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 2igk_1_E 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 PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.258 176.300 -0.070 0.000 1.140 43 M CA 0.000 55.309 55.300 0.016 0.000 0.988 43 M CB 0.000 32.415 32.600 -0.308 0.000 1.302 44 D N 2.983 123.363 120.400 -0.034 0.000 2.447 44 D HA 0.456 5.096 4.640 -0.000 0.000 0.265 44 D C 0.837 177.051 176.300 -0.143 0.000 1.250 44 D CA -0.426 53.492 54.000 -0.137 0.000 1.046 44 D CB 0.683 41.363 40.800 -0.201 0.000 1.095 44 D HN 0.465 nan 8.370 nan 0.000 0.555 45 I N -4.245 116.235 120.570 -0.151 0.000 3.941 45 I HA 0.308 4.478 4.170 -0.000 0.000 0.321 45 I C 0.372 176.457 176.117 -0.054 0.000 1.284 45 I CA -0.246 61.023 61.300 -0.052 0.000 1.226 45 I CB -0.851 37.141 38.000 -0.013 0.000 1.045 45 I HN 0.155 nan 8.210 nan 0.000 0.420 46 K N 0.765 120.994 120.400 -0.284 0.000 2.507 46 K HA 0.581 4.901 4.320 -0.000 0.000 0.252 46 K C -1.794 174.496 176.600 -0.517 0.000 0.943 46 K CA -0.509 55.637 56.287 -0.236 0.000 0.808 46 K CB 1.024 33.444 32.500 -0.134 0.000 1.142 46 K HN 0.052 nan 8.250 nan 0.000 0.426 47 Y N 1.206 121.494 120.300 -0.019 0.000 2.602 47 Y HA 0.280 4.830 4.550 -0.000 0.000 0.342 47 Y C 0.704 176.577 175.900 -0.045 0.000 1.029 47 Y CA -0.773 57.306 58.100 -0.034 0.000 1.080 47 Y CB 1.802 40.239 38.460 -0.038 0.000 1.284 47 Y HN 0.601 nan 8.280 nan 0.000 0.485 48 D N 0.108 120.591 120.400 0.138 0.000 2.091 48 D HA 0.009 4.649 4.640 -0.000 0.000 0.199 48 D C -0.258 176.039 176.300 -0.006 0.000 0.980 48 D CA 1.486 55.550 54.000 0.105 0.000 0.831 48 D CB 0.155 41.082 40.800 0.213 0.000 0.987 48 D HN 0.115 nan 8.370 nan 0.000 0.460 49 V N 1.391 121.294 119.914 -0.018 0.000 2.588 49 V HA 0.377 4.497 4.120 -0.000 0.000 0.304 49 V C -0.177 175.824 176.094 -0.155 0.000 1.042 49 V CA -1.039 61.162 62.300 -0.165 0.000 0.877 49 V CB 2.272 33.975 31.823 -0.199 0.000 0.996 49 V HN 0.007 nan 8.190 nan 0.000 0.425 50 V N 3.191 122.968 119.914 -0.229 0.000 2.459 50 V HA 0.735 4.855 4.120 -0.000 0.000 0.295 50 V C -0.562 175.475 176.094 -0.095 0.000 1.029 50 V CA -0.564 61.661 62.300 -0.126 0.000 0.874 50 V CB 1.599 33.421 31.823 -0.001 0.000 0.985 50 V HN 0.686 nan 8.190 nan 0.000 0.438 51 I N 4.398 124.935 120.570 -0.054 0.000 2.406 51 I HA 0.468 4.638 4.170 -0.000 0.000 0.290 51 I C -0.541 175.601 176.117 0.041 0.000 0.999 51 I CA -0.924 60.332 61.300 -0.072 0.000 1.124 51 I CB 2.242 40.184 38.000 -0.096 0.000 1.289 51 I HN 0.442 nan 8.210 nan 0.000 0.441 52 V N 5.605 125.529 119.914 0.017 0.000 2.348 52 V HA 0.772 4.892 4.120 -0.000 0.000 0.270 52 V C 0.459 176.563 176.094 0.016 0.000 1.037 52 V CA -0.226 62.108 62.300 0.057 0.000 0.872 52 V CB 0.525 32.354 31.823 0.010 0.000 1.002 52 V HN 1.063 nan 8.190 nan 0.000 0.464 53 G N 3.973 112.797 108.800 0.040 0.000 2.906 53 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.686 53 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.686 53 G C -0.058 174.856 174.900 0.024 0.000 1.170 53 G CA -0.249 44.864 45.100 0.022 0.000 0.775 53 G HN 1.289 nan 8.290 nan 0.000 0.630 54 S N 1.009 116.725 115.700 0.027 0.000 2.588 54 S HA 0.607 5.077 4.470 -0.000 0.000 0.245 54 S C 1.308 175.917 174.600 0.014 0.000 1.021 54 S CA 0.726 58.949 58.200 0.038 0.000 1.006 54 S CB 0.598 63.835 63.200 0.061 0.000 0.830 54 S HN 1.943 nan 8.310 nan 0.000 0.468 55 G N 2.743 111.540 108.800 -0.006 0.000 2.583 55 G HA2 0.371 4.331 3.960 -0.000 0.000 0.275 55 G HA3 0.371 4.331 3.960 -0.000 0.000 0.275 55 G C -1.131 173.739 174.900 -0.050 0.000 1.342 55 G CA -1.172 43.904 45.100 -0.040 0.000 1.030 55 G HN 0.261 nan 8.290 nan 0.000 0.520 56 P HA -0.053 nan 4.420 nan 0.000 0.221 56 P C 1.692 178.923 177.300 -0.115 0.000 1.150 56 P CA 0.670 63.703 63.100 -0.111 0.000 0.800 56 P CB 0.199 31.845 31.700 -0.090 0.000 0.787 57 I N 0.416 120.955 120.570 -0.051 0.000 2.235 57 I HA -0.033 4.137 4.170 -0.000 0.000 0.241 57 I C 2.754 178.922 176.117 0.085 0.000 1.085 57 I CA 1.471 62.775 61.300 0.006 0.000 1.378 57 I CB -2.330 35.703 38.000 0.055 0.000 1.076 57 I HN -0.004 nan 8.210 nan 0.000 0.415 58 G N 0.363 109.198 108.800 0.058 0.000 2.505 58 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.220 58 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.220 58 G C 1.755 176.650 174.900 -0.007 0.000 1.145 58 G CA 1.232 46.356 45.100 0.040 0.000 0.761 58 G HN 0.432 nan 8.290 nan 0.000 0.571 59 C N 0.407 119.675 119.300 -0.054 0.000 2.432 59 C HA 0.068 4.528 4.460 -0.000 0.000 0.282 59 C C 3.152 178.005 174.990 -0.228 0.000 1.388 59 C CA 1.283 60.224 59.018 -0.128 0.000 1.777 59 C CB -0.952 26.762 27.740 -0.043 0.000 1.882 59 C HN 0.452 nan 8.230 nan 0.000 0.520 60 T N -0.076 114.371 114.554 -0.179 0.000 2.770 60 T HA -0.115 4.235 4.350 -0.000 0.000 0.263 60 T C 1.470 176.009 174.700 -0.268 0.000 1.039 60 T CA 1.458 63.420 62.100 -0.230 0.000 1.142 60 T CB -0.369 68.382 68.868 -0.196 0.000 0.868 60 T HN 0.539 nan 8.240 nan 0.000 0.435 61 Y N 1.648 121.809 120.300 -0.231 0.000 2.128 61 Y HA -0.110 4.440 4.550 -0.000 0.000 0.284 61 Y C 2.774 178.461 175.900 -0.354 0.000 1.154 61 Y CA 1.093 59.037 58.100 -0.260 0.000 1.149 61 Y CB -0.744 37.580 38.460 -0.227 0.000 0.976 61 Y HN 0.192 nan 8.280 nan 0.000 0.505 62 A N 0.165 122.799 122.820 -0.311 0.000 1.883 62 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 62 A C 2.292 179.331 177.584 -0.908 0.000 1.186 62 A CA 1.961 53.581 52.037 -0.694 0.000 0.624 62 A CB -0.831 17.491 19.000 -1.129 0.000 0.822 62 A HN 0.441 nan 8.150 nan 0.000 0.444 63 R N -0.420 119.584 120.500 -0.826 0.000 2.094 63 R HA -0.184 4.156 4.340 -0.000 0.000 0.239 63 R C 2.105 178.208 176.300 -0.329 0.000 1.137 63 R CA 1.886 57.663 56.100 -0.538 0.000 0.943 63 R CB -0.293 29.708 30.300 -0.498 0.000 0.850 63 R HN 0.605 nan 8.270 nan 0.000 0.433 64 E N 0.320 120.353 120.200 -0.278 0.000 2.047 64 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 64 E C 2.143 178.677 176.600 -0.111 0.000 0.987 64 E CA 1.305 57.616 56.400 -0.149 0.000 0.799 64 E CB -0.078 29.529 29.700 -0.155 0.000 0.752 64 E HN 0.426 nan 8.360 nan 0.000 0.449 65 L N 0.288 121.413 121.223 -0.163 0.000 2.162 65 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 65 L C 2.509 179.417 176.870 0.063 0.000 1.086 65 L CA 0.245 55.030 54.840 -0.092 0.000 0.778 65 L CB -0.218 41.675 42.059 -0.275 0.000 0.928 65 L HN -0.064 nan 8.230 nan 0.000 0.446 66 V N 0.482 120.348 119.914 -0.080 0.000 2.407 66 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 66 V C 2.569 178.684 176.094 0.035 0.000 1.055 66 V CA 1.992 64.284 62.300 -0.014 0.000 1.049 66 V CB -1.139 30.618 31.823 -0.110 0.000 0.662 66 V HN 0.560 nan 8.190 nan 0.000 0.455 67 G N -0.513 108.289 108.800 0.002 0.000 2.448 67 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.218 67 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.218 67 G C 1.427 176.358 174.900 0.050 0.000 1.135 67 G CA 0.723 45.839 45.100 0.028 0.000 0.784 67 G HN 0.617 nan 8.290 nan 0.000 0.543 68 A N -0.283 122.591 122.820 0.090 0.000 2.278 68 A HA 0.491 4.811 4.320 -0.000 0.000 0.212 68 A C 1.923 179.532 177.584 0.041 0.000 1.213 68 A CA 1.148 53.253 52.037 0.114 0.000 0.840 68 A CB -0.508 18.631 19.000 0.231 0.000 0.866 68 A HN 1.500 nan 8.150 nan 0.000 0.489 69 G N -2.066 106.759 108.800 0.042 0.000 2.176 69 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.253 69 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.253 69 G C 0.041 174.869 174.900 -0.120 0.000 0.979 69 G CA 0.273 45.344 45.100 -0.048 0.000 0.641 69 G HN 0.439 nan 8.290 nan 0.000 0.530 70 Y N 0.505 120.790 120.300 -0.024 0.000 2.457 70 Y HA 0.411 4.961 4.550 -0.000 0.000 0.341 70 Y C 1.122 177.000 175.900 -0.038 0.000 1.240 70 Y CA 0.256 58.339 58.100 -0.028 0.000 1.437 70 Y CB 0.634 39.074 38.460 -0.033 0.000 1.328 70 Y HN 0.115 nan 8.280 nan 0.000 0.588 71 K N 2.466 122.934 120.400 0.114 0.000 2.267 71 K HA 0.463 4.783 4.320 -0.000 0.000 0.282 71 K C -1.696 174.996 176.600 0.153 0.000 1.078 71 K CA -0.228 56.103 56.287 0.073 0.000 0.903 71 K CB 0.178 32.687 32.500 0.014 0.000 1.111 71 K HN 0.504 nan 8.250 nan 0.000 0.475 72 V N 3.438 123.421 119.914 0.115 0.000 2.459 72 V HA 0.550 4.670 4.120 -0.000 0.000 0.295 72 V C -0.220 175.746 176.094 -0.214 0.000 1.029 72 V CA -0.911 61.402 62.300 0.021 0.000 0.874 72 V CB 1.328 33.217 31.823 0.110 0.000 0.985 72 V HN 0.900 nan 8.190 nan 0.000 0.438 73 A N 5.837 128.367 122.820 -0.484 0.000 2.324 73 A HA 0.936 5.256 4.320 -0.000 0.000 0.330 73 A C -0.589 176.612 177.584 -0.639 0.000 1.165 73 A CA -0.623 50.896 52.037 -0.863 0.000 0.813 73 A CB 1.457 19.588 19.000 -1.448 0.000 1.197 73 A HN 0.909 nan 8.150 nan 0.000 0.484 74 M N 2.280 121.416 119.600 -0.773 0.000 2.326 74 M HA 0.714 5.194 4.480 -0.000 0.000 0.306 74 M C -2.155 173.790 176.300 -0.591 0.000 1.054 74 M CA -0.399 54.644 55.300 -0.430 0.000 0.922 74 M CB 1.138 33.678 32.600 -0.099 0.000 1.632 74 M HN 0.594 nan 8.290 nan 0.000 0.436 75 F N 2.374 122.311 119.950 -0.022 0.000 2.469 75 F HA 0.541 5.068 4.527 -0.000 0.000 0.332 75 F C -0.080 175.717 175.800 -0.005 0.000 1.103 75 F CA -0.513 57.497 58.000 0.017 0.000 0.979 75 F CB 1.401 40.395 39.000 -0.010 0.000 1.137 75 F HN 0.452 nan 8.300 nan 0.000 0.463 76 D N 2.944 123.434 120.400 0.151 0.000 2.780 76 D HA 0.239 4.879 4.640 -0.000 0.000 0.242 76 D C 0.616 176.940 176.300 0.040 0.000 1.135 76 D CA -0.335 53.706 54.000 0.068 0.000 0.859 76 D CB 2.445 43.267 40.800 0.036 0.000 1.530 76 D HN 0.649 nan 8.370 nan 0.000 0.493 77 I N 2.036 122.582 120.570 -0.040 0.000 2.493 77 I HA -0.002 4.168 4.170 -0.000 0.000 0.254 77 I C 1.155 177.222 176.117 -0.084 0.000 1.160 77 I CA 0.800 62.027 61.300 -0.121 0.000 1.445 77 I CB 0.171 37.979 38.000 -0.319 0.000 1.086 77 I HN 0.331 nan 8.210 nan 0.000 0.433 78 G N -0.108 108.664 108.800 -0.048 0.000 2.532 78 G HA2 0.398 4.358 3.960 -0.000 0.000 0.291 78 G HA3 0.398 4.358 3.960 -0.000 0.000 0.291 78 G C -0.862 174.052 174.900 0.023 0.000 1.349 78 G CA -0.412 44.686 45.100 -0.003 0.000 1.038 78 G HN 0.303 nan 8.290 nan 0.000 0.518 79 E N -1.456 118.764 120.200 0.034 0.000 2.320 79 E HA 0.377 4.727 4.350 -0.000 0.000 0.264 79 E C -0.524 176.099 176.600 0.037 0.000 0.923 79 E CA -0.767 55.655 56.400 0.037 0.000 0.796 79 E CB 2.572 32.297 29.700 0.042 0.000 1.262 79 E HN 0.264 nan 8.360 nan 0.000 0.428 80 I N 2.628 123.218 120.570 0.034 0.000 2.517 80 I HA 0.015 4.185 4.170 -0.000 0.000 0.285 80 I C -0.377 175.767 176.117 0.045 0.000 1.106 80 I CA 0.622 61.944 61.300 0.036 0.000 1.402 80 I CB 0.091 38.107 38.000 0.027 0.000 1.399 80 I HN 0.520 nan 8.210 nan 0.000 0.535 81 D N 3.058 123.491 120.400 0.055 0.000 3.602 81 D HA 0.057 4.697 4.640 -0.000 0.000 0.275 81 D C -0.343 176.009 176.300 0.088 0.000 1.348 81 D CA -0.375 53.665 54.000 0.067 0.000 0.768 81 D CB 0.098 40.936 40.800 0.063 0.000 1.373 81 D HN 0.230 nan 8.370 nan 0.000 0.683 82 S N -0.289 115.466 115.700 0.092 0.000 2.937 82 S HA 0.633 5.103 4.470 -0.000 0.000 0.252 82 S C 0.755 175.426 174.600 0.119 0.000 1.022 82 S CA 0.118 58.390 58.200 0.120 0.000 1.079 82 S CB 0.798 64.067 63.200 0.115 0.000 1.035 82 S HN 0.977 nan 8.310 nan 0.000 0.594 83 G N 1.360 110.218 108.800 0.097 0.000 2.660 83 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 83 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 83 G C 0.282 175.218 174.900 0.060 0.000 1.345 83 G CA -0.316 44.834 45.100 0.083 0.000 0.877 83 G HN 0.264 nan 8.290 nan 0.000 0.549 84 L N 0.147 121.400 121.223 0.050 0.000 2.275 84 L HA 0.068 4.408 4.340 -0.000 0.000 0.215 84 L C 1.546 178.430 176.870 0.023 0.000 1.119 84 L CA 1.119 55.977 54.840 0.030 0.000 0.790 84 L CB -0.357 41.715 42.059 0.022 0.000 0.919 84 L HN 0.328 nan 8.230 nan 0.000 0.443 85 K N 1.534 121.958 120.400 0.040 0.000 2.267 85 K HA 0.353 4.673 4.320 -0.000 0.000 0.282 85 K C -0.323 176.300 176.600 0.038 0.000 1.078 85 K CA -0.246 56.061 56.287 0.032 0.000 0.903 85 K CB 1.163 33.695 32.500 0.054 0.000 1.111 85 K HN 0.067 nan 8.250 nan 0.000 0.475 86 I N 1.870 122.446 120.570 0.010 0.000 2.556 86 I HA -0.014 4.156 4.170 -0.000 0.000 0.284 86 I C 1.333 177.469 176.117 0.031 0.000 1.114 86 I CA 0.561 61.872 61.300 0.019 0.000 1.418 86 I CB 0.647 38.648 38.000 0.002 0.000 1.394 86 I HN 0.956 nan 8.210 nan 0.000 0.552 87 G N 4.427 113.256 108.800 0.048 0.000 2.179 87 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.257 87 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.257 87 G C 0.360 175.307 174.900 0.079 0.000 1.010 87 G CA 0.204 45.336 45.100 0.053 0.000 0.736 87 G HN 0.954 nan 8.290 nan 0.000 0.513 88 A N -0.531 122.353 122.820 0.105 0.000 2.272 88 A HA 0.601 4.921 4.320 -0.000 0.000 0.275 88 A C 0.619 178.327 177.584 0.207 0.000 1.096 88 A CA -0.325 51.810 52.037 0.165 0.000 0.822 88 A CB 0.259 19.358 19.000 0.166 0.000 1.088 88 A HN 0.601 nan 8.150 nan 0.000 0.495 89 H N 0.507 119.714 119.070 0.229 0.000 2.975 89 H HA 0.089 4.645 4.556 -0.000 0.000 0.303 89 H C 0.768 176.231 175.328 0.225 0.000 1.023 89 H CA 0.715 56.916 56.048 0.254 0.000 1.473 89 H CB 0.736 30.669 29.762 0.285 0.000 1.498 89 H HN 0.675 nan 8.280 nan 0.000 0.549 90 K N 3.308 123.933 120.400 0.376 0.000 2.362 90 K HA -0.112 4.208 4.320 -0.000 0.000 0.200 90 K C 1.608 178.478 176.600 0.450 0.000 1.046 90 K CA 1.043 57.602 56.287 0.454 0.000 0.952 90 K CB 0.261 33.055 32.500 0.489 0.000 0.753 90 K HN 0.555 nan 8.250 nan 0.000 0.466 91 K N -0.119 120.387 120.400 0.177 0.000 2.458 91 K HA 0.065 4.385 4.320 -0.000 0.000 0.194 91 K C 0.310 176.911 176.600 0.002 0.000 1.024 91 K CA 0.352 56.428 56.287 -0.352 0.000 1.108 91 K CB 0.241 31.875 32.500 -1.444 0.000 0.846 91 K HN -0.101 nan 8.250 nan 0.000 0.518 92 N N 2.448 121.259 118.700 0.185 0.000 2.410 92 N HA -0.009 4.731 4.740 -0.000 0.000 0.231 92 N C -0.526 175.199 175.510 0.359 0.000 1.172 92 N CA 0.354 53.531 53.050 0.212 0.000 0.849 92 N CB 0.658 39.332 38.487 0.311 0.000 1.116 92 N HN 0.440 nan 8.380 nan 0.000 0.485 93 T N -4.044 110.710 114.554 0.334 0.000 2.943 93 T HA 0.322 4.672 4.350 -0.000 0.000 0.284 93 T C 1.640 176.521 174.700 0.301 0.000 1.015 93 T CA -0.773 61.514 62.100 0.312 0.000 1.042 93 T CB 1.658 70.668 68.868 0.237 0.000 1.055 93 T HN -0.196 nan 8.240 nan 0.000 0.500 94 V N 1.226 121.304 119.914 0.273 0.000 2.392 94 V HA -0.138 3.982 4.120 -0.000 0.000 0.249 94 V C 2.889 179.053 176.094 0.116 0.000 1.059 94 V CA 1.771 64.214 62.300 0.237 0.000 1.051 94 V CB -0.856 31.056 31.823 0.148 0.000 0.658 94 V HN 0.876 nan 8.190 nan 0.000 0.455 95 E N -0.378 119.832 120.200 0.017 0.000 2.058 95 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 95 E C 2.139 178.679 176.600 -0.101 0.000 0.997 95 E CA 1.657 57.992 56.400 -0.109 0.000 0.801 95 E CB -0.296 29.232 29.700 -0.286 0.000 0.746 95 E HN 0.753 nan 8.360 nan 0.000 0.450 96 Y N 1.030 121.397 120.300 0.112 0.000 2.439 96 Y HA -0.049 4.501 4.550 -0.000 0.000 0.292 96 Y C 2.407 178.321 175.900 0.023 0.000 1.130 96 Y CA 0.641 58.794 58.100 0.088 0.000 1.254 96 Y CB -0.097 38.429 38.460 0.109 0.000 1.000 96 Y HN 0.033 nan 8.280 nan 0.000 0.554 97 Q N 0.296 120.174 119.800 0.131 0.000 2.230 97 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 97 Q C 1.749 177.799 176.000 0.083 0.000 0.963 97 Q CA 1.006 56.838 55.803 0.049 0.000 0.866 97 Q CB -0.067 28.657 28.738 -0.024 0.000 0.931 97 Q HN 0.510 nan 8.270 nan 0.000 0.452 98 K N 0.445 120.900 120.400 0.092 0.000 2.186 98 K HA 0.039 4.359 4.320 -0.000 0.000 0.202 98 K C 0.394 177.040 176.600 0.076 0.000 1.052 98 K CA 0.491 56.821 56.287 0.073 0.000 0.965 98 K CB 0.367 32.899 32.500 0.053 0.000 0.746 98 K HN 0.088 nan 8.250 nan 0.000 0.457 99 N N 1.359 120.122 118.700 0.105 0.000 2.844 99 N HA 0.077 4.817 4.740 -0.000 0.000 0.268 99 N C 0.241 175.880 175.510 0.215 0.000 1.574 99 N CA -0.007 53.121 53.050 0.130 0.000 0.838 99 N CB 1.169 39.717 38.487 0.101 0.000 1.177 99 N HN 0.039 nan 8.380 nan 0.000 0.495 100 I N 0.471 121.147 120.570 0.178 0.000 2.394 100 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 100 I C 0.821 177.065 176.117 0.212 0.000 1.136 100 I CA 1.415 62.825 61.300 0.183 0.000 1.425 100 I CB 0.287 38.347 38.000 0.101 0.000 1.079 100 I HN 0.144 nan 8.210 nan 0.000 0.425 101 D N 0.903 121.422 120.400 0.199 0.000 2.263 101 D HA -0.151 4.489 4.640 -0.000 0.000 0.208 101 D C 1.974 178.374 176.300 0.168 0.000 0.971 101 D CA 0.627 54.743 54.000 0.193 0.000 0.867 101 D CB -0.011 40.929 40.800 0.234 0.000 0.929 101 D HN 0.222 nan 8.370 nan 0.000 0.492 102 K N -0.055 120.482 120.400 0.228 0.000 2.283 102 K HA -0.080 4.240 4.320 -0.000 0.000 0.202 102 K C 1.743 178.464 176.600 0.203 0.000 1.048 102 K CA 0.036 56.470 56.287 0.245 0.000 0.948 102 K CB -0.431 32.269 32.500 0.333 0.000 0.742 102 K HN 0.219 nan 8.250 nan 0.000 0.458 103 F N 1.122 121.060 119.950 -0.020 0.000 2.293 103 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 103 F C 2.098 177.778 175.800 -0.200 0.000 1.086 103 F CA 0.486 58.303 58.000 -0.305 0.000 1.375 103 F CB -0.247 38.548 39.000 -0.343 0.000 1.045 103 F HN -0.215 nan 8.300 nan 0.000 0.516 104 V N 0.797 120.639 119.914 -0.121 0.000 2.380 104 V HA -0.386 3.734 4.120 -0.000 0.000 0.251 104 V C 1.749 177.667 176.094 -0.293 0.000 1.063 104 V CA 2.861 65.037 62.300 -0.208 0.000 1.055 104 V CB -0.645 31.071 31.823 -0.178 0.000 0.657 104 V HN 0.475 nan 8.190 nan 0.000 0.455 105 N N -0.525 118.032 118.700 -0.238 0.000 2.244 105 N HA -0.103 4.637 4.740 -0.000 0.000 0.183 105 N C 1.615 176.949 175.510 -0.294 0.000 1.016 105 N CA 1.437 54.364 53.050 -0.206 0.000 0.866 105 N CB -0.224 38.203 38.487 -0.100 0.000 0.980 105 N HN 0.441 nan 8.380 nan 0.000 0.430 106 V N 1.201 120.815 119.914 -0.500 0.000 2.307 106 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 106 V C 2.044 177.804 176.094 -0.557 0.000 1.045 106 V CA 1.345 63.295 62.300 -0.585 0.000 1.024 106 V CB -0.493 30.694 31.823 -1.060 0.000 0.651 106 V HN 0.297 nan 8.190 nan 0.000 0.449 107 I N -0.233 119.911 120.570 -0.711 0.000 2.127 107 I HA -0.351 3.819 4.170 -0.000 0.000 0.241 107 I C 2.725 178.598 176.117 -0.406 0.000 1.075 107 I CA 1.859 62.799 61.300 -0.600 0.000 1.334 107 I CB -0.474 37.209 38.000 -0.528 0.000 1.040 107 I HN 0.354 nan 8.210 nan 0.000 0.405 108 Q N 0.359 119.973 119.800 -0.310 0.000 2.170 108 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 108 Q C 2.288 178.193 176.000 -0.159 0.000 0.976 108 Q CA 1.486 57.163 55.803 -0.210 0.000 0.858 108 Q CB -0.404 28.225 28.738 -0.181 0.000 0.907 108 Q HN 0.666 nan 8.270 nan 0.000 0.433 109 G N 1.196 109.899 108.800 -0.162 0.000 2.509 109 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 109 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 109 G C 0.995 175.853 174.900 -0.070 0.000 1.124 109 G CA 0.713 45.753 45.100 -0.101 0.000 0.776 109 G HN 0.477 nan 8.290 nan 0.000 0.547 110 Q N -0.635 119.111 119.800 -0.091 0.000 2.141 110 Q HA 0.447 4.787 4.340 -0.000 0.000 0.248 110 Q C -0.387 175.611 176.000 -0.003 0.000 0.834 110 Q CA -0.301 55.489 55.803 -0.021 0.000 1.096 110 Q CB 0.142 28.893 28.738 0.021 0.000 1.189 110 Q HN 0.238 nan 8.270 nan 0.000 0.471 111 L N 2.168 123.364 121.223 -0.045 0.000 2.294 111 L HA 0.535 4.875 4.340 -0.000 0.000 0.283 111 L C -0.679 176.197 176.870 0.009 0.000 1.015 111 L CA -0.757 54.076 54.840 -0.012 0.000 0.831 111 L CB 1.498 43.517 42.059 -0.066 0.000 1.217 111 L HN 0.252 nan 8.230 nan 0.000 0.420 112 M N 2.019 121.649 119.600 0.050 0.000 2.149 112 M HA 0.317 4.797 4.480 -0.000 0.000 0.342 112 M C 0.079 176.418 176.300 0.064 0.000 1.068 112 M CA -0.495 54.840 55.300 0.058 0.000 0.991 112 M CB 1.249 33.906 32.600 0.095 0.000 1.596 112 M HN 0.347 nan 8.290 nan 0.000 0.439 113 S N 1.954 117.679 115.700 0.042 0.000 2.546 113 S HA 0.119 4.589 4.470 -0.000 0.000 0.290 113 S C 1.676 176.315 174.600 0.064 0.000 1.290 113 S CA -0.483 57.742 58.200 0.042 0.000 1.069 113 S CB 0.722 63.933 63.200 0.019 0.000 0.846 113 S HN 0.535 nan 8.310 nan 0.000 0.495 114 V N 2.718 122.685 119.914 0.088 0.000 2.270 114 V HA -0.014 4.106 4.120 -0.000 0.000 0.245 114 V C 1.234 177.335 176.094 0.011 0.000 1.043 114 V CA 1.473 