832 4.550 -0.000 0.000 0.340 391 Y C 0.269 176.167 175.900 -0.002 0.000 1.275 391 Y CA 0.616 58.714 58.100 -0.002 0.000 1.590 391 Y CB 0.123 38.580 38.460 -0.006 0.000 1.218 391 Y HN 0.472 nan 8.280 nan 0.000 0.576 392 S N 4.548 120.003 115.700 -0.408 0.000 2.548 392 S HA 0.813 5.283 4.470 -0.000 0.000 0.286 392 S C -1.773 172.538 174.600 -0.482 0.000 1.098 392 S CA -0.705 57.289 58.200 -0.343 0.000 0.930 392 S CB 1.127 64.232 63.200 -0.158 0.000 1.070 392 S HN 0.513 nan 8.310 nan 0.000 0.480 393 V N 3.776 123.505 119.914 -0.308 0.000 2.524 393 V HA 0.664 4.783 4.120 -0.000 0.000 0.297 393 V C -0.494 175.572 176.094 -0.047 0.000 1.035 393 V CA -0.637 61.550 62.300 -0.189 0.000 0.867 393 V CB 1.445 33.183 31.823 -0.143 0.000 1.004 393 V HN 1.011 nan 8.190 nan 0.000 0.426 394 T N 1.892 116.445 114.554 -0.002 0.000 2.896 394 T HA 0.867 5.217 4.350 -0.000 0.000 0.297 394 T C -1.038 173.746 174.700 0.139 0.000 1.108 394 T CA -0.819 61.304 62.100 0.038 0.000 1.004 394 T CB 2.314 71.159 68.868 -0.039 0.000 1.159 394 T HN 0.832 nan 8.240 nan 0.000 0.499 395 Y N -1.695 118.595 120.300 -0.016 0.000 2.644 395 Y HA 0.788 5.337 4.550 -0.000 0.000 0.338 395 Y C -0.938 174.955 175.900 -0.012 0.000 1.119 395 Y CA -1.327 56.766 58.100 -0.012 0.000 1.060 395 Y CB 0.841 39.302 38.460 0.001 0.000 1.294 395 Y HN 0.603 nan 8.280 nan 0.000 0.472 396 T N 4.257 118.802 114.554 -0.016 0.000 2.781 396 T HA 0.407 4.757 4.350 -0.000 0.000 0.305 396 T C -2.710 171.983 174.700 -0.011 0.000 1.001 396 T CA -1.309 60.734 62.100 -0.095 0.000 0.950 396 T CB 0.679 69.532 68.868 -0.024 0.000 0.955 396 T HN 0.388 nan 8.240 nan 0.000 0.471 397 P HA 0.195 nan 4.420 nan 0.000 0.270 397 P C 1.328 178.660 177.300 0.053 0.000 1.227 397 P CA 0.657 63.796 63.100 0.065 0.000 0.788 397 P CB 0.257 31.960 31.700 0.004 0.000 0.926 398 G N 0.118 108.962 108.800 0.073 0.000 2.451 398 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.253 398 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.253 398 G C 0.569 175.481 174.900 0.020 0.000 1.033 398 G CA 0.387 45.510 45.100 0.038 0.000 0.633 398 G HN 0.902 nan 8.290 nan 0.000 0.537 399 A N 0.499 123.331 122.820 0.020 0.000 2.565 399 A HA 0.501 4.821 4.320 -0.000 0.000 0.237 399 A C 1.444 179.021 177.584 -0.012 0.000 1.053 399 A CA 1.486 53.525 52.037 0.003 0.000 0.755 399 A CB 0.158 19.162 19.000 0.006 0.000 0.980 399 A HN 1.647 nan 8.150 nan 0.000 0.506 400 S N 0.972 116.659 115.700 -0.022 0.000 2.572 400 S HA 0.053 4.523 4.470 -0.000 0.000 0.228 400 S C 0.998 175.568 174.600 -0.050 0.000 0.963 400 S CA 0.382 58.560 58.200 -0.036 0.000 0.939 400 S CB -0.143 63.041 63.200 -0.027 0.000 0.804 400 S HN 0.807 nan 8.310 nan 0.000 0.480 401 T N 0.922 115.448 114.554 -0.047 0.000 3.055 401 T HA 0.092 4.441 4.350 -0.000 0.000 0.265 401 T C 0.480 175.126 174.700 -0.090 0.000 1.111 401 T CA -0.057 62.007 62.100 -0.061 0.000 1.118 401 T CB -0.416 68.426 68.868 -0.044 0.000 0.909 401 T HN 0.280 nan 8.240 nan 0.000 0.501 402 N N 2.509 121.158 118.700 -0.085 0.000 2.440 402 N HA 0.092 4.832 4.740 -0.000 0.000 0.265 402 N C 1.041 176.415 175.510 -0.226 0.000 1.239 402 N CA -0.044 52.932 53.050 -0.124 0.000 0.909 402 N CB 0.795 39.236 38.487 -0.077 0.000 1.066 402 N HN 0.199 nan 8.380 nan 0.000 0.474 403 K N 1.484 121.666 120.400 -0.364 0.000 2.366 403 K HA -0.003 4.317 4.320 -0.000 0.000 0.198 403 K C -0.003 176.087 176.600 -0.850 0.000 1.044 403 K CA 0.871 56.797 56.287 -0.601 0.000 0.973 403 K CB 0.096 32.127 32.500 -0.783 0.000 0.767 403 K HN 0.562 nan 8.250 nan 0.000 0.475 404 H N -0.032 118.739 119.070 -0.499 0.000 2.747 404 H HA 0.316 4.872 4.556 -0.000 0.000 0.371 404 H C -2.375 172.630 175.328 -0.538 0.000 1.161 404 H CA -2.488 53.099 56.048 -0.769 0.000 1.167 404 H CB 1.766 30.715 29.762 -1.355 0.000 1.732 404 H HN -0.139 nan 8.280 nan 0.000 0.544 405 P HA 0.049 nan 4.420 nan 0.000 0.274 405 P C 0.062 177.115 177.300 -0.412 0.000 1.246 405 P CA -0.227 62.663 63.100 -0.351 0.000 0.795 405 P CB 1.414 32.894 31.700 -0.368 0.000 1.006 406 D N -0.255 120.040 120.400 -0.176 0.000 2.289 406 D HA -0.052 4.588 4.640 -0.000 0.000 0.207 406 D C 1.864 178.167 176.300 0.006 0.000 0.966 406 D CA 0.780 54.753 54.000 -0.045 0.000 0.868 406 D CB -0.434 40.467 40.800 0.170 0.000 0.943 406 D HN 0.589 nan 8.370 nan 0.000 0.514 407 W N 0.271 121.646 121.300 0.125 0.000 2.363 407 W HA -0.146 4.513 4.660 -0.000 0.000 0.296 407 W C 1.809 178.399 176.519 0.117 0.000 1.212 407 W CA 0.110 57.521 57.345 0.111 0.000 1.260 407 W CB -1.302 28.217 29.460 0.098 0.000 1.131 407 W HN 0.033 nan 8.180 nan 0.000 0.530 408 W N 3.386 124.184 121.300 -0.837 0.000 2.380 408 W HA -0.165 4.495 4.660 -0.000 0.000 0.317 408 W C 1.947 178.185 176.519 -0.468 0.000 1.196 408 W CA 1.736 58.605 57.345 -0.794 0.000 1.307 408 W CB -1.058 27.699 29.460 -1.173 0.000 1.157 408 W HN -0.125 nan 8.180 nan 0.000 0.483 409 N N 0.983 119.605 118.700 -0.130 0.000 2.223 409 N HA -0.208 4.532 4.740 -0.000 0.000 0.185 409 N C 1.509 176.729 175.510 -0.484 0.000 1.016 409 N CA 1.945 54.729 53.050 -0.444 0.000 0.863 409 N CB -0.582 37.281 38.487 -1.041 0.000 0.983 409 N HN 0.277 nan 8.380 nan 0.000 0.429 410 E N 1.444 121.500 120.200 -0.240 0.000 2.072 410 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 410 E C 1.568 178.209 176.600 0.067 0.000 0.985 410 E CA 1.294 57.736 56.400 0.070 0.000 0.801 410 E CB 0.069 29.887 29.700 0.197 0.000 0.750 410 E HN 0.265 nan 8.360 nan 0.000 0.452 411 K N -0.388 120.036 120.400 0.040 0.000 2.097 411 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 411 K C 2.126 178.728 176.600 0.003 0.000 1.049 411 K CA 1.348 57.653 56.287 0.031 0.000 0.933 411 K CB -0.093 32.410 32.500 0.004 0.000 0.717 411 K HN 0.034 nan 8.250 nan 0.000 0.442 412 V N 2.067 121.947 119.914 -0.057 0.000 2.323 412 V HA -0.227 3.893 4.120 -0.000 0.000 0.244 412 V C 2.428 178.556 176.094 0.057 0.000 1.041 412 V CA 1.545 63.827 62.300 -0.031 0.000 1.025 412 V CB -0.375 31.417 31.823 -0.052 0.000 0.656 412 V HN 0.335 nan 8.190 nan 0.000 0.451 413 K N 0.440 120.868 120.400 0.047 0.000 2.009 413 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 413 K C 2.013 178.670 176.600 0.094 0.000 1.049 413 K CA 2.156 58.501 56.287 0.096 0.000 0.929 413 K CB -0.323 32.289 32.500 0.187 0.000 0.714 413 K HN 0.416 nan 8.250 nan 0.000 0.440 414 N N 0.542 119.303 118.700 0.103 0.000 2.069 414 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 414 N C 1.810 177.375 175.510 0.092 0.000 1.031 414 N CA 1.594 54.699 53.050 0.091 0.000 0.852 414 N CB -0.856 37.691 38.487 0.101 0.000 1.018 414 N HN 0.437 nan 8.380 nan 0.000 0.423 415 H N 0.579 119.676 119.070 0.046 0.000 2.290 415 H HA 0.043 4.599 4.556 -0.000 0.000 0.298 415 H C 2.043 177.413 175.328 0.070 0.000 1.087 415 H CA 1.952 58.035 56.048 0.058 0.000 1.291 415 H CB -0.204 29.512 29.762 -0.075 0.000 1.369 415 H HN 0.131 nan 8.280 nan 0.000 0.492 416 M N -0.947 118.631 119.600 -0.036 0.000 2.296 416 M HA -0.124 4.356 4.480 -0.000 0.000 0.265 416 M C 1.901 178.241 176.300 0.066 0.000 1.064 416 M CA 0.994 56.286 55.300 -0.013 0.000 1.109 416 M CB 0.117 32.790 32.600 0.121 0.000 1.396 416 M HN 0.361 nan 8.290 nan 0.000 0.430 417 M N -0.600 119.027 119.600 0.045 0.000 2.334 417 M HA -0.086 4.394 4.480 -0.000 0.000 0.266 417 M C 1.802 178.086 176.300 -0.027 0.000 1.082 417 M CA 1.546 56.887 55.300 0.068 0.000 1.141 417 M CB -0.494 32.129 32.600 0.039 0.000 1.380 417 M HN 0.324 nan 8.290 nan 0.000 0.440 418 Q N -1.026 118.687 119.800 -0.145 0.000 2.376 418 Q HA -0.008 4.331 4.340 -0.000 0.000 0.206 418 Q C 0.005 175.642 176.000 -0.606 0.000 0.921 418 Q CA 0.639 56.239 55.803 -0.337 0.000 0.911 418 Q CB 0.516 29.011 28.738 -0.406 0.000 1.032 418 Q HN 0.546 nan 8.270 nan 0.000 0.510 419 H N 0.659 119.622 119.070 -0.177 0.000 2.340 419 H HA 0.218 4.774 4.556 -0.000 0.000 0.233 419 H C 0.297 175.513 175.328 -0.186 0.000 1.435 419 H CA -0.104 