REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2igm_1_A DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLNLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.259 176.300 -0.069 0.000 1.140 43 M CA 0.000 55.290 55.300 -0.016 0.000 0.988 43 M CB 0.000 32.393 32.600 -0.346 0.000 1.302 44 D N 3.760 124.152 120.400 -0.013 0.000 2.354 44 D HA 0.261 4.900 4.640 -0.000 0.000 0.238 44 D C 1.116 177.344 176.300 -0.121 0.000 1.250 44 D CA 0.192 54.103 54.000 -0.149 0.000 0.911 44 D CB 0.727 41.288 40.800 -0.398 0.000 1.163 44 D HN 0.738 nan 8.370 nan 0.000 0.456 45 I N -2.996 117.495 120.570 -0.132 0.000 4.081 45 I HA 0.294 4.463 4.170 -0.000 0.000 0.333 45 I C 0.071 176.172 176.117 -0.026 0.000 1.413 45 I CA -0.349 60.933 61.300 -0.031 0.000 1.110 45 I CB 0.058 38.054 38.000 -0.007 0.000 1.082 45 I HN -0.033 nan 8.210 nan 0.000 0.402 46 K N 0.882 121.138 120.400 -0.240 0.000 2.507 46 K HA 0.604 4.924 4.320 -0.000 0.000 0.252 46 K C -1.891 174.412 176.600 -0.496 0.000 0.943 46 K CA -0.490 55.676 56.287 -0.203 0.000 0.808 46 K CB 1.023 33.450 32.500 -0.121 0.000 1.142 46 K HN 0.136 nan 8.250 nan 0.000 0.426 47 Y N 1.087 121.374 120.300 -0.022 0.000 2.633 47 Y HA 0.273 4.823 4.550 -0.000 0.000 0.339 47 Y C 0.738 176.613 175.900 -0.042 0.000 1.045 47 Y CA -0.762 57.316 58.100 -0.036 0.000 1.098 47 Y CB 1.783 40.218 38.460 -0.042 0.000 1.296 47 Y HN 0.595 nan 8.280 nan 0.000 0.494 48 D N 0.072 120.552 120.400 0.134 0.000 2.123 48 D HA 0.018 4.658 4.640 -0.000 0.000 0.200 48 D C -0.305 175.992 176.300 -0.005 0.000 0.976 48 D CA 1.455 55.521 54.000 0.110 0.000 0.831 48 D CB 0.247 41.187 40.800 0.234 0.000 0.974 48 D HN 0.104 nan 8.370 nan 0.000 0.469 49 V N 0.975 120.873 119.914 -0.028 0.000 2.686 49 V HA 0.361 4.481 4.120 -0.000 0.000 0.306 49 V C -0.369 175.625 176.094 -0.167 0.000 1.065 49 V CA -1.076 61.114 62.300 -0.184 0.000 0.894 49 V CB 2.568 34.252 31.823 -0.232 0.000 1.004 49 V HN -0.013 nan 8.190 nan 0.000 0.424 50 V N 2.971 122.744 119.914 -0.235 0.000 2.555 50 V HA 0.764 4.884 4.120 -0.000 0.000 0.302 50 V C -0.663 175.366 176.094 -0.107 0.000 1.038 50 V CA -0.575 61.645 62.300 -0.133 0.000 0.887 50 V CB 1.667 33.485 31.823 -0.009 0.000 0.991 50 V HN 0.689 nan 8.190 nan 0.000 0.434 51 I N 4.451 124.979 120.570 -0.070 0.000 2.406 51 I HA 0.494 4.664 4.170 -0.000 0.000 0.290 51 I C -0.541 175.587 176.117 0.018 0.000 0.999 51 I CA -0.910 60.336 61.300 -0.090 0.000 1.124 51 I CB 2.221 40.154 38.000 -0.113 0.000 1.289 51 I HN 0.449 nan 8.210 nan 0.000 0.441 52 V N 5.606 125.517 119.914 -0.004 0.000 2.333 52 V HA 0.792 4.912 4.120 -0.000 0.000 0.274 52 V C 0.467 176.561 176.094 0.000 0.000 1.028 52 V CA -0.280 62.042 62.300 0.037 0.000 0.851 52 V CB 0.542 32.365 31.823 0.000 0.000 1.000 52 V HN 1.064 nan 8.190 nan 0.000 0.456 53 G N 4.025 112.841 108.800 0.027 0.000 2.911 53 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.686 53 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.686 53 G C -0.044 174.865 174.900 0.016 0.000 1.136 53 G CA -0.235 44.873 45.100 0.014 0.000 0.764 53 G HN 1.351 nan 8.290 nan 0.000 0.626 54 S N 1.066 116.780 115.700 0.023 0.000 2.651 54 S HA 0.613 5.082 4.470 -0.000 0.000 0.246 54 S C 1.296 175.905 174.600 0.015 0.000 1.039 54 S CA 0.742 58.963 58.200 0.035 0.000 1.013 54 S CB 0.569 63.803 63.200 0.056 0.000 0.861 54 S HN 1.959 nan 8.310 nan 0.000 0.485 55 G N 2.688 111.486 108.800 -0.004 0.000 2.570 55 G HA2 0.386 4.346 3.960 -0.000 0.000 0.276 55 G HA3 0.386 4.346 3.960 -0.000 0.000 0.276 55 G C -1.190 173.685 174.900 -0.043 0.000 1.346 55 G CA -1.177 43.901 45.100 -0.036 0.000 1.034 55 G HN 0.266 nan 8.290 nan 0.000 0.512 56 P HA -0.039 nan 4.420 nan 0.000 0.221 56 P C 1.730 178.977 177.300 -0.088 0.000 1.150 56 P CA 0.653 63.703 63.100 -0.083 0.000 0.800 56 P CB 0.182 31.853 31.700 -0.047 0.000 0.787 57 I N 0.222 120.771 120.570 -0.034 0.000 2.333 57 I HA -0.035 4.135 4.170 -0.000 0.000 0.246 57 I C 2.689 178.860 176.117 0.089 0.000 1.106 57 I CA 1.504 62.818 61.300 0.023 0.000 1.411 57 I CB -2.312 35.726 38.000 0.063 0.000 1.082 57 I HN -0.003 nan 8.210 nan 0.000 0.420 58 G N 0.285 109.111 108.800 0.043 0.000 2.442 58 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 58 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 58 G C 1.762 176.654 174.900 -0.013 0.000 1.141 58 G CA 1.042 46.157 45.100 0.024 0.000 0.763 58 G HN 0.414 nan 8.290 nan 0.000 0.554 59 C N 0.591 119.861 119.300 -0.050 0.000 2.446 59 C HA 0.049 4.508 4.460 -0.000 0.000 0.279 59 C C 3.180 178.037 174.990 -0.221 0.000 1.366 59 C CA 1.318 60.264 59.018 -0.120 0.000 1.763 59 C CB -0.929 26.792 27.740 -0.032 0.000 1.929 59 C HN 0.452 nan 8.230 nan 0.000 0.509 60 T N 0.105 114.557 114.554 -0.171 0.000 2.708 60 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 60 T C 1.469 176.015 174.700 -0.257 0.000 1.037 60 T CA 1.632 63.602 62.100 -0.218 0.000 1.146 60 T CB -0.451 68.317 68.868 -0.167 0.000 0.865 60 T HN 0.552 nan 8.240 nan 0.000 0.435 61 Y N 1.560 121.717 120.300 -0.237 0.000 2.165 61 Y HA -0.120 4.430 4.550 -0.000 0.000 0.286 61 Y C 2.778 178.457 175.900 -0.368 0.000 1.155 61 Y CA 1.057 58.997 58.100 -0.268 0.000 1.164 61 Y CB -0.676 37.644 38.460 -0.234 0.000 0.978 