63.818 62.300 0.074 0.000 1.014 114 V CB -0.036 31.876 31.823 0.150 0.000 0.645 114 V HN 0.787 nan 8.190 nan 0.000 0.447 115 S N -0.610 115.118 115.700 0.047 0.000 2.736 115 S HA 0.551 5.021 4.470 -0.000 0.000 0.285 115 S C -1.132 173.471 174.600 0.006 0.000 1.163 115 S CA -0.473 57.716 58.200 -0.019 0.000 1.025 115 S CB 1.525 64.677 63.200 -0.079 0.000 1.030 115 S HN 0.012 nan 8.310 nan 0.000 0.486 116 V N 7.893 127.797 119.914 -0.017 0.000 2.384 116 V HA 0.559 4.679 4.120 -0.000 0.000 0.287 116 V C -1.985 174.091 176.094 -0.030 0.000 1.020 116 V CA -1.807 60.482 62.300 -0.018 0.000 0.850 116 V CB 1.573 33.385 31.823 -0.018 0.000 0.987 116 V HN 0.720 nan 8.190 nan 0.000 0.436 117 P HA 0.179 nan 4.420 nan 0.000 0.274 117 P C -0.173 177.101 177.300 -0.044 0.000 1.246 117 P CA -0.157 62.921 63.100 -0.036 0.000 0.795 117 P CB 0.970 32.650 31.700 -0.034 0.000 1.006 118 V N 2.481 122.372 119.914 -0.038 0.000 2.557 118 V HA -0.071 4.049 4.120 -0.000 0.000 0.301 118 V C 1.353 177.396 176.094 -0.085 0.000 1.026 118 V CA 0.283 62.556 62.300 -0.044 0.000 1.137 118 V CB -0.908 30.910 31.823 -0.008 0.000 0.917 118 V HN 0.626 nan 8.190 nan 0.000 0.484 119 N N 3.913 122.557 118.700 -0.093 0.000 2.475 119 N HA 0.048 4.788 4.740 -0.000 0.000 0.267 119 N C 0.706 176.069 175.510 -0.246 0.000 1.169 119 N CA 0.534 53.508 53.050 -0.127 0.000 0.947 119 N CB 1.418 39.857 38.487 -0.081 0.000 1.061 119 N HN 0.881 nan 8.380 nan 0.000 0.466 120 T N 1.065 115.358 114.554 -0.435 0.000 3.252 120 T HA 0.155 4.505 4.350 -0.000 0.000 0.286 120 T C 0.562 174.820 174.700 -0.738 0.000 1.013 120 T CA -0.544 60.909 62.100 -1.078 0.000 0.914 120 T CB -0.207 68.104 68.868 -0.928 0.000 1.131 120 T HN 0.282 nan 8.240 nan 0.000 0.529 121 L N 2.584 123.643 121.223 -0.274 0.000 2.416 121 L HA 0.484 4.824 4.340 -0.000 0.000 0.272 121 L C -0.274 176.655 176.870 0.097 0.000 1.161 121 L CA -0.234 54.554 54.840 -0.086 0.000 0.845 121 L CB 0.857 42.892 42.059 -0.040 0.000 1.119 121 L HN 0.107 nan 8.230 nan 0.000 0.464 122 V N 6.234 126.218 119.914 0.118 0.000 2.406 122 V HA 0.240 4.360 4.120 -0.000 0.000 0.272 122 V C -0.118 176.043 176.094 0.111 0.000 1.043 122 V CA -0.561 61.857 62.300 0.197 0.000 0.915 122 V CB 1.246 33.167 31.823 0.163 0.000 0.988 122 V HN 0.530 nan 8.190 nan 0.000 0.466 123 V N 5.482 125.462 119.914 0.109 0.000 2.277 123 V HA 0.287 4.407 4.120 -0.000 0.000 0.269 123 V C 0.339 176.461 176.094 0.047 0.000 1.036 123 V CA -0.426 61.914 62.300 0.067 0.000 0.821 123 V CB 1.043 32.905 31.823 0.066 0.000 1.052 123 V HN 1.060 nan 8.190 nan 0.000 0.462 124 D N 1.898 122.319 120.400 0.035 0.000 2.462 124 D HA 0.002 4.642 4.640 -0.000 0.000 0.221 124 D C 1.168 177.476 176.300 0.014 0.000 1.173 124 D CA 0.211 54.222 54.000 0.019 0.000 0.831 124 D CB 0.358 41.168 40.800 0.017 0.000 1.001 124 D HN 0.543 nan 8.370 nan 0.000 0.499 125 T N -1.936 112.629 114.554 0.018 0.000 3.228 125 T HA 0.320 4.670 4.350 -0.000 0.000 0.278 125 T C 0.729 175.440 174.700 0.018 0.000 1.014 125 T CA -0.565 61.544 62.100 0.015 0.000 0.904 125 T CB -0.230 68.648 68.868 0.016 0.000 1.110 125 T HN 0.014 nan 8.240 nan 0.000 0.541 126 L N 2.000 123.235 121.223 0.021 0.000 2.483 126 L HA 0.253 4.593 4.340 -0.000 0.000 0.275 126 L C 1.168 178.049 176.870 0.018 0.000 1.220 126 L CA -0.427 54.428 54.840 0.026 0.000 0.833 126 L CB 0.328 42.406 42.059 0.031 0.000 1.102 126 L HN 0.254 nan 8.230 nan 0.000 0.490 127 S N 1.882 117.596 115.700 0.022 0.000 2.558 127 S HA 0.077 4.547 4.470 -0.000 0.000 0.288 127 S C -1.430 173.176 174.600 0.011 0.000 1.318 127 S CA -1.018 57.192 58.200 0.017 0.000 1.056 127 S CB 0.795 64.008 63.200 0.023 0.000 0.853 127 S HN 0.387 nan 8.310 nan 0.000 0.505 128 P HA -0.075 nan 4.420 nan 0.000 0.221 128 P C 1.337 178.636 177.300 -0.001 0.000 1.145 128 P CA 1.287 64.383 63.100 -0.007 0.000 0.795 128 P CB -0.146 31.549 31.700 -0.008 0.000 0.775 129 T N -5.623 108.939 114.554 0.014 0.000 3.055 129 T HA 0.085 4.435 4.350 -0.000 0.000 0.265 129 T C 1.006 175.736 174.700 0.050 0.000 1.111 129 T CA 0.120 62.236 62.100 0.026 0.000 1.118 129 T CB -0.545 68.341 68.868 0.029 0.000 0.909 129 T HN -0.105 nan 8.240 nan 0.000 0.501 130 S N 1.319 117.052 115.700 0.055 0.000 2.565 130 S HA 0.307 4.777 4.470 -0.000 0.000 0.276 130 S C -0.578 174.100 174.600 0.131 0.000 1.326 130 S CA -1.016 57.245 58.200 0.101 0.000 1.045 130 S CB 0.194 63.450 63.200 0.093 0.000 0.918 130 S HN 0.600 nan 8.310 nan 0.000 0.505 131 W N 3.219 124.526 121.300 0.013 0.000 2.264 131 W HA 0.175 4.835 4.660 -0.000 0.000 0.331 131 W C 0.261 176.795 176.519 0.025 0.000 1.364 131 W CA 0.308 57.660 57.345 0.012 0.000 1.253 131 W CB 0.200 29.666 29.460 0.011 0.000 1.215 131 W HN 0.540 nan 8.180 nan 0.000 0.561 132 Q N 5.184 124.645 119.800 -0.565 0.000 2.323 132 Q HA 0.591 4.931 4.340 -0.000 0.000 0.271 132 Q C -0.591 174.935 176.000 -0.790 0.000 1.048 132 Q CA -0.872 54.685 55.803 -0.410 0.000 0.792 132 Q CB 1.729 30.311 28.738 -0.260 0.000 1.280 132 Q HN 0.616 nan 8.270 nan 0.000 0.441 133 A N 2.273 124.849 122.820 -0.407 0.000 2.445 133 A HA 0.228 4.548 4.320 -0.000 0.000 0.242 133 A C 0.466 177.875 177.584 -0.292 0.000 1.075 133 A CA 0.058 51.925 52.037 -0.282 0.000 0.777 133 A CB 0.616 19.711 19.000 0.159 0.000 1.013 133 A HN 0.882 nan 8.150 nan 0.000 0.493 134 S N -0.565 114.993 115.700 -0.236 0.000 2.503 134 S HA 0.135 4.605 4.470 -0.000 0.000 0.215 134 S C 0.809 175.305 174.600 -0.173 0.000 1.003 134 S CA 0.804 58.887 58.200 -0.194 0.000 0.910 134 S CB -0.085 63.025 63.200 -0.151 0.000 0.790 134 S HN 1.131 nan 8.310 nan 0.000 0.514 135 T N -1.423 113.069 114.554 -0.103 0.000 2.841 135 T HA 0.627 4.977 4.350 -0.000 0.000 0.296 135 T C -0.998 173.646 174.700 -0.094 0.000 1.166 135 T CA -0.741 61.293 62.100 -0.111 0.000 1.007 135 T CB 0.662 69.570 68.868 0.067 0.000 1.253 135 T HN -0.095 nan 8.240 nan 0.000 0.511 136 F N 3.017 123.038 119.950 0.119 0.000 2.605 136 F HA 0.394 4.921 4.527 -0.000 0.000 0.352 136 F C 0.423 176.255 175.800 0.053 0.000 1.236 136 F CA -1.778 56.241 58.000 0.032 0.000 1.267 136 F CB -0.963 38.035 39.000 -0.003 0.000 1.632 136 F HN 0.562 nan 8.300 nan 0.000 0.639 137 F N -0.654 119.392 119.950 0.160 0.000 2.368 137 F HA 0.614 5.141 4.527 -0.000 0.000 0.308 137 F C -0.098 175.773 175.800 0.118 0.000 1.198 137 F CA -1.589 56.486 58.000 0.125 0.000 1.130 137 F CB -0.087 38.979 39.000 0.109 0.000 1.300 137 F HN -0.178 nan 8.300 nan 0.000 0.537 138 V N 2.819 122.876 119.914 0.239 0.000 2.421 138 V HA 0.291 4.411 4.120 -0.000 0.000 0.271 138 V C 0.086 176.212 176.094 0.053 0.000 1.031 138 V CA -0.032 62.325 62.300 0.095 0.000 1.032 138 V CB -0.536 31.363 31.823 0.126 0.000 1.009 138 V HN 0.711 nan 8.190 nan 0.000 0.477 139 R N 3.855 124.282 120.500 -0.121 0.000 2.795 139 R HA 0.484 4.824 4.340 -0.000 0.000 0.275 139 R C 0.223 176.488 176.300 -0.057 0.000 0.981 139 R CA -0.924 55.093 56.100 -0.139 0.000 0.917 139 R CB 1.257 31.346 30.300 -0.351 0.000 1.202 139 R HN 0.674 nan 8.270 nan 0.000 0.469 140 N N 0.621 119.310 118.700 -0.018 0.000 2.725 140 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 140 N C 0.496 175.999 175.510 -0.012 0.000 1.103 140 N CA 1.578 54.618 53.050 -0.016 0.000 0.707 140 N CB -1.136 37.334 38.487 -0.029 0.000 1.043 140 N HN 1.075 nan 8.380 nan 0.000 0.553 141 G N -1.965 106.834 108.800 -0.002 0.000 2.176 141 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.253 141 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.253 141 G C 0.266 175.163 174.900 -0.005 0.000 0.979 141 G CA 0.903 46.003 45.100 -0.000 0.000 0.641 141 G HN 1.323 nan 8.290 nan 0.000 0.530 142 S N -0.449 115.243 115.700 -0.014 0.000 2.584 142 S HA 0.475 4.945 4.470 -0.000 0.000 0.270 142 S C 0.120 174.712 174.600 -0.014 0.000 1.346 142 S CA 0.171 58.359 58.200 -0.020 0.000 1.018 142 S CB 1.702 64.882 63.200 -0.034 0.000 0.899 142 S HN 0.676 nan 8.310 nan 0.000 0.542 143 N N 1.902 120.585 118.700 -0.028 0.000 2.546 143 N HA 0.372 5.112 4.740 -0.000 0.000 0.238 143 N C -1.736 173.758 175.510 -0.027 0.000 0.984 143 N CA -2.544 50.482 53.050 -0.040 0.000 0.935 143 N CB 1.248 39.683 38.487 -0.088 0.000 1.122 143 N HN 0.360 nan 8.380 nan 0.000 0.510 144 P HA -0.057 nan 4.420 nan 0.000 0.230 144 P C 0.280 177.601 177.300 0.035 0.000 1.158 144 P CA 0.875 63.992 63.100 0.028 0.000 0.769 144 P CB 0.545 32.278 31.700 0.055 0.000 0.807 145 E N -0.250 119.955 120.200 0.009 0.000 2.358 145 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 145 E C 0.879 177.480 176.600 0.002 0.000 1.010 145 E CA 0.531 56.956 56.400 0.042 0.000 0.856 145 E CB -0.108 29.564 29.700 -0.046 0.000 0.795 145 E HN 0.307 nan 8.360 nan 0.000 0.504 146 Q N 2.236 122.003 119.800 -0.055 0.000 2.314 146 Q HA 0.033 4.373 4.340 -0.000 0.000 0.257 146 Q C -0.837 175.164 176.000 0.003 0.000 0.975 146 Q CA -0.199 55.569 55.803 -0.058 0.000 0.933 146 Q CB 0.764 29.455 28.738 -0.078 0.000 1.195 146 Q HN -0.198 nan 8.270 nan 0.000 0.426 147 D N 6.048 126.468 120.400 0.035 0.000 2.358 147 D HA 0.059 4.699 4.640 -0.000 0.000 0.258 147 D C -1.674 174.638 176.300 0.021 0.000 1.223 147 D CA -1.867 52.156 54.000 0.038 0.000 0.886 147 D CB 1.307 42.145 40.800 0.062 0.000 1.120 147 D HN 0.434 nan 8.370 nan 0.000 0.482 148 P HA -0.094 nan 4.420 nan 0.000 0.222 148 P C 1.283 178.582 177.300 -0.001 0.000 1.147 148 P CA 0.726 63.821 63.100 -0.008 0.000 0.790 148 P CB 0.325 32.008 31.700 -0.029 0.000 0.780 149 L N -1.364 119.862 121.223 0.006 0.000 2.592 149 L HA 0.176 4.516 4.340 -0.000 0.000 0.227 149 L C 1.513 178.394 176.870 0.018 0.000 1.127 149 L CA 0.245 55.089 54.840 0.007 0.000 0.884 149 L CB -0.130 41.930 42.059 0.001 0.000 1.065 149 L HN -0.179 nan 8.230 nan 0.000 0.457 150 R N -0.106 120.414 120.500 0.033 0.000 2.734 150 R HA 0.208 4.548 4.340 -0.000 0.000 0.395 150 R C -0.486 175.865 176.300 0.085 0.000 1.096 150 R CA -0.249 55.883 56.100 0.053 0.000 1.071 150 R CB 0.377 30.712 30.300 0.058 0.000 1.348 150 R HN 0.050 nan 8.270 nan 0.000 0.600 151 N N 0.497 119.225 118.700 0.047 0.000 2.471 151 N HA 0.390 5.130 4.740 -0.000 0.000 0.288 151 N C -0.793 174.629 175.510 -0.146 0.000 1.220 151 N CA -0.640 52.420 53.050 0.017 0.000 0.893 151 N CB 1.249 39.745 38.487 0.015 0.000 1.256 151 N HN 0.072 nan 8.380 nan 0.000 0.534 152 L N 2.017 122.986 121.223 -0.423 0.000 2.417 152 L HA 0.234 4.574 4.340 -0.000 0.000 0.258 152 L C 1.461 178.135 176.870 -0.327 0.000 1.088 152 L CA -0.318 54.164 54.840 -0.597 0.000 0.975 152 L CB 0.571 41.904 42.059 -1.209 0.000 1.341 152 L HN 0.657 nan 8.230 nan 0.000 0.431 153 S N 0.122 115.731 115.700 -0.152 0.000 2.400 153 S HA -0.141 4.329 4.470 -0.000 0.000 0.232 153 S C 1.806 176.366 174.600 -0.067 0.000 1.025 153 S CA 1.163 59.320 58.200 -0.071 0.000 0.993 153 S CB -0.254 62.920 63.200 -0.043 0.000 0.808 153 S HN 0.651 nan 8.310 nan 0.000 0.478 154 G N 0.504 109.248 108.800 -0.093 0.000 2.712 154 G HA2 0.074 4.034 3.960 -0.000 0.000 0.212 154 G HA3 0.074 4.034 3.960 -0.000 0.000 0.212 154 G C 0.587 175.446 174.900 -0.068 0.000 1.142 154 G CA -0.255 44.803 45.100 -0.071 0.000 0.789 154 G HN 0.385 nan 8.290 nan 0.000 0.535 155 Q N 0.628 120.363 119.800 -0.108 0.000 2.300 155 Q HA 0.486 4.826 4.340 -0.000 0.000 0.280 155 Q C -0.074 175.952 176.000 0.044 0.000 1.033 155 Q CA 0.275 56.048 55.803 -0.050 0.000 0.903 155 Q CB 1.322 29.996 28.738 -0.107 0.000 1.195 155 Q HN 0.292 nan 8.270 nan 0.000 0.386 156 A N 2.186 125.043 122.820 0.062 0.000 2.594 156 A HA 0.766 5.086 4.320 -0.000 0.000 0.291 156 A C -0.947 176.702 177.584 0.108 0.000 1.105 156 A CA -0.514 51.569 52.037 0.077 0.000 0.694 156 A CB 1.386 20.413 19.000 0.044 0.000 1.291 156 A HN 0.494 nan 8.150 nan 0.000 0.410 157 V N -2.283 117.708 119.914 0.128 0.000 3.074 157 V HA 0.957 5.077 4.120 -0.000 0.000 0.314 157 V C -0.492 175.692 176.094 0.150 0.000 1.117 157 V CA -0.508 61.890 62.300 0.164 0.000 1.014 157 V CB 1.668 33.641 31.823 0.249 0.000 1.057 157 V HN 0.888 nan 8.190 nan 0.000 0.438 158 T N 2.498 117.141 114.554 0.149 0.000 2.840 158 T HA 0.573 4.923 4.350 -0.000 0.000 0.287 158 T C -0.430 174.320 174.700 0.083 0.000 0.991 158 T CA -0.456 61.721 62.100 0.129 0.000 0.964 158 T CB 1.078 70.050 68.868 0.173 0.000 0.954 158 T HN 0.781 nan 8.240 nan 0.000 0.438 159 R N 2.619 123.154 120.500 0.059 0.000 2.396 159 R HA 0.617 4.956 4.340 -0.000 0.000 0.292 159 R C -0.627 175.688 176.300 0.025 0.000 1.240 159 R CA -0.620 55.486 56.100 0.010 0.000 1.270 159 R CB 0.782 31.057 30.300 -0.042 0.000 1.108 159 R HN 0.505 nan 8.270 nan 0.000 0.573 160 V N -1.802 118.128 119.914 0.026 0.000 3.178 160 V HA 0.450 4.570 4.120 -0.000 0.000 0.302 160 V C -0.049 176.060 176.094 0.024 0.000 1.262 160 V CA -1.175 61.145 62.300 0.033 0.000 1.030 160 V CB 1.927 33.779 31.823 0.048 0.000 1.074 160 V HN 0.139 nan 8.190 nan 0.000 0.438 161 V N 3.011 122.942 119.914 0.029 0.000 2.540 161 V HA 0.505 4.625 4.120 -0.000 0.000 0.297 161 V C 1.694 177.803 176.094 0.026 0.000 1.024 161 V CA 2.016 64.334 62.300 0.029 0.000 1.105 161 V CB 0.113 31.957 31.823 0.035 0.000 0.938 161 V HN 2.063 nan 8.190 nan 0.000 0.482 162 G N 3.362 112.172 108.800 0.017 0.000 2.213 162 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.236 162 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.236 162 G C 1.003 175.875 174.900 -0.048 0.000 0.991 162 G CA 0.275 45.372 45.100 -0.004 0.000 0.629 162 G HN 2.110 nan 8.290 nan 0.000 0.517 163 G N 0.145 108.926 108.800 -0.031 0.000 2.581 163 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.291 163 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.291 163 G C 1.177 176.007 174.900 -0.116 0.000 1.277 163 G CA 1.228 46.301 45.100 -0.044 0.000 0.959 163 G HN 1.093 nan 8.290 nan 0.000 0.554 164 M N 1.473 120.969 119.600 -0.174 0.000 2.460 164 M HA -0.020 4.460 4.480 -0.000 0.000 0.263 164 M C 2.682 178.630 176.300 -0.587 0.000 1.071 164 M CA 1.752 56.802 55.300 -0.416 0.000 1.096 164 M CB -0.232 32.235 32.600 -0.221 0.000 1.408 164 M HN 0.724 nan 8.290 nan 0.000 0.463 165 S N -0.615 114.803 115.700 -0.471 0.000 2.603 165 S HA -0.053 4.417 4.470 -0.000 0.000 0.229 165 S C 1.611 176.069 174.600 -0.238 0.000 0.972 165 S CA 1.058 58.876 58.200 -0.636 0.000 0.935 165 S CB -0.900 61.915 63.200 -0.641 0.000 0.769 165 S HN 0.565 nan 8.310 nan 0.000 0.536 166 T N -0.770 113.649 114.554 -0.226 0.000 3.113 166 T HA 0.053 4.403 4.350 -0.000 0.000 0.256 166 T C 1.348 175.887 174.700 -0.268 0.000 1.131 166 T CA 0.817 62.815 62.100 -0.169 0.000 1.074 166 T CB -0.679 68.183 68.868 -0.009 0.000 0.944 166 T HN 0.912 nan 8.240 nan 0.000 0.516 167 H N -1.957 117.042 119.070 -0.118 0.000 3.680 167 H HA 0.208 4.764 4.556 -0.000 0.000 0.260 167 H C 0.576 176.131 175.328 0.379 0.000 1.183 167 H CA -1.049 55.098 56.048 0.164 0.000 1.159 167 H CB -0.379 29.470 29.762 0.144 0.000 1.567 167 H HN 0.465 nan 8.280 nan 0.000 0.648 168 W N 2.814 124.116 121.300 0.003 0.000 2.034 168 W HA 0.269 4.929 4.660 -0.000 0.000 0.357 168 W C 0.035 176.683 176.519 0.215 0.000 1.326 168 W CA -0.038 57.404 57.345 0.161 0.000 1.318 168 W CB -0.139 29.333 29.460 0.019 0.000 1.193 168 W HN -0.180 nan 8.180 nan 0.000 0.620 169 T N 0.932 115.487 114.554 0.002 0.000 3.067 169 T HA -0.020 4.330 4.350 -0.000 0.000 0.261 169 T C 1.034 175.340 174.700 -0.656 0.000 1.110 169 T CA 1.300 63.227 62.100 -0.289 0.000 1.113 169 T CB -0.482 68.372 68.868 -0.022 0.000 0.917 169 T HN 0.670 nan 8.240 nan 0.000 0.499 170 C N 0.929 119.463 119.300 -1.277 0.000 4.552 170 C HA -0.091 4.369 4.460 -0.000 0.000 0.268 170 C C 1.035 175.539 174.990 -0.810 0.000 1.288 170 C CA -0.747 57.230 59.018 -1.736 0.000 1.776 170 C CB -2.619 24.627 27.740 -0.822 0.000 1.415 170 C HN 0.760 nan 8.230 nan 0.000 0.729 171 A N 1.007 123.558 122.820 -0.448 0.000 2.362 171 A HA 0.605 4.925 4.320 -0.000 0.000 0.276 171 A C 0.728 178.229 177.584 -0.138 0.000 1.153 171 A CA 1.027 52.950 52.037 -0.189 0.000 0.813 171 A CB 0.233 19.190 19.000 -0.071 0.000 1.081 171 A HN 1.378 nan 8.150 nan 0.000 0.507 172 T N 1.368 115.856 114.554 -0.109 0.000 3.542 172 T HA 0.511 4.861 4.350 -0.000 0.000 0.276 172 T C -2.800 171.849 174.700 -0.085 0.000 1.412 172 T CA -1.437 60.631 62.100 -0.054 0.000 1.664 172 T CB 0.563 69.434 68.868 0.004 0.000 0.863 172 T HN 0.436 nan 8.240 nan 0.000 0.661 173 P HA 0.395 nan 4.420 nan 0.000 0.276 173 P C -0.141 177.005 177.300 -0.258 0.000 1.244 173 P CA -0.618 62.381 63.100 -0.169 0.000 0.801 173 P CB 1.109 32.689 31.700 -0.201 0.000 1.006 174 R N 0.730 120.993 120.500 -0.394 0.000 2.560 174 R HA 0.414 4.754 4.340 -0.000 0.000 0.270 174 R C 0.060 176.218 176.300 -0.237 0.000 1.074 174 R CA -0.448 55.204 56.100 -0.747 0.000 1.140 174 R CB 0.185 29.883 30.300 -1.003 0.000 1.073 174 R HN 0.369 nan 8.270 nan 0.000 0.527 175 F N 1.734 121.437 119.950 -0.412 0.000 2.396 175 F HA 0.068 4.595 4.527 -0.000 0.000 0.343 175 F C 0.924 176.536 175.800 -0.313 0.000 1.104 175 F CA -1.612 56.184 58.000 -0.340 0.000 1.161 175 F CB 0.387 39.180 39.000 -0.346 0.000 1.146 175 F HN 0.539 nan 8.300 nan 0.000 0.522 176 D N 2.467 122.801 120.400 -0.110 0.000 2.377 176 D HA 0.125 4.765 4.640 -0.000 0.000 0.245 176 D C 1.060 177.279 176.300 -0.135 0.000 1.196 176 D CA -0.436 53.497 54.000 -0.112 0.000 0.962 176 D CB 0.630 41.377 40.800 -0.088 0.000 1.127 176 D HN 0.468 nan 8.370 nan 0.000 0.471 177 R N 0.045 120.491 120.500 -0.090 0.000 2.140 177 R HA -0.223 4.117 4.340 -0.000 0.000 0.250 177 R C 1.985 178.232 176.300 -0.087 0.000 1.150 177 R CA 2.181 58.236 56.100 -0.076 0.000 0.966 177 R CB -0.492 29.796 30.300 -0.019 0.000 0.869 177 R HN 0.761 nan 8.270 nan 0.000 0.445 178 E N 0.682 120.826 120.200 -0.094 0.000 2.338 178 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 178 E C 1.313 177.803 176.600 -0.184 0.000 1.007 178 E CA 1.056 57.406 56.400 -0.083 0.000 0.849 178 E CB -0.054 29.646 29.700 -0.001 0.000 0.774 178 E HN 0.492 nan 8.360 nan 0.000 0.506 179 Q N 0.137 119.734 119.800 -0.338 0.000 2.356 179 Q HA 0.176 4.516 4.340 -0.000 0.000 0.205 179 Q C 0.352 176.237 176.000 -0.191 0.000 0.901 179 Q CA -0.165 55.363 55.803 -0.457 0.000 0.938 179 Q CB 0.657 28.811 28.738 -0.975 0.000 1.081 179 Q HN 0.036 nan 8.270 nan 0.000 0.517 180 R N 1.986 122.430 120.500 -0.093 0.000 2.514 180 R HA 0.313 4.653 4.340 -0.000 0.000 0.301 180 R C -2.550 173.750 176.300 -0.001 0.000 0.962 180 R CA -2.133 53.928 56.100 -0.063 0.000 0.882 180 R CB 1.105 31.196 30.300 -0.349 0.000 1.143 180 R HN -0.115 nan 8.270 nan 0.000 0.452 181 P HA 0.043 nan 4.420 nan 0.000 0.271 181 P C -0.609 176.873 177.300 0.303 0.000 1.218 181 P CA -0.112 63.086 63.100 0.164 0.000 0.780 181 P CB 0.744 32.539 31.700 0.159 0.000 0.901 182 L N 2.905 124.258 121.223 0.216 0.000 2.367 182 L HA 0.134 4.474 4.340 -0.000 0.000 0.275 182 L C 1.738 178.743 176.870 0.225 0.000 1.129 182 L CA -0.178 54.846 54.840 0.307 0.000 0.839 182 L CB 0.264 42.533 42.059 0.350 0.000 1.133 182 L HN 0.366 nan 8.230 nan 0.000 0.453 183 L N 3.836 125.217 121.223 0.264 0.000 2.515 183 L HA 0.190 4.530 4.340 -0.000 0.000 0.223 183 L C -0.222 176.801 176.870 0.256 0.000 1.079 183 L CA 0.214 55.099 54.840 0.075 0.000 0.857 183 L CB 0.620 42.507 42.059 -0.286 0.000 1.050 183 L HN 0.332 nan 8.230 nan 0.000 0.476 184 V N 0.942 121.023 119.914 0.278 0.000 2.525 184 V HA 0.232 4.352 4.120 -0.000 0.000 0.299 184 V C -0.378 175.821 176.094 0.174 0.000 1.034 184 V CA -1.058 61.357 62.300 0.193 0.000 0.863 184 V CB 1.664 33.542 31.823 0.091 0.000 0.999 184 V HN 0.180 nan 8.190 nan 0.000 0.423 185 K N 2.193 122.588 120.400 -0.009 0.000 2.118 185 K HA 0.467 4.787 4.320 -0.000 0.000 0.264 185 K C -0.377 176.202 176.600 -0.036 0.000 1.000 185 K CA -0.566 55.684 56.287 -0.063 0.000 0.929 185 K CB 0.616 32.931 32.500 -0.308 0.000 1.021 185 K HN 0.609 nan 8.250 nan 0.000 0.463 186 D N 0.964 121.364 120.400 -0.001 0.000 2.708 186 D HA -0.171 4.469 4.640 -0.000 0.000 0.236 186 D C -0.833 175.475 176.300 0.013 0.000 1.146 186 D CA 1.422 55.423 54.000 0.003 0.000 0.662 186 D CB -0.829 39.958 40.800 -0.021 0.000 1.059 186 D HN 0.783 nan 8.370 nan 0.000 0.428 187 D N -1.616 118.805 120.400 0.035 0.000 2.684 187 D HA 