55.841 56.048 -0.172 0.000 1.389 419 H CB 0.550 30.161 29.762 -0.252 0.000 1.491 419 H HN 0.240 nan 8.280 nan 0.000 0.518 420 Q N 0.771 120.525 119.800 -0.077 0.000 2.291 420 Q HA -0.118 4.221 4.340 -0.000 0.000 0.205 420 Q C 1.830 177.748 176.000 -0.136 0.000 0.970 420 Q CA 0.981 56.697 55.803 -0.145 0.000 0.876 420 Q CB 0.410 29.031 28.738 -0.196 0.000 0.935 420 Q HN 0.530 nan 8.270 nan 0.000 0.455 421 E N 1.064 121.238 120.200 -0.043 0.000 2.481 421 E HA -0.082 4.267 4.350 -0.000 0.000 0.195 421 E C -0.479 176.140 176.600 0.032 0.000 1.047 421 E CA 0.387 56.780 56.400 -0.012 0.000 0.867 421 E CB 0.039 29.755 29.700 0.027 0.000 0.858 421 E HN 0.137 nan 8.360 nan 0.000 0.513 422 D N 2.013 122.443 120.400 0.050 0.000 2.249 422 D HA 0.139 4.779 4.640 -0.000 0.000 0.246 422 D C -1.612 174.724 176.300 0.060 0.000 1.114 422 D CA -2.133 51.926 54.000 0.099 0.000 0.854 422 D CB 1.592 42.477 40.800 0.142 0.000 1.132 422 D HN -0.156 nan 8.370 nan 0.000 0.461 423 P HA 0.105 nan 4.420 nan 0.000 0.249 423 P C -0.326 177.008 177.300 0.057 0.000 1.229 423 P CA 0.188 63.316 63.100 0.047 0.000 0.788 423 P CB 0.288 32.011 31.700 0.038 0.000 1.072 424 L N 1.572 122.839 121.223 0.075 0.000 2.334 424 L HA 0.401 4.741 4.340 -0.000 0.000 0.273 424 L C -1.441 175.468 176.870 0.065 0.000 1.013 424 L CA -2.268 52.597 54.840 0.041 0.000 0.816 424 L CB 2.537 44.592 42.059 -0.007 0.000 1.278 424 L HN -0.321 nan 8.230 nan 0.000 0.431 425 P HA 0.094 nan 4.420 nan 0.000 0.255 425 P C 0.213 177.426 177.300 -0.145 0.000 1.248 425 P CA 0.508 63.633 63.100 0.042 0.000 0.807 425 P CB 0.433 32.149 31.700 0.027 0.000 1.150 426 I N 2.426 122.809 120.570 -0.311 0.000 2.352 426 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 426 I C -2.125 173.517 176.117 -0.792 0.000 1.036 426 I CA -2.725 58.318 61.300 -0.429 0.000 1.336 426 I CB 0.742 38.573 38.000 -0.282 0.000 1.407 426 I HN -0.246 nan 8.210 nan 0.000 0.497 427 P HA -0.026 nan 4.420 nan 0.000 0.266 427 P C 0.327 177.376 177.300 -0.418 0.000 1.195 427 P CA 0.083 62.797 63.100 -0.642 0.000 0.768 427 P CB 0.317 31.883 31.700 -0.222 0.000 0.838 428 F N 0.987 120.775 119.950 -0.270 0.000 2.202 428 F HA -0.134 4.392 4.527 -0.000 0.000 0.301 428 F C 1.663 177.408 175.800 -0.092 0.000 1.082 428 F CA 1.575 59.480 58.000 -0.157 0.000 1.313 428 F CB -0.882 38.047 39.000 -0.119 0.000 1.024 428 F HN 0.414 nan 8.300 nan 0.000 0.495 429 E N -0.490 119.780 120.200 0.117 0.000 2.437 429 E HA 0.010 4.359 4.350 -0.000 0.000 0.195 429 E C -0.262 176.355 176.600 0.028 0.000 1.029 429 E CA -0.261 56.181 56.400 0.070 0.000 0.948 429 E CB -0.174 29.569 29.700 0.071 0.000 1.082 429 E HN 0.149 nan 8.360 nan 0.000 0.456 430 D N 2.421 122.816 120.400 -0.008 0.000 2.450 430 D HA 0.021 4.661 4.640 -0.000 0.000 0.247 430 D C -2.234 174.084 176.300 0.029 0.000 1.162 430 D CA -1.651 52.335 54.000 -0.023 0.000 0.879 430 D CB 0.775 41.523 40.800 -0.088 0.000 1.163 430 D HN -0.107 nan 8.370 nan 0.000 0.472 431 P HA 0.058 nan 4.420 nan 0.000 0.271 431 P C -0.302 177.104 177.300 0.178 0.000 1.233 431 P CA -0.343 62.855 63.100 0.164 0.000 0.789 431 P CB 0.343 32.170 31.700 0.212 0.000 0.951 432 E N 2.050 122.361 120.200 0.185 0.000 2.408 432 E HA 0.157 4.507 4.350 -0.000 0.000 0.259 432 E C -2.436 174.187 176.600 0.037 0.000 1.110 432 E CA -1.862 54.580 56.400 0.069 0.000 0.929 432 E CB -0.992 28.712 29.700 0.006 0.000 0.971 432 E HN 0.240 nan 8.360 nan 0.000 0.438 433 P HA 0.072 nan 4.420 nan 0.000 0.271 433 P C -0.524 176.778 177.300 0.004 0.000 1.218 433 P CA 0.034 63.199 63.100 0.107 0.000 0.780 433 P CB 0.434 32.148 31.700 0.023 0.000 0.901 434 Q N 1.230 121.119 119.800 0.148 0.000 3.484 434 Q HA 0.318 4.658 4.340 -0.000 0.000 0.255 434 Q C -1.067 175.007 176.000 0.123 0.000 0.909 434 Q CA -0.338 55.437 55.803 -0.047 0.000 0.774 434 Q CB 1.302 29.789 28.738 -0.419 0.000 1.431 434 Q HN 0.192 nan 8.270 nan 0.000 0.423 435 V N 0.561 120.508 119.914 0.056 0.000 2.667 435 V HA 0.744 4.864 4.120 -0.000 0.000 0.308 435 V C 0.120 176.220 176.094 0.010 0.000 1.048 435 V CA -0.442 61.894 62.300 0.060 0.000 0.928 435 V CB 2.120 33.931 31.823 -0.019 0.000 1.004 435 V HN 0.462 nan 8.190 nan 0.000 0.444 436 T N 1.661 116.251 114.554 0.061 0.000 2.916 436 T HA 0.491 4.841 4.350 -0.000 0.000 0.305 436 T C -0.956 173.684 174.700 -0.101 0.000 1.119 436 T CA -0.309 61.771 62.100 -0.034 0.000 1.008 436 T CB 1.847 70.686 68.868 -0.048 0.000 1.129 436 T HN 0.827 nan 8.240 nan 0.000 0.480 437 T N 4.543 118.893 114.554 -0.339 0.000 2.770 437 T HA 0.623 4.972 4.350 -0.000 0.000 0.283 437 T C -0.120 174.444 174.700 -0.226 0.000 0.988 437 T CA -0.600 61.163 62.100 -0.563 0.000 0.957 437 T CB -0.052 68.070 68.868 -1.243 0.000 0.930 437 T HN 0.509 nan 8.240 nan 0.000 0.443 438 L N 4.296 125.458 121.223 -0.101 0.000 2.464 438 L HA 0.415 4.755 4.340 -0.000 0.000 0.264 438 L C 0.715 177.592 176.870 0.011 0.000 1.199 438 L CA -0.952 53.907 54.840 0.031 0.000 0.818 438 L CB 0.230 42.308 42.059 0.031 0.000 1.102 438 L HN 0.622 nan 8.230 nan 0.000 0.473 439 F N 2.572 122.451 119.950 -0.118 0.000 2.604 439 F HA -0.082 4.445 4.527 -0.000 0.000 0.390 439 F C 0.273 175.818 175.800 -0.426 0.000 1.053 439 F CA 0.659 58.491 58.000 -0.280 0.000 1.256 439 F CB 0.112 39.006 39.000 -0.177 0.000 0.996 439 F HN 0.385 nan 8.300 nan 0.000 0.564 440 Q N 6.632 125.941 119.800 -0.819 0.000 2.501 440 Q HA 0.267 4.607 4.340 -0.000 0.000 0.288 440 Q C -1.995 173.568 176.000 -0.729 0.000 1.051 440 Q CA -1.759 53.662 55.803 -0.637 0.000 0.788 440 Q CB 1.400 29.675 28.738 -0.771 0.000 1.469 440 Q HN 0.221 nan 8.270 nan 0.000 0.416 441 P HA -0.165 nan 4.420 nan 0.000 0.218 441 P C 1.121 178.218 177.300 -0.339 0.000 1.148 441 P CA 1.786 64.719 63.100 -0.280 0.000 0.822 441 P CB 0.244 31.872 31.700 -0.118 0.000 0.784 442 S N -1.292 114.214 115.700 -0.323 0.000 2.562 442 S HA -0.074 4.396 4.470 -0.000 0.000 0.221 442 S C 0.491 174.913 174.600 -0.296 0.000 0.975 442 S CA -0.103 57.976 58.200 -0.202 0.000 0.918 442 S CB -1.241 61.935 63.200 -0.040 0.000 0.772 442 S HN 0.422 nan 8.310 nan 0.000 0.531 443 H N -1.111 117.517 119.070 -0.735 0.000 2.596 443 H HA 0.470 5.026 4.556 -0.000 0.000 0.240 443 H C -3.216 170.967 175.328 -1.908 0.000 1.406 443 H CA -1.708 53.492 56.048 -1.412 0.000 1.504 443 H CB 0.498 29.685 29.762 -0.958 0.000 1.688 443 H HN 0.069 nan 8.280 nan 0.000 0.546 444 P HA 0.088 nan 4.420 nan 0.000 0.225 444 P C -1.266 175.411 177.300 -1.038 0.000 1.813 444 P CA 0.177 62.155 63.100 -1.870 0.000 1.013 444 P CB -1.018 30.124 31.700 -0.931 0.000 1.961 445 W N 0.029 120.980 121.300 -0.582 0.000 3.167 445 W HA 0.519 5.179 4.660 -0.000 0.000 0.324 445 W C -0.925 175.684 176.519 0.149 0.000 1.230 445 W CA -1.283 56.070 57.345 0.012 0.000 1.184 445 W CB 0.096 29.602 29.460 0.077 0.000 1.414 445 W HN 0.020 nan 8.180 nan 0.000 0.551 446 H N 1.168 120.506 119.070 0.446 0.000 2.511 446 H HA 0.677 5.233 4.556 -0.000 0.000 0.346 446 H C -0.171 175.299 175.328 0.236 0.000 1.128 446 H CA 0.435 56.644 56.048 0.267 0.000 1.342 446 H CB 1.450 31.324 29.762 0.187 0.000 1.470 446 H HN 0.561 nan 8.280 nan 0.000 0.546 447 T N 2.211 116.418 114.554 -0.578 0.000 2.861 447 T HA 0.478 4.828 4.350 -0.000 0.000 0.287 447 T C -0.732 173.650 174.700 -0.530 0.000 1.003 447 T CA -1.115 60.644 62.100 -0.569 0.000 0.977 447 T CB 1.504 69.931 68.868 -0.734 0.000 0.996 447 T HN 0.668 nan 8.240 nan 0.000 0.448 448 Q N 2.139 121.828 119.800 -0.185 0.000 2.310 448 Q HA 0.578 4.918 4.340 -0.000 0.000 0.270 448 Q C -1.149 174.755 176.000 -0.161 0.000 1.025 448 Q CA -0.629 55.002 55.803 -0.288 0.000 0.772 448 Q CB 2.481 30.943 28.738 -0.461 0.000 1.253 448 Q HN 0.709 nan 8.270 nan 0.000 0.450 449 I N 3.849 124.281 120.570 -0.229 0.000 2.464 449 I HA 0.365 4.535 4.170 -0.000 0.000 0.277 449 I C -0.317 175.700 176.117 -0.167 0.000 1.040 449 I CA -0.179 60.885 61.300 -0.394 0.000 1.153 449 I CB 0.382 38.029 38.000 -0.587 0.000 1.274 449 I HN 0.769 nan 8.210 nan 0.000 0.469 450 H N 4.010 122.901 119.070 -0.298 0.000 3.075 450 H HA 0.639 5.195 4.556 -0.000 0.000 0.263 450 H C -1.268 173.987 175.328 -0.122 0.000 1.549 450 H CA -1.313 54.626 56.048 -0.182 0.000 1.192 450 H CB 1.279 30.956 29.762 -0.142 0.000 1.898 450 H HN 0.117 nan 8.280 nan 0.000 0.696 451 R N 0.889 121.141 120.500 -0.413 0.000 2.686 451 R HA 0.322 4.662 4.340 -0.000 0.000 0.283 451 R C -1.461 174.512 176.300 -0.544 0.000 0.978 451 R CA -0.473 55.385 56.100 -0.404 0.000 0.897 451 R CB 1.927 32.145 30.300 -0.136 0.000 1.192 451 R HN 0.936 nan 8.270 nan 0.000 0.457 452 D N 0.080 120.238 120.400 -0.404 0.000 2.837 452 D HA 0.426 5.066 4.640 -0.000 0.000 0.294 452 D C -0.711 175.570 176.300 -0.031 0.000 1.158 452 D CA -0.791 53.076 54.000 -0.221 0.000 1.073 452 D CB 0.064 40.747 40.800 -0.195 0.000 1.419 452 D HN 0.421 nan 8.370 nan 0.000 0.584 453 A N -0.462 122.370 122.820 0.019 0.000 2.566 453 A HA 0.402 4.722 4.320 -0.000 0.000 0.245 453 A C -0.756 176.896 177.584 0.115 0.000 1.056 453 A CA 0.321 52.414 52.037 0.094 0.000 0.757 453 A CB -1.024 18.058 19.000 0.136 0.000 0.979 453 A HN 0.510 nan 8.150 nan 0.000 0.508 454 F N 1.927 121.815 119.950 -0.103 0.000 2.650 454 F HA 0.464 4.991 4.527 -0.000 0.000 0.310 454 F C 0.021 175.630 175.800 -0.318 0.000 1.112 454 F CA -0.214 57.622 58.000 -0.272 0.000 0.986 454 F CB 1.820 40.573 39.000 -0.412 0.000 1.285 454 F HN 0.553 nan 8.300 nan 0.000 0.440 455 S N 4.013 119.073 115.700 -1.067 0.000 2.415 455 S HA 0.469 4.938 4.470 -0.000 0.000 0.313 455 S C -1.204 172.993 174.600 -0.671 0.000 1.067 455 S CA -0.452 57.361 58.200 -0.645 0.000 1.099 455 S CB -0.220 62.680 63.200 -0.501 0.000 0.991 455 S HN 0.472 nan 8.310 nan 0.000 0.491 456 Y N 2.267 122.557 120.300 -0.017 0.000 2.335 456 Y HA 0.501 5.051 4.550 -0.000 0.000 0.331 456 Y C 1.546 177.483 175.900 0.061 0.000 1.094 456 Y CA 0.072 58.272 58.100 0.167 0.000 1.253 456 Y CB 0.466 39.063 38.460 0.229 0.000 1.203 456 Y HN 0.881 nan 8.280 nan 0.000 0.508 457 G N 1.013 109.944 108.800 0.218 0.000 2.771 457 G HA2 0.205 4.165 3.960 -0.000 0.000 0.242 457 G HA3 0.205 4.165 3.960 -0.000 0.000 0.242 457 G C 0.713 175.699 174.900 0.142 0.000 1.233 457 G CA -0.041 45.141 45.100 0.136 0.000 0.858 457 G HN 0.906 nan 8.290 nan 0.000 0.591 458 A N -0.456 122.417 122.820 0.089 0.000 2.252 458 A HA 0.327 4.647 4.320 -0.000 0.000 0.207 458 A C 1.490 179.114 177.584 0.066 0.000 1.194 458 A CA 1.200 53.280 52.037 0.071 0.000 0.809 458 A CB -0.101 18.926 19.000 0.046 0.000 0.814 458 A HN 0.986 nan 8.150 nan 0.000 0.482 459 V N -3.307 116.658 119.914 0.084 0.000 3.380 459 V HA 0.011 4.131 4.120 -0.000 0.000 0.277 459 V C 1.490 177.635 176.094 0.085 0.000 1.590 459 V CA 0.323 62.664 62.300 0.068 0.000 1.019 459 V CB -0.653 31.204 31.823 0.057 0.000 0.828 459 V HN 0.485 nan 8.190 nan 0.000 0.427 460 Q N 0.470 120.354 119.800 0.140 0.000 2.432 460 Q HA 0.075 4.414 4.340 -0.000 0.000 0.205 460 Q C 1.807 177.823 176.000 0.027 0.000 0.945 460 Q CA 0.590 56.484 55.803 0.151 0.000 0.924 460 Q CB 0.013 28.978 28.738 0.378 0.000 1.016 460 Q HN 0.615 nan 8.270 nan 0.000 0.503 461 Q N 0.048 119.886 119.800 0.063 0.000 2.436 461 Q HA -0.023 4.317 4.340 -0.000 0.000 0.209 461 Q C 1.772 177.765 176.000 -0.012 0.000 0.965 461 Q CA 0.527 56.331 55.803 0.002 0.000 0.910 461 Q CB 0.134 28.901 28.738 0.049 0.000 0.980 461 Q HN 0.199 nan 8.270 nan 0.000 0.491 462 S N -0.025 115.679 115.700 0.007 0.000 2.428 462 S HA -0.023 4.447 4.470 -0.000 0.000 0.230 462 S C 0.878 175.471 174.600 -0.012 0.000 1.014 462 S CA 0.267 58.469 58.200 0.004 0.000 0.957 462 S CB 0.242 63.453 63.200 0.019 0.000 0.784 462 S HN 0.117 nan 8.310 nan 0.000 0.499 463 I N 2.646 123.197 120.570 -0.033 0.000 2.396 463 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 463 I C 0.368 176.445 176.117 -0.067 0.000 0.999 463 I CA -1.209 60.067 61.300 -0.040 0.000 1.310 463 I CB 0.802 38.779 38.000 -0.040 0.000 1.404 463 I HN 0.139 nan 8.210 nan 0.000 0.496 464 D N 4.088 124.466 120.400 -0.036 0.000 2.472 464 D HA -0.063 4.577 4.640 -0.000 0.000 0.248 464 D C 1.215 177.479 176.300 -0.060 0.000 1.174 464 D CA 0.194 54.177 54.000 -0.029 0.000 0.883 464 D CB 1.117 41.921 40.800 0.008 0.000 1.149 464 D HN 0.661 nan 8.370 nan 0.000 0.488 465 S N 4.494 120.146 115.700 -0.080 0.000 2.400 465 S HA -0.226 4.244 4.470 -0.000 0.000 0.232 465 S C 1.655 176.224 174.600 -0.051 0.000 1.025 465 S CA 0.716 58.852 58.200 -0.106 0.000 0.993 465 S CB -0.115 63.033 63.200 -0.087 0.000 0.808 465 S HN 0.582 nan 8.310 nan 0.000 0.478 466 R N 0.893 121.379 120.500 -0.023 0.000 2.249 466 R HA 0.129 4.469 4.340 -0.000 0.000 0.230 466 R C 1.755 178.041 176.300 -0.023 0.000 1.121 466 R CA 1.151 57.237 56.100 -0.023 0.000 0.997 466 R CB -0.599 29.681 30.300 -0.033 0.000 0.867 466 R HN 0.463 nan 8.270 nan 0.000 0.465 467 L N 0.286 121.496 121.223 -0.021 0.000 2.509 467 L HA 0.153 4.492 4.340 -0.000 0.000 0.222 467 L C 0.646 177.521 176.870 0.007 0.000 1.123 467 L CA 0.121 54.957 54.840 -0.007 0.000 0.856 467 L CB 0.152 42.207 42.059 -0.007 0.000 0.985 467 L HN 0.053 nan 8.230 nan 0.000 0.456 468 I N 0.395 120.962 120.570 -0.005 0.000 2.331 468 I HA 0.236 4.406 4.170 -0.000 0.000 0.292 468 I C -0.625 175.507 176.117 0.026 0.000 0.998 468 I CA -0.414 60.896 61.300 0.016 0.000 1.267 468 I CB 1.731 39.720 38.000 -0.018 0.000 1.386 468 I HN -0.287 nan 8.210 nan 0.000 0.476 469 V N 5.161 125.110 119.914 0.059 0.000 2.540 469 V HA 0.340 4.460 4.120 -0.000 0.000 0.302 469 V C -0.708 175.393 176.094 0.011 0.000 1.035 469 V CA -0.828 61.469 62.300 -0.005 0.000 0.873 469 V CB 2.031 33.844 31.823 -0.016 0.000 0.992 469 V HN 0.576 nan 8.190 nan 0.000 0.428 470 D N 2.862 123.205 120.400 -0.096 0.000 2.177 470 D HA 0.453 5.093 4.640 -0.000 0.000 0.247 470 D C -0.970 175.280 176.300 -0.083 0.000 1.063 470 D CA 0.023 54.008 54.000 -0.025 0.000 0.867 470 D CB 1.428 42.254 40.800 0.043 0.000 1.168 470 D HN 0.441 nan 8.370 nan 0.000 0.445 471 W N 1.369 122.627 121.300 -0.071 0.000 2.532 471 W HA 0.472 5.132 4.660 -0.000 0.000 0.321 471 W C 0.306 176.877 176.519 0.087 0.000 1.037 471 W CA -0.866 56.500 57.345 0.035 0.000 1.220 471 W CB 1.297 30.677 29.460 -0.133 0.000 1.361 471 W HN -0.066 nan 8.180 nan 0.000 0.468 472 R N 2.858 123.627 120.500 0.447 0.000 2.483 472 R HA 0.475 4.815 4.340 -0.000 0.000 0.303 472 R C -1.577 174.952 176.300 0.381 0.000 0.987 472 R CA -0.782 55.475 56.100 0.262 0.000 0.881 472 R CB 1.357 31.774 30.300 0.195 0.000 1.177 472 R HN 0.194 nan 8.270 nan 0.000 0.451 473 F N 3.333 123.176 119.950 -0.179 0.000 2.458 473 F HA 0.499 5.026 4.527 -0.000 0.000 0.336 473 F C -0.358 175.368 175.800 -0.123 0.000 1.114 473 F CA -1.336 56.645 58.000 -0.031 0.000 0.987 473 F CB 1.045 39.979 39.000 -0.111 0.000 1.130 473 F HN 0.288 nan 8.300 nan 0.000 0.458 474 F N 1.342 121.483 119.950 0.318 0.000 2.467 474 F HA 0.686 5.212 4.527 -0.000 0.000 0.336 474 F C 0.589 176.600 175.800 0.352 0.000 1.123 474 F CA -1.114 57.074 58.000 0.313 0.000 0.964 474 F CB 1.605 40.833 39.000 0.380 0.000 1.136 474 F HN 0.516 nan 8.300 nan 0.000 0.447 475 G N 1.979 111.038 108.800 0.431 0.000 2.471 475 G HA2 0.674 4.634 3.960 -0.000 0.000 0.332 475 G HA3 0.674 4.634 3.960 -0.000 0.000 0.332 475 G C -1.088 173.999 174.900 0.312 0.000 1.176 475 G CA -1.139 44.192 45.100 0.386 0.000 0.949 475 G HN 0.702 nan 8.290 nan 0.000 0.488 476 R N -0.770 119.907 120.500 0.295 0.000 2.428 476 R HA 0.663 5.003 4.340 -0.000 0.000 0.294 476 R C -1.063 175.336 176.300 0.164 0.000 1.000 476 R CA -0.517 55.682 56.100 0.166 0.000 0.960 476 R CB 1.303 31.716 30.300 0.189 0.000 1.076 476 R HN 0.266 nan 8.270 nan 0.000 0.475 477 T N 2.062 116.683 114.554 0.112 0.000 2.792 477 T HA 0.111 4.460 4.350 -0.000 0.000 0.280 477 T C -0.710 174.071 174.700 0.135 0.000 0.990 477 T CA -0.628 61.592 62.100 0.199 0.000 0.960 477 T