61 Y HN 0.205 nan 8.280 nan 0.000 0.513 62 A N 0.086 122.707 122.820 -0.332 0.000 1.877 62 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 62 A C 2.294 179.304 177.584 -0.957 0.000 1.186 62 A CA 1.789 53.393 52.037 -0.722 0.000 0.620 62 A CB -0.748 17.587 19.000 -1.108 0.000 0.822 62 A HN 0.423 nan 8.150 nan 0.000 0.443 63 R N -0.375 119.617 120.500 -0.847 0.000 2.083 63 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 63 R C 2.019 178.108 176.300 -0.351 0.000 1.137 63 R CA 1.779 57.537 56.100 -0.569 0.000 0.951 63 R CB -0.265 29.731 30.300 -0.507 0.000 0.851 63 R HN 0.573 nan 8.270 nan 0.000 0.434 64 E N 0.376 120.399 120.200 -0.296 0.000 2.072 64 E HA -0.171 4.178 4.350 -0.000 0.000 0.191 64 E C 2.126 178.652 176.600 -0.123 0.000 0.985 64 E CA 1.181 57.482 56.400 -0.166 0.000 0.801 64 E CB -0.041 29.553 29.700 -0.177 0.000 0.750 64 E HN 0.428 nan 8.360 nan 0.000 0.452 65 L N 0.191 121.310 121.223 -0.173 0.000 2.202 65 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 65 L C 2.515 179.410 176.870 0.041 0.000 1.083 65 L CA 0.223 55.009 54.840 -0.091 0.000 0.790 65 L CB -0.235 41.665 42.059 -0.265 0.000 0.942 65 L HN -0.066 nan 8.230 nan 0.000 0.452 66 V N 0.620 120.472 119.914 -0.104 0.000 2.343 66 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 66 V C 2.651 178.756 176.094 0.019 0.000 1.051 66 V CA 2.086 64.363 62.300 -0.038 0.000 1.036 66 V CB -1.261 30.471 31.823 -0.152 0.000 0.654 66 V HN 0.560 nan 8.190 nan 0.000 0.451 67 G N -0.390 108.400 108.800 -0.018 0.000 2.432 67 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 67 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 67 G C 1.500 176.425 174.900 0.042 0.000 1.135 67 G CA 0.867 45.977 45.100 0.016 0.000 0.767 67 G HN 0.642 nan 8.290 nan 0.000 0.550 68 A N -0.477 122.389 122.820 0.078 0.000 2.238 68 A HA 0.477 4.797 4.320 -0.000 0.000 0.208 68 A C 1.939 179.543 177.584 0.033 0.000 1.177 68 A CA 1.248 53.345 52.037 0.099 0.000 0.804 68 A CB -0.399 18.732 19.000 0.218 0.000 0.823 68 A HN 1.576 nan 8.150 nan 0.000 0.482 69 G N -2.459 106.364 108.800 0.038 0.000 2.159 69 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.227 69 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.227 69 G C -0.066 174.772 174.900 -0.103 0.000 0.986 69 G CA 0.091 45.168 45.100 -0.038 0.000 0.651 69 G HN 0.390 nan 8.290 nan 0.000 0.523 70 Y N 0.507 120.795 120.300 -0.019 0.000 2.304 70 Y HA 0.462 5.012 4.550 -0.000 0.000 0.327 70 Y C 1.083 176.963 175.900 -0.033 0.000 1.209 70 Y CA -0.114 57.972 58.100 -0.025 0.000 1.299 70 Y CB 0.810 39.248 38.460 -0.037 0.000 1.249 70 Y HN 0.071 nan 8.280 nan 0.000 0.519 71 K N 2.897 123.362 120.400 0.109 0.000 2.292 71 K HA 0.373 4.693 4.320 -0.000 0.000 0.290 71 K C -1.537 175.156 176.600 0.155 0.000 1.083 71 K CA -0.098 56.233 56.287 0.072 0.000 0.918 71 K CB -0.080 32.429 32.500 0.016 0.000 1.089 71 K HN 0.487 nan 8.250 nan 0.000 0.473 72 V N 3.276 123.258 119.914 0.114 0.000 2.459 72 V HA 0.568 4.688 4.120 -0.000 0.000 0.295 72 V C -0.246 175.722 176.094 -0.210 0.000 1.029 72 V CA -0.951 61.364 62.300 0.025 0.000 0.874 72 V CB 1.439 33.323 31.823 0.102 0.000 0.985 72 V HN 0.867 nan 8.190 nan 0.000 0.438 73 A N 5.804 128.338 122.820 -0.478 0.000 2.330 73 A HA 0.927 5.247 4.320 -0.000 0.000 0.327 73 A C -0.629 176.597 177.584 -0.597 0.000 1.155 73 A CA -0.601 50.934 52.037 -0.836 0.000 0.803 73 A CB 1.480 19.627 19.000 -1.422 0.000 1.208 73 A HN 0.906 nan 8.150 nan 0.000 0.477 74 M N 2.387 121.559 119.600 -0.713 0.000 2.395 74 M HA 0.734 5.214 4.480 -0.000 0.000 0.307 74 M C -2.160 173.796 176.300 -0.572 0.000 1.091 74 M CA -0.446 54.612 55.300 -0.403 0.000 0.919 74 M CB 1.262 33.820 32.600 -0.069 0.000 1.662 74 M HN 0.599 nan 8.290 nan 0.000 0.440 75 F N 2.262 122.195 119.950 -0.029 0.000 2.495 75 F HA 0.556 5.083 4.527 -0.000 0.000 0.327 75 F C -0.167 175.623 175.800 -0.017 0.000 1.103 75 F CA -0.502 57.497 58.000 -0.001 0.000 0.949 75 F CB 1.486 40.462 39.000 -0.041 0.000 1.142 75 F HN 0.448 nan 8.300 nan 0.000 0.457 76 D N 2.899 123.385 120.400 0.144 0.000 2.879 76 D HA 0.233 4.873 4.640 -0.000 0.000 0.236 76 D C 0.564 176.884 176.300 0.034 0.000 1.171 76 D CA -0.335 53.702 54.000 0.061 0.000 0.868 76 D CB 2.443 43.263 40.800 0.035 0.000 1.598 76 D HN 0.638 nan 8.370 nan 0.000 0.497 77 I N 2.009 122.552 120.570 -0.045 0.000 2.493 77 I HA 0.003 4.173 4.170 -0.000 0.000 0.254 77 I C 1.206 177.278 176.117 -0.075 0.000 1.160 77 I CA 0.843 62.069 61.300 -0.123 0.000 1.445 77 I CB 0.134 37.938 38.000 -0.326 0.000 1.086 77 I HN 0.349 nan 8.210 nan 0.000 0.433 78 G N 0.036 108.812 108.800 -0.041 0.000 2.563 78 G HA2 0.334 4.293 3.960 -0.000 0.000 0.283 78 G HA3 0.334 4.293 3.960 -0.000 0.000 0.283 78 G C -0.768 174.148 174.900 0.027 0.000 1.309 78 G CA -0.389 44.715 45.100 0.006 0.000 1.022 78 G HN 0.334 nan 8.290 nan 0.000 0.501 79 E N -1.448 118.775 120.200 0.038 0.000 2.320 79 E HA 0.359 4.709 4.350 -0.000 0.000 0.264 79 E C -0.467 176.157 176.600 0.040 0.000 0.923 79 E CA -0.776 55.648 56.400 0.040 0.000 0.796 79 E CB 2.531 32.258 29.700 0.044 0.000 1.262 79 E HN 0.265 nan 8.360 nan 0.000 0.428 80 I N 2.592 123.183 120.570 0.036 0.000 2.517 80 I HA 0.005 4.175 4.170 -0.000 0.000 0.285 