0.317 4.957 4.640 -0.000 0.000 0.233 187 D C 0.828 177.165 176.300 0.061 0.000 1.374 187 D CA 0.206 54.229 54.000 0.039 0.000 0.906 187 D CB 0.155 40.971 40.800 0.027 0.000 1.526 187 D HN 0.018 nan 8.370 nan 0.000 0.518 188 A N 1.888 124.746 122.820 0.063 0.000 1.933 188 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 188 A C 1.652 179.286 177.584 0.082 0.000 1.175 188 A CA 1.469 53.554 52.037 0.080 0.000 0.628 188 A CB -0.025 19.015 19.000 0.066 0.000 0.814 188 A HN 0.417 nan 8.150 nan 0.000 0.444 189 D N 0.038 120.476 120.400 0.063 0.000 2.144 189 D HA -0.014 4.626 4.640 -0.000 0.000 0.200 189 D C 2.157 178.496 176.300 0.064 0.000 0.978 189 D CA 1.515 55.551 54.000 0.059 0.000 0.833 189 D CB -0.347 40.478 40.800 0.043 0.000 0.961 189 D HN 0.432 nan 8.370 nan 0.000 0.470 190 A N 0.429 123.285 122.820 0.058 0.000 1.970 190 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 190 A C 1.894 179.520 177.584 0.069 0.000 1.170 190 A CA 1.636 53.704 52.037 0.051 0.000 0.645 190 A CB -0.431 18.590 19.000 0.035 0.000 0.816 190 A HN 0.175 nan 8.150 nan 0.000 0.447 191 D N -0.089 120.377 120.400 0.109 0.000 2.097 191 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 191 D C 1.259 177.717 176.300 0.264 0.000 0.984 191 D CA 1.528 55.636 54.000 0.180 0.000 0.826 191 D CB -0.100 40.836 40.800 0.226 0.000 0.973 191 D HN 0.304 nan 8.370 nan 0.000 0.460 192 D N -0.148 120.379 120.400 0.213 0.000 2.104 192 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 192 D C 2.001 178.413 176.300 0.188 0.000 0.994 192 D CA 1.614 55.741 54.000 0.212 0.000 0.830 192 D CB -0.620 40.260 40.800 0.133 0.000 0.959 192 D HN 0.334 nan 8.370 nan 0.000 0.452 193 A N 0.462 123.351 122.820 0.115 0.000 1.933 193 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 193 A C 2.127 179.740 177.584 0.048 0.000 1.175 193 A CA 1.916 53.998 52.037 0.076 0.000 0.628 193 A CB -0.499 18.527 19.000 0.045 0.000 0.814 193 A HN 0.192 nan 8.150 nan 0.000 0.444 194 E N -0.836 119.371 120.200 0.011 0.000 2.047 194 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 194 E C 1.691 178.195 176.600 -0.159 0.000 0.987 194 E CA 1.498 57.834 56.400 -0.107 0.000 0.799 194 E CB -0.491 29.097 29.700 -0.188 0.000 0.752 194 E HN 0.708 nan 8.360 nan 0.000 0.449 195 W N 0.866 122.125 121.300 -0.068 0.000 2.338 195 W HA -0.177 4.483 4.660 -0.000 0.000 0.304 195 W C 2.207 178.718 176.519 -0.013 0.000 1.212 195 W CA 1.342 58.609 57.345 -0.130 0.000 1.264 195 W CB -0.450 28.983 29.460 -0.044 0.000 1.142 195 W HN 0.265 nan 8.180 nan 0.000 0.512 196 D N -0.108 120.468 120.400 0.294 0.000 2.144 196 D HA -0.220 4.420 4.640 -0.000 0.000 0.199 196 D C 2.148 178.526 176.300 0.130 0.000 0.984 196 D CA 1.525 55.662 54.000 0.229 0.000 0.834 196 D CB -0.223 40.667 40.800 0.150 0.000 0.955 196 D HN -0.009 nan 8.370 nan 0.000 0.465 197 R N -0.298 120.228 120.500 0.044 0.000 2.066 197 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 197 R C 2.433 178.693 176.300 -0.067 0.000 1.131 197 R CA 1.031 57.119 56.100 -0.021 0.000 0.955 197 R CB -0.294 29.973 30.300 -0.056 0.000 0.851 197 R HN 0.260 nan 8.270 nan 0.000 0.432 198 L N -0.427 120.720 121.223 -0.126 0.000 2.056 198 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 198 L C 2.311 179.116 176.870 -0.109 0.000 1.078 198 L CA 1.134 55.848 54.840 -0.210 0.000 0.749 198 L CB -0.547 41.282 42.059 -0.384 0.000 0.901 198 L HN 0.210 nan 8.230 nan 0.000 0.433 199 Y N 0.245 120.552 120.300 0.010 0.000 2.242 199 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 199 Y C 2.864 178.745 175.900 -0.032 0.000 1.137 199 Y CA 1.384 59.494 58.100 0.017 0.000 1.181 199 Y CB -1.026 37.472 38.460 0.064 0.000 0.989 199 Y HN 0.118 nan 8.280 nan 0.000 0.527 200 T N -0.352 114.276 114.554 0.124 0.000 2.746 200 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 200 T C 1.990 176.665 174.700 -0.043 0.000 1.039 200 T CA 1.675 63.800 62.100 0.041 0.000 1.142 200 T CB -0.137 68.746 68.868 0.025 0.000 0.866 200 T HN 0.218 nan 8.240 nan 0.000 0.444 201 K N 0.766 121.083 120.400 -0.138 0.000 2.057 201 K HA 0.053 4.373 4.320 -0.000 0.000 0.206 201 K C 2.536 178.830 176.600 -0.511 0.000 1.050 201 K CA 0.997 57.080 56.287 -0.340 0.000 0.935 201 K CB -0.275 31.967 32.500 -0.430 0.000 0.715 201 K HN 0.254 nan 8.250 nan 0.000 0.439 202 A N 1.503 124.127 122.820 -0.327 0.000 1.883 202 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 202 A C 1.816 179.425 177.584 0.041 0.000 1.186 202 A CA 1.889 53.815 52.037 -0.187 0.000 0.624 202 A CB -0.562 18.433 19.000 -0.008 0.000 0.822 202 A HN 0.474 nan 8.150 nan 0.000 0.444 203 E N -0.530 119.729 120.200 0.097 0.000 2.118 203 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 203 E C 2.248 178.940 176.600 0.154 0.000 0.992 203 E CA 1.255 57.752 56.400 0.161 0.000 0.804 203 E CB -0.190 29.573 29.700 0.105 0.000 0.741 203 E HN 0.624 nan 8.360 nan 0.000 0.458 204 S N -0.395 115.349 115.700 0.074 0.000 2.368 204 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 204 S C 1.827 176.577 174.600 0.250 0.000 1.029 204 S CA 0.776 59.047 58.200 0.117 0.000 0.988 204 S CB -0.194 63.042 63.200 0.059 0.000 0.838 204 S HN 0.252 nan 8.310 nan 0.000 0.462 205 Y N 0.390 120.707 120.300 0.028 0.000 2.145 205 Y HA 0.029 4.579 4.550 -0.000 0.000 0.286 205 Y C 2.071 178.007 175.900 0.059 0.000 1.145 205 Y CA 0.442 58.527 58.100 -0.025 0.000 1.148 205 Y CB -1.089 37.273 38.460 -0.163 0.000 0.981 205 Y HN 0.336 nan 8.280 nan 0.000 0.507 206 F N 0.283 120.393 119.950 0.266 0.000 2.710 206 F HA 0.011 4.538 4.527 -0.000 0.000 0.298 206 F C 0.853 176.767 175.800 0.189 0.000 1.137 206 F CA 0.305 58.448 58.000 0.238 0.000 1.444 206 F CB -0.364 38.795 39.000 0.265 0.000 1.111 206 F HN 0.023 nan 8.300 nan 0.000 0.580 207 Q N 0.466 120.463 119.800 0.328 0.000 2.463 207 Q HA -0.192 4.148 4.340 -0.000 0.000 0.299 207 Q C 0.082 176.168 176.000 0.144 0.000 1.353 207 Q CA 0.732 56.648 55.803 0.190 0.000 0.828 207 Q CB -2.646 26.179 28.738 0.145 0.000 1.157 207 Q HN 0.210 nan 8.270 nan 0.000 0.436 208 T N -0.074 114.579 114.554 0.165 0.000 2.916 208 T HA 0.461 4.811 4.350 -0.000 0.000 0.303 208 T C 0.793 175.522 174.700 0.049 0.000 1.025 208 T CA 0.584 62.743 62.100 0.098 0.000 1.142 208 T CB 1.289 70.226 68.868 0.115 0.000 0.947 208 T HN 0.495 nan 8.240 nan 0.000 0.544 209 G N 0.687 109.498 108.800 0.018 0.000 2.727 209 G HA2 0.568 4.528 3.960 -0.000 0.000 0.289 209 G HA3 0.568 4.528 3.960 -0.000 0.000 0.289 209 G C -0.023 174.882 174.900 0.007 0.000 1.418 209 G CA -0.519 44.584 45.100 0.005 0.000 0.818 209 G HN 0.622 nan 8.290 nan 0.000 0.486 210 T N -2.462 112.096 114.554 0.007 0.000 3.393 210 T HA 0.271 4.621 4.350 -0.000 0.000 0.298 210 T C 0.026 174.736 174.700 0.017 0.000 1.004 210 T CA 0.485 62.599 62.100 0.023 0.000 0.956 210 T CB 0.404 69.291 68.868 0.032 0.000 1.182 210 T HN 0.491 nan 8.240 nan 0.000 0.497 211 D N 0.329 120.720 120.400 -0.016 0.000 2.500 211 D HA 0.061 4.701 4.640 -0.000 0.000 0.217 211 D C 1.361 177.591 176.300 -0.116 0.000 1.159 211 D CA -0.034 53.936 54.000 -0.050 0.000 0.828 211 D CB -0.055 40.711 40.800 -0.057 0.000 1.039 211 D HN 0.271 nan 8.370 nan 0.000 0.512 212 Q N -0.448 119.278 119.800 -0.123 0.000 2.436 212 Q HA 0.169 4.509 4.340 -0.000 0.000 0.209 212 Q C 0.225 175.843 176.000 -0.636 0.000 0.965 212 Q CA 0.840 56.438 55.803 -0.342 0.000 0.910 212 Q CB -0.203 28.305 28.738 -0.383 0.000 0.980 212 Q HN 0.286 nan 8.270 nan 0.000 0.491 213 F N -0.375 119.410 119.950 -0.274 0.000 2.735 213 F HA 0.232 4.759 4.527 -0.000 0.000 0.308 213 F C 1.135 176.729 175.800 -0.342 0.000 1.112 213 F CA -0.569 57.229 58.000 -0.336 0.000 1.235 213 F CB 0.433 39.156 39.000 -0.461 0.000 1.027 213 F HN -0.015 nan 8.300 nan 0.000 0.528 214 K N 0.251 120.559 120.400 -0.153 0.000 2.283 214 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 214 K C 0.800 177.298 176.600 -0.170 0.000 1.048 214 K CA 1.613 57.855 56.287 -0.077 0.000 0.948 214 K CB -0.127 32.319 32.500 -0.090 0.000 0.742 214 K HN 0.311 nan 8.250 nan 0.000 0.458 215 E N 1.567 121.556 120.200 -0.352 0.000 2.499 215 E HA 0.058 4.408 4.350 -0.000 0.000 0.199 215 E C -0.750 175.662 176.600 -0.314 0.000 1.016 215 E CA -0.355 55.608 56.400 -0.729 0.000 0.933 215 E CB 0.950 30.114 29.700 -0.895 0.000 1.050 215 E HN 0.233 nan 8.360 nan 0.000 0.462 216 S N 0.454 116.136 115.700 -0.030 0.000 2.528 216 S HA 0.175 4.645 4.470 -0.000 0.000 0.277 216 S C 1.205 175.871 174.600 0.110 0.000 1.297 216 S CA -0.454 57.790 58.200 0.073 0.000 1.052 216 S CB 0.558 63.871 63.200 0.188 0.000 0.917 216 S HN 0.212 nan 8.310 nan 0.000 0.492 217 I N 4.703 125.224 120.570 -0.081 0.000 2.202 217 I HA -0.151 4.019 4.170 -0.000 0.000 0.242 217 I C 2.727 178.651 176.117 -0.323 0.000 1.091 217 I CA 1.129 62.134 61.300 -0.492 0.000 1.368 217 I CB -0.234 37.258 38.000 -0.848 0.000 1.058 217 I HN 0.705 nan 8.210 nan 0.000 0.410 218 R N -0.461 119.944 120.500 -0.159 0.000 2.081 218 R HA -0.239 4.100 4.340 -0.000 0.000 0.235 218 R C 2.368 178.678 176.300 0.016 0.000 1.131 218 R CA 1.777 57.836 56.100 -0.068 0.000 0.960 218 R CB -0.728 29.551 30.300 -0.035 0.000 0.856 218 R HN 0.418 nan 8.270 nan 0.000 0.436 219 H N 1.272 120.344 119.070 0.003 0.000 2.289 219 H HA -0.090 4.466 4.556 -0.000 0.000 0.296 219 H C 1.774 177.158 175.328 0.092 0.000 1.091 219 H CA 2.023 58.097 56.048 0.043 0.000 1.274 219 H CB -0.180 29.640 29.762 0.097 0.000 1.364 219 H HN 0.134 nan 8.280 nan 0.000 0.490 220 N N -0.025 118.736 118.700 0.102 0.000 2.244 220 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 220 N C 2.052 177.679 175.510 0.195 0.000 1.016 220 N CA 0.994 54.145 53.050 0.170 0.000 0.866 220 N CB -0.214 38.593 38.487 0.533 0.000 0.980 220 N HN 0.307 nan 8.380 nan 0.000 0.430 221 L N 1.307 122.646 121.223 0.194 0.000 2.012 221 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 221 L C 2.105 179.024 176.870 0.082 0.000 1.073 221 L CA 1.415 56.389 54.840 0.224 0.000 0.748 221 L CB -0.544 41.588 42.059 0.122 0.000 0.891 221 L HN -0.122 nan 8.230 nan 0.000 0.431 222 V N -0.856 119.054 119.914 -0.007 0.000 2.323 222 V HA -0.217 3.903 4.120 -0.000 0.000 0.244 222 V C 2.418 178.432 176.094 -0.132 0.000 1.041 222 V CA 1.477 63.742 62.300 -0.058 0.000 1.025 222 V CB -0.571 31.196 31.823 -0.093 0.000 0.656 222 V HN 0.514 nan 8.190 nan 0.000 0.451 223 L N 1.094 122.201 121.223 -0.195 0.000 1.990 223 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 223 L C 2.203 179.003 176.870 -0.118 0.000 1.072 223 L CA 2.191 56.911 54.840 -0.200 0.000 0.755 223 L CB -0.956 40.938 42.059 -0.275 0.000 0.889 223 L HN 0.314 nan 8.230 nan 0.000 0.432 224 N N -0.191 118.490 118.700 -0.032 0.000 2.188 224 N HA -0.199 4.541 4.740 -0.000 0.000 0.184 224 N C 1.839 177.334 175.510 -0.024 0.000 1.018 224 N CA 1.361 54.415 53.050 0.007 0.000 0.858 224 N CB -0.318 38.206 38.487 0.062 0.000 0.989 224 N HN 0.321 nan 8.380 nan 0.000 0.426 225 K N 1.365 121.747 120.400 -0.029 0.000 2.025 225 K HA 0.072 4.392 4.320 -0.000 0.000 0.207 225 K C 1.929 178.482 176.600 -0.079 0.000 1.049 225 K CA 0.882 57.150 56.287 -0.031 0.000 0.933 225 K CB -0.411 32.089 32.500 0.000 0.000 0.714 225 K HN 0.111 nan 8.250 nan 0.000 0.438 226 L N 0.097 121.198 121.223 -0.203 0.000 2.093 226 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 226 L C 2.218 178.899 176.870 -0.316 0.000 1.085 226 L CA 1.491 56.095 54.840 -0.393 0.000 0.755 226 L CB -0.720 40.680 42.059 -1.099 0.000 0.904 226 L HN 0.245 nan 8.230 nan 0.000 0.435 227 T N -0.682 113.737 114.554 -0.226 0.000 2.684 227 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 227 T C 1.786 176.543 174.700 0.096 0.000 1.036 227 T CA 1.813 63.953 62.100 0.066 0.000 1.148 227 T CB -0.129 68.787 68.868 0.079 0.000 0.863 227 T HN 0.412 nan 8.240 nan 0.000 0.436 228 E N 0.680 120.897 120.200 0.027 0.000 2.031 228 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 228 E C 2.155 178.754 176.600 -0.001 0.000 0.994 228 E CA 1.031 57.440 56.400 0.015 0.000 0.800 228 E CB -0.009 29.685 29.700 -0.011 0.000 0.752 228 E HN 0.397 nan 8.360 nan 0.000 0.447 229 E N -0.322 119.857 120.200 -0.035 0.000 2.160 229 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 229 E C 1.040 177.482 176.600 -0.264 0.000 0.991 229 E CA 1.089 57.394 56.400 -0.159 0.000 0.810 229 E CB -0.151 29.422 29.700 -0.212 0.000 0.742 229 E HN 0.500 nan 8.360 nan 0.000 0.466 230 Y N 0.313 120.655 120.300 0.070 0.000 2.658 230 Y HA 0.167 4.717 4.550 -0.000 0.000 0.276 230 Y C 0.640 176.607 175.900 0.112 0.000 1.167 230 Y CA -0.393 57.785 58.100 0.130 0.000 1.230 230 Y CB 0.426 39.063 38.460 0.294 0.000 1.144 230 Y HN -0.307 nan 8.280 nan 0.000 0.529 231 K N 0.854 121.343 120.400 0.149 0.000 2.472 231 K HA 0.047 4.367 4.320 -0.000 0.000 0.280 231 K C 1.087 177.748 176.600 0.102 0.000 1.028 231 K CA 1.200 57.557 56.287 0.117 0.000 1.045 231 K CB 0.191 32.728 32.500 0.063 0.000 0.902 231 K HN 0.697 nan 8.250 nan 0.000 0.478 232 G N 3.441 112.304 108.800 0.104 0.000 2.179 232 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 232 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 232 G C 0.557 175.513 174.900 0.094 0.000 1.010 232 G CA 0.929 46.078 45.100 0.083 0.000 0.736 232 G HN 0.762 nan 8.290 nan 0.000 0.513 233 Q N -1.746 118.137 119.800 0.138 0.000 2.527 233 Q HA 0.234 4.574 4.340 -0.000 0.000 0.252 233 Q C 1.161 177.244 176.000 0.138 0.000 0.827 233 Q CA 0.135 56.029 55.803 0.151 0.000 0.979 233 Q CB 0.982 29.845 28.738 0.210 0.000 1.248 233 Q HN 0.510 nan 8.270 nan 0.000 0.578 234 R N 0.511 121.100 120.500 0.149 0.000 2.740 234 R HA 0.392 4.732 4.340 -0.000 0.000 0.273 234 R C -1.644 174.657 176.300 0.001 0.000 0.998 234 R CA -0.738 55.352 56.100 -0.017 0.000 0.900 234 R CB 1.698 31.780 30.300 -0.362 0.000 1.223 234 R HN -0.042 nan 8.270 nan 0.000 0.466 235 D N 1.443 121.770 120.400 -0.123 0.000 2.163 235 D HA 0.386 5.026 4.640 -0.000 0.000 0.248 235 D C -0.764 175.355 176.300 -0.302 0.000 1.035 235 D CA 0.069 54.033 54.000 -0.059 0.000 0.872 235 D CB 1.213 42.000 40.800 -0.021 0.000 1.183 235 D HN 0.146 nan 8.370 nan 0.000 0.445 236 F N 0.867 120.822 119.950 0.009 0.000 2.522 236 F HA 0.380 4.907 4.527 -0.000 0.000 0.324 236 F C 0.692 176.506 175.800 0.025 0.000 1.077 236 F CA -0.616 57.384 58.000 -0.001 0.000 0.944 236 F CB 1.773 40.768 39.000 -0.008 0.000 1.175 236 F HN 0.211 nan 8.300 nan 0.000 0.468 237 Q N 0.130 120.044 119.800 0.189 0.000 2.707 237 Q HA 0.343 4.683 4.340 -0.000 0.000 0.307 237 Q C -1.542 174.571 176.000 0.188 0.000 0.934 237 Q CA -1.312 54.589 55.803 0.162 0.000 0.753 237 Q CB 1.711 30.506 28.738 0.096 0.000 1.478 237 Q HN 0.612 nan 8.270 nan 0.000 0.458 238 Q N 0.998 120.923 119.800 0.209 0.000 2.332 238 Q HA 0.241 4.581 4.340 -0.000 0.000 0.263 238 Q C -0.555 175.501 176.000 0.094 0.000 0.979 238 Q CA -0.271 55.653 55.803 0.202 0.000 0.885 238 Q CB 0.501 29.315 28.738 0.127 0.000 1.218 238 Q HN 0.579 nan 8.270 nan 0.000 0.405 239 I N 6.901 127.505 120.570 0.056 0.000 2.906 239 I HA -0.094 4.076 4.170 -0.000 0.000 0.301 239 I C -1.964 174.162 176.117 0.015 0.000 1.221 239 I CA -1.139 60.172 61.300 0.019 0.000 1.435 239 I CB 0.012 37.991 38.000 -0.036 0.000 1.345 239 I HN 0.469 nan 8.210 nan 0.000 0.558 240 P HA 0.223 nan 4.420 nan 0.000 0.267 240 P C -0.903 176.385 177.300 -0.020 0.000 1.209 240 P CA 0.174 63.271 63.100 -0.005 0.000 0.763 240 P CB 0.476 32.160 31.700 -0.025 0.000 0.816 241 L N 2.219 123.439 121.223 -0.005 0.000 2.386 241 L HA 0.617 4.957 4.340 -0.000 0.000 0.271 241 L C 0.270 177.120 176.870 -0.033 0.000 0.993 241 L CA -1.228 53.602 54.840 -0.017 0.000 0.819 241 L CB 2.153 44.268 42.059 0.093 0.000 1.294 241 L HN 0.238 nan 8.230 nan 0.000 0.414 242 A N 3.026 125.782 122.820 -0.107 0.000 2.666 242 A HA 0.729 5.049 4.320 -0.000 0.000 0.301 242 A C 0.119 177.708 177.584 0.008 0.000 1.470 242 A CA 0.235 52.252 52.037 -0.033 0.000 1.159 242 A CB -0.469 18.450 19.000 -0.135 0.000 1.116 242 A HN 0.819 nan 8.150 nan 0.000 0.548 243 A N 1.886 124.680 122.820 -0.042 0.000 2.590 243 A HA 0.727 5.047 4.320 -0.000 0.000 0.294 243 A C -0.488 176.974 177.584 -0.204 0.000 1.046 243 A CA -0.484 51.431 52.037 -0.204 0.000 0.684 243 A CB 0.698 19.365 19.000 -0.554 0.000 1.279 243 A HN 0.641 nan 8.150 nan 0.000 0.415 244 T N 1.404 115.814 114.554 -0.241 0.000 2.840 244 T HA 0.475 4.825 4.350 -0.000 0.000 0.287 244 T C -0.016 174.528 174.700 -0.259 0.000 0.991 244 T CA -0.421 61.563 62.100 -0.194 0.000 0.964 244 T CB 1.154 69.967 68.868 -0.092 0.000 0.954 244 T HN 0.709 nan 8.240 nan 0.000 0.438 245 R N 2.491 122.821 120.500 -0.283 0.000 2.449 245 R HA 0.190 4.530 4.340 -0.000 0.000 0.296 245 R C 0.854 177.069 176.300 -0.142 0.000 1.047 245 R CA -0.253 55.680 56.100 -0.278 0.000 1.018 245 R CB 0.352 30.451 30.300 -0.334 0.000 0.962 245 R HN 0.440 nan 8.270 nan 0.000 0.428 246 R N 1.182 121.650 120.500 -0.053 0.000 2.195 246 R HA 0.113 4.453 4.340 -0.000 0.000 0.197 246 R C 0.365 176.643 176.300 -0.035 0.000 0.990 246 R CA 0.737 56.826 56.100 -0.018 0.000 1.048 246 R CB 0.307 30.629 30.300 0.038 0.000 0.997 246 R HN 0.747 nan 8.270 nan 0.000 0.502 247 S N -1.170 114.524 115.700 -0.010 0.000 2.656 247 S HA 0.407 4.877 4.470 -0.000 0.000 0.273 247 S C -2.561 172.009 174.600 -0.049 0.000 1.168 247 S CA -1.137 57.049 58.200 -0.023 0.000 0.817 247 S CB 2.294 65.500 63.200 0.009 0.000 1.146 247 S HN -0.267 nan 8.310 nan 0.000 0.475 248 P HA 0.016 nan 4.420 nan 0.000 0.223 248 P C 0.994 178.272 177.300 -0.038 0.000 1.144 248 P CA 1.629 64.692 63.100 -0.062 0.000 0.783 248 P CB -0.187 31.495 31.700 -0.031 0.000 0.771 249 T N -6.851 107.712 114.554 0.015 0.000 3.091 249 T HA 0.285 4.635 4.350 -0.000 0.000 0.277 249 T C -0.217 174.540 174.700 0.095 0.000 0.996 249 T CA -0.334 61.795 62.100 0.049 0.000 0.897 249 T CB -0.510 68.405 68.868 0.077 0.000 1.109 249 T HN -0.128 nan 8.240 nan 0.000 0.534 250 F N 1.587 121.482 119.950 -0.092 0.000 2.585 250 F HA 0.653 5.180 4.527 -0.000 0.000 0.319 250 F C -1.528 174.148 175.800 -0.207 0.000 1.165 250 F CA -1.181 56.760 58.000 -0.099 0.000 0.949 250 F CB 1.945 40.903 39.000 -0.071 0.000 1.218 250 F HN -0.117 nan 8.300 nan 0.000 0.453 251 V N 5.333 124.917 119.914 -0.550 0.000 2.448 251 V HA 0.300 4.420 4.120 -0.000 0.000 0.295 251 V C -0.407 175.183 176.094 -0.840 0.000 1.025 251 V CA -0.808 61.079 62.300 -0.689 0.000 0.859 251 V CB 1.709 32.931 31.823 -1.001 0.000 0.988 251 V HN 0.712 nan 8.190 nan 0.000 0.431 252 E N 4.474 124.416 120.200 -0.429 0.000 2.044 252 E HA 0.189 4.539 4.350 -0.000 0.000 0.282 252 E C -1.126 175.271 176.600 -0.338 0.000 1.031 252 E CA -0.578 55.717 56.400 -0.175 0.000 0.824 252 E CB 0.514 30.285 29.700 0.119 0.000 1.076 252 E HN 0.629 nan 8.360 nan 0.000 0.395 253 W N 2.867 124.076 121.300 -0.153 0.000 2.190 253 W HA 0.125 4.785 4.660 -0.000 0.000 0.330 253 W C 0.659 177.208 176.519 0.049 0.000 1.299 253 W CA -0.466 56.763 57.345 -0.195 0.000 1.215 253 W CB 0.899 29.990 29.460 -0.615 0.000 1.147 253 W HN 0.336 nan 8.180 nan 0.000 0.563 254 S N 1.576 117.480 115.700 0.340 0.000 2.624 254 S HA 0.619 5.089 4.470 -0.000 0.000 0.263 254 S C 0.108 175.157 174.600 0.749 0.000 1.287 254 S CA -0.527 57.952 58.200 0.465 0.000 0.990 254 S CB 1.133 64.607 63.200 0.457 0.000 0.950 254 S HN 0.514 nan 8.310 nan 0.000 0.561 255 S N -0.564 115.520 115.700 0.639 0.000 2.683 255 S HA 0.662 5.132 4.470 -0.000 0.000 0.269 255 S C 0.721 175.517 174.600 0.325 0.000 1.165 255 S CA -0.340 58.165 58.200 0.508 0.000 0.840 255 S CB 0.485 63.905 63.200 0.367 0.000 1.169 255 S HN 0.746 nan 8.310 nan 0.000 0.490 256 A N 1.745 124.649 122.820 0.140 0.000 1.903 256 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 256 A C 2.023 179.651 177.584 0.073 0.000 1.191 256 A CA 2.300 54.375 52.037 0.063 0.000 0.638 256 A CB -1.622 17.386 19.000 0.013 0.000 0.823 256 A HN 0.892 nan 8.150 nan 0.000 0.451 257 N N -0.652 118.100 118.700 0.087 0.000 2.192 257 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 257 N C 1.510 177.042 175.510 0.037 0.000 1.013 257 N CA 2.060 55.136 53.050 0.043 0.000 0.863 257 N CB -0.247 38.279 38.487 0.066 0.000 0.990 257 N HN 0.487 nan 8.380 nan 0.000 0.430 258 