CB 1.350 70.412 68.868 0.325 0.000 0.939 477 T HN 0.675 nan 8.240 nan 0.000 0.439 478 E N 4.157 124.441 120.200 0.141 0.000 2.415 478 E HA 0.103 4.453 4.350 -0.000 0.000 0.263 478 E C -2.305 174.375 176.600 0.133 0.000 0.995 478 E CA -1.536 54.936 56.400 0.120 0.000 0.915 478 E CB 0.452 30.214 29.700 0.104 0.000 0.951 478 E HN 0.181 nan 8.360 nan 0.000 0.449 479 P HA 0.091 nan 4.420 nan 0.000 0.271 479 P C -1.243 176.205 177.300 0.246 0.000 1.233 479 P CA 0.151 63.387 63.100 0.228 0.000 0.764 479 P CB 0.585 32.434 31.700 0.249 0.000 0.825 480 K N 2.728 123.220 120.400 0.154 0.000 2.443 480 K HA 0.139 4.459 4.320 -0.000 0.000 0.252 480 K C 0.869 177.312 176.600 -0.262 0.000 0.933 480 K CA -0.608 55.682 56.287 0.005 0.000 0.792 480 K CB 2.087 34.559 32.500 -0.047 0.000 1.185 480 K HN 0.439 nan 8.250 nan 0.000 0.425 481 E N 2.308 122.188 120.200 -0.532 0.000 2.171 481 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 481 E C 0.950 177.310 176.600 -0.399 0.000 0.997 481 E CA 1.577 57.435 56.400 -0.903 0.000 0.810 481 E CB 0.473 29.839 29.700 -0.557 0.000 0.738 481 E HN 0.549 nan 8.360 nan 0.000 0.467 482 E N 0.311 120.377 120.200 -0.224 0.000 2.478 482 E HA -0.099 4.250 4.350 -0.000 0.000 0.198 482 E C -0.092 176.456 176.600 -0.086 0.000 1.046 482 E CA 0.267 56.588 56.400 -0.132 0.000 0.870 482 E CB -0.191 29.446 29.700 -0.106 0.000 0.818 482 E HN 0.067 nan 8.360 nan 0.000 0.527 483 N N 1.978 120.625 118.700 -0.087 0.000 2.420 483 N HA 0.193 4.933 4.740 -0.000 0.000 0.249 483 N C -0.828 174.758 175.510 0.127 0.000 1.033 483 N CA 0.003 53.062 53.050 0.015 0.000 0.944 483 N CB 1.146 39.622 38.487 -0.019 0.000 1.113 483 N HN 0.103 nan 8.380 nan 0.000 0.502 484 K N 1.259 121.782 120.400 0.206 0.000 2.426 484 K HA 0.462 4.782 4.320 -0.000 0.000 0.251 484 K C -1.086 175.681 176.600 0.279 0.000 0.941 484 K CA -0.948 55.477 56.287 0.231 0.000 0.808 484 K CB 2.525 35.159 32.500 0.224 0.000 1.265 484 K HN 0.179 nan 8.250 nan 0.000 0.432 485 L N 3.833 125.169 121.223 0.189 0.000 2.305 485 L HA 0.572 4.911 4.340 -0.000 0.000 0.284 485 L C -1.260 175.571 176.870 -0.065 0.000 1.013 485 L CA -0.073 54.717 54.840 -0.083 0.000 0.819 485 L CB 0.599 42.605 42.059 -0.089 0.000 1.227 485 L HN 0.706 nan 8.230 nan 0.000 0.417 486 W N 3.591 124.607 121.300 -0.474 0.000 3.017 486 W HA 0.626 5.286 4.660 -0.001 0.000 0.341 486 W C -2.216 173.857 176.519 -0.744 0.000 1.180 486 W CA -1.247 55.876 57.345 -0.370 0.000 1.097 486 W CB 0.933 30.321 29.460 -0.120 0.000 1.468 486 W HN 0.332 nan 8.180 nan 0.000 0.584 487 F N 1.636 121.753 119.950 0.278 0.000 2.536 487 F HA 0.319 4.845 4.527 -0.000 0.000 0.322 487 F C 0.805 176.745 175.800 0.232 0.000 1.144 487 F CA -0.855 57.190 58.000 0.075 0.000 0.924 487 F CB 2.044 41.082 39.000 0.064 0.000 1.181 487 F HN 0.279 nan 8.300 nan 0.000 0.438 488 S N 1.252 117.050 115.700 0.164 0.000 2.558 488 S HA 0.007 4.477 4.470 -0.000 0.000 0.288 488 S C 0.819 175.556 174.600 0.228 0.000 1.318 488 S CA -0.313 58.032 58.200 0.242 0.000 1.056 488 S CB 0.328 63.575 63.200 0.078 0.000 0.853 488 S HN 0.694 nan 8.310 nan 0.000 0.505 489 D N 2.686 123.215 120.400 0.215 0.000 2.328 489 D HA 0.129 4.768 4.640 -0.000 0.000 0.221 489 D C 0.916 177.277 176.300 0.102 0.000 1.072 489 D CA 0.314 54.398 54.000 0.141 0.000 0.850 489 D CB 0.189 41.058 40.800 0.115 0.000 0.922 489 D HN 0.475 nan 8.370 nan 0.000 0.516 490 K N -0.208 120.254 120.400 0.103 0.000 2.485 490 K HA 0.132 4.451 4.320 -0.000 0.000 0.200 490 K C -0.035 176.604 176.600 0.065 0.000 1.352 490 K CA -0.100 56.232 56.287 0.075 0.000 0.953 490 K CB 0.946 33.492 32.500 0.075 0.000 1.387 490 K HN -0.025 nan 8.250 nan 0.000 0.512 491 I N 3.486 124.095 120.570 0.065 0.000 2.396 491 I HA 0.151 4.320 4.170 -0.000 0.000 0.292 491 I C 0.379 176.526 176.117 0.049 0.000 0.999 491 I CA -0.083 61.244 61.300 0.045 0.000 1.310 491 I CB 1.105 39.117 38.000 0.021 0.000 1.404 491 I HN 0.183 nan 8.210 nan 0.000 0.496 492 T N 1.149 115.731 114.554 0.047 0.000 2.908 492 T HA 0.548 4.897 4.350 -0.000 0.000 0.290 492 T C -0.301 174.433 174.700 0.057 0.000 1.034 492 T CA -0.936 61.200 62.100 0.061 0.000 1.010 492 T CB 2.372 71.273 68.868 0.056 0.000 1.068 492 T HN 0.549 nan 8.240 nan 0.000 0.481 493 D N 1.215 121.666 120.400 0.086 0.000 2.425 493 D HA 0.403 5.043 4.640 -0.000 0.000 0.274 493 D C 1.717 178.057 176.300 0.066 0.000 1.242 493 D CA -0.299 53.758 54.000 0.093 0.000 1.060 493 D CB -0.182 40.712 40.800 0.157 0.000 1.112 493 D HN 0.648 nan 8.370 nan 0.000 0.561 494 A N -1.421 121.431 122.820 0.054 0.000 2.070 494 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 494 A C 1.341 178.745 177.584 -0.300 0.000 1.159 494 A CA 0.965 52.936 52.037 -0.111 0.000 0.656 494 A CB -0.983 17.927 19.000 -0.150 0.000 0.800 494 A HN 0.556 nan 8.150 nan 0.000 0.453 495 Y N -1.476 118.839 120.300 0.026 0.000 2.571 495 Y HA 0.241 4.791 4.550 -0.000 0.000 0.275 495 Y C 0.863 176.787 175.900 0.041 0.000 1.179 495 Y CA -0.112 58.004 58.100 0.027 0.000 1.242 495 Y CB -0.274 38.187 38.460 0.001 0.000 1.126 495 Y HN 0.459 nan 8.280 nan 0.000 0.524 496 N N -0.337 118.428 118.700 0.107 0.000 2.741 496 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 496 N C -0.631 174.934 175.510 0.092 0.000 1.115 496 N CA 0.522 53.622 53.050 0.083 0.000 0.724 496 N CB -0.493 38.037 38.487 0.072 0.000 1.090 496 N HN 0.090 nan 8.380 nan 0.000 0.558 497 M N -0.196 119.474 119.600 0.118 0.000 2.598 497 M HA 0.450 4.930 4.480 -0.000 0.000 0.317 497 M C -2.068 174.298 176.300 0.110 0.000 1.201 497 M CA -2.084 53.275 55.300 0.097 0.000 0.971 497 M CB 0.476 33.138 32.600 0.104 0.000 1.657 497 M HN -0.235 nan 8.290 nan 0.000 0.470 498 P HA -0.012 nan 4.420 nan 0.000 0.262 498 P C -0.647 176.804 177.300 0.252 0.000 1.182 498 P CA 0.105 63.304 63.100 0.165 0.000 0.761 498 P CB 0.238 32.046 31.700 0.181 0.000 0.795 499 Q N 6.778 126.665 119.800 0.145 0.000 2.293 499 Q HA 0.208 4.548 4.340 -0.000 0.000 0.263 499 Q C -2.307 173.624 176.000 -0.115 0.000 1.002 499 Q CA -2.206 53.623 55.803 0.042 0.000 0.910 499 Q CB -0.092 28.628 28.738 -0.030 0.000 1.185 499 Q HN 0.277 nan 8.270 nan 0.000 0.401 500 P HA 0.128 nan 4.420 nan 0.000 0.271 500 P C -1.047 175.732 177.300 -0.867 0.000 1.216 500 P CA -0.147 62.492 63.100 -0.769 0.000 0.776 500 P CB 1.073 32.421 31.700 -0.587 0.000 0.881 501 T N 2.854 116.669 114.554 -1.231 0.000 2.886 501 T HA 0.531 4.881 4.350 -0.000 0.000 0.292 501 T C -0.511 173.508 174.700 -1.135 0.000 1.012 501 T CA -0.130 61.267 62.100 -1.172 0.000 0.982 501 T CB 0.582 68.474 68.868 -1.627 0.000 1.018 501 T HN 0.059 nan 8.240 nan 0.000 0.451 502 F N 1.764 121.464 119.950 -0.418 0.000 2.397 502 F HA 0.512 5.039 4.527 -0.000 0.000 0.331 502 F C 0.685 176.469 175.800 -0.026 0.000 1.090 502 F CA -0.968 56.914 58.000 -0.197 0.000 1.065 502 F CB 1.063 39.989 39.000 -0.125 0.000 1.184 502 F HN 0.407 nan 8.300 nan 0.000 0.499 503 D N 3.147 123.740 120.400 0.321 0.000 2.408 503 D HA 0.222 4.862 4.640 -0.000 0.000 0.261 503 D C -1.759 174.688 176.300 0.245 0.000 1.190 503 D CA -0.076 54.092 54.000 0.280 0.000 0.910 503 D CB 0.326 41.310 40.800 0.307 0.000 1.097 503 D HN 0.304 nan 8.370 nan 0.000 0.522 504 F N 3.058 123.017 119.950 0.016 0.000 2.569 504 F HA 0.593 5.120 4.527 -0.000 0.000 0.312 504 F C -1.154 174.560 175.800 -0.144 0.000 1.109 504 F CA -0.621 57.322 58.000 -0.094 0.000 0.919 504 F CB 1.453 40.338 39.000 -0.192 0.000 1.211 504 F HN 0.007 nan 8.300 nan 0.000 0.446 505 R N 4.475 124.446 120.500 -0.882 0.000 2.651 505 R HA 0.317 4.657 4.340 -0.000 0.000 0.278 505 R C -1.683 174.008 176.300 -1.014 0.000 1.010 505 R CA -0.903 54.795 56.100 -0.669 0.000 0.896 505 R CB 1.751 31.873 30.300 -0.297 0.000 1.211 505 R HN 0.597 nan 8.270 nan 0.000 0.456 506 F N 3.401 123.102 119.950 -0.415 0.000 2.578 506 F HA 0.143 4.669 4.527 -0.000 0.000 0.381 506 F C -1.248 174.422 175.800 -0.217 0.000 1.069 506 F CA -0.928 56.928 