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 2igm_1_D 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 LPGSLPQFME DATA SEQUENCE PGLVLNLGGT 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 0.000 176.278 176.300 -0.036 0.000 1.140 43 M CA 0.000 55.269 55.300 -0.051 0.000 0.988 43 M CB 0.000 32.360 32.600 -0.399 0.000 1.302 44 D N 3.444 123.858 120.400 0.024 0.000 2.358 44 D HA 0.326 4.967 4.640 0.001 0.000 0.244 44 D C 1.072 177.306 176.300 -0.110 0.000 1.163 44 D CA -0.154 53.751 54.000 -0.158 0.000 0.945 44 D CB 0.885 41.403 40.800 -0.469 0.000 1.152 44 D HN 0.610 nan 8.370 nan 0.000 0.451 45 I N -1.819 118.680 120.570 -0.118 0.000 3.228 45 I HA 0.145 4.315 4.170 0.001 0.000 0.279 45 I C 0.646 176.756 176.117 -0.011 0.000 1.221 45 I CA 0.455 61.740 61.300 -0.024 0.000 1.458 45 I CB -0.474 37.528 38.000 0.003 0.000 1.105 45 I HN 0.027 nan 8.210 nan 0.000 0.445 46 K N 0.226 120.519 120.400 -0.179 0.000 2.397 46 K HA 0.574 4.895 4.320 0.001 0.000 0.253 46 K C -1.727 174.631 176.600 -0.403 0.000 0.932 46 K CA -0.564 55.642 56.287 -0.135 0.000 0.795 46 K CB 1.239 33.701 32.500 -0.062 0.000 1.159 46 K HN 0.052 nan 8.250 nan 0.000 0.424 47 Y N 1.041 121.333 120.300 -0.013 0.000 2.633 47 Y HA 0.277 4.827 4.550 0.001 0.000 0.339 47 Y C 0.646 176.521 175.900 -0.042 0.000 1.045 47 Y CA -0.702 57.382 58.100 -0.027 0.000 1.098 47 Y CB 1.747 40.193 38.460 -0.024 0.000 1.296 47 Y HN 0.651 nan 8.280 nan 0.000 0.494 48 D N -0.042 120.441 120.400 0.138 0.000 2.123 48 D HA 0.036 4.677 4.640 0.001 0.000 0.200 48 D C -0.364 175.934 176.300 -0.004 0.000 0.976 48 D CA 1.435 55.499 54.000 0.107 0.000 0.831 48 D CB 0.254 41.185 40.800 0.218 0.000 0.974 48 D HN 0.109 nan 8.370 nan 0.000 0.469 49 V N 0.924 120.827 119.914 -0.018 0.000 2.760 49 V HA 0.390 4.510 4.120 0.001 0.000 0.309 49 V C -0.383 175.621 176.094 -0.149 0.000 1.077 49 V CA -1.086 61.111 62.300 -0.172 0.000 0.910 49 V CB 2.507 34.205 31.823 -0.208 0.000 1.008 49 V HN -0.026 nan 8.190 nan 0.000 0.424 50 V N 2.724 122.509 119.914 -0.215 0.000 2.495 50 V HA 0.748 4.869 4.120 0.001 0.000 0.298 50 V C -0.627 175.425 176.094 -0.069 0.000 1.031 50 V CA -0.595 61.649 62.300 -0.093 0.000 0.871 50 V CB 1.657 33.493 31.823 0.023 0.000 0.988 50 V HN 0.690 nan 8.190 nan 0.000 0.432 51 I N 4.284 124.839 120.570 -0.025 0.000 2.406 51 I HA 0.497 4.667 4.170 0.001 0.000 0.290 51 I C -0.582 175.568 176.117 0.055 0.000 0.999 51 I CA -0.957 60.308 61.300 -0.059 0.000 1.124 51 I CB 2.242 40.187 38.000 -0.092 0.000 1.289 51 I HN 0.429 nan 8.210 nan 0.000 0.441 52 V N 5.439 125.365 119.914 0.020 0.000 2.333 52 V HA 0.781 4.901 4.120 0.001 0.000 0.274 52 V C 0.455 176.556 176.094 0.013 0.000 1.028 52 V CA -0.286 62.046 62.300 0.054 0.000 0.851 52 V CB 0.537 32.362 31.823 0.004 0.000 1.000 52 V HN 1.071 nan 8.190 nan 0.000 0.456 53 G N 3.975 112.799 108.800 0.040 0.000 2.906 53 G HA2 -0.033 3.928 3.960 0.001 0.000 0.686 53 G HA3 -0.033 3.928 3.960 0.001 0.000 0.686 53 G C -0.003 174.913 174.900 0.026 0.000 1.170 53 G CA -0.246 44.869 45.100 0.024 0.000 0.775 53 G HN 1.248 nan 8.290 nan 0.000 0.630 54 S N 0.997 116.716 115.700 0.031 0.000 2.574 54 S HA 0.588 5.059 4.470 0.001 0.000 0.242 54 S C 1.378 175.990 174.600 0.020 0.000 0.982 54 S CA 0.738 58.964 58.200 0.042 0.000 0.977 54 S CB 0.656 63.893 63.200 0.061 0.000 0.814 54 S HN 1.927 nan 8.310 nan 0.000 0.464 55 G N 2.825 111.626 108.800 0.000 0.000 2.631 55 G HA2 0.352 4.313 3.960 0.001 0.000 0.271 55 G HA3 0.352 4.313 3.960 0.001 0.000 0.271 55 G C -1.122 173.754 174.900 -0.040 0.000 1.302 55 G CA -1.121 43.959 45.100 -0.033 0.000 1.002 55 G HN 0.247 nan 8.290 nan 0.000 0.519 56 P HA -0.059 nan 4.420 nan 0.000 0.220 56 P C 1.678 178.925 177.300 -0.088 0.000 1.148 56 P CA 0.755 63.804 63.100 -0.085 0.000 0.803 56 P CB 0.187 31.849 31.700 -0.063 0.000 0.782 57 I N -0.012 120.540 120.570 -0.031 0.000 2.400 57 I HA -0.008 4.163 4.170 0.001 0.000 0.248 57 I C 2.697 178.874 176.117 0.099 0.000 1.109 57 I CA 1.400 62.717 61.300 0.027 0.000 1.425 57 I CB -2.266 35.775 38.000 0.069 0.000 1.094 57 I HN -0.009 nan 8.210 nan 0.000 0.425 58 G N 0.509 109.340 108.800 0.052 0.000 2.469 58 G HA2 -0.255 3.706 3.960 0.001 0.000 0.219 58 G HA3 -0.255 3.706 3.960 0.001 0.000 0.219 58 G C 1.757 176.651 174.900 -0.010 0.000 1.150 58 G CA 1.133 46.250 45.100 0.029 0.000 0.763 58 G HN 0.413 nan 8.290 nan 0.000 0.561 59 C N 0.592 119.865 119.300 -0.046 0.000 2.432 59 C HA 0.042 4.502 4.460 0.001 0.000 0.280 59 C C 3.183 178.042 174.990 -0.218 0.000 1.353 59 C CA 1.324 60.271 59.018 -0.119 0.000 1.766 59 C CB -0.981 26.743 27.740 -0.026 0.000 1.924 59 C HN 0.455 nan 8.230 nan 0.000 0.509 60 T N 0.042 114.497 114.554 -0.164 0.000 2.708 60 T HA -0.164 4.187 4.350 0.001 0.000 0.266 60 T C 1.466 176.017 174.700 -0.247 0.000 1.037 60 T CA 1.630 63.605 62.100 -0.208 0.000 1.146 60 T CB -0.408 68.361 68.868 -0.165 0.000 0.865 60 T HN 0.568 nan 8.240 nan 0.000 0.435 61 Y N 1.437 121.594 120.300 -0.238 0.000 2.181 61 Y HA -0.023 4.528 4.550 0.001 0.000 0.288 61 Y C 2.737 178.415 175.900 -0.368 0.000 1.146 61 Y CA 0.850 58.790 58.100 -0.267 0.000 1.164 61 Y CB -0.625 37.698 38.460 -0.227 0.000 0.982 61 Y HN 0.196 nan 8.280 nan 0.000 0.515 62 A N 0.208 122.829 122.820 -0.332 0.000 1.858 62 A HA -0.225 4.095 4.320 0.001 0.000 0.216 62 A C 2.302 179.299 177.584 -0.978 0.000 1.190 62 A CA 1.810 53.401 52.037 -0.743 0.000 0.617 62 A CB -0.747 17.558 19.000 -1.159 0.000 0.827 62 A HN 0.395 nan 8.150 nan 0.000 0.443 63 R N -0.430 119.546 120.500 -0.873 0.000 2.080 63 R HA -0.173 4.167 4.340 0.001 0.000 0.236 63 R C 2.127 178.214 176.300 -0.354 0.000 1.137 63 R CA 1.833 57.589 56.100 -0.573 0.000 0.943 63 R CB -0.323 29.674 30.300 -0.506 0.000 0.846 63 R HN 0.587 nan 8.270 nan 0.000 0.431 64 E N 0.455 120.477 120.200 -0.296 0.000 2.038 64 E HA -0.210 4.141 4.350 0.001 0.000 0.195 64 E C 2.139 178.662 176.600 -0.129 0.000 1.000 64 E CA 1.413 57.712 56.400 -0.168 0.000 0.803 64 E CB -0.172 29.422 29.700 -0.177 0.000 0.750 64 E HN 0.421 nan 8.360 nan 0.000 0.448 65 L N 0.318 121.432 121.223 -0.181 0.000 2.209 65 L HA -0.056 4.285 4.340 0.001 0.000 0.207 65 L C 2.518 179.408 176.870 0.032 0.000 1.094 65 L CA 0.220 54.989 54.840 -0.119 0.000 0.790 65 L CB -0.164 41.714 42.059 -0.301 0.000 0.932 65 L HN -0.051 nan 8.230 nan 0.000 0.447 66 V N 0.400 120.251 119.914 -0.104 0.000 2.427 66 V HA -0.161 3.960 4.120 0.001 0.000 0.248 66 V C 2.578 178.690 176.094 0.029 0.000 1.051 66 V CA 1.957 64.240 62.300 -0.028 0.000 1.048 66 V CB -1.073 30.671 31.823 -0.131 0.000 0.666 66 V HN 0.552 nan 8.190 nan 0.000 0.456 67 G N -0.485 108.311 108.800 -0.007 0.000 2.443 67 G HA2 -0.086 3.875 3.960 0.001 0.000 0.219 67 G HA3 -0.086 3.875 3.960 0.001 0.000 0.219 67 G C 1.523 176.452 174.900 0.048 0.000 1.131 67 G CA 0.788 45.901 45.100 0.022 0.000 0.775 67 G HN 0.608 nan 8.290 nan 0.000 0.547 68 A N -0.448 122.426 122.820 0.089 0.000 2.238 68 A HA 0.475 4.796 4.320 0.001 0.000 0.208 68 A C 1.919 179.534 177.584 0.052 0.000 1.177 68 A CA 1.292 53.402 52.037 0.122 0.000 0.804 68 A CB -0.329 18.830 19.000 0.266 0.000 0.823 68 A HN 1.531 nan 8.150 nan 0.000 0.482 69 G N -2.397 106.437 108.800 0.057 0.000 2.144 69 G HA2 -0.244 3.716 3.960 0.001 0.000 0.218 69 G HA3 -0.244 3.716 3.960 0.001 0.000 0.218 69 G C -0.107 174.738 174.900 -0.092 0.000 0.988 69 G CA 0.041 45.125 45.100 -0.027 0.000 0.659 69 G HN 0.376 nan 8.290 nan 0.000 0.522 70 Y N 0.350 120.632 120.300 -0.029 0.000 2.336 70 Y HA 0.454 5.005 4.550 0.001 0.000 0.331 70 Y C 1.091 176.966 175.900 -0.042 0.000 1.211 70 Y CA -0.108 57.971 58.100 -0.034 0.000 1.346 70 Y CB 0.802 39.239 38.460 -0.039 0.000 1.271 70 Y HN 0.081 nan 8.280 nan 0.000 0.538 71 K N 2.822 123.284 120.400 0.105 0.000 2.262 71 K HA 0.391 4.712 4.320 0.001 0.000 0.288 71 K C -1.546 175.158 176.600 0.173 0.000 1.090 71 K CA -0.127 56.203 56.287 0.072 0.000 0.918 71 K CB -0.052 32.450 32.500 0.003 0.000 1.139 71 K HN 0.492 nan 8.250 nan 0.000 0.462 72 V N 3.364 123.365 119.914 0.145 0.000 2.435 72 V HA 0.547 4.668 4.120 0.001 0.000 0.290 72 V C -0.155 175.857 176.094 -0.136 0.000 1.030 72 V CA -0.866 61.474 62.300 0.066 0.000 0.881 72 V CB 1.383 33.281 31.823 0.124 0.000 0.983 72 V HN 0.872 nan 8.190 nan 0.000 0.445 73 A N 5.898 128.473 122.820 -0.409 0.000 2.337 73 A HA 0.928 5.249 4.320 0.001 0.000 0.329 73 A C -0.611 176.638 177.584 -0.558 0.000 1.146 73 A CA -0.622 50.947 52.037 -0.781 0.000 0.800 73 A CB 1.482 19.657 19.000 -1.374 0.000 1.220 73 A HN 0.890 nan 8.150 nan 0.000 0.472 74 M N 2.232 121.408 119.600 -0.707 0.000 2.395 74 M HA 0.728 5.208 4.480 0.001 0.000 0.307 74 M C -2.170 173.794 176.300 -0.561 0.000 1.091 74 M CA -0.430 54.639 55.300 -0.385 0.000 0.919 74 M CB 1.258 33.816 32.600 -0.070 0.000 1.662 74 M HN 0.608 nan 8.290 nan 0.000 0.440 75 F N 2.194 122.138 119.950 -0.011 0.000 2.495 75 F HA 0.548 5.076 4.527 0.001 0.000 0.327 75 F C -0.170 175.629 175.800 -0.001 0.000 1.103 75 F CA -0.543 57.471 58.000 0.022 0.000 0.949 75 F CB 1.511 40.507 39.000 -0.006 0.000 1.142 75 F HN 0.443 nan 8.300 nan 0.000 0.457 76 D N 2.852 123.343 120.400 0.152 0.000 2.780 76 D HA 0.246 4.887 4.640 0.001 0.000 0.242 76 D C 0.586 176.914 176.300 0.046 0.000 1.135 76 D CA -0.328 53.716 54.000 0.072 0.000 0.859 76 D CB 2.511 43.335 40.800 0.041 0.000 1.530 76 D HN 0.643 nan 8.370 nan 0.000 0.493 77 I N 1.967 122.519 120.570 -0.030 0.000 2.493 77 I HA -0.007 4.164 4.170 0.001 0.000 0.254 77 I C 1.170 177.252 176.117 -0.059 0.000 1.160 77 I CA 0.837 62.075 61.300 -0.104 0.000 1.445 77 I CB 0.184 38.002 38.000 -0.303 0.000 1.086 77 I HN 0.331 nan 8.210 nan 0.000 0.433 78 G N -0.123 108.661 108.800 -0.027 0.000 2.532 78 G HA2 0.400 4.361 3.960 0.001 0.000 0.291 78 G HA3 0.400 4.361 3.960 0.001 0.000 0.291 78 G C -0.855 174.065 174.900 0.033 0.000 1.349 78 G CA -0.409 44.699 45.100 0.014 0.000 1.038 78 G HN 0.305 nan 8.290 nan 0.000 0.518 79 E N -1.464 118.760 120.200 0.041 0.000 2.359 79 E HA 0.376 4.727 4.350 0.001 0.000 0.266 79 E C -0.604 176.021 176.600 0.041 0.000 0.920 79 E CA -0.765 55.660 56.400 0.041 0.000 0.788 79 E CB 2.598 32.325 29.700 0.045 0.000 1.279 79 E HN 0.264 nan 8.360 nan 0.000 0.438 80 I N 2.517 123.108 120.570 0.035 0.000 2.517 80 I HA 0.028 4.199 4.170 0.001 0.000 0.285 80 I C -0.244 175.901 176.117 0.046 0.000 1.106 80 I CA 0.589 61.912 61.300 0.037 0.000 1.402 80 I CB 0.146 38.161 38.000 0.025 0.000 1.399 80 I HN 0.540 nan 8.210 nan 0.000 0.535 81 D N 2.667 123.101 120.400 0.058 0.000 3.629 81 D HA 0.025 4.666 4.640 0.001 0.000 0.306 81 D C -0.146 176.209 176.300 0.092 0.000 1.431 81 D CA -0.323 53.719 54.000 0.070 0.000 0.748 81 D CB -0.141 40.699 40.800 0.067 0.000 1.315 81 D HN 0.219 nan 8.370 nan 0.000 0.667 82 S N -0.241 115.515 115.700 0.094 0.000 2.663 82 S HA 0.634 5.105 4.470 0.001 0.000 0.243 82 S C 0.929 175.600 174.600 0.119 0.000 1.009 82 S CA 0.092 58.366 58.200 0.123 0.000 0.988 82 S CB 0.798 64.071 63.200 0.122 0.000 0.896 82 S HN 0.907 nan 8.310 nan 0.000 0.502 83 G N 1.456 110.312 108.800 0.094 0.000 2.615 83 G HA2 -0.215 3.746 3.960 0.001 0.000 0.218 83 G HA3 -0.215 3.746 3.960 0.001 0.000 0.218 83 G C 0.309 175.243 174.900 0.058 0.000 1.339 83 G CA -0.293 44.855 45.100 0.080 0.000 0.884 83 G HN 0.271 nan 8.290 nan 0.000 0.559 84 L N 0.259 121.511 121.223 0.048 0.000 2.275 84 L HA 0.096 4.437 4.340 0.001 0.000 0.215 84 L C 1.523 178.406 176.870 0.022 0.000 1.119 84 L CA 1.107 55.964 54.840 0.029 0.000 0.790 84 L CB -0.346 41.726 42.059 0.021 0.000 0.919 84 L HN 0.311 nan 8.230 nan 0.000 0.443 85 K N 1.723 122.146 120.400 0.039 0.000 2.250 85 K HA 0.339 4.659 4.320 0.001 0.000 0.280 85 K C -0.332 176.291 176.600 0.039 0.000 1.098 85 K CA -0.244 56.062 56.287 0.031 0.000 0.916 85 K CB 0.875 33.407 32.500 0.054 0.000 1.209 85 K HN 0.088 nan 8.250 nan 0.000 0.461 86 I N 1.889 122.466 120.570 0.012 0.000 2.598 86 I HA -0.060 4.111 4.170 0.001 0.000 0.284 86 I C 1.354 177.490 176.117 0.031 0.000 1.140 86 I CA 0.736 62.048 61.300 0.019 0.000 1.420 86 I CB 0.388 38.388 38.000 -0.000 0.000 1.387 86 I HN 0.949 nan 8.210 nan 0.000 0.553 87 G N 4.291 113.121 108.800 0.051 0.000 2.153 87 G HA2 -0.214 3.747 3.960 0.001 0.000 0.252 87 G HA3 -0.214 3.747 3.960 0.001 0.000 0.252 87 G C 0.317 175.268 174.900 0.084 0.000 0.994 87 G CA 0.128 45.263 45.100 0.057 0.000 0.698 87 G HN 0.962 nan 8.290 nan 0.000 0.521 88 A N -0.535 122.352 122.820 0.111 0.000 2.246 88 A HA 0.647 4.968 4.320 0.001 0.000 0.291 88 A C 0.535 178.249 177.584 0.216 0.000 1.103 88 A CA -0.339 51.801 52.037 0.171 0.000 0.844 88 A CB 0.328 19.430 19.000 0.170 0.000 1.136 88 A HN 0.603 nan 8.150 nan 0.000 0.500 89 H N 0.326 119.529 119.070 0.222 0.000 2.848 89 H HA 0.127 4.684 4.556 0.001 0.000 0.317 89 H C 0.642 176.102 175.328 0.219 0.000 1.046 89 H CA 0.651 56.848 56.048 0.247 0.000 1.470 89 H CB 0.859 30.790 29.762 0.281 0.000 1.483 89 H HN 0.657 nan 8.280 nan 0.000 0.548 90 K N 3.259 123.876 120.400 0.361 0.000 2.439 90 K HA -0.088 4.233 4.320 0.001 0.000 0.197 90 K C 1.557 178.407 176.600 0.416 0.000 1.041 90 K CA 0.827 57.371 56.287 0.427 0.000 0.970 90 K CB 0.301 33.075 32.500 0.457 0.000 0.773 90 K HN 0.539 nan 8.250 nan 0.000 0.479 91 K N -0.108 120.402 120.400 0.183 0.000 2.458 91 K HA 0.073 4.393 4.320 0.001 0.000 0.194 91 K C 0.307 176.921 176.600 0.023 0.000 1.024 91 K CA 0.291 56.400 56.287 -0.296 0.000 1.108 91 K CB 0.252 31.982 32.500 -1.284 0.000 0.846 91 K HN -0.118 nan 8.250 nan 0.000 0.518 92 N N 2.503 121.320 118.700 0.195 0.000 2.410 92 N HA -0.015 4.726 4.740 0.001 0.000 0.231 92 N C -0.563 175.169 175.510 0.370 0.000 1.172 92 N CA 0.390 53.576 53.050 0.226 0.000 0.849 92 N CB 0.631 39.308 38.487 0.317 0.000 1.116 92 N HN 0.443 nan 8.380 nan 0.000 0.485 93 T N -3.967 110.783 114.554 0.327 0.000 2.902 93 T HA 0.312 4.663 4.350 0.001 0.000 0.283 93 T C 1.607 176.494 174.700 0.312 0.000 1.009 93 T CA -0.775 61.511 62.100 0.310 0.000 1.051 93 T CB 1.727 70.737 68.868 0.237 0.000 0.999 93 T HN -0.188 nan 8.240 nan 0.000 0.474 94 V N 1.391 121.487 119.914 0.303 0.000 2.392 94 V HA -0.130 3.991 4.120 0.001 0.000 0.249 94 V C 2.811 178.987 176.094 0.137 0.000 1.059 94 V CA 2.330 64.794 62.300 0.274 0.000 1.051 94 V CB -1.033 30.888 31.823 0.163 0.000 0.658 94 V HN 1.023 nan 8.190 nan 0.000 0.455 95 E N -0.223 120.003 120.200 0.044 0.000 2.051 95 E HA -0.204 4.147 4.350 0.001 0.000 0.192 95 E C 2.000 178.551 176.600 -0.082 0.000 0.991 95 E CA 1.678 58.036 56.400 -0.070 0.000 0.799 95 E CB -0.361 29.229 29.700 -0.184 0.000 0.748 95 E HN 0.674 nan 8.360 nan 0.000 0.449 96 Y N 0.747 121.115 120.300 0.114 0.000 2.373 96 Y HA -0.027 4.524 4.550 0.001 0.000 0.293 96 Y C 2.194 178.112 175.900 0.031 0.000 1.129 96 Y CA 1.036 59.194 58.100 0.097 0.000 1.226 96 Y CB -0.119 38.414 38.460 0.121 0.000 1.000 96 Y HN 0.137 nan 8.280 nan 0.000 0.549 97 Q N 0.162 120.039 119.800 0.128 0.000 2.297 97 Q HA -0.120 4.220 4.340 0.001 0.000 0.204 97 Q C 1.529 177.576 176.000 0.078 0.000 0.962 97 Q CA 1.063 56.885 55.803 0.032 0.000 0.879 97 Q CB -0.072 28.604 28.738 -0.105 0.000 0.947 97 Q HN 0.501 nan 8.270 nan 0.000 0.462 98 K N 0.168 120.624 120.400 0.092 0.000 2.352 98 K HA 0.097 4.417 4.320 0.001 0.000 0.194 98 K C 0.367 177.014 176.600 0.079 0.000 1.038 98 K CA 0.183 56.515 56.287 0.075 0.000 1.023 98 K CB 0.582 33.117 32.500 0.059 0.000 0.840 98 K HN 0.071 nan 8.250 nan 0.000 0.519 99 N N 1.318 120.087 118.700 0.115 0.000 2.703 99 N HA 0.032 4.773 4.740 0.001 0.000 0.283 99 N C 0.191 175.841 175.510 0.234 0.000 1.851 99 N CA 0.028 53.164 53.050 0.143 0.000 0.826 99 N CB 1.050 39.605 38.487 0.114 0.000 1.239 99 N HN 0.002 nan 8.380 nan 0.000 0.495 100 I N 1.177 121.861 120.570 0.189 0.000 2.226 100 I HA -0.200 3.971 4.170 0.001 0.000 0.245 100 I C 1.020 177.265 176.117 0.214 0.000 1.100 100 I CA 1.758 63.170 61.300 0.188 0.000 1.374 100 I CB -0.073 38.000 38.000 0.121 0.000 1.057 100 I HN 0.135 nan 8.210 nan 0.000 0.413 101 D N 0.881 121.404 120.400 0.205 0.000 2.263 101 D HA -0.154 4.487 4.640 0.001 0.000 0.208 101 D C 2.018 178.418 176.300 0.166 0.000 0.971 101 D CA 0.634 54.754 54.000 0.199 0.000 0.867 101 D CB -0.110 40.837 40.800 0.244 0.000 0.929 101 D HN 0.293 nan 8.370 nan 0.000 0.492 102 K N 0.037 120.569 120.400 0.221 0.000 2.283 102 K HA -0.084 4.237 4.320 0.001 0.000 0.202 102 K C 1.744 178.444 176.600 0.166 0.000 1.048 102 K CA 0.030 56.452 56.287 0.225 0.000 0.948 102 K CB -0.455 32.240 32.500 0.325 0.000 0.742 102 K HN 0.224 nan 8.250 nan 0.000 0.458 103 F N 1.606 121.530 119.950 -0.043 0.000 2.333 103 F HA -0.186 4.342 4.527 0.001 0.000 0.300 103 F C 1.754 177.439 175.800 -0.191 0.000 1.083 103 F CA 0.637 58.453 58.000 -0.306 0.000 1.395 103 F CB -0.072 38.723 39.000 -0.342 0.000 1.056 103 F HN -0.268 nan 8.300 nan 0.000 0.529 104 V N -0.009 119.817 119.914 -0.146 0.000 2.469 104 V HA -0.350 3.771 4.120 0.001 0.000 0.251 104 V C 1.799 177.709 176.094 -0.306 0.000 1.064 104 V CA 2.284 64.448 62.300 -0.226 0.000 1.066 104 V CB -1.255 30.450 31.823 -0.197 0.000 0.667 104 V HN 0.363 nan 8.190 nan 0.000 0.461 105 N N 0.409 118.954 118.700 -0.258 0.000 2.188 105 N HA -0.112 4.629 4.740 0.001 0.000 0.184 105 N C 1.678 177.004 175.510 -0.307 0.000 1.018 105 N CA 1.300 54.219 53.050 -0.218 0.000 0.858 105 N CB -0.323 38.102 38.487 -0.104 0.000 0.989 105 N HN 0.366 nan 8.380 nan 0.000 0.426 106 V N 1.285 120.888 119.914 -0.518 0.000 2.295 106 V HA -0.203 3.918 4.120 0.001 0.000 0.246 106 V C 2.051 177.798 176.094 -0.579 0.000 1.049 106 V CA 1.403 63.343 62.300 -0.600 0.000 1.024 106 V CB -0.571 30.642 31.823 -1.017 0.000 0.648 106 V HN 0.289 nan 8.190 nan 0.000 0.447 107 I N -0.092 120.038 120.570 -0.734 0.000 2.127 107 I HA -0.358 3.813 4.170 0.001 0.000 0.241 107 I C 2.757 178.614 176.117 -0.434 0.000 1.075 107 I CA 1.906 62.831 61.300 -0.625 0.000 1.334 107 I CB -0.512 37.188 38.000 -0.501 0.000 1.040 107 I HN 0.341 nan 8.210 nan 0.000 0.405 108 Q N 0.424 120.031 119.800 -0.322 0.000 2.135 108 Q HA -0.166 4.175 4.340 0.001 0.000 0.204 108 Q C 2.294 178.193 176.000 -0.169 0.000 0.981 108 Q CA 1.593 57.266 55.803 -0.217 0.000 0.856 108 Q CB -0.477 28.150 28.738 -0.185 0.000 0.902 108 Q HN 0.672 nan 8.270 nan 0.000 0.425 109 G N 1.053 109.749 108.800 -0.174 0.000 2.509 109 G HA2 -0.224 3.737 3.960 0.001 0.000 0.218 109 G HA3 -0.224 3.737 3.960 0.001 0.000 0.218 109 G C 0.958 175.809 174.900 -0.082 0.000 1.124 109 G CA 0.666 45.700 45.100 -0.111 0.000 0.776 109 G HN 0.486 nan 8.290 nan 0.000 0.547 110 Q N -0.685 119.048 119.800 -0.111 0.000 2.135 110 Q HA 0.430 4.771 4.340 0.001 0.000 0.231 110 Q C -0.277 175.707 176.000 -0.026 0.000 0.817 110 Q CA -0.281 55.497 55.803 -0.042 0.000 1.073 110 Q CB 0.189 28.927 28.738 0.000 0.000 1.176 110 Q HN 0.238 nan 8.270 nan 0.000 0.478 111 L N 2.073 123.257 121.223 -0.065 0.000 2.301 111 L HA 0.505 4.846 4.340 0.001 0.000 0.278 111 L C -0.954 175.914 176.870 -0.002 0.000 1.022 111 L CA -0.818 54.005 54.840 -0.028 0.000 0.854 111 L CB 1.207 43.218 42.059 -0.081 0.000 1.226 111 L HN 0.212 nan 8.230 nan 0.000 0.429 112 M N 2.125 121.749 119.600 0.041 0.000 2.113 112 M HA 0.257 4.738 4.480 0.001 0.000 0.352 112 M C 0.290 176.624 176.300 0.057 0.000 1.170 112 M CA -0.027 55.304 55.300 0.052 0.000 1.053 112 M CB 1.466 34.120 32.600 0.089 0.000 1.601 112 M HN 0.302 nan 8.290 nan 0.000 0.459 113 S N 1.940 117.662 115.700 0.036 0.000 2.552 113 S HA 0.101 4.571 4.470 0.001 0.000 0.289 113 S C 1.509 176.141 174.600 0.053 0.000 1.304 113 S CA -0.640 57.582 58.200 0.036 0.000 1.063 113 S CB 0.580 63.790 63.200 0.016 0.000 0.848 113 S HN 0.582 nan 8.310 nan 0.000 0.499 114 V N 2.373 122.331 119.914 0.073 0.000 2.323 114 V HA -0.004 4.117 4.120 0.001 0.000 0.244 114 V C 1.195 177.294 176.094 0.008 0.000 1.041 114 V CA 1.460 63.796 62.300 0.060 0.000 1.025 114 V CB -0.010 