T N 0.255 114.881 114.554 0.119 0.000 2.821 258 T HA -0.033 4.317 4.350 -0.000 0.000 0.267 258 T C 2.040 176.773 174.700 0.055 0.000 1.046 258 T CA 0.942 63.117 62.100 0.125 0.000 1.139 258 T CB -0.070 68.952 68.868 0.257 0.000 0.871 258 T HN 0.059 nan 8.240 nan 0.000 0.454 259 V N -0.490 119.438 119.914 0.024 0.000 2.407 259 V HA 0.203 4.323 4.120 -0.000 0.000 0.245 259 V C 0.431 176.481 176.094 -0.073 0.000 1.041 259 V CA 0.896 63.130 62.300 -0.111 0.000 1.040 259 V CB -0.295 31.407 31.823 -0.202 0.000 0.671 259 V HN 0.479 nan 8.190 nan 0.000 0.455 260 F N 0.933 120.752 119.950 -0.218 0.000 2.623 260 F HA 0.379 4.906 4.527 -0.000 0.000 0.323 260 F C 0.148 175.823 175.800 -0.209 0.000 1.158 260 F CA -1.511 56.330 58.000 -0.265 0.000 1.030 260 F CB 1.436 40.225 39.000 -0.351 0.000 1.280 260 F HN 0.146 nan 8.300 nan 0.000 0.474 261 D N 4.881 124.796 120.400 -0.807 0.000 2.363 261 D HA -0.034 4.606 4.640 -0.000 0.000 0.220 261 D C 1.177 177.191 176.300 -0.477 0.000 0.994 261 D CA 1.003 54.702 54.000 -0.503 0.000 0.890 261 D CB -0.064 40.499 40.800 -0.394 0.000 0.906 261 D HN 0.693 nan 8.370 nan 0.000 0.530 262 L N -1.857 118.915 121.223 -0.752 0.000 4.625 262 L HA -0.241 4.099 4.340 -0.000 0.000 0.428 262 L C -0.204 176.627 176.870 -0.065 0.000 1.129 262 L CA 0.512 55.199 54.840 -0.255 0.000 0.978 262 L CB -1.399 40.673 42.059 0.022 0.000 2.043 262 L HN 0.220 nan 8.230 nan 0.000 0.847 263 Q N 0.986 120.645 119.800 -0.236 0.000 2.314 263 Q HA 0.231 4.571 4.340 -0.000 0.000 0.258 263 Q C 0.388 176.450 176.000 0.104 0.000 0.954 263 Q CA -0.138 55.623 55.803 -0.069 0.000 0.890 263 Q CB 0.713 29.374 28.738 -0.128 0.000 1.210 263 Q HN 0.132 nan 8.270 nan 0.000 0.410 264 N N 2.145 120.914 118.700 0.115 0.000 2.353 264 N HA 0.006 4.746 4.740 -0.000 0.000 0.248 264 N C -0.250 175.325 175.510 0.109 0.000 1.240 264 N CA 0.567 53.690 53.050 0.122 0.000 0.862 264 N CB 0.530 38.993 38.487 -0.040 0.000 1.086 264 N HN 0.266 nan 8.380 nan 0.000 0.453 265 R N 1.382 121.973 120.500 0.152 0.000 2.807 265 R HA 0.520 4.860 4.340 -0.000 0.000 0.276 265 R C -2.433 173.916 176.300 0.080 0.000 0.979 265 R CA -1.607 54.562 56.100 0.114 0.000 0.928 265 R CB 1.674 32.064 30.300 0.150 0.000 1.191 265 R HN 0.394 nan 8.270 nan 0.000 0.471 266 P HA 0.119 nan 4.420 nan 0.000 0.275 266 P C -1.384 175.964 177.300 0.080 0.000 1.228 266 P CA -0.315 62.858 63.100 0.121 0.000 0.786 266 P CB 0.730 32.559 31.700 0.215 0.000 0.927 267 N N -1.037 117.700 118.700 0.061 0.000 2.902 267 N HA 0.253 4.993 4.740 -0.000 0.000 0.268 267 N C 0.662 176.188 175.510 0.026 0.000 1.450 267 N CA -0.771 52.299 53.050 0.033 0.000 0.819 267 N CB -0.636 37.857 38.487 0.011 0.000 1.540 267 N HN 0.063 nan 8.380 nan 0.000 0.545 268 T N -0.752 113.809 114.554 0.011 0.000 2.737 268 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 268 T C 0.367 175.069 174.700 0.003 0.000 1.040 268 T CA 1.782 63.885 62.100 0.006 0.000 1.142 268 T CB -0.453 68.414 68.868 -0.002 0.000 0.861 268 T HN 0.538 nan 8.240 nan 0.000 0.456 269 D N 0.927 121.324 120.400 -0.005 0.000 2.323 269 D HA 0.227 4.867 4.640 -0.000 0.000 0.209 269 D C 0.813 177.112 176.300 -0.002 0.000 0.973 269 D CA 0.433 54.426 54.000 -0.012 0.000 0.874 269 D CB 0.230 41.011 40.800 -0.031 0.000 0.930 269 D HN 0.404 nan 8.370 nan 0.000 0.521 270 A N 1.516 124.344 122.820 0.014 0.000 3.266 270 A HA 0.305 4.625 4.320 -0.000 0.000 0.310 270 A C -2.034 175.593 177.584 0.073 0.000 1.066 270 A CA -0.830 51.230 52.037 0.037 0.000 0.839 270 A CB 0.981 19.999 19.000 0.031 0.000 1.192 270 A HN -0.168 nan 8.150 nan 0.000 0.496 271 P HA -0.056 nan 4.420 nan 0.000 0.229 271 P C 0.548 177.960 177.300 0.187 0.000 1.160 271 P CA 1.082 64.241 63.100 0.098 0.000 0.777 271 P CB 0.442 32.172 31.700 0.049 0.000 0.814 272 E N -0.443 119.874 120.200 0.194 0.000 2.501 272 E HA 0.117 4.467 4.350 -0.000 0.000 0.200 272 E C 0.086 176.866 176.600 0.299 0.000 1.016 272 E CA -0.079 56.520 56.400 0.331 0.000 0.921 272 E CB 0.436 30.250 29.700 0.191 0.000 1.034 272 E HN 0.430 nan 8.360 nan 0.000 0.468 273 E N 0.755 121.062 120.200 0.179 0.000 2.227 273 E HA 0.417 4.767 4.350 -0.000 0.000 0.268 273 E C -0.370 176.238 176.600 0.014 0.000 0.990 273 E CA -0.507 55.944 56.400 0.085 0.000 0.856 273 E CB 1.487 31.249 29.700 0.103 0.000 1.159 273 E HN -0.105 nan 8.360 nan 0.000 0.401 274 R N 1.892 122.378 120.500 -0.023 0.000 2.483 274 R HA 0.441 4.781 4.340 -0.000 0.000 0.303 274 R C -1.566 174.809 176.300 0.125 0.000 0.987 274 R CA -0.576 55.494 56.100 -0.050 0.000 0.881 274 R CB 1.073 31.228 30.300 -0.242 0.000 1.177 274 R HN 0.395 nan 8.270 nan 0.000 0.451 275 F N 2.286 122.220 119.950 -0.027 0.000 2.604 275 F HA 0.433 4.960 4.527 -0.000 0.000 0.316 275 F C -1.704 174.035 175.800 -0.101 0.000 1.136 275 F CA -0.692 57.289 58.000 -0.031 0.000 0.989 275 F CB 1.950 41.002 39.000 0.087 0.000 1.258 275 F HN 0.393 nan 8.300 nan 0.000 0.451 276 N N 4.750 122.812 118.700 -1.063 0.000 2.296 276 N HA 0.597 5.337 4.740 -0.000 0.000 0.294 276 N C -1.985 172.528 175.510 -1.661 0.000 1.033 276 N CA -0.632 51.732 53.050 -1.143 0.000 0.839 276 N CB 2.348 40.329 38.487 -0.843 0.000 1.395 276 N HN 0.587 nan 8.380 nan 0.000 0.479 277 L N 2.467 122.922 121.223 -1.280 0.000 2.282 277 L HA 0.629 4.969 4.340 -0.000 0.000 0.288 277 L C -1.622 174.688 176.870 -0.933 0.000 1.033 277 L CA -0.277 54.037 54.840 -0.876 0.000 0.807 277 L CB 0.163 42.069 42.059 -0.254 0.000 1.209 277 L HN 0.451 nan 8.230 nan 0.000 0.423 278 F N 6.585 126.283 119.950 -0.420 0.000 2.359 278 F HA 0.543 5.070 4.527 -0.000 0.000 0.370 278 F C -2.109 173.639 175.800 -0.087 0.000 1.077 278 F CA -2.120 55.731 58.000 -0.248 0.000 1.136 278 F CB 0.678 39.487 39.000 -0.319 0.000 1.387 278 F HN 0.424 nan 8.300 nan 0.000 0.468 279 P HA 0.315 nan 4.420 nan 0.000 0.276 279 P C -0.107 177.251 177.300 0.097 0.000 1.261 279 P CA -0.265 62.874 63.100 0.066 0.000 0.800 279 P CB 1.006 32.724 31.700 0.029 0.000 1.066 280 A N -0.924 121.936 122.820 0.068 0.000 2.745 280 A HA -0.104 4.216 4.320 -0.000 0.000 0.296 280 A C -0.058 177.563 177.584 0.062 0.000 1.500 280 A CA 0.727 52.796 52.037 0.054 0.000 0.766 280 A CB -2.402 16.630 19.000 0.052 0.000 1.030 280 A HN 0.252 nan 8.150 nan 0.000 0.489 281 V N -0.243 119.725 119.914 0.090 0.000 2.443 281 V HA 0.665 4.785 4.120 -0.000 0.000 0.293 281 V C 0.624 176.734 176.094 0.025 0.000 1.021 281 V CA -0.349 62.008 62.300 0.094 0.000 0.848 281 V CB 1.567 33.545 31.823 0.258 0.000 0.998 281 V HN 1.469 nan 8.190 nan 0.000 0.424 282 A N 4.194 126.998 122.820 -0.026 0.000 2.396 282 A HA 0.417 4.737 4.320 -0.000 0.000 0.279 282 A C 0.163 177.724 177.584 -0.038 0.000 1.165 282 A CA -0.139 51.866 52.037 -0.053 0.000 0.824 282 A CB -0.183 18.819 19.000 0.005 0.000 1.100 282 A HN 0.878 nan 8.150 nan 0.000 0.516 283 C N 3.058 122.312 119.300 -0.076 0.000 2.394 283 C HA 0.311 4.771 4.460 -0.000 0.000 0.362 283 C C 1.394 176.347 174.990 -0.061 0.000 1.268 283 C CA -0.277 58.684 59.018 -0.094 0.000 1.828 283 C CB -0.508 27.170 27.740 -0.103 0.000 2.442 283 C HN 1.007 nan 8.230 nan 0.000 0.549 284 E N 1.288 121.469 120.200 -0.032 0.000 2.244 284 E HA 0.083 4.433 4.350 -0.000 0.000 0.196 284 E C 0.374 176.949 176.600 -0.043 0.000 0.939 284 E CA 0.406 56.796 56.400 -0.018 0.000 0.884 284 E CB 0.433 30.146 29.700 0.022 0.000 0.850 284 E HN 0.778 nan 8.360 nan 0.000 0.481 285 R N -0.191 120.279 120.500 -0.049 0.000 2.687 285 R HA 0.375 4.715 4.340 -0.000 0.000 0.265 285 R C -0.965 175.254 176.300 -0.135 0.000 1.048 285 R CA -0.808 55.234 56.100 -0.097 0.000 0.884 285 R CB 0.850 31.078 30.300 -0.121 0.000 1.258 285 R HN -0.079 nan 8.270 nan 0.000 0.469 286 V N -0.564 119.257 119.914 -0.154 0.000 2.472 286 V HA 0.667 4.787 4.120 -0.000 0.000 0.290 286 V C 0.036 175.998 176.094 -0.221 0.000 1.037 286 V CA -0.877 61.295 62.300 -0.212 0.000 0.908 286 V CB 1.677 33.358 31.823 -0.237 0.000 0.985 286 V HN 0.511 nan 8.190 nan 0.000 0.454 287 V N 5.463 125.218 119.914 -0.266 0.000 2.439 287 V HA 0.496 4.616 4.120 -0.000 0.000 0.282 287 V C 0.522 176.543 176.094 -0.122 0.000 1.039 287 V CA -0.444 61.723 62.300 -0.221 0.000 0.913 287 V CB 1.248 32.931 31.823 -0.234 0.000 0.983 287 V HN 0.963 nan 8.190 nan 0.000 0.460 288 R N 3.568 124.026 120.500 -0.071 0.000 2.486 288 R HA 0.390 4.730 4.340 -0.000 0.000 0.286 288 R C 0.101 176.416 176.300 0.025 0.000 0.999 288 R CA -0.723 55.410 56.100 0.055 0.000 0.993 288 R CB 0.880 31.209 30.300 0.049 0.000 1.084 288 R HN 0.860 nan 8.270 nan 0.000 0.487 289 N N 1.249 119.980 118.700 0.050 0.000 2.317 289 N HA -0.001 4.739 4.740 -0.000 0.000 0.245 289 N C 0.533 176.028 175.510 -0.025 0.000 1.294 289 N CA 0.065 53.116 53.050 0.001 0.000 0.924 289 N CB 0.376 38.861 38.487 -0.004 0.000 1.186 289 N HN 0.585 nan 8.380 nan 0.000 0.495 290 A N -0.030 122.771 122.820 -0.032 0.000 2.015 290 A HA -0.011 4.309 4.320 -0.000 0.000 0.219 290 A C 2.154 179.704 177.584 -0.057 0.000 1.163 290 A CA 0.798 52.812 52.037 -0.039 0.000 0.646 290 A CB -0.728 18.254 19.000 -0.030 0.000 0.806 290 A HN 0.635 nan 8.150 nan 0.000 0.448 291 L N -0.810 120.368 121.223 -0.075 0.000 2.554 291 L HA 0.003 4.343 4.340 -0.000 0.000 0.226 291 L C -0.052 176.710 176.870 -0.181 0.000 1.137 291 L CA -0.100 54.677 54.840 -0.105 0.000 0.863 291 L CB -0.396 41.602 42.059 -0.101 0.000 0.985 291 L HN 0.383 nan 8.230 nan 0.000 0.451 292 N N 0.518 119.099 118.700 -0.199 0.000 2.714 292 N HA -0.181 4.559 4.740 -0.000 0.000 0.253 292 N C 0.801 175.689 175.510 -1.037 0.000 1.024 292 N CA 1.052 53.870 53.050 -0.386 0.000 0.726 292 N CB -1.062 37.347 38.487 -0.131 0.000 0.908 292 N HN 0.530 nan 8.380 nan 0.000 0.542 293 S N -2.135 113.086 115.700 -0.797 0.000 2.787 293 S HA 0.267 4.737 4.470 -0.000 0.000 0.255 293 S C 0.187 174.542 174.600 -0.408 0.000 1.051 293 S CA -0.278 57.517 58.200 -0.676 0.000 1.124 293 S CB 1.520 64.549 63.200 -0.286 0.000 1.104 293 S HN 0.379 nan 8.310 nan 0.000 0.623 294 E N 0.489 120.565 120.200 -0.208 0.000 2.363 294 E HA 0.431 4.781 4.350 -0.000 0.000 0.281 294 E C -1.639 175.131 176.600 0.283 0.000 0.953 294 E CA -0.831 55.655 56.400 0.143 0.000 0.778 294 E CB 1.331 31.086 29.700 0.091 0.000 1.220 294 E HN 0.120 nan 8.360 nan 0.000 0.431 295 I N 3.497 124.200 120.570 0.222 0.000 2.428 295 I HA 0.131 4.301 4.170 -0.000 0.000 0.289 295 I C 0.915 176.966 176.117 -0.110 0.000 1.019 295 I CA 0.099 61.353 61.300 -0.076 0.000 1.351 295 I CB 1.244 38.955 38.000 -0.482 0.000 1.412 295 I HN 0.692 nan 8.210 nan 0.000 0.513 296 E N 3.080 123.214 120.200 -0.109 0.000 2.340 296 E HA 0.087 4.437 4.350 -0.000 0.000 0.198 296 E C 0.293 176.931 176.600 0.063 0.000 0.961 296 E CA 0.372 56.785 56.400 0.021 0.000 0.905 296 E CB 0.598 30.315 29.700 0.029 0.000 0.884 296 E HN 0.722 nan 8.360 nan 0.000 0.491 297 S N -0.417 115.241 115.700 -0.070 0.000 2.611 297 S HA 0.497 4.967 4.470 -0.000 0.000 0.268 297 S C -1.444 173.150 174.600 -0.010 0.000 1.156 297 S CA -1.044 57.221 58.200 0.107 0.000 0.817 297 S CB 1.333 64.647 63.200 0.190 0.000 1.122 297 S HN 0.011 nan 8.310 nan 0.000 0.466 298 L N 1.934 123.285 121.223 0.213 0.000 2.287 298 L HA 0.534 4.874 4.340 -0.000 0.000 0.287 298 L C -0.693 176.274 176.870 0.161 0.000 1.022 298 L CA -0.149 54.758 54.840 0.111 0.000 0.814 298 L CB 0.722 42.855 42.059 0.124 0.000 1.217 298 L HN 0.884 nan 8.230 nan 0.000 0.420 299 H N 6.372 125.399 119.070 -0.071 0.000 2.668 299 H HA 0.430 4.986 4.556 -0.000 0.000 0.303 299 H C -0.202 175.067 175.328 -0.098 0.000 1.074 299 H CA -0.460 55.548 56.048 -0.068 0.000 1.406 299 H CB 1.010 30.737 29.762 -0.058 0.000 1.442 299 H HN 0.672 nan 8.280 nan 0.000 0.482 300 I N 0.402 120.958 120.570 -0.024 0.000 2.910 300 I HA 0.417 4.587 4.170 -0.000 0.000 0.310 300 I C -0.785 175.377 176.117 0.075 0.000 1.043 300 I CA -0.934 60.329 61.300 -0.061 0.000 1.053 300 I CB 2.861 40.703 38.000 -0.263 0.000 1.242 300 I HN 0.596 nan 8.210 nan 0.000 0.452 301 H N 3.110 122.167 119.070 -0.021 0.000 2.906 301 H HA 0.212 4.768 4.556 -0.000 0.000 0.324 301 H C -1.477 173.887 175.328 0.059 0.000 0.973 301 H CA -0.703 55.349 56.048 0.007 0.000 1.321 301 H CB 1.429 31.194 29.762 0.004 0.000 1.535 301 H HN 0.780 nan 8.280 nan 0.000 0.518 302 D N 5.586 126.055 120.400 0.115 0.000 2.358 302 D HA -0.009 4.631 4.640 -0.000 0.000 0.258 302 D C 1.116 177.320 176.300 -0.160 0.000 1.223 302 D CA -0.019 54.011 54.000 0.050 0.000 0.886 302 D CB 1.027 41.956 40.800 0.215 0.000 1.120 302 D HN 0.681 nan 8.370 nan 0.000 0.482 303 L N 4.387 125.503 121.223 -0.178 0.000 2.217 303 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 303 L C 2.043 178.871 176.870 -0.070 0.000 1.107 303 L CA 0.251 54.966 54.840 -0.209 0.000 0.783 303 L CB -0.094 41.916 42.059 -0.082 0.000 0.919 303 L HN 0.523 nan 8.230 nan 0.000 0.442 304 I N -0.439 120.127 120.570 -0.008 0.000 2.206 304 I HA -0.181 3.989 4.170 -0.000 0.000 0.239 304 I C 2.829 178.967 176.117 0.035 0.000 1.078 304 I CA 1.754 63.068 61.300 0.023 0.000 1.367 304 I CB -1.402 36.624 38.000 0.043 0.000 1.078 304 I HN 0.298 nan 8.210 nan 0.000 0.413 305 S N 0.740 116.474 115.700 0.057 0.000 2.387 305 S HA -0.006 4.464 4.470 -0.000 0.000 0.226 305 S C 1.881 176.523 174.600 0.069 0.000 1.026 305 S CA 1.427 59.671 58.200 0.074 0.000 0.972 305 S CB -0.231 63.040 63.200 0.119 0.000 0.814 305 S HN 0.678 nan 8.310 nan 0.000 0.477 306 G N 0.775 109.622 108.800 0.078 0.000 2.175 306 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.244 306 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.244 306 G C -0.473 174.529 174.900 0.171 0.000 0.982 306 G CA 0.122 45.313 45.100 0.152 0.000 0.641 306 G HN 0.590 nan 8.290 nan 0.000 0.527 307 D N 0.657 121.105 120.400 0.080 0.000 2.341 307 D HA 0.531 5.171 4.640 -0.000 0.000 0.245 307 D C 0.936 177.106 176.300 -0.216 0.000 1.106 307 D CA 0.130 54.049 54.000 -0.136 0.000 0.905 307 D CB 0.667 41.325 40.800 -0.238 0.000 1.202 307 D HN 0.419 nan 8.370 nan 0.000 0.426 308 R N 1.023 121.238 120.500 -0.475 0.000 2.589 308 R HA 0.634 4.974 4.340 -0.000 0.000 0.293 308 R C -0.704 175.136 176.300 -0.767 0.000 0.963 308 R CA -0.671 55.180 56.100 -0.415 0.000 0.905 308 R CB 1.237 31.366 30.300 -0.286 0.000 1.144 308 R HN 0.284 nan 8.270 nan 0.000 0.459 309 F N 0.091 119.957 119.950 -0.140 0.000 2.613 309 F HA 0.256 4.783 4.527 -0.000 0.000 0.314 309 F C -0.143 175.521 175.800 -0.227 0.000 1.075 309 F CA -1.079 56.826 58.000 -0.158 0.000 0.945 309 F CB 1.919 40.849 39.000 -0.116 0.000 1.310 309 F HN 0.447 nan 8.300 nan 0.000 0.467 310 E N 2.443 122.650 120.200 0.012 0.000 2.151 310 E HA 0.599 4.949 4.350 -0.000 0.000 0.275 310 E C -1.349 175.315 176.600 0.107 0.000 0.936 310 E CA -0.664 55.746 56.400 0.016 0.000 0.777 310 E CB 1.867 31.565 29.700 -0.003 0.000 1.108 310 E HN 0.284 nan 8.360 nan 0.000 0.401 311 I N 2.495 123.137 120.570 0.121 0.000 2.441 311 I HA 0.330 4.500 4.170 -0.000 0.000 0.295 311 I C -0.102 176.156 176.117 0.235 0.000 0.994 311 I CA -0.937 60.451 61.300 0.147 0.000 1.144 311 I CB 1.332 39.374 38.000 0.069 0.000 1.314 311 I HN 0.640 nan 8.210 nan 0.000 0.445 312 K N 4.369 124.898 120.400 0.215 0.000 2.221 312 K HA 0.850 5.170 4.320 -0.000 0.000 0.258 312 K C -1.131 175.547 176.600 0.130 0.000 0.944 312 K CA -0.330 56.091 56.287 0.224 0.000 0.823 312 K CB 1.992 34.586 32.500 0.157 0.000 1.113 312 K HN 0.823 nan 8.250 nan 0.000 0.431 313 A N 2.653 125.465 122.820 -0.014 0.000 2.594 313 A HA 0.357 4.677 4.320 -0.000 0.000 0.291 313 A C -0.565 176.914 177.584 -0.176 0.000 1.105 313 A CA -0.708 51.190 52.037 -0.232 0.000 0.694 313 A CB 1.147 19.803 19.000 -0.572 0.000 1.291 313 A HN 0.805 nan 8.150 nan 0.000 0.410 314 D N -0.481 119.864 120.400 -0.091 0.000 2.183 314 D HA 0.100 4.740 4.640 -0.000 0.000 0.203 314 D C 0.321 176.562 176.300 -0.099 0.000 0.969 314 D CA 1.705 55.725 54.000 0.034 0.000 0.842 314 D CB 0.154 41.036 40.800 0.138 0.000 0.957 314 D HN 0.221 nan 8.370 nan 0.000 0.484 315 V N 0.528 120.225 119.914 -0.362 0.000 2.638 315 V HA 0.282 4.402 4.120 -0.000 0.000 0.306 315 V C -1.312 174.548 176.094 -0.391 0.000 1.052 315 V CA -0.892 61.188 62.300 -0.366 0.000 0.885 315 V CB 1.930 33.407 31.823 -0.577 0.000 0.999 315 V HN -0.074 nan 8.190 nan 0.000 0.424 316 Y N 2.863 123.151 120.300 -0.020 0.000 2.328 316 Y HA 0.693 5.243 4.550 -0.000 0.000 0.336 316 Y C -0.109 175.753 175.900 -0.063 0.000 0.960 316 Y CA -0.900 57.174 58.100 -0.043 0.000 1.134 316 Y CB 2.161 40.597 38.460 -0.040 0.000 1.166 316 Y HN 0.358 nan 8.280 nan 0.000 0.464 317 V N 5.512 125.390 119.914 -0.060 0.000 2.409 317 V HA 0.392 4.512 4.120 -0.000 0.000 0.291 317 V C -0.444 175.519 176.094 -0.217 0.000 1.020 317 V CA -0.911 61.235 62.300 -0.256 0.000 0.848 317 V CB 1.660 33.111 31.823 -0.620 0.000 0.990 317 V HN 0.594 nan 8.190 nan 0.000 0.430 318 L N 5.230 126.322 121.223 -0.218 0.000 2.277 318 L HA 0.520 4.860 4.340 -0.000 0.000 0.284 318 L C 0.324 177.094 176.870 -0.167 0.000 1.028 318 L CA -0.181 54.554 54.840 -0.176 0.000 0.835 318 L CB 1.527 43.459 42.059 -0.212 0.000 1.215 318 L HN 0.806 nan 8.230 nan 0.000 0.425 319 T N -1.473 113.017 114.554 -0.108 0.000 3.532 319 T HA 0.379 4.729 4.350 -0.000 0.000 0.241 319 T C 0.654 175.360 174.700 0.009 0.000 1.238 319 T CA -0.242 61.836 62.100 -0.037 0.000 1.405 319 T CB 1.031 69.883 68.868 -0.026 0.000 0.971 319 T HN 0.529 nan 8.240 nan 0.000 0.640 320 A N 0.848 123.681 122.820 0.023 0.000 2.379 320 A HA 0.772 5.092 4.320 -0.000 0.000 0.236 320 A C 1.355 179.012 177.584 0.122 0.000 1.272 320 A CA 0.019 52.091 52.037 0.058 0.000 0.886 320 A CB -0.777 18.255 19.000 0.053 0.000 0.962 320 A HN 1.681 nan 8.150 nan 0.000 0.504 321 G N -2.412 106.461 108.800 0.120 0.000 2.699 321 G HA2 0.247 4.207 3.960 -0.000 0.000 0.686 321 G HA3 0.247 4.207 3.960 -0.000 0.000 0.686 321 G C 0.768 175.774 174.900 0.177 0.000 1.301 321 G CA -0.329 44.857 45.100 0.144 0.000 0.816 321 G HN 1.319 nan 8.290 nan 0.000 0.595 322 A N -0.296 122.618 122.820 0.156 0.000 1.972 322 A HA 0.201 4.521 4.320 -0.000 0.000 0.219 322 A C 2.605 180.279 177.584 0.150 0.000 1.169 322 A CA 3.159 55.284 52.037 0.147 0.000 0.635 322 A CB -0.259 18.795 19.000 0.089 0.000 0.810 322 A HN 1.574 nan 8.150 nan 0.000 0.446 323 V N -1.329 118.633 119.914 0.079 0.000 2.379 323 V HA -0.144 3.976 4.120 -0.000 0.000 0.243 323 V C 2.169 178.239 176.094 -0.039 0.000 1.035 323 V CA 1.990 64.289 62.300 -0.002 0.000 1.035 323 V CB -0.884 30.831 31.823 -0.181 0.000 0.673 323 V HN 0.724 nan 8.190 nan 0.000 0.457 324 H N -0.186 118.961 119.070 0.128 0.000 2.502 324 H HA -0.002 4.554 4.556 -0.000 0.000 0.283 324 H C 2.248 177.572 175.328 -0.007 0.000 1.015 324 H CA 0.952 57.029 56.048 0.048 0.000 1.298 324 H CB 0.118 29.889 29.762 0.014 0.000 1.411 324 H HN 0.309 nan 8.280 nan 0.000 0.556 325 N N -0.165 118.602 118.700 0.112 0.000 2.104 325 N HA -0.123 4.617 4.740 -0.000 0.000 0.190 325 N C 1.729 177.216 175.510 -0.038 0.000 1.024 325 N CA 1.767 54.812 53.050 -0.007 0.000 0.853 325 N CB -0.458 37.995 38.487 -0.056 0.000 1.008 325 N HN 0.325 nan 8.380 nan 0.000 0.424 326 T N 0.853 115.459 114.554 0.085 0.000 2.777 326 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 326 T C 1.864 176.440 174.700 -0.206 0.000 1.040 326 T CA 1.059 63.212 62.100 0.089 0.000 1.141 326 T CB -0.201 68.866 68.868 0.332 0.000 0.868 326 T HN 0.346 nan 8.240 nan 0.000 0.444 327 Q N 0.437 119.992 119.800 -0.408 0.000 2.061 327 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 327 Q C 2.333 178.056 176.000 -0.461 0.000 0.984 327 Q CA 1.308 56.538 55.803 -0.955 0.000 0.846 327 Q CB -0.320 28.170 28.738 -0.413 0.000 0.902 327 Q HN 0.499 nan 8.270 nan 0.000 0.421 328 L N 0.234 121.321 121.223 -0.226 0.000 2.046 328 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 328 L C 2.250 179.027 176.870 -0.155 0.000 1.077 328 L CA 0.977 55.722 54.840 -0.158 0.000 0.747 328 L CB -0.137 41.850 42.059 -0.119 0.000 0.896 328 L HN 0.341 nan 8.230 nan 0.000 0.432 329 L N -1.342 119.772 121.223 -0.183 0.000 2.017 329 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 329 L C 2.438 179.323 176.870 0.026 0.000 1.073 329 L CA 1.002 55.753 54.840 -0.147 0.000 0.745 329 L