58.000 -0.240 0.000 1.231 506 F CB -0.048 38.934 39.000 -0.030 0.000 1.086 506 F HN 0.154 nan 8.300 nan 0.000 0.564 507 P HA 0.088 nan 4.420 nan 0.000 0.266 507 P C -0.600 176.712 177.300 0.020 0.000 1.195 507 P CA -0.191 62.887 63.100 -0.035 0.000 0.768 507 P CB 0.448 32.148 31.700 -0.001 0.000 0.838 508 A N 2.797 125.616 122.820 -0.003 0.000 2.448 508 A HA 0.518 4.838 4.320 -0.000 0.000 0.239 508 A C 1.117 178.715 177.584 0.023 0.000 1.080 508 A CA 0.949 52.991 52.037 0.008 0.000 0.779 508 A CB -0.988 18.009 19.000 -0.004 0.000 1.026 508 A HN 0.859 nan 8.150 nan 0.000 0.499 509 G N 0.230 109.046 108.800 0.027 0.000 2.475 509 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.223 509 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.223 509 G C 0.973 175.903 174.900 0.050 0.000 1.201 509 G CA 0.655 45.777 45.100 0.036 0.000 0.962 509 G HN 1.060 nan 8.290 nan 0.000 0.586 510 R N -0.179 120.357 120.500 0.061 0.000 2.103 510 R HA -0.118 4.221 4.340 -0.000 0.000 0.242 510 R C 2.727 179.084 176.300 0.094 0.000 1.142 510 R CA 2.885 59.031 56.100 0.076 0.000 0.960 510 R CB -0.955 29.392 30.300 0.079 0.000 0.858 510 R HN 0.627 nan 8.270 nan 0.000 0.439 511 T N -0.030 114.584 114.554 0.100 0.000 2.720 511 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 511 T C 1.934 176.688 174.700 0.089 0.000 1.037 511 T CA 1.792 63.965 62.100 0.122 0.000 1.144 511 T CB -0.162 68.800 68.868 0.157 0.000 0.864 511 T HN 0.273 nan 8.240 nan 0.000 0.444 512 S N 0.326 116.063 115.700 0.062 0.000 2.371 512 S HA 0.008 4.477 4.470 -0.000 0.000 0.224 512 S C 2.038 176.647 174.600 0.015 0.000 1.029 512 S CA 0.764 58.972 58.200 0.013 0.000 0.978 512 S CB -0.142 63.063 63.200 0.008 0.000 0.833 512 S HN 0.428 nan 8.310 nan 0.000 0.466 513 K N 1.275 121.700 120.400 0.042 0.000 2.057 513 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 513 K C 1.871 178.521 176.600 0.083 0.000 1.050 513 K CA 1.291 57.610 56.287 0.052 0.000 0.935 513 K CB -0.131 32.404 32.500 0.059 0.000 0.715 513 K HN 0.365 nan 8.250 nan 0.000 0.439 514 E N -0.003 120.269 120.200 0.121 0.000 2.077 514 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 514 E C 1.944 178.622 176.600 0.130 0.000 0.989 514 E CA 1.082 57.605 56.400 0.204 0.000 0.800 514 E CB -0.113 29.740 29.700 0.254 0.000 0.746 514 E HN 0.419 nan 8.360 nan 0.000 0.452 515 A N 1.224 124.094 122.820 0.082 0.000 1.933 515 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 515 A C 2.051 179.683 177.584 0.080 0.000 1.175 515 A CA 1.758 53.835 52.037 0.067 0.000 0.628 515 A CB -0.339 18.675 19.000 0.024 0.000 0.814 515 A HN 0.122 nan 8.150 nan 0.000 0.444 516 E N 0.603 120.840 120.200 0.061 0.000 2.072 516 E HA -0.132 4.217 4.350 -0.000 0.000 0.190 516 E C 1.333 177.910 176.600 -0.039 0.000 0.982 516 E CA 1.415 57.848 56.400 0.055 0.000 0.803 516 E CB -0.286 29.434 29.700 0.033 0.000 0.755 516 E HN 0.534 nan 8.360 nan 0.000 0.453 517 D N 0.033 120.415 120.400 -0.030 0.000 2.149 517 D HA -0.202 4.438 4.640 -0.000 0.000 0.198 517 D C 1.930 177.981 176.300 -0.415 0.000 0.990 517 D CA 1.196 55.159 54.000 -0.062 0.000 0.839 517 D CB -0.339 40.560 40.800 0.164 0.000 0.948 517 D HN 0.330 nan 8.370 nan 0.000 0.460 518 M N -0.286 118.890 119.600 -0.708 0.000 2.132 518 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 518 M C 2.058 177.945 176.300 -0.688 0.000 1.065 518 M CA 1.079 55.635 55.300 -1.239 0.000 1.122 518 M CB 0.030 32.129 32.600 -0.836 0.000 1.365 518 M HN -0.058 nan 8.290 nan 0.000 0.411 519 M N 0.382 119.704 119.600 -0.464 0.000 2.080 519 M HA -0.163 4.317 4.480 -0.000 0.000 0.260 519 M C 1.796 177.879 176.300 -0.362 0.000 1.068 519 M CA 2.391 57.421 55.300 -0.451 0.000 1.109 519 M CB -0.957 31.443 32.600 -0.334 0.000 1.342 519 M HN 0.255 nan 8.290 nan 0.000 0.405 520 T N -0.061 114.345 114.554 -0.246 0.000 2.746 520 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 520 T C 1.486 176.099 174.700 -0.144 0.000 1.039 520 T CA 1.810 63.817 62.100 -0.155 0.000 1.142 520 T CB -0.597 68.227 68.868 -0.073 0.000 0.866 520 T HN 0.541 nan 8.240 nan 0.000 0.444 521 D N 0.459 120.769 120.400 -0.150 0.000 2.144 521 D HA -0.065 4.574 4.640 -0.000 0.000 0.199 521 D C 2.053 178.328 176.300 -0.042 0.000 0.984 521 D CA 0.814 54.833 54.000 0.031 0.000 0.834 521 D CB -0.203 40.714 40.800 0.195 0.000 0.955 521 D HN 0.296 nan 8.370 nan 0.000 0.465 522 M N -0.573 118.768 119.600 -0.431 0.000 2.117 522 M HA -0.167 4.312 4.480 -0.000 0.000 0.262 522 M C 1.930 177.917 176.300 -0.521 0.000 1.065 522 M CA 1.337 56.122 55.300 -0.859 0.000 1.114 522 M CB -0.137 31.679 32.600 -1.307 0.000 1.361 522 M HN 0.195 nan 8.290 nan 0.000 0.408 523 C N -0.370 118.728 119.300 -0.337 0.000 2.429 523 C HA -0.102 4.358 4.460 -0.000 0.000 0.277 523 C C 2.665 177.550 174.990 -0.176 0.000 1.262 523 C CA 0.778 59.698 59.018 -0.163 0.000 1.733 523 C CB -1.008 26.691 27.740 -0.068 0.000 2.010 523 C HN 0.492 nan 8.230 nan 0.000 0.483 524 V N 0.576 120.419 119.914 -0.118 0.000 2.295 524 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 524 V C 2.393 178.463 176.094 -0.040 0.000 1.049 524 V CA 2.299 64.566 62.300 -0.057 0.000 1.024 524 V CB -0.628 31.212 31.823 0.028 0.000 0.648 524 V HN 0.593 nan 8.190 nan 0.000 0.447 525 M N 0.590 120.194 119.600 0.006 0.000 2.123 525 M HA -0.142 4.337 4.480 -0.000 0.000 0.263 525 M C 2.514 178.705 176.300 -0.181 0.000 1.069 525 M CA 2.134 57.518 55.300 0.139 0.000 1.133 525 M CB -0.189 32.633 32.600 0.371 0.000 1.356 525 M HN 0.541 nan 8.290 nan 0.000 0.415 526 S N 0.665 115.944 115.700 -0.703 0.000 2.400 526 S HA -0.119 4.351 4.470 -0.000 0.000 0.232 526 S C 1.927 176.175 174.600 -0.586 0.000 1.025 526 S CA 1.153 58.578 58.200 -1.292 0.000 0.993 526 S CB -0.903 61.361 63.200 -1.560 0.000 0.808 526 S HN 0.574 nan 8.310 nan 0.000 0.478 527 A N 1.630 124.199 122.820 -0.418 0.000 2.121 527 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 527 A C 2.133 179.603 177.584 -0.190 0.000 1.154 527 A CA 1.212 53.048 52.037 -0.335 0.000 0.679 527 A CB -0.476 18.349 19.000 -0.291 0.000 0.795 527 A HN 0.625 nan 8.150 nan 0.000 0.458 528 K N -0.744 119.589 120.400 -0.111 0.000 2.366 528 K HA 0.084 4.404 4.320 -0.000 0.000 0.198 528 K C 1.022 177.627 176.600 0.007 0.000 1.044 528 K CA 0.549 56.813 56.287 -0.038 0.000 0.973 528 K CB 0.094 32.600 32.500 0.011 0.000 0.767 528 K HN 0.369 nan 8.250 nan 0.000 0.475 529 I N -1.007 119.587 120.570 0.041 0.000 3.445 529 I HA 0.194 4.364 4.170 -0.000 0.000 0.288 529 I C 1.104 177.250 176.117 0.048 0.000 1.198 529 I CA 0.568 61.938 61.300 0.115 0.000 1.417 529 I CB 0.151 38.361 38.000 0.349 0.000 1.205 529 I HN 0.116 nan 8.210 nan 0.000 0.448 530 G N -0.801 107.981 108.800 -0.031 0.000 2.340 530 G HA2 0.461 4.421 3.960 -0.000 0.000 0.299 530 G HA3 0.461 4.421 3.960 -0.000 0.000 0.299 530 G C -0.772 174.002 174.900 -0.210 0.000 1.291 530 G CA -0.118 44.933 45.100 -0.082 0.000 0.841 530 G HN 0.288 nan 8.290 nan 0.000 0.500 531 G N -1.125 107.552 108.800 -0.205 0.000 2.504 531 G HA2 0.575 4.535 3.960 -0.000 0.000 0.288 531 G HA3 0.575 4.535 3.960 -0.000 0.000 0.288 531 G C -0.401 174.343 174.900 -0.259 0.000 1.182 531 G CA -0.561 44.337 45.100 -0.336 0.000 0.894 531 G HN 0.423 nan 8.290 nan 0.000 0.521 532 F N -0.436 119.433 119.950 -0.135 0.000 2.563 532 F HA 0.161 4.688 4.527 -0.000 0.000 0.363 532 F C 0.751 176.503 175.800 -0.080 0.000 1.123 532 F CA -0.735 57.182 58.000 -0.140 0.000 1.307 532 F CB 0.619 39.526 39.000 -0.155 0.000 1.115 532 F HN 0.170 nan 8.300 nan 0.000 0.592 533 L N 6.348 127.658 121.223 0.146 0.000 2.361 533 L HA 0.399 4.739 4.340 -0.000 0.000 0.278 533 L C -2.393 174.533 176.870 0.094 0.000 1.113 533 L CA -1.833 53.065 54.840 0.096 0.000 0.849 533 L CB 0.136 42.248 42.059 0.088 0.000 1.155 533 L HN 0.288 nan 8.230 nan 0.000 0.452 534 P HA 0.194 nan 4.420 nan 0.000 0.262 534 P C 0.603 177.949 177.300 0.076 0.000 1.182 534 P CA 1.018 64.159 63.100 