80 I C -0.253 175.892 176.117 0.047 0.000 1.106 80 I CA 0.681 62.004 61.300 0.038 0.000 1.402 80 I CB 0.097 38.113 38.000 0.028 0.000 1.399 80 I HN 0.549 nan 8.210 nan 0.000 0.535 81 D N 2.768 123.203 120.400 0.058 0.000 3.629 81 D HA 0.021 4.661 4.640 -0.000 0.000 0.306 81 D C -0.329 176.027 176.300 0.093 0.000 1.431 81 D CA -0.370 53.672 54.000 0.070 0.000 0.748 81 D CB -0.256 40.584 40.800 0.067 0.000 1.315 81 D HN 0.240 nan 8.370 nan 0.000 0.667 82 S N -0.069 115.689 115.700 0.097 0.000 2.741 82 S HA 0.659 5.128 4.470 -0.000 0.000 0.247 82 S C 0.923 175.594 174.600 0.119 0.000 1.050 82 S CA -0.062 58.215 58.200 0.127 0.000 1.025 82 S CB 0.921 64.201 63.200 0.133 0.000 0.897 82 S HN 0.928 nan 8.310 nan 0.000 0.508 83 G N 1.642 110.498 108.800 0.095 0.000 2.568 83 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.222 83 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.222 83 G C 0.242 175.176 174.900 0.057 0.000 1.321 83 G CA -0.322 44.826 45.100 0.079 0.000 0.893 83 G HN 0.300 nan 8.290 nan 0.000 0.569 84 L N 0.378 121.629 121.223 0.046 0.000 2.395 84 L HA 0.134 4.474 4.340 -0.000 0.000 0.218 84 L C 1.427 178.310 176.870 0.021 0.000 1.130 84 L CA 0.826 55.682 54.840 0.027 0.000 0.826 84 L CB -0.345 41.725 42.059 0.018 0.000 0.941 84 L HN 0.309 nan 8.230 nan 0.000 0.451 85 K N 2.044 122.466 120.400 0.037 0.000 2.262 85 K HA 0.294 4.614 4.320 -0.000 0.000 0.288 85 K C -0.242 176.380 176.600 0.038 0.000 1.090 85 K CA -0.163 56.142 56.287 0.031 0.000 0.918 85 K CB 0.680 33.212 32.500 0.054 0.000 1.139 85 K HN 0.114 nan 8.250 nan 0.000 0.462 86 I N 2.061 122.637 120.570 0.011 0.000 2.587 86 I HA -0.073 4.096 4.170 -0.000 0.000 0.284 86 I C 1.348 177.483 176.117 0.031 0.000 1.134 86 I CA 0.732 62.043 61.300 0.018 0.000 1.410 86 I CB 0.214 38.215 38.000 0.001 0.000 1.392 86 I HN 0.956 nan 8.210 nan 0.000 0.545 87 G N 4.315 113.146 108.800 0.051 0.000 2.153 87 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.252 87 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.252 87 G C 0.332 175.283 174.900 0.085 0.000 0.994 87 G CA 0.060 45.195 45.100 0.058 0.000 0.698 87 G HN 0.970 nan 8.290 nan 0.000 0.521 88 A N -0.358 122.529 122.820 0.111 0.000 2.296 88 A HA 0.603 4.923 4.320 -0.000 0.000 0.264 88 A C 0.605 178.318 177.584 0.216 0.000 1.097 88 A CA -0.304 51.836 52.037 0.172 0.000 0.811 88 A CB 0.256 19.357 19.000 0.169 0.000 1.072 88 A HN 0.610 nan 8.150 nan 0.000 0.495 89 H N 0.579 119.788 119.070 0.230 0.000 2.975 89 H HA 0.083 4.639 4.556 -0.000 0.000 0.303 89 H C 0.760 176.229 175.328 0.234 0.000 1.023 89 H CA 0.761 56.962 56.048 0.256 0.000 1.473 89 H CB 0.756 30.689 29.762 0.285 0.000 1.498 89 H HN 0.682 nan 8.280 nan 0.000 0.549 90 K N 3.502 124.122 120.400 0.366 0.000 2.362 90 K HA -0.109 4.211 4.320 -0.000 0.000 0.200 90 K C 1.719 178.605 176.600 0.476 0.000 1.046 90 K CA 0.691 57.245 56.287 0.446 0.000 0.952 90 K CB 0.335 33.109 32.500 0.457 0.000 0.753 90 K HN 0.406 nan 8.250 nan 0.000 0.466 91 K N 1.005 121.547 120.400 0.237 0.000 2.486 91 K HA -0.012 4.308 4.320 -0.000 0.000 0.194 91 K C 0.413 177.062 176.600 0.082 0.000 1.033 91 K CA 0.497 56.606 56.287 -0.297 0.000 1.004 91 K CB 0.232 32.109 32.500 -1.039 0.000 0.798 91 K HN -0.003 nan 8.250 nan 0.000 0.495 92 N N 1.662 120.516 118.700 0.256 0.000 2.410 92 N HA -0.022 4.718 4.740 -0.000 0.000 0.231 92 N C -0.741 175.047 175.510 0.463 0.000 1.172 92 N CA 0.313 53.551 53.050 0.312 0.000 0.849 92 N CB 0.607 39.315 38.487 0.368 0.000 1.116 92 N HN 0.262 nan 8.380 nan 0.000 0.485 93 T N -3.991 110.803 114.554 0.399 0.000 2.895 93 T HA 0.331 4.681 4.350 -0.000 0.000 0.283 93 T C 1.586 176.509 174.700 0.372 0.000 1.014 93 T CA -0.784 61.523 62.100 0.344 0.000 1.037 93 T CB 1.737 70.749 68.868 0.240 0.000 1.006 93 T HN -0.191 nan 8.240 nan 0.000 0.468 94 V N 1.452 121.552 119.914 0.309 0.000 2.332 94 V HA -0.141 3.978 4.120 -0.000 0.000 0.248 94 V C 2.815 179.002 176.094 0.155 0.000 1.055 94 V CA 2.376 64.837 62.300 0.268 0.000 1.038 94 V CB -1.051 30.851 31.823 0.131 0.000 0.651 94 V HN 1.036 nan 8.190 nan 0.000 0.450 95 E N -0.289 119.944 120.200 0.055 0.000 2.077 95 E HA -0.215 4.134 4.350 -0.000 0.000 0.193 95 E C 2.019 178.592 176.600 -0.046 0.000 0.989 95 E CA 1.696 58.067 56.400 -0.049 0.000 0.800 95 E CB -0.368 29.230 29.700 -0.170 0.000 0.746 95 E HN 0.666 nan 8.360 nan 0.000 0.452 96 Y N 0.785 121.172 120.300 0.144 0.000 2.293 96 Y HA -0.037 4.513 4.550 -0.000 0.000 0.291 96 Y C 2.136 178.085 175.900 0.082 0.000 1.137 96 Y CA 1.303 59.484 58.100 0.136 0.000 1.202 96 Y CB -0.211 38.350 38.460 0.169 0.000 0.990 96 Y HN 0.189 nan 8.280 nan 0.000 0.537 97 Q N -0.262 119.659 119.800 0.202 0.000 2.435 97 Q HA -0.081 4.258 4.340 -0.000 0.000 0.207 97 Q C 1.501 177.572 176.000 0.119 0.000 0.956 97 Q CA 0.678 56.549 55.803 0.114 0.000 0.917 97 Q CB -0.011 28.725 28.738 -0.003 0.000 0.997 97 Q HN 0.453 nan 8.270 nan 0.000 0.497 98 K N 0.338 120.811 120.400 0.122 0.000 2.400 98 K HA 0.081 4.401 4.320 -0.000 0.000 0.194 98 K C 0.284 176.940 176.600 0.093 0.000 1.033 98 K CA 0.291 56.634 56.287 0.092 0.000 1.021 98 K CB 0.505 33.047 32.500 0.070 0.000 0.808 98 K HN 0.089 nan 8.250 nan 0.000 0.505 99 N N 1.267 120.047 118.700 0.133 