CB -0.530 41.344 42.059 -0.309 0.000 0.894 329 L HN 0.103 nan 8.230 nan 0.000 0.432 330 V N -0.134 119.729 119.914 -0.086 0.000 2.427 330 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 330 V C 2.090 178.152 176.094 -0.054 0.000 1.051 330 V CA 1.847 64.121 62.300 -0.043 0.000 1.048 330 V CB -0.683 31.076 31.823 -0.108 0.000 0.666 330 V HN 0.479 nan 8.190 nan 0.000 0.456 331 N N 0.018 118.646 118.700 -0.121 0.000 2.453 331 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 331 N C 1.538 177.017 175.510 -0.052 0.000 1.041 331 N CA 1.194 54.194 53.050 -0.082 0.000 0.900 331 N CB -0.030 38.398 38.487 -0.099 0.000 0.961 331 N HN 0.377 nan 8.380 nan 0.000 0.443 332 S N -1.626 114.065 115.700 -0.016 0.000 2.539 332 S HA 0.325 4.795 4.470 -0.000 0.000 0.221 332 S C 0.995 175.560 174.600 -0.058 0.000 0.987 332 S CA 0.222 58.413 58.200 -0.015 0.000 0.929 332 S CB 0.603 63.848 63.200 0.076 0.000 0.832 332 S HN 0.528 nan 8.310 nan 0.000 0.492 333 G N 1.280 110.055 108.800 -0.041 0.000 2.141 333 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.242 333 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.242 333 G C -0.059 174.731 174.900 -0.183 0.000 0.982 333 G CA -0.412 44.621 45.100 -0.113 0.000 0.662 333 G HN 0.424 nan 8.290 nan 0.000 0.527 334 F N 0.840 120.747 119.950 -0.072 0.000 2.382 334 F HA 0.518 5.045 4.527 -0.000 0.000 0.331 334 F C 1.664 177.464 175.800 -0.001 0.000 1.121 334 F CA 1.092 59.064 58.000 -0.047 0.000 1.183 334 F CB 0.819 39.759 39.000 -0.099 0.000 1.207 334 F HN 0.765 nan 8.300 nan 0.000 0.555 335 G N 1.875 110.809 108.800 0.223 0.000 2.566 335 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.280 335 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.280 335 G C -0.729 174.240 174.900 0.114 0.000 1.225 335 G CA 0.161 45.361 45.100 0.167 0.000 0.966 335 G HN 0.858 nan 8.290 nan 0.000 0.560 336 Q N -1.054 118.820 119.800 0.123 0.000 2.285 336 Q HA 0.613 4.953 4.340 -0.000 0.000 0.269 336 Q C -0.904 175.174 176.000 0.130 0.000 1.030 336 Q CA -1.001 54.855 55.803 0.088 0.000 0.788 336 Q CB 1.715 30.484 28.738 0.051 0.000 1.266 336 Q HN 0.837 nan 8.270 nan 0.000 0.438 337 L N 3.459 124.748 121.223 0.110 0.000 2.417 337 L HA 0.703 5.043 4.340 -0.000 0.000 0.268 337 L C 0.491 177.435 176.870 0.122 0.000 1.158 337 L CA 2.138 57.068 54.840 0.151 0.000 0.819 337 L CB 0.889 43.012 42.059 0.106 0.000 1.112 337 L HN 0.874 nan 8.230 nan 0.000 0.458 338 G N 3.466 112.388 108.800 0.204 0.000 2.728 338 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.294 338 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.294 338 G C -0.466 174.285 174.900 -0.247 0.000 1.342 338 G CA -0.133 45.029 45.100 0.103 0.000 0.866 338 G HN 0.923 nan 8.290 nan 0.000 0.534 339 R N 0.753 120.886 120.500 -0.612 0.000 2.449 339 R HA 0.388 4.728 4.340 -0.000 0.000 0.296 339 R C -1.933 173.909 176.300 -0.763 0.000 1.047 339 R CA -0.700 54.619 56.100 -1.301 0.000 1.018 339 R CB -0.035 29.796 30.300 -0.782 0.000 0.962 339 R HN 0.348 nan 8.270 nan 0.000 0.428 340 P HA -0.133 nan 4.420 nan 0.000 0.261 340 P C -1.311 175.826 177.300 -0.272 0.000 1.165 340 P CA 0.754 63.608 63.100 -0.410 0.000 0.759 340 P CB 0.299 31.777 31.700 -0.370 0.000 0.772 341 N N 3.702 122.301 118.700 -0.168 0.000 2.607 341 N HA 0.189 4.929 4.740 -0.000 0.000 0.271 341 N C -1.896 173.570 175.510 -0.073 0.000 1.142 341 N CA -1.746 51.234 53.050 -0.116 0.000 0.810 341 N CB 1.293 39.719 38.487 -0.103 0.000 1.306 341 N HN 0.160 nan 8.380 nan 0.000 0.536 342 P HA 0.018 nan 4.420 nan 0.000 0.229 342 P C 0.679 177.963 177.300 -0.027 0.000 1.160 342 P CA 0.487 63.563 63.100 -0.039 0.000 0.777 342 P CB 0.259 31.936 31.700 -0.038 0.000 0.814 343 A N -0.438 122.363 122.820 -0.031 0.000 2.291 343 A HA 0.058 4.378 4.320 -0.000 0.000 0.220 343 A C 0.983 178.555 177.584 -0.020 0.000 1.262 343 A CA 0.148 52.172 52.037 -0.023 0.000 0.867 343 A CB -1.037 17.949 19.000 -0.023 0.000 0.888 343 A HN 0.172 nan 8.150 nan 0.000 0.487 344 N N 0.479 119.166 118.700 -0.022 0.000 2.679 344 N HA 0.162 4.902 4.740 -0.000 0.000 0.240 344 N C -3.328 172.175 175.510 -0.013 0.000 1.537 344 N CA -0.608 52.431 53.050 -0.019 0.000 0.793 344 N CB 1.219 39.690 38.487 -0.026 0.000 1.391 344 N HN 0.068 nan 8.380 nan 0.000 0.524 345 P HA 0.349 nan 4.420 nan 0.000 0.275 345 P C -2.537 174.772 177.300 0.014 0.000 1.228 345 P CA -0.851 62.253 63.100 0.007 0.000 0.786 345 P CB 0.028 31.735 31.700 0.012 0.000 0.927 346 P HA 0.155 nan 4.420 nan 0.000 0.272 346 P C 0.903 178.223 177.300 0.033 0.000 1.223 346 P CA -0.129 62.991 63.100 0.034 0.000 0.784 346 P CB 0.796 32.533 31.700 0.062 0.000 0.923 347 E N 0.166 120.377 120.200 0.020 0.000 2.051 347 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 347 E C 0.182 176.808 176.600 0.042 0.000 0.991 347 E CA 0.989 57.398 56.400 0.015 0.000 0.799 347 E CB 0.057 29.749 29.700 -0.012 0.000 0.748 347 E HN 0.375 nan 8.360 nan 0.000 0.449 348 L N 0.998 122.257 121.223 0.059 0.000 2.341 348 L HA 0.275 4.615 4.340 -0.000 0.000 0.278 348 L C -0.058 176.934 176.870 0.203 0.000 1.005 348 L CA -0.677 54.240 54.840 0.129 0.000 0.818 348 L CB 1.878 43.956 42.059 0.031 0.000 1.259 348 L HN 0.141 nan 8.230 nan 0.000 0.418 349 L N 4.071 125.439 121.223 0.241 0.000 3.826 349 L HA -0.178 4.162 4.340 -0.000 0.000 0.566 349 L C -1.459 175.523 176.870 0.185 0.000 1.217 349 L CA -0.456 54.525 54.840 0.235 0.000 0.823 349 L CB -0.743 41.482 42.059 0.277 0.000 1.381 349 L HN 0.594 nan 8.230 nan 0.000 0.825 350 P HA -0.094 nan 4.420 nan 0.000 0.226 350 P C 1.208 178.604 177.300 0.159 0.000 1.153 350 P CA 0.902 64.078 63.100 0.128 0.000 0.777 350 P CB 0.361 32.118 31.700 0.095 0.000 0.794 351 S N -0.594 115.222 115.700 0.193 0.000 2.593 351 S HA 0.069 4.539 4.470 -0.000 0.000 0.217 351 S C 0.818 175.577 174.600 0.265 0.000 0.966 351 S CA -0.403 57.959 58.200 0.270 0.000 0.914 351 S CB -0.665 62.687 63.200 0.254 0.000 0.776 351 S HN 0.074 nan 8.310 nan 0.000 0.523 352 L N 2.281 123.637 121.223 0.220 0.000 2.513 352 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 352 L C 1.164 178.171 176.870 0.229 0.000 1.187 352 L CA 1.158 56.129 54.840 0.218 0.000 0.895 352 L CB -0.288 41.887 42.059 0.193 0.000 1.147 352 L HN 0.332 nan 8.230 nan 0.000 0.483 353 G N 2.355 111.300 108.800 0.242 0.000 2.162 353 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 353 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 353 G C 0.430 175.449 174.900 0.199 0.000 0.976 353 G CA 0.344 45.584 45.100 0.233 0.000 0.655 353 G HN 0.828 nan 8.290 nan 0.000 0.533 354 S N -1.765 114.061 115.700 0.209 0.000 2.689 354 S HA 0.655 5.125 4.470 -0.000 0.000 0.306 354 S C 0.369 175.096 174.600 0.211 0.000 1.104 354 S CA 0.053 58.313 58.200 0.100 0.000 0.973 354 S CB 0.866 64.053 63.200 -0.022 0.000 1.121 354 S HN 0.935 nan 8.310 nan 0.000 0.523 355 Y N -0.796 119.573 120.300 0.116 0.000 4.177 355 Y HA -0.209 4.341 4.550 -0.000 0.000 0.227 355 Y C 0.506 176.489 175.900 0.139 0.000 1.154 355 Y CA 0.268 58.436 58.100 0.112 0.000 1.887 355 Y CB -2.144 36.377 38.460 0.102 0.000 1.594 355 Y HN 0.585 nan 8.280 nan 0.000 0.668 356 I N -0.135 120.586 120.570 0.250 0.000 2.696 356 I HA 0.512 4.682 4.170 -0.000 0.000 0.284 356 I C 0.655 176.940 176.117 0.280 0.000 1.129 356 I CA 0.362 61.811 61.300 0.248 0.000 1.410 356 I CB 1.352 39.496 38.000 0.239 0.000 1.399 356 I HN 0.191 nan 8.210 nan 0.000 0.579 357 T N 1.749 116.423 114.554 0.199 0.000 2.893 357 T HA 0.688 5.038 4.350 -0.000 0.000 0.291 357 T C -0.689 174.025 174.700 0.023 0.000 1.028 357 T CA -0.692 61.511 62.100 0.172 0.000 0.995 357 T CB 2.137 71.055 68.868 0.083 0.000 1.051 357 T HN 0.816 nan 8.240 nan 0.000 0.470 358 E N 0.986 121.175 120.200 -0.018 0.000 2.331 358 E HA 0.338 4.688 4.350 -0.000 0.000 0.275 358 E C -1.102 175.605 176.600 0.178 0.000 0.895 358 E CA -0.552 55.809 56.400 -0.065 0.000 0.753 358 E CB 2.047 31.496 29.700 -0.418 0.000 1.216 358 E HN 0.710 nan 8.360 nan 0.000 0.434 359 Q N 1.157 121.080 119.800 0.205 0.000 2.352 359 Q HA 0.372 4.712 4.340 -0.000 0.000 0.260 359 Q C -0.324 175.894 176.000 0.363 0.000 0.976 359 Q CA -0.051 55.932 55.803 0.300 0.000 0.881 359 Q CB 0.965 29.928 28.738 0.375 0.000 1.235 359 Q HN 0.455 nan 8.270 nan 0.000 0.419 360 S N 1.499 117.345 115.700 0.244 0.000 2.576 360 S HA 0.334 4.804 4.470 -0.000 0.000 0.276 360 S C -0.675 173.979 174.600 0.089 0.000 1.339 360 S CA -0.448 57.763 58.200 0.019 0.000 1.039 360 S CB 0.388 63.498 63.200 -0.150 0.000 0.902 360 S HN 0.387 nan 8.310 nan 0.000 0.516 361 L N 4.267 125.508 121.223 0.030 0.000 2.438 361 L HA 0.706 5.046 4.340 -0.000 0.000 0.270 361 L C -0.861 175.867 176.870 -0.237 0.000 0.972 361 L CA -0.654 54.102 54.840 -0.140 0.000 0.831 361 L CB 1.647 43.605 42.059 -0.168 0.000 1.273 361 L HN 0.467 nan 8.230 nan 0.000 0.405 362 V N 1.924 121.615 119.914 -0.373 0.000 2.769 362 V HA 0.777 4.897 4.120 -0.000 0.000 0.312 362 V C -0.999 174.952 176.094 -0.239 0.000 1.058 362 V CA -0.668 61.336 62.300 -0.493 0.000 0.952 362 V CB 1.704 33.048 31.823 -0.799 0.000 1.019 362 V HN 0.833 nan 8.190 nan 0.000 0.445 363 F N 4.403 124.133 119.950 -0.366 0.000 2.608 363 F HA 0.866 5.393 4.527 -0.000 0.000 0.309 363 F C -0.426 175.228 175.800 -0.243 0.000 1.103 363 F CA -0.303 57.559 58.000 -0.230 0.000 0.954 363 F CB 1.431 40.336 39.000 -0.158 0.000 1.267 363 F HN 1.212 nan 8.300 nan 0.000 0.444 364 C N 2.876 121.498 119.300 -1.129 0.000 3.332 364 C HA 0.816 5.276 4.460 -0.000 0.000 0.329 364 C C -1.650 172.724 174.990 -1.026 0.000 1.434 364 C CA -0.671 57.648 59.018 -1.164 0.000 1.314 364 C CB 1.700 29.025 27.740 -0.691 0.000 1.664 364 C HN 0.973 nan 8.230 nan 0.000 0.457 365 Q N 0.521 119.972 119.800 -0.581 0.000 2.387 365 Q HA 0.770 5.110 4.340 -0.000 0.000 0.273 365 Q C -0.503 175.511 176.000 0.023 0.000 1.089 365 Q CA -0.225 55.473 55.803 -0.175 0.000 0.824 365 Q CB 2.729 31.361 28.738 -0.176 0.000 1.367 365 Q HN 0.944 nan 8.270 nan 0.000 0.443 366 T N -2.571 112.081 114.554 0.163 0.000 2.930 366 T HA 0.714 5.064 4.350 -0.000 0.000 0.290 366 T C -0.589 174.164 174.700 0.088 0.000 1.052 366 T CA -0.722 61.443 62.100 0.107 0.000 1.017 366 T CB 1.255 70.195 68.868 0.119 0.000 1.137 366 T HN 0.259 nan 8.240 nan 0.000 0.511 367 V N 2.395 122.330 119.914 0.034 0.000 2.384 367 V HA 0.410 4.530 4.120 -0.000 0.000 0.287 367 V C 0.242 176.344 176.094 0.013 0.000 1.020 367 V CA -0.913 61.400 62.300 0.022 0.000 0.850 367 V CB 1.246 33.072 31.823 0.005 0.000 0.987 367 V HN 1.025 nan 8.190 nan 0.000 0.436 368 M N 4.889 124.504 119.600 0.025 0.000 2.248 368 M HA 0.089 4.569 4.480 -0.000 0.000 0.343 368 M C 0.884 177.187 176.300 0.005 0.000 1.243 368 M CA 0.683 55.999 55.300 0.026 0.000 1.025 368 M CB 0.582 33.195 32.600 0.022 0.000 1.759 368 M HN 0.926 nan 8.290 nan 0.000 0.452 369 S N 2.639 118.339 115.700 0.000 0.000 2.563 369 S HA 0.031 4.501 4.470 -0.000 0.000 0.284 369 S C 1.041 175.639 174.600 -0.003 0.000 1.331 369 S CA -0.072 58.119 58.200 -0.015 0.000 1.047 369 S CB 0.486 63.673 63.200 -0.023 0.000 0.859 369 S HN 0.812 nan 8.310 nan 0.000 0.514 370 T N 2.139 116.688 114.554 -0.009 0.000 2.699 370 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 370 T C 1.681 176.385 174.700 0.007 0.000 1.036 370 T CA 1.960 64.060 62.100 -0.000 0.000 1.147 370 T CB -0.508 68.357 68.868 -0.006 0.000 0.862 370 T HN 0.772 nan 8.240 nan 0.000 0.446 371 E N 0.636 120.837 120.200 0.001 0.000 2.058 371 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 371 E C 2.285 178.901 176.600 0.025 0.000 0.997 371 E CA 1.019 57.423 56.400 0.007 0.000 0.801 371 E CB -0.323 29.375 29.700 -0.004 0.000 0.746 371 E HN 0.433 nan 8.360 nan 0.000 0.450 372 L N 0.653 121.893 121.223 0.029 0.000 2.056 372 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 372 L C 2.454 179.362 176.870 0.064 0.000 1.078 372 L CA 0.406 55.278 54.840 0.053 0.000 0.749 372 L CB -0.222 41.867 42.059 0.050 0.000 0.901 372 L HN 0.180 nan 8.230 nan 0.000 0.433 373 I N 0.014 120.608 120.570 0.041 0.000 2.226 373 I HA -0.288 3.881 4.170 -0.000 0.000 0.245 373 I C 2.143 178.291 176.117 0.052 0.000 1.100 373 I CA 1.520 62.841 61.300 0.036 0.000 1.374 373 I CB -1.092 36.919 38.000 0.018 0.000 1.057 373 I HN 0.280 nan 8.210 nan 0.000 0.413 374 D N 0.565 120.994 120.400 0.049 0.000 2.144 374 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 374 D C 2.357 178.706 176.300 0.082 0.000 0.984 374 D CA 1.607 55.640 54.000 0.055 0.000 0.834 374 D CB -0.106 40.716 40.800 0.037 0.000 0.955 374 D HN 0.371 nan 8.370 nan 0.000 0.465 375 S N -0.011 115.747 115.700 0.097 0.000 2.442 375 S HA -0.118 4.352 4.470 -0.000 0.000 0.236 375 S C 2.153 176.911 174.600 0.264 0.000 1.007 375 S CA 0.737 59.026 58.200 0.149 0.000 0.965 375 S CB -0.523 62.758 63.200 0.134 0.000 0.773 375 S HN 0.081 nan 8.310 nan 0.000 0.504 376 V N 2.878 122.921 119.914 0.214 0.000 2.392 376 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 376 V C 2.179 178.427 176.094 0.256 0.000 1.059 376 V CA 2.152 64.609 62.300 0.262 0.000 1.051 376 V CB -0.796 31.091 31.823 0.108 0.000 0.658 376 V HN 0.825 nan 8.190 nan 0.000 0.455 377 K N 0.334 120.836 120.400 0.170 0.000 2.498 377 K HA 0.194 4.514 4.320 -0.000 0.000 0.207 377 K C 1.587 178.254 176.600 0.111 0.000 1.033 377 K CA 0.667 57.035 56.287 0.134 0.000 1.138 377 K CB 0.215 32.775 32.500 0.099 0.000 0.860 377 K HN 0.396 nan 8.250 nan 0.000 0.490 378 S N 0.841 116.622 115.700 0.134 0.000 2.419 378 S HA -0.179 4.291 4.470 -0.000 0.000 0.235 378 S C 0.963 175.572 174.600 0.015 0.000 1.019 378 S CA 1.367 59.600 58.200 0.056 0.000 0.982 378 S CB -0.247 62.959 63.200 0.010 0.000 0.789 378 S HN 0.328 nan 8.310 nan 0.000 0.490 379 D N 0.623 121.040 120.400 0.028 0.000 2.339 379 D HA 0.245 4.885 4.640 -0.000 0.000 0.217 379 D C 0.201 176.536 176.300 0.058 0.000 1.050 379 D CA 0.201 54.203 54.000 0.003 0.000 0.856 379 D CB -0.011 40.762 40.800 -0.044 0.000 0.922 379 D HN 0.371 nan 8.370 nan 0.000 0.518 380 M N 0.498 120.135 119.600 0.062 0.000 2.250 380 M HA 0.223 4.703 4.480 -0.000 0.000 0.344 380 M C 0.313 176.645 176.300 0.053 0.000 1.150 380 M CA 0.166 55.512 55.300 0.077 0.000 1.147 380 M CB 0.896 33.536 32.600 0.067 0.000 1.498 380 M HN -0.307 nan 8.290 nan 0.000 0.461 381 T N 3.510 118.090 114.554 0.044 0.000 2.779 381 T HA 0.714 5.064 4.350 -0.000 0.000 0.280 381 T C -0.269 174.418 174.700 -0.022 0.000 0.987 381 T CA -0.414 61.693 62.100 0.011 0.000 0.966 381 T CB 1.013 69.883 68.868 0.003 0.000 0.933 381 T HN 0.373 nan 8.240 nan 0.000 0.442 382 I N 2.744 123.301 120.570 -0.021 0.000 2.433 382 I HA 0.491 4.661 4.170 -0.000 0.000 0.292 382 I C 0.362 176.459 176.117 -0.033 0.000 1.001 382 I CA -0.543 60.721 61.300 -0.059 0.000 1.119 382 I CB 1.531 39.548 38.000 0.029 0.000 1.289 382 I HN 0.276 nan 8.210 nan 0.000 0.438 383 R N 3.355 123.804 120.500 -0.085 0.000 2.740 383 R HA 0.738 5.078 4.340 -0.000 0.000 0.282 383 R C 0.176 176.514 176.300 0.062 0.000 0.969 383 R CA -0.149 55.939 56.100 -0.019 0.000 0.918 383 R CB 2.012 32.283 30.300 -0.049 0.000 1.175 383 R HN 0.882 nan 8.270 nan 0.000 0.464 384 G N 1.086 109.944 108.800 0.097 0.000 2.562 384 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.250 384 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.250 384 G C -0.816 174.206 174.900 0.203 0.000 1.269 384 G CA -0.047 45.143 45.100 0.149 0.000 0.919 384 G HN 0.695 nan 8.290 nan 0.000 0.574 385 T N -1.179 113.486 114.554 0.185 0.000 2.912 385 T HA 0.672 5.022 4.350 -0.000 0.000 0.299 385 T C -3.040 171.573 174.700 -0.144 0.000 1.052 385 T CA -1.193 60.954 62.100 0.077 0.000 0.996 385 T CB 2.435 71.315 68.868 0.020 0.000 1.070 385 T HN 0.576 nan 8.240 nan 0.000 0.465 386 P HA 0.147 nan 4.420 nan 0.000 0.263 386 P C 1.305 178.330 177.300 -0.459 0.000 1.162 386 P CA 1.871 64.395 63.100 -0.960 0.000 0.758 386 P CB -0.036 31.321 31.700 -0.571 0.000 0.773 387 G N 1.235 109.797 108.800 -0.397 0.000 2.268 387 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.240 387 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.240 387 G C 0.400 175.267 174.900 -0.056 0.000 1.010 387 G CA 0.456 45.464 45.100 -0.154 0.000 0.618 387 G HN 0.719 nan 8.290 nan 0.000 0.516 388 E N 0.428 120.611 120.200 -0.029 0.000 2.855 388 E HA 0.553 4.903 4.350 -0.000 0.000 0.259 388 E C 1.438 178.077 176.600 0.065 0.000 1.390 388 E CA -0.408 56.008 56.400 0.025 0.000 1.069 388 E CB 0.423 30.142 29.700 0.032 0.000 1.172 388 E HN 0.216 nan 8.360 nan 0.000 0.668 389 L N 0.426 121.682 121.223 0.055 0.000 2.095 389 L HA -0.044 4.296 4.340 -0.000 0.000 0.204 389 L C 2.147 179.055 176.870 0.064 0.000 1.080 389 L CA 2.414 57.284 54.840 0.050 0.000 0.759 389 L CB -0.865 41.213 42.059 0.031 0.000 0.914 389 L HN 0.870 nan 8.230 nan 0.000 0.439 390 T N -3.527 111.068 114.554 0.069 0.000 3.244 390 T HA 0.032 4.382 4.350 -0.000 0.000 0.254 390 T C 0.331 175.086 174.700 0.092 0.000 1.024 390 T CA -0.469 61.666 62.100 0.058 0.000 0.920 390 T CB -1.017 67.873 68.868 0.036 0.000 1.042 390 T HN 0.086 nan 8.240 nan 0.000 0.572 391 Y N 2.700 122.999 120.300 -0.001 0.000 2.677 391 Y HA 0.411 4.961 4.550 -0.000 0.000 0.335 391 Y C 0.208 176.108 175.900 0.000 0.000 1.162 391 Y CA -0.539 57.561 58.100 -0.000 0.000 1.483 391 Y CB 0.004 38.462 38.460 -0.003 0.000 1.209 391 Y HN 0.287 nan 8.280 nan 0.000 0.528 392 S N 5.101 120.525 115.700 -0.461 0.000 2.571 392 S HA 0.729 5.199 4.470 -0.000 0.000 0.284 392 S C -1.769 172.525 174.600 -0.511 0.000 1.128 392 S CA -0.727 57.237 58.200 -0.394 0.000 0.970 392 S CB 0.834 63.931 63.200 -0.171 0.000 1.039 392 S HN 0.409 nan 8.310 nan 0.000 0.485 393 V N 4.619 124.302 119.914 -0.385 0.000 2.409 393 V HA 0.705 4.825 4.120 -0.000 0.000 0.291 393 V C 0.242 176.299 176.094 -0.062 0.000 1.020 393 V CA -0.492 61.675 62.300 -0.222 0.000 0.848 393 V CB 1.176 32.899 31.823 -0.166 0.000 0.990 393 V HN 1.016 nan 8.190 nan 0.000 0.430 394 T N 1.764 116.314 114.554 -0.008 0.000 2.887 394 T HA 0.888 5.238 4.350 -0.000 0.000 0.292 394 T C -0.967 173.833 174.700 0.165 0.000 1.087 394 T CA -0.739 61.388 62.100 0.046 0.000 1.009 394 T CB 2.383 71.228 68.868 -0.038 0.000 1.203 394 T HN 0.811 nan 8.240 nan 0.000 0.518 395 Y N -1.936 118.353 120.300 -0.019 0.000 2.689 395 Y HA 0.770 5.320 4.550 -0.000 0.000 0.333 395 Y C -0.969 174.921 175.900 -0.017 0.000 1.190 395 Y CA -1.353 56.737 58.100 -0.016 0.000 1.063 395 Y CB 0.781 39.238 38.460 -0.006 0.000 1.294 395 Y HN 0.629 nan 8.280 nan 0.000 0.466 396 T N 4.042 118.560 114.554 -0.060 0.000 2.781 396 T HA 0.402 4.752 4.350 -0.000 0.000 0.305 396 T C -2.812 171.859 174.700 -0.048 0.000 1.001 396 T CA -1.315 60.704 62.100 -0.135 0.000 0.950 396 T CB 0.554 69.398 68.868 -0.039 0.000 0.955 396 T HN 0.343 nan 8.240 nan 0.000 0.471 397 P HA 0.170 nan 4.420 nan 0.000 0.262 397 P C 1.130 178.459 177.300 0.048 0.000 1.182 397 P CA 0.758 63.876 63.100 0.029 0.000 0.761 397 P CB 0.309 31.972 31.700 -0.061 0.000 0.795 398 G N 2.122 110.973 108.800 0.085 0.000 2.175 398 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.265 398 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.265 398 G C 0.504 175.413 174.900 0.015 0.000 0.979 398 G CA 0.085 45.209 45.100 0.039 0.000 0.663 398 G HN 0.871 nan 8.290 nan 0.000 0.533 399 A N 0.495 123.325 122.820 0.017 0.000 2.546 399 A HA 0.594 4.914 4.320 -0.000 0.000 0.243 399 A C 1.844 179.414 177.584 -0.023 0.000 1.063 399 A CA 1.303 53.337 52.037 -0.004 0.000 0.757 399 A CB 0.209 19.209 19.000 -0.000 0.000 0.991 399 A HN 1.779 nan 8.150 nan 0.000 0.503 400 S N 1.880 117.563 115.700 -0.028 0.000 2.400 400 S HA -0.201 4.269 4.470 -0.000 0.000 0.232 400 S C 1.542 176.108 174.600 -0.057 0.000 1.025 400 S CA 1.914 60.091 58.200 -0.039 0.000 0.993 400 S CB -1.077 62.104 63.200 -0.031 0.000 0.808 400 S HN 1.179 nan 8.310 nan 0.000 0.478 401 T N -0.502 114.019 114.554 -0.055 0.000 3.085 401 T HA 0.118 4.468 4.350 -0.000 0.000 0.263 401 T C 0.550 175.186 174.700 -0.106 0.000 1.127 401 T CA -0.026 62.032 62.100 -0.071 0.000 1.103 401 T CB -0.715 68.121 68.868 -0.053 0.000 0.921 401 T HN 0.272 nan 8.240 nan 0.000 0.510 402 N N 2.314 120.950 118.700 -0.108 0.000 2.458 402 N HA 