31.892 31.823 0.132 0.000 0.656 114 V HN 0.803 nan 8.190 nan 0.000 0.451 115 S N -0.683 115.044 115.700 0.044 0.000 2.720 115 S HA 0.528 4.999 4.470 0.001 0.000 0.278 115 S C -1.170 173.435 174.600 0.009 0.000 1.172 115 S CA -0.468 57.723 58.200 -0.014 0.000 1.019 115 S CB 1.538 64.701 63.200 -0.062 0.000 1.049 115 S HN -0.004 nan 8.310 nan 0.000 0.483 116 V N 7.743 127.648 119.914 -0.015 0.000 2.357 116 V HA 0.557 4.677 4.120 0.001 0.000 0.284 116 V C -1.977 174.100 176.094 -0.029 0.000 1.018 116 V CA -1.778 60.511 62.300 -0.018 0.000 0.841 116 V CB 1.467 33.279 31.823 -0.019 0.000 0.991 116 V HN 0.703 nan 8.190 nan 0.000 0.437 117 P HA 0.184 nan 4.420 nan 0.000 0.274 117 P C -0.158 177.117 177.300 -0.042 0.000 1.256 117 P CA -0.183 62.898 63.100 -0.032 0.000 0.795 117 P CB 0.858 32.541 31.700 -0.028 0.000 1.038 118 V N 2.033 121.925 119.914 -0.037 0.000 2.599 118 V HA -0.036 4.084 4.120 0.001 0.000 0.300 118 V C 1.250 177.292 176.094 -0.088 0.000 1.034 118 V CA 0.206 62.478 62.300 -0.046 0.000 1.115 118 V CB -0.695 31.123 31.823 -0.009 0.000 0.934 118 V HN 0.606 nan 8.190 nan 0.000 0.485 119 N N 3.613 122.250 118.700 -0.105 0.000 2.458 119 N HA 0.087 4.827 4.740 0.001 0.000 0.270 119 N C 0.629 175.956 175.510 -0.305 0.000 1.102 119 N CA 0.378 53.336 53.050 -0.152 0.000 0.967 119 N CB 1.530 39.956 38.487 -0.102 0.000 1.078 119 N HN 0.873 nan 8.380 nan 0.000 0.471 120 T N 1.290 115.547 114.554 -0.494 0.000 3.228 120 T HA 0.130 4.480 4.350 0.001 0.000 0.278 120 T C 0.494 174.674 174.700 -0.867 0.000 1.014 120 T CA -0.546 60.862 62.100 -1.154 0.000 0.904 120 T CB -0.177 68.187 68.868 -0.839 0.000 1.110 120 T HN 0.240 nan 8.240 nan 0.000 0.541 121 L N 2.807 123.802 121.223 -0.380 0.000 2.426 121 L HA 0.497 4.837 4.340 0.001 0.000 0.271 121 L C -0.301 176.587 176.870 0.030 0.000 1.169 121 L CA -0.634 54.119 54.840 -0.144 0.000 0.836 121 L CB 0.841 42.858 42.059 -0.070 0.000 1.112 121 L HN 0.126 nan 8.230 nan 0.000 0.465 122 V N 6.132 126.100 119.914 0.091 0.000 2.406 122 V HA 0.317 4.437 4.120 0.001 0.000 0.272 122 V C -0.091 176.068 176.094 0.109 0.000 1.043 122 V CA -0.613 61.800 62.300 0.188 0.000 0.915 122 V CB 1.364 33.281 31.823 0.158 0.000 0.988 122 V HN 0.539 nan 8.190 nan 0.000 0.466 123 V N 5.230 125.210 119.914 0.110 0.000 2.334 123 V HA 0.365 4.485 4.120 0.001 0.000 0.281 123 V C 0.163 176.287 176.094 0.049 0.000 1.016 123 V CA -0.430 61.910 62.300 0.066 0.000 0.832 123 V CB 1.420 33.282 31.823 0.065 0.000 0.999 123 V HN 1.066 nan 8.190 nan 0.000 0.439 124 D N 2.059 122.481 120.400 0.036 0.000 2.571 124 D HA 0.016 4.657 4.640 0.001 0.000 0.239 124 D C 1.050 177.358 176.300 0.014 0.000 1.267 124 D CA 0.226 54.238 54.000 0.021 0.000 0.823 124 D CB 0.447 41.259 40.800 0.020 0.000 1.056 124 D HN 0.555 nan 8.370 nan 0.000 0.494 125 T N -1.790 112.775 114.554 0.019 0.000 3.228 125 T HA 0.341 4.691 4.350 0.001 0.000 0.278 125 T C 0.629 175.340 174.700 0.018 0.000 1.014 125 T CA -0.551 61.558 62.100 0.016 0.000 0.904 125 T CB -0.323 68.554 68.868 0.016 0.000 1.110 125 T HN 0.015 nan 8.240 nan 0.000 0.541 126 L N 2.023 123.258 121.223 0.020 0.000 2.467 126 L HA 0.323 4.663 4.340 0.001 0.000 0.270 126 L C 1.158 178.039 176.870 0.017 0.000 1.205 126 L CA -0.539 54.316 54.840 0.024 0.000 0.828 126 L CB 0.438 42.515 42.059 0.030 0.000 1.101 126 L HN 0.270 nan 8.230 nan 0.000 0.479 127 S N 1.985 117.698 115.700 0.022 0.000 2.563 127 S HA 0.087 4.557 4.470 0.001 0.000 0.284 127 S C -1.421 173.186 174.600 0.012 0.000 1.331 127 S CA -0.985 57.225 58.200 0.017 0.000 1.047 127 S CB 0.799 64.012 63.200 0.022 0.000 0.859 127 S HN 0.410 nan 8.310 nan 0.000 0.514 128 P HA -0.095 nan 4.420 nan 0.000 0.218 128 P C 1.440 178.741 177.300 0.002 0.000 1.146 128 P CA 1.511 64.609 63.100 -0.004 0.000 0.813 128 P CB -0.204 31.493 31.700 -0.005 0.000 0.778 129 T N -5.279 109.285 114.554 0.017 0.000 2.995 129 T HA 0.051 4.401 4.350 0.001 0.000 0.269 129 T C 1.049 175.782 174.700 0.054 0.000 1.091 129 T CA 0.202 62.320 62.100 0.030 0.000 1.128 129 T CB -0.704 68.184 68.868 0.032 0.000 0.891 129 T HN -0.093 nan 8.240 nan 0.000 0.492 130 S N 1.442 117.177 115.700 0.058 0.000 2.564 130 S HA 0.272 4.742 4.470 0.001 0.000 0.278 130 S C -0.500 174.180 174.600 0.134 0.000 1.333 130 S CA -0.973 57.288 58.200 0.102 0.000 1.048 130 S CB 0.104 63.358 63.200 0.090 0.000 0.900 130 S HN 0.597 nan 8.310 nan 0.000 0.505 131 W N 2.657 123.965 121.300 0.013 0.000 2.210 131 W HA 0.337 4.998 4.660 0.001 0.000 0.330 131 W C 0.107 176.640 176.519 0.024 0.000 1.334 131 W CA 0.218 57.571 57.345 0.012 0.000 1.227 131 W CB 0.386 29.853 29.460 0.012 0.000 1.178 131 W HN 0.470 nan 8.180 nan 0.000 0.560 132 Q N 4.174 123.567 119.800 -0.679 0.000 2.345 132 Q HA 0.604 4.945 4.340 0.001 0.000 0.275 132 Q C -0.774 174.460 176.000 -1.276 0.000 1.063 132 Q CA -0.639 54.752 55.803 -0.686 0.000 0.819 132 Q CB 2.040 30.607 28.738 -0.285 0.000 1.356 132 Q HN 0.587 nan 8.270 nan 0.000 0.418 133 A N 1.353 123.676 122.820 -0.829 0.000 2.287 133 A HA 0.494 4.814 4.320 0.001 0.000 0.273 133 A C 0.215 177.617 177.584 -0.303 0.000 1.091 133 A CA -0.042 51.696 52.037 -0.498 0.000 0.817 133 A CB 0.572 19.599 19.000 0.045 0.000 1.069 133 A HN 0.796 nan 8.150 nan 0.000 0.492 134 S N -0.521 115.039 115.700 -0.232 0.000 2.556 134 S HA 0.173 4.644 4.470 0.001 0.000 0.216 134 S C 0.552 175.037 174.600 -0.191 0.000 0.970 134 S CA 0.570 58.648 58.200 -0.204 0.000 0.912 134 S CB -0.338 62.767 63.200 -0.159 0.000 0.790 134 S HN 1.098 nan 8.310 nan 0.000 0.504 135 T N -1.381 113.092 114.554 -0.136 0.000 2.883 135 T HA 0.647 4.998 4.350 0.001 0.000 0.296 135 T C -0.850 173.798 174.700 -0.087 0.000 1.117 135 T CA -0.758 61.275 62.100 -0.112 0.000 1.006 135 T CB 0.741 69.644 68.868 0.058 0.000 1.191 135 T HN -0.076 nan 8.240 nan 0.000 0.508 136 F N 3.209 123.236 119.950 0.129 0.000 2.605 136 F HA 0.383 4.911 4.527 0.001 0.000 0.352 136 F C 0.429 176.274 175.800 0.075 0.000 1.236 136 F CA -1.783 56.252 58.000 0.058 0.000 1.267 136 F CB -0.952 38.052 39.000 0.007 0.000 1.632 136 F HN 0.563 nan 8.300 nan 0.000 0.639 137 F N -0.740 119.306 119.950 0.160 0.000 2.368 137 F HA 0.588 5.115 4.527 0.001 0.000 0.308 137 F C -0.032 175.839 175.800 0.117 0.000 1.198 137 F CA -1.690 56.382 58.000 0.121 0.000 1.130 137 F CB -0.217 38.844 39.000 0.102 0.000 1.300 137 F HN -0.173 nan 8.300 nan 0.000 0.537 138 V N 2.591 122.641 119.914 0.228 0.000 2.421 138 V HA 0.264 4.385 4.120 0.001 0.000 0.271 138 V C 0.182 176.288 176.094 0.020 0.000 1.031 138 V CA -0.016 62.333 62.300 0.082 0.000 1.032 138 V CB -0.590 31.304 31.823 0.119 0.000 1.009 138 V HN 0.710 nan 8.190 nan 0.000 0.477 139 R N 3.882 124.294 120.500 -0.147 0.000 2.744 139 R HA 0.438 4.779 4.340 0.001 0.000 0.279 139 R C 0.105 176.356 176.300 -0.083 0.000 0.977 139 R CA -0.831 55.143 56.100 -0.211 0.000 0.906 139 R CB 1.329 31.359 30.300 -0.450 0.000 1.197 139 R HN 0.724 nan 8.270 nan 0.000 0.463 140 N N 0.897 119.576 118.700 -0.036 0.000 2.747 140 N HA -0.188 4.553 4.740 0.001 0.000 0.249 140 N C 0.424 175.921 175.510 -0.020 0.000 1.107 140 N CA 1.548 54.582 53.050 -0.027 0.000 0.707 140 N CB -1.143 37.320 38.487 -0.041 0.000 1.054 140 N HN 1.069 nan 8.380 nan 0.000 0.555 141 G N -1.799 106.995 108.800 -0.010 0.000 2.159 141 G HA2 -0.318 3.642 3.960 0.001 0.000 0.256 141 G HA3 -0.318 3.642 3.960 0.001 0.000 0.256 141 G C 0.249 175.143 174.900 -0.011 0.000 0.977 141 G CA 0.837 45.933 45.100 -0.006 0.000 0.652 141 G HN 1.300 nan 8.290 nan 0.000 0.531 142 S N -0.515 115.173 115.700 -0.020 0.000 2.585 142 S HA 0.484 4.955 4.470 0.001 0.000 0.273 142 S C 0.122 174.711 174.600 -0.018 0.000 1.339 142 S CA -0.005 58.180 58.200 -0.025 0.000 1.028 142 S CB 1.814 64.992 63.200 -0.038 0.000 0.906 142 S HN 0.651 nan 8.310 nan 0.000 0.528 143 N N 2.230 120.912 118.700 -0.030 0.000 2.485 143 N HA 0.354 5.095 4.740 0.001 0.000 0.243 143 N C -1.625 173.869 175.510 -0.027 0.000 0.987 143 N CA -2.543 50.483 53.050 -0.041 0.000 0.940 143 N CB 1.170 39.605 38.487 -0.086 0.000 1.122 143 N HN 0.357 nan 8.380 nan 0.000 0.509 144 P HA -0.052 nan 4.420 nan 0.000 0.230 144 P C 0.294 177.615 177.300 0.035 0.000 1.158 144 P CA 0.850 63.965 63.100 0.025 0.000 0.769 144 P CB 0.537 32.267 31.700 0.050 0.000 0.807 145 E N -0.141 120.066 120.200 0.012 0.000 2.347 145 E HA -0.107 4.244 4.350 0.001 0.000 0.196 145 E C 0.918 177.530 176.600 0.020 0.000 1.008 145 E CA 0.608 57.037 56.400 0.048 0.000 0.852 145 E CB -0.164 29.506 29.700 -0.051 0.000 0.783 145 E HN 0.314 nan 8.360 nan 0.000 0.505 146 Q N 2.228 122.004 119.800 -0.040 0.000 2.314 146 Q HA 0.034 4.375 4.340 0.001 0.000 0.257 146 Q C -0.862 175.147 176.000 0.015 0.000 0.975 146 Q CA -0.205 55.572 55.803 -0.042 0.000 0.933 146 Q CB 0.798 29.497 28.738 -0.065 0.000 1.195 146 Q HN -0.194 nan 8.270 nan 0.000 0.426 147 D N 6.014 126.443 120.400 0.047 0.000 2.339 147 D HA 0.081 4.721 4.640 0.001 0.000 0.256 147 D C -1.701 174.617 176.300 0.029 0.000 1.214 147 D CA -1.939 52.090 54.000 0.048 0.000 0.877 147 D CB 1.311 42.152 40.800 0.069 0.000 1.111 147 D HN 0.435 nan 8.370 nan 0.000 0.478 148 P HA -0.082 nan 4.420 nan 0.000 0.225 148 P C 1.308 178.611 177.300 0.005 0.000 1.148 148 P CA 0.639 63.739 63.100 -0.001 0.000 0.779 148 P CB 0.350 32.038 31.700 -0.020 0.000 0.780 149 L N -1.215 120.015 121.223 0.011 0.000 2.592 149 L HA 0.150 4.490 4.340 0.001 0.000 0.227 149 L C 1.545 178.427 176.870 0.020 0.000 1.127 149 L CA 0.330 55.177 54.840 0.011 0.000 0.884 149 L CB -0.204 41.858 42.059 0.005 0.000 1.065 149 L HN -0.158 nan 8.230 nan 0.000 0.457 150 R N -0.121 120.400 120.500 0.036 0.000 2.734 150 R HA 0.212 4.553 4.340 0.001 0.000 0.395 150 R C -0.455 175.899 176.300 0.089 0.000 1.096 150 R CA -0.269 55.864 56.100 0.055 0.000 1.071 150 R CB 0.308 30.645 30.300 0.061 0.000 1.348 150 R HN 0.040 nan 8.270 nan 0.000 0.600 151 N N 0.583 119.314 118.700 0.050 0.000 2.459 151 N HA 0.370 5.110 4.740 0.001 0.000 0.288 151 N C -0.721 174.703 175.510 -0.143 0.000 1.186 151 N CA -0.630 52.432 53.050 0.021 0.000 0.917 151 N CB 1.217 39.716 38.487 0.020 0.000 1.219 151 N HN 0.097 nan 8.380 nan 0.000 0.525 152 L N 2.109 123.080 121.223 -0.421 0.000 2.417 152 L HA 0.221 4.561 4.340 0.001 0.000 0.258 152 L C 1.400 178.077 176.870 -0.321 0.000 1.088 152 L CA -0.295 54.175 54.840 -0.617 0.000 0.975 152 L CB 0.443 41.742 42.059 -1.266 0.000 1.341 152 L HN 0.640 nan 8.230 nan 0.000 0.431 153 S N -0.155 115.457 115.700 -0.147 0.000 2.423 153 S HA -0.100 4.371 4.470 0.001 0.000 0.231 153 S C 1.764 176.330 174.600 -0.058 0.000 1.014 153 S CA 0.902 59.064 58.200 -0.062 0.000 0.965 153 S CB -0.124 63.054 63.200 -0.037 0.000 0.785 153 S HN 0.636 nan 8.310 nan 0.000 0.495 154 G N 0.458 109.210 108.800 -0.081 0.000 2.813 154 G HA2 0.095 4.055 3.960 0.001 0.000 0.209 154 G HA3 0.095 4.055 3.960 0.001 0.000 0.209 154 G C 0.556 175.423 174.900 -0.055 0.000 1.150 154 G CA -0.294 44.771 45.100 -0.058 0.000 0.785 154 G HN 0.358 nan 8.290 nan 0.000 0.535 155 Q N 0.607 120.351 119.800 -0.094 0.000 2.330 155 Q HA 0.499 4.839 4.340 0.001 0.000 0.279 155 Q C -0.085 175.936 176.000 0.036 0.000 1.024 155 Q CA 0.296 56.072 55.803 -0.045 0.000 0.900 155 Q CB 1.372 30.048 28.738 -0.104 0.000 1.221 155 Q HN 0.294 nan 8.270 nan 0.000 0.396 156 A N 2.016 124.864 122.820 0.048 0.000 2.594 156 A HA 0.750 5.071 4.320 0.001 0.000 0.291 156 A C -1.018 176.611 177.584 0.076 0.000 1.105 156 A CA -0.535 51.536 52.037 0.057 0.000 0.694 156 A CB 1.342 20.363 19.000 0.034 0.000 1.291 156 A HN 0.473 nan 8.150 nan 0.000 0.410 157 V N -2.190 117.781 119.914 0.095 0.000 3.001 157 V HA 0.957 5.077 4.120 0.001 0.000 0.314 157 V C -0.498 175.682 176.094 0.143 0.000 1.099 157 V CA -0.551 61.827 62.300 0.129 0.000 0.989 157 V CB 1.647 33.579 31.823 0.181 0.000 1.040 157 V HN 0.910 nan 8.190 nan 0.000 0.434 158 T N 2.609 117.255 114.554 0.152 0.000 2.840 158 T HA 0.565 4.915 4.350 0.001 0.000 0.287 158 T C -0.391 174.373 174.700 0.105 0.000 0.991 158 T CA -0.463 61.720 62.100 0.138 0.000 0.964 158 T CB 1.125 70.107 68.868 0.189 0.000 0.954 158 T HN 0.759 nan 8.240 nan 0.000 0.438 159 R N 2.658 123.207 120.500 0.082 0.000 2.423 159 R HA 0.616 4.956 4.340 0.001 0.000 0.293 159 R C -0.670 175.656 176.300 0.043 0.000 1.196 159 R CA -0.586 55.535 56.100 0.035 0.000 1.262 159 R CB 0.777 31.075 30.300 -0.003 0.000 1.116 159 R HN 0.543 nan 8.270 nan 0.000 0.566 160 V N -1.719 118.220 119.914 0.041 0.000 3.147 160 V HA 0.410 4.531 4.120 0.001 0.000 0.299 160 V C -0.120 175.996 176.094 0.036 0.000 1.302 160 V CA -1.180 61.147 62.300 0.046 0.000 1.015 160 V CB 1.863 33.722 31.823 0.060 0.000 1.086 160 V HN 0.126 nan 8.190 nan 0.000 0.437 161 V N 3.038 122.975 119.914 0.038 0.000 2.599 161 V HA 0.516 4.637 4.120 0.001 0.000 0.300 161 V C 1.723 177.837 176.094 0.033 0.000 1.034 161 V CA 1.894 64.215 62.300 0.036 0.000 1.115 161 V CB 0.158 32.003 31.823 0.038 0.000 0.934 161 V HN 2.144 nan 8.190 nan 0.000 0.485 162 G N 3.284 112.099 108.800 0.024 0.000 2.195 162 G HA2 -0.034 3.926 3.960 0.001 0.000 0.246 162 G HA3 -0.034 3.926 3.960 0.001 0.000 0.246 162 G C 1.014 175.890 174.900 -0.040 0.000 0.984 162 G CA 0.333 45.434 45.100 0.003 0.000 0.633 162 G HN 2.090 nan 8.290 nan 0.000 0.525 163 G N 0.191 108.979 108.800 -0.020 0.000 2.614 163 G HA2 -0.306 3.655 3.960 0.001 0.000 0.303 163 G HA3 -0.306 3.655 3.960 0.001 0.000 0.303 163 G C 1.220 176.069 174.900 -0.086 0.000 1.270 163 G CA 1.406 46.489 45.100 -0.028 0.000 0.988 163 G HN 1.107 nan 8.290 nan 0.000 0.551 164 M N 1.654 121.163 119.600 -0.152 0.000 2.557 164 M HA 0.003 4.484 4.480 0.001 0.000 0.259 164 M C 2.700 178.654 176.300 -0.576 0.000 1.086 164 M CA 1.681 56.751 55.300 -0.383 0.000 1.096 164 M CB -0.193 32.270 32.600 -0.229 0.000 1.424 164 M HN 0.687 nan 8.290 nan 0.000 0.488 165 S N -0.535 114.879 115.700 -0.478 0.000 2.555 165 S HA -0.071 4.399 4.470 0.001 0.000 0.230 165 S C 1.741 176.207 174.600 -0.223 0.000 0.978 165 S CA 1.165 58.980 58.200 -0.642 0.000 0.934 165 S CB -0.964 61.884 63.200 -0.586 0.000 0.766 165 S HN 0.583 nan 8.310 nan 0.000 0.533 166 T N -0.442 113.987 114.554 -0.209 0.000 3.035 166 T HA -0.048 4.303 4.350 0.001 0.000 0.268 166 T C 1.470 176.010 174.700 -0.267 0.000 1.109 166 T CA 1.038 63.047 62.100 -0.151 0.000 1.119 166 T CB -0.702 68.171 68.868 0.009 0.000 0.900 166 T HN 0.905 nan 8.240 nan 0.000 0.503 167 H N -1.996 116.999 119.070 -0.125 0.000 3.680 167 H HA 0.196 4.753 4.556 0.001 0.000 0.260 167 H C 0.605 176.122 175.328 0.315 0.000 1.183 167 H CA -0.977 55.135 56.048 0.108 0.000 1.159 167 H CB -0.500 29.341 29.762 0.132 0.000 1.567 167 H HN 0.502 nan 8.280 nan 0.000 0.648 168 W N 3.003 124.219 121.300 -0.141 0.000 2.089 168 W HA 0.232 4.893 4.660 0.001 0.000 0.355 168 W C -0.008 176.606 176.519 0.159 0.000 1.305 168 W CA 0.078 57.458 57.345 0.059 0.000 1.281 168 W CB -0.186 29.238 29.460 -0.060 0.000 1.183 168 W HN -0.163 nan 8.180 nan 0.000 0.604 169 T N 1.129 115.637 114.554 -0.076 0.000 3.085 169 T HA -0.022 4.328 4.350 0.001 0.000 0.263 169 T C 1.106 175.383 174.700 -0.705 0.000 1.127 169 T CA 1.186 63.079 62.100 -0.345 0.000 1.103 169 T CB -0.546 68.280 68.868 -0.070 0.000 0.921 169 T HN 0.676 nan 8.240 nan 0.000 0.510 170 C N 0.802 119.305 119.300 -1.328 0.000 4.617 170 C HA -0.115 4.346 4.460 0.001 0.000 0.260 170 C C 1.167 175.683 174.990 -0.790 0.000 1.288 170 C CA -0.815 57.191 59.018 -1.686 0.000 1.668 170 C CB -2.692 24.544 27.740 -0.840 0.000 1.518 170 C HN 0.784 nan 8.230 nan 0.000 0.708 171 A N 1.254 123.798 122.820 -0.460 0.000 2.444 171 A HA 0.516 4.837 4.320 0.001 0.000 0.273 171 A C 0.828 178.324 177.584 -0.145 0.000 1.136 171 A CA 1.250 53.166 52.037 -0.201 0.000 0.799 171 A CB 0.109 19.051 19.000 -0.097 0.000 1.081 171 A HN 1.400 nan 8.150 nan 0.000 0.509 172 T N 1.686 116.175 114.554 -0.107 0.000 3.466 172 T HA 0.500 4.850 4.350 0.001 0.000 0.297 172 T C -2.654 172.007 174.700 -0.065 0.000 1.640 172 T CA -1.500 60.576 62.100 -0.040 0.000 1.631 172 T CB 0.521 69.391 68.868 0.004 0.000 0.928 172 T HN 0.453 nan 8.240 nan 0.000 0.688 173 P HA 0.357 nan 4.420 nan 0.000 0.277 173 P C -0.164 177.006 177.300 -0.216 0.000 1.240 173 P CA -0.592 62.416 63.100 -0.154 0.000 0.798 173 P CB 1.114 32.691 31.700 -0.205 0.000 0.979 174 R N 0.872 121.160 120.500 -0.353 0.000 2.615 174 R HA 0.383 4.723 4.340 0.001 0.000 0.270 174 R C 0.141 176.340 176.300 -0.168 0.000 1.081 174 R CA -0.453 55.259 56.100 -0.646 0.000 1.154 174 R CB 0.128 29.874 30.300 -0.923 0.000 1.063 174 R HN 0.364 nan 8.270 nan 0.000 0.519 175 F N 1.915 121.652 119.950 -0.354 0.000 2.412 175 F HA 0.040 4.568 4.527 0.001 0.000 0.348 175 F C 1.017 176.645 175.800 -0.287 0.000 1.102 175 F CA -1.394 56.421 58.000 -0.307 0.000 1.196 175 F CB 0.220 39.030 39.000 -0.317 0.000 1.144 175 F HN 0.549 nan 8.300 nan 0.000 0.541 176 D N 2.403 122.734 120.400 -0.114 0.000 2.411 176 D HA 0.142 4.783 4.640 0.001 0.000 0.251 176 D C 1.052 177.273 176.300 -0.131 0.000 1.201 176 D CA -0.460 53.474 54.000 -0.110 0.000 0.996 176 D CB 0.561 41.309 40.800 -0.086 0.000 1.101 176 D HN 0.457 nan 8.370 nan 0.000 0.504 177 R N -0.391 120.056 120.500 -0.088 0.000 2.103 177 R HA -0.176 4.165 4.340 0.001 0.000 0.242 177 R C 2.024 178.272 176.300 -0.086 0.000 1.142 177 R CA 1.557 57.610 56.100 -0.078 0.000 0.960 177 R CB -0.238 30.047 30.300 -0.024 0.000 0.858 177 R HN 0.649 nan 8.270 nan 0.000 0.439 178 E N 0.539 120.685 120.200 -0.090 0.000 2.209 178 E HA -0.222 4.128 4.350 0.001 0.000 0.196 178 E C 1.410 177.907 176.600 -0.171 0.000 0.993 178 E CA 1.215 57.568 56.400 -0.079 0.000 0.819 178 E CB 0.203 29.905 29.700 0.003 0.000 0.745 178 E HN 0.435 nan 8.360 nan 0.000 0.477 179 Q N -0.695 118.913 119.800 -0.320 0.000 2.319 179 Q HA 0.134 4.474 4.340 0.001 0.000 0.209 179 Q C 0.326 176.226 176.000 -0.166 0.000 0.884 179 Q CA -0.161 55.382 55.803 -0.434 0.000 0.938 179 Q CB 0.766 28.929 28.738 -0.957 0.000 1.098 179 Q HN -0.075 nan 8.270 nan 0.000 0.517 180 R N 2.249 122.696 120.500 -0.088 0.000 2.346 180 R HA 0.292 4.632 4.340 0.001 0.000 0.311 180 R C -2.547 173.720 176.300 -0.056 0.000 0.983 180 R CA -2.095 53.947 56.100 -0.097 0.000 0.880 180 R CB 0.902 30.971 30.300 -0.385 0.000 1.100 180 R HN -0.121 nan 8.270 nan 0.000 0.453 181 P HA 0.025 nan 4.420 nan 0.000 0.271 181 P C -0.589 176.860 177.300 0.248 0.000 1.218 181 P CA -0.030 63.145 63.100 0.125 0.000 0.780 181 P CB 0.614 32.410 31.700 0.161 0.000 0.901 182 L N 2.655 123.987 121.223 0.182 0.000 2.380 182 L HA 0.173 4.514 4.340 0.001 0.000 0.273 182 L C 1.659 178.680 176.870 0.251 0.000 1.138 182 L CA -0.143 54.872 54.840 0.292 0.000 0.832 182 L CB 0.257 42.528 42.059 0.353 0.000 1.124 182 L HN 0.367 nan 8.230 nan 0.000 0.454 183 L N 3.198 124.623 121.223 0.337 0.000 2.609 183 L HA 0.222 4.563 4.340 0.001 0.000 0.230 183 L C -0.241 176.812 176.870 0.306 0.000 1.064 183 L CA 0.198 55.136 54.840 0.163 0.000 0.873 183 L CB 0.812 42.766 42.059 -0.175 0.000 1.139 183 L HN 0.312 nan 8.230 nan 0.000 0.490 184 V N 1.280 121.369 119.914 0.292 0.000 2.483 184 V HA 0.227 4.347 4.120 0.001 0.000 0.297 184 V C -0.398 175.787 176.094 0.151 0.000 1.027 184 V CA -0.955 61.449 62.300 0.173 0.000 0.855 184 V CB 1.631 33.509 31.823 0.092 0.000 0.995 184 V HN 0.207 nan 8.190 nan 0.000 0.424 185 K N 2.580 122.941 120.400 -0.065 0.000 2.144 185 K HA 0.485 4.805 4.320 0.001 0.000 0.270 185 K C -0.236 176.329 176.600 -0.058 0.000 1.005 185 K CA -0.513 55.706 56.287 -0.114 0.000 0.932 185 K CB 0.685 32.915 32.500 -0.451 0.000 1.021 185 K HN 0.595 nan 8.250 nan 0.000 0.462 186 D N 0.821 121.214 120.400 -0.011 0.000 2.751 186 D HA -0.183 4.458 4.640 0.001 0.000 0.233 186 D C -0.831 175.475 176.300 0.009 0.000 1.149 186 D CA 1.418 55.416 54.000 -0.002 0.000 0.682 186 D CB -0.878 39.907 40.800 -0.025 0.000 1.068 186 D HN 0.799 nan 8.370 nan 0.000 0.429 187 D N -1.432 118.987 120.400 