0.000 2.703 99 N HA 0.050 4.789 4.740 -0.000 0.000 0.283 99 N C 0.209 175.861 175.510 0.236 0.000 1.851 99 N CA 0.033 53.176 53.050 0.154 0.000 0.826 99 N CB 0.996 39.560 38.487 0.128 0.000 1.239 99 N HN 0.026 nan 8.380 nan 0.000 0.495 100 I N 0.829 121.517 120.570 0.196 0.000 2.226 100 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 100 I C 0.948 177.198 176.117 0.221 0.000 1.100 100 I CA 1.690 63.110 61.300 0.200 0.000 1.374 100 I CB 0.162 38.242 38.000 0.133 0.000 1.057 100 I HN 0.132 nan 8.210 nan 0.000 0.413 101 D N 1.052 121.577 120.400 0.209 0.000 2.265 101 D HA -0.171 4.469 4.640 -0.000 0.000 0.208 101 D C 1.977 178.372 176.300 0.157 0.000 0.977 101 D CA 0.648 54.767 54.000 0.197 0.000 0.871 101 D CB -0.115 40.836 40.800 0.251 0.000 0.925 101 D HN 0.314 nan 8.370 nan 0.000 0.485 102 K N 0.010 120.538 120.400 0.213 0.000 2.283 102 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 102 K C 1.754 178.441 176.600 0.145 0.000 1.048 102 K CA 0.048 56.466 56.287 0.218 0.000 0.948 102 K CB -0.426 32.271 32.500 0.328 0.000 0.742 102 K HN 0.229 nan 8.250 nan 0.000 0.458 103 F N 1.506 121.422 119.950 -0.057 0.000 2.365 103 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 103 F C 1.751 177.430 175.800 -0.201 0.000 1.090 103 F CA 0.549 58.353 58.000 -0.326 0.000 1.408 103 F CB -0.027 38.770 39.000 -0.338 0.000 1.060 103 F HN -0.287 nan 8.300 nan 0.000 0.534 104 V N 0.196 120.023 119.914 -0.144 0.000 2.568 104 V HA -0.340 3.779 4.120 -0.000 0.000 0.253 104 V C 1.747 177.668 176.094 -0.289 0.000 1.072 104 V CA 2.267 64.439 62.300 -0.212 0.000 1.084 104 V CB -1.116 30.600 31.823 -0.179 0.000 0.676 104 V HN 0.370 nan 8.190 nan 0.000 0.469 105 N N 0.125 118.673 118.700 -0.252 0.000 2.216 105 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 105 N C 1.702 177.035 175.510 -0.295 0.000 1.017 105 N CA 1.124 54.046 53.050 -0.213 0.000 0.861 105 N CB -0.279 38.146 38.487 -0.104 0.000 0.986 105 N HN 0.328 nan 8.380 nan 0.000 0.428 106 V N 1.501 121.124 119.914 -0.485 0.000 2.255 106 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 106 V C 2.067 177.833 176.094 -0.547 0.000 1.051 106 V CA 1.548 63.499 62.300 -0.583 0.000 1.018 106 V CB -0.621 30.569 31.823 -1.055 0.000 0.641 106 V HN 0.297 nan 8.190 nan 0.000 0.445 107 I N -0.330 119.823 120.570 -0.696 0.000 2.099 107 I HA -0.356 3.813 4.170 -0.000 0.000 0.239 107 I C 2.783 178.646 176.117 -0.422 0.000 1.066 107 I CA 1.936 62.872 61.300 -0.607 0.000 1.324 107 I CB -0.545 37.161 38.000 -0.490 0.000 1.037 107 I HN 0.347 nan 8.210 nan 0.000 0.401 108 Q N 0.420 120.033 119.800 -0.311 0.000 2.112 108 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 108 Q C 2.271 178.174 176.000 -0.162 0.000 0.987 108 Q CA 1.740 57.417 55.803 -0.210 0.000 0.858 108 Q CB -0.534 28.097 28.738 -0.178 0.000 0.905 108 Q HN 0.685 nan 8.270 nan 0.000 0.420 109 G N 0.908 109.611 108.800 -0.163 0.000 2.559 109 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 109 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 109 G C 0.967 175.821 174.900 -0.076 0.000 1.126 109 G CA 0.763 45.801 45.100 -0.103 0.000 0.778 109 G HN 0.500 nan 8.290 nan 0.000 0.543 110 Q N -0.690 119.048 119.800 -0.103 0.000 2.135 110 Q HA 0.412 4.751 4.340 -0.000 0.000 0.231 110 Q C -0.222 175.766 176.000 -0.021 0.000 0.817 110 Q CA -0.284 55.498 55.803 -0.036 0.000 1.073 110 Q CB 0.171 28.912 28.738 0.004 0.000 1.176 110 Q HN 0.242 nan 8.270 nan 0.000 0.478 111 L N 2.124 123.311 121.223 -0.061 0.000 2.283 111 L HA 0.501 4.841 4.340 -0.000 0.000 0.281 111 L C -0.951 175.920 176.870 0.001 0.000 1.033 111 L CA -0.803 54.022 54.840 -0.026 0.000 0.848 111 L CB 1.160 43.172 42.059 -0.079 0.000 1.226 111 L HN 0.213 nan 8.230 nan 0.000 0.429 112 M N 2.104 121.730 119.600 0.044 0.000 2.129 112 M HA 0.254 4.734 4.480 -0.000 0.000 0.348 112 M C 0.298 176.634 176.300 0.060 0.000 1.116 112 M CA -0.048 55.285 55.300 0.055 0.000 1.022 112 M CB 1.491 34.146 32.600 0.093 0.000 1.599 112 M HN 0.286 nan 8.290 nan 0.000 0.449 113 S N 1.965 117.689 115.700 0.039 0.000 2.546 113 S HA 0.093 4.563 4.470 -0.000 0.000 0.290 113 S C 1.507 176.140 174.600 0.056 0.000 1.290 113 S CA -0.565 57.658 58.200 0.038 0.000 1.069 113 S CB 0.524 63.735 63.200 0.018 0.000 0.846 113 S HN 0.583 nan 8.310 nan 0.000 0.495 114 V N 2.655 122.614 119.914 0.075 0.000 2.323 114 V HA -0.001 4.118 4.120 -0.000 0.000 0.244 114 V C 1.209 177.304 176.094 0.000 0.000 1.041 114 V CA 1.418 63.754 62.300 0.059 0.000 1.025 114 V CB -0.004 31.895 31.823 0.127 0.000 0.656 114 V HN 0.788 nan 8.190 nan 0.000 0.451 115 S N -0.549 115.172 115.700 0.035 0.000 2.776 115 S HA 0.534 5.004 4.470 -0.000 0.000 0.284 115 S C -1.138 173.465 174.600 0.004 0.000 1.160 115 S CA -0.469 57.714 58.200 -0.029 0.000 1.051 115 S CB 1.484 64.626 63.200 -0.096 0.000 1.037 115 S HN 0.006 nan 8.310 nan 0.000 0.485 116 V N 7.844 127.747 119.914 -0.019 0.000 2.384 116 V HA 0.569 4.689 4.120 -0.000 0.000 0.287 116 V C -1.946 174.129 176.094 -0.031 0.000 1.020 116 V CA -1.794 60.494 62.300 -0.019 0.000 0.850 116 V CB 1.546 33.357 31.823 -0.019 0.000 0.987 116 V HN 0.715 nan 8.190 nan 0.000 0.436 117 P HA 0.184 nan 4.420 nan 0.000 0.274 117 P C -0.203 177.071 177.300 -0.044 