0.069 0.000 0.761 534 P CB 0.650 32.386 31.700 0.059 0.000 0.795 535 G N 2.213 111.046 108.800 0.055 0.000 2.195 535 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.246 535 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.246 535 G C 0.550 175.506 174.900 0.094 0.000 0.984 535 G CA 0.217 45.361 45.100 0.073 0.000 0.633 535 G HN 0.515 nan 8.290 nan 0.000 0.525 536 S N 0.641 116.376 115.700 0.058 0.000 2.740 536 S HA 0.576 5.045 4.470 -0.000 0.000 0.244 536 S C 0.913 175.409 174.600 -0.173 0.000 1.101 536 S CA 0.194 58.417 58.200 0.038 0.000 1.123 536 S CB 0.637 63.873 63.200 0.060 0.000 1.012 536 S HN 1.145 nan 8.310 nan 0.000 0.491 537 G N 2.475 111.138 108.800 -0.228 0.000 2.651 537 G HA2 0.436 4.396 3.960 -0.000 0.000 0.260 537 G HA3 0.436 4.396 3.960 -0.000 0.000 0.260 537 G C -2.948 171.588 174.900 -0.605 0.000 1.216 537 G CA -1.483 43.285 45.100 -0.554 0.000 0.913 537 G HN 0.122 nan 8.290 nan 0.000 0.535 538 P HA 0.111 nan 4.420 nan 0.000 0.264 538 P C -0.518 176.549 177.300 -0.388 0.000 1.193 538 P CA 0.532 63.241 63.100 -0.652 0.000 0.763 538 P CB 0.464 31.755 31.700 -0.682 0.000 0.810 539 Q N 1.611 121.222 119.800 -0.316 0.000 2.426 539 Q HA 0.471 4.811 4.340 -0.000 0.000 0.278 539 Q C -1.368 174.474 176.000 -0.265 0.000 1.007 539 Q CA -0.855 54.841 55.803 -0.178 0.000 0.850 539 Q CB 0.746 29.462 28.738 -0.037 0.000 1.427 539 Q HN 0.088 nan 8.270 nan 0.000 0.391 540 F N 1.529 121.428 119.950 -0.086 0.000 2.429 540 F HA 0.298 4.825 4.527 -0.000 0.000 0.348 540 F C 0.687 176.457 175.800 -0.049 0.000 1.109 540 F CA -0.108 57.842 58.000 -0.083 0.000 1.232 540 F CB 0.879 39.821 39.000 -0.096 0.000 1.157 540 F HN 0.382 nan 8.300 nan 0.000 0.564 541 M N 1.703 121.362 119.600 0.098 0.000 2.359 541 M HA 0.145 4.625 4.480 -0.000 0.000 0.322 541 M C 0.195 176.540 176.300 0.074 0.000 1.166 541 M CA -0.514 54.810 55.300 0.041 0.000 1.067 541 M CB 0.977 33.554 32.600 -0.038 0.000 1.523 541 M HN 0.584 nan 8.290 nan 0.000 0.467 542 E N 2.875 123.092 120.200 0.029 0.000 2.652 542 E HA -0.010 4.340 4.350 -0.000 0.000 0.255 542 E C -2.162 174.459 176.600 0.035 0.000 0.952 542 E CA -1.157 55.258 56.400 0.024 0.000 0.947 542 E CB 0.359 30.051 29.700 -0.014 0.000 0.912 542 E HN 0.182 nan 8.360 nan 0.000 0.489 543 P HA 0.040 nan 4.420 nan 0.000 0.262 543 P C 0.269 177.512 177.300 -0.095 0.000 1.199 543 P CA 0.940 64.079 63.100 0.066 0.000 0.763 543 P CB 0.723 32.477 31.700 0.089 0.000 0.790 544 G N 2.523 111.268 108.800 -0.092 0.000 2.213 544 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.236 544 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.236 544 G C 0.720 175.576 174.900 -0.074 0.000 0.991 544 G CA 0.121 45.126 45.100 -0.158 0.000 0.629 544 G HN 0.512 nan 8.290 nan 0.000 0.517 545 L N 1.141 122.337 121.223 -0.044 0.000 2.131 545 L HA 0.163 4.503 4.340 -0.000 0.000 0.210 545 L C 2.883 179.738 176.870 -0.026 0.000 1.092 545 L CA 2.452 57.268 54.840 -0.039 0.000 0.759 545 L CB -0.441 41.588 42.059 -0.050 0.000 0.903 545 L HN 0.551 nan 8.230 nan 0.000 0.435 546 V N -0.357 119.548 119.914 -0.015 0.000 2.370 546 V HA -0.299 3.821 4.120 -0.000 0.000 0.252 546 V C 1.966 177.974 176.094 -0.142 0.000 1.068 546 V CA 2.375 64.657 62.300 -0.031 0.000 1.061 546 V CB -0.100 31.762 31.823 0.065 0.000 0.656 546 V HN 0.587 nan 8.190 nan 0.000 0.455 547 L N -2.373 118.833 121.223 -0.028 0.000 4.892 547 L HA -0.252 4.088 4.340 -0.000 0.000 0.403 547 L C 0.815 177.803 176.870 0.197 0.000 0.913 547 L CA 1.104 55.982 54.840 0.063 0.000 1.653 547 L CB -2.242 39.881 42.059 0.107 0.000 1.780 547 L HN 0.521 nan 8.230 nan 0.000 0.597 548 H N 0.307 119.486 119.070 0.182 0.000 2.842 548 H HA 0.245 4.801 4.556 -0.000 0.000 0.312 548 H C 0.679 176.142 175.328 0.226 0.000 1.137 548 H CA -0.842 55.346 56.048 0.234 0.000 1.176 548 H CB 0.148 30.102 29.762 0.320 0.000 1.361 548 H HN 0.109 nan 8.280 nan 0.000 0.557 549 L N 1.792 123.152 121.223 0.229 0.000 2.559 549 L HA 0.087 4.427 4.340 -0.000 0.000 0.274 549 L C 0.748 177.733 176.870 0.191 0.000 1.205 549 L CA 0.657 55.580 54.840 0.139 0.000 0.907 549 L CB 0.236 42.339 42.059 0.074 0.000 1.153 549 L HN 0.274 nan 8.230 nan 0.000 0.490 550 G N 2.060 110.985 108.800 0.209 0.000 2.605 550 G HA2 0.547 4.507 3.960 -0.000 0.000 0.296 550 G HA3 0.547 4.507 3.960 -0.000 0.000 0.296 550 G C 0.309 175.304 174.900 0.158 0.000 1.304 550 G CA -0.268 44.972 45.100 0.233 0.000 0.941 550 G HN 1.247 nan 8.290 nan 0.000 0.475 551 G N -0.918 107.942 108.800 0.100 0.000 2.176 551 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 551 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 551 G C 1.358 176.318 174.900 0.099 0.000 0.979 551 G CA 1.380 46.549 45.100 0.115 0.000 0.641 551 G HN 1.832 nan 8.290 nan 0.000 0.530 552 T N -1.737 112.830 114.554 0.021 0.000 2.915 552 T HA 0.100 4.450 4.350 -0.000 0.000 0.269 552 T C 1.072 175.865 174.700 0.154 0.000 1.071 552 T CA 1.959 64.115 62.100 0.092 0.000 1.132 552 T CB -0.302 68.625 68.868 0.099 0.000 0.878 552 T HN 1.564 nan 8.240 nan 0.000 0.479 553 H N -0.090 119.048 119.070 0.113 0.000 2.600 553 H HA 0.481 5.036 4.556 -0.000 0.000 0.224 553 H C -0.186 175.178 175.328 0.060 0.000 1.413 553 H CA -1.354 54.737 56.048 0.072 0.000 1.401 553 H CB -0.260 29.511 29.762 0.015 0.000 1.772 553 H HN 0.376 nan 8.280 nan 0.000 0.528 554 R N 1.076 121.665 120.500 0.147 0.000 2.582 554 R HA 0.354 4.693 4.340 -0.000 0.000 0.271 554 R C -0.377 175.981 176.300 0.096 0.000 1.078 554 R CA -0.793 55.363 56.100 0.093 0.000 1.127 554 R CB 1.100 31.443 30.300 0.071 0.000 1.038 554 R HN 0.498 nan 8.270 nan 0.000 0.500 555 M N 1.588 121.221 119.600 0.054 0.000 2.274 555 M HA 0.452 4.931 4.480 -0.000 0.000 0.344 555 M C -0.543 175.755 176.300 -0.004 0.000 1.161 555 M CA 0.240 55.547 55.300 0.012 0.000 1.126 555 M CB 1.553 34.132 32.600 -0.034 0.000 1.522 555 M HN 0.945 nan 8.290 nan 0.000 0.461 556 G N 2.105 110.912 108.800 0.012 0.000 2.550 556 G HA2 0.420 4.380 3.960 -0.000 0.000 0.293 556 G HA3 0.420 4.380 3.960 -0.000 0.000 0.293 556 G C -0.921 173.984 174.900 0.007 0.000 1.402 556 G CA -0.686 44.386 45.100 -0.046 0.000 0.784 556 G HN 0.682 nan 8.290 nan 0.000 0.482 557 F N -0.057 119.994 119.950 0.167 0.000 2.234 557 F HA 0.236 4.763 4.527 -0.000 0.000 0.296 557 F C 1.195 177.117 175.800 0.203 0.000 1.089 557 F CA 1.109 59.209 58.000 0.168 0.000 1.343 557 F CB 0.557 39.614 39.000 0.095 0.000 1.040 557 F HN 0.285 nan 8.300 nan 0.000 0.498 558 D N -0.474 120.074 120.400 0.247 0.000 2.757 558 D HA 0.059 4.699 4.640 -0.000 0.000 0.249 558 D C 0.607 176.724 176.300 -0.306 0.000 1.168 558 D CA -0.108 53.875 54.000 -0.029 0.000 0.870 558 D CB 1.811 42.624 40.800 0.022 0.000 1.411 558 D HN 0.168 nan 8.370 nan 0.000 0.525 559 E N 3.265 122.955 120.200 -0.850 0.000 2.049 559 E HA -0.260 4.089 4.350 -0.000 0.000 0.198 559 E C 1.525 177.951 176.600 -0.290 0.000 1.007 559 E CA 1.490 57.393 56.400 -0.829 0.000 0.809 559 E CB 0.303 29.430 29.700 -0.956 0.000 0.749 559 E HN 0.427 nan 8.360 nan 0.000 0.450 560 K N 0.264 120.540 120.400 -0.207 0.000 2.007 560 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 560 K C 2.015 178.585 176.600 -0.050 0.000 1.047 560 K CA 1.659 57.892 56.287 -0.090 0.000 0.937 560 K CB 0.045 32.506 32.500 -0.065 0.000 0.718 560 K HN 0.078 nan 8.250 nan 0.000 0.438 561 E N 0.004 120.177 120.200 -0.045 0.000 2.152 561 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 561 E C 0.622 177.223 176.600 0.002 0.000 0.983 561 E CA 0.985 57.381 56.400 -0.006 0.000 0.818 561 E CB 0.222 29.928 29.700 0.011 0.000 0.758 561 E HN 0.368 nan 8.360 nan 0.000 0.467 562 D N 0.146 120.541 120.400 -0.008 0.000 2.402 562 D HA 0.056 4.696 4.640 -0.000 0.000 0.216 562 D C -0.654 175.594 176.300 -0.087 0.000 1.128 562 D CA -0.042 53.952 54.000 -0.011 0.000 0.833 562 D CB 0.106 40.939 40.800 0.054 0.000 0.971 562 D HN 0.051 nan 8.370 nan 0.000 0.503 563 N N 0.746 119.393 