0.031 0.000 2.474 187 D HA 0.379 5.019 4.640 0.001 0.000 0.234 187 D C 0.874 177.210 176.300 0.060 0.000 1.323 187 D CA 0.159 54.180 54.000 0.036 0.000 0.915 187 D CB 0.477 41.292 40.800 0.024 0.000 1.487 187 D HN -0.004 nan 8.370 nan 0.000 0.524 188 A N 2.477 125.334 122.820 0.060 0.000 1.940 188 A HA -0.176 4.145 4.320 0.001 0.000 0.219 188 A C 1.599 179.230 177.584 0.078 0.000 1.176 188 A CA 1.532 53.613 52.037 0.074 0.000 0.631 188 A CB -0.023 19.013 19.000 0.059 0.000 0.814 188 A HN 0.486 nan 8.150 nan 0.000 0.446 189 D N -0.268 120.168 120.400 0.060 0.000 2.194 189 D HA 0.075 4.716 4.640 0.001 0.000 0.204 189 D C 2.208 178.546 176.300 0.062 0.000 0.964 189 D CA 1.246 55.281 54.000 0.058 0.000 0.846 189 D CB -0.348 40.477 40.800 0.042 0.000 0.962 189 D HN 0.431 nan 8.370 nan 0.000 0.490 190 A N 1.033 123.887 122.820 0.056 0.000 1.873 190 A HA -0.195 4.126 4.320 0.001 0.000 0.215 190 A C 1.977 179.604 177.584 0.071 0.000 1.186 190 A CA 1.885 53.952 52.037 0.049 0.000 0.616 190 A CB -0.600 18.421 19.000 0.035 0.000 0.823 190 A HN 0.136 nan 8.150 nan 0.000 0.442 191 D N -0.108 120.357 120.400 0.109 0.000 2.092 191 D HA -0.177 4.463 4.640 0.001 0.000 0.193 191 D C 1.305 177.762 176.300 0.263 0.000 0.994 191 D CA 1.689 55.800 54.000 0.186 0.000 0.828 191 D CB -0.162 40.775 40.800 0.229 0.000 0.963 191 D HN 0.352 nan 8.370 nan 0.000 0.450 192 D N -0.138 120.386 120.400 0.208 0.000 2.116 192 D HA -0.184 4.457 4.640 0.001 0.000 0.193 192 D C 2.001 178.408 176.300 0.178 0.000 0.998 192 D CA 1.668 55.789 54.000 0.201 0.000 0.836 192 D CB -0.690 40.185 40.800 0.126 0.000 0.951 192 D HN 0.345 nan 8.370 nan 0.000 0.449 193 A N 0.575 123.461 122.820 0.110 0.000 1.902 193 A HA -0.217 4.104 4.320 0.001 0.000 0.217 193 A C 2.156 179.766 177.584 0.043 0.000 1.181 193 A CA 2.067 54.146 52.037 0.070 0.000 0.623 193 A CB -0.595 18.430 19.000 0.041 0.000 0.818 193 A HN 0.250 nan 8.150 nan 0.000 0.443 194 E N -0.960 119.245 120.200 0.008 0.000 2.051 194 E HA -0.210 4.141 4.350 0.001 0.000 0.192 194 E C 1.705 178.202 176.600 -0.171 0.000 0.991 194 E CA 1.571 57.903 56.400 -0.114 0.000 0.799 194 E CB -0.471 29.120 29.700 -0.181 0.000 0.748 194 E HN 0.714 nan 8.360 nan 0.000 0.449 195 W N 0.862 122.124 121.300 -0.064 0.000 2.338 195 W HA -0.158 4.503 4.660 0.001 0.000 0.304 195 W C 2.223 178.732 176.519 -0.017 0.000 1.212 195 W CA 1.357 58.629 57.345 -0.121 0.000 1.264 195 W CB -0.473 28.957 29.460 -0.051 0.000 1.142 195 W HN 0.281 nan 8.180 nan 0.000 0.512 196 D N -0.170 120.395 120.400 0.275 0.000 2.117 196 D HA -0.204 4.436 4.640 0.001 0.000 0.197 196 D C 2.146 178.520 176.300 0.122 0.000 0.987 196 D CA 1.508 55.641 54.000 0.221 0.000 0.829 196 D CB -0.212 40.676 40.800 0.147 0.000 0.961 196 D HN -0.043 nan 8.370 nan 0.000 0.460 197 R N -0.368 120.155 120.500 0.038 0.000 2.080 197 R HA -0.097 4.244 4.340 0.001 0.000 0.236 197 R C 2.488 178.749 176.300 -0.066 0.000 1.137 197 R CA 1.275 57.360 56.100 -0.024 0.000 0.943 197 R CB -0.335 29.928 30.300 -0.062 0.000 0.846 197 R HN 0.259 nan 8.270 nan 0.000 0.431 198 L N -0.664 120.483 121.223 -0.128 0.000 2.017 198 L HA -0.209 4.132 4.340 0.001 0.000 0.208 198 L C 2.410 179.218 176.870 -0.104 0.000 1.073 198 L CA 1.308 56.021 54.840 -0.212 0.000 0.745 198 L CB -0.653 41.162 42.059 -0.408 0.000 0.894 198 L HN 0.227 nan 8.230 nan 0.000 0.432 199 Y N 0.400 120.709 120.300 0.015 0.000 2.181 199 Y HA -0.235 4.316 4.550 0.001 0.000 0.288 199 Y C 2.890 178.777 175.900 -0.021 0.000 1.146 199 Y CA 1.541 59.660 58.100 0.031 0.000 1.164 199 Y CB -1.187 37.324 38.460 0.085 0.000 0.982 199 Y HN 0.155 nan 8.280 nan 0.000 0.515 200 T N -0.268 114.367 114.554 0.135 0.000 2.720 200 T HA -0.242 4.108 4.350 0.001 0.000 0.268 200 T C 1.975 176.645 174.700 -0.050 0.000 1.037 200 T CA 1.817 63.941 62.100 0.042 0.000 1.144 200 T CB -0.203 68.680 68.868 0.027 0.000 0.864 200 T HN 0.238 nan 8.240 nan 0.000 0.444 201 K N 0.881 121.195 120.400 -0.144 0.000 2.057 201 K HA 0.005 4.326 4.320 0.001 0.000 0.206 201 K C 2.541 178.825 176.600 -0.528 0.000 1.050 201 K CA 1.117 57.190 56.287 -0.357 0.000 0.935 201 K CB -0.326 31.913 32.500 -0.436 0.000 0.715 201 K HN 0.269 nan 8.250 nan 0.000 0.439 202 A N 1.326 123.954 122.820 -0.320 0.000 1.908 202 A HA -0.223 4.097 4.320 0.001 0.000 0.218 202 A C 1.835 179.439 177.584 0.033 0.000 1.181 202 A CA 1.894 53.826 52.037 -0.176 0.000 0.627 202 A CB -0.547 18.460 19.000 0.011 0.000 0.818 202 A HN 0.481 nan 8.150 nan 0.000 0.445 203 E N 0.152 120.406 120.200 0.089 0.000 2.153 203 E HA -0.155 4.196 4.350 0.001 0.000 0.194 203 E C 2.353 179.037 176.600 0.140 0.000 0.988 203 E CA 1.382 57.874 56.400 0.154 0.000 0.811 203 E CB -0.170 29.592 29.700 0.103 0.000 0.746 203 E HN 0.833 nan 8.360 nan 0.000 0.466 204 S N 0.086 115.820 115.700 0.057 0.000 2.371 204 S HA -0.161 4.309 4.470 0.001 0.000 0.224 204 S C 1.906 176.641 174.600 0.226 0.000 1.029 204 S CA 0.612 58.871 58.200 0.099 0.000 0.978 204 S CB -0.431 62.795 63.200 0.044 0.000 0.833 204 S HN 0.195 nan 8.310 nan 0.000 0.466 205 Y N 0.743 121.057 120.300 0.024 0.000 2.181 205 Y HA 0.109 4.660 4.550 0.001 0.000 0.288 205 Y C 2.047 177.971 175.900 0.041 0.000 1.146 205 Y CA -0.054 58.025 58.100 -0.035 0.000 1.164 205 Y CB -1.106 37.251 38.460 -0.171 0.000 0.982 205 Y HN 0.299 nan 8.280 nan 0.000 0.515 206 F N 0.254 120.360 119.950 0.259 0.000 2.710 206 F HA 0.029 4.557 4.527 0.001 0.000 0.298 206 F C 0.796 176.709 175.800 0.188 0.000 1.137 206 F CA 0.163 58.305 58.000 0.237 0.000 1.444 206 F CB -0.347 38.815 39.000 0.269 0.000 1.111 206 F HN 0.002 nan 8.300 nan 0.000 0.580 207 Q N 0.513 120.505 119.800 0.320 0.000 2.451 207 Q HA -0.196 4.145 4.340 0.001 0.000 0.305 207 Q C 0.079 176.172 176.000 0.155 0.000 1.345 207 Q CA 0.782 56.700 55.803 0.192 0.000 0.854 207 Q CB -2.704 26.123 28.738 0.149 0.000 1.162 207 Q HN 0.218 nan 8.270 nan 0.000 0.440 208 T N -0.013 114.647 114.554 0.177 0.000 2.916 208 T HA 0.456 4.807 4.350 0.001 0.000 0.303 208 T C 0.801 175.537 174.700 0.060 0.000 1.025 208 T CA 0.551 62.718 62.100 0.111 0.000 1.142 208 T CB 1.333 70.275 68.868 0.123 0.000 0.947 208 T HN 0.502 nan 8.240 nan 0.000 0.544 209 G N 0.544 109.363 108.800 0.032 0.000 2.684 209 G HA2 0.541 4.502 3.960 0.001 0.000 0.290 209 G HA3 0.541 4.502 3.960 0.001 0.000 0.290 209 G C 0.044 174.957 174.900 0.020 0.000 1.425 209 G CA -0.600 44.509 45.100 0.016 0.000 0.822 209 G HN 0.633 nan 8.290 nan 0.000 0.482 210 T N -2.342 112.224 114.554 0.020 0.000 3.296 210 T HA 0.275 4.626 4.350 0.001 0.000 0.285 210 T C 0.190 174.908 174.700 0.031 0.000 1.014 210 T CA 0.506 62.628 62.100 0.037 0.000 0.920 210 T CB 0.355 69.249 68.868 0.043 0.000 1.143 210 T HN 0.516 nan 8.240 nan 0.000 0.522 211 D N 0.314 120.712 120.400 -0.004 0.000 2.500 211 D HA 0.035 4.675 4.640 0.001 0.000 0.218 211 D C 1.338 177.571 176.300 -0.112 0.000 1.140 211 D CA -0.012 53.963 54.000 -0.041 0.000 0.830 211 D CB -0.076 40.695 40.800 -0.049 0.000 1.055 211 D HN 0.286 nan 8.370 nan 0.000 0.512 212 Q N -0.399 119.322 119.800 -0.132 0.000 2.369 212 Q HA 0.170 4.511 4.340 0.001 0.000 0.206 212 Q C 0.299 175.904 176.000 -0.659 0.000 0.963 212 Q CA 0.852 56.438 55.803 -0.363 0.000 0.894 212 Q CB -0.211 28.283 28.738 -0.408 0.000 0.965 212 Q HN 0.283 nan 8.270 nan 0.000 0.475 213 F N -0.192 119.603 119.950 -0.259 0.000 2.735 213 F HA 0.230 4.758 4.527 0.001 0.000 0.308 213 F C 1.265 176.873 175.800 -0.320 0.000 1.112 213 F CA -0.553 57.251 58.000 -0.327 0.000 1.235 213 F CB 0.410 39.134 39.000 -0.460 0.000 1.027 213 F HN -0.012 nan 8.300 nan 0.000 0.528 214 K N 0.443 120.766 120.400 -0.128 0.000 2.209 214 K HA -0.101 4.219 4.320 0.001 0.000 0.204 214 K C 0.680 177.222 176.600 -0.097 0.000 1.048 214 K CA 1.650 57.915 56.287 -0.038 0.000 0.940 214 K CB -0.160 32.302 32.500 -0.063 0.000 0.729 214 K HN 0.321 nan 8.250 nan 0.000 0.451 215 E N 1.662 121.682 120.200 -0.299 0.000 2.496 215 E HA 0.059 4.410 4.350 0.001 0.000 0.200 215 E C -0.746 175.722 176.600 -0.220 0.000 1.016 215 E CA -0.350 55.652 56.400 -0.663 0.000 0.962 215 E CB 0.946 30.068 29.700 -0.963 0.000 1.071 215 E HN 0.215 nan 8.360 nan 0.000 0.457 216 S N 0.636 116.355 115.700 0.031 0.000 2.531 216 S HA 0.138 4.609 4.470 0.001 0.000 0.279 216 S C 1.260 175.961 174.600 0.168 0.000 1.305 216 S CA -0.397 57.878 58.200 0.125 0.000 1.058 216 S CB 0.439 63.764 63.200 0.209 0.000 0.899 216 S HN 0.215 nan 8.310 nan 0.000 0.493 217 I N 5.036 125.577 120.570 -0.049 0.000 2.142 217 I HA -0.178 3.993 4.170 0.001 0.000 0.240 217 I C 2.754 178.711 176.117 -0.268 0.000 1.078 217 I CA 1.254 62.272 61.300 -0.471 0.000 1.343 217 I CB -0.268 37.216 38.000 -0.860 0.000 1.046 217 I HN 0.697 nan 8.210 nan 0.000 0.405 218 R N -0.447 119.982 120.500 -0.119 0.000 2.091 218 R HA -0.245 4.095 4.340 0.001 0.000 0.238 218 R C 2.385 178.716 176.300 0.052 0.000 1.136 218 R CA 1.908 57.989 56.100 -0.032 0.000 0.959 218 R CB -0.728 29.565 30.300 -0.012 0.000 0.856 218 R HN 0.446 nan 8.270 nan 0.000 0.437 219 H N 1.111 120.201 119.070 0.034 0.000 2.290 219 H HA -0.059 4.498 4.556 0.001 0.000 0.298 219 H C 1.792 177.192 175.328 0.120 0.000 1.087 219 H CA 1.945 58.035 56.048 0.069 0.000 1.291 219 H CB -0.109 29.723 29.762 0.117 0.000 1.369 219 H HN 0.123 nan 8.280 nan 0.000 0.492 220 N N 0.025 118.815 118.700 0.150 0.000 2.270 220 N HA -0.119 4.622 4.740 0.001 0.000 0.181 220 N C 2.044 177.695 175.510 0.236 0.000 1.016 220 N CA 0.921 54.104 53.050 0.223 0.000 0.870 220 N CB -0.212 38.614 38.487 0.566 0.000 0.979 220 N HN 0.299 nan 8.380 nan 0.000 0.431 221 L N 1.362 122.742 121.223 0.262 0.000 2.013 221 L HA -0.152 4.189 4.340 0.001 0.000 0.212 221 L C 2.129 179.054 176.870 0.091 0.000 1.073 221 L CA 1.441 56.429 54.840 0.246 0.000 0.753 221 L CB -0.554 41.607 42.059 0.169 0.000 0.890 221 L HN -0.112 nan 8.230 nan 0.000 0.432 222 V N -0.895 119.025 119.914 0.010 0.000 2.323 222 V HA -0.231 3.890 4.120 0.001 0.000 0.244 222 V C 2.392 178.414 176.094 -0.119 0.000 1.041 222 V CA 1.538 63.810 62.300 -0.045 0.000 1.025 222 V CB -0.638 31.139 31.823 -0.076 0.000 0.656 222 V HN 0.503 nan 8.190 nan 0.000 0.451 223 L N 1.026 122.146 121.223 -0.171 0.000 2.012 223 L HA -0.163 4.177 4.340 0.001 0.000 0.210 223 L C 2.179 178.981 176.870 -0.113 0.000 1.073 223 L CA 2.093 56.823 54.840 -0.183 0.000 0.748 223 L CB -0.968 40.940 42.059 -0.253 0.000 0.891 223 L HN 0.300 nan 8.230 nan 0.000 0.431 224 N N -0.101 118.579 118.700 -0.034 0.000 2.120 224 N HA -0.203 4.537 4.740 0.001 0.000 0.188 224 N C 1.832 177.318 175.510 -0.039 0.000 1.024 224 N CA 1.396 54.443 53.050 -0.006 0.000 0.852 224 N CB -0.329 38.181 38.487 0.039 0.000 1.003 224 N HN 0.302 nan 8.380 nan 0.000 0.424 225 K N 1.244 121.620 120.400 -0.040 0.000 2.026 225 K HA 0.060 4.380 4.320 0.001 0.000 0.208 225 K C 1.908 178.455 176.600 -0.089 0.000 1.048 225 K CA 0.931 57.193 56.287 -0.041 0.000 0.929 225 K CB -0.418 32.078 32.500 -0.006 0.000 0.713 225 K HN 0.118 nan 8.250 nan 0.000 0.439 226 L N 0.096 121.190 121.223 -0.216 0.000 2.093 226 L HA -0.142 4.199 4.340 0.001 0.000 0.208 226 L C 2.241 178.894 176.870 -0.361 0.000 1.085 226 L CA 1.595 56.179 54.840 -0.425 0.000 0.755 226 L CB -0.766 40.617 42.059 -1.127 0.000 0.904 226 L HN 0.254 nan 8.230 nan 0.000 0.435 227 T N -0.722 113.674 114.554 -0.263 0.000 2.684 227 T HA -0.281 4.070 4.350 0.001 0.000 0.267 227 T C 1.771 176.516 174.700 0.075 0.000 1.036 227 T CA 1.866 63.984 62.100 0.031 0.000 1.148 227 T CB -0.157 68.746 68.868 0.059 0.000 0.863 227 T HN 0.410 nan 8.240 nan 0.000 0.436 228 E N 0.615 120.823 120.200 0.013 0.000 2.047 228 E HA -0.174 4.176 4.350 0.001 0.000 0.191 228 E C 2.199 178.796 176.600 -0.004 0.000 0.987 228 E CA 0.954 57.358 56.400 0.007 0.000 0.799 228 E CB 0.037 29.724 29.700 -0.020 0.000 0.752 228 E HN 0.356 nan 8.360 nan 0.000 0.449 229 E N -0.313 119.872 120.200 -0.025 0.000 2.153 229 E HA -0.175 4.176 4.350 0.001 0.000 0.194 229 E C 0.931 177.389 176.600 -0.236 0.000 0.988 229 E CA 1.029 57.348 56.400 -0.135 0.000 0.811 229 E CB -0.043 29.558 29.700 -0.166 0.000 0.746 229 E HN 0.493 nan 8.360 nan 0.000 0.466 230 Y N 0.390 120.725 120.300 0.058 0.000 2.658 230 Y HA 0.186 4.737 4.550 0.001 0.000 0.276 230 Y C 0.603 176.569 175.900 0.110 0.000 1.167 230 Y CA -0.396 57.779 58.100 0.126 0.000 1.230 230 Y CB 0.302 38.933 38.460 0.286 0.000 1.144 230 Y HN -0.261 nan 8.280 nan 0.000 0.529 231 K N 0.807 121.302 120.400 0.157 0.000 2.453 231 K HA 0.151 4.472 4.320 0.001 0.000 0.280 231 K C 1.194 177.854 176.600 0.099 0.000 1.045 231 K CA 1.350 57.707 56.287 0.117 0.000 1.059 231 K CB -0.121 32.416 32.500 0.062 0.000 0.901 231 K HN 0.647 nan 8.250 nan 0.000 0.475 232 G N 3.192 112.053 108.800 0.102 0.000 2.199 232 G HA2 -0.291 3.670 3.960 0.001 0.000 0.254 232 G HA3 -0.291 3.670 3.960 0.001 0.000 0.254 232 G C 0.652 175.608 174.900 0.093 0.000 0.982 232 G CA 0.579 45.727 45.100 0.080 0.000 0.632 232 G HN 0.712 nan 8.290 nan 0.000 0.529 233 Q N -1.178 118.705 119.800 0.138 0.000 2.580 233 Q HA 0.299 4.639 4.340 0.001 0.000 0.239 233 Q C 1.107 177.199 176.000 0.153 0.000 0.873 233 Q CA 0.233 56.130 55.803 0.156 0.000 0.951 233 Q CB 0.963 29.827 28.738 0.210 0.000 1.172 233 Q HN 0.478 nan 8.270 nan 0.000 0.616 234 R N 0.441 121.042 120.500 0.169 0.000 2.707 234 R HA 0.376 4.717 4.340 0.001 0.000 0.272 234 R C -1.692 174.632 176.300 0.040 0.000 1.011 234 R CA -0.734 55.380 56.100 0.023 0.000 0.893 234 R CB 1.668 31.799 30.300 -0.281 0.000 1.233 234 R HN -0.042 nan 8.270 nan 0.000 0.464 235 D N 1.234 121.579 120.400 -0.090 0.000 2.185 235 D HA 0.403 5.043 4.640 0.001 0.000 0.247 235 D C -0.790 175.339 176.300 -0.285 0.000 1.027 235 D CA 0.025 54.003 54.000 -0.037 0.000 0.861 235 D CB 1.205 41.998 40.800 -0.013 0.000 1.202 235 D HN 0.136 nan 8.370 nan 0.000 0.453 236 F N 0.796 120.748 119.950 0.003 0.000 2.522 236 F HA 0.403 4.931 4.527 0.001 0.000 0.324 236 F C 0.682 176.494 175.800 0.019 0.000 1.077 236 F CA -0.579 57.416 58.000 -0.009 0.000 0.944 236 F CB 1.759 40.748 39.000 -0.018 0.000 1.175 236 F HN 0.214 nan 8.300 nan 0.000 0.468 237 Q N 0.067 119.972 119.800 0.175 0.000 2.737 237 Q HA 0.344 4.685 4.340 0.001 0.000 0.307 237 Q C -1.533 174.578 176.000 0.185 0.000 0.905 237 Q CA -1.295 54.602 55.803 0.157 0.000 0.753 237 Q CB 1.676 30.471 28.738 0.096 0.000 1.463 237 Q HN 0.612 nan 8.270 nan 0.000 0.455 238 Q N 0.761 120.691 119.800 0.217 0.000 2.364 238 Q HA 0.238 4.578 4.340 0.001 0.000 0.267 238 Q C -0.566 175.499 176.000 0.109 0.000 0.999 238 Q CA -0.195 55.740 55.803 0.220 0.000 0.886 238 Q CB 0.543 29.374 28.738 0.155 0.000 1.243 238 Q HN 0.560 nan 8.270 nan 0.000 0.415 239 I N 6.306 126.919 120.570 0.072 0.000 2.752 239 I HA -0.029 4.142 4.170 0.001 0.000 0.289 239 I C -1.969 174.167 176.117 0.031 0.000 1.197 239 I CA -1.489 59.831 61.300 0.032 0.000 1.432 239 I CB 0.276 38.262 38.000 -0.022 0.000 1.359 239 I HN 0.464 nan 8.210 nan 0.000 0.571 240 P HA 0.213 nan 4.420 nan 0.000 0.271 240 P C -0.939 176.357 177.300 -0.007 0.000 1.226 240 P CA 0.155 63.259 63.100 0.008 0.000 0.765 240 P CB 0.421 32.112 31.700 -0.014 0.000 0.835 241 L N 2.459 123.690 121.223 0.014 0.000 2.385 241 L HA 0.602 4.943 4.340 0.001 0.000 0.273 241 L C 0.298 177.168 176.870 0.000 0.000 0.990 241 L CA -1.162 53.686 54.840 0.013 0.000 0.821 241 L CB 2.109 44.250 42.059 0.136 0.000 1.279 241 L HN 0.256 nan 8.230 nan 0.000 0.412 242 A N 3.403 126.183 122.820 -0.066 0.000 2.671 242 A HA 0.740 5.061 4.320 0.001 0.000 0.306 242 A C 0.085 177.700 177.584 0.052 0.000 1.473 242 A CA 0.172 52.211 52.037 0.004 0.000 1.155 242 A CB -0.349 18.601 19.000 -0.083 0.000 1.123 242 A HN 0.814 nan 8.150 nan 0.000 0.545 243 A N 2.017 124.835 122.820 -0.003 0.000 2.586 243 A HA 0.673 4.993 4.320 0.001 0.000 0.296 243 A C -0.496 176.975 177.584 -0.188 0.000 1.040 243 A CA -0.475 51.457 52.037 -0.175 0.000 0.701 243 A CB 0.575 19.276 19.000 -0.499 0.000 1.277 243 A HN 0.673 nan 8.150 nan 0.000 0.413 244 T N 1.699 116.118 114.554 -0.226 0.000 2.815 244 T HA 0.467 4.818 4.350 0.001 0.000 0.289 244 T C 0.077 174.627 174.700 -0.250 0.000 1.000 244 T CA -0.406 61.585 62.100 -0.182 0.000 0.958 244 T CB 1.043 69.862 68.868 -0.081 0.000 0.944 244 T HN 0.721 nan 8.240 nan 0.000 0.442 245 R N 2.492 122.825 120.500 -0.279 0.000 2.489 245 R HA 0.170 4.511 4.340 0.001 0.000 0.287 245 R C 0.786 177.000 176.300 -0.144 0.000 1.053 245 R CA -0.199 55.735 56.100 -0.277 0.000 1.036 245 R CB 0.360 30.460 30.300 -0.333 0.000 0.966 245 R HN 0.424 nan 8.270 nan 0.000 0.432 246 R N 1.184 121.650 120.500 -0.057 0.000 2.279 246 R HA 0.127 4.467 4.340 0.001 0.000 0.195 246 R C 0.155 176.425 176.300 -0.050 0.000 0.905 246 R CA 0.583 56.661 56.100 -0.038 0.000 1.044 246 R CB 0.480 30.768 30.300 -0.020 0.000 1.056 246 R HN 0.755 nan 8.270 nan 0.000 0.535 247 S N -1.341 114.344 115.700 -0.025 0.000 2.615 247 S HA 0.379 4.850 4.470 0.001 0.000 0.269 247 S C -2.582 171.989 174.600 -0.049 0.000 1.161 247 S CA -1.069 57.113 58.200 -0.029 0.000 0.817 247 S CB 2.210 65.412 63.200 0.005 0.000 1.131 247 S HN -0.283 nan 8.310 nan 0.000 0.467 248 P HA -0.048 nan 4.420 nan 0.000 0.218 248 P C 1.036 178.314 177.300 -0.037 0.000 1.146 248 P CA 2.063 65.129 63.100 -0.058 0.000 0.820 248 P CB -0.175 31.509 31.700 -0.027 0.000 0.778 249 T N -7.159 107.405 114.554 0.016 0.000 3.091 249 T HA 0.290 4.640 4.350 0.001 0.000 0.277 249 T C -0.230 174.525 174.700 0.092 0.000 0.996 249 T CA -0.353 61.775 62.100 0.046 0.000 0.897 249 T CB -0.513 68.399 68.868 0.074 0.000 1.109 249 T HN -0.134 nan 8.240 nan 0.000 0.534 250 F N 1.744 121.638 119.950 -0.093 0.000 2.562 250 F HA 0.661 5.189 4.527 0.001 0.000 0.319 250 F C -1.449 174.225 175.800 -0.210 0.000 1.154 250 F CA -1.234 56.705 58.000 -0.102 0.000 0.931 250 F CB 1.964 40.919 39.000 -0.075 0.000 1.198 250 F HN -0.110 nan 8.300 nan 0.000 0.444 251 V N 5.352 124.971 119.914 -0.491 0.000 2.409 251 V HA 0.279 4.400 4.120 0.001 0.000 0.291 251 V C -0.358 175.270 176.094 -0.777 0.000 1.020 251 V CA -0.850 61.060 62.300 -0.649 0.000 0.848 251 V CB 1.611 32.831 31.823 -1.006 0.000 0.990 251 V HN 0.718 nan 8.190 nan 0.000 0.430 252 E N 4.668 124.653 120.200 -0.358 0.000 1.996 252 E HA 0.167 4.518 4.350 0.001 0.000 0.280 252 E C -1.048 175.363 176.600 -0.314 0.000 1.092 252 E CA -0.575 55.737 56.400 -0.148 0.000 0.862 252 E CB 0.454 30.223 29.700 0.116 0.000 1.066 252 E HN 0.633 nan 8.360 nan 0.000 0.396 253 W N 3.072 124.285 121.300 -0.145 0.000 2.216 253 W HA 0.119 4.779 4.660 0.001 0.000 0.326 253 W C 0.657 177.201 176.519 0.041 0.000 1.319 253 W CA -0.545 56.681 57.345 -0.199 0.000 1.213 253 W CB 0.812 29.884 29.460 -0.648 0.000 1.171 253 W HN 0.331 nan 8.180 nan 0.000 0.557 254 S N 1.685 117.595 115.700 0.350 0.000 2.608 254 S HA 0.585 5.056 4.470 0.001 0.000 0.261 254 S C 0.188 175.238 174.600 0.751 0.000 1.314 254 S CA -0.498 57.988 58.200 0.476 0.000 0.992 254 S CB 1.076 64.564 63.200 0.480 0.000 0.935 254 S HN 0.526 nan 8.310 nan 0.000 0.564 255 S N -0.540 115.541 115.700 0.635 0.000 2.703 255 S HA 0.670 5.141 4.470 0.001 0.000 0.273 255 S C 0.719 175.517 174.600 0.329 0.000 1.178 255 S CA -0.334 58.166 58.200 0.500 0.000 0.838 255 S CB 0.529 63.951 63.200 0.370 0.000 1.178 255 S HN 0.732 nan 8.310 nan 0.000 0.494 256 A N 1.483 124.391 122.820 0.148 0.000 1.948 256 A HA -0.170 4.151 4.320 0.001 0.000 0.220 256 A C 1.993 179.623 177.584 0.077 0.000 1.177 256 A CA 2.096 54.175 52.037 0.070 0.000 0.636 256 A CB -1.497 17.514 19.000 0.019 0.000 0.815 256 A HN 0.854 nan 8.150 nan 0.000 0.449 257 N N -0.537 118.218 118.700 0.093 0.000 2.149 257 N HA -0.153 4.588 4.740 0.001 0.000 0.188 257 N C 1.538 177.075 175.510 0.044 0.000 1.019 257 N CA 2.000 55.079 53.050 0.048 0.000 0.857 257 N CB -0.198 38.332 38.487 0.070 0.000 0.997 257 N HN 0.469 nan 8.380 nan 0.000 0.426 258 T N 0.635 115.264 114.554 0.124 0.000 2.746 258 T HA -0.070 4.281 4.350 0.001 0.000 0.267 258 T C 2.104 176.838 174.700 0.056 0.000 1.039 258 T CA 1.233 63.411 62.100 0.129 0.000 1.142 258 T CB -0.286 68.738 68.868 0.261 0.000 0.866 258 T HN 0.048 nan 8.240 nan 0.000 0.444 259 V N -0.328 119.602 119.914 0.025 0.000 2.270 259 V HA 0.094 4.215 4.120 0.001 0.000 0.245 259 V C 0.606 176.658 176.094 -0.070 0.000 1.043 259 V CA 1.101 63.336 62.300 -0.109 0.000 1.014 259 V CB -0.392 31.318 31.823 -0.189 0.000 0.645 259 V HN 0.488 nan 8.190 nan 0.000 0.447 260 F N 0.765 120.587 119.950 -0.212 0.000 2.604 260 F HA 0.402 4.930 4.527 0.001 0.000 0.316 260 F C 0.172 175.856 175.800 -0.193 0.000 1.136 260 F CA -1.590 56.257 58.000 -0.254 0.000 0.989 260 F CB 1.479 40.276 39.000 -0.338 0.000 1.258 260 F HN 0.165 nan 8.300 nan 0.000 0.451 261 D N 4.611 124.549 120.400 -0.770 0.000 2.363 261 D HA -0.017 4.624 4.640 0.001 0.000 0.220 261 D C 1.136 177.146 176.300 -0.484 0.000 0.994 261 D CA 1.060 54.762 54.000 -0.496 0.000 0.890 261 D CB -0.031 40.533 40.800 -0.393 0.000 0.906 261 D HN 0.671 nan 8.370 nan 0.000 0.530 262 L N -1.911 118.841 121.223 -0.784 0.000 4.696 262 L HA -0.235 4.106 4.340 0.001 0.000 0.425 262 L C -0.295 176.554 176.870 -0.035 0.000 1.115 262 L CA 0.469 55.169 54.840 -0.232 0.000 0.996 262 L CB -1.436 40.635 42.059 0.020 0.000 2.077 262 L HN 0.233 nan 8.230 nan 0.000 0.792 263 Q N 1.034 120.705 119.800 -0.215 0.000 2.314 263 Q HA 0.250 4.591 4.340 0.001 0.000 0.258 263 Q C 0.356 176.416 176.000 0.100 0.000 0.954 263 Q CA -0.189 55.574 55.803 -0.066 0.000 0.890 263 Q CB 0.736 29.397 28.738 -0.129 0.000 1.210 263 Q HN 0.121 nan 8.270 nan 0.000 0.410 264 N N 2.119 120.875 118.700 0.094 0.000 2.407 264 N HA 0.045 4.786 4.740 0.001 0.000 0.250 264 N C -0.281 175.292 175.510 0.105 0.000 1.236 264 N CA 0.494 53.603 53.050 0.097 0.000 0.879 264 N CB 0.553 39.005 38.487 -0.058 0.000 1.088 264 N HN 0.263 nan 8.380 nan 0.000 0.450 265 R N 1.418 122.011 120.500 0.155 0.000 2.807 265 R HA 0.495 4.836 4.340 0.001 0.000 0.276 265 R C -2.417 173.942 176.300 0.098 0.000 0.979 265 R CA -1.591 54.586 56.100 0.127 0.000 0.928 265 R CB 2.002 32.404 30.300 0.169 0.000 1.191 265 R HN 0.403 nan 8.270 nan 0.000 0.471 266 P HA 0.099 nan 4.420 nan 0.000 0.275 266 P C -1.399 175.953 177.300 0.087 0.000 1.228 266 P CA -0.258 62.925 63.100 0.138 0.000 0.786 266 P CB 0.798 32.636 31.700 0.231 0.000 0.927 267 N N -0.912 117.827 118.700 0.066 0.000 2.902 267 N HA 0.249 4.990 4.740 0.001 0.000 0.268 267 N C 0.668 176.194 175.510 0.026 0.000 1.450 267 N CA -0.758 52.312 53.050 0.034 0.000 0.819 267 N CB -0.629 37.866 38.487 0.013 0.000 1.540 267 N HN 0.067 nan 8.380 nan 0.000 0.545 268 T N -0.854 113.707 114.554 0.011 0.000 2.737 268 T HA -0.123 4.228 4.350 0.001 0.000 0.269 268 T C 0.375 175.076 174.700 0.003 0.000 1.040 268 T CA 1.688 63.791 62.100 0.005 0.000 1.142 268 T CB -0.433 68.433 68.868 -0.003 0.000 0.861 268 T HN 0.514 nan 8.240 nan 0.000 0.456 269 D N 0.982 121.379 120.400 -0.004 0.000 2.289 269 D HA 0.199 4.839 4.640 0.001 0.000 0.207 269 D C 0.867 177.168 176.300 0.003 0.000 0.966 269 D CA 0.453 54.447 54.000 -0.009 0.000 0.868 269 D CB 0.171 40.955 40.800 -0.027 0.000 0.943 269 D HN 0.405 nan 8.370 nan 0.000 0.514 270 A N 1.327 124.158 122.820 0.018 0.000 3.317 270 A HA 0.303 4.624 4.320 0.001 0.000 0.307 270 A C -1.889 175.740 177.584 0.076 0.000 1.003 270 A CA -0.847 51.215 52.037 0.042 0.000 0.882 270 A CB 0.950 19.975 19.000 0.041 0.000 1.136 270 A HN -0.153 nan 8.150 nan 0.000 0.488 271 P HA -0.128 nan 4.420 nan 0.000 0.223 271 P C 0.560 177.955 177.300 0.159 0.000 1.151 271 P CA 1.198 64.348 63.100 0.084 0.000 0.787 271 P CB 0.413 32.133 31.700 0.034 0.000 0.788 272 E N -0.383 119.923 120.200 0.177 0.000 2.481 272 E HA 0.101 4.452 4.350 0.001 0.000 0.198 272 E C 0.232 177.048 176.600 0.360 0.000 1.027 272 E CA -0.044 56.548 56.400 0.321 0.000 0.900 272 E CB 0.389 30.196 29.700 0.178 0.000 0.993 272 E HN 0.497 nan 8.360 nan 0.000 0.482 273 E N 1.175 121.505 120.200 0.216 0.000 2.283 273 E HA 0.380 4.730 4.350 0.001 0.000 0.267 273 E C -0.210 176.427 176.600 0.062 0.000 1.045 273 E CA -0.365 56.108 56.400 0.122 0.000 0.884 273 E CB 1.259 31.032 29.700 0.122 0.000 1.106 273 E HN -0.103 nan 8.360 nan 0.000 0.408 274 R N 1.900 122.398 120.500 -0.003 0.000 2.473 274 R HA 0.425 4.766 4.340 0.001 0.000 0.303 274 R C -1.502 174.885 176.300 0.145 0.000 1.002 274 R CA -0.540 55.537 56.100 -0.040 0.000 0.884 274 R CB 0.967 31.113 30.300 -0.258 0.000 1.173 274 R HN 0.404 nan 8.270 nan 0.000 0.464 275 F N 2.253 122.199 119.950 -0.006 0.000 2.604 275 F HA 0.436 4.964 4.527 0.001 0.000 0.316 275 F C -1.693 174.064 175.800 -0.072 0.000 1.136 275 F CA -0.698 57.298 58.000 -0.006 0.000 0.989 275 F CB 1.981 41.049 39.000 0.114 0.000 1.258 275 F HN 0.376 nan 8.300 nan 0.000 0.451 276 N N 4.744 122.862 118.700 -0.969 0.000 2.296 276 N HA 0.592 5.333 4.740 0.001 0.000 0.294 276 N C -2.001 172.522 175.510 -1.646 0.000 1.033 276 N CA -0.631 51.752 53.050 -1.111 0.000 0.839 276 N CB 2.311 40.355 38.487 -0.739 0.000 1.395 276 N HN 0.578 nan 8.380 nan 0.000 0.479 277 L N 2.500 122.933 121.223 -1.317 0.000 2.295 277 L HA 0.630 4.971 4.340 0.001 0.000 0.285 277 L C -1.634 174.642 176.870 -0.990 0.000 1.035 277 L CA -0.291 54.005 54.840 -0.906 0.000 0.806 277 L CB 0.149 42.027 42.059 -0.300 0.000 1.214 277 L HN 0.472 nan 8.230 nan 0.000 0.426 278 F N 6.416 126.113 119.950 -0.422 0.000 2.443 278 F HA 0.527 5.054 4.527 0.001 0.000 0.369 278 F C -2.146 173.596 175.800 -0.096 0.000 1.090 278 F CA -2.077 55.764 58.000 -0.264 0.000 1.129 278 F CB 0.692 39.484 39.000 -0.347 0.000 1.367 278 F HN 0.415 nan 8.300 nan 0.000 0.465 279 P HA 0.290 nan 4.420 nan 0.000 0.276 279 P C 0.100 177.456 177.300 0.092 0.000 1.261 279 P CA -0.130 63.007 63.100 0.062 0.000 0.800 279 P CB 0.979 32.696 31.700 0.027 0.000 1.066 280 A N -0.973 121.887 122.820 0.067 0.000 2.783 280 A HA -0.119 4.202 4.320 0.001 0.000 0.292 280 A C 0.013 177.633 177.584 0.061 0.000 1.495 280 A CA 0.798 52.869 52.037 0.057 0.000 0.787 280 A CB -2.429 16.602 19.000 0.052 0.000 1.017 280 A HN 0.262 nan 8.150 nan 0.000 0.516 281 V N -0.168 119.802 119.914 0.093 0.000 2.376 281 V HA 0.645 4.766 4.120 0.001 0.000 0.287 281 V C 0.648 176.767 176.094 0.042 0.000 1.015 281 V CA -0.297 62.063 62.300 0.100 0.000 0.834 281 V CB 1.416 33.394 31.823 0.257 0.000 1.001 281 V HN 1.402 nan 8.190 nan 0.000 0.428 282 A N 4.419 127.242 122.820 0.004 0.000 2.396 282 A HA 0.414 4.735 4.320 0.001 0.000 0.279 282 A C 0.196 177.774 177.584 -0.011 0.000 1.165 282 A CA -0.149 51.873 52.037 -0.025 0.000 0.824 282 A CB -0.202 18.825 19.000 0.044 0.000 1.100 282 A HN 0.862 nan 8.150 nan 0.000 0.516 283 C N 2.823 122.085 119.300 -0.063 0.000 2.415 283 C HA 0.339 4.800 4.460 0.001 0.000 0.369 283 C C 1.367 176.320 174.990 -0.062 0.000 1.279 283 C CA -0.236 58.731 59.018 -0.085 0.000 1.886 283 C CB -0.324 27.354 27.740 -0.105 0.000 2.468 283 C HN 1.006 nan 8.230 nan 0.000 0.553 284 E N 0.866 121.045 120.200 -0.035 0.000 2.364 284 E HA 0.095 4.446 4.350 0.001 0.000 0.203 284 E C 0.257 176.829 176.600 -0.047 0.000 0.888 284 E CA 0.266 56.651 56.400 -0.026 0.000 0.989 284 E CB 0.508 30.213 29.700 0.009 0.000 0.985 284 E HN 0.791 nan 8.360 nan 0.000 0.499 285 R N -0.245 120.222 120.500 -0.055 0.000 2.690 285 R HA 0.426 4.767 4.340 0.001 0.000 0.269 285 R C -1.017 175.182 176.300 -0.169 0.000 1.037 285 R CA -0.940 55.094 56.100 -0.111 0.000 0.877 285 R CB 0.942 31.167 30.300 -0.126 0.000 1.255 285 R HN -0.087 nan 8.270 nan 0.000 0.467 286 V N -0.468 119.337 119.914 -0.182 0.000 2.472 286 V HA 0.671 4.792 4.120 0.001 0.000 0.290 286 V C -0.045 175.886 176.094 -0.271 0.000 1.037 286 V CA -0.902 61.247 62.300 -0.252 0.000 0.908 286 V CB 1.653 33.325 31.823 -0.251 0.000 0.985 286 V HN 0.528 nan 8.190 nan 0.000 0.454 287 V N 5.660 125.373 119.914 -0.335 0.000 2.406 287 V HA 0.450 4.570 4.120 0.001 0.000 0.272 287 V C 0.639 176.634 176.094 -0.165 0.000 1.043 287 V CA -0.410 61.722 62.300 -0.280 0.000 0.915 287 V CB 0.848 32.490 31.823 -0.301 0.000 0.988 287 V HN 0.937 nan 8.190 nan 0.000 0.466 288 R N 3.810 124.239 120.500 -0.118 0.000 2.410 288 R HA 0.317 4.657 4.340 0.001 0.000 0.288 288 R C 0.292 176.591 176.300 -0.003 0.000 1.051 288 R CA -0.627 55.476 56.100 0.005 0.000 1.021 288 R CB 0.716 30.996 30.300 -0.033 0.000 1.032 288 R HN 0.870 nan 8.270 nan 0.000 0.481 289 N N 1.594 120.313 118.700 0.033 0.000 2.326 289 N HA -0.019 4.722 4.740 0.001 0.000 0.239 289 N C 0.635 176.128 175.510 -0.028 0.000 1.301 289 N CA 0.216 53.263 53.050 -0.004 0.000 0.909 289 N CB 0.479 38.965 38.487 -0.002 0.000 1.156 289 N HN 0.581 nan 8.380 nan 0.000 0.462 290 A N 0.676 123.477 122.820 -0.032 0.000 1.940 290 A HA -0.112 4.209 4.320 0.001 0.000 0.219 290 A C 2.212 179.763 177.584 -0.055 0.000 1.176 290 A CA 1.152 53.165 52.037 -0.039 0.000 0.631 290 A CB -0.864 18.118 19.000 -0.030 0.000 0.814 290 A HN 0.669 nan 8.150 nan 0.000 0.446 291 L N -1.046 120.135 121.223 -0.070 0.000 2.478 291 L HA -0.048 4.293 4.340 0.001 0.000 0.223 291 L C 0.116 176.884 176.870 -0.169 0.000 1.140 291 L CA 0.103 54.884 54.840 -0.098 0.000 0.842 291 L CB -0.469 41.534 42.059 -0.094 0.000 0.953 291 L HN 0.410 nan 8.230 nan 0.000 0.452 292 N N 0.218 118.799 118.700 -0.198 0.000 2.725 292 N HA -0.184 4.556 4.740 0.001 0.000 0.251 292 N C 0.896 175.795 175.510 -1.018 0.000 1.031 292 N CA 1.041 53.851 53.050 -0.401 0.000 0.720 292 N CB -1.070 37.330 38.487 -0.144 0.000 0.930 292 N HN 0.546 nan 8.380 nan 0.000 0.543 293 S N -2.127 113.112 115.700 -0.768 0.000 2.604 293 S HA 0.250 4.720 4.470 0.001 0.000 0.235 293 S C 0.270 174.641 174.600 -0.382 0.000 1.043 293 S CA -0.205 57.619 58.200 -0.626 0.000 0.997 293 S CB 1.557 64.605 63.200 -0.255 0.000 0.956 293 S HN 0.376 nan 8.310 nan 0.000 0.535 294 E N 0.374 120.470 120.200 -0.173 0.000 2.352 294 E HA 0.430 4.781 4.350 0.001 0.000 0.280 294 E C -1.634 175.144 176.600 0.297 0.000 0.930 294 E CA -0.836 55.664 56.400 0.167 0.000 0.765 294 E CB 1.355 31.119 29.700 0.105 0.000 1.219 294 E HN 0.101 nan 8.360 nan 0.000 0.434 295 I N 3.520 124.234 120.570 0.239 0.000 2.428 295 I HA 0.120 4.291 4.170 0.001 0.000 0.289 295 I C 0.896 176.938 176.117 -0.125 0.000 1.019 295 I CA 0.172 61.423 61.300 -0.082 0.000 1.351 295 I CB 1.239 38.958 38.000 -0.468 0.000 1.412 295 I HN 0.699 nan 8.210 nan 0.000 0.513 296 E N 3.046 123.160 120.200 -0.144 0.000 2.372 296 E HA 0.098 4.448 4.350 0.001 0.000 0.201 296 E C 0.230 176.857 176.600 0.044 0.000 0.938 296 E CA 0.350 56.752 56.400 0.004 0.000 0.944 296 E CB 0.632 30.337 29.700 0.009 0.000 0.937 296 E HN 0.724 nan 8.360 nan 0.000 0.495 297 S N -0.479 115.158 115.700 -0.105 0.000 2.615 297 S HA 0.471 4.942 4.470 0.001 0.000 0.268 297 S C -1.598 172.944 174.600 -0.098 0.000 1.146 297 S CA -1.040 57.191 58.200 0.053 0.000 0.818 297 S CB 1.177 64.466 63.200 0.149 0.000 1.111 297 S HN 0.003 nan 8.310 nan 0.000 0.465 298 L N 1.917 123.214 121.223 0.123 0.000 2.305 298 L HA 0.560 4.901 4.340 0.001 0.000 0.284 298 L C -0.783 176.164 176.870 0.129 0.000 1.013 298 L CA -0.134 54.733 54.840 0.044 0.000 0.819 298 L CB 0.819 42.927 42.059 0.082 0.000 1.227 298 L HN 0.900 nan 8.230 nan 0.000 0.417 299 H N 6.201 125.221 119.070 -0.083 0.000 2.562 299 H HA 0.507 5.064 4.556 0.001 0.000 0.314 299 H C -0.262 175.009 175.328 -0.095 0.000 1.079 299 H CA -0.586 55.419 56.048 -0.071 0.000 1.349 299 H CB 1.247 30.971 29.762 -0.063 0.000 1.432 299 H HN 0.680 nan 8.280 nan 0.000 0.479 300 I N 0.207 120.783 120.570 0.011 0.000 2.846 300 I HA 0.404 4.575 4.170 0.001 0.000 0.307 300 I C -0.944 175.237 176.117 0.107 0.000 1.053 300 I CA -0.919 60.364 61.300 -0.029 0.000 1.050 300 I CB 2.966 40.832 38.000 -0.223 0.000 1.239 300 I HN 0.606 nan 8.210 nan 0.000 0.439 301 H N 3.473 122.544 119.070 0.003 0.000 2.800 301 H HA 0.236 4.792 4.556 0.001 0.000 0.322 301 H C -1.481 173.896 175.328 0.082 0.000 0.979 301 H CA -0.663 55.404 56.048 0.032 0.000 1.277 301 H CB 1.467 31.241 29.762 0.020 0.000 1.484 301 H HN 0.757 nan 8.280 nan 0.000 0.512 302 D N 5.498 125.934 120.400 0.059 0.000 2.339 302 D HA 0.006 4.647 4.640 0.001 0.000 0.256 302 D C 1.127 177.284 176.300 -0.238 0.000 1.214 302 D CA -0.077 53.924 54.000 0.001 0.000 0.877 302 D CB 1.047 41.956 40.800 0.182 0.000 1.111 302 D HN 0.678 nan 8.370 nan 0.000 0.478 303 L N 4.168 125.261 121.223 -0.217 0.000 2.313 303 L HA -0.102 4.238 4.340 0.001 0.000 0.214 303 L C 1.864 178.680 176.870 -0.090 0.000 1.119 303 L CA 0.129 54.830 54.840 -0.233 0.000 0.809 303 L CB -0.046 41.971 42.059 -0.070 0.000 0.933 303 L HN 0.504 nan 8.230 nan 0.000 0.449 304 I N -0.424 120.130 120.570 -0.028 0.000 2.270 304 I HA -0.154 4.017 4.170 0.001 0.000 0.239 304 I C 2.777 178.906 176.117 0.020 0.000 1.080 304 I CA 1.691 62.997 61.300 0.010 0.000 1.383 304 I CB -1.319 36.700 38.000 0.031 0.000 1.097 304 I HN 0.252 nan 8.210 nan 0.000 0.420 305 S N 0.588 116.313 115.700 0.041 0.000 2.453 305 S HA 0.040 4.511 4.470 0.001 0.000 0.231 305 S C 1.875 176.509 174.600 0.057 0.000 1.005 305 S CA 0.991 59.230 58.200 0.064 0.000 0.949 305 S CB -0.251 63.019 63.200 0.118 0.000 0.774 305 S HN 0.649 nan 8.310 nan 0.000 0.510 306 G N 0.836 109.656 108.800 0.034 0.000 2.179 306 G HA2 -0.207 3.754 3.960 0.001 0.000 0.260 306 G HA3 -0.207 3.754 3.960 0.001 0.000 0.260 306 G C -0.357 174.648 174.900 0.175 0.000 0.977 306 G CA 0.261 45.424 45.100 0.104 0.000 0.641 306 G HN 0.584 nan 8.290 nan 0.000 0.533 307 D N 0.458 120.913 120.400 0.092 0.000 2.313 307 D HA 0.528 5.168 4.640 0.001 0.000 0.247 307 D C 0.922 177.144 176.300 -0.131 0.000 1.094 307 D CA -0.018 53.927 54.000 -0.092 0.000 0.925 307 D CB 0.660 41.325 40.800 -0.224 0.000 1.188 307 D HN 0.381 nan 8.370 nan 0.000 0.430 308 R N 1.090 121.347 120.500 -0.405 0.000 2.532 308 R HA 0.623 4.964 4.340 0.001 0.000 0.295 308 R C -0.677 175.179 176.300 -0.741 0.000 0.968 308 R CA -0.620 55.268 56.100 -0.353 0.000 0.916 308 R CB 1.180 31.336 30.300 -0.240 0.000 1.124 308 R HN 0.295 nan 8.270 nan 0.000 0.463 309 F N -0.043 119.841 119.950 -0.111 0.000 2.626 309 F HA 0.257 4.784 4.527 0.001 0.000 0.311 309 F C -0.128 175.572 175.800 -0.166 0.000 1.088 309 F CA -1.089 56.836 58.000 -0.126 0.000 0.949 309 F CB 1.896 40.842 39.000 -0.090 0.000 1.322 309 F HN 0.455 nan 8.300 nan 0.000 0.461 310 E N 2.440 122.688 120.200 0.080 0.000 2.158 310 E HA 0.582 4.933 4.350 0.001 0.000 0.271 310 E C -1.571 175.107 176.600 0.130 0.000 0.911 310 E CA -0.639 55.819 56.400 0.097 0.000 0.767 310 E CB 1.573 31.326 29.700 0.090 0.000 1.120 310 E HN 0.392 nan 8.360 nan 0.000 0.405 311 I N 2.792 123.435 120.570 0.121 0.000 2.441 311 I HA 0.332 4.502 4.170 0.001 0.000 0.295 311 I C -0.108 176.141 176.117 0.220 0.000 0.994 311 I CA -1.007 60.374 61.300 0.135 0.000 1.144 311 I CB 1.313 39.343 38.000 0.050 0.000 1.314 311 I HN 0.613 nan 8.210 nan 0.000 0.445 312 K N 4.449 124.977 120.400 0.213 0.000 2.159 312 K HA 0.825 5.146 4.320 0.001 0.000 0.266 312 K C -1.013 175.672 176.600 0.141 0.000 0.975 312 K CA -0.289 56.130 56.287 0.219 0.000 0.865 312 K CB 1.621 34.214 32.500 0.154 0.000 1.087 312 K HN 0.816 nan 8.250 nan 0.000 0.446 313 A N 2.773 125.595 122.820 0.003 0.000 2.594 313 A HA 0.384 4.704 4.320 0.001 0.000 0.291 313 A C -0.455 177.009 177.584 -0.200 0.000 1.105 313 A CA -0.671 51.233 52.037 -0.223 0.000 0.694 313 A CB 0.994 19.660 19.000 -0.558 0.000 1.291 313 A HN 0.747 nan 8.150 nan 0.000 0.410 314 D N -0.463 119.867 120.400 -0.116 0.000 2.123 314 D HA 0.076 4.716 4.640 0.001 0.000 0.200 314 D C 0.413 176.616 176.300 -0.160 0.000 0.976 314 D CA 1.793 55.789 54.000 -0.007 0.000 0.831 314 D CB 0.116 40.973 40.800 0.095 0.000 0.974 314 D HN 0.233 nan 8.370 nan 0.000 0.469 315 V N 0.413 120.076 119.914 -0.418 0.000 2.656 315 V HA 0.299 4.420 4.120 0.001 0.000 0.307 315 V C -1.260 174.572 176.094 -0.437 0.000 1.051 315 V CA -0.852 61.196 62.300 -0.419 0.000 0.893 315 V CB 1.911 33.360 31.823 -0.623 0.000 0.999 315 V HN -0.051 nan 8.190 nan 0.000 0.426 316 Y N 2.703 122.989 120.300 -0.022 0.000 2.331 316 Y HA 0.685 5.236 4.550 0.001 0.000 0.334 316 Y C -0.193 175.671 175.900 -0.060 0.000 0.960 316 Y CA -0.872 57.202 58.100 -0.043 0.000 1.130 316 Y CB 2.188 40.623 38.460 -0.041 0.000 1.164 316 Y HN 0.353 nan 8.280 nan 0.000 0.458 317 V N 5.524 125.407 119.914 -0.051 0.000 2.444 317 V HA 0.414 4.535 4.120 0.001 0.000 0.294 317 V C -0.467 175.498 176.094 -0.214 0.000 1.022 317 V CA -0.916 61.239 62.300 -0.242 0.000 0.850 317 V CB 1.692 33.162 31.823 -0.588 0.000 0.992 317 V HN 0.584 nan 8.190 nan 0.000 0.426 318 L N 5.085 126.177 121.223 -0.218 0.000 2.265 318 L HA 0.588 4.929 4.340 0.001 0.000 0.289 318 L C 0.363 177.127 176.870 -0.177 0.000 1.033 318 L CA -0.180 54.550 54.840 -0.184 0.000 0.814 318 L CB 1.566 43.498 42.059 -0.212 0.000 1.203 318 L HN 0.818 nan 8.230 nan 0.000 0.423 319 T N -1.606 112.880 114.554 -0.113 0.000 3.741 319 T HA 0.365 4.716 4.350 0.001 0.000 0.242 319 T C 0.614 175.317 174.700 0.005 0.000 1.042 319 T CA -0.080 61.994 62.100 -0.044 0.000 1.278 319 T CB 1.004 69.842 68.868 -0.050 0.000 0.994 319 T HN 0.540 nan 8.240 nan 0.000 0.594 320 A N 0.773 123.606 122.820 0.020 0.000 2.275 320 A HA 0.775 5.096 4.320 0.001 0.000 0.212 320 A C 1.409 179.070 177.584 0.128 0.000 1.201 320 A CA 0.133 52.205 52.037 0.060 0.000 0.843 320 A CB -0.682 18.346 19.000 0.048 0.000 0.873 320 A HN 1.741 nan 8.150 nan 0.000 0.492 321 G N -2.475 106.395 108.800 0.117 0.000 2.662 321 G HA2 0.259 4.220 3.960 0.001 0.000 0.686 321 G HA3 0.259 4.220 3.960 0.001 0.000 0.686 321 G C 0.782 175.777 174.900 0.158 0.000 1.271 321 G CA -0.260 44.917 45.100 0.127 0.000 0.816 321 G HN 1.291 nan 8.290 nan 0.000 0.608 322 A N -0.464 122.433 122.820 0.128 0.000 1.940 322 A HA 0.149 4.470 4.320 0.001 0.000 0.219 322 A C 2.670 180.334 177.584 0.132 0.000 1.176 322 A CA 3.406 55.515 52.037 0.119 0.000 0.631 322 A CB -0.426 18.615 19.000 0.069 0.000 0.814 322 A HN 1.622 nan 8.150 nan 0.000 0.446 323 V N -1.085 118.862 119.914 0.056 0.000 2.346 323 V HA -0.198 3.922 4.120 0.001 0.000 0.244 323 V C 2.226 178.348 176.094 0.047 0.000 1.037 323 V CA 2.159 64.462 62.300 0.006 0.000 1.029 323 V CB -1.030 30.674 31.823 -0.198 0.000 0.663 323 V HN 0.741 nan 8.190 nan 0.000 0.454 324 H N -0.356 118.785 119.070 0.118 0.000 2.470 324 H HA -0.015 4.542 4.556 0.001 0.000 0.289 324 H C 2.301 177.621 175.328 -0.013 0.000 1.033 324 H CA 0.838 56.911 56.048 0.041 0.000 1.331 324 H CB 0.132 29.901 29.762 0.013 0.000 1.414 324 H HN 0.319 nan 8.280 nan 0.000 0.545 325 N N 0.051 118.828 118.700 0.129 0.000 2.043 325 N HA -0.135 4.606 4.740 0.001 0.000 0.193 325 N C 1.801 177.294 175.510 -0.028 0.000 1.037 325 N CA 1.945 54.998 53.050 0.005 0.000 0.851 325 N CB -0.589 37.881 38.487 -0.029 0.000 1.027 325 N HN 0.320 nan 8.380 nan 0.000 0.422 326 T N 0.897 115.510 114.554 0.099 0.000 2.788 326 T HA -0.172 4.179 4.350 0.001 0.000 0.268 326 T C 1.840 176.406 174.700 -0.223 0.000 1.044 326 T CA 1.139 63.290 62.100 0.085 0.000 1.139 326 T CB -0.193 68.864 68.868 0.315 0.000 0.867 326 T HN 0.372 nan 8.240 nan 0.000 0.454 327 Q N 0.160 119.730 119.800 -0.383 0.000 2.050 327 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 327 Q C 2.316 178.049 176.000 -0.444 0.000 0.980 327 Q CA 1.102 56.370 55.803 -0.890 0.000 0.840 327 Q CB -0.234 28.278 28.738 -0.376 0.000 0.898 327 Q HN 0.368 nan 8.270 nan 0.000 0.424 328 L N 0.704 121.794 121.223 -0.221 0.000 2.046 328 L HA -0.137 4.204 4.340 0.001 0.000 0.208 328 L C 2.060 178.843 176.870 -0.146 0.000 1.077 328 L CA 1.523 56.269 54.840 -0.158 0.000 0.747 328 L CB -0.577 41.408 42.059 -0.123 0.000 0.896 328 L HN 0.297 nan 8.230 nan 0.000 0.432 329 L N -1.897 119.224 121.223 -0.170 0.000 2.046 329 L HA -0.198 4.143 4.340 0.001 0.000 0.208 329 L C 2.392 179.292 176.870 0.050 0.000 1.077 329 