0.000 1.246 117 P CA -0.177 62.902 63.100 -0.034 0.000 0.795 117 P CB 0.987 32.669 31.700 -0.030 0.000 1.006 118 V N 2.483 122.375 119.914 -0.038 0.000 2.617 118 V HA -0.057 4.063 4.120 -0.000 0.000 0.304 118 V C 1.294 177.336 176.094 -0.087 0.000 1.040 118 V CA 0.278 62.551 62.300 -0.045 0.000 1.149 118 V CB -0.809 31.009 31.823 -0.009 0.000 0.914 118 V HN 0.627 nan 8.190 nan 0.000 0.487 119 N N 3.888 122.525 118.700 -0.105 0.000 2.470 119 N HA 0.087 4.827 4.740 -0.000 0.000 0.268 119 N C 0.627 175.942 175.510 -0.324 0.000 1.136 119 N CA 0.377 53.332 53.050 -0.157 0.000 0.961 119 N CB 1.538 39.962 38.487 -0.105 0.000 1.067 119 N HN 0.855 nan 8.380 nan 0.000 0.468 120 T N 1.134 115.372 114.554 -0.526 0.000 3.252 120 T HA 0.152 4.502 4.350 -0.000 0.000 0.286 120 T C 0.431 174.534 174.700 -0.995 0.000 1.013 120 T CA -0.545 60.793 62.100 -1.271 0.000 0.914 120 T CB -0.169 68.171 68.868 -0.880 0.000 1.131 120 T HN 0.227 nan 8.240 nan 0.000 0.529 121 L N 2.890 123.848 121.223 -0.442 0.000 2.410 121 L HA 0.441 4.780 4.340 -0.000 0.000 0.273 121 L C -0.198 176.681 176.870 0.016 0.000 1.152 121 L CA -0.559 54.177 54.840 -0.173 0.000 0.855 121 L CB 0.771 42.778 42.059 -0.087 0.000 1.129 121 L HN 0.139 nan 8.230 nan 0.000 0.463 122 V N 6.479 126.446 119.914 0.088 0.000 2.432 122 V HA 0.238 4.358 4.120 -0.000 0.000 0.271 122 V C -0.039 176.122 176.094 0.113 0.000 1.046 122 V CA -0.551 61.871 62.300 0.202 0.000 0.945 122 V CB 1.309 33.237 31.823 0.176 0.000 0.992 122 V HN 0.501 nan 8.190 nan 0.000 0.471 123 V N 5.487 125.470 119.914 0.115 0.000 2.311 123 V HA 0.333 4.453 4.120 -0.000 0.000 0.275 123 V C 0.259 176.385 176.094 0.052 0.000 1.022 123 V CA -0.434 61.908 62.300 0.069 0.000 0.830 123 V CB 1.332 33.196 31.823 0.068 0.000 1.012 123 V HN 1.066 nan 8.190 nan 0.000 0.452 124 D N 2.057 122.480 120.400 0.038 0.000 2.538 124 D HA 0.012 4.651 4.640 -0.000 0.000 0.231 124 D C 1.083 177.392 176.300 0.016 0.000 1.229 124 D CA 0.193 54.207 54.000 0.023 0.000 0.828 124 D CB 0.399 41.211 40.800 0.021 0.000 1.035 124 D HN 0.550 nan 8.370 nan 0.000 0.495 125 T N -1.805 112.760 114.554 0.019 0.000 3.228 125 T HA 0.346 4.695 4.350 -0.000 0.000 0.278 125 T C 0.611 175.322 174.700 0.018 0.000 1.014 125 T CA -0.554 61.556 62.100 0.016 0.000 0.904 125 T CB -0.318 68.560 68.868 0.016 0.000 1.110 125 T HN 0.006 nan 8.240 nan 0.000 0.541 126 L N 1.910 123.145 121.223 0.020 0.000 2.467 126 L HA 0.332 4.672 4.340 -0.000 0.000 0.270 126 L C 1.132 178.012 176.870 0.017 0.000 1.205 126 L CA -0.531 54.323 54.840 0.024 0.000 0.828 126 L CB 0.485 42.561 42.059 0.028 0.000 1.101 126 L HN 0.233 nan 8.230 nan 0.000 0.479 127 S N 1.886 117.599 115.700 0.021 0.000 2.558 127 S HA 0.075 4.545 4.470 -0.000 0.000 0.288 127 S C -1.411 173.196 174.600 0.012 0.000 1.318 127 S CA -1.010 57.201 58.200 0.017 0.000 1.056 127 S CB 0.721 63.934 63.200 0.023 0.000 0.853 127 S HN 0.405 nan 8.310 nan 0.000 0.505 128 P HA -0.089 nan 4.420 nan 0.000 0.220 128 P C 1.391 178.692 177.300 0.003 0.000 1.144 128 P CA 1.364 64.462 63.100 -0.004 0.000 0.800 128 P CB -0.228 31.469 31.700 -0.005 0.000 0.772 129 T N -5.390 109.174 114.554 0.017 0.000 3.055 129 T HA 0.057 4.407 4.350 -0.000 0.000 0.265 129 T C 1.013 175.746 174.700 0.054 0.000 1.111 129 T CA 0.169 62.288 62.100 0.031 0.000 1.118 129 T CB -0.665 68.223 68.868 0.032 0.000 0.909 129 T HN -0.091 nan 8.240 nan 0.000 0.501 130 S N 1.569 117.303 115.700 0.056 0.000 2.549 130 S HA 0.274 4.744 4.470 -0.000 0.000 0.279 130 S C -0.527 174.148 174.600 0.125 0.000 1.321 130 S CA -0.999 57.260 58.200 0.099 0.000 1.054 130 S CB 0.072 63.324 63.200 0.087 0.000 0.899 130 S HN 0.593 nan 8.310 nan 0.000 0.497 131 W N 3.445 124.752 121.300 0.012 0.000 2.264 131 W HA 0.149 4.809 4.660 -0.000 0.000 0.331 131 W C 0.045 176.578 176.519 0.023 0.000 1.364 131 W CA 0.376 57.728 57.345 0.011 0.000 1.253 131 W CB 0.381 29.846 29.460 0.010 0.000 1.215 131 W HN 0.386 nan 8.180 nan 0.000 0.561 132 Q N 4.425 123.826 119.800 -0.665 0.000 2.315 132 Q HA 0.468 4.808 4.340 -0.000 0.000 0.273 132 Q C -0.475 174.784 176.000 -1.235 0.000 1.053 132 Q CA -0.707 54.704 55.803 -0.653 0.000 0.817 132 Q CB 1.901 30.459 28.738 -0.300 0.000 1.326 132 Q HN 0.615 nan 8.270 nan 0.000 0.423 133 A N 1.200 123.491 122.820 -0.881 0.000 2.366 133 A HA 0.364 4.683 4.320 -0.000 0.000 0.249 133 A C 0.739 178.132 177.584 -0.319 0.000 1.084 133 A CA -0.023 51.694 52.037 -0.533 0.000 0.794 133 A CB 0.423 19.437 19.000 0.022 0.000 1.034 133 A HN 0.701 nan 8.150 nan 0.000 0.491 134 S N -0.586 114.965 115.700 -0.248 0.000 2.575 134 S HA 0.154 4.624 4.470 -0.000 0.000 0.215 134 S C 0.635 175.117 174.600 -0.198 0.000 0.966 134 S CA 0.713 58.787 58.200 -0.210 0.000 0.911 134 S CB -0.361 62.743 63.200 -0.160 0.000 0.780 134 S HN 1.114 nan 8.310 nan 0.000 0.514 135 T N -1.572 112.892 114.554 -0.150 0.000 2.864 135 T HA 0.608 4.958 4.350 -0.000 0.000 0.299 135 T C -0.803 173.835 174.700 -0.103 0.000 1.166 135 T CA -0.744 61.278 62.100 -0.131 0.000 1.007 135 T CB 0.693 69.583 68.868 0.038 0.000 1.219 135 T HN -0.088 nan 8.240 nan 0.000 0.506 136 F N 3.372 123.393 119.950 0.119 0.000 2.661 136 F HA 0.353 4.880 4.527 -0.000 0.000 0.356 136 F C 0.550 176.385 175.800 