118.700 -0.088 0.000 2.669 563 N HA -0.192 4.548 4.740 -0.000 0.000 0.266 563 N C -0.296 175.147 175.510 -0.111 0.000 1.024 563 N CA 0.579 53.561 53.050 -0.113 0.000 0.766 563 N CB -1.314 37.011 38.487 -0.270 0.000 0.898 563 N HN 0.414 nan 8.380 nan 0.000 0.548 564 C N -3.187 116.116 119.300 0.005 0.000 3.154 564 C HA 0.762 5.222 4.460 -0.000 0.000 0.312 564 C C 1.467 176.621 174.990 0.272 0.000 1.349 564 C CA -0.765 58.328 59.018 0.124 0.000 1.518 564 C CB 1.574 29.418 27.740 0.173 0.000 1.934 564 C HN 0.510 nan 8.230 nan 0.000 0.462 565 C N 0.325 119.810 119.300 0.308 0.000 2.800 565 C HA 0.453 4.913 4.460 -0.000 0.000 0.379 565 C C 0.801 175.895 174.990 0.174 0.000 1.304 565 C CA 0.593 59.791 59.018 0.301 0.000 1.960 565 C CB -0.475 27.361 27.740 0.161 0.000 2.599 565 C HN 0.938 nan 8.230 nan 0.000 0.578 566 V N 1.342 121.250 119.914 -0.010 0.000 2.960 566 V HA 0.711 4.830 4.120 -0.000 0.000 0.315 566 V C -0.689 175.065 176.094 -0.567 0.000 1.087 566 V CA -0.658 61.394 62.300 -0.414 0.000 0.982 566 V CB 1.509 33.205 31.823 -0.211 0.000 1.039 566 V HN 0.419 nan 8.190 nan 0.000 0.437 567 N N 0.821 119.016 118.700 -0.842 0.000 2.431 567 N HA 0.253 4.992 4.740 -0.000 0.000 0.289 567 N C 1.032 176.394 175.510 -0.246 0.000 1.277 567 N CA 0.243 53.022 53.050 -0.451 0.000 0.972 567 N CB -0.081 38.159 38.487 -0.411 0.000 1.143 567 N HN 0.927 nan 8.380 nan 0.000 0.578 568 T N -4.744 109.704 114.554 -0.177 0.000 3.113 568 T HA 0.002 4.352 4.350 -0.000 0.000 0.263 568 T C 0.110 174.727 174.700 -0.138 0.000 1.143 568 T CA 0.681 62.678 62.100 -0.172 0.000 1.090 568 T CB -0.373 68.398 68.868 -0.163 0.000 0.922 568 T HN 0.444 nan 8.240 nan 0.000 0.521 569 D N 0.892 121.206 120.400 -0.143 0.000 2.340 569 D HA 0.207 4.846 4.640 -0.000 0.000 0.217 569 D C 0.546 176.850 176.300 0.007 0.000 1.081 569 D CA 0.079 54.020 54.000 -0.097 0.000 0.842 569 D CB 0.166 40.813 40.800 -0.254 0.000 0.934 569 D HN 0.313 nan 8.370 nan 0.000 0.511 570 S N 0.200 115.868 115.700 -0.053 0.000 3.490 570 S HA -0.243 4.226 4.470 -0.000 0.000 0.301 570 S C 0.527 175.109 174.600 -0.029 0.000 1.233 570 S CA 0.461 58.667 58.200 0.010 0.000 0.914 570 S CB -1.231 62.050 63.200 0.135 0.000 1.047 570 S HN 0.455 nan 8.310 nan 0.000 0.602 571 R N 0.925 121.275 120.500 -0.249 0.000 2.349 571 R HA 0.524 4.864 4.340 -0.000 0.000 0.299 571 R C -0.126 175.859 176.300 -0.524 0.000 1.027 571 R CA -0.441 55.315 56.100 -0.574 0.000 0.958 571 R CB 0.786 30.711 30.300 -0.624 0.000 1.047 571 R HN 0.126 nan 8.270 nan 0.000 0.468 572 V N 5.785 125.430 119.914 -0.449 0.000 2.555 572 V HA 0.082 4.201 4.120 -0.000 0.000 0.286 572 V C 0.053 176.089 176.094 -0.098 0.000 1.044 572 V CA -0.020 62.106 62.300 -0.290 0.000 1.026 572 V CB 0.268 31.893 31.823 -0.329 0.000 0.981 572 V HN 0.579 nan 8.190 nan 0.000 0.480 573 F N 3.687 123.674 119.950 0.060 0.000 2.623 573 F HA 0.353 4.880 4.527 -0.000 0.000 0.383 573 F C 1.627 177.548 175.800 0.203 0.000 1.077 573 F CA 1.539 59.599 58.000 0.100 0.000 1.268 573 F CB -0.122 38.928 39.000 0.083 0.000 1.053 573 F HN 0.799 nan 8.300 nan 0.000 0.571 574 G N 2.198 111.166 108.800 0.280 0.000 2.245 574 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.264 574 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.264 574 G C -0.071 174.737 174.900 -0.153 0.000 0.985 574 G CA -0.258 44.876 45.100 0.056 0.000 0.625 574 G HN 0.447 nan 8.290 nan 0.000 0.536 575 F N 0.790 120.760 119.950 0.033 0.000 2.427 575 F HA 0.581 5.108 4.527 -0.000 0.000 0.346 575 F C 1.423 177.208 175.800 -0.026 0.000 1.120 575 F CA -1.057 56.950 58.000 0.012 0.000 1.033 575 F CB 1.613 40.613 39.000 0.001 0.000 1.126 575 F HN -0.248 nan 8.300 nan 0.000 0.462 576 K N 1.616 122.117 120.400 0.168 0.000 2.217 576 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 576 K C 0.710 177.515 176.600 0.340 0.000 1.051 576 K CA 0.948 57.368 56.287 0.223 0.000 0.952 576 K CB -0.068 32.578 32.500 0.244 0.000 0.736 576 K HN 0.652 nan 8.250 nan 0.000 0.453 577 N N -0.063 118.799 118.700 0.270 0.000 2.307 577 N HA 0.045 4.785 4.740 -0.000 0.000 0.248 577 N C -0.713 174.900 175.510 0.172 0.000 1.322 577 N CA -0.342 52.908 53.050 0.333 0.000 0.861 577 N CB -0.051 38.686 38.487 0.417 0.000 1.303 577 N HN -0.050 nan 8.380 nan 0.000 0.498 578 L N 0.765 121.875 121.223 -0.187 0.000 2.356 578 L HA 0.705 5.045 4.340 -0.000 0.000 0.277 578 L C -1.786 174.699 176.870 -0.642 0.000 0.996 578 L CA -0.595 54.102 54.840 -0.238 0.000 0.822 578 L CB 0.957 42.856 42.059 -0.266 0.000 1.256 578 L HN -0.034 nan 8.230 nan 0.000 0.413 579 F N 4.805 124.669 119.950 -0.142 0.000 2.563 579 F HA 0.679 5.206 4.527 -0.000 0.000 0.316 579 F C -0.609 175.037 175.800 -0.256 0.000 1.076 579 F CA -0.725 57.170 58.000 -0.175 0.000 0.921 579 F CB 1.820 40.746 39.000 -0.123 0.000 1.209 579 F HN 0.171 nan 8.300 nan 0.000 0.462 580 L N 1.713 122.887 121.223 -0.081 0.000 2.365 580 L HA 0.900 5.240 4.340 -0.000 0.000 0.273 580 L C 0.011 176.878 176.870 -0.005 0.000 1.000 580 L CA -0.753 53.971 54.840 -0.192 0.000 0.819 580 L CB 1.956 43.735 42.059 -0.467 0.000 1.284 580 L HN 0.797 nan 8.230 nan 0.000 0.418 581 G N 0.284 109.100 108.800 0.028 0.000 2.574 581 G HA2 0.815 4.775 3.960 -0.000 0.000 0.299 581 G HA3 0.815 4.775 3.960 -0.000 0.000 0.299 581 G C -0.556 174.459 174.900 0.192 0.000 1.298 581 G CA -0.318 44.891 45.100 0.181 0.000 0.952 581 G HN 0.969 nan 8.290 nan 0.000 0.477 582 G N -1.608 107.291 108.800 0.165 0.000 2.353 582 G HA2 0.052 4.012 3.960 -0.000 0.000 0.615 582 G HA3 0.052 4.012 3.960 -0.000 0.000 0.615 582 G C 0.782 175.719 174.900 0.060 0.000 1.280 582 G CA 0.069 45.239 45.100 0.117 0.000 1.000 582 G HN 1.235 nan 8.290 nan 0.000 0.516 583 C N 0.714 120.029 119.300 0.024 0.000 2.419 583 C HA 0.206 4.666 4.460 -0.000 0.000 0.283 583 C C 3.061 178.015 174.990 -0.061 0.000 1.373 583 C CA 1.795 60.809 59.018 -0.007 0.000 1.781 583 C CB -1.379 26.393 27.740 0.054 0.000 1.886 583 C HN 1.304 nan 8.230 nan 0.000 0.520 584 G N 1.348 110.005 108.800 -0.238 0.000 2.462 584 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 584 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 584 G C 1.416 175.971 174.900 -0.576 0.000 1.121 584 G CA 0.896 45.575 45.100 -0.702 0.000 0.758 584 G HN 0.548 nan 8.290 nan 0.000 0.559 585 N N 0.367 118.928 118.700 -0.232 0.000 2.331 585 N HA 0.012 4.752 4.740 -0.000 0.000 0.180 585 N C 0.928 176.454 175.510 0.027 0.000 1.019 585 N CA 0.168 53.233 53.050 0.026 0.000 0.881 585 N CB -0.051 38.494 38.487 0.097 0.000 0.972 585 N HN 0.315 nan 8.380 nan 0.000 0.435 586 I N 3.008 123.591 120.570 0.022 0.000 2.505 586 I HA 0.022 4.191 4.170 -0.000 0.000 0.287 586 I C -1.285 174.918 176.117 0.143 0.000 1.104 586 I CA -1.003 60.339 61.300 0.070 0.000 1.387 586 I CB 1.094 39.089 38.000 -0.009 0.000 1.404 586 I HN -0.051 nan 8.210 nan 0.000 0.528 587 P HA 0.036 nan 4.420 nan 0.000 0.251 587 P C 0.317 177.704 177.300 0.144 0.000 1.223 587 P CA 0.332 63.497 63.100 0.108 0.000 0.796 587 P CB 0.087 31.814 31.700 0.046 0.000 1.068 588 T N -2.391 112.284 114.554 0.202 0.000 2.912 588 T HA 0.686 5.036 4.350 -0.000 0.000 0.280 588 T C 0.144 174.973 174.700 0.216 0.000 0.989 588 T CA -0.920 61.286 62.100 0.177 0.000 0.995 588 T CB 1.238 70.191 68.868 0.141 0.000 1.077 588 T HN 0.054 nan 8.240 nan 0.000 0.531 589 A N 1.811 124.694 122.820 0.104 0.000 2.347 589 A HA 0.596 4.916 4.320 -0.000 0.000 0.287 589 A C -0.591 176.959 177.584 -0.058 0.000 1.199 589 A CA -0.807 51.238 52.037 0.013 0.000 0.851 589 A CB -0.912 18.119 19.000 0.053 0.000 1.118 589 A HN 0.897 nan 8.150 nan 0.000 0.525 590 Y N -0.276 119.957 120.300 -0.112 0.000 2.512 590 Y HA 0.703 5.253 4.550 -0.000 0.000 0.348 590 Y C 0.738 176.543 175.900 -0.157 0.000 0.990 590 Y CA -0.639 57.224 58.100 -0.395 0.000 1.033 590 Y CB 1.401 39.430 38.460 -0.717 0.000 1.259 590 Y HN 0.405 nan 8.280 nan 0.000 0.461 591 G N 0.831 109.585 108.800 -0.077 0.000 