0.123 4.863 4.740 -0.000 0.000 0.258 402 N C 0.964 176.301 175.510 -0.288 0.000 1.219 402 N CA -0.126 52.822 53.050 -0.169 0.000 0.902 402 N CB 0.776 39.191 38.487 -0.120 0.000 1.076 402 N HN 0.166 nan 8.380 nan 0.000 0.455 403 K N 1.238 121.353 120.400 -0.475 0.000 2.365 403 K HA 0.044 4.364 4.320 -0.000 0.000 0.197 403 K C -0.048 175.962 176.600 -0.984 0.000 1.042 403 K CA 0.776 56.631 56.287 -0.720 0.000 0.987 403 K CB 0.107 32.052 32.500 -0.926 0.000 0.779 403 K HN 0.572 nan 8.250 nan 0.000 0.484 404 H N -0.159 118.574 119.070 -0.561 0.000 2.821 404 H HA 0.339 4.895 4.556 -0.000 0.000 0.373 404 H C -2.395 172.588 175.328 -0.575 0.000 1.165 404 H CA -2.500 53.042 56.048 -0.844 0.000 1.154 404 H CB 1.530 30.329 29.762 -1.604 0.000 1.765 404 H HN -0.161 nan 8.280 nan 0.000 0.549 405 P HA 0.038 nan 4.420 nan 0.000 0.274 405 P C 0.329 177.400 177.300 -0.382 0.000 1.246 405 P CA -0.271 62.607 63.100 -0.371 0.000 0.795 405 P CB 1.292 32.717 31.700 -0.457 0.000 1.006 406 D N 0.083 120.400 120.400 -0.139 0.000 2.149 406 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 406 D C 1.935 178.237 176.300 0.005 0.000 0.990 406 D CA 1.324 55.331 54.000 0.011 0.000 0.839 406 D CB -0.557 40.361 40.800 0.197 0.000 0.948 406 D HN 0.611 nan 8.370 nan 0.000 0.460 407 W N 0.293 121.669 121.300 0.125 0.000 2.342 407 W HA -0.154 4.506 4.660 -0.000 0.000 0.297 407 W C 1.960 178.556 176.519 0.128 0.000 1.213 407 W CA 0.224 57.638 57.345 0.115 0.000 1.251 407 W CB -1.343 28.179 29.460 0.103 0.000 1.136 407 W HN 0.066 nan 8.180 nan 0.000 0.526 408 W N 3.572 124.434 121.300 -0.730 0.000 2.408 408 W HA -0.155 4.505 4.660 -0.000 0.000 0.311 408 W C 1.934 178.205 176.519 -0.413 0.000 1.190 408 W CA 1.684 58.615 57.345 -0.689 0.000 1.321 408 W CB -1.096 27.674 29.460 -1.149 0.000 1.143 408 W HN -0.125 nan 8.180 nan 0.000 0.501 409 N N 1.094 119.720 118.700 -0.124 0.000 2.094 409 N HA -0.237 4.503 4.740 -0.000 0.000 0.191 409 N C 1.503 176.735 175.510 -0.464 0.000 1.023 409 N CA 2.157 54.907 53.050 -0.500 0.000 0.857 409 N CB -0.828 36.894 38.487 -1.276 0.000 1.013 409 N HN 0.238 nan 8.380 nan 0.000 0.426 410 E N 1.301 121.368 120.200 -0.222 0.000 2.058 410 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 410 E C 1.608 178.262 176.600 0.090 0.000 0.997 410 E CA 1.463 57.922 56.400 0.099 0.000 0.801 410 E CB 0.015 29.840 29.700 0.209 0.000 0.746 410 E HN 0.321 nan 8.360 nan 0.000 0.450 411 K N -0.650 119.793 120.400 0.071 0.000 2.057 411 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 411 K C 2.119 178.738 176.600 0.032 0.000 1.050 411 K CA 1.243 57.565 56.287 0.059 0.000 0.935 411 K CB -0.044 32.483 32.500 0.044 0.000 0.715 411 K HN 0.015 nan 8.250 nan 0.000 0.439 412 V N 1.978 121.885 119.914 -0.011 0.000 2.307 412 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 412 V C 2.368 178.510 176.094 0.079 0.000 1.045 412 V CA 1.672 63.981 62.300 0.016 0.000 1.024 412 V CB -0.432 31.404 31.823 0.021 0.000 0.651 412 V HN 0.332 nan 8.190 nan 0.000 0.449 413 K N 0.348 120.787 120.400 0.065 0.000 2.020 413 K HA -0.261 4.059 4.320 -0.000 0.000 0.212 413 K C 2.076 178.730 176.600 0.090 0.000 1.050 413 K CA 2.144 58.491 56.287 0.099 0.000 0.929 413 K CB -0.253 32.358 32.500 0.185 0.000 0.714 413 K HN 0.433 nan 8.250 nan 0.000 0.443 414 N N 0.281 119.042 118.700 0.101 0.000 2.084 414 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 414 N C 1.804 177.370 175.510 0.093 0.000 1.030 414 N CA 1.515 54.618 53.050 0.088 0.000 0.849 414 N CB -0.781 37.766 38.487 0.099 0.000 1.012 414 N HN 0.417 nan 8.380 nan 0.000 0.423 415 H N 0.858 119.954 119.070 0.042 0.000 2.289 415 H HA 0.009 4.565 4.556 -0.000 0.000 0.296 415 H C 2.086 177.456 175.328 0.069 0.000 1.091 415 H CA 2.009 58.088 56.048 0.051 0.000 1.274 415 H CB -0.178 29.535 29.762 -0.082 0.000 1.364 415 H HN 0.133 nan 8.280 nan 0.000 0.490 416 M N -1.191 118.395 119.600 -0.023 0.000 2.175 416 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 416 M C 2.275 178.617 176.300 0.070 0.000 1.063 416 M CA 1.578 56.879 55.300 0.001 0.000 1.119 416 M CB -0.071 32.598 32.600 0.115 0.000 1.377 416 M HN 0.371 nan 8.290 nan 0.000 0.415 417 M N 0.340 119.961 119.600 0.034 0.000 2.236 417 M HA -0.123 4.357 4.480 -0.000 0.000 0.266 417 M C 1.834 178.119 176.300 -0.026 0.000 1.070 417 M CA 1.900 57.226 55.300 0.043 0.000 1.137 417 M CB -0.096 32.505 32.600 0.003 0.000 1.378 417 M HN 0.137 nan 8.290 nan 0.000 0.426 418 Q N -1.177 118.537 119.800 -0.143 0.000 2.331 418 Q HA 0.004 4.344 4.340 -0.000 0.000 0.203 418 Q C -0.131 175.504 176.000 -0.609 0.000 0.944 418 Q CA 0.696 56.288 55.803 -0.351 0.000 0.892 418 Q CB 0.289 28.790 28.738 -0.395 0.000 0.983 418 Q HN 0.512 nan 8.270 nan 0.000 0.482 419 H N 0.078 119.072 119.070 -0.128 0.000 2.380 419 H HA 0.194 4.750 4.556 -0.000 0.000 0.231 419 H C -0.110 175.136 175.328 -0.138 0.000 1.415 419 H CA -0.084 55.885 56.048 -0.132 0.000 1.433 419 H CB 0.571 30.188 29.762 -0.243 0.000 1.544 419 H HN 0.238 nan 8.280 nan 0.000 0.503 420 Q N 0.671 120.460 119.800 -0.018 0.000 2.472 420 Q HA -0.088 4.252 4.340 -0.000 0.000 0.208 420 Q C 1.573 177.514 176.000 -0.099 0.000 0.958 420 Q CA 0.683 56.433 55.803 -0.088 0.000 0.932 420 Q CB 0.490 29.128 28.738 -0.167 0.000 1.007 420 Q HN 0.504 nan 8.270 nan 0.000 0.508 421 E N 0.742 120.933 120.200 -0.014 0.000 2.478 421 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 421 E C -0.370 176.254 176.600 0.041 0.000 1.045 421 E CA 0.279 56.681 56.400 0.003 0.000 0.868 421 E CB 0.001 29.721 29.700 0.032 0.000 0.885 421 E HN 0.149 nan 8.360 nan 0.000 0.505 422 D N 2.304 122.741 120.400 0.062 0.000 2.264 422 D HA 0.116 4.756 4.640 -0.000 0.000 0.250 422 D C -1.521 174.823 176.300 0.072 0.000 1.113 422 D CA -1.933 52.127 54.000 0.101 0.000 0.871 422 D CB 1.572 42.444 40.800 0.121 0.000 1.167 422 D HN -0.172 nan 8.370 nan 0.000 0.447 423 P HA 0.105 nan 4.420 nan 0.000 0.245 423 P C -0.158 177.181 177.300 0.065 0.000 1.206 423 P CA 0.182 63.316 63.100 0.057 0.000 0.781 423 P CB 0.385 32.111 31.700 0.044 0.000 0.994 424 L N 1.770 123.043 121.223 0.084 0.000 2.344 424 L HA 0.368 4.708 4.340 -0.000 0.000 0.272 424 L C -1.329 175.582 176.870 0.069 0.000 1.035 424 L CA -2.210 52.657 54.840 0.045 0.000 0.807 424 L CB 2.117 44.171 42.059 -0.008 0.000 1.237 424 L HN -0.276 nan 8.230 nan 0.000 0.442 425 P HA 0.099 nan 4.420 nan 0.000 0.255 425 P C 0.166 177.358 177.300 -0.180 0.000 1.248 425 P CA 0.498 63.612 63.100 0.023 0.000 0.807 425 P CB 0.404 32.123 31.700 0.031 0.000 1.150 426 I N 2.127 122.489 120.570 -0.345 0.000 2.395 426 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 426 I C -2.173 173.453 176.117 -0.819 0.000 1.023 426 I CA -2.860 58.170 61.300 -0.449 0.000 1.350 426 I CB 0.876 38.700 38.000 -0.293 0.000 1.409 426 I HN -0.250 nan 8.210 nan 0.000 0.507 427 P HA -0.000 nan 4.420 nan 0.000 0.266 427 P C 0.333 177.405 177.300 -0.381 0.000 1.195 427 P CA -0.016 62.728 63.100 -0.594 0.000 0.768 427 P CB 0.316 31.905 31.700 -0.186 0.000 0.838 428 F N 1.004 120.846 119.950 -0.180 0.000 2.154 428 F HA -0.160 4.367 4.527 -0.000 0.000 0.301 428 F C 1.685 177.449 175.800 -0.061 0.000 1.087 428 F CA 1.624 59.562 58.000 -0.104 0.000 1.274 428 F CB -0.877 38.078 39.000 -0.074 0.000 1.009 428 F HN 0.424 nan 8.300 nan 0.000 0.485 429 E N -0.543 119.746 120.200 0.149 0.000 2.499 429 E HA 0.012 4.362 4.350 -0.000 0.000 0.199 429 E C -0.205 176.421 176.600 0.042 0.000 1.016 429 E CA -0.246 56.211 56.400 0.095 0.000 0.933 429 E CB -0.118 29.642 29.700 0.100 0.000 1.050 429 E HN 0.167 nan 8.360 nan 0.000 0.462 430 D N 2.708 123.108 120.400 0.001 0.000 2.487 430 D HA 0.017 4.657 4.640 -0.000 0.000 0.243 430 D C -2.282 174.032 176.300 0.024 0.000 1.154 430 D CA -1.393 52.593 54.000 -0.024 0.000 0.876 430 D CB 0.790 41.534 40.800 -0.094 0.000 1.161 430 D HN -0.122 nan 8.370 nan 0.000 0.478 431 P HA 0.087 nan 4.420 nan 0.000 0.272 431 P C -0.378 177.034 177.300 0.187 0.000 1.240 431 P CA -0.409 62.785 63.100 0.157 0.000 0.791 431 P CB 0.369 32.176 31.700 0.177 0.000 0.978 432 E N 1.457 121.784 120.200 0.212 0.000 2.371 432 E HA 0.233 4.583 4.350 -0.000 0.000 0.257 432 E C -2.538 174.078 176.600 0.026 0.000 1.134 432 E CA -1.979 54.464 56.400 0.072 0.000 0.919 432 E CB -0.944 28.764 29.700 0.013 0.000 1.025 432 E HN 0.203 nan 8.360 nan 0.000 0.438 433 P HA 0.097 nan 4.420 nan 0.000 0.272 433 P C -0.512 176.760 177.300 -0.046 0.000 1.223 433 P CA -0.036 63.110 63.100 0.077 0.000 0.784 433 P CB 0.392 32.094 31.700 0.003 0.000 0.923 434 Q N 0.835 120.688 119.800 0.088 0.000 3.394 434 Q HA 0.299 4.639 4.340 -0.000 0.000 0.285 434 Q C -1.161 174.902 176.000 0.105 0.000 0.866 434 Q CA -0.252 55.489 55.803 -0.103 0.000 0.844 434 Q CB 1.084 29.489 28.738 -0.555 0.000 1.472 434 Q HN 0.172 nan 8.270 nan 0.000 0.401 435 V N 0.579 120.536 119.914 0.072 0.000 2.547 435 V HA 0.725 4.845 4.120 -0.000 0.000 0.299 435 V C 0.190 176.300 176.094 0.027 0.000 1.040 435 V CA -0.363 61.988 62.300 0.084 0.000 0.913 435 V CB 2.036 33.851 31.823 -0.013 0.000 0.992 435 V HN 0.427 nan 8.190 nan 0.000 0.449 436 T N 1.781 116.385 114.554 0.083 0.000 2.900 436 T HA 0.475 4.825 4.350 -0.000 0.000 0.303 436 T C -0.890 173.766 174.700 -0.074 0.000 1.142 436 T CA -0.329 61.764 62.100 -0.013 0.000 1.007 436 T CB 1.880 70.719 68.868 -0.048 0.000 1.156 436 T HN 0.819 nan 8.240 nan 0.000 0.490 437 T N 4.520 118.871 114.554 -0.337 0.000 2.772 437 T HA 0.593 4.943 4.350 -0.000 0.000 0.288 437 T C -0.028 174.521 174.700 -0.252 0.000 0.994 437 T CA -0.607 61.120 62.100 -0.622 0.000 0.951 437 T CB -0.255 67.781 68.868 -1.385 0.000 0.933 437 T HN 0.519 nan 8.240 nan 0.000 0.447 438 L N 4.569 125.723 121.223 -0.116 0.000 2.467 438 L HA 0.349 4.689 4.340 -0.000 0.000 0.270 438 L C 0.786 177.659 176.870 0.005 0.000 1.205 438 L CA -0.843 54.010 54.840 0.022 0.000 0.828 438 L CB 0.134 42.205 42.059 0.019 0.000 1.101 438 L HN 0.618 nan 8.230 nan 0.000 0.479 439 F N 2.974 122.852 119.950 -0.121 0.000 2.604 439 F HA -0.086 4.441 4.527 -0.000 0.000 0.390 439 F C 0.286 175.834 175.800 -0.419 0.000 1.053 439 F CA 0.645 58.483 58.000 -0.270 0.000 1.256 439 F CB 0.105 38.997 39.000 -0.180 0.000 0.996 439 F HN 0.403 nan 8.300 nan 0.000 0.564 440 Q N 6.551 125.889 119.800 -0.770 0.000 2.501 440 Q HA 0.261 4.601 4.340 -0.000 0.000 0.288 440 Q C -2.041 173.526 176.000 -0.721 0.000 1.051 440 Q CA -1.737 53.693 55.803 -0.623 0.000 0.788 440 Q CB 1.401 29.648 28.738 -0.817 0.000 1.469 440 Q HN 0.227 nan 8.270 nan 0.000 0.416 441 P HA -0.177 nan 4.420 nan 0.000 0.216 441 P C 1.162 178.249 177.300 -0.356 0.000 1.150 441 P CA 1.898 64.829 63.100 -0.282 0.000 0.837 441 P CB 0.205 31.832 31.700 -0.121 0.000 0.786 442 S N -1.408 114.086 115.700 -0.343 0.000 2.522 442 S HA -0.106 4.364 4.470 -0.000 0.000 0.227 442 S C 0.529 174.936 174.600 -0.322 0.000 0.986 442 S CA 0.186 58.251 58.200 -0.225 0.000 0.929 442 S CB -1.309 61.858 63.200 -0.054 0.000 0.769 442 S HN 0.438 nan 8.310 nan 0.000 0.529 443 H N -1.255 117.374 119.070 -0.735 0.000 2.538 443 H HA 0.476 5.032 4.556 -0.000 0.000 0.239 443 H C -3.233 170.933 175.328 -1.937 0.000 1.401 443 H CA -1.890 53.317 56.048 -1.402 0.000 1.499 443 H CB 0.472 29.683 29.762 -0.918 0.000 1.624 443 H HN 0.063 nan 8.280 nan 0.000 0.524 444 P HA 0.071 nan 4.420 nan 0.000 0.226 444 P C -1.233 175.380 177.300 -1.146 0.000 1.783 444 P CA 0.202 62.133 63.100 -1.948 0.000 0.980 444 P CB -1.076 30.068 31.700 -0.926 0.000 1.967 445 W N -0.474 120.471 121.300 -0.591 0.000 3.167 445 W HA 0.535 5.195 4.660 -0.000 0.000 0.324 445 W C -0.684 175.919 176.519 0.139 0.000 1.230 445 W CA -1.295 56.049 57.345 -0.003 0.000 1.184 445 W CB 0.108 29.600 29.460 0.054 0.000 1.414 445 W HN -0.018 nan 8.180 nan 0.000 0.551 446 H N 1.025 120.360 119.070 0.441 0.000 2.505 446 H HA 0.700 5.256 4.556 -0.000 0.000 0.351 446 H C -0.203 175.275 175.328 0.251 0.000 1.151 446 H CA 0.452 56.663 56.048 0.272 0.000 1.339 446 H CB 1.463 31.349 29.762 0.207 0.000 1.483 446 H HN 0.573 nan 8.280 nan 0.000 0.558 447 T N 1.967 116.155 114.554 -0.610 0.000 2.912 447 T HA 0.488 4.838 4.350 -0.000 0.000 0.299 447 T C -0.884 173.523 174.700 -0.489 0.000 1.052 447 T CA -1.132 60.662 62.100 -0.510 0.000 0.996 447 T CB 1.626 70.066 68.868 -0.713 0.000 1.070 447 T HN 0.666 nan 8.240 nan 0.000 0.465 448 Q N 1.865 121.581 119.800 -0.140 0.000 2.304 448 Q HA 0.581 4.921 4.340 -0.000 0.000 0.270 448 Q C -1.156 174.762 176.000 -0.136 0.000 1.035 448 Q CA -0.669 54.968 55.803 -0.278 0.000 0.781 448 Q CB 2.665 31.098 28.738 -0.507 0.000 1.261 448 Q HN 0.708 nan 8.270 nan 0.000 0.444 449 I N 3.777 124.222 120.570 -0.207 0.000 2.537 449 I HA 0.352 4.522 4.170 -0.000 0.000 0.276 449 I C -0.381 175.629 176.117 -0.178 0.000 1.063 449 I CA -0.233 60.826 61.300 -0.401 0.000 1.144 449 I CB 0.352 37.978 38.000 -0.623 0.000 1.252 449 I HN 0.777 nan 8.210 nan 0.000 0.480 450 H N 3.768 122.651 119.070 -0.311 0.000 3.150 450 H HA 0.654 5.210 4.556 -0.000 0.000 0.270 450 H C -1.176 174.074 175.328 -0.130 0.000 1.573 450 H CA -1.319 54.614 56.048 -0.191 0.000 1.195 450 H CB 1.356 31.029 29.762 -0.149 0.000 1.874 450 H HN 0.091 nan 8.280 nan 0.000 0.691 451 R N 1.213 121.490 120.500 -0.372 0.000 2.574 451 R HA 0.282 4.622 4.340 -0.000 0.000 0.288 451 R C -1.499 174.532 176.300 -0.448 0.000 1.004 451 R CA -0.580 55.295 56.100 -0.376 0.000 0.895 451 R CB 1.902 32.128 30.300 -0.122 0.000 1.191 451 R HN 0.904 nan 8.270 nan 0.000 0.444 452 D N 0.502 120.671 120.400 -0.385 0.000 2.687 452 D HA 0.448 5.088 4.640 -0.000 0.000 0.264 452 D C -0.453 175.834 176.300 -0.023 0.000 1.091 452 D CA -0.853 53.035 54.000 -0.186 0.000 1.123 452 D CB 0.310 41.024 40.800 -0.143 0.000 1.407 452 D HN 0.388 nan 8.370 nan 0.000 0.591 453 A N -0.421 122.408 122.820 0.016 0.000 2.566 453 A HA 0.368 4.688 4.320 -0.000 0.000 0.245 453 A C -0.822 176.832 177.584 0.118 0.000 1.056 453 A CA 0.197 52.290 52.037 0.093 0.000 0.757 453 A CB -0.891 18.194 19.000 0.143 0.000 0.979 453 A HN 0.454 nan 8.150 nan 0.000 0.508 454 F N 2.243 122.150 119.950 -0.072 0.000 2.591 454 F HA 0.485 5.012 4.527 -0.000 0.000 0.309 454 F C 0.361 175.996 175.800 -0.275 0.000 1.098 454 F CA -0.337 57.514 58.000 -0.248 0.000 0.937 454 F CB 2.079 40.826 39.000 -0.423 0.000 1.250 454 F HN 0.443 nan 8.300 nan 0.000 0.447 455 S N 5.613 120.692 115.700 -1.035 0.000 2.681 455 S HA 0.337 4.807 4.470 -0.000 0.000 0.313 455 S C -1.065 173.147 174.600 -0.645 0.000 1.137 455 S CA -0.252 57.553 58.200 -0.658 0.000 1.045 455 S CB -0.748 62.125 63.200 -0.546 0.000 1.208 455 S HN 0.470 nan 8.310 nan 0.000 0.523 456 Y N 2.879 123.166 120.300 -0.020 0.000 2.377 456 Y HA 0.420 4.970 4.550 -0.000 0.000 0.330 456 Y C 1.508 177.445 175.900 0.062 0.000 1.108 456 Y CA 0.169 58.364 58.100 0.159 0.000 1.308 456 Y CB 0.551 39.143 38.460 0.220 0.000 1.216 456 Y HN 0.720 nan 8.280 nan 0.000 0.518 457 G N 1.075 110.008 108.800 0.221 0.000 2.614 457 G HA2 0.268 4.228 3.960 -0.000 0.000 0.239 457 G HA3 0.268 4.228 3.960 -0.000 0.000 0.239 457 G C 0.872 175.860 174.900 0.146 0.000 1.240 457 G CA -0.071 45.110 45.100 0.136 0.000 0.842 457 G HN 0.915 nan 8.290 nan 0.000 0.584 458 A N 0.530 123.404 122.820 0.091 0.000 2.019 458 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 458 A C 2.411 180.036 177.584 0.068 0.000 1.164 458 A CA 1.913 53.993 52.037 0.072 0.000 0.644 458 A CB -0.306 18.722 19.000 0.047 0.000 0.805 458 A HN 0.581 nan 8.150 nan 0.000 0.449 459 V N -0.462 119.497 119.914 0.076 0.000 2.407 459 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 459 V C 2.443 178.583 176.094 0.078 0.000 1.041 459 V CA 1.874 64.213 62.300 0.066 0.000 1.040 459 V CB -1.019 30.842 31.823 0.063 0.000 0.671 459 V HN 0.615 nan 8.190 nan 0.000 0.455 460 Q N -0.056 119.821 119.800 0.128 0.000 2.224 460 Q HA -0.221 4.119 4.340 -0.000 0.000 0.203 460 Q C 2.208 178.236 176.000 0.046 0.000 0.970 460 Q CA 1.234 57.126 55.803 0.149 0.000 0.865 460 Q CB -0.223 28.725 28.738 0.350 0.000 0.922 460 Q HN 0.669 nan 8.270 nan 0.000 0.445 461 Q N -0.207 119.628 119.800 0.059 0.000 2.508 461 Q HA -0.082 4.258 4.340 -0.000 0.000 0.214 461 Q C 1.878 177.865 176.000 -0.021 0.000 0.979 461 Q CA 0.598 56.393 55.803 -0.012 0.000 0.911 461 Q CB 0.032 28.794 28.738 0.040 0.000 0.969 461 Q HN 0.150 nan 8.270 nan 0.000 0.504 462 S N -0.229 115.473 115.700 0.002 0.000 2.453 462 S HA 0.002 4.472 4.470 -0.000 0.000 0.231 462 S C 0.752 175.343 174.600 -0.015 0.000 1.005 462 S CA 0.123 58.323 58.200 0.000 0.000 0.949 462 S CB 0.272 63.481 63.200 0.015 0.000 0.774 462 S HN 0.154 nan 8.310 nan 0.000 0.510 463 I N 2.679 123.228 120.570 -0.035 0.000 2.396 463 I HA 0.247 4.417 4.170 -0.000 0.000 0.292 463 I C 0.385 176.460 176.117 -0.071 0.000 0.999 463 I CA -0.730 60.544 61.300 -0.042 0.000 1.310 463 I CB 0.798 38.776 38.000 -0.038 0.000 1.404 463 I HN 0.168 nan 8.210 nan 0.000 0.496 464 D N 3.734 124.111 120.400 -0.039 0.000 2.487 464 D HA -0.096 4.544 4.640 -0.000 0.000 0.243 464 D C 1.141 177.405 176.300 -0.060 0.000 1.154 464 D CA 0.397 54.378 54.000 -0.031 0.000 0.876 464 D CB 1.093 41.898 40.800 0.007 0.000 1.161 464 D HN 0.595 nan 8.370 nan 0.000 0.478 465 S N 3.846 119.500 115.700 -0.077 0.000 2.400 465 S HA -0.175 4.295 4.470 -0.000 0.000 0.232 465 S C 1.751 176.326 174.600 -0.042 0.000 1.025 465 S CA 1.055 59.197 58.200 -0.096 0.000 0.993 465 S CB 0.078 63.234 63.200 -0.073 0.000 0.808 465 S HN 0.509 nan 8.310 nan 0.000 0.478 466 R N 0.248 120.738 120.500 -0.017 0.000 2.193 466 R HA 0.055 4.395 4.340 -0.000 0.000 0.229 466 R C 1.894 178.179 176.300 -0.025 0.000 1.110 466 R CA 1.099 57.186 56.100 -0.021 0.000 0.988 466 R CB -0.296 29.984 30.300 -0.033 0.000 0.871 466 R HN 0.439 nan 8.270 nan 0.000 0.458 467 L N 0.256 121.467 121.223 -0.021 0.000 2.418 467 L HA 0.110 4.450 4.340 -0.000 0.000 0.218 467 L C 0.730 177.603 176.870 0.006 0.000 1.125 467 L CA 0.249 55.084 54.840 -0.009 0.000 0.835 467 L CB 0.071 42.125 42.059 -0.008 0.000 0.953 467 L HN 0.065 nan 8.230 nan 0.000 0.454 468 I N 0.181 120.750 120.570 -0.002 0.000 2.353 468 I HA 0.242 4.412 4.170 -0.000 0.000 0.293 468 I C -0.574 175.562 176.117 0.031 0.000 0.992 468 I CA -0.390 60.924 61.300 0.023 0.000 1.268 468 I CB 1.802 39.805 38.000 0.006 0.000 1.387 468 I HN -0.292 nan 8.210 nan 0.000 0.478 469 V N 4.827 124.781 119.914 0.065 0.000 2.656 469 V HA 0.360 4.480 4.120 -0.000 0.000 0.307 469 V C -0.806 175.289 176.094 0.002 0.000 1.051 469 V CA -0.829 61.471 62.300 0.000 0.000 0.893 469 V CB 2.146 33.962 31.823 -0.011 0.000 0.999 469 V HN 0.574 nan 8.190 nan 0.000 0.426 470 D N 2.236 122.563 120.400 -0.122 0.000 2.175 470 D HA 0.500 5.140 4.640 -0.000 0.000 0.248 470 D C -1.059 175.173 176.300 -0.113 0.000 1.047 470 D CA 0.068 54.042 54.000 -0.043 0.000 0.883 470 D CB 1.451 42.232 40.800 -0.031 0.000 1.180 470 D HN 0.443 nan 8.370 nan 0.000 0.438 471 W N 1.352 122.622 121.300 -0.049 0.000 2.600 471 W HA 0.476 5.136 4.660 -0.000 0.000 0.325 471 W C 0.224 176.783 176.519 0.067 0.000 1.034 471 W CA -0.845 56.516 57.345 0.027 0.000 1.226 471 W CB 1.351 30.709 29.460 -0.170 0.000 1.379 471 W HN -0.073 nan 8.180 nan 0.000 0.466 472 R N 2.981 123.728 120.500 0.412 0.000 2.502 472 R HA 0.466 4.806 4.340 -0.000 0.000 0.298 472 R C -1.595 174.912 176.300 0.344 0.000 1.018 472 R CA -0.804 55.438 56.100 0.235 0.000 0.899 472 R CB 1.454 31.883 30.300 0.215 0.000 1.181 472 R HN 0.191 nan 8.270 nan 0.000 0.444 473 F N 3.221 123.044 119.950 -0.210 0.000 2.458 473 F HA 0.508 5.035 4.527 -0.000 0.000 0.336 473 F C -0.321 175.371 175.800 -0.181 0.000 1.114 473 F CA -1.452 56.510 58.000 -0.064 0.000 0.987 473 F CB 1.086 40.010 39.000 -0.126 0.000 1.130 473 F HN 0.286 nan 8.300 nan 0.000 0.458 474 F N 1.253 121.408 119.950 0.341 0.000 2.449 474 F HA 0.664 5.191 4.527 -0.000 0.000 0.342 474 F C 0.637 176.657 175.800 0.367 0.000 1.127 474 F CA -1.189 57.009 58.000 0.331 0.000 0.975 474 F CB 1.462 40.706 39.000 0.406 0.000 1.146 474 F HN 0.512 nan 8.300 nan 0.000 0.444 475 G N 2.075 111.132 108.800 0.429 0.000 2.462 475 G HA2 0.627 4.587 3.960 -0.000 0.000 0.319 475 G HA3 0.627 4.587 3.960 -0.000 0.000 0.319 475 G C -0.848 174.254 174.900 0.338 0.000 1.171 475 G CA -1.080 44.259 45.100 0.397 0.000 0.920 475 G HN 0.713 nan 8.290 nan 0.000 0.499 476 R N -0.658 120.035 120.500 0.323 0.000 2.428 476 R HA 0.644 4.984 4.340 -0.000 0.000 0.294 476 R C -0.977 175.421 176.300 0.164 0.000 1.000 476 R CA -0.541 55.659 56.100 0.166 0.000 0.960 476 R CB 1.234 31.644 30.300 0.183 0.000 1.076 476 R HN 0.265 nan 8.270 nan 0.000 0.475 477 T N 1.895 116.510 114.554 0.101 0.000 2.792 477 T HA 0.125 4.475 4.350 -0.000 0.000 0.280 477 T C -0.727 174.050 174.700 0.128 0.000 0.990 477 T CA -0.609 61.605 62.100 0.190 0.000 0.960 477 T CB 1.380 70.432 68.868 0.307 0.000 0.939 477 T HN 0.614 nan 8.240 nan 0.000 0.439 478 E N 4.163 124.444 120.200 0.136 0.000 2.376 478 E HA 0.112 4.462 4.350 -0.000 0.000 0.266 478 E C -2.177 174.501 176.600 0.130 0.000 1.009 478 E CA -1.709 54.760 56.400 0.116 0.000 0.902 478 E CB 0.530 30.291 29.700 0.102 0.000 0.972 478 E HN 0.206 nan 8.360 nan 0.000 0.439 479 P HA 0.081 nan 4.420 nan 0.000 0.271 479 P C -1.183 176.278 177.300 0.268 0.000 1.233 479 P CA 0.217 63.458 63.100 0.235 0.000 0.764 479 P CB 0.541 32.393 31.700 0.254 0.000 0.825 480 K N 2.743 123.245 120.400 0.170 0.000 2.378 480 K HA 0.167 4.487 4.320 -0.000 0.000 0.252 480 K C 0.966 177.408 176.600 -0.262 0.000 0.931 480 K CA -0.695 55.612 56.287 0.033 0.000 0.794 480 K CB 2.316 34.792 32.500 -0.040 0.000 1.181 480 K HN 0.434 nan 8.250 nan 0.000 0.425 481 E N 2.105 121.992 120.200 -0.520 0.000 2.130 481 E HA -0.230 4.119 4.350 -0.000 0.000 0.196 481 E C 1.074 177.420 176.600 -0.423 0.000 0.998 481 E CA 1.555 57.401 56.400 -0.924 0.000 0.806 481 E CB 0.475 29.857 29.700 -0.529 0.000 0.738 481 E HN 0.547 nan 8.360 nan 0.000 0.459 482 E N 0.411 120.471 120.200 -0.233 0.000 2.347 482 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 482 E C -0.007 176.533 176.600 -0.099 0.000 1.008 482 E CA 0.335 56.652 56.400 -0.138 0.000 0.852 482 E CB -0.265 29.371 29.700 -0.106 0.000 0.783 482 E HN 0.067 nan 8.360 nan 0.000 0.505 483 N N 2.017 120.649 118.700 -0.113 0.000 2.411 483 N HA 0.175 4.915 4.740 -0.000 0.000 0.259 483 N C -0.758 174.816 175.510 0.106 0.000 1.103 483 N CA 0.154 53.195 53.050 -0.014 0.000 0.954 483 N CB 1.060 39.516 38.487 -0.052 0.000 1.085 483 N HN 0.120 nan 8.380 nan 0.000 0.485 484 K N 1.223 121.740 120.400 0.195 0.000 2.469 484 K HA 0.439 4.759 4.320 -0.000 0.000 0.254 484 K C -1.174 175.570 176.600 0.241 0.000 0.939 484 K CA -0.916 55.500 56.287 0.214 0.000 0.812 484 K CB 2.431 35.067 32.500 0.226 0.000 1.301 484 K HN 0.172 nan 8.250 nan 0.000 0.433 485 L N 4.095 125.402 121.223 0.140 0.000 2.298 485 L HA 0.564 4.904 4.340 -0.000 0.000 0.284 485 L C -1.210 175.587 176.870 -0.122 0.000 1.013 485 L CA -0.071 54.674 54.840 -0.158 0.000 0.824 485 L CB 0.455 42.424 42.059 -0.150 0.000 1.221 485 L HN 0.701 nan 8.230 nan 0.000 0.418 486 W N 3.650 124.670 121.300 -0.466 0.000 3.017 486 W HA 0.659 5.319 4.660 -0.000 0.000 0.341 486 W C -2.132 173.963 176.519 -0.708 0.000 1.180 486 W CA -1.202 55.927 57.345 -0.360 0.000 1.097 486 W CB 0.940 30.330 29.460 -0.115 0.000 1.468 486 W HN 0.332 nan 8.180 nan 0.000 0.584 487 F N 1.436 121.592 119.950 0.344 0.000 2.547 487 F HA 0.331 4.858 4.527 -0.000 0.000 0.316 487 F C 0.719 176.693 175.800 0.289 0.000 1.121 487 F CA -0.919 57.157 58.000 0.126 0.000 0.911 487 F CB 2.134 41.180 39.000 0.077 0.000 1.179 487 F HN 0.267 nan 8.300 nan 0.000 0.443 488 S N 1.023 116.889 115.700 0.276 0.000 2.562 488 S HA 0.059 4.529 4.470 -0.000 0.000 0.281 488 S C 0.730 175.486 174.600 0.259 0.000 1.333 488 S CA -0.454 57.937 58.200 0.317 0.000 1.052 488 S CB 0.393 63.678 63.200 0.142 0.000 0.884 488 S HN 0.700 nan 8.310 nan 0.000 0.506 489 D N 2.684 123.220 120.400 0.227 0.000 2.328 489 D HA 0.146 4.786 4.640 -0.000 0.000 0.221 489 D C 0.919 177.283 176.300 0.107 0.000 1.072 489 D CA 0.377 54.462 54.000 0.143 0.000 0.850 489 D CB 0.209 41.074 40.800 0.108 0.000 0.922 489 D HN 0.426 nan 8.370 nan 0.000 0.516 490 K N -0.364 120.104 120.400 0.114 0.000 2.485 490 K HA 0.155 4.475 4.320 -0.000 0.000 0.200 490 K C 0.069 176.715 176.600 0.076 0.000 1.352 490 K CA -0.118 56.220 56.287 0.085 0.000 0.953 490 K CB 1.103 33.652 32.500 0.082 0.000 1.387 490 K HN 0.004 nan 8.250 nan 0.000 0.512 491 I N 3.209 123.828 120.570 0.082 0.000 2.472 491 I HA 0.120 4.290 4.170 -0.000 0.000 0.290 491 I C 0.649 176.805 176.117 0.066 0.000 1.016 491 I CA 0.049 61.386 61.300 0.062 0.000 1.348 491 I CB 1.135 39.159 38.000 0.041 0.000 1.417 491 I HN 0.179 nan 8.210 nan 0.000 0.521 492 T N 1.160 115.748 114.554 0.057 0.000 2.930 492 T HA 0.616 4.966 4.350 -0.000 0.000 0.290 492 T C -0.433 174.304 174.700 0.062 0.000 1.052 492 T CA -0.883 61.257 62.100 0.068 0.000 1.017 492 T CB 2.424 71.328 68.868 0.061 0.000 1.137 492 T HN 0.547 nan 8.240 nan 0.000 0.511 493 D N 0.325 120.778 120.400 0.088 0.000 2.539 493 D HA 0.519 5.159 4.640 -0.000 0.000 0.276 493 D C 1.504 177.845 176.300 0.067 0.000 1.206 493 D CA -0.527 53.531 54.000 0.096 0.000 1.081 493 D CB 0.138 41.034 40.800 0.160 0.000 1.142 493 D HN 0.658 nan 8.370 nan 0.000 0.595 494 A N -1.440 121.410 122.820 0.051 0.000 2.121 494 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 494 A C 1.073 178.476 177.584 -0.301 0.000 1.154 494 A CA 0.755 52.724 52.037 -0.112 0.000 0.679 494 A CB -0.924 17.986 19.000 -0.150 0.000 0.795 494 A HN 0.537 nan 8.150 nan 0.000 0.458 495 Y N -1.008 119.313 120.300 0.035 0.000 2.607 495 Y HA 0.223 4.773 4.550 -0.000 0.000 0.266 495 Y C 0.632 176.561 175.900 0.048 0.000 1.178 495 Y CA -0.231 57.891 58.100 0.037 0.000 1.226 495 Y CB -0.438 38.027 38.460 0.009 0.000 1.144 495 Y HN 0.453 nan 8.280 nan 0.000 0.528 496 N N 0.036 118.804 118.700 0.112 0.000 2.735 496 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 496 N C -0.709 174.856 175.510 0.093 0.000 1.083 496 N CA 0.457 53.557 53.050 0.083 0.000 0.703 496 N CB -0.459 38.065 38.487 0.060 0.000 1.005 496 N HN 0.148 nan 8.380 nan 0.000 0.550 497 M N -0.342 119.330 119.600 0.120 0.000 2.644 497 M HA 0.420 4.900 4.480 -0.000 0.000 0.316 497 M C -2.182 174.185 176.300 0.111 0.000 1.200 497 M CA -2.029 53.329 55.300 0.098 0.000 0.944 497 M CB 0.830 33.492 32.600 0.103 0.000 1.691 497 M HN -0.276 nan 8.290 nan 0.000 0.471 498 P HA -0.036 nan 4.420 nan 0.000 0.261 498 P C -0.612 176.842 177.300 0.257 0.000 1.183 498 P CA 0.189 63.385 63.100 0.161 0.000 0.761 498 P CB 0.218 32.012 31.700 0.157 0.000 0.785 499 Q N 7.277 127.177 119.800 0.166 0.000 2.271 499 Q HA 0.145 4.485 4.340 -0.000 0.000 0.273 499 Q C -2.250 173.725 176.000 -0.041 0.000 1.051 499 Q CA -1.920 53.931 55.803 0.080 0.000 0.901 499 Q CB -0.245 28.491 28.738 -0.003 0.000 1.174 499 Q HN 0.287 nan 8.270 nan 0.000 0.385 500 P HA 0.107 nan 4.420 nan 0.000 0.271 500 P C -1.035 175.770 177.300 -0.825 0.000 1.216 500 P CA -0.112 62.561 63.100 -0.711 0.000 0.776 500 P CB 0.992 32.346 31.700 -0.576 0.000 0.881 501 T N 3.023 116.861 114.554 -1.195 0.000 2.921 501 T HA 0.494 4.844 4.350 -0.000 0.000 0.297 501 T C -0.609 173.403 174.700 -1.145 0.000 1.013 501 T CA -0.100 61.294 62.100 -1.176 0.000 0.990 501 T CB 0.425 68.237 68.868 -1.759 0.000 1.023 501 T HN 0.045 nan 8.240 nan 0.000 0.447 502 F N 1.958 121.622 119.950 -0.477 0.000 2.397 502 F HA 0.542 5.069 4.527 -0.000 0.000 0.331 502 F C 0.693 176.433 175.800 -0.100 0.000 1.090 502 F CA -0.934 56.912 58.000 -0.256 0.000 1.065 502 F CB 1.102 40.003 39.000 -0.164 0.000 1.184 502 F HN 0.388 nan 8.300 nan 0.000 0.499 503 D N 3.018 123.583 120.400 0.276 0.000 2.375 503 D HA 0.207 4.847 4.640 -0.000 0.000 0.259 503 D C -1.786 174.647 176.300 0.222 0.000 1.235 503 D CA -0.083 54.065 54.000 0.246 0.000 0.924 503 D CB 0.350 41.326 40.800 0.294 0.000 1.143 503 D HN 0.290 nan 8.370 nan 0.000 0.529 504 F N 3.176 123.120 119.950 -0.010 0.000 2.569 504 F HA 0.617 5.144 4.527 -0.000 0.000 0.312 504 F C -1.027 174.670 175.800 -0.171 0.000 1.109 504 F CA -0.597 57.330 58.000 -0.122 0.000 0.919 504 F CB 1.368 40.225 39.000 -0.238 0.000 1.211 504 F HN 0.012 nan 8.300 nan 0.000 0.446 505 R N 4.129 124.070 120.500 -0.932 0.000 2.698 505 R HA 0.347 4.687 4.340 -0.000 0.000 0.275 505 R C -1.686 173.974 176.300 -1.066 0.000 1.001 505 R CA -1.001 54.685 56.100 -0.689 0.000 0.896 505 R CB 1.610 31.729 30.300 -0.303 0.000 1.218 505 R HN 0.586 nan 8.270 nan 0.000 0.462 506 F N 2.981 122.703 119.950 -0.380 0.000 2.543 506 F HA 0.192 4.719 4.527 -0.000 0.000 0.375 506 F C -1.267 174.409 175.800 -0.206 0.000 1.075 506 F CA -1.141 56.728 58.000 -0.218 0.000 1.225 506 F CB -0.056 38.940 39.000 -0.007 0.000 1.099 506 F HN 0.123 nan 8.300 nan 0.000 0.561 507 P HA 0.109 nan 4.420 nan 0.000 0.266 507 P C -0.520 176.793 177.300 0.022 0.000 1.195 507 P CA -0.206 62.873 63.100 -0.036 0.000 0.768 507 P CB 0.508 32.203 31.700 -0.009 0.000 0.838 508 A N 2.814 125.634 122.820 -0.000 0.000 2.475 508 A HA 0.498 4.818 4.320 -0.000 0.000 0.239 508 A C 1.131 178.730 177.584 0.025 0.000 1.087 508 A CA 0.941 52.984 52.037 0.010 0.000 0.779 508 A CB -1.073 17.925 19.000 -0.002 0.000 1.036 508 A HN 0.857 nan 8.150 nan 0.000 0.506 509 G N 0.011 108.828 108.800 0.028 0.000 2.481 509 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.230 509 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.230 509 G C 0.977 175.909 174.900 0.054 0.000 1.210 509 G CA 0.678 45.801 45.100 0.038 0.000 0.936 509 G HN 1.032 nan 8.290 nan 0.000 0.583 510 R N -0.193 120.345 120.500 0.064 0.000 2.103 510 R HA -0.120 4.220 4.340 -0.000 0.000 0.242 510 R C 2.809 179.170 176.300 0.102 0.000 1.142 510 R CA 2.874 59.023 56.100 0.081 0.000 0.960 510 R CB -1.004 29.346 30.300 0.084 0.000 0.858 510 R HN 0.657 nan 8.270 nan 0.000 0.439 511 T N 0.109 114.727 114.554 0.107 0.000 2.635 511 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 511 T C 1.961 176.721 174.700 0.100 0.000 1.040 511 T CA 1.973 64.152 62.100 0.132 0.000 1.156 511 T CB -0.255 68.712 68.868 0.165 0.000 0.863 511 T HN 0.289 nan 8.240 nan 0.000 0.430 512 S N 0.413 116.154 115.700 0.068 0.000 2.371 512 S HA -0.025 4.445 4.470 -0.000 0.000 0.224 512 S C 2.031 176.646 174.600 0.025 0.000 1.029 512 S CA 0.906 59.117 58.200 0.019 0.000 0.978 512 S CB -0.200 63.004 63.200 0.008 0.000 0.833 512 S HN 0.459 nan 8.310 nan 0.000 0.466 513 K N 1.275 121.705 120.400 0.050 0.000 2.032 513 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 513 K C 1.924 178.582 176.600 0.097 0.000 1.048 513 K CA 1.466 57.791 56.287 0.062 0.000 0.927 513 K CB -0.145 32.396 32.500 0.068 0.000 0.712 513 K HN 0.370 nan 8.250 nan 0.000 0.441 514 E N -0.239 120.045 120.200 0.139 0.000 2.153 514 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 514 E C 1.899 178.592 176.600 0.154 0.000 0.988 514 E CA 0.926 57.465 56.400 0.232 0.000 0.811 514 E CB -0.056 29.810 29.700 0.277 0.000 0.746 514 E HN 0.427 nan 8.360 nan 0.000 0.466 515 A N 1.300 124.182 122.820 0.102 0.000 1.898 515 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 515 A C 2.064 179.717 177.584 0.115 0.000 1.181 515 A CA 1.626 53.721 52.037 0.097 0.000 0.620 515 A CB -0.294 18.729 19.000 0.038 0.000 0.819 515 A HN 0.120 nan 8.150 nan 0.000 0.442 516 E N 0.602 120.856 120.200 0.090 0.000 2.107 516 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 516 E C 1.240 177.819 176.600 -0.035 0.000 0.982 516 E CA 1.504 57.956 56.400 0.086 0.000 0.809 516 E CB -0.289 29.437 29.700 0.044 0.000 0.756 516 E HN 0.501 nan 8.360 nan 0.000 0.459 517 D N -0.094 120.281 120.400 -0.043 0.000 2.178 517 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 517 D C 1.897 177.933 176.300 -0.441 0.000 0.980 517 D CA 1.125 55.077 54.000 -0.080 0.000 0.842 517 D CB -0.316 40.563 40.800 0.133 0.000 0.948 517 D HN 0.339 nan 8.370 nan 0.000 0.472 518 M N -0.169 118.971 119.600 -0.766 0.000 2.086 518 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 518 M C 2.083 177.952 176.300 -0.718 0.000 1.067 518 M CA 1.244 55.729 55.300 -1.358 0.000 1.116 518 M CB -0.021 31.983 32.600 -0.993 0.000 1.348 518 M HN -0.037 nan 8.290 nan 0.000 0.407 519 M N 0.582 119.882 119.600 -0.499 0.000 2.082 519 M HA -0.179 4.301 4.480 -0.000 0.000 0.258 519 M C 1.772 177.851 176.300 -0.368 0.000 1.069 519 M CA 2.533 57.543 55.300 -0.483 0.000 1.102 519 M CB -1.050 31.330 32.600 -0.367 0.000 1.336 519 M HN 0.285 nan 8.290 nan 0.000 0.404 520 T N -0.059 114.346 114.554 -0.248 0.000 2.788 520 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 520 T C 1.463 176.085 174.700 -0.130 0.000 1.044 520 T CA 1.778 63.789 62.100 -0.148 0.000 1.139 520 T CB -0.575 68.250 68.868 -0.072 0.000 0.867 520 T HN 0.568 nan 8.240 nan 0.000 0.454 521 D N 0.526 120.838 120.400 -0.146 0.000 2.144 521 D HA -0.052 4.588 4.640 -0.000 0.000 0.199 521 D C 2.061 178.355 176.300 -0.010 0.000 0.984 521 D CA 0.813 54.840 54.000 0.045 0.000 0.834 521 D CB -0.199 40.728 40.800 0.210 0.000 0.955 521 D HN 0.296 nan 8.370 nan 0.000 0.465 522 M N -0.495 118.859 119.600 -0.410 0.000 2.132 522 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 522 M C 1.878 177.887 176.300 -0.484 0.000 1.065 522 M CA 1.278 56.070 55.300 -0.846 0.000 1.122 522 M CB -0.144 31.656 32.600 -1.334 0.000 1.365 522 M HN 0.187 nan 8.290 nan 0.000 0.411 523 C N -0.254 118.861 119.300 -0.308 0.000 2.429 523 C HA -0.105 4.355 4.460 -0.000 0.000 0.277 523 C C 2.670 177.568 174.990 -0.154 0.000 1.262 523 C CA 0.822 59.768 59.018 -0.121 0.000 1.733 523 C CB -1.019 26.704 27.740 -0.029 0.000 2.010 523 C HN 0.498 nan 8.230 nan 0.000 0.483 524 V N 0.415 120.267 119.914 -0.103 0.000 2.323 524 V HA -0.261 3.859 4.120 -0.000 0.000 0.244 524 V C 2.407 178.479 176.094 -0.038 0.000 1.041 524 V CA 2.139 64.409 62.300 -0.050 0.000 1.025 524 V CB -0.646 31.199 31.823 0.036 0.000 0.656 524 V HN 0.567 nan 8.190 nan 0.000 0.451 525 M N 0.752 120.374 119.600 0.035 0.000 2.099 525 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 525 M C 2.514 178.690 176.300 -0.205 0.000 1.067 525 M CA 2.363 57.752 55.300 0.148 0.000 1.124 525 M CB -0.217 32.636 32.600 0.422 0.000 1.353 525 M HN 0.560 nan 8.290 nan 0.000 0.410 526 S N 0.578 115.828 115.700 -0.750 0.000 2.400 526 S HA -0.096 4.374 4.470 -0.000 0.000 0.232 526 S C 1.970 176.179 174.600 -0.653 0.000 1.025 526 S CA 1.078 58.431 58.200 -1.411 0.000 0.993 526 S CB -0.904 61.240 63.200 -1.760 0.000 0.808 526 S HN 0.576 nan 8.310 nan 0.000 0.478 527 A N 2.091 124.628 122.820 -0.471 0.000 2.070 527 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 527 A C 2.172 179.629 177.584 -0.211 0.000 1.159 527 A CA 1.407 53.225 52.037 -0.365 0.000 0.656 527 A CB -0.566 18.239 19.000 -0.325 0.000 0.800 527 A HN 0.649 nan 8.150 nan 0.000 0.453 528 K N -0.692 119.627 120.400 -0.135 0.000 2.362 528 K HA 0.010 4.330 4.320 -0.000 0.000 0.200 528 K C 1.158 177.754 176.600 -0.007 0.000 1.046 528 K CA 0.786 57.042 56.287 -0.051 0.000 0.952 528 K CB -0.024 32.482 32.500 0.010 0.000 0.753 528 K HN 0.415 nan 8.250 nan 0.000 0.466 529 I N -0.753 119.827 120.570 0.016 0.000 3.172 529 I HA 0.147 4.317 4.170 -0.000 0.000 0.278 529 I C 1.142 177.276 176.117 0.028 0.000 1.174 529 I CA 0.606 61.967 61.300 0.101 0.000 1.445 529 I CB 0.046 38.263 38.000 0.361 0.000 1.175 529 I HN 0.114 nan 8.210 nan 0.000 0.447 530 G N -0.643 108.118 108.800 -0.064 0.000 2.349 530 G HA2 0.455 4.415 3.960 -0.000 0.000 0.294 530 G HA3 0.455 4.415 3.960 -0.000 0.000 0.294 530 G C -0.729 174.027 174.900 -0.240 0.000 1.380 530 G CA -0.145 44.893 45.100 -0.104 0.000 0.811 530 G HN 0.282 nan 8.290 nan 0.000 0.519 531 G N -1.169 107.490 108.800 -0.236 0.000 2.562 531 G HA2 0.571 4.530 3.960 -0.000 0.000 0.275 531 G HA3 0.571 4.530 3.960 -0.000 0.000 0.275 531 G C -0.297 174.425 174.900 -0.297 0.000 1.196 531 G CA -0.557 44.312 45.100 -0.385 0.000 0.908 531 G HN 0.445 nan 8.290 nan 0.000 0.524 532 F N -0.729 119.125 119.950 -0.159 0.000 2.553 532 F HA 0.212 4.739 4.527 -0.000 0.000 0.356 532 F C 0.683 176.421 175.800 -0.103 0.000 1.142 532 F CA -0.733 57.166 58.000 -0.168 0.000 1.322 532 F CB 0.622 39.513 39.000 -0.183 0.000 1.126 532 F HN 0.174 nan 8.300 nan 0.000 0.599 533 L N 5.718 127.013 121.223 0.119 0.000 2.281 533 L HA 0.460 4.800 4.340 -0.000 0.000 0.285 533 L C -2.475 174.440 176.870 0.074 0.000 1.074 533 L CA -2.073 52.811 54.840 0.074 0.000 0.817 533 L CB 0.268 42.365 42.059 0.065 0.000 1.168 533 L HN 0.267 nan 8.230 nan 0.000 0.434 534 P HA 0.209 nan 4.420 nan 0.000 0.264 534 P C 0.629 177.976 177.300 0.078 0.000 1.183 534 P CA 0.998 64.136 63.100 0.062 0.000 0.763 534 P CB 0.688 32.420 31.700 0.054 0.000 0.807 535 G N 2.015 110.855 108.800 0.067 0.000 2.225 535 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 535 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 535 G C 0.441 175.419 174.900 0.129 0.000 0.988 535 G CA 0.237 45.396 45.100 0.099 0.000 0.625 535 G HN 0.530 nan 8.290 nan 0.000 0.527 536 S N 0.837 116.580 115.700 0.072 0.000 2.474 536 S HA 0.537 5.007 4.470 -0.000 0.000 0.224 536 S C 0.391 174.878 174.600 -0.189 0.000 1.209 536 S CA -0.552 57.663 58.200 0.026 0.000 1.212 536 S CB 0.312 63.489 63.200 -0.037 0.000 1.137 536 S HN 0.462 nan 8.310 nan 0.000 0.446 537 L N 2.485 123.595 121.223 -0.187 0.000 2.453 537 L HA 0.393 4.733 4.340 -0.000 0.000 0.261 537 L C -2.092 174.470 176.870 -0.513 0.000 1.179 537 L CA -2.349 52.243 54.840 -0.413 0.000 0.813 537 L CB 0.057 41.947 42.059 -0.280 0.000 1.110 537 L HN 0.084 nan 8.230 nan 0.000 0.466 538 P HA 0.021 nan 4.420 nan 0.000 0.264 538 P C -1.432 175.631 177.300 -0.395 0.000 1.193 538 P CA 0.080 62.781 63.100 -0.664 0.000 0.763 538 P CB 0.491 31.703 31.700 -0.813 0.000 0.810 539 Q N 1.580 121.194 119.800 -0.309 0.000 2.472 539 Q HA 0.482 4.822 4.340 -0.000 0.000 0.281 539 Q C -1.420 174.453 176.000 -0.211 0.000 0.997 539 Q CA -0.880 54.830 55.803 -0.155 0.000 0.828 539 Q CB 0.688 29.410 28.738 -0.026 0.000 1.443 539 Q HN 0.100 nan 8.270 nan 0.000 0.390 540 F N 1.635 121.529 119.950 -0.094 0.000 2.443 540 F HA 0.313 4.840 4.527 -0.000 0.000 0.353 540 F C 0.789 176.558 175.800 -0.052 0.000 1.101 540 F CA -0.307 57.638 58.000 -0.091 0.000 1.226 540 F CB 0.946 39.880 39.000 -0.110 0.000 1.140 540 F HN 0.351 nan 8.300 nan 0.000 0.557 541 M N 1.829 121.482 119.600 0.090 0.000 2.228 541 M HA 0.097 4.577 4.480 -0.000 0.000 0.326 541 M C 0.330 176.675 176.300 0.075 0.000 1.122 541 M CA -0.278 55.047 55.300 0.041 0.000 1.161 541 M CB 0.649 33.230 32.600 -0.032 0.000 1.437 541 M HN 0.610 nan 8.290 nan 0.000 0.465 542 E N 3.046 123.265 120.200 0.031 0.000 2.608 542 E HA -0.000 4.350 4.350 -0.000 0.000 0.259 542 E C -2.180 174.444 176.600 0.040 0.000 0.951 542 E CA -1.205 55.212 56.400 0.028 0.000 0.945 542 E CB 0.320 30.012 29.700 -0.014 0.000 0.916 542 E HN 0.191 nan 8.360 nan 0.000 0.477 543 P HA 0.024 nan 4.420 nan 0.000 0.262 543 P C 0.341 177.584 177.300 -0.095 0.000 1.199 543 P CA 1.165 64.316 63.100 0.085 0.000 0.763 543 P CB 0.664 32.404 31.700 0.065 0.000 0.790 544 G N 2.659 111.404 108.800 -0.092 0.000 2.213 544 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.236 544 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.236 544 G C 0.746 175.601 174.900 -0.076 0.000 0.991 544 G CA 0.164 45.167 45.100 -0.162 0.000 0.629 544 G HN 0.525 nan 8.290 nan 0.000 0.517 545 L N 1.220 122.415 121.223 -0.048 0.000 2.187 545 L HA 0.160 4.500 4.340 -0.000 0.000 0.213 545 L C 2.813 179.668 176.870 -0.026 0.000 1.100 545 L CA 2.497 57.313 54.840 -0.040 0.000 0.765 545 L CB -0.378 41.651 42.059 -0.051 0.000 0.904 545 L HN 0.531 nan 8.230 nan 0.000 0.437 546 V N 0.127 120.031 119.914 -0.016 0.000 2.568 546 V HA -0.203 3.917 4.120 -0.000 0.000 0.253 546 V C 1.513 177.526 176.094 -0.134 0.000 1.072 546 V CA 1.231 63.511 62.300 -0.034 0.000 1.084 546 V CB -0.437 31.419 31.823 0.054 0.000 0.676 546 V HN 0.507 nan 8.190 nan 0.000 0.469 547 L N 0.401 121.610 121.223 -0.023 0.000 3.762 547 L HA -0.256 4.084 4.340 -0.000 0.000 0.460 547 L C 0.265 177.253 176.870 0.195 0.000 1.255 547 L CA 1.014 55.895 54.840 0.067 0.000 0.783 547 L CB -2.499 39.629 42.059 0.115 0.000 1.600 547 L HN 0.573 nan 8.230 nan 0.000 0.862 548 H N -0.587 118.598 119.070 0.192 0.000 2.502 548 