L CA 0.963 55.738 54.840 -0.107 0.000 0.747 329 L CB -0.603 41.282 42.059 -0.291 0.000 0.896 329 L HN 0.073 nan 8.230 nan 0.000 0.432 330 V N -0.248 119.616 119.914 -0.083 0.000 2.515 330 V HA -0.231 3.890 4.120 0.001 0.000 0.250 330 V C 2.063 178.128 176.094 -0.049 0.000 1.058 330 V CA 1.764 64.041 62.300 -0.039 0.000 1.064 330 V CB -0.668 31.095 31.823 -0.100 0.000 0.675 330 V HN 0.472 nan 8.190 nan 0.000 0.461 331 N N 0.066 118.697 118.700 -0.115 0.000 2.520 331 N HA -0.093 4.647 4.740 0.001 0.000 0.185 331 N C 1.514 176.992 175.510 -0.054 0.000 1.068 331 N CA 1.084 54.086 53.050 -0.080 0.000 0.911 331 N CB -0.015 38.412 38.487 -0.100 0.000 0.961 331 N HN 0.374 nan 8.380 nan 0.000 0.446 332 S N -1.602 114.083 115.700 -0.024 0.000 2.557 332 S HA 0.343 4.814 4.470 0.001 0.000 0.223 332 S C 1.043 175.581 174.600 -0.103 0.000 0.969 332 S CA 0.216 58.393 58.200 -0.038 0.000 0.927 332 S CB 0.632 63.856 63.200 0.039 0.000 0.806 332 S HN 0.529 nan 8.310 nan 0.000 0.489 333 G N 1.113 109.870 108.800 -0.071 0.000 2.176 333 G HA2 -0.230 3.731 3.960 0.001 0.000 0.232 333 G HA3 -0.230 3.731 3.960 0.001 0.000 0.232 333 G C -0.048 174.745 174.900 -0.178 0.000 0.986 333 G CA -0.531 44.485 45.100 -0.140 0.000 0.643 333 G HN 0.425 nan 8.290 nan 0.000 0.522 334 F N 0.974 120.888 119.950 -0.059 0.000 2.382 334 F HA 0.527 5.055 4.527 0.001 0.000 0.331 334 F C 1.682 177.486 175.800 0.007 0.000 1.121 334 F CA 0.960 58.940 58.000 -0.034 0.000 1.183 334 F CB 0.813 39.764 39.000 -0.081 0.000 1.207 334 F HN 0.733 nan 8.300 nan 0.000 0.555 335 G N 1.733 110.675 108.800 0.237 0.000 2.594 335 G HA2 -0.301 3.660 3.960 0.001 0.000 0.297 335 G HA3 -0.301 3.660 3.960 0.001 0.000 0.297 335 G C -0.718 174.255 174.900 0.121 0.000 1.273 335 G CA 0.085 45.288 45.100 0.172 0.000 0.974 335 G HN 0.815 nan 8.290 nan 0.000 0.552 336 Q N -1.173 118.703 119.800 0.128 0.000 2.305 336 Q HA 0.627 4.968 4.340 0.001 0.000 0.271 336 Q C -1.041 175.042 176.000 0.139 0.000 1.046 336 Q CA -0.986 54.874 55.803 0.096 0.000 0.798 336 Q CB 1.821 30.596 28.738 0.061 0.000 1.286 336 Q HN 0.732 nan 8.270 nan 0.000 0.435 337 L N 3.111 124.406 121.223 0.119 0.000 2.395 337 L HA 0.761 5.101 4.340 0.001 0.000 0.269 337 L C 0.343 177.299 176.870 0.145 0.000 1.133 337 L CA 1.743 56.683 54.840 0.166 0.000 0.812 337 L CB 1.179 43.311 42.059 0.121 0.000 1.125 337 L HN 0.840 nan 8.230 nan 0.000 0.452 338 G N 3.343 112.287 108.800 0.240 0.000 2.685 338 G HA2 -0.210 3.751 3.960 0.001 0.000 0.387 338 G HA3 -0.210 3.751 3.960 0.001 0.000 0.387 338 G C -0.536 174.260 174.900 -0.172 0.000 1.324 338 G CA -0.263 44.931 45.100 0.157 0.000 0.878 338 G HN 0.888 nan 8.290 nan 0.000 0.527 339 R N 0.793 120.935 120.500 -0.596 0.000 2.502 339 R HA 0.351 4.692 4.340 0.001 0.000 0.292 339 R C -1.836 174.026 176.300 -0.729 0.000 0.998 339 R CA -0.521 54.801 56.100 -1.297 0.000 1.056 339 R CB -0.031 29.792 30.300 -0.795 0.000 0.939 339 R HN 0.361 nan 8.270 nan 0.000 0.411 340 P HA -0.041 nan 4.420 nan 0.000 0.266 340 P C -1.275 175.871 177.300 -0.258 0.000 1.195 340 P CA 0.260 63.134 63.100 -0.377 0.000 0.768 340 P CB 0.423 31.930 31.700 -0.321 0.000 0.838 341 N N 2.761 121.369 118.700 -0.154 0.000 2.621 341 N HA 0.185 4.925 4.740 0.001 0.000 0.271 341 N C -2.168 173.302 175.510 -0.067 0.000 1.181 341 N CA -1.644 51.341 53.050 -0.109 0.000 0.805 341 N CB 1.268 39.695 38.487 -0.099 0.000 1.351 341 N HN 0.045 nan 8.380 nan 0.000 0.539 342 P HA -0.048 nan 4.420 nan 0.000 0.218 342 P C 1.173 178.458 177.300 -0.025 0.000 1.149 342 P CA 0.806 63.885 63.100 -0.035 0.000 0.817 342 P CB 0.256 31.936 31.700 -0.035 0.000 0.785 343 A N -0.703 122.099 122.820 -0.029 0.000 2.024 343 A HA -0.157 4.163 4.320 0.001 0.000 0.220 343 A C 1.486 179.059 177.584 -0.018 0.000 1.164 343 A CA 1.416 53.440 52.037 -0.022 0.000 0.643 343 A CB -0.961 18.024 19.000 -0.025 0.000 0.806 343 A HN 0.182 nan 8.150 nan 0.000 0.451 344 N N -0.340 118.347 118.700 -0.021 0.000 2.790 344 N HA 0.309 5.050 4.740 0.001 0.000 0.256 344 N C -3.409 172.096 175.510 -0.010 0.000 1.409 344 N CA -2.068 50.974 53.050 -0.015 0.000 0.799 344 N CB 0.833 39.309 38.487 -0.019 0.000 1.170 344 N HN -0.010 nan 8.380 nan 0.000 0.507 345 P HA 0.340 nan 4.420 nan 0.000 0.275 345 P C -2.561 174.751 177.300 0.020 0.000 1.228 345 P CA -0.961 62.146 63.100 0.011 0.000 0.786 345 P CB -0.075 31.635 31.700 0.016 0.000 0.927 346 P HA 0.069 nan 4.420 nan 0.000 0.271 346 P C 0.844 178.172 177.300 0.046 0.000 1.218 346 P CA -0.004 63.123 63.100 0.045 0.000 0.780 346 P CB 0.633 32.377 31.700 0.073 0.000 0.901 347 E N 2.084 122.305 120.200 0.035 0.000 2.072 347 E HA -0.076 4.275 4.350 0.001 0.000 0.191 347 E C -0.131 176.506 176.600 0.061 0.000 0.985 347 E CA 0.770 57.189 56.400 0.033 0.000 0.801 347 E CB 0.041 29.747 29.700 0.010 0.000 0.750 347 E HN 0.381 nan 8.360 nan 0.000 0.452 348 L N 1.413 122.685 121.223 0.082 0.000 2.322 348 L HA 0.294 4.635 4.340 0.001 0.000 0.281 348 L C -0.060 176.941 176.870 0.219 0.000 1.014 348 L CA -0.771 54.163 54.840 0.158 0.000 0.815 348 L CB 1.741 43.871 42.059 0.119 0.000 1.247 348 L HN 0.171 nan 8.230 nan 0.000 0.421 349 L N 3.799 125.167 121.223 0.241 0.000 3.713 349 L HA -0.174 4.166 4.340 0.001 0.000 0.499 349 L C -1.438 175.540 176.870 0.181 0.000 1.281 349 L CA -0.496 54.481 54.840 0.228 0.000 0.796 349 L CB -0.860 41.352 42.059 0.255 0.000 1.535 349 L HN 0.598 nan 8.230 nan 0.000 0.851 350 P HA -0.117 nan 4.420 nan 0.000 0.228 350 P C 1.190 178.583 177.300 0.154 0.000 1.151 350 P CA 1.061 64.237 63.100 0.126 0.000 0.770 350 P CB 0.334 32.091 31.700 0.095 0.000 0.786 351 S N -0.775 115.035 115.700 0.184 0.000 2.575 351 S HA 0.084 4.555 4.470 0.001 0.000 0.215 351 S C 0.778 175.528 174.600 0.251 0.000 0.966 351 S CA -0.454 57.899 58.200 0.254 0.000 0.911 351 S CB -0.594 62.752 63.200 0.245 0.000 0.780 351 S HN 0.073 nan 8.310 nan 0.000 0.514 352 L N 2.504 123.853 121.223 0.210 0.000 2.559 352 L HA 0.392 4.732 4.340 0.001 0.000 0.274 352 L C 1.125 178.128 176.870 0.222 0.000 1.205 352 L CA 1.144 56.108 54.840 0.208 0.000 0.907 352 L CB -0.403 41.764 42.059 0.181 0.000 1.153 352 L HN 0.342 nan 8.230 nan 0.000 0.490 353 G N 2.458 111.398 108.800 0.233 0.000 2.148 353 G HA2 -0.256 3.705 3.960 0.001 0.000 0.254 353 G HA3 -0.256 3.705 3.960 0.001 0.000 0.254 353 G C 0.349 175.363 174.900 0.191 0.000 0.981 353 G CA 0.333 45.569 45.100 0.227 0.000 0.670 353 G HN 0.846 nan 8.290 nan 0.000 0.528 354 S N -1.671 114.145 115.700 0.193 0.000 2.648 354 S HA 0.668 5.139 4.470 0.001 0.000 0.305 354 S C 0.319 175.036 174.600 0.194 0.000 1.094 354 S CA 0.004 58.246 58.200 0.070 0.000 0.983 354 S CB 1.049 64.200 63.200 -0.082 0.000 1.101 354 S HN 0.939 nan 8.310 nan 0.000 0.514 355 Y N -0.829 119.537 120.300 0.111 0.000 4.177 355 Y HA -0.207 4.344 4.550 0.001 0.000 0.227 355 Y C 0.516 176.496 175.900 0.134 0.000 1.154 355 Y CA 0.236 58.400 58.100 0.107 0.000 1.887 355 Y CB -2.170 36.348 38.460 0.096 0.000 1.594 355 Y HN 0.625 nan 8.280 nan 0.000 0.668 356 I N -0.036 120.677 120.570 0.238 0.000 2.696 356 I HA 0.471 4.641 4.170 0.001 0.000 0.284 356 I C 0.674 176.955 176.117 0.273 0.000 1.129 356 I CA 0.401 61.844 61.300 0.238 0.000 1.410 356 I CB 1.331 39.468 38.000 0.229 0.000 1.399 356 I HN 0.211 nan 8.210 nan 0.000 0.579 357 T N 1.869 116.545 114.554 0.204 0.000 2.841 357 T HA 0.659 5.010 4.350 0.001 0.000 0.283 357 T C -0.651 174.069 174.700 0.033 0.000 1.000 357 T CA -0.675 61.531 62.100 0.177 0.000 0.977 357 T CB 2.051 70.972 68.868 0.090 0.000 0.979 357 T HN 0.822 nan 8.240 nan 0.000 0.446 358 E N 1.440 121.641 120.200 0.001 0.000 2.340 358 E HA 0.353 4.703 4.350 0.001 0.000 0.273 358 E C -1.002 175.709 176.600 0.185 0.000 0.891 358 E CA -0.598 55.757 56.400 -0.075 0.000 0.757 358 E CB 2.032 31.470 29.700 -0.438 0.000 1.231 358 E HN 0.711 nan 8.360 nan 0.000 0.439 359 Q N 1.216 121.114 119.800 0.163 0.000 2.314 359 Q HA 0.372 4.712 4.340 0.001 0.000 0.258 359 Q C -0.423 175.760 176.000 0.307 0.000 0.954 359 Q CA -0.208 55.735 55.803 0.234 0.000 0.890 359 Q CB 1.089 29.973 28.738 0.243 0.000 1.210 359 Q HN 0.482 nan 8.270 nan 0.000 0.410 360 S N 1.828 117.626 115.700 0.164 0.000 2.562 360 S HA 0.262 4.733 4.470 0.001 0.000 0.281 360 S C -0.574 174.065 174.600 0.066 0.000 1.333 360 S CA -0.419 57.755 58.200 -0.044 0.000 1.052 360 S CB 0.357 63.436 63.200 -0.202 0.000 0.884 360 S HN 0.376 nan 8.310 nan 0.000 0.506 361 L N 4.611 125.846 121.223 0.021 0.000 2.409 361 L HA 0.717 5.058 4.340 0.001 0.000 0.272 361 L C -0.801 175.935 176.870 -0.224 0.000 0.980 361 L CA -0.649 54.115 54.840 -0.126 0.000 0.826 361 L CB 1.661 43.641 42.059 -0.131 0.000 1.268 361 L HN 0.485 nan 8.230 nan 0.000 0.407 362 V N 2.024 121.727 119.914 -0.350 0.000 2.715 362 V HA 0.754 4.875 4.120 0.001 0.000 0.310 362 V C -1.034 174.926 176.094 -0.225 0.000 1.054 362 V CA -0.700 61.321 62.300 -0.466 0.000 0.928 362 V CB 1.689 33.040 31.823 -0.786 0.000 1.007 362 V HN 0.806 nan 8.190 nan 0.000 0.437 363 F N 4.511 124.250 119.950 -0.353 0.000 2.591 363 F HA 0.868 5.396 4.527 0.001 0.000 0.309 363 F C -0.387 175.275 175.800 -0.230 0.000 1.098 363 F CA -0.209 57.659 58.000 -0.220 0.000 0.937 363 F CB 1.539 40.452 39.000 -0.145 0.000 1.250 363 F HN 1.209 nan 8.300 nan 0.000 0.447 364 C N 2.792 121.457 119.300 -1.058 0.000 3.332 364 C HA 0.816 5.277 4.460 0.001 0.000 0.329 364 C C -1.657 172.737 174.990 -0.993 0.000 1.434 364 C CA -0.683 57.665 59.018 -1.116 0.000 1.314 364 C CB 1.697 29.043 27.740 -0.657 0.000 1.664 364 C HN 0.961 nan 8.230 nan 0.000 0.457 365 Q N 0.594 120.053 119.800 -0.567 0.000 2.387 365 Q HA 0.754 5.095 4.340 0.001 0.000 0.273 365 Q C -0.476 175.529 176.000 0.009 0.000 1.089 365 Q CA -0.201 55.503 55.803 -0.165 0.000 0.824 365 Q CB 2.676 31.307 28.738 -0.178 0.000 1.367 365 Q HN 0.944 nan 8.270 nan 0.000 0.443 366 T N -2.506 112.135 114.554 0.145 0.000 2.924 366 T HA 0.713 5.064 4.350 0.001 0.000 0.291 366 T C -0.551 174.198 174.700 0.081 0.000 1.045 366 T CA -0.726 61.431 62.100 0.095 0.000 1.015 366 T CB 1.228 70.159 68.868 0.104 0.000 1.103 366 T HN 0.259 nan 8.240 nan 0.000 0.496 367 V N 2.728 122.659 119.914 0.028 0.000 2.384 367 V HA 0.401 4.522 4.120 0.001 0.000 0.287 367 V C 0.298 176.396 176.094 0.008 0.000 1.020 367 V CA -0.916 61.394 62.300 0.016 0.000 0.850 367 V CB 1.117 32.940 31.823 0.000 0.000 0.987 367 V HN 1.025 nan 8.190 nan 0.000 0.436 368 M N 4.740 124.353 119.600 0.021 0.000 2.248 368 M HA 0.095 4.575 4.480 0.001 0.000 0.343 368 M C 0.878 177.179 176.300 0.002 0.000 1.243 368 M CA 0.737 56.050 55.300 0.023 0.000 1.025 368 M CB 0.639 33.252 32.600 0.023 0.000 1.759 368 M HN 0.928 nan 8.290 nan 0.000 0.452 369 S N 2.444 118.143 115.700 -0.002 0.000 2.572 369 S HA 0.092 4.563 4.470 0.001 0.000 0.279 369 S C 0.999 175.597 174.600 -0.004 0.000 1.341 369 S CA -0.166 58.025 58.200 -0.016 0.000 1.043 369 S CB 0.625 63.810 63.200 -0.024 0.000 0.887 369 S HN 0.803 nan 8.310 nan 0.000 0.516 370 T N 1.962 116.511 114.554 -0.009 0.000 2.699 370 T HA -0.142 4.208 4.350 0.001 0.000 0.268 370 T C 1.629 176.333 174.700 0.007 0.000 1.036 370 T CA 1.909 64.009 62.100 -0.000 0.000 1.147 370 T CB -0.460 68.405 68.868 -0.005 0.000 0.862 370 T HN 0.764 nan 8.240 nan 0.000 0.446 371 E N 0.531 120.732 120.200 0.001 0.000 2.077 371 E HA -0.069 4.282 4.350 0.001 0.000 0.193 371 E C 2.272 178.887 176.600 0.025 0.000 0.989 371 E CA 0.889 57.293 56.400 0.007 0.000 0.800 371 E CB -0.256 29.441 29.700 -0.005 0.000 0.746 371 E HN 0.439 nan 8.360 nan 0.000 0.452 372 L N 0.757 121.997 121.223 0.028 0.000 2.056 372 L HA -0.181 4.160 4.340 0.001 0.000 0.207 372 L C 2.435 179.344 176.870 0.065 0.000 1.078 372 L CA 0.487 55.359 54.840 0.053 0.000 0.749 372 L CB -0.260 41.830 42.059 0.051 0.000 0.901 372 L HN 0.187 nan 8.230 nan 0.000 0.433 373 I N -0.024 120.571 120.570 0.042 0.000 2.179 373 I HA -0.284 3.886 4.170 0.001 0.000 0.242 373 I C 2.156 178.303 176.117 0.051 0.000 1.088 373 I CA 1.524 62.846 61.300 0.036 0.000 1.357 373 I CB -1.129 36.881 38.000 0.017 0.000 1.051 373 I HN 0.280 nan 8.210 nan 0.000 0.409 374 D N 0.807 121.236 120.400 0.048 0.000 2.149 374 D HA -0.146 4.495 4.640 0.001 0.000 0.198 374 D C 2.364 178.712 176.300 0.081 0.000 0.990 374 D CA 1.714 55.747 54.000 0.054 0.000 0.839 374 D CB -0.134 40.688 40.800 0.037 0.000 0.948 374 D HN 0.382 nan 8.370 nan 0.000 0.460 375 S N -0.071 115.686 115.700 0.096 0.000 2.419 375 S HA -0.109 4.361 4.470 0.001 0.000 0.233 375 S C 2.162 176.918 174.600 0.261 0.000 1.016 375 S CA 0.702 58.989 58.200 0.145 0.000 0.974 375 S CB -0.518 62.758 63.200 0.126 0.000 0.786 375 S HN 0.088 nan 8.310 nan 0.000 0.492 376 V N 2.988 123.032 119.914 0.217 0.000 2.392 376 V HA -0.174 3.947 4.120 0.001 0.000 0.249 376 V C 2.202 178.440 176.094 0.240 0.000 1.059 376 V CA 2.167 64.621 62.300 0.257 0.000 1.051 376 V CB -0.832 31.052 31.823 0.102 0.000 0.658 376 V HN 0.831 nan 8.190 nan 0.000 0.455 377 K N 0.179 120.676 120.400 0.162 0.000 2.514 377 K HA 0.188 4.509 4.320 0.001 0.000 0.207 377 K C 1.568 178.234 176.600 0.111 0.000 1.035 377 K CA 0.674 57.038 56.287 0.129 0.000 1.113 377 K CB 0.227 32.783 32.500 0.094 0.000 0.846 377 K HN 0.401 nan 8.250 nan 0.000 0.491 378 S N 0.787 116.567 115.700 0.133 0.000 2.440 378 S HA -0.166 4.305 4.470 0.001 0.000 0.238 378 S C 0.909 175.522 174.600 0.023 0.000 1.010 378 S CA 1.293 59.530 58.200 0.062 0.000 0.972 378 S CB -0.244 62.970 63.200 0.024 0.000 0.774 378 S HN 0.312 nan 8.310 nan 0.000 0.501 379 D N 0.643 121.067 120.400 0.041 0.000 2.349 379 D HA 0.236 4.877 4.640 0.001 0.000 0.214 379 D C 0.148 176.486 176.300 0.064 0.000 1.063 379 D CA 0.236 54.245 54.000 0.016 0.000 0.847 379 D CB 0.032 40.818 40.800 -0.024 0.000 0.933 379 D HN 0.387 nan 8.370 nan 0.000 0.513 380 M N 0.466 120.106 119.600 0.067 0.000 2.249 380 M HA 0.229 4.710 4.480 0.001 0.000 0.351 380 M C 0.290 176.617 176.300 0.045 0.000 1.180 380 M CA 0.032 55.379 55.300 0.078 0.000 1.127 380 M CB 1.105 33.744 32.600 0.066 0.000 1.546 380 M HN -0.338 nan 8.290 nan 0.000 0.461 381 T N 4.367 118.940 114.554 0.033 0.000 2.749 381 T HA 0.674 5.025 4.350 0.001 0.000 0.287 381 T C 0.048 174.729 174.700 -0.030 0.000 0.970 381 T CA -0.347 61.754 62.100 0.003 0.000 0.980 381 T CB 0.519 69.385 68.868 -0.004 0.000 0.924 381 T HN 0.432 nan 8.240 nan 0.000 0.456 382 I N 3.448 124.001 120.570 -0.028 0.000 2.389 382 I HA 0.489 4.659 4.170 0.001 0.000 0.288 382 I C 0.308 176.403 176.117 -0.037 0.000 0.999 382 I CA -0.765 60.495 61.300 -0.067 0.000 1.129 382 I CB 1.458 39.458 38.000 -0.002 0.000 1.288 382 I HN 0.228 nan 8.210 nan 0.000 0.444 383 R N 4.075 124.524 120.500 -0.084 0.000 2.534 383 R HA 0.701 5.041 4.340 0.001 0.000 0.301 383 R C 0.024 176.351 176.300 0.045 0.000 0.961 383 R CA -0.101 55.987 56.100 -0.021 0.000 0.871 383 R CB 2.140 32.414 30.300 -0.045 0.000 1.170 383 R HN 0.925 nan 8.270 nan 0.000 0.446 384 G N 1.290 110.151 108.800 0.101 0.000 2.615 384 G HA2 -0.264 3.697 3.960 0.001 0.000 0.218 384 G HA3 -0.264 3.697 3.960 0.001 0.000 0.218 384 G C -0.886 174.159 174.900 0.241 0.000 1.339 384 G CA -0.267 44.928 45.100 0.159 0.000 0.884 384 G HN 0.654 nan 8.290 nan 0.000 0.559 385 T N -0.727 113.947 114.554 0.201 0.000 2.841 385 T HA 0.680 5.031 4.350 0.001 0.000 0.285 385 T C -2.843 171.765 174.700 -0.153 0.000 0.991 385 T CA -1.385 60.745 62.100 0.050 0.000 0.966 385 T CB 2.405 71.280 68.868 0.012 0.000 0.962 385 T HN 0.522 nan 8.240 nan 0.000 0.438 386 P HA 0.274 nan 4.420 nan 0.000 0.264 386 P C 1.273 178.341 177.300 -0.386 0.000 1.183 386 P CA 1.273 63.809 63.100 -0.941 0.000 0.763 386 P CB 0.216 31.462 31.700 -0.757 0.000 0.807 387 G N 1.470 110.098 108.800 -0.285 0.000 2.213 387 G HA2 -0.215 3.746 3.960 0.001 0.000 0.236 387 G HA3 -0.215 3.746 3.960 0.001 0.000 0.236 387 G C 0.025 174.894 174.900 -0.052 0.000 0.991 387 G CA -0.194 44.834 45.100 -0.121 0.000 0.629 387 G HN 0.550 nan 8.290 nan 0.000 0.517 388 E N -0.434 119.747 120.200 -0.032 0.000 2.222 388 E HA 0.639 4.990 4.350 0.001 0.000 0.267 388 E C 1.168 177.803 176.600 0.058 0.000 0.963 388 E CA -1.083 55.326 56.400 0.015 0.000 0.837 388 E CB 1.513 31.221 29.700 0.014 0.000 1.183 388 E HN -0.023 nan 8.360 nan 0.000 0.403 389 L N 1.485 122.734 121.223 0.043 0.000 2.058 389 L HA -0.301 4.040 4.340 0.001 0.000 0.226 389 L C 2.036 178.943 176.870 0.061 0.000 1.089 389 L CA 2.604 57.470 54.840 0.044 0.000 0.799 389 L CB -1.100 40.976 42.059 0.028 0.000 0.900 389 L HN 0.791 nan 8.230 nan 0.000 0.442 390 T N -4.499 110.098 114.554 0.071 0.000 3.107 390 T HA -0.017 4.334 4.350 0.001 0.000 0.249 390 T C 0.515 175.283 174.700 0.112 0.000 1.096 390 T CA -0.416 61.725 62.100 0.069 0.000 1.012 390 T CB -0.641 68.258 68.868 0.052 0.000 0.977 390 T HN 0.120 nan 8.240 nan 0.000 0.527 391 Y N 2.879 123.179 120.300 -0.001 0.000 2.717 391 Y HA 0.386 4.937 4.550 0.001 0.000 0.330 391 Y C 0.210 176.111 175.900 0.000 0.000 1.217 391 Y CA -0.557 57.543 58.100 -0.000 0.000 1.506 391 Y CB 0.226 38.685 38.460 -0.003 0.000 1.268 391 Y HN 0.150 nan 8.280 nan 0.000 0.561 392 S N 4.991 120.397 115.700 -0.489 0.000 2.614 392 S HA 0.683 5.153 4.470 0.001 0.000 0.275 392 S C -1.969 172.328 174.600 -0.505 0.000 1.161 392 S CA -0.715 57.252 58.200 -0.388 0.000 0.969 392 S CB 0.698 63.797 63.200 -0.169 0.000 1.059 392 S HN 0.450 nan 8.310 nan 0.000 0.482 393 V N 4.715 124.400 119.914 -0.383 0.000 2.407 393 V HA 0.723 4.844 4.120 0.001 0.000 0.291 393 V C 0.001 176.051 176.094 -0.073 0.000 1.018 393 V CA -0.476 61.686 62.300 -0.230 0.000 0.842 393 V CB 1.358 33.065 31.823 -0.194 0.000 0.996 393 V HN 0.998 nan 8.190 nan 0.000 0.426 394 T N 1.794 116.336 114.554 -0.020 0.000 2.896 394 T HA 0.861 5.211 4.350 0.001 0.000 0.297 394 T C -0.990 173.781 174.700 0.119 0.000 1.108 394 T CA -0.748 61.362 62.100 0.017 0.000 1.004 394 T CB 2.308 71.144 68.868 -0.053 0.000 1.159 394 T HN 0.746 nan 8.240 nan 0.000 0.499 395 Y N -1.525 118.764 120.300 -0.018 0.000 2.638 395 Y HA 0.805 5.355 4.550 0.001 0.000 0.339 395 Y C -0.816 175.075 175.900 -0.014 0.000 1.084 395 Y CA -1.333 56.760 58.100 -0.013 0.000 1.068 395 Y CB 0.920 39.380 38.460 -0.000 0.000 1.294 395 Y HN 0.628 nan 8.280 nan 0.000 0.480 396 T N 4.010 118.570 114.554 0.010 0.000 2.781 396 T HA 0.397 4.747 4.350 0.001 0.000 0.305 396 T C -2.807 171.906 174.700 0.021 0.000 1.001 396 T CA -1.365 60.684 62.100 -0.084 0.000 0.950 396 T CB 0.685 69.541 68.868 -0.021 0.000 0.955 396 T HN 0.362 nan 8.240 nan 0.000 0.471 397 P HA 0.218 nan 4.420 nan 0.000 0.265 397 P C 1.147 178.490 177.300 0.072 0.000 1.193 397 P CA 0.688 63.846 63.100 0.097 0.000 0.765 397 P CB 0.366 32.066 31.700 -0.001 0.000 0.823 398 G N 1.831 110.688 108.800 0.095 0.000 2.189 398 G HA2 -0.257 3.704 3.960 0.001 0.000 0.267 398 G HA3 -0.257 3.704 3.960 0.001 0.000 0.267 398 G C 0.492 175.406 174.900 0.023 0.000 0.975 398 G CA 0.083 45.211 45.100 0.047 0.000 0.644 398 G HN 0.872 nan 8.290 nan 0.000 0.537 399 A N 0.602 123.439 122.820 0.029 0.000 2.546 399 A HA 0.596 4.917 4.320 0.001 0.000 0.243 399 A C 1.768 179.343 177.584 -0.016 0.000 1.063 399 A CA 1.375 53.415 52.037 0.006 0.000 0.757 399 A CB 0.281 19.288 19.000 0.012 0.000 0.991 399 A HN 1.772 nan 8.150 nan 0.000 0.503 400 S N 1.556 117.244 115.700 -0.021 0.000 2.453 400 S HA -0.143 4.328 4.470 0.001 0.000 0.231 400 S C 1.455 176.025 174.600 -0.050 0.000 1.005 400 S CA 1.570 59.750 58.200 -0.032 0.000 0.949 400 S CB -0.780 62.405 63.200 -0.026 0.000 0.774 400 S HN 1.162 nan 8.310 nan 0.000 0.510 401 T N -0.734 113.791 114.554 -0.049 0.000 3.113 401 T HA 0.170 4.521 4.350 0.001 0.000 0.256 401 T C 0.462 175.104 174.700 -0.097 0.000 1.131 401 T CA -0.307 61.754 62.100 -0.065 0.000 1.074 401 T CB -0.664 68.175 68.868 -0.049 0.000 0.944 401 T HN 0.227 nan 8.240 nan 0.000 0.516 402 N N 2.321 120.964 118.700 -0.096 0.000 2.454 402 N HA 0.193 4.934 4.740 0.001 0.000 0.260 