2.608 591 G HA2 0.358 4.318 3.960 -0.000 0.000 0.210 591 G HA3 0.358 4.318 3.960 -0.000 0.000 0.210 591 G C 0.469 175.484 174.900 0.192 0.000 1.139 591 G CA 0.202 45.440 45.100 0.230 0.000 0.812 591 G HN 0.952 nan 8.290 nan 0.000 0.529 592 A N 0.637 123.397 122.820 -0.100 0.000 2.346 592 A HA 0.478 4.797 4.320 -0.000 0.000 0.252 592 A C -0.113 177.408 177.584 -0.105 0.000 1.089 592 A CA -0.498 51.367 52.037 -0.287 0.000 0.797 592 A CB 0.060 18.877 19.000 -0.305 0.000 1.047 592 A HN 0.364 nan 8.150 nan 0.000 0.494 593 N N 1.898 120.391 118.700 -0.344 0.000 2.468 593 N HA 0.246 4.985 4.740 -0.000 0.000 0.265 593 N C -1.990 173.395 175.510 -0.208 0.000 1.199 593 N CA -0.823 51.987 53.050 -0.399 0.000 0.928 593 N CB 0.608 38.929 38.487 -0.276 0.000 1.059 593 N HN 0.427 nan 8.380 nan 0.000 0.467 594 P HA 0.001 nan 4.420 nan 0.000 0.245 594 P C 0.463 177.626 177.300 -0.227 0.000 1.203 594 P CA 0.604 63.559 63.100 -0.241 0.000 0.792 594 P CB 0.323 31.846 31.700 -0.295 0.000 0.997 595 T N 0.910 115.405 114.554 -0.099 0.000 2.759 595 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 595 T C 1.741 176.504 174.700 0.104 0.000 1.042 595 T CA 1.003 63.114 62.100 0.018 0.000 1.140 595 T CB -0.753 68.156 68.868 0.068 0.000 0.864 595 T HN 0.030 nan 8.240 nan 0.000 0.455 596 L N 0.966 122.260 121.223 0.118 0.000 2.093 596 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 596 L C 2.518 179.457 176.870 0.115 0.000 1.085 596 L CA 1.635 56.603 54.840 0.213 0.000 0.755 596 L CB -0.969 41.205 42.059 0.191 0.000 0.904 596 L HN 0.166 nan 8.230 nan 0.000 0.435 597 T N -0.390 114.101 114.554 -0.104 0.000 2.746 597 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 597 T C 1.901 176.519 174.700 -0.136 0.000 1.039 597 T CA 1.279 63.232 62.100 -0.244 0.000 1.142 597 T CB -0.457 67.879 68.868 -0.887 0.000 0.866 597 T HN 0.506 nan 8.240 nan 0.000 0.444 598 A N 1.481 124.221 122.820 -0.133 0.000 1.902 598 A HA -0.045 4.274 4.320 -0.000 0.000 0.217 598 A C 2.314 179.871 177.584 -0.046 0.000 1.181 598 A CA 1.802 53.802 52.037 -0.063 0.000 0.623 598 A CB -0.727 18.250 19.000 -0.038 0.000 0.818 598 A HN 0.539 nan 8.150 nan 0.000 0.443 599 M N -0.186 119.396 119.600 -0.030 0.000 2.117 599 M HA -0.150 4.329 4.480 -0.000 0.000 0.262 599 M C 2.096 178.325 176.300 -0.118 0.000 1.065 599 M CA 2.192 57.453 55.300 -0.064 0.000 1.114 599 M CB -0.175 32.400 32.600 -0.042 0.000 1.361 599 M HN 0.358 nan 8.290 nan 0.000 0.408 600 S N 1.176 116.808 115.700 -0.113 0.000 2.370 600 S HA -0.128 4.342 4.470 -0.000 0.000 0.226 600 S C 1.766 176.201 174.600 -0.275 0.000 1.033 600 S CA 1.500 59.573 58.200 -0.211 0.000 1.011 600 S CB -0.587 62.443 63.200 -0.283 0.000 0.852 600 S HN 0.533 nan 8.310 nan 0.000 0.457 601 L N 1.074 122.169 121.223 -0.214 0.000 2.131 601 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 601 L C 2.752 179.505 176.870 -0.195 0.000 1.092 601 L CA 1.106 55.818 54.840 -0.212 0.000 0.759 601 L CB -0.688 41.311 42.059 -0.100 0.000 0.903 601 L HN 0.333 nan 8.230 nan 0.000 0.435 602 A N 0.358 123.056 122.820 -0.203 0.000 1.930 602 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 602 A C 2.206 179.484 177.584 -0.510 0.000 1.175 602 A CA 1.306 53.111 52.037 -0.387 0.000 0.627 602 A CB -0.557 18.215 19.000 -0.381 0.000 0.815 602 A HN 0.328 nan 8.150 nan 0.000 0.443 603 I N -0.365 120.000 120.570 -0.342 0.000 2.127 603 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 603 I C 2.553 178.518 176.117 -0.253 0.000 1.075 603 I CA 2.038 63.172 61.300 -0.277 0.000 1.334 603 I CB -0.291 37.576 38.000 -0.222 0.000 1.040 603 I HN 0.373 nan 8.210 nan 0.000 0.405 604 K N 0.549 120.798 120.400 -0.252 0.000 2.063 604 K HA -0.249 4.070 4.320 -0.000 0.000 0.208 604 K C 2.370 178.887 176.600 -0.138 0.000 1.048 604 K CA 1.972 58.137 56.287 -0.203 0.000 0.928 604 K CB -0.173 32.174 32.500 -0.255 0.000 0.713 604 K HN 0.159 nan 8.250 nan 0.000 0.442 605 S N 0.033 115.636 115.700 -0.162 0.000 2.359 605 S HA -0.190 4.279 4.470 -0.000 0.000 0.224 605 S C 2.071 176.578 174.600 -0.154 0.000 1.035 605 S CA 1.604 59.747 58.200 -0.096 0.000 1.018 605 S CB -0.507 62.672 63.200 -0.037 0.000 0.876 605 S HN 0.585 nan 8.310 nan 0.000 0.448 606 C N 1.515 120.639 119.300 -0.293 0.000 2.422 606 C HA 0.008 4.468 4.460 -0.000 0.000 0.279 606 C C 2.476 177.386 174.990 -0.133 0.000 1.305 606 C CA 0.632 59.492 59.018 -0.264 0.000 1.757 606 C CB -1.526 26.019 27.740 -0.325 0.000 1.962 606 C HN 0.681 nan 8.230 nan 0.000 0.499 607 E N -0.356 119.788 120.200 -0.093 0.000 2.051 607 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 607 E C 1.859 178.470 176.600 0.018 0.000 0.991 607 E CA 1.538 57.917 56.400 -0.036 0.000 0.799 607 E CB -0.355 29.320 29.700 -0.041 0.000 0.748 607 E HN 0.822 nan 8.360 nan 0.000 0.449 608 Y N 1.319 121.592 120.300 -0.045 0.000 2.165 608 Y HA -0.235 4.315 4.550 -0.000 0.000 0.286 608 Y C 2.000 177.939 175.900 0.064 0.000 1.155 608 Y CA 1.476 59.592 58.100 0.028 0.000 1.164 608 Y CB -0.110 38.404 38.460 0.090 0.000 0.978 608 Y HN -0.052 nan 8.280 nan 0.000 0.513 609 I N 0.367 121.000 120.570 0.105 0.000 2.163 609 I HA -0.354 3.816 4.170 -0.000 0.000 0.243 609 I C 2.276 178.469 176.117 0.127 0.000 1.085 609 I CA 1.794 63.154 61.300 0.100 0.000 1.347 609 I CB -0.397 37.446 38.000 -0.260 0.000 1.044 609 I HN 0.149 nan 8.210 nan 0.000 0.408 610 K N 0.271 120.699 120.400 0.048 0.000 2.211 610 K HA -0.212 4.108 4.320 -0.000 0.000 0.204 610 K C 1.941 178.582 176.600 0.069 0.000 1.047 610 K CA 1.222 57.592 56.287 0.140 0.000 0.935 610 K CB -0.139 32.418 32.500 0.096 0.000 0.728 610 K HN 0.467 nan 8.250 nan 0.000 0.452 611 Q N -0.378 119.395 119.800 -0.046 0.000 2.408 611 Q HA 0.085 4.425 4.340 -0.000 0.000 0.205 611 Q C 0.934 176.804 176.000 -0.217 0.000 0.919 611 Q CA 0.415 56.143 55.803 -0.125 0.000 0.932 611 Q CB 0.509 29.151 28.738 -0.160 0.000 1.058 611 Q HN 0.286 nan 8.270 nan 0.000 0.517 612 N N -0.973 117.564 118.700 -0.271 0.000 2.145 612 N HA 0.150 4.890 4.740 -0.000 0.000 0.219 612 N C -0.961 174.147 175.510 -0.670 0.000 1.266 612 N CA 0.244 52.991 53.050 -0.505 0.000 0.902 612 N CB 1.074 39.088 38.487 -0.789 0.000 1.078 612 N HN -0.003 nan 8.380 nan 0.000 0.513 613 F N 0.631 120.608 119.950 0.045 0.000 2.569 613 F HA 0.341 4.868 4.527 -0.000 0.000 0.312 613 F C 0.096 176.015 175.800 0.199 0.000 1.109 613 F CA -0.634 57.448 58.000 0.137 0.000 0.919 613 F CB 1.868 40.967 39.000 0.165 0.000 1.211 613 F HN -0.373 nan 8.300 nan 0.000 0.446 614 T N 3.997 118.713 114.554 0.269 0.000 2.799 614 T HA 0.455 4.805 4.350 -0.000 0.000 0.286 614 T C -2.494 172.213 174.700 0.013 0.000 0.973 614 T CA -1.367 60.784 62.100 0.084 0.000 1.035 614 T CB 1.193 70.081 68.868 0.032 0.000 0.932 614 T HN 0.142 nan 8.240 nan 0.000 0.469 615 P HA 0.216 nan 4.420 nan 0.000 0.272 615 P C -0.197 177.027 177.300 -0.126 0.000 1.230 615 P CA -0.619 62.253 63.100 -0.379 0.000 0.788 615 P CB 0.341 31.621 31.700 -0.700 0.000 0.949 616 S N 1.656 117.322 115.700 -0.057 0.000 2.585 616 S HA 0.361 4.830 4.470 -0.000 0.000 0.273 616 S C -2.096 172.495 174.600 -0.016 0.000 1.339 616 S CA -1.031 57.158 58.200 -0.018 0.000 1.028 616 S CB -0.548 62.649 63.200 -0.006 0.000 0.906 616 S HN 0.329 nan 8.310 nan 0.000 0.528 617 P HA 0.143 nan 4.420 nan 0.000 0.275 617 P C -0.736 176.647 177.300 0.139 0.000 1.227 617 P CA -0.460 62.672 63.100 0.054 0.000 0.781 617 P CB 0.207 31.932 31.700 0.042 0.000 0.906 618 F N 3.969 123.901 119.950 -0.029 0.000 2.600 618 F HA 0.108 4.635 4.527 -0.000 0.000 0.345 618 F C 1.116 176.907 175.800 -0.015 0.000 1.271 618 F CA -0.602 57.387 58.000 -0.018 0.000 1.138 618 F CB -1.090 37.901 39.000 -0.015 0.000 1.449 618 F HN 0.239 nan 8.300 nan 0.000 0.645 619 T N 0.000 114.772 114.554 0.363 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.203 62.100 0.171 0.000 1.349 619 T CB 0.000 68.936 68.868 0.113 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658