0.059 0.000 1.244 136 F CA -1.793 56.237 58.000 0.049 0.000 1.290 136 F CB -1.153 37.849 39.000 0.004 0.000 1.677 136 F HN 0.564 nan 8.300 nan 0.000 0.649 137 F N -1.004 119.038 119.950 0.153 0.000 2.399 137 F HA 0.519 5.045 4.527 -0.000 0.000 0.313 137 F C 0.039 175.909 175.800 0.117 0.000 1.202 137 F CA -1.645 56.426 58.000 0.118 0.000 1.192 137 F CB -0.202 38.858 39.000 0.099 0.000 1.256 137 F HN -0.183 nan 8.300 nan 0.000 0.558 138 V N 2.889 122.926 119.914 0.205 0.000 2.425 138 V HA 0.235 4.355 4.120 -0.000 0.000 0.276 138 V C 0.187 176.277 176.094 -0.008 0.000 1.017 138 V CA 0.136 62.478 62.300 0.070 0.000 1.062 138 V CB -0.867 31.029 31.823 0.123 0.000 0.997 138 V HN 0.720 nan 8.190 nan 0.000 0.476 139 R N 3.759 124.161 120.500 -0.164 0.000 2.771 139 R HA 0.446 4.785 4.340 -0.000 0.000 0.274 139 R C 0.091 176.335 176.300 -0.092 0.000 0.987 139 R CA -0.955 55.007 56.100 -0.231 0.000 0.908 139 R CB 1.375 31.395 30.300 -0.468 0.000 1.213 139 R HN 0.680 nan 8.270 nan 0.000 0.468 140 N N 0.789 119.462 118.700 -0.044 0.000 2.721 140 N HA -0.197 4.542 4.740 -0.000 0.000 0.249 140 N C 0.465 175.963 175.510 -0.021 0.000 1.072 140 N CA 1.560 54.593 53.050 -0.027 0.000 0.710 140 N CB -1.163 37.302 38.487 -0.038 0.000 0.993 140 N HN 1.071 nan 8.380 nan 0.000 0.547 141 G N -1.616 107.178 108.800 -0.010 0.000 2.155 141 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.257 141 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.257 141 G C 0.328 175.221 174.900 -0.011 0.000 0.983 141 G CA 0.974 46.071 45.100 -0.005 0.000 0.676 141 G HN 1.334 nan 8.290 nan 0.000 0.528 142 S N -0.651 115.036 115.700 -0.022 0.000 2.579 142 S HA 0.423 4.892 4.470 -0.000 0.000 0.275 142 S C 0.187 174.774 174.600 -0.021 0.000 1.345 142 S CA 0.065 58.249 58.200 -0.027 0.000 1.031 142 S CB 1.708 64.883 63.200 -0.041 0.000 0.892 142 S HN 0.664 nan 8.310 nan 0.000 0.529 143 N N 2.333 121.014 118.700 -0.033 0.000 2.485 143 N HA 0.353 5.093 4.740 -0.000 0.000 0.243 143 N C -1.593 173.898 175.510 -0.032 0.000 0.987 143 N CA -2.549 50.474 53.050 -0.046 0.000 0.940 143 N CB 1.199 39.630 38.487 -0.094 0.000 1.122 143 N HN 0.379 nan 8.380 nan 0.000 0.509 144 P HA -0.049 nan 4.420 nan 0.000 0.230 144 P C 0.259 177.577 177.300 0.031 0.000 1.158 144 P CA 0.820 63.934 63.100 0.023 0.000 0.769 144 P CB 0.550 32.279 31.700 0.049 0.000 0.807 145 E N -0.143 120.060 120.200 0.004 0.000 2.347 145 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 145 E C 0.903 177.500 176.600 -0.005 0.000 1.008 145 E CA 0.596 57.015 56.400 0.031 0.000 0.852 145 E CB -0.152 29.496 29.700 -0.086 0.000 0.783 145 E HN 0.307 nan 8.360 nan 0.000 0.505 146 Q N 2.243 122.008 119.800 -0.058 0.000 2.307 146 Q HA 0.030 4.369 4.340 -0.000 0.000 0.259 146 Q C -0.832 175.173 176.000 0.008 0.000 0.998 146 Q CA -0.184 55.585 55.803 -0.057 0.000 0.923 146 Q CB 0.738 29.432 28.738 -0.074 0.000 1.196 146 Q HN -0.191 nan 8.270 nan 0.000 0.416 147 D N 6.077 126.503 120.400 0.043 0.000 2.358 147 D HA 0.041 4.681 4.640 -0.000 0.000 0.258 147 D C -1.669 174.649 176.300 0.029 0.000 1.223 147 D CA -1.782 52.245 54.000 0.047 0.000 0.886 147 D CB 1.266 42.108 40.800 0.070 0.000 1.120 147 D HN 0.441 nan 8.370 nan 0.000 0.482 148 P HA -0.085 nan 4.420 nan 0.000 0.226 148 P C 1.273 178.578 177.300 0.007 0.000 1.153 148 P CA 0.656 63.756 63.100 0.000 0.000 0.777 148 P CB 0.366 32.054 31.700 -0.019 0.000 0.794 149 L N -1.201 120.030 121.223 0.014 0.000 2.607 149 L HA 0.183 4.523 4.340 -0.000 0.000 0.228 149 L C 1.581 178.466 176.870 0.027 0.000 1.123 149 L CA 0.230 55.079 54.840 0.015 0.000 0.890 149 L CB -0.131 41.933 42.059 0.009 0.000 1.103 149 L HN -0.166 nan 8.230 nan 0.000 0.468 150 R N -0.167 120.359 120.500 0.043 0.000 2.734 150 R HA 0.212 4.551 4.340 -0.000 0.000 0.395 150 R C -0.395 175.966 176.300 0.101 0.000 1.096 150 R CA -0.260 55.878 56.100 0.063 0.000 1.071 150 R CB 0.313 30.652 30.300 0.065 0.000 1.348 150 R HN 0.050 nan 8.270 nan 0.000 0.600 151 N N 0.632 119.370 118.700 0.064 0.000 2.459 151 N HA 0.357 5.097 4.740 -0.000 0.000 0.288 151 N C -0.690 174.746 175.510 -0.124 0.000 1.186 151 N CA -0.599 52.476 53.050 0.041 0.000 0.917 151 N CB 1.192 39.698 38.487 0.032 0.000 1.219 151 N HN 0.080 nan 8.380 nan 0.000 0.525 152 L N 2.122 123.115 121.223 -0.382 0.000 2.417 152 L HA 0.213 4.553 4.340 -0.000 0.000 0.258 152 L C 1.455 178.150 176.870 -0.292 0.000 1.088 152 L CA -0.302 54.183 54.840 -0.591 0.000 0.975 152 L CB 0.446 41.758 42.059 -1.245 0.000 1.341 152 L HN 0.646 nan 8.230 nan 0.000 0.431 153 S N -0.049 115.572 115.700 -0.131 0.000 2.419 153 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 153 S C 1.802 176.371 174.600 -0.053 0.000 1.016 153 S CA 1.073 59.241 58.200 -0.053 0.000 0.974 153 S CB -0.209 62.972 63.200 -0.032 0.000 0.786 153 S HN 0.646 nan 8.310 nan 0.000 0.492 154 G N 0.504 109.256 108.800 -0.080 0.000 2.712 154 G HA2 0.074 4.033 3.960 -0.000 0.000 0.212 154 G HA3 0.074 4.033 3.960 -0.000 0.000 0.212 154 G C 0.600 175.468 174.900 -0.054 0.000 1.142 154 G CA -0.253 44.812 45.100 -0.058 0.000 0.789 154 G HN 0.371 nan 8.290 nan 0.000 0.535 155 Q N 0.573 120.317 119.800 -0.094 0.000 2.330 155 Q HA 0.484 4.824 4.340 -0.000 0.000 0.279 155 Q C -0.083 