402 N C 0.748 176.102 175.510 -0.259 0.000 1.218 402 N CA -0.013 52.947 53.050 -0.150 0.000 0.904 402 N CB 1.121 39.542 38.487 -0.111 0.000 1.065 402 N HN 0.223 nan 8.380 nan 0.000 0.462 403 K N 1.161 121.313 120.400 -0.414 0.000 2.296 403 K HA 0.045 4.366 4.320 0.001 0.000 0.200 403 K C 0.030 176.093 176.600 -0.895 0.000 1.048 403 K CA 1.011 56.907 56.287 -0.651 0.000 0.966 403 K CB 0.081 32.090 32.500 -0.818 0.000 0.754 403 K HN 0.559 nan 8.250 nan 0.000 0.466 404 H N -0.902 117.851 119.070 -0.529 0.000 2.797 404 H HA 0.323 4.879 4.556 0.001 0.000 0.372 404 H C -2.453 172.538 175.328 -0.561 0.000 1.168 404 H CA -2.735 52.831 56.048 -0.804 0.000 1.163 404 H CB 1.224 30.087 29.762 -1.500 0.000 1.778 404 H HN -0.147 nan 8.280 nan 0.000 0.551 405 P HA 0.033 nan 4.420 nan 0.000 0.274 405 P C 0.226 177.303 177.300 -0.371 0.000 1.246 405 P CA -0.279 62.608 63.100 -0.356 0.000 0.795 405 P CB 1.381 32.843 31.700 -0.397 0.000 1.006 406 D N 0.280 120.598 120.400 -0.137 0.000 2.149 406 D HA -0.146 4.495 4.640 0.001 0.000 0.198 406 D C 1.920 178.221 176.300 0.000 0.000 0.990 406 D CA 1.363 55.359 54.000 -0.007 0.000 0.839 406 D CB -0.515 40.394 40.800 0.181 0.000 0.948 406 D HN 0.610 nan 8.370 nan 0.000 0.460 407 W N 0.226 121.594 121.300 0.114 0.000 2.363 407 W HA -0.137 4.524 4.660 0.001 0.000 0.296 407 W C 1.977 178.568 176.519 0.119 0.000 1.212 407 W CA 0.161 57.571 57.345 0.108 0.000 1.260 407 W CB -1.383 28.136 29.460 0.097 0.000 1.131 407 W HN 0.062 nan 8.180 nan 0.000 0.530 408 W N 3.491 124.334 121.300 -0.761 0.000 2.378 408 W HA -0.166 4.495 4.660 0.001 0.000 0.313 408 W C 1.895 178.152 176.519 -0.435 0.000 1.197 408 W CA 1.721 58.615 57.345 -0.750 0.000 1.304 408 W CB -1.077 27.671 29.460 -1.187 0.000 1.148 408 W HN -0.125 nan 8.180 nan 0.000 0.494 409 N N 1.007 119.628 118.700 -0.130 0.000 2.205 409 N HA -0.209 4.532 4.740 0.001 0.000 0.186 409 N C 1.512 176.773 175.510 -0.415 0.000 1.015 409 N CA 1.976 54.754 53.050 -0.453 0.000 0.862 409 N CB -0.622 37.147 38.487 -1.197 0.000 0.986 409 N HN 0.265 nan 8.380 nan 0.000 0.429 410 E N 1.266 121.363 120.200 -0.172 0.000 2.072 410 E HA -0.052 4.299 4.350 0.001 0.000 0.191 410 E C 1.630 178.294 176.600 0.107 0.000 0.985 410 E CA 1.258 57.736 56.400 0.131 0.000 0.801 410 E CB 0.076 29.912 29.700 0.225 0.000 0.750 410 E HN 0.252 nan 8.360 nan 0.000 0.452 411 K N -0.505 119.941 120.400 0.077 0.000 2.057 411 K HA -0.084 4.237 4.320 0.001 0.000 0.207 411 K C 2.095 178.709 176.600 0.023 0.000 1.049 411 K CA 1.353 57.674 56.287 0.057 0.000 0.931 411 K CB -0.112 32.412 32.500 0.039 0.000 0.714 411 K HN 0.015 nan 8.250 nan 0.000 0.440 412 V N 2.061 121.954 119.914 -0.035 0.000 2.295 412 V HA -0.275 3.845 4.120 0.001 0.000 0.246 412 V C 2.390 178.528 176.094 0.073 0.000 1.049 412 V CA 1.697 63.991 62.300 -0.010 0.000 1.024 412 V CB -0.461 31.346 31.823 -0.026 0.000 0.648 412 V HN 0.348 nan 8.190 nan 0.000 0.447 413 K N 0.278 120.724 120.400 0.076 0.000 2.032 413 K HA -0.261 4.060 4.320 0.001 0.000 0.209 413 K C 2.010 178.669 176.600 0.097 0.000 1.048 413 K CA 2.152 58.507 56.287 0.113 0.000 0.927 413 K CB -0.256 32.372 32.500 0.213 0.000 0.712 413 K HN 0.434 nan 8.250 nan 0.000 0.441 414 N N 0.237 119.001 118.700 0.106 0.000 2.142 414 N HA -0.161 4.579 4.740 0.001 0.000 0.186 414 N C 1.744 177.306 175.510 0.088 0.000 1.023 414 N CA 1.322 54.424 53.050 0.088 0.000 0.852 414 N CB -0.666 37.880 38.487 0.099 0.000 0.998 414 N HN 0.424 nan 8.380 nan 0.000 0.424 415 H N 0.676 119.772 119.070 0.042 0.000 2.319 415 H HA 0.051 4.608 4.556 0.001 0.000 0.299 415 H C 1.991 177.357 175.328 0.063 0.000 1.092 415 H CA 1.898 57.977 56.048 0.052 0.000 1.302 415 H CB -0.114 29.599 29.762 -0.081 0.000 1.373 415 H HN 0.110 nan 8.280 nan 0.000 0.497 416 M N -0.855 118.743 119.600 -0.004 0.000 2.229 416 M HA -0.128 4.352 4.480 0.001 0.000 0.264 416 M C 1.747 178.091 176.300 0.073 0.000 1.063 416 M CA 1.050 56.358 55.300 0.015 0.000 1.114 416 M CB 0.076 32.754 32.600 0.130 0.000 1.387 416 M HN 0.354 nan 8.290 nan 0.000 0.420 417 M N -0.475 119.149 119.600 0.039 0.000 2.334 417 M HA -0.056 4.425 4.480 0.001 0.000 0.266 417 M C 1.836 178.115 176.300 -0.035 0.000 1.082 417 M CA 1.276 56.607 55.300 0.051 0.000 1.141 417 M CB -0.722 31.890 32.600 0.020 0.000 1.380 417 M HN 0.191 nan 8.290 nan 0.000 0.440 418 Q N -0.643 119.066 119.800 -0.152 0.000 2.398 418 Q HA 0.060 4.400 4.340 0.001 0.000 0.204 418 Q C 0.128 175.739 176.000 -0.647 0.000 0.932 418 Q CA 0.825 56.413 55.803 -0.358 0.000 0.916 418 Q CB 0.246 28.735 28.738 -0.415 0.000 1.024 418 Q HN 0.537 nan 8.270 nan 0.000 0.504 419 H N 0.376 119.351 119.070 -0.158 0.000 2.380 419 H HA 0.273 4.829 4.556 0.001 0.000 0.231 419 H C 0.193 175.426 175.328 -0.158 0.000 1.415 419 H CA -0.078 55.878 56.048 -0.154 0.000 1.433 419 H CB 0.482 30.080 29.762 -0.273 0.000 1.544 419 H HN 0.207 nan 8.280 nan 0.000 0.503 420 Q N 0.617 120.397 119.800 -0.033 0.000 2.472 420 Q HA -0.082 4.259 4.340 0.001 0.000 0.208 420 Q C 1.710 177.654 176.000 -0.094 0.000 0.958 420 Q CA 0.578 56.327 55.803 -0.090 0.000 0.932 420 Q CB 0.527 29.176 28.738 -0.148 0.000 1.007 420 Q HN 0.523 nan 8.270 nan 0.000 0.508 421 E N 0.909 121.103 120.200 -0.011 0.000 2.299 421 E HA -0.090 4.261 4.350 0.001 0.000 0.193 421 E C -0.192 176.436 176.600 0.047 0.000 0.998 421 E CA 0.432 56.839 56.400 0.012 0.000 0.851 421 E CB -0.063 29.666 29.700 0.049 0.000 0.795 421 E HN 0.144 nan 8.360 nan 0.000 0.492 422 D N 2.588 123.035 120.400 0.077 0.000 2.312 422 D HA 0.078 4.719 4.640 0.001 0.000 0.252 422 D C -1.449 174.898 176.300 0.078 0.000 1.150 422 D CA -1.790 52.282 54.000 0.120 0.000 0.870 422 D CB 1.480 42.378 40.800 0.162 0.000 1.153 422 D HN -0.128 nan 8.370 nan 0.000 0.457 423 P HA 0.068 nan 4.420 nan 0.000 0.245 423 P C -0.163 177.178 177.300 0.069 0.000 1.206 423 P CA 0.272 63.408 63.100 0.059 0.000 0.781 423 P CB 0.385 32.111 31.700 0.044 0.000 0.994 424 L N 1.624 122.900 121.223 0.088 0.000 2.334 424 L HA 0.375 4.716 4.340 0.001 0.000 0.272 424 L C -1.403 175.503 176.870 0.060 0.000 1.020 424 L CA -2.246 52.620 54.840 0.043 0.000 0.812 424 L CB 2.315 44.367 42.059 -0.012 0.000 1.264 424 L HN -0.292 nan 8.230 nan 0.000 0.439 425 P HA 0.102 nan 4.420 nan 0.000 0.255 425 P C 0.177 177.351 177.300 -0.211 0.000 1.248 425 P CA 0.473 63.577 63.100 0.006 0.000 0.807 425 P CB 0.405 32.116 31.700 0.020 0.000 1.150 426 I N 2.352 122.701 120.570 -0.368 0.000 2.371 426 I HA 0.219 4.389 4.170 0.001 0.000 0.290 426 I C -2.127 173.507 176.117 -0.804 0.000 1.028 426 I CA -2.776 58.254 61.300 -0.450 0.000 1.345 426 I CB 0.763 38.588 38.000 -0.291 0.000 1.407 426 I HN -0.240 nan 8.210 nan 0.000 0.501 427 P HA -0.005 nan 4.420 nan 0.000 0.267 427 P C 0.324 177.406 177.300 -0.363 0.000 1.200 427 P CA 0.020 62.779 63.100 -0.569 0.000 0.772 427 P CB 0.342 31.929 31.700 -0.188 0.000 0.855 428 F N 0.888 120.726 119.950 -0.187 0.000 2.161 428 F HA -0.144 4.384 4.527 0.001 0.000 0.300 428 F C 1.781 177.542 175.800 -0.064 0.000 1.089 428 F CA 1.628 59.561 58.000 -0.112 0.000 1.282 428 F CB -0.932 38.014 39.000 -0.088 0.000 1.010 428 F HN 0.414 nan 8.300 nan 0.000 0.485 429 E N -0.332 119.956 120.200 0.146 0.000 2.444 429 E HA -0.013 4.337 4.350 0.001 0.000 0.191 429 E C -0.190 176.436 176.600 0.044 0.000 1.041 429 E CA -0.216 56.238 56.400 0.090 0.000 0.883 429 E CB -0.243 29.513 29.700 0.092 0.000 1.024 429 E HN 0.202 nan 8.360 nan 0.000 0.470 430 D N 2.585 122.989 120.400 0.007 0.000 2.487 430 D HA 0.009 4.650 4.640 0.001 0.000 0.243 430 D C -2.283 174.038 176.300 0.035 0.000 1.154 430 D CA -1.396 52.596 54.000 -0.014 0.000 0.876 430 D CB 0.758 41.509 40.800 -0.082 0.000 1.161 430 D HN -0.127 nan 8.370 nan 0.000 0.478 431 P HA 0.046 nan 4.420 nan 0.000 0.271 431 P C -0.347 177.064 177.300 0.184 0.000 1.233 431 P CA -0.308 62.895 63.100 0.172 0.000 0.789 431 P CB 0.346 32.178 31.700 0.220 0.000 0.951 432 E N 1.687 122.003 120.200 0.192 0.000 2.392 432 E HA 0.182 4.533 4.350 0.001 0.000 0.259 432 E C -2.516 174.098 176.600 0.023 0.000 1.108 432 E CA -1.861 54.577 56.400 0.063 0.000 0.916 432 E CB -0.978 28.721 29.700 -0.002 0.000 0.989 432 E HN 0.211 nan 8.360 nan 0.000 0.432 433 P HA 0.090 nan 4.420 nan 0.000 0.272 433 P C -0.571 176.714 177.300 -0.025 0.000 1.223 433 P CA -0.020 63.139 63.100 0.098 0.000 0.784 433 P CB 0.402 32.115 31.700 0.023 0.000 0.923 434 Q N 0.840 120.721 119.800 0.134 0.000 3.662 434 Q HA 0.309 4.650 4.340 0.001 0.000 0.237 434 Q C -1.256 174.833 176.000 0.149 0.000 0.895 434 Q CA -0.245 55.521 55.803 -0.063 0.000 0.767 434 Q CB 1.183 29.628 28.738 -0.489 0.000 1.469 434 Q HN 0.170 nan 8.270 nan 0.000 0.424 435 V N 0.598 120.558 119.914 0.076 0.000 2.581 435 V HA 0.730 4.851 4.120 0.001 0.000 0.303 435 V C 0.112 176.216 176.094 0.016 0.000 1.041 435 V CA -0.447 61.899 62.300 0.076 0.000 0.907 435 V CB 2.095 33.907 31.823 -0.018 0.000 0.994 435 V HN 0.447 nan 8.190 nan 0.000 0.442 436 T N 1.798 116.390 114.554 0.064 0.000 2.916 436 T HA 0.464 4.814 4.350 0.001 0.000 0.305 436 T C -0.857 173.765 174.700 -0.129 0.000 1.119 436 T CA -0.304 61.773 62.100 -0.038 0.000 1.008 436 T CB 1.793 70.628 68.868 -0.055 0.000 1.129 436 T HN 0.814 nan 8.240 nan 0.000 0.480 437 T N 4.903 119.217 114.554 -0.401 0.000 2.756 437 T HA 0.597 4.948 4.350 0.001 0.000 0.290 437 T C -0.005 174.537 174.700 -0.263 0.000 0.985 437 T CA -0.586 61.117 62.100 -0.662 0.000 0.955 437 T CB -0.237 67.825 68.868 -1.343 0.000 0.930 437 T HN 0.495 nan 8.240 nan 0.000 0.451 438 L N 4.450 125.602 121.223 -0.117 0.000 2.452 438 L HA 0.391 4.732 4.340 0.001 0.000 0.267 438 L C 0.753 177.637 176.870 0.023 0.000 1.188 438 L CA -0.934 53.923 54.840 0.029 0.000 0.821 438 L CB 0.201 42.274 42.059 0.022 0.000 1.102 438 L HN 0.609 nan 8.230 nan 0.000 0.470 439 F N 2.772 122.651 119.950 -0.118 0.000 2.604 439 F HA -0.078 4.450 4.527 0.001 0.000 0.390 439 F C 0.252 175.798 175.800 -0.423 0.000 1.053 439 F CA 0.590 58.428 58.000 -0.269 0.000 1.256 439 F CB 0.096 38.986 39.000 -0.184 0.000 0.996 439 F HN 0.388 nan 8.300 nan 0.000 0.564 440 Q N 6.595 125.931 119.800 -0.773 0.000 2.501 440 Q HA 0.265 4.606 4.340 0.001 0.000 0.288 440 Q C -2.016 173.548 176.000 -0.726 0.000 1.051 440 Q CA -1.758 53.658 55.803 -0.644 0.000 0.788 440 Q CB 1.403 29.607 28.738 -0.890 0.000 1.469 440 Q HN 0.230 nan 8.270 nan 0.000 0.416 441 P HA -0.183 nan 4.420 nan 0.000 0.216 441 P C 1.155 178.237 177.300 -0.364 0.000 1.150 441 P CA 1.929 64.856 63.100 -0.290 0.000 0.843 441 P CB 0.237 31.858 31.700 -0.133 0.000 0.787 442 S N -1.517 113.966 115.700 -0.361 0.000 2.527 442 S HA -0.090 4.381 4.470 0.001 0.000 0.222 442 S C 0.532 174.949 174.600 -0.305 0.000 0.985 442 S CA 0.101 58.165 58.200 -0.227 0.000 0.921 442 S CB -1.245 61.923 63.200 -0.054 0.000 0.772 442 S HN 0.428 nan 8.310 nan 0.000 0.529 443 H N -1.256 117.373 119.070 -0.735 0.000 2.562 443 H HA 0.460 5.017 4.556 0.001 0.000 0.230 443 H C -3.197 170.959 175.328 -1.953 0.000 1.415 443 H CA -1.760 53.462 56.048 -1.376 0.000 1.454 443 H CB 0.352 29.579 29.762 -0.891 0.000 1.716 443 H HN 0.076 nan 8.280 nan 0.000 0.538 444 P HA 0.060 nan 4.420 nan 0.000 0.226 444 P C -1.217 175.443 177.300 -1.066 0.000 1.783 444 P CA 0.239 62.199 63.100 -1.899 0.000 0.980 444 P CB -1.074 30.062 31.700 -0.939 0.000 1.967 445 W N -0.232 120.725 121.300 -0.573 0.000 3.167 445 W HA 0.526 5.186 4.660 0.001 0.000 0.324 445 W C -0.807 175.791 176.519 0.132 0.000 1.230 445 W CA -1.353 55.987 57.345 -0.008 0.000 1.184 445 W CB 0.058 29.544 29.460 0.044 0.000 1.414 445 W HN -0.003 nan 8.180 nan 0.000 0.551 446 H N 1.217 120.539 119.070 0.420 0.000 2.562 446 H HA 0.650 5.207 4.556 0.001 0.000 0.352 446 H C -0.135 175.331 175.328 0.231 0.000 1.125 446 H CA 0.541 56.732 56.048 0.238 0.000 1.379 446 H CB 1.395 31.227 29.762 0.116 0.000 1.464 446 H HN 0.574 nan 8.280 nan 0.000 0.563 447 T N 2.197 116.387 114.554 -0.607 0.000 2.886 447 T HA 0.483 4.833 4.350 0.001 0.000 0.292 447 T C -0.745 173.629 174.700 -0.543 0.000 1.012 447 T CA -1.107 60.656 62.100 -0.562 0.000 0.982 447 T CB 1.524 69.972 68.868 -0.701 0.000 1.018 447 T HN 0.676 nan 8.240 nan 0.000 0.451 448 Q N 2.123 121.806 119.800 -0.195 0.000 2.292 448 Q HA 0.550 4.891 4.340 0.001 0.000 0.270 448 Q C -1.087 174.796 176.000 -0.195 0.000 1.024 448 Q CA -0.584 55.030 55.803 -0.314 0.000 0.768 448 Q CB 2.405 30.839 28.738 -0.506 0.000 1.250 448 Q HN 0.727 nan 8.270 nan 0.000 0.447 449 I N 3.857 124.276 120.570 -0.252 0.000 2.537 449 I HA 0.360 4.531 4.170 0.001 0.000 0.276 449 I C -0.360 175.638 176.117 -0.199 0.000 1.063 449 I CA -0.326 60.704 61.300 -0.450 0.000 1.144 449 I CB 0.209 37.824 38.000 -0.642 0.000 1.252 449 I HN 0.750 nan 8.210 nan 0.000 0.480 450 H N 3.525 122.408 119.070 -0.312 0.000 3.054 450 H HA 0.672 5.229 4.556 0.001 0.000 0.271 450 H C -1.151 174.097 175.328 -0.134 0.000 1.551 450 H CA -1.352 54.583 56.048 -0.188 0.000 1.196 450 H CB 1.454 31.127 29.762 -0.148 0.000 1.867 450 H HN 0.098 nan 8.280 nan 0.000 0.637 451 R N 0.884 121.203 120.500 -0.302 0.000 2.575 451 R HA 0.345 4.686 4.340 0.001 0.000 0.293 451 R C -1.480 174.568 176.300 -0.420 0.000 0.983 451 R CA -0.712 55.184 56.100 -0.339 0.000 0.887 451 R CB 1.978 32.212 30.300 -0.111 0.000 1.184 451 R HN 0.758 nan 8.270 nan 0.000 0.445 452 D N 0.435 120.604 120.400 -0.384 0.000 2.525 452 D HA 0.567 5.208 4.640 0.001 0.000 0.249 452 D C -0.675 175.609 176.300 -0.028 0.000 1.072 452 D CA -0.630 53.243 54.000 -0.211 0.000 1.067 452 D CB 1.767 42.457 40.800 -0.182 0.000 1.282 452 D HN 0.537 nan 8.370 nan 0.000 0.587 453 A N 0.560 123.393 122.820 0.021 0.000 2.511 453 A HA 0.399 4.720 4.320 0.001 0.000 0.242 453 A C -0.766 176.891 177.584 0.122 0.000 1.069 453 A CA 0.405 52.506 52.037 0.106 0.000 0.763 453 A CB -0.418 18.679 19.000 0.163 0.000 1.001 453 A HN 0.398 nan 8.150 nan 0.000 0.498 454 F N 1.614 121.509 119.950 -0.092 0.000 2.615 454 F HA 0.459 4.987 4.527 0.001 0.000 0.312 454 F C 0.160 175.795 175.800 -0.276 0.000 1.119 454 F CA -0.236 57.599 58.000 -0.275 0.000 0.979 454 F CB 1.914 40.612 39.000 -0.503 0.000 1.266 454 F HN 0.598 nan 8.300 nan 0.000 0.444 455 S N 4.480 119.652 115.700 -0.880 0.000 2.399 455 S HA 0.442 4.912 4.470 0.001 0.000 0.301 455 S C -1.121 173.157 174.600 -0.536 0.000 1.093 455 S CA -0.372 57.522 58.200 -0.509 0.000 1.077 455 S CB -0.331 62.640 63.200 -0.382 0.000 0.980 455 S HN 0.475 nan 8.310 nan 0.000 0.494 456 Y N 2.489 122.805 120.300 0.026 0.000 2.319 456 Y HA 0.499 5.050 4.550 0.001 0.000 0.328 456 Y C 1.523 177.467 175.900 0.074 0.000 1.133 456 Y CA 0.193 58.403 58.100 0.184 0.000 1.265 456 Y CB 0.586 39.188 38.460 0.237 0.000 1.218 456 Y HN 0.900 nan 8.280 nan 0.000 0.508 457 G N 0.979 109.921 108.800 0.237 0.000 2.699 457 G HA2 0.261 4.221 3.960 0.001 0.000 0.246 457 G HA3 0.261 4.221 3.960 0.001 0.000 0.246 457 G C 0.880 175.865 174.900 0.143 0.000 1.219 457 G CA -0.038 45.147 45.100 0.142 0.000 0.866 457 G HN 0.889 nan 8.290 nan 0.000 0.572 458 A N -0.148 122.726 122.820 0.089 0.000 1.933 458 A HA 0.013 4.334 4.320 0.001 0.000 0.218 458 A C 2.500 180.125 177.584 0.067 0.000 1.175 458 A CA 1.867 53.945 52.037 0.069 0.000 0.628 458 A CB -0.447 18.581 19.000 0.046 0.000 0.814 458 A HN 0.511 nan 8.150 nan 0.000 0.444 459 V N -0.202 119.756 119.914 0.073 0.000 2.323 459 V HA -0.266 3.855 4.120 0.001 0.000 0.244 459 V C 2.582 178.721 176.094 0.075 0.000 1.041 459 V CA 2.046 64.384 62.300 0.064 0.000 1.025 459 V CB -0.864 30.995 31.823 0.060 0.000 0.656 459 V HN 0.627 nan 8.190 nan 0.000 0.451 460 Q N -0.341 119.534 119.800 0.124 0.000 2.135 460 Q HA -0.288 4.053 4.340 0.001 0.000 0.204 460 Q C 2.228 178.260 176.000 0.054 0.000 0.981 460 Q CA 1.621 57.514 55.803 0.149 0.000 0.856 460 Q CB -0.246 28.700 28.738 0.346 0.000 0.902 460 Q HN 0.672 nan 8.270 nan 0.000 0.425 461 Q N -0.247 119.592 119.800 0.064 0.000 2.443 461 Q HA -0.115 4.226 4.340 0.001 0.000 0.213 461 Q C 1.900 177.887 176.000 -0.021 0.000 0.982 461 Q CA 0.785 56.586 55.803 -0.005 0.000 0.894 461 Q CB -0.055 28.708 28.738 0.041 0.000 0.947 461 Q HN 0.161 nan 8.270 nan 0.000 0.480 462 S N -0.228 115.471 115.700 -0.001 0.000 2.489 462 S HA 0.003 4.474 4.470 0.001 0.000 0.228 462 S C 0.697 175.287 174.600 -0.016 0.000 0.995 462 S CA 0.068 58.267 58.200 -0.002 0.000 0.934 462 S CB 0.282 63.489 63.200 0.013 0.000 0.771 462 S HN 0.135 nan 8.310 nan 0.000 0.522 463 I N 2.798 123.345 120.570 -0.038 0.000 2.331 463 I HA 0.266 4.437 4.170 0.001 0.000 0.292 463 I C 0.308 176.380 176.117 -0.076 0.000 0.998 463 I CA -0.891 60.382 61.300 -0.046 0.000 1.267 463 I CB 0.921 38.895 38.000 -0.043 0.000 1.386 463 I HN 0.169 nan 8.210 nan 0.000 0.476 464 D N 3.900 124.274 120.400 -0.042 0.000 2.531 464 D HA -0.112 4.529 4.640 0.001 0.000 0.239 464 D C 1.191 177.451 176.300 -0.068 0.000 1.144 464 D CA 0.410 54.389 54.000 -0.035 0.000 0.869 464 D CB 1.088 41.892 40.800 0.006 0.000 1.160 464 D HN 0.617 nan 8.370 nan 0.000 0.484 465 S N 4.012 119.659 115.700 -0.087 0.000 2.419 465 S HA -0.179 4.292 4.470 0.001 0.000 0.235 465 S C 1.743 176.315 174.600 -0.046 0.000 1.019 465 S CA 1.050 59.186 58.200 -0.107 0.000 0.982 465 S CB 0.060 63.205 63.200 -0.091 0.000 0.789 465 S HN 0.515 nan 8.310 nan 0.000 0.490 466 R N 0.121 120.609 120.500 -0.021 0.000 2.189 466 R HA 0.087 4.427 4.340 0.001 0.000 0.223 466 R C 1.942 178.228 176.300 -0.024 0.000 1.092 466 R CA 1.201 57.289 56.100 -0.021 0.000 0.989 466 R CB -0.294 29.987 30.300 -0.032 0.000 0.876 466 R HN 0.450 nan 8.270 nan 0.000 0.457 467 L N 0.321 121.532 121.223 -0.022 0.000 2.418 467 L HA 0.100 4.441 4.340 0.001 0.000 0.218 467 L C 0.783 177.657 176.870 0.006 0.000 1.125 467 L CA 0.253 55.087 54.840 -0.009 0.000 0.835 467 L CB 0.018 42.071 42.059 -0.010 0.000 0.953 467 L HN 0.058 nan 8.230 nan 0.000 0.454 468 I N 0.370 120.939 120.570 -0.003 0.000 2.396 468 I HA 0.215 4.386 4.170 0.001 0.000 0.292 468 I C -0.556 175.583 176.117 0.037 0.000 0.999 468 I CA -0.308 61.005 61.300 0.022 0.000 1.310 468 I CB 1.579 39.578 38.000 -0.002 0.000 1.404 468 I HN -0.273 nan 8.210 nan 0.000 0.496 469 V N 4.789 124.748 119.914 0.075 0.000 2.709 469 V HA 0.326 4.447 4.120 0.001 0.000 0.308 469 V C -0.828 175.284 176.094 0.030 0.000 1.062 469 V CA -0.890 61.424 62.300 0.022 0.000 0.901 469 V CB 2.143 33.981 31.823 0.024 0.000 1.003 469 V HN 0.570 nan 8.190 nan 0.000 0.425 470 D N 2.425 122.764 120.400 -0.101 0.000 2.210 470 D HA 0.473 5.113 4.640 0.001 0.000 0.249 470 D C -1.042 175.174 176.300 -0.140 0.000 1.062 470 D CA 0.122 54.095 54.000 -0.045 0.000 0.891 470 D CB 1.307 42.087 40.800 -0.033 0.000 1.186 470 D HN 0.450 nan 8.370 nan 0.000 0.432 471 W N 1.582 122.854 121.300 -0.047 0.000 2.475 471 W HA 0.445 5.106 4.660 0.001 0.000 0.320 471 W C 0.188 176.736 176.519 0.048 0.000 1.022 471 W CA -0.848 56.503 57.345 0.010 0.000 1.240 471 W CB 1.198 30.548 29.460 -0.183 0.000 1.328 471 W HN -0.066 nan 8.180 nan 0.000 0.439 472 R N 2.963 123.672 120.500 0.347 0.000 2.483 472 R HA 0.528 4.869 4.340 0.001 0.000 0.303 472 R C -1.523 174.945 176.300 0.280 0.000 0.987 472 R CA -0.850 55.348 56.100 0.164 0.000 0.881 472 R CB 1.619 31.977 30.300 0.096 0.000 1.177 472 R HN 0.161 nan 8.270 nan 0.000 0.451 473 F N 3.104 122.902 119.950 -0.252 0.000 2.482 473 F HA 0.506 5.034 4.527 0.001 0.000 0.331 473 F C -0.397 175.309 175.800 -0.156 0.000 1.115 473 F CA -1.553 56.399 58.000 -0.080 0.000 0.955 473 F CB 1.146 40.056 39.000 -0.150 0.000 1.136 473 F HN 0.297 nan 8.300 nan 0.000 0.452 474 F N 1.267 121.387 119.950 0.284 0.000 2.449 474 F HA 0.659 5.187 4.527 0.001 0.000 0.342 474 F C 0.617 176.602 175.800 0.308 0.000 1.127 474 F CA -1.222 56.938 58.000 0.266 0.000 0.975 474 F CB 1.469 40.651 39.000 0.303 0.000 1.146 474 F HN 0.518 nan 8.300 nan 0.000 0.444 475 G N 2.116 111.147 108.800 0.384 0.000 2.451 475 G HA2 0.623 4.584 3.960 0.001 0.000 0.303 