H HA 0.318 4.874 4.556 -0.000 0.000 0.268 548 H C 0.405 175.875 175.328 0.237 0.000 1.177 548 H CA -1.186 55.016 56.048 0.255 0.000 0.961 548 H CB 0.687 30.654 29.762 0.342 0.000 1.737 548 H HN 0.223 nan 8.280 nan 0.000 0.569 549 L N 2.082 123.450 121.223 0.242 0.000 2.559 549 L HA 0.155 4.495 4.340 -0.000 0.000 0.274 549 L C 0.668 177.668 176.870 0.217 0.000 1.205 549 L CA 0.747 55.678 54.840 0.152 0.000 0.907 549 L CB 0.166 42.284 42.059 0.098 0.000 1.153 549 L HN 0.353 nan 8.230 nan 0.000 0.490 550 G N 2.076 111.015 108.800 0.231 0.000 2.714 550 G HA2 0.533 4.493 3.960 -0.000 0.000 0.292 550 G HA3 0.533 4.493 3.960 -0.000 0.000 0.292 550 G C 0.423 175.424 174.900 0.170 0.000 1.308 550 G CA -0.311 44.951 45.100 0.270 0.000 0.964 550 G HN 1.284 nan 8.290 nan 0.000 0.484 551 G N -1.286 107.589 108.800 0.124 0.000 2.189 551 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 551 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 551 G C 1.379 176.340 174.900 0.101 0.000 0.975 551 G CA 1.756 46.930 45.100 0.123 0.000 0.644 551 G HN 1.831 nan 8.290 nan 0.000 0.537 552 T N -1.993 112.576 114.554 0.025 0.000 2.995 552 T HA 0.118 4.468 4.350 -0.000 0.000 0.269 552 T C 1.115 175.908 174.700 0.154 0.000 1.091 552 T CA 1.847 64.009 62.100 0.103 0.000 1.128 552 T CB -0.268 68.671 68.868 0.119 0.000 0.891 552 T HN 1.458 nan 8.240 nan 0.000 0.492 553 H N -0.061 119.081 119.070 0.120 0.000 2.712 553 H HA 0.473 5.029 4.556 -0.000 0.000 0.226 553 H C -0.043 175.325 175.328 0.065 0.000 1.422 553 H CA -1.362 54.731 56.048 0.075 0.000 1.270 553 H CB -0.288 29.484 29.762 0.017 0.000 1.891 553 H HN 0.348 nan 8.280 nan 0.000 0.518 554 R N 0.673 121.257 120.500 0.139 0.000 2.679 554 R HA 0.297 4.637 4.340 -0.000 0.000 0.269 554 R C -0.296 176.060 176.300 0.093 0.000 1.076 554 R CA -0.716 55.437 56.100 0.088 0.000 1.160 554 R CB 0.948 31.293 30.300 0.075 0.000 1.054 554 R HN 0.485 nan 8.270 nan 0.000 0.507 555 M N 1.048 120.678 119.600 0.049 0.000 2.314 555 M HA 0.491 4.971 4.480 -0.000 0.000 0.342 555 M C -0.592 175.703 176.300 -0.008 0.000 1.171 555 M CA 0.110 55.414 55.300 0.006 0.000 1.098 555 M CB 1.764 34.343 32.600 -0.034 0.000 1.559 555 M HN 0.932 nan 8.290 nan 0.000 0.459 556 G N 1.963 110.766 108.800 0.004 0.000 2.559 556 G HA2 0.407 4.367 3.960 -0.000 0.000 0.291 556 G HA3 0.407 4.367 3.960 -0.000 0.000 0.291 556 G C -0.945 173.965 174.900 0.017 0.000 1.424 556 G CA -0.705 44.361 45.100 -0.056 0.000 0.786 556 G HN 0.689 nan 8.290 nan 0.000 0.485 557 F N -0.042 120.015 119.950 0.180 0.000 2.234 557 F HA 0.238 4.765 4.527 -0.000 0.000 0.296 557 F C 1.163 177.101 175.800 0.230 0.000 1.089 557 F CA 1.168 59.278 58.000 0.183 0.000 1.343 557 F CB 0.366 39.428 39.000 0.102 0.000 1.040 557 F HN 0.413 nan 8.300 nan 0.000 0.498 558 D N -1.026 119.545 120.400 0.286 0.000 2.757 558 D HA 0.129 4.769 4.640 -0.000 0.000 0.249 558 D C 0.727 176.855 176.300 -0.286 0.000 1.168 558 D CA -0.264 53.734 54.000 -0.003 0.000 0.870 558 D CB 1.308 42.127 40.800 0.031 0.000 1.411 558 D HN 0.076 nan 8.370 nan 0.000 0.525 559 E N 3.171 122.830 120.200 -0.901 0.000 2.049 559 E HA -0.293 4.057 4.350 -0.000 0.000 0.198 559 E C 1.363 177.774 176.600 -0.314 0.000 1.007 559 E CA 1.345 57.200 56.400 -0.908 0.000 0.809 559 E CB 0.254 29.297 29.700 -1.095 0.000 0.749 559 E HN 0.462 nan 8.360 nan 0.000 0.450 560 K N 0.100 120.367 120.400 -0.222 0.000 2.067 560 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 560 K C 1.989 178.557 176.600 -0.053 0.000 1.048 560 K CA 1.272 57.501 56.287 -0.097 0.000 0.954 560 K CB 0.068 32.526 32.500 -0.071 0.000 0.737 560 K HN 0.071 nan 8.250 nan 0.000 0.444 561 E N 0.232 120.404 120.200 -0.047 0.000 2.150 561 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 561 E C 0.690 177.291 176.600 0.001 0.000 0.985 561 E CA 1.003 57.399 56.400 -0.006 0.000 0.814 561 E CB 0.222 29.930 29.700 0.014 0.000 0.752 561 E HN 0.346 nan 8.360 nan 0.000 0.466 562 D N -0.102 120.292 120.400 -0.011 0.000 2.398 562 D HA 0.055 4.695 4.640 -0.000 0.000 0.210 562 D C -0.670 175.575 176.300 -0.093 0.000 1.094 562 D CA -0.004 53.987 54.000 -0.014 0.000 0.839 562 D CB 0.209 41.038 40.800 0.048 0.000 0.963 562 D HN 0.057 nan 8.370 nan 0.000 0.506 563 N N 0.646 119.291 118.700 -0.091 0.000 2.671 563 N HA -0.185 4.555 4.740 -0.000 0.000 0.261 563 N C -0.336 175.106 175.510 -0.113 0.000 1.053 563 N CA 0.641 53.620 53.050 -0.119 0.000 0.732 563 N CB -1.533 36.790 38.487 -0.272 0.000 0.887 563 N HN 0.397 nan 8.380 nan 0.000 0.546 564 C N -3.280 116.033 119.300 0.021 0.000 3.285 564 C HA 0.783 5.243 4.460 -0.000 0.000 0.320 564 C C 1.287 176.471 174.990 0.324 0.000 1.411 564 C CA -0.645 58.460 59.018 0.145 0.000 1.429 564 C CB 1.561 29.406 27.740 0.175 0.000 1.812 564 C HN 0.505 nan 8.230 nan 0.000 0.454 565 C N 0.265 119.779 119.300 0.357 0.000 2.937 565 C HA 0.507 4.967 4.460 -0.000 0.000 0.426 565 C C 0.688 175.769 174.990 0.153 0.000 1.321 565 C CA 0.698 59.910 59.018 0.323 0.000 2.082 565 C CB -0.186 27.664 27.740 0.184 0.000 2.834 565 C HN 0.984 nan 8.230 nan 0.000 0.593 566 V N 1.296 121.172 119.914 -0.064 0.000 2.914 566 V HA 0.708 4.828 4.120 -0.000 0.000 0.314 566 V C -0.771 174.932 176.094 -0.653 0.000 1.084 566 V CA -0.645 61.358 62.300 -0.495 0.000 0.963 566 V CB 1.554 33.232 31.823 -0.242 0.000 1.025 566 V HN 0.414 nan 8.190 nan 0.000 0.432 567 N N 0.902 119.072 118.700 -0.885 0.000 2.431 567 N HA 0.253 4.993 4.740 -0.000 0.000 0.289 567 N C 1.062 176.421 175.510 -0.250 0.000 1.277 567 N CA 0.263 53.025 53.050 -0.479 0.000 0.972 567 N CB -0.105 38.144 38.487 -0.396 0.000 1.143 567 N HN 0.940 nan 8.380 nan 0.000 0.578 568 T N -4.623 109.835 114.554 -0.160 0.000 3.113 568 T HA -0.002 4.348 4.350 -0.000 0.000 0.263 568 T C 0.138 174.757 174.700 -0.136 0.000 1.143 568 T CA 0.681 62.688 62.100 -0.155 0.000 1.090 568 T CB -0.390 68.410 68.868 -0.112 0.000 0.922 568 T HN 0.451 nan 8.240 nan 0.000 0.521 569 D N 1.124 121.435 120.400 -0.149 0.000 2.328 569 D HA 0.175 4.815 4.640 -0.000 0.000 0.221 569 D C 0.490 176.783 176.300 -0.011 0.000 1.072 569 D CA 0.118 54.046 54.000 -0.120 0.000 0.850 569 D CB 0.102 40.717 40.800 -0.309 0.000 0.922 569 D HN 0.340 nan 8.370 nan 0.000 0.516 570 S N 0.332 115.996 115.700 -0.060 0.000 3.561 570 S HA -0.255 4.215 4.470 -0.000 0.000 0.318 570 S C 0.509 175.101 174.600 -0.013 0.000 1.181 570 S CA 0.485 58.686 58.200 0.000 0.000 0.916 570 S CB -1.370 61.905 63.200 0.126 0.000 0.966 570 S HN 0.477 nan 8.310 nan 0.000 0.550 571 R N 0.911 121.273 120.500 -0.230 0.000 2.368 571 R HA 0.527 4.867 4.340 -0.000 0.000 0.302 571 R C -0.115 175.868 176.300 -0.527 0.000 1.002 571 R CA -0.514 55.263 56.100 -0.537 0.000 0.929 571 R CB 0.800 30.744 30.300 -0.594 0.000 1.073 571 R HN 0.125 nan 8.270 nan 0.000 0.464 572 V N 5.818 125.455 119.914 -0.462 0.000 2.521 572 V HA 0.052 4.172 4.120 -0.000 0.000 0.286 572 V C 0.129 176.158 176.094 -0.109 0.000 1.034 572 V CA 0.117 62.235 62.300 -0.304 0.000 1.045 572 V CB 0.027 31.657 31.823 -0.321 0.000 0.974 572 V HN 0.573 nan 8.190 nan 0.000 0.480 573 F N 3.705 123.692 119.950 0.061 0.000 2.607 573 F HA 0.405 4.932 4.527 -0.000 0.000 0.374 573 F C 1.575 177.502 175.800 0.210 0.000 1.104 573 F CA 1.572 59.633 58.000 0.101 0.000 1.296 573 F CB 0.076 39.131 39.000 0.092 0.000 1.085 573 F HN 0.785 nan 8.300 nan 0.000 0.584 574 G N 2.048 111.033 108.800 0.309 0.000 2.268 574 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.240 574 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.240 574 G C -0.093 174.748 174.900 -0.100 0.000 1.010 574 G CA -0.443 44.727 45.100 0.118 0.000 0.618 574 G HN 0.431 nan 8.290 nan 0.000 0.516 575 F N 1.094 121.068 119.950 0.040 0.000 2.436 575 F HA 0.622 5.149 4.527 -0.000 0.000 0.340 575 F C 1.363 177.144 175.800 -0.031 0.000 1.113 575 F CA -0.909 57.096 58.000 0.008 0.000 1.022 575 F CB 1.703 40.705 39.000 0.003 0.000 1.128 575 F HN -0.229 nan 8.300 nan 0.000 0.466 576 K N 1.677 122.165 120.400 0.147 0.000 2.217 576 K HA -0.040 4.280 4.320 -0.000 0.000 0.202 576 K C 0.654 177.452 176.600 0.331 0.000 1.051 576 K CA 0.932 57.346 56.287 0.212 0.000 0.952 576 K CB 0.037 32.672 32.500 0.226 0.000 0.736 576 K HN 0.673 nan 8.250 nan 0.000 0.453 577 N N -0.015 118.835 118.700 0.249 0.000 2.387 577 N HA 0.033 4.773 4.740 -0.000 0.000 0.259 577 N C -0.705 174.880 175.510 0.126 0.000 1.369 577 N CA -0.331 52.910 53.050 0.319 0.000 0.867 577 N CB -0.130 38.614 38.487 0.427 0.000 1.341 577 N HN -0.069 nan 8.380 nan 0.000 0.495 578 L N 0.541 121.610 121.223 -0.256 0.000 2.356 578 L HA 0.720 5.060 4.340 -0.000 0.000 0.277 578 L C -1.820 174.634 176.870 -0.692 0.000 0.996 578 L CA -0.560 54.115 54.840 -0.275 0.000 0.822 578 L CB 0.973 42.883 42.059 -0.249 0.000 1.256 578 L HN -0.038 nan 8.230 nan 0.000 0.413 579 F N 4.798 124.659 119.950 -0.148 0.000 2.563 579 F HA 0.657 5.184 4.527 -0.000 0.000 0.316 579 F C -0.602 175.039 175.800 -0.264 0.000 1.076 579 F CA -0.713 57.178 58.000 -0.183 0.000 0.921 579 F CB 1.871 40.789 39.000 -0.137 0.000 1.209 579 F HN 0.192 nan 8.300 nan 0.000 0.462 580 L N 1.940 123.116 121.223 -0.079 0.000 2.346 580 L HA 0.843 5.183 4.340 -0.000 0.000 0.276 580 L C 0.107 176.981 176.870 0.006 0.000 1.006 580 L CA -0.778 53.947 54.840 -0.192 0.000 0.817 580 L CB 1.767 43.565 42.059 -0.436 0.000 1.272 580 L HN 0.788 nan 8.230 nan 0.000 0.421 581 G N 0.501 109.320 108.800 0.032 0.000 2.481 581 G HA2 0.809 4.769 3.960 -0.000 0.000 0.315 581 G HA3 0.809 4.769 3.960 -0.000 0.000 0.315 581 G C -0.464 174.557 174.900 0.201 0.000 1.231 581 G CA -0.322 44.900 45.100 0.203 0.000 0.968 581 G HN 0.953 nan 8.290 nan 0.000 0.482 582 G N -1.438 107.470 108.800 0.181 0.000 2.353 582 G HA2 0.083 4.043 3.960 -0.000 0.000 0.424 582 G HA3 0.083 4.043 3.960 -0.000 0.000 0.424 582 G C 0.703 175.652 174.900 0.081 0.000 1.320 582 G CA 0.026 45.209 45.100 0.139 0.000 0.995 582 G HN 1.146 nan 8.290 nan 0.000 0.580 583 C N 0.516 119.843 119.300 0.045 0.000 2.419 583 C HA 0.186 4.646 4.460 -0.000 0.000 0.283 583 C C 2.994 177.961 174.990 -0.038 0.000 1.373 583 C CA 1.755 60.781 59.018 0.013 0.000 1.781 583 C CB -1.324 26.460 27.740 0.074 0.000 1.886 583 C HN 1.254 nan 8.230 nan 0.000 0.520 584 G N 1.141 109.819 108.800 -0.202 0.000 2.470 584 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 584 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 584 G C 1.430 175.959 174.900 -0.618 0.000 1.121 584 G CA 0.688 45.397 45.100 -0.652 0.000 0.766 584 G HN 0.540 nan 8.290 nan 0.000 0.553 585 N N 0.378 118.929 118.700 -0.249 0.000 2.331 585 N HA 0.015 4.755 4.740 -0.000 0.000 0.180 585 N C 0.930 176.451 175.510 0.019 0.000 1.019 585 N CA 0.178 53.233 53.050 0.007 0.000 0.881 585 N CB -0.018 38.526 38.487 0.094 0.000 0.972 585 N HN 0.308 nan 8.380 nan 0.000 0.435 586 I N 2.767 123.351 120.570 0.023 0.000 2.517 586 I HA 0.033 4.203 4.170 -0.000 0.000 0.285 586 I C -1.342 174.868 176.117 0.155 0.000 1.106 586 I CA -0.997 60.352 61.300 0.082 0.000 1.402 586 I CB 1.230 39.241 38.000 0.018 0.000 1.399 586 I HN -0.040 nan 8.210 nan 0.000 0.535 587 P HA 0.068 nan 4.420 nan 0.000 0.264 587 P C 0.240 177.629 177.300 0.149 0.000 1.259 587 P CA 0.223 63.394 63.100 0.117 0.000 0.841 587 P CB 0.251 31.979 31.700 0.047 0.000 1.232 588 T N -1.942 112.736 114.554 0.207 0.000 2.884 588 T HA 0.686 5.036 4.350 -0.000 0.000 0.277 588 T C 0.192 175.006 174.700 0.191 0.000 0.976 588 T CA -0.860 61.343 62.100 0.171 0.000 0.956 588 T CB 1.043 69.992 68.868 0.135 0.000 1.113 588 T HN 0.050 nan 8.240 nan 0.000 0.554 589 A N 1.564 124.432 122.820 0.081 0.000 2.269 589 A HA 0.627 4.947 4.320 -0.000 0.000 0.302 589 A C -0.741 176.787 177.584 -0.093 0.000 1.266 589 A CA -0.881 51.151 52.037 -0.008 0.000 0.894 589 A CB -0.734 18.290 19.000 0.040 0.000 1.147 589 A HN 0.855 nan 8.150 nan 0.000 0.537 590 Y N -0.294 119.906 120.300 -0.166 0.000 2.512 590 Y HA 0.715 5.265 4.550 -0.000 0.000 0.348 590 Y C 0.743 176.512 175.900 -0.219 0.000 0.990 590 Y CA -0.693 57.113 58.100 -0.489 0.000 1.033 590 Y CB 1.404 39.337 38.460 -0.878 0.000 1.259 590 Y HN 0.407 nan 8.280 nan 0.000 0.461 591 G N 0.676 109.402 108.800 -0.123 0.000 2.673 591 G HA2 0.371 4.331 3.960 -0.000 0.000 0.208 591 G HA3 0.371 4.331 3.960 -0.000 0.000 0.208 591 G C 0.467 175.473 174.900 0.177 0.000 1.128 591 G CA 0.199 45.434 45.100 0.226 0.000 0.805 591 G HN 0.953 nan 8.290 nan 0.000 0.526 592 A N 0.721 123.461 122.820 -0.132 0.000 2.346 592 A HA 0.465 4.785 4.320 -0.000 0.000 0.252 592 A C -0.077 177.410 177.584 -0.162 0.000 1.089 592 A CA -0.486 51.346 52.037 -0.342 0.000 0.797 592 A CB 0.030 18.842 19.000 -0.314 0.000 1.047 592 A HN 0.374 nan 8.150 nan 0.000 0.494 593 N N 1.982 120.444 118.700 -0.396 0.000 2.468 593 N HA 0.230 4.970 4.740 -0.000 0.000 0.265 593 N C -2.007 173.378 175.510 -0.208 0.000 1.199 593 N CA -0.827 51.954 53.050 -0.449 0.000 0.928 593 N CB 0.472 38.789 38.487 -0.284 0.000 1.059 593 N HN 0.417 nan 8.380 nan 0.000 0.467 594 P HA -0.015 nan 4.420 nan 0.000 0.240 594 P C 0.510 177.685 177.300 -0.208 0.000 1.190 594 P CA 0.671 63.633 63.100 -0.231 0.000 0.781 594 P CB 0.334 31.864 31.700 -0.284 0.000 0.931 595 T N 0.998 115.515 114.554 -0.061 0.000 2.746 595 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 595 T C 1.772 176.548 174.700 0.126 0.000 1.039 595 T CA 1.010 63.145 62.100 0.058 0.000 1.142 595 T CB -0.853 68.093 68.868 0.130 0.000 0.866 595 T HN 0.016 nan 8.240 nan 0.000 0.444 596 L N 1.006 122.319 121.223 0.152 0.000 2.042 596 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 596 L C 2.517 179.451 176.870 0.106 0.000 1.076 596 L CA 1.789 56.762 54.840 0.222 0.000 0.749 596 L CB -1.002 41.168 42.059 0.185 0.000 0.893 596 L HN 0.207 nan 8.230 nan 0.000 0.432 597 T N -0.587 113.886 114.554 -0.134 0.000 2.812 597 T HA -0.094 4.256 4.350 -0.000 0.000 0.264 597 T C 1.914 176.525 174.700 -0.149 0.000 1.042 597 T CA 1.116 63.053 62.100 -0.272 0.000 1.140 597 T CB -0.445 67.829 68.868 -0.990 0.000 0.870 597 T HN 0.513 nan 8.240 nan 0.000 0.445 598 A N 1.735 124.471 122.820 -0.140 0.000 1.917 598 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 598 A C 2.314 179.864 177.584 -0.056 0.000 1.182 598 A CA 2.069 54.068 52.037 -0.064 0.000 0.633 598 A CB -0.764 18.219 19.000 -0.029 0.000 0.819 598 A HN 0.558 nan 8.150 nan 0.000 0.448 599 M N -0.432 119.140 119.600 -0.046 0.000 2.132 599 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 599 M C 2.095 178.307 176.300 -0.147 0.000 1.065 599 M CA 2.135 57.379 55.300 -0.093 0.000 1.122 599 M CB -0.151 32.393 32.600 -0.094 0.000 1.365 599 M HN 0.347 nan 8.290 nan 0.000 0.411 600 S N 1.269 116.889 115.700 -0.133 0.000 2.368 600 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 600 S C 1.771 176.196 174.600 -0.292 0.000 1.030 600 S CA 1.479 59.541 58.200 -0.230 0.000 0.999 600 S CB -0.575 62.455 63.200 -0.283 0.000 0.844 600 S HN 0.524 nan 8.310 nan 0.000 0.459 601 L N 1.155 122.248 121.223 -0.218 0.000 2.042 601 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 601 L C 2.794 179.532 176.870 -0.220 0.000 1.076 601 L CA 1.298 56.007 54.840 -0.219 0.000 0.749 601 L CB -0.733 41.264 42.059 -0.103 0.000 0.893 601 L HN 0.334 nan 8.230 nan 0.000 0.432 602 A N 0.202 122.884 122.820 -0.229 0.000 1.930 602 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 602 A C 2.218 179.486 177.584 -0.526 0.000 1.175 602 A CA 1.366 53.151 52.037 -0.419 0.000 0.627 602 A CB -0.613 18.117 19.000 -0.450 0.000 0.815 602 A HN 0.348 nan 8.150 nan 0.000 0.443 603 I N -0.410 119.942 120.570 -0.364 0.000 2.163 603 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 603 I C 2.535 178.488 176.117 -0.273 0.000 1.085 603 I CA 1.997 63.117 61.300 -0.300 0.000 1.347 603 I CB -0.269 37.568 38.000 -0.272 0.000 1.044 603 I HN 0.385 nan 8.210 nan 0.000 0.408 604 K N 0.545 120.780 120.400 -0.274 0.000 2.063 604 K HA -0.249 4.071 4.320 -0.000 0.000 0.208 604 K C 2.350 178.857 176.600 -0.154 0.000 1.048 604 K CA 1.972 58.126 56.287 -0.221 0.000 0.928 604 K CB -0.165 32.169 32.500 -0.276 0.000 0.713 604 K HN 0.156 nan 8.250 nan 0.000 0.442 605 S N -0.212 115.376 115.700 -0.187 0.000 2.368 605 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 605 S C 2.046 176.542 174.600 -0.173 0.000 1.030 605 S CA 1.419 59.547 58.200 -0.120 0.000 0.999 605 S CB -0.472 62.696 63.200 -0.054 0.000 0.844 605 S HN 0.579 nan 8.310 nan 0.000 0.459 606 C N 1.467 120.588 119.300 -0.298 0.000 2.422 606 C HA 0.031 4.491 4.460 -0.000 0.000 0.279 606 C C 2.511 177.414 174.990 -0.145 0.000 1.305 606 C CA 0.664 59.520 59.018 -0.271 0.000 1.757 606 C CB -1.430 26.112 27.740 -0.329 0.000 1.962 606 C HN 0.680 nan 8.230 nan 0.000 0.499 607 E N -0.613 119.526 120.200 -0.102 0.000 2.110 607 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 607 E C 1.824 178.431 176.600 0.011 0.000 0.988 607 E CA 1.364 57.736 56.400 -0.045 0.000 0.804 607 E CB -0.280 29.389 29.700 -0.052 0.000 0.745 607 E HN 0.834 nan 8.360 nan 0.000 0.458 608 Y N 1.062 121.322 120.300 -0.066 0.000 2.200 608 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 608 Y C 1.891 177.818 175.900 0.045 0.000 1.137 608 Y CA 1.298 59.403 58.100 0.008 0.000 1.163 608 Y CB -0.021 38.477 38.460 0.064 0.000 0.988 608 Y HN -0.058 nan 8.280 nan 0.000 0.518 609 I N 0.284 120.894 120.570 0.067 0.000 2.252 609 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 609 I C 2.244 178.395 176.117 0.057 0.000 1.102 609 I CA 1.487 62.804 61.300 0.029 0.000 1.385 609 I CB -0.344 37.450 38.000 -0.344 0.000 1.064 609 I HN 0.137 nan 8.210 nan 0.000 0.414 610 K N 0.360 120.755 120.400 -0.009 0.000 2.209 610 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 610 K C 1.905 178.554 176.600 0.082 0.000 1.048 610 K CA 1.034 57.389 56.287 0.113 0.000 0.940 610 K CB -0.084 32.466 32.500 0.084 0.000 0.729 610 K HN 0.463 nan 8.250 nan 0.000 0.451 611 Q N -0.254 119.520 119.800 -0.043 0.000 2.424 611 Q HA 0.050 4.390 4.340 -0.000 0.000 0.204 611 Q C 0.939 176.825 176.000 -0.191 0.000 0.933 611 Q CA 0.496 56.233 55.803 -0.110 0.000 0.929 611 Q CB 0.396 29.044 28.738 -0.150 0.000 1.037 611 Q HN 0.323 nan 8.270 nan 0.000 0.511 612 N N -0.945 117.618 118.700 -0.228 0.000 2.168 612 N HA 0.149 4.889 4.740 -0.000 0.000 0.216 612 N C -0.794 174.354 175.510 -0.603 0.000 1.259 612 N CA 0.217 52.993 53.050 -0.457 0.000 0.902 612 N CB 0.984 39.034 38.487 -0.729 0.000 1.079 612 N HN -0.013 nan 8.380 nan 0.000 0.507 613 F N 0.521 120.491 119.950 0.034 0.000 2.565 613 F HA 0.370 4.897 4.527 -0.000 0.000 0.313 613 F C 0.098 176.029 175.800 0.219 0.000 1.091 613 F CA -0.658 57.424 58.000 0.137 0.000 0.915 613 F CB 1.938 41.031 39.000 0.155 0.000 1.208 613 F HN -0.386 nan 8.300 nan 0.000 0.453 614 T N 3.552 118.288 114.554 0.303 0.000 2.771 614 T HA 0.412 4.762 4.350 -0.000 0.000 0.281 614 T C -2.614 172.099 174.700 0.022 0.000 0.982 614 T CA -1.499 60.667 62.100 0.110 0.000 0.978 614 T CB 1.204 70.096 68.868 0.040 0.000 0.930 614 T HN 0.122 nan 8.240 nan 0.000 0.447 615 P HA 0.124 nan 4.420 nan 0.000 0.266 615 P C 0.057 177.273 177.300 -0.141 0.000 1.195 615 P CA -0.403 62.438 63.100 -0.433 0.000 0.768 615 P CB 0.263 31.559 31.700 -0.673 0.000 0.838 616 S N 3.722 119.386 115.700 -0.059 0.000 2.568 616 S HA 0.218 4.687 4.470 -0.000 0.000 0.282 616 S C -1.956 172.631 174.600 -0.022 0.000 1.338 616 S CA -0.976 57.211 58.200 -0.021 0.000 1.045 616 S CB -0.739 62.457 63.200 -0.007 0.000 0.873 616 S HN 0.333 nan 8.310 nan 0.000 0.516 617 P HA 0.078 nan 4.420 nan 0.000 0.268 617 P C -0.573 176.806 177.300 0.131 0.000 1.204 617 P CA -0.350 62.782 63.100 0.052 0.000 0.768 617 P CB 0.145 31.870 31.700 0.041 0.000 0.842 618 F N 3.646 123.579 119.950 -0.027 0.000 2.487 618 F HA 0.116 4.643 4.527 -0.000 0.000 0.364 618 F C 1.085 176.877 175.800 -0.013 0.000 1.126 618 F CA -0.357 57.633 58.000 -0.017 0.000 1.135 618 F CB -0.560 38.432 39.000 -0.013 0.000 1.127 618 F HN 0.225 nan 8.300 nan 0.000 0.559 619 T N 0.000 114.876 114.554 0.536 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.258 62.100 0.263 0.000 1.349 619 T CB 0.000 68.963 68.868 0.158 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658