475 G HA3 0.623 4.584 3.960 0.001 0.000 0.303 475 G C -0.787 174.282 174.900 0.281 0.000 1.166 475 G CA -1.056 44.250 45.100 0.344 0.000 0.884 475 G HN 0.712 nan 8.290 nan 0.000 0.514 476 R N -0.573 120.096 120.500 0.281 0.000 2.428 476 R HA 0.655 4.996 4.340 0.001 0.000 0.294 476 R C -0.960 175.425 176.300 0.141 0.000 1.000 476 R CA -0.557 55.631 56.100 0.147 0.000 0.960 476 R CB 1.221 31.631 30.300 0.184 0.000 1.076 476 R HN 0.260 nan 8.270 nan 0.000 0.475 477 T N 1.948 116.550 114.554 0.079 0.000 2.809 477 T HA 0.119 4.470 4.350 0.001 0.000 0.284 477 T C -0.718 174.053 174.700 0.119 0.000 0.992 477 T CA -0.644 61.556 62.100 0.166 0.000 0.957 477 T CB 1.312 70.358 68.868 0.297 0.000 0.942 477 T HN 0.665 nan 8.240 nan 0.000 0.439 478 E N 4.230 124.506 120.200 0.128 0.000 2.465 478 E HA 0.074 4.425 4.350 0.001 0.000 0.260 478 E C -2.213 174.465 176.600 0.129 0.000 0.980 478 E CA -1.425 55.043 56.400 0.113 0.000 0.927 478 E CB 0.459 30.218 29.700 0.098 0.000 0.934 478 E HN 0.187 nan 8.360 nan 0.000 0.459 479 P HA 0.101 nan 4.420 nan 0.000 0.271 479 P C -1.245 176.214 177.300 0.265 0.000 1.226 479 P CA 0.138 63.377 63.100 0.232 0.000 0.765 479 P CB 0.622 32.473 31.700 0.253 0.000 0.835 480 K N 2.662 123.169 120.400 0.178 0.000 2.378 480 K HA 0.165 4.486 4.320 0.001 0.000 0.252 480 K C 0.934 177.395 176.600 -0.233 0.000 0.931 480 K CA -0.678 55.638 56.287 0.048 0.000 0.794 480 K CB 2.287 34.768 32.500 -0.031 0.000 1.181 480 K HN 0.438 nan 8.250 nan 0.000 0.425 481 E N 2.183 122.092 120.200 -0.486 0.000 2.130 481 E HA -0.237 4.113 4.350 0.001 0.000 0.196 481 E C 1.061 177.405 176.600 -0.426 0.000 0.998 481 E CA 1.677 57.528 56.400 -0.914 0.000 0.806 481 E CB 0.453 29.848 29.700 -0.510 0.000 0.738 481 E HN 0.558 nan 8.360 nan 0.000 0.459 482 E N 0.358 120.420 120.200 -0.230 0.000 2.347 482 E HA -0.113 4.238 4.350 0.001 0.000 0.196 482 E C -0.032 176.509 176.600 -0.098 0.000 1.008 482 E CA 0.313 56.630 56.400 -0.139 0.000 0.852 482 E CB -0.271 29.365 29.700 -0.106 0.000 0.783 482 E HN 0.087 nan 8.360 nan 0.000 0.505 483 N N 2.111 120.744 118.700 -0.111 0.000 2.401 483 N HA 0.164 4.905 4.740 0.001 0.000 0.255 483 N C -0.746 174.823 175.510 0.098 0.000 1.110 483 N CA 0.182 53.225 53.050 -0.010 0.000 0.949 483 N CB 1.026 39.487 38.487 -0.043 0.000 1.110 483 N HN 0.128 nan 8.380 nan 0.000 0.490 484 K N 1.203 121.712 120.400 0.183 0.000 2.426 484 K HA 0.462 4.783 4.320 0.001 0.000 0.251 484 K C -1.097 175.657 176.600 0.257 0.000 0.941 484 K CA -0.934 55.480 56.287 0.211 0.000 0.808 484 K CB 2.407 35.036 32.500 0.215 0.000 1.265 484 K HN 0.166 nan 8.250 nan 0.000 0.432 485 L N 4.099 125.419 121.223 0.162 0.000 2.298 485 L HA 0.554 4.895 4.340 0.001 0.000 0.284 485 L C -1.274 175.530 176.870 -0.110 0.000 1.013 485 L CA -0.106 54.666 54.840 -0.113 0.000 0.824 485 L CB 0.486 42.493 42.059 -0.086 0.000 1.221 485 L HN 0.697 nan 8.230 nan 0.000 0.418 486 W N 3.699 124.720 121.300 -0.465 0.000 2.967 486 W HA 0.666 5.327 4.660 0.001 0.000 0.342 486 W C -2.149 173.925 176.519 -0.741 0.000 1.162 486 W CA -1.249 55.879 57.345 -0.361 0.000 1.085 486 W CB 0.931 30.323 29.460 -0.113 0.000 1.460 486 W HN 0.331 nan 8.180 nan 0.000 0.584 487 F N 1.414 121.532 119.950 0.281 0.000 2.547 487 F HA 0.325 4.853 4.527 0.001 0.000 0.316 487 F C 0.738 176.680 175.800 0.238 0.000 1.121 487 F CA -0.931 57.114 58.000 0.074 0.000 0.911 487 F CB 2.122 41.158 39.000 0.061 0.000 1.179 487 F HN 0.271 nan 8.300 nan 0.000 0.443 488 S N 1.136 116.955 115.700 0.199 0.000 2.560 488 S HA 0.040 4.511 4.470 0.001 0.000 0.284 488 S C 0.772 175.510 174.600 0.230 0.000 1.327 488 S CA -0.422 57.931 58.200 0.255 0.000 1.055 488 S CB 0.341 63.602 63.200 0.102 0.000 0.868 488 S HN 0.695 nan 8.310 nan 0.000 0.506 489 D N 2.962 123.490 120.400 0.214 0.000 2.340 489 D HA 0.106 4.747 4.640 0.001 0.000 0.220 489 D C 0.985 177.346 176.300 0.102 0.000 1.039 489 D CA 0.457 54.541 54.000 0.139 0.000 0.866 489 D CB 0.160 41.028 40.800 0.114 0.000 0.913 489 D HN 0.508 nan 8.370 nan 0.000 0.523 490 K N -0.380 120.083 120.400 0.106 0.000 2.493 490 K HA 0.148 4.469 4.320 0.001 0.000 0.201 490 K C 0.007 176.647 176.600 0.066 0.000 1.355 490 K CA -0.185 56.148 56.287 0.077 0.000 0.953 490 K CB 0.991 33.537 32.500 0.076 0.000 1.316 490 K HN -0.034 nan 8.250 nan 0.000 0.522 491 I N 3.322 123.934 120.570 0.069 0.000 2.428 491 I HA 0.121 4.292 4.170 0.001 0.000 0.289 491 I C 0.484 176.633 176.117 0.053 0.000 1.019 491 I CA -0.022 61.308 61.300 0.049 0.000 1.351 491 I CB 1.118 39.136 38.000 0.030 0.000 1.412 491 I HN 0.186 nan 8.210 nan 0.000 0.513 492 T N 1.282 115.864 114.554 0.047 0.000 2.924 492 T HA 0.567 4.918 4.350 0.001 0.000 0.291 492 T C -0.304 174.429 174.700 0.054 0.000 1.045 492 T CA -0.906 61.228 62.100 0.057 0.000 1.015 492 T CB 2.393 71.290 68.868 0.049 0.000 1.103 492 T HN 0.553 nan 8.240 nan 0.000 0.496 493 D N 0.741 121.190 120.400 0.080 0.000 2.469 493 D HA 0.450 5.091 4.640 0.001 0.000 0.278 493 D C 1.603 177.940 176.300 0.062 0.000 1.231 493 D CA -0.413 53.640 54.000 0.088 0.000 1.075 493 D CB -0.055 40.835 40.800 0.150 0.000 1.121 493 D HN 0.645 nan 8.370 nan 0.000 0.571 494 A N -1.454 121.393 122.820 0.046 0.000 2.121 494 A HA -0.090 4.231 4.320 0.001 0.000 0.218 494 A C 1.160 178.559 177.584 -0.309 0.000 1.154 494 A CA 0.797 52.760 52.037 -0.123 0.000 0.679 494 A CB -0.929 17.965 19.000 -0.177 0.000 0.795 494 A HN 0.538 nan 8.150 nan 0.000 0.458 495 Y N -1.181 119.138 120.300 0.031 0.000 2.625 495 Y HA 0.251 4.802 4.550 0.001 0.000 0.285 495 Y C 0.769 176.689 175.900 0.033 0.000 1.168 495 Y CA -0.250 57.871 58.100 0.036 0.000 1.250 495 Y CB -0.427 38.043 38.460 0.017 0.000 1.130 495 Y HN 0.421 nan 8.280 nan 0.000 0.526 496 N N 0.039 118.799 118.700 0.100 0.000 2.747 496 N HA -0.172 4.569 4.740 0.001 0.000 0.249 496 N C -0.753 174.798 175.510 0.069 0.000 1.107 496 N CA 0.588 53.676 53.050 0.063 0.000 0.707 496 N CB -0.521 37.985 38.487 0.032 0.000 1.054 496 N HN 0.152 nan 8.380 nan 0.000 0.555 497 M N -0.350 119.308 119.600 0.097 0.000 2.644 497 M HA 0.443 4.924 4.480 0.001 0.000 0.316 497 M C -2.140 174.215 176.300 0.092 0.000 1.200 497 M CA -1.971 53.373 55.300 0.073 0.000 0.944 497 M CB 0.894 33.535 32.600 0.068 0.000 1.691 497 M HN -0.247 nan 8.290 nan 0.000 0.471 498 P HA -0.019 nan 4.420 nan 0.000 0.262 498 P C -0.645 176.798 177.300 0.239 0.000 1.182 498 P CA 0.119 63.307 63.100 0.146 0.000 0.761 498 P CB 0.250 32.038 31.700 0.146 0.000 0.795 499 Q N 6.862 126.752 119.800 0.149 0.000 2.286 499 Q HA 0.167 4.508 4.340 0.001 0.000 0.267 499 Q C -2.241 173.719 176.000 -0.066 0.000 1.028 499 Q CA -2.022 53.817 55.803 0.061 0.000 0.901 499 Q CB -0.208 28.517 28.738 -0.022 0.000 1.183 499 Q HN 0.292 nan 8.270 nan 0.000 0.392 500 P HA 0.084 nan 4.420 nan 0.000 0.268 500 P C -1.047 175.758 177.300 -0.824 0.000 1.205 500 P CA -0.059 62.623 63.100 -0.698 0.000 0.771 500 P CB 0.940 32.335 31.700 -0.508 0.000 0.858 501 T N 3.026 116.860 114.554 -1.199 0.000 2.971 501 T HA 0.489 4.839 4.350 0.001 0.000 0.304 501 T C -0.596 173.433 174.700 -1.118 0.000 1.038 501 T CA -0.131 61.279 62.100 -1.150 0.000 1.007 501 T CB 0.479 68.355 68.868 -1.655 0.000 1.055 501 T HN 0.045 nan 8.240 nan 0.000 0.451 502 F N 1.912 121.596 119.950 -0.443 0.000 2.397 502 F HA 0.541 5.069 4.527 0.001 0.000 0.331 502 F C 0.676 176.440 175.800 -0.059 0.000 1.090 502 F CA -0.904 56.962 58.000 -0.224 0.000 1.065 502 F CB 1.087 39.999 39.000 -0.147 0.000 1.184 502 F HN 0.395 nan 8.300 nan 0.000 0.499 503 D N 3.183 123.767 120.400 0.308 0.000 2.375 503 D HA 0.226 4.867 4.640 0.001 0.000 0.259 503 D C -1.779 174.661 176.300 0.233 0.000 1.235 503 D CA -0.099 54.060 54.000 0.266 0.000 0.924 503 D CB 0.350 41.333 40.800 0.305 0.000 1.143 503 D HN 0.296 nan 8.370 nan 0.000 0.529 504 F N 3.197 123.144 119.950 -0.005 0.000 2.569 504 F HA 0.599 5.127 4.527 0.001 0.000 0.312 504 F C -1.176 174.518 175.800 -0.176 0.000 1.109 504 F CA -0.612 57.316 58.000 -0.120 0.000 0.919 504 F CB 1.389 40.252 39.000 -0.228 0.000 1.211 504 F HN 0.009 nan 8.300 nan 0.000 0.446 505 R N 4.266 124.262 120.500 -0.840 0.000 2.698 505 R HA 0.346 4.687 4.340 0.001 0.000 0.275 505 R C -1.652 174.021 176.300 -1.045 0.000 1.001 505 R CA -0.972 54.723 56.100 -0.674 0.000 0.896 505 R CB 1.656 31.780 30.300 -0.293 0.000 1.218 505 R HN 0.584 nan 8.270 nan 0.000 0.462 506 F N 2.969 122.681 119.950 -0.396 0.000 2.571 506 F HA 0.152 4.680 4.527 0.001 0.000 0.384 506 F C -1.294 174.380 175.800 -0.211 0.000 1.058 506 F CA -1.034 56.825 58.000 -0.236 0.000 1.200 506 F CB -0.204 38.783 39.000 -0.023 0.000 1.077 506 F HN 0.120 nan 8.300 nan 0.000 0.558 507 P HA 0.081 nan 4.420 nan 0.000 0.266 507 P C -0.475 176.835 177.300 0.017 0.000 1.195 507 P CA -0.124 62.953 63.100 -0.038 0.000 0.768 507 P CB 0.511 32.207 31.700 -0.007 0.000 0.838 508 A N 2.900 125.718 122.820 -0.005 0.000 2.492 508 A HA 0.472 4.792 4.320 0.001 0.000 0.236 508 A C 1.212 178.809 177.584 0.022 0.000 1.078 508 A CA 0.944 52.984 52.037 0.006 0.000 0.773 508 A CB -1.098 17.899 19.000 -0.005 0.000 1.023 508 A HN 0.847 nan 8.150 nan 0.000 0.504 509 G N 0.213 109.028 108.800 0.024 0.000 2.496 509 G HA2 -0.272 3.689 3.960 0.001 0.000 0.243 509 G HA3 -0.272 3.689 3.960 0.001 0.000 0.243 509 G C 1.053 175.981 174.900 0.047 0.000 1.176 509 G CA 0.814 45.934 45.100 0.033 0.000 0.940 509 G HN 1.059 nan 8.290 nan 0.000 0.573 510 R N -0.143 120.391 120.500 0.058 0.000 2.103 510 R HA -0.106 4.235 4.340 0.001 0.000 0.242 510 R C 2.825 179.179 176.300 0.091 0.000 1.142 510 R CA 2.842 58.986 56.100 0.074 0.000 0.960 510 R CB -0.925 29.422 30.300 0.077 0.000 0.858 510 R HN 0.637 nan 8.270 nan 0.000 0.439 511 T N 0.033 114.644 114.554 0.095 0.000 2.684 511 T HA -0.118 4.233 4.350 0.001 0.000 0.267 511 T C 1.952 176.704 174.700 0.087 0.000 1.036 511 T CA 1.841 64.012 62.100 0.118 0.000 1.148 511 T CB -0.207 68.750 68.868 0.149 0.000 0.863 511 T HN 0.284 nan 8.240 nan 0.000 0.436 512 S N 0.709 116.444 115.700 0.059 0.000 2.355 512 S HA -0.054 4.417 4.470 0.001 0.000 0.222 512 S C 2.032 176.641 174.600 0.015 0.000 1.031 512 S CA 1.068 59.275 58.200 0.011 0.000 0.993 512 S CB -0.232 62.969 63.200 0.003 0.000 0.859 512 S HN 0.526 nan 8.310 nan 0.000 0.453 513 K N 1.402 121.827 120.400 0.041 0.000 2.032 513 K HA -0.161 4.160 4.320 0.001 0.000 0.209 513 K C 1.884 178.538 176.600 0.090 0.000 1.048 513 K CA 1.569 57.889 56.287 0.055 0.000 0.927 513 K CB -0.160 32.377 32.500 0.061 0.000 0.712 513 K HN 0.362 nan 8.250 nan 0.000 0.441 514 E N -0.029 120.249 120.200 0.130 0.000 2.110 514 E HA -0.177 4.173 4.350 0.001 0.000 0.193 514 E C 1.993 178.685 176.600 0.152 0.000 0.988 514 E CA 0.965 57.499 56.400 0.223 0.000 0.804 514 E CB -0.119 29.743 29.700 0.271 0.000 0.745 514 E HN 0.476 nan 8.360 nan 0.000 0.458 515 A N 1.368 124.246 122.820 0.096 0.000 1.883 515 A HA -0.263 4.058 4.320 0.001 0.000 0.217 515 A C 2.088 179.743 177.584 0.120 0.000 1.186 515 A CA 1.862 53.953 52.037 0.091 0.000 0.624 515 A CB -0.405 18.605 19.000 0.016 0.000 0.822 515 A HN 0.150 nan 8.150 nan 0.000 0.444 516 E N 0.463 120.711 120.200 0.081 0.000 2.072 516 E HA -0.151 4.200 4.350 0.001 0.000 0.190 516 E C 1.354 177.941 176.600 -0.021 0.000 0.982 516 E CA 1.509 57.956 56.400 0.078 0.000 0.803 516 E CB -0.314 29.404 29.700 0.030 0.000 0.755 516 E HN 0.519 nan 8.360 nan 0.000 0.453 517 D N -0.039 120.344 120.400 -0.027 0.000 2.149 517 D HA -0.200 4.440 4.640 0.001 0.000 0.198 517 D C 1.915 177.962 176.300 -0.422 0.000 0.990 517 D CA 1.296 55.259 54.000 -0.061 0.000 0.839 517 D CB -0.340 40.555 40.800 0.158 0.000 0.948 517 D HN 0.330 nan 8.370 nan 0.000 0.460 518 M N -0.352 118.790 119.600 -0.763 0.000 2.132 518 M HA -0.190 4.291 4.480 0.001 0.000 0.263 518 M C 2.047 177.933 176.300 -0.690 0.000 1.065 518 M CA 1.185 55.688 55.300 -1.329 0.000 1.122 518 M CB 0.004 32.051 32.600 -0.922 0.000 1.365 518 M HN -0.032 nan 8.290 nan 0.000 0.411 519 M N 0.476 119.806 119.600 -0.449 0.000 2.065 519 M HA -0.172 4.309 4.480 0.001 0.000 0.259 519 M C 1.815 177.913 176.300 -0.336 0.000 1.069 519 M CA 2.508 57.550 55.300 -0.429 0.000 1.110 519 M CB -1.062 31.370 32.600 -0.280 0.000 1.328 519 M HN 0.279 nan 8.290 nan 0.000 0.405 520 T N -0.047 114.377 114.554 -0.217 0.000 2.759 520 T HA -0.172 4.178 4.350 0.001 0.000 0.269 520 T C 1.492 176.124 174.700 -0.113 0.000 1.042 520 T CA 1.797 63.819 62.100 -0.129 0.000 1.140 520 T CB -0.629 68.205 68.868 -0.057 0.000 0.864 520 T HN 0.543 nan 8.240 nan 0.000 0.455 521 D N 0.483 120.807 120.400 -0.128 0.000 2.117 521 D HA -0.055 4.585 4.640 0.001 0.000 0.197 521 D C 2.060 178.363 176.300 0.004 0.000 0.987 521 D CA 0.838 54.873 54.000 0.059 0.000 0.829 521 D CB -0.213 40.733 40.800 0.243 0.000 0.961 521 D HN 0.279 nan 8.370 nan 0.000 0.460 522 M N -0.504 118.870 119.600 -0.377 0.000 2.117 522 M HA -0.178 4.303 4.480 0.001 0.000 0.262 522 M C 1.957 177.986 176.300 -0.452 0.000 1.065 522 M CA 1.318 56.147 55.300 -0.784 0.000 1.114 522 M CB -0.142 31.738 32.600 -1.201 0.000 1.361 522 M HN 0.207 nan 8.290 nan 0.000 0.408 523 C N -0.428 118.701 119.300 -0.285 0.000 2.429 523 C HA -0.117 4.344 4.460 0.001 0.000 0.277 523 C C 2.660 177.574 174.990 -0.127 0.000 1.262 523 C CA 0.899 59.858 59.018 -0.099 0.000 1.733 523 C CB -0.990 26.735 27.740 -0.026 0.000 2.010 523 C HN 0.493 nan 8.230 nan 0.000 0.483 524 V N 0.519 120.385 119.914 -0.081 0.000 2.270 524 V HA -0.289 3.832 4.120 0.001 0.000 0.245 524 V C 2.401 178.486 176.094 -0.015 0.000 1.043 524 V CA 2.289 64.570 62.300 -0.032 0.000 1.014 524 V CB -0.686 31.167 31.823 0.050 0.000 0.645 524 V HN 0.576 nan 8.190 nan 0.000 0.447 525 M N 0.778 120.422 119.600 0.072 0.000 2.132 525 M HA -0.167 4.313 4.480 0.001 0.000 0.263 525 M C 2.467 178.688 176.300 -0.132 0.000 1.065 525 M CA 2.292 57.710 55.300 0.198 0.000 1.122 525 M CB -0.205 32.661 32.600 0.443 0.000 1.365 525 M HN 0.569 nan 8.290 nan 0.000 0.411 526 S N 0.508 115.824 115.700 -0.640 0.000 2.399 526 S HA -0.076 4.395 4.470 0.001 0.000 0.231 526 S C 2.000 176.236 174.600 -0.605 0.000 1.022 526 S CA 1.017 58.452 58.200 -1.275 0.000 0.983 526 S CB -0.867 61.335 63.200 -1.663 0.000 0.803 526 S HN 0.573 nan 8.310 nan 0.000 0.480 527 A N 2.137 124.695 122.820 -0.437 0.000 2.024 527 A HA -0.062 4.259 4.320 0.001 0.000 0.220 527 A C 2.184 179.648 177.584 -0.201 0.000 1.164 527 A CA 1.501 53.330 52.037 -0.347 0.000 0.643 527 A CB -0.598 18.223 19.000 -0.299 0.000 0.806 527 A HN 0.655 nan 8.150 nan 0.000 0.451 528 K N -0.758 119.570 120.400 -0.120 0.000 2.283 528 K HA -0.012 4.308 4.320 0.001 0.000 0.202 528 K C 1.210 177.807 176.600 -0.005 0.000 1.048 528 K CA 0.880 57.142 56.287 -0.041 0.000 0.948 528 K CB -0.044 32.472 32.500 0.025 0.000 0.742 528 K HN 0.421 nan 8.250 nan 0.000 0.458 529 I N -0.823 119.757 120.570 0.017 0.000 3.039 529 I HA 0.154 4.325 4.170 0.001 0.000 0.270 529 I C 1.159 177.290 176.117 0.023 0.000 1.150 529 I CA 0.629 61.985 61.300 0.093 0.000 1.448 529 I CB -0.103 38.086 38.000 0.315 0.000 1.197 529 I HN 0.112 nan 8.210 nan 0.000 0.450 530 G N -0.682 108.080 108.800 -0.063 0.000 2.349 530 G HA2 0.462 4.423 3.960 0.001 0.000 0.294 530 G HA3 0.462 4.423 3.960 0.001 0.000 0.294 530 G C -0.662 174.093 174.900 -0.242 0.000 1.380 530 G CA -0.159 44.876 45.100 -0.109 0.000 0.811 530 G HN 0.310 nan 8.290 nan 0.000 0.519 531 G N -1.192 107.464 108.800 -0.240 0.000 2.562 531 G HA2 0.551 4.512 3.960 0.001 0.000 0.275 531 G HA3 0.551 4.512 3.960 0.001 0.000 0.275 531 G C -0.334 174.396 174.900 -0.284 0.000 1.196 531 G CA -0.532 44.338 45.100 -0.383 0.000 0.908 531 G HN 0.443 nan 8.290 nan 0.000 0.524 532 F N -0.775 119.079 119.950 -0.160 0.000 2.518 532 F HA 0.227 4.754 4.527 0.001 0.000 0.359 532 F C 0.676 176.413 175.800 -0.105 0.000 1.118 532 F CA -0.768 57.130 58.000 -0.171 0.000 1.287 532 F CB 0.760 39.650 39.000 -0.184 0.000 1.132 532 F HN 0.159 nan 8.300 nan 0.000 0.587 533 L N 6.005 127.293 121.223 0.108 0.000 2.313 533 L HA 0.415 4.756 4.340 0.001 0.000 0.282 533 L C -2.418 174.495 176.870 0.072 0.000 1.092 533 L CA -1.943 52.938 54.840 0.069 0.000 0.831 533 L CB 0.102 42.198 42.059 0.062 0.000 1.159 533 L HN 0.283 nan 8.230 nan 0.000 0.442 534 P HA 0.192 nan 4.420 nan 0.000 0.264 534 P C 0.642 177.992 177.300 0.083 0.000 1.183 534 P CA 1.027 64.166 63.100 0.064 0.000 0.763 534 P CB 0.672 32.406 31.700 0.055 0.000 0.807 535 G N 1.990 110.834 108.800 0.073 0.000 2.225 535 G HA2 -0.241 3.720 3.960 0.001 0.000 0.254 535 G HA3 -0.241 3.720 3.960 0.001 0.000 0.254 535 G C 0.507 175.491 174.900 0.140 0.000 0.988 535 G CA 0.263 45.428 45.100 0.107 0.000 0.625 535 G HN 0.531 nan 8.290 nan 0.000 0.527 536 S N 0.699 116.450 115.700 0.085 0.000 2.665 536 S HA 0.516 4.987 4.470 0.001 0.000 0.235 536 S C 0.424 174.923 174.600 -0.168 0.000 1.084 536 S CA -0.539 57.690 58.200 0.048 0.000 1.151 536 S CB 0.297 63.500 63.200 0.005 0.000 1.151 536 S HN 0.464 nan 8.310 nan 0.000 0.461 537 L N 2.491 123.615 121.223 -0.165 0.000 2.466 537 L HA 0.361 4.702 4.340 0.001 0.000 0.257 537 L C -2.054 174.525 176.870 -0.485 0.000 1.189 537 L CA -2.232 52.380 54.840 -0.379 0.000 0.813 537 L CB 0.011 41.912 42.059 -0.264 0.000 1.118 537 L HN 0.067 nan 8.230 nan 0.000 0.471 538 P HA 0.013 nan 4.420 nan 0.000 0.263 538 P C -1.463 175.606 177.300 -0.384 0.000 1.195 538 P CA 0.085 62.797 63.100 -0.646 0.000 0.762 538 P CB 0.454 31.666 31.700 -0.814 0.000 0.799 539 Q N 1.840 121.457 119.800 -0.305 0.000 2.426 539 Q HA 0.473 4.814 4.340 0.001 0.000 0.278 539 Q C -1.488 174.375 176.000 -0.229 0.000 1.007 539 Q CA -0.857 54.853 55.803 -0.155 0.000 0.850 539 Q CB 0.741 29.462 28.738 -0.030 0.000 1.427 539 Q HN 0.096 nan 8.270 nan 0.000 0.391 540 F N 1.771 121.669 119.950 -0.086 0.000 2.412 540 F HA 0.310 4.838 4.527 0.001 0.000 0.348 540 F C 0.559 176.334 175.800 -0.042 0.000 1.102 540 F CA -0.344 57.607 58.000 -0.082 0.000 1.196 540 F CB 0.973 39.913 39.000 -0.100 0.000 1.144 540 F HN 0.400 nan 8.300 nan 0.000 0.541 541 M N 1.766 121.423 119.600 0.094 0.000 2.288 541 M HA 0.141 4.621 4.480 0.001 0.000 0.334 541 M C 0.265 176.620 176.300 0.092 0.000 1.150 541 M CA -0.526 54.806 55.300 0.053 0.000 1.118 541 M CB 0.510 33.101 32.600 -0.015 0.000 1.501 541 M HN 0.573 nan 8.290 nan 0.000 0.462 542 E N 2.711 122.940 120.200 0.049 0.000 2.708 542 E HA -0.048 4.302 4.350 0.001 0.000 0.260 542 E C -2.102 174.537 176.600 0.064 0.000 0.937 542 E CA -1.046 55.381 56.400 0.044 0.000 0.953 542 E CB 0.300 30.000 29.700 -0.001 0.000 0.915 542 E HN 0.207 nan 8.360 nan 0.000 0.487 543 P HA 0.003 nan 4.420 nan 0.000 0.262 543 P C 0.277 177.521 177.300 -0.093 0.000 1.199 543 P CA 1.011 64.165 63.100 0.090 0.000 0.763 543 P CB 0.512 32.247 31.700 0.057 0.000 0.790 544 G N 2.682 111.435 108.800 -0.078 0.000 2.195 544 G HA2 -0.317 3.644 3.960 0.001 0.000 0.246 544 G HA3 -0.317 3.644 3.960 0.001 0.000 0.246 544 G C 0.745 175.614 174.900 -0.052 0.000 0.984 544 G CA 0.130 45.140 45.100 -0.149 0.000 0.633 544 G HN 0.512 nan 8.290 nan 0.000 0.525 545 L N 0.884 122.098 121.223 -0.015 0.000 2.127 545 L HA 0.089 4.430 4.340 0.001 0.000 0.211 545 L C 2.836 179.733 176.870 0.045 0.000 1.089 545 L CA 2.482 57.322 54.840 -0.000 0.000 0.757 545 L CB -0.346 41.703 42.059 -0.018 0.000 0.899 545 L HN 0.465 nan 8.230 nan 0.000 0.434 546 V N -0.217 119.747 119.914 0.084 0.000 2.720 546 V HA -0.176 3.945 4.120 0.001 0.000 0.256 546 V C 1.514 177.727 176.094 0.200 0.000 1.082 546 V CA 1.146 63.551 62.300 0.176 0.000 1.101 546 V CB -0.324 31.642 31.823 0.238 0.000 0.693 546 V HN 0.487 nan 8.190 nan 0.000 0.479 547 L N 0.505 121.806 121.223 0.131 0.000 3.597 547 L HA -0.192 4.148 4.340 0.001 0.000 0.440 547 L C 0.123 177.098 176.870 0.176 0.000 1.277 547 L CA 0.603 55.523 54.840 0.134 0.000 0.852 547 L CB -1.987 40.167 42.059 0.158 0.000 1.708 547 L HN 0.453 nan 8.230 nan 0.000 0.885 548 N N 0.477 119.286 118.700 0.182 0.000 2.416 548 N HA 0.246 4.987 4.740 0.001 0.000 0.267 548 N C -0.093 175.557 175.510 0.233 0.000 1.294 548 N CA -0.416 52.784 53.050 0.249 0.000 0.891 548 N CB 0.592 39.272 38.487 0.322 0.000 1.238 548 N HN 0.219 nan 8.380 nan 0.000 0.508 549 L N 1.204 122.507 121.223 0.134 0.000 2.601 549 L HA 0.291 4.631 4.340 0.001 0.000 0.277 549 L C 0.751 177.731 176.870 0.184 0.000 1.219 549 L CA 0.651 55.547 54.840 0.093 0.000 0.915 549 L CB -0.111 41.979 42.059 0.051 0.000 1.160 549 L HN 0.243 nan 8.230 nan 0.000 0.494 550 G N 1.930 110.853 108.800 0.206 0.000 2.766 550 G HA2 0.544 4.504 3.960 0.001 0.000 0.288 550 G HA3 0.544 4.504 3.960 0.001 0.000 0.288 550 G C 0.307 175.306 174.900 0.164 0.000 1.408 550 G CA -0.255 44.987 45.100 0.237 0.000 0.852 550 G HN 1.329 nan 8.290 nan 0.000 0.487 551 G N -1.374 107.495 108.800 0.116 0.000 2.168 551 G HA2 -0.233 3.728 3.960 0.001 0.000 0.263 551 G HA3 -0.233 3.728 3.960 0.001 0.000 0.263 551 G C 1.336 176.294 174.900 0.097 0.000 0.977 551 G CA 1.678 46.850 45.100 0.119 0.000 0.659 551 G HN 1.904 nan 8.290 nan 0.000 0.533 552 T N -2.163 112.397 114.554 0.010 0.000 2.995 552 T HA 0.132 4.483 4.350 0.001 0.000 0.269 552 T C 1.092 175.869 174.700 0.129 0.000 1.091 552 T CA 1.822 63.968 62.100 0.077 0.000 1.128 552 T CB -0.262 68.658 68.868 0.088 0.000 0.891 552 T HN 1.474 nan 8.240 nan 0.000 0.492 553 H N -0.141 118.998 119.070 0.114 0.000 2.823 553 H HA 0.461 5.017 4.556 0.001 0.000 0.222 553 H C -0.111 175.256 175.328 0.064 0.000 1.414 553 H CA -1.318 54.772 56.048 0.070 0.000 1.289 553 H CB -0.338 29.428 29.762 0.007 0.000 1.970 553 H HN 0.353 nan 8.280 nan 0.000 0.517 554 R N 0.695 121.273 120.500 0.130 0.000 2.641 554 R HA 0.271 4.611 4.340 0.001 0.000 0.269 554 R C -0.333 176.025 176.300 0.098 0.000 1.074 554 R CA -0.682 55.470 56.100 0.087 0.000 1.133 554 R CB 0.954 31.304 30.300 0.083 0.000 1.029 554 R HN 0.470 nan 8.270 nan 0.000 0.488 555 M N 1.678 121.311 119.600 0.056 0.000 2.249 555 M HA 0.418 4.899 4.480 0.001 0.000 0.351 555 M C -0.436 175.860 176.300 -0.008 0.000 1.180 555 M CA 0.350 55.660 55.300 0.016 0.000 1.127 555 M CB 1.433 34.019 32.600 -0.025 0.000 1.546 555 M HN 0.959 nan 8.290 nan 0.000 0.461 556 G N 2.242 111.048 108.800 0.011 0.000 2.548 556 G HA2 0.403 4.364 3.960 0.001 0.000 0.301 556 G HA3 0.403 4.364 3.960 0.001 0.000 0.301 556 G C -0.917 173.987 174.900 0.006 0.000 1.349 556 G CA -0.682 44.369 45.100 -0.081 0.000 0.792 556 G HN 0.658 nan 8.290 nan 0.000 0.481 557 F N -0.027 120.024 119.950 0.169 0.000 2.187 557 F HA 0.266 4.795 4.527 0.002 0.000 0.295 557 F C 1.106 177.027 175.800 0.202 0.000 1.091 557 F CA 1.033 59.134 58.000 0.169 0.000 1.308 557 F CB 0.348 39.404 39.000 0.093 0.000 1.030 557 F HN 0.361 nan 8.300 nan 0.000 0.487 558 D N -0.778 119.767 120.400 0.242 0.000 2.593 558 D HA 0.129 4.770 4.640 0.001 0.000 0.251 558 D C 0.788 176.914 176.300 -0.290 0.000 1.140 558 D CA -0.197 53.787 54.000 -0.027 0.000 0.855 558 D CB 1.234 42.042 40.800 0.013 0.000 1.267 558 D HN 0.118 nan 8.370 nan 0.000 0.532 559 E N 3.256 122.931 120.200 -0.875 0.000 2.065 559 E HA -0.298 4.052 4.350 0.001 0.000 0.201 559 E C 1.262 177.677 176.600 -0.307 0.000 1.016 559 E CA 1.326 57.203 56.400 -0.873 0.000 0.818 559 E CB 0.279 29.330 29.700 -1.083 0.000 0.749 559 E HN 0.398 nan 8.360 nan 0.000 0.453 560 K N -0.076 120.189 120.400 -0.226 0.000 2.044 560 K HA -0.114 4.206 4.320 0.001 0.000 0.204 560 K C 2.147 178.711 176.600 -0.061 0.000 1.049 560 K CA 1.274 57.501 56.287 -0.101 0.000 0.945 560 K CB 0.052 32.509 32.500 -0.072 0.000 0.724 560 K HN 0.146 nan 8.250 nan 0.000 0.440 561 E N 0.328 120.496 120.200 -0.055 0.000 2.106 561 E HA -0.134 4.217 4.350 0.001 0.000 0.192 561 E C 0.779 177.370 176.600 -0.015 0.000 0.984 561 E CA 0.971 57.362 56.400 -0.016 0.000 0.806 561 E CB 0.167 29.872 29.700 0.009 0.000 0.750 561 E HN 0.287 nan 8.360 nan 0.000 0.458 562 D N 0.307 120.692 120.400 -0.025 0.000 2.342 562 D HA 0.038 4.679 4.640 0.001 0.000 0.221 562 D C -0.646 175.587 176.300 -0.112 0.000 1.101 562 D CA 0.011 53.990 54.000 -0.035 0.000 0.837 562 D CB -0.052 40.763 40.800 0.025 0.000 0.938 562 D HN 0.087 nan 8.370 nan 0.000 0.508 563 N N 0.615 119.248 118.700 -0.111 0.000 2.650 563 N HA -0.199 4.541 4.740 0.001 0.000 0.272 563 N C -0.264 175.182 175.510 -0.107 0.000 1.058 563 N CA 0.591 53.561 53.050 -0.134 0.000 0.765 563 N CB -1.336 36.947 38.487 -0.340 0.000 0.902 563 N HN 0.409 nan 8.380 nan 0.000 0.551 564 C N -3.270 116.037 119.300 0.013 0.000 3.318 564 C HA 0.777 5.237 4.460 0.001 0.000 0.329 564 C C 1.257 176.410 174.990 0.270 0.000 1.449 564 C CA -0.649 58.444 59.018 0.125 0.000 1.397 564 C CB 1.538 29.365 27.740 0.145 0.000 1.810 564 C HN 0.500 nan 8.230 nan 0.000 0.449 565 C N 0.211 119.707 119.300 0.326 0.000 3.095 565 C HA 0.501 4.962 4.460 0.001 0.000 0.472 565 C C 0.656 175.765 174.990 0.197 0.000 1.348 565 C CA 0.642 59.846 59.018 0.309 0.000 2.206 565 C CB -0.266 27.576 27.740 0.171 0.000 3.088 565 C HN 0.974 nan 8.230 nan 0.000 0.599 566 V N 1.375 121.297 119.914 0.013 0.000 3.001 566 V HA 0.722 4.843 4.120 0.001 0.000 0.314 566 V C -0.750 175.001 176.094 -0.571 0.000 1.099 566 V CA -0.618 61.444 62.300 -0.398 0.000 0.989 566 V CB 1.546 33.252 31.823 -0.195 0.000 1.040 566 V HN 0.415 nan 8.190 nan 0.000 0.434 567 N N 0.686 118.874 118.700 -0.853 0.000 2.495 567 N HA 0.262 5.003 4.740 0.001 0.000 0.294 567 N C 1.059 176.432 175.510 -0.228 0.000 1.276 567 N CA 0.214 52.985 53.050 -0.466 0.000 0.973 567 N CB -0.070 38.145 38.487 -0.452 0.000 1.143 567 N HN 0.934 nan 8.380 nan 0.000 0.589 568 T N -4.673 109.803 114.554 -0.131 0.000 3.113 568 T HA 0.001 4.352 4.350 0.001 0.000 0.263 568 T C 0.098 174.728 174.700 -0.117 0.000 1.143 568 T CA 0.679 62.706 62.100 -0.120 0.000 1.090 568 T CB -0.411 68.418 68.868 -0.064 0.000 0.922 568 T HN 0.438 nan 8.240 nan 0.000 0.521 569 D N 0.997 121.312 120.400 -0.141 0.000 2.340 569 D HA 0.185 4.826 4.640 0.001 0.000 0.217 569 D C 0.553 176.857 176.300 0.007 0.000 1.081 569 D CA 0.130 54.062 54.000 -0.113 0.000 0.842 569 D CB 0.148 40.751 40.800 -0.329 0.000 0.934 569 D HN 0.350 nan 8.370 nan 0.000 0.511 570 S N 0.281 115.955 115.700 -0.044 0.000 3.476 570 S HA -0.260 4.210 4.470 0.001 0.000 0.309 570 S C 0.561 175.149 174.600 -0.019 0.000 1.222 570 S CA 0.466 58.675 58.200 0.015 0.000 0.922 570 S CB -1.389 61.893 63.200 0.137 0.000 1.023 570 S HN 0.465 nan 8.310 nan 0.000 0.591 571 R N 1.070 121.433 120.500 -0.228 0.000 2.357 571 R HA 0.474 4.815 4.340 0.001 0.000 0.296 571 R C -0.041 175.945 176.300 -0.523 0.000 1.052 571 R CA -0.420 55.346 56.100 -0.556 0.000 0.988 571 R CB 0.678 30.622 30.300 -0.594 0.000 1.025 571 R HN 0.138 nan 8.270 nan 0.000 0.469 572 V N 5.984 125.625 119.914 -0.454 0.000 2.572 572 V HA 0.036 4.157 4.120 0.001 0.000 0.291 572 V C 0.117 176.139 176.094 -0.119 0.000 1.039 572 V CA 0.131 62.250 62.300 -0.303 0.000 1.055 572 V CB 0.104 31.724 31.823 -0.340 0.000 0.969 572 V HN 0.565 nan 8.190 nan 0.000 0.482 573 F N 3.698 123.684 119.950 0.059 0.000 2.608 573 F HA 0.418 4.945 4.527 0.001 0.000 0.380 573 F C 1.553 177.477 175.800 0.205 0.000 1.083 573 F CA 1.467 59.526 58.000 0.099 0.000 1.266 573 F CB 0.090 39.141 39.000 0.084 0.000 1.076 573 F HN 0.784 nan 8.300 nan 0.000 0.574 574 G N 2.171 111.149 108.800 0.296 0.000 2.241 574 G HA2 -0.294 3.666 3.960 0.001 0.000 0.244 574 G HA3 -0.294 3.666 3.960 0.001 0.000 0.244 574 G C -0.145 174.688 174.900 -0.111 0.000 0.998 574 G CA -0.499 44.659 45.100 0.097 0.000 0.621 574 G HN 0.434 nan 8.290 nan 0.000 0.519 575 F N 1.275 121.248 119.950 0.039 0.000 2.426 575 F HA 0.566 5.094 4.527 0.001 0.000 0.348 575 F C 1.406 177.192 175.800 -0.022 0.000 1.124 575 F CA -0.815 57.192 58.000 0.012 0.000 1.008 575 F CB 1.733 40.737 39.000 0.006 0.000 1.139 575 F HN -0.133 nan 8.300 nan 0.000 0.452 576 K N 1.430 121.927 120.400 0.162 0.000 2.211 576 K HA -0.096 4.225 4.320 0.001 0.000 0.203 576 K C 0.789 177.609 176.600 0.366 0.000 1.050 576 K CA 1.256 57.682 56.287 0.231 0.000 0.945 576 K CB 0.041 32.677 32.500 0.227 0.000 0.732 576 K HN 0.597 nan 8.250 nan 0.000 0.451 577 N N 0.020 118.895 118.700 0.291 0.000 2.240 577 N HA 0.026 4.766 4.740 0.001 0.000 0.240 577 N C -0.753 174.862 175.510 0.174 0.000 1.277 577 N CA -0.293 52.977 53.050 0.366 0.000 0.873 577 N CB 0.133 38.888 38.487 0.447 0.000 1.222 577 N HN -0.046 nan 8.380 nan 0.000 0.507 578 L N 0.829 121.933 121.223 -0.198 0.000 2.325 578 L HA 0.687 5.028 4.340 0.001 0.000 0.281 578 L C -1.773 174.697 176.870 -0.668 0.000 1.004 578 L CA -0.659 54.035 54.840 -0.244 0.000 0.823 578 L CB 0.755 42.666 42.059 -0.247 0.000 1.236 578 L HN -0.050 nan 8.230 nan 0.000 0.415 579 F N 4.979 124.853 119.950 -0.126 0.000 2.546 579 F HA 0.676 5.204 4.527 0.001 0.000 0.320 579 F C -0.493 175.159 175.800 -0.246 0.000 1.076 579 F CA -0.741 57.166 58.000 -0.155 0.000 0.928 579 F CB 1.735 40.682 39.000 -0.088 0.000 1.189 579 F HN 0.194 nan 8.300 nan 0.000 0.465 580 L N 1.744 122.927 121.223 -0.068 0.000 2.346 580 L HA 0.894 5.235 4.340 0.001 0.000 0.274 580 L C 0.016 176.893 176.870 0.012 0.000 1.007 580 L CA -0.840 53.891 54.840 -0.183 0.000 0.818 580 L CB 1.991 43.792 42.059 -0.430 0.000 1.284 580 L HN 0.795 nan 8.230 nan 0.000 0.424 581 G N 0.281 109.095 108.800 0.023 0.000 2.542 581 G HA2 0.776 4.737 3.960 0.001 0.000 0.311 581 G HA3 0.776 4.737 3.960 0.001 0.000 0.311 581 G C -0.508 174.507 174.900 0.191 0.000 1.298 581 G CA -0.240 44.976 45.100 0.194 0.000 0.973 581 G HN 0.973 nan 8.290 nan 0.000 0.487 582 G N -1.022 107.888 108.800 0.183 0.000 2.343 582 G HA2 0.047 4.008 3.960 0.001 0.000 0.465 582 G HA3 0.047 4.008 3.960 0.001 0.000 0.465 582 G C 0.807 175.761 174.900 0.089 0.000 1.282 582 G CA 0.061 45.243 45.100 0.137 0.000 0.996 582 G HN 1.178 nan 8.290 nan 0.000 0.521 583 C N 0.661 119.992 119.300 0.052 0.000 2.419 583 C HA 0.193 4.654 4.460 0.001 0.000 0.283 583 C C 3.057 178.030 174.990 -0.028 0.000 1.373 583 C CA 1.849 60.879 59.018 0.020 0.000 1.781 583 C CB -1.360 26.426 27.740 0.077 0.000 1.886 583 C HN 1.296 nan 8.230 nan 0.000 0.520 584 G N 1.148 109.847 108.800 -0.170 0.000 2.479 584 G HA2 -0.223 3.737 3.960 0.001 0.000 0.220 584 G HA3 -0.223 3.737 3.960 0.001 0.000 0.220 584 G C 1.427 175.993 174.900 -0.556 0.000 1.115 584 G CA 0.773 45.525 45.100 -0.580 0.000 0.757 584 G HN 0.550 nan 8.290 nan 0.000 0.560 585 N N 0.326 118.895 118.700 -0.219 0.000 2.331 585 N HA 0.016 4.757 4.740 0.001 0.000 0.180 585 N C 0.901 176.422 175.510 0.019 0.000 1.019 585 N CA 0.178 53.234 53.050 0.009 0.000 0.881 585 N CB 0.007 38.551 38.487 0.095 0.000 0.972 585 N HN 0.304 nan 8.380 nan 0.000 0.435 586 I N 3.054 123.637 120.570 0.021 0.000 2.505 586 I HA 0.033 4.204 4.170 0.001 0.000 0.287 586 I C -1.351 174.858 176.117 0.152 0.000 1.104 586 I CA -0.968 60.374 61.300 0.071 0.000 1.387 586 I CB 1.261 39.254 38.000 -0.012 0.000 1.404 586 I HN -0.052 nan 8.210 nan 0.000 0.528 587 P HA 0.063 nan 4.420 nan 0.000 0.267 587 P C 0.232 177.619 177.300 0.144 0.000 1.289 587 P CA 0.187 63.356 63.100 0.115 0.000 0.866 587 P CB 0.223 31.949 31.700 0.044 0.000 1.309 588 T N -2.221 112.456 114.554 0.206 0.000 2.897 588 T HA 0.689 5.039 4.350 0.001 0.000 0.278 588 T C 0.147 174.982 174.700 0.225 0.000 0.981 588 T CA -0.878 61.333 62.100 0.185 0.000 0.973 588 T CB 1.239 70.199 68.868 0.155 0.000 1.092 588 T HN 0.047 nan 8.240 nan 0.000 0.543 589 A N 1.800 124.683 122.820 0.105 0.000 2.279 589 A HA 0.617 4.938 4.320 0.001 0.000 0.306 589 A C -0.717 176.823 177.584 -0.072 0.000 1.300 589 A CA -0.881 51.162 52.037 0.010 0.000 0.925 589 A CB -0.844 18.184 19.000 0.046 0.000 1.152 589 A HN 0.867 nan 8.150 nan 0.000 0.544 590 Y N -0.238 119.965 120.300 -0.162 0.000 2.477 590 Y HA 0.714 5.265 4.550 0.001 0.000 0.347 590 Y C 0.708 176.488 175.900 -0.199 0.000 0.981 590 Y CA -0.708 57.117 58.100 -0.457 0.000 1.033 590 Y CB 1.418 39.365 38.460 -0.854 0.000 1.245 590 Y HN 0.377 nan 8.280 nan 0.000 0.455 591 G N 0.909 109.634 108.800 -0.125 0.000 2.673 591 G HA2 0.361 4.322 3.960 0.001 0.000 0.208 591 G HA3 0.361 4.322 3.960 0.001 0.000 0.208 591 G C 0.504 175.474 174.900 0.115 0.000 1.128 591 G CA 0.150 45.357 45.100 0.179 0.000 0.805 591 G HN 0.969 nan 8.290 nan 0.000 0.526 592 A N 0.782 123.513 122.820 -0.149 0.000 2.448 592 A HA 0.405 4.725 4.320 0.001 0.000 0.239 592 A C -0.035 177.510 177.584 -0.065 0.000 1.080 592 A CA -0.344 51.494 52.037 -0.331 0.000 0.779 592 A CB -0.027 18.801 19.000 -0.287 0.000 1.026 592 A HN 0.400 nan 8.150 nan 0.000 0.499 593 N N 2.298 120.851 118.700 -0.244 0.000 2.468 593 N HA 0.254 4.994 4.740 0.001 0.000 0.265 593 N C -1.952 173.646 175.510 0.146 0.000 1.199 593 N CA -0.909 52.118 53.050 -0.037 0.000 0.928 593 N CB 0.541 38.966 38.487 -0.104 0.000 1.059 593 N HN 0.436 nan 8.380 nan 0.000 0.467 594 P HA -0.022 nan 4.420 nan 0.000 0.240 594 P C 0.484 177.755 177.300 -0.048 0.000 1.190 594 P CA 0.677 63.783 63.100 0.009 0.000 0.781 594 P CB 0.309 31.960 31.700 -0.083 0.000 0.931 595 T N 1.156 115.758 114.554 0.079 0.000 2.684 595 T HA -0.158 4.193 4.350 0.001 0.000 0.267 595 T C 1.798 176.606 174.700 0.180 0.000 1.036 595 T CA 1.108 63.282 62.100 0.122 0.000 1.148 595 T CB -0.906 68.055 68.868 0.154 0.000 0.863 595 T HN 0.026 nan 8.240 nan 0.000 0.436 596 L N 1.025 122.378 121.223 0.217 0.000 2.042 596 L HA -0.125 4.216 4.340 0.001 0.000 0.210 596 L C 2.523 179.497 176.870 0.173 0.000 1.076 596 L CA 1.779 56.787 54.840 0.280 0.000 0.749 596 L CB -1.044 41.157 42.059 0.236 0.000 0.893 596 L HN 0.215 nan 8.230 nan 0.000 0.432 597 T N -0.472 114.060 114.554 -0.037 0.000 2.777 597 T HA -0.141 4.210 4.350 0.001 0.000 0.266 597 T C 1.897 176.533 174.700 -0.107 0.000 1.040 597 T CA 1.262 63.241 62.100 -0.201 0.000 1.141 597 T CB -0.504 67.792 68.868 -0.953 0.000 0.868 597 T HN 0.520 nan 8.240 nan 0.000 0.444 598 A N 1.407 124.169 122.820 -0.096 0.000 1.933 598 A HA -0.043 4.278 4.320 0.001 0.000 0.218 598 A C 2.301 179.869 177.584 -0.027 0.000 1.175 598 A CA 1.721 53.736 52.037 -0.038 0.000 0.628 598 A CB -0.707 18.289 19.000 -0.007 0.000 0.814 598 A HN 0.527 nan 8.150 nan 0.000 0.444 599 M N -0.374 119.220 119.600 -0.010 0.000 2.132 599 M HA -0.133 4.347 4.480 0.001 0.000 0.263 599 M C 2.138 178.364 176.300 -0.123 0.000 1.065 599 M CA 2.055 57.320 55.300 -0.059 0.000 1.122 599 M CB -0.148 32.426 32.600 -0.043 0.000 1.365 599 M HN 0.371 nan 8.290 nan 0.000 0.411 600 S N 1.235 116.867 115.700 -0.114 0.000 2.370 600 S HA -0.144 4.327 4.470 0.001 0.000 0.226 600 S C 1.760 176.175 174.600 -0.307 0.000 1.033 600 S CA 1.491 59.554 58.200 -0.228 0.000 1.011 600 S CB -0.583 62.451 63.200 -0.276 0.000 0.852 600 S HN 0.511 nan 8.310 nan 0.000 0.457 601 L N 1.124 122.207 121.223 -0.233 0.000 2.042 601 L HA -0.167 4.173 4.340 0.001 0.000 0.210 601 L C 2.816 179.560 176.870 -0.209 0.000 1.076 601 L CA 1.274 55.982 54.840 -0.219 0.000 0.749 601 L CB -0.765 41.237 42.059 -0.095 0.000 0.893 601 L HN 0.332 nan 8.230 nan 0.000 0.432 602 A N 0.268 122.961 122.820 -0.212 0.000 1.933 602 A HA -0.182 4.139 4.320 0.001 0.000 0.218 602 A C 2.221 179.475 177.584 -0.549 0.000 1.175 602 A CA 1.512 53.296 52.037 -0.422 0.000 0.628 602 A CB -0.653 18.107 19.000 -0.400 0.000 0.814 602 A HN 0.351 nan 8.150 nan 0.000 0.444 603 I N -0.447 119.904 120.570 -0.364 0.000 2.127 603 I HA -0.304 3.867 4.170 0.001 0.000 0.241 603 I C 2.563 178.515 176.117 -0.276 0.000 1.075 603 I CA 2.040 63.162 61.300 -0.298 0.000 1.334 603 I CB -0.249 37.597 38.000 -0.256 0.000 1.040 603 I HN 0.396 nan 8.210 nan 0.000 0.405 604 K N 0.485 120.720 120.400 -0.274 0.000 2.057 604 K HA -0.221 4.100 4.320 0.001 0.000 0.207 604 K C 2.342 178.853 176.600 -0.148 0.000 1.049 604 K CA 1.807 57.962 56.287 -0.220 0.000 0.931 604 K CB -0.147 32.188 32.500 -0.275 0.000 0.714 604 K HN 0.122 nan 8.250 nan 0.000 0.440 605 S N -0.030 115.566 115.700 -0.173 0.000 2.374 605 S HA -0.184 4.286 4.470 0.001 0.000 0.227 605 S C 2.004 176.504 174.600 -0.166 0.000 1.037 605 S CA 1.537 59.676 58.200 -0.102 0.000 1.024 605 S CB -0.454 62.721 63.200 -0.042 0.000 0.861 605 S HN 0.582 nan 8.310 nan 0.000 0.456 606 C N 1.289 120.407 119.300 -0.304 0.000 2.450 606 C HA 0.067 4.527 4.460 0.001 0.000 0.279 606 C C 2.469 177.369 174.990 -0.150 0.000 1.335 606 C CA 0.434 59.284 59.018 -0.280 0.000 1.749 606 C CB -1.364 26.172 27.740 -0.340 0.000 1.963 606 C HN 0.676 nan 8.230 nan 0.000 0.501 607 E N -0.369 119.768 120.200 -0.106 0.000 2.077 607 E HA -0.259 4.091 4.350 0.001 0.000 0.193 607 E C 1.831 178.438 176.600 0.011 0.000 0.989 607 E CA 1.492 57.864 56.400 -0.047 0.000 0.800 607 E CB -0.336 29.332 29.700 -0.053 0.000 0.746 607 E HN 0.815 nan 8.360 nan 0.000 0.452 608 Y N 1.271 121.535 120.300 -0.061 0.000 2.128 608 Y HA -0.247 4.303 4.550 0.001 0.000 0.284 608 Y C 2.010 177.938 175.900 0.047 0.000 1.154 608 Y CA 1.567 59.674 58.100 0.011 0.000 1.149 608 Y CB -0.087 38.416 38.460 0.071 0.000 0.976 608 Y HN -0.048 nan 8.280 nan 0.000 0.505 609 I N 0.252 120.832 120.570 0.017 0.000 2.226 609 I HA -0.319 3.852 4.170 0.001 0.000 0.245 609 I C 2.294 178.449 176.117 0.065 0.000 1.100 609 I CA 1.595 62.894 61.300 -0.001 0.000 1.374 609 I CB -0.377 37.405 38.000 -0.363 0.000 1.057 609 I HN 0.156 nan 8.210 nan 0.000 0.413 610 K N 0.323 120.723 120.400 -0.001 0.000 2.209 610 K HA -0.206 4.115 4.320 0.001 0.000 0.204 610 K C 1.956 178.600 176.600 0.074 0.000 1.048 610 K CA 1.231 57.593 56.287 0.124 0.000 0.940 610 K CB -0.130 32.419 32.500 0.081 0.000 0.729 610 K HN 0.442 nan 8.250 nan 0.000 0.451 611 Q N -0.273 119.500 119.800 -0.046 0.000 2.424 611 Q HA 0.066 4.407 4.340 0.001 0.000 0.204 611 Q C 0.920 176.804 176.000 -0.194 0.000 0.933 611 Q CA 0.476 56.214 55.803 -0.108 0.000 0.929 611 Q CB 0.459 29.119 28.738 -0.129 0.000 1.037 611 Q HN 0.268 nan 8.270 nan 0.000 0.511 612 N N -1.046 117.502 118.700 -0.252 0.000 2.143 612 N HA 0.157 4.897 4.740 0.001 0.000 0.222 612 N C -1.030 174.081 175.510 -0.665 0.000 1.264 612 N CA 0.234 52.995 53.050 -0.481 0.000 0.897 612 N CB 1.093 39.121 38.487 -0.765 0.000 1.092 612 N HN -0.001 nan 8.380 nan 0.000 0.516 613 F N 0.419 120.384 119.950 0.026 0.000 2.581 613 F HA 0.318 4.845 4.527 0.001 0.000 0.311 613 F C -0.052 175.861 175.800 0.188 0.000 1.113 613 F CA -0.653 57.423 58.000 0.127 0.000 0.935 613 F CB 1.902 41.002 39.000 0.167 0.000 1.232 613 F HN -0.369 nan 8.300 nan 0.000 0.445 614 T N 3.944 118.650 114.554 0.254 0.000 2.767 614 T HA 0.432 4.783 4.350 0.001 0.000 0.284 614 T C -2.565 172.109 174.700 -0.043 0.000 0.973 614 T CA -1.445 60.688 62.100 0.054 0.000 0.996 614 T CB 1.154 70.031 68.868 0.016 0.000 0.927 614 T HN 0.117 nan 8.240 nan 0.000 0.456 615 P HA 0.153 nan 4.420 nan 0.000 0.269 615 P C 0.031 177.233 177.300 -0.163 0.000 1.209 615 P CA -0.467 62.347 63.100 -0.477 0.000 0.776 615 P CB 0.312 31.588 31.700 -0.707 0.000 0.876 616 S N 2.618 118.270 115.700 -0.079 0.000 2.584 616 S HA 0.302 4.772 4.470 0.001 0.000 0.270 616 S C -2.264 172.320 174.600 -0.027 0.000 1.346 616 S CA -0.971 57.209 58.200 -0.034 0.000 1.018 616 S CB -0.875 62.313 63.200 -0.020 0.000 0.899 616 S HN 0.258 nan 8.310 nan 0.000 0.542 617 P HA 0.195 nan 4.420 nan 0.000 0.271 617 P C -0.768 176.609 177.300 0.129 0.000 1.220 617 P CA -0.434 62.696 63.100 0.050 0.000 0.768 617 P CB 0.074 31.798 31.700 0.040 0.000 0.848 618 F N 3.930 123.863 119.950 -0.028 0.000 2.468 618 F HA 0.255 4.782 4.527 0.001 0.000 0.356 618 F C 0.601 176.392 175.800 -0.015 0.000 1.167 618 F CA 0.120 58.110 58.000 -0.017 0.000 1.135 618 F CB -0.776 38.216 39.000 -0.013 0.000 1.197 618 F HN 0.150 nan 8.300 nan 0.000 0.569 619 T N 0.000 114.805 114.554 0.419 0.000 3.816 619 T HA 0.000 4.351 4.350 0.001 0.000 0.228 619 T CA 0.000 62.206 62.100 0.176 0.000 1.349 619 T CB 0.000 68.930 68.868 0.103 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658