175.941 176.000 0.040 0.000 1.024 155 Q CA 0.345 56.121 55.803 -0.045 0.000 0.900 155 Q CB 1.320 29.997 28.738 -0.101 0.000 1.221 155 Q HN 0.298 nan 8.270 nan 0.000 0.396 156 A N 1.952 124.803 122.820 0.052 0.000 2.609 156 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 156 A C -1.042 176.590 177.584 0.080 0.000 1.096 156 A CA -0.495 51.579 52.037 0.062 0.000 0.684 156 A CB 1.345 20.367 19.000 0.038 0.000 1.282 156 A HN 0.496 nan 8.150 nan 0.000 0.412 157 V N -1.960 118.012 119.914 0.097 0.000 3.001 157 V HA 0.956 5.076 4.120 -0.000 0.000 0.314 157 V C -0.511 175.668 176.094 0.142 0.000 1.099 157 V CA -0.504 61.873 62.300 0.128 0.000 0.989 157 V CB 1.668 33.593 31.823 0.169 0.000 1.040 157 V HN 0.917 nan 8.190 nan 0.000 0.434 158 T N 2.931 117.574 114.554 0.149 0.000 2.812 158 T HA 0.581 4.931 4.350 -0.000 0.000 0.282 158 T C -0.352 174.407 174.700 0.099 0.000 0.990 158 T CA -0.465 61.715 62.100 0.134 0.000 0.960 158 T CB 1.101 70.078 68.868 0.180 0.000 0.948 158 T HN 0.773 nan 8.240 nan 0.000 0.438 159 R N 2.572 123.118 120.500 0.076 0.000 2.396 159 R HA 0.599 4.939 4.340 -0.000 0.000 0.292 159 R C -0.731 175.592 176.300 0.038 0.000 1.240 159 R CA -0.607 55.510 56.100 0.028 0.000 1.270 159 R CB 0.823 31.113 30.300 -0.017 0.000 1.108 159 R HN 0.531 nan 8.270 nan 0.000 0.573 160 V N -1.688 118.248 119.914 0.037 0.000 3.120 160 V HA 0.409 4.529 4.120 -0.000 0.000 0.303 160 V C -0.057 176.057 176.094 0.032 0.000 1.238 160 V CA -1.157 61.169 62.300 0.042 0.000 1.008 160 V CB 1.925 33.783 31.823 0.058 0.000 1.064 160 V HN 0.144 nan 8.190 nan 0.000 0.434 161 V N 3.642 123.577 119.914 0.035 0.000 2.557 161 V HA 0.467 4.587 4.120 -0.000 0.000 0.301 161 V C 1.802 177.915 176.094 0.032 0.000 1.026 161 V CA 1.930 64.251 62.300 0.034 0.000 1.137 161 V CB 0.046 31.891 31.823 0.038 0.000 0.917 161 V HN 2.196 nan 8.190 nan 0.000 0.484 162 G N 3.195 112.009 108.800 0.024 0.000 2.195 162 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.246 162 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.246 162 G C 1.026 175.904 174.900 -0.037 0.000 0.984 162 G CA 0.354 45.456 45.100 0.004 0.000 0.633 162 G HN 2.128 nan 8.290 nan 0.000 0.525 163 G N 0.168 108.956 108.800 -0.019 0.000 2.602 163 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.306 163 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.306 163 G C 1.216 176.062 174.900 -0.090 0.000 1.301 163 G CA 1.386 46.468 45.100 -0.031 0.000 0.974 163 G HN 1.114 nan 8.290 nan 0.000 0.547 164 M N 1.588 121.096 119.600 -0.154 0.000 2.557 164 M HA 0.010 4.489 4.480 -0.000 0.000 0.259 164 M C 2.679 178.645 176.300 -0.557 0.000 1.086 164 M CA 1.630 56.700 55.300 -0.383 0.000 1.096 164 M CB -0.187 32.271 32.600 -0.237 0.000 1.424 164 M HN 0.686 nan 8.290 nan 0.000 0.488 165 S N -0.415 115.009 115.700 -0.460 0.000 2.555 165 S HA -0.067 4.402 4.470 -0.000 0.000 0.230 165 S C 1.713 176.191 174.600 -0.204 0.000 0.978 165 S CA 1.154 58.986 58.200 -0.612 0.000 0.934 165 S CB -0.928 61.927 63.200 -0.576 0.000 0.766 165 S HN 0.577 nan 8.310 nan 0.000 0.533 166 T N -0.635 113.798 114.554 -0.201 0.000 3.085 166 T HA -0.001 4.349 4.350 -0.000 0.000 0.263 166 T C 1.391 175.932 174.700 -0.264 0.000 1.127 166 T CA 0.945 62.953 62.100 -0.154 0.000 1.103 166 T CB -0.690 68.180 68.868 0.004 0.000 0.921 166 T HN 0.910 nan 8.240 nan 0.000 0.510 167 H N -2.003 116.987 119.070 -0.134 0.000 3.680 167 H HA 0.197 4.752 4.556 -0.000 0.000 0.260 167 H C 0.545 176.069 175.328 0.327 0.000 1.183 167 H CA -1.020 55.092 56.048 0.107 0.000 1.159 167 H CB -0.486 29.352 29.762 0.126 0.000 1.567 167 H HN 0.484 nan 8.280 nan 0.000 0.648 168 W N 2.894 124.122 121.300 -0.121 0.000 2.089 168 W HA 0.256 4.915 4.660 -0.000 0.000 0.355 168 W C -0.049 176.557 176.519 0.144 0.000 1.305 168 W CA 0.059 57.435 57.345 0.051 0.000 1.281 168 W CB -0.189 29.231 29.460 -0.067 0.000 1.183 168 W HN -0.163 nan 8.180 nan 0.000 0.604 169 T N 0.941 115.440 114.554 -0.092 0.000 3.088 169 T HA 0.001 4.350 4.350 -0.000 0.000 0.259 169 T C 1.013 175.281 174.700 -0.720 0.000 1.122 169 T CA 1.066 62.952 62.100 -0.357 0.000 1.095 169 T CB -0.542 68.277 68.868 -0.081 0.000 0.930 169 T HN 0.669 nan 8.240 nan 0.000 0.508 170 C N 1.016 119.532 119.300 -1.308 0.000 4.552 170 C HA -0.095 4.365 4.460 -0.000 0.000 0.268 170 C C 1.095 175.593 174.990 -0.820 0.000 1.288 170 C CA -0.771 57.213 59.018 -1.724 0.000 1.776 170 C CB -2.716 24.458 27.740 -0.945 0.000 1.415 170 C HN 0.773 nan 8.230 nan 0.000 0.729 171 A N 1.086 123.619 122.820 -0.478 0.000 2.354 171 A HA 0.584 4.904 4.320 -0.000 0.000 0.281 171 A C 0.749 178.245 177.584 -0.147 0.000 1.174 171 A CA 1.053 52.961 52.037 -0.216 0.000 0.828 171 A CB 0.207 19.136 19.000 -0.118 0.000 1.099 171 A HN 1.391 nan 8.150 nan 0.000 0.516 172 T N 1.523 116.013 114.554 -0.107 0.000 3.410 172 T HA 0.529 4.878 4.350 -0.000 0.000 0.328 172 T C -2.779 171.881 174.700 -0.066 0.000 1.567 172 T CA -1.514 60.565 62.100 -0.036 0.000 1.626 172 T CB 0.592 69.473 68.868 0.021 0.000 0.939 172 T HN 0.431 nan 8.240 nan 0.000 0.656 173 P HA 0.405 nan 4.420 nan 0.000 0.279 173 P C -0.171 177.001 177.300 -0.213 0.000 1.252 173 P CA -0.669 62.337 63.100 -0.157 0.000 0.811 173 P CB 1.089 32.662 31.700 -0.211 0.000 1.035 174 R N 0.806 121.096 120.500 -0.349 0.000 2.582 174 R HA 0.367 4.706 4.340 -0.000 0.000 0.271 174 R C 0.016 176.205 176.300 -0.185 0.000 1.078 174 R CA -0.387 55.322 56.100 -0.651 0.000 1.127 174 R CB 0.136 29.913 30.300 -0.872 0.000 1.038 174 R HN 0.375 nan 8.270 nan 0.000 0.500 175 F N 2.176 121.901 119.950 -0.375 0.000 2.412 175 F HA 0.045 4.572 4.527 -0.000 0.000 0.348 175 F C 1.020 176.641 175.800 -0.298 0.000 1.102 175 F CA -1.507 56.304 58.000 -0.315 0.000 1.196 175 F CB 0.233 39.045 39.000 -0.313 0.000 1.144 175 F HN 0.543 nan 8.300 nan 0.000 0.541 176 D N 2.705 123.037 120.400 -0.114 0.000 2.398 176 D HA 0.120 4.760 4.640 -0.000 0.000 0.247 176 D C 1.082 177.302 176.300 -0.132 0.000 1.227 176 D CA -0.426 53.508 54.000 -0.111 0.000 0.980 176 D CB 0.595 41.343 40.800 -0.087 0.000 1.106 176 D HN 0.463 nan 8.370 nan 0.000 0.493 177 R N -0.164 120.282 120.500 -0.090 0.000 2.096 177 R HA -0.180 4.160 4.340 -0.000 0.000 0.240 177 R C 2.067 178.317 176.300 -0.084 0.000 1.139 177 R CA 1.686 57.739 56.100 -0.078 0.000 0.952 177 R CB -0.299 29.987 30.300 -0.023 0.000 0.854 177 R HN 0.632 nan 8.270 nan 0.000 0.436 178 E N 0.402 120.552 120.200 -0.084 0.000 2.171 178 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 178 E C 1.756 178.261 176.600 -0.159 0.000 0.997 178 E CA 1.279 57.635 56.400 -0.073 0.000 0.810 178 E CB 0.085 29.777 29.700 -0.012 0.000 0.738 178 E HN 0.447 nan 8.360 nan 0.000 0.467 179 Q N -0.587 119.029 119.800 -0.307 0.000 2.356 179 Q HA 0.109 4.449 4.340 -0.000 0.000 0.205 179 Q C 0.448 176.360 176.000 -0.147 0.000 0.901 179 Q CA -0.106 55.450 55.803 -0.412 0.000 0.938 179 Q CB 0.672 28.874 28.738 -0.893 0.000 1.081 179 Q HN -0.053 nan 8.270 nan 0.000 0.517 180 R N 2.058 122.507 120.500 -0.086 0.000 2.393 180 R HA 0.294 4.634 4.340 -0.000 0.000 0.310 180 R C -2.556 173.712 176.300 -0.052 0.000 0.968 180 R CA -2.116 53.919 56.100 -0.108 0.000 0.867 180 R CB 0.971 31.033 30.300 -0.396 0.000 1.124 180 R HN -0.126 nan 8.270 nan 0.000 0.450 181 P HA 0.015 nan 4.420 nan 0.000 0.272 181 P C -0.588 176.874 177.300 0.271 0.000 1.223 181 P CA -0.055 63.130 63.100 0.142 0.000 0.784 181 P CB 0.605 32.412 31.700 0.178 0.000 0.923 182 L N 2.665 124.015 121.223 0.211 0.000 2.367 182 L HA 0.160 4.499 4.340 -0.000 0.000 0.275 182 L C 1.573 178.606 176.870 0.271 0.000 1.129 182 L CA -0.137 54.897 54.840 0.324 0.000 0.839 182 L CB 0.227 42.523 42.059 0.394 0.000 1.133 182 L HN 0.361 nan 8.230 nan 0.000 0.453 183 L N 3.868 125.303 121.223 0.353 0.000 2.609 183 L HA 0.214 4.554 4.340 -0.000 0.000 0.230 183 L C -0.272 176.791 176.870 0.321 0.000 1.087 183 L CA 0.164 55.102 54.840 0.164 0.000 0.874 183 L CB 0.728 42.670 42.059 -0.194 0.000 1.114 183 L HN 0.320 nan 8.230 nan 0.000 0.488 184 V N 1.011 121.119 119.914 0.324 0.000 2.525 184 V HA 0.224 4.344 4.120 -0.000 0.000 0.299 184 V C -0.460 175.723 176.094 0.147 0.000 1.034 184 V CA -1.038 61.374 62.300 0.186 0.000 0.863 184 V CB 1.759 33.642 31.823 0.100 0.000 0.999 184 V HN 0.181 nan 8.190 nan 0.000 0.423 185 K N 2.522 122.877 120.400 -0.074 0.000 2.185 185 K HA 0.486 4.806 4.320 -0.000 0.000 0.271 185 K C -0.213 176.351 176.600 -0.060 0.000 1.013 185 K CA -0.601 55.607 56.287 -0.132 0.000 0.943 185 K CB 0.582 32.822 32.500 -0.432 0.000 0.998 185 K HN 0.571 nan 8.250 nan 0.000 0.468 186 D N 0.850 121.239 120.400 -0.018 0.000 2.751 186 D HA -0.168 4.471 4.640 -0.000 0.000 0.233 186 D C -0.866 175.440 176.300 0.009 0.000 1.149 186 D CA 1.485 55.482 54.000 -0.005 0.000 0.682 186 D CB -0.716 40.068 40.800 -0.028 0.000 1.068 186 D HN 0.755 nan 8.370 nan 0.000 0.429 187 D N -1.452 118.967 120.400 0.030 0.000 2.362 187 D HA 0.382 5.021 4.640 -0.000 0.000 0.232 187 D C 0.817 177.154 176.300 0.061 0.000 1.329 187 D CA 0.171 54.193 54.000 0.037 0.000 0.944 187 D CB 0.508 41.325 40.800 0.027 0.000 1.471 187 D HN -0.022 nan 8.370 nan 0.000 0.533 188 A N 2.577 125.434 122.820 0.061 0.000 1.933 188 A HA -0.141 4.178 4.320 -0.000 0.000 0.218 188 A C 1.584 179.216 177.584 0.081 0.000 1.175 188 A CA 1.364 53.447 52.037 0.076 0.000 0.628 188 A CB 0.030 19.066 19.000 0.060 0.000 0.814 188 A HN 0.455 nan 8.150 nan 0.000 0.444 189 D N -0.028 120.409 120.400 0.063 0.000 2.149 189 D HA 0.039 4.679 4.640 -0.000 0.000 0.201 189 D C 2.205 178.546 176.300 0.067 0.000 0.972 189 D CA 1.297 55.333 54.000 0.061 0.000 0.835 189 D CB -0.379 40.448 40.800 0.044 0.000 0.966 189 D HN 0.417 nan 8.370 nan 0.000 0.476 190 A N 0.966 123.822 122.820 0.061 0.000 1.898 190 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 190 A C 1.972 179.604 177.584 0.080 0.000 1.181 190 A CA 1.953 54.023 52.037 0.056 0.000 0.620 190 A CB -0.576 18.449 19.000 0.042 0.000 0.819 190 A HN 0.157 nan 8.150 nan 0.000 0.442 191 D N -0.282 120.190 120.400 0.120 0.000 2.097 191 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 191 D C 1.310 177.776 176.300 0.277 0.000 0.989 191 D CA 1.570 55.691 54.000 0.201 0.000 0.827 191 D CB -0.149 40.794 40.800 0.239 0.000 0.966 191 D HN 0.342 nan 8.370 nan 0.000 0.456 192 D N -0.196 120.331 120.400 0.211 0.000 2.092 192 D HA -0.142 4.498 4.640 -0.000 0.000 0.193 192 D C 2.010 178.422 176.300 0.186 0.000 0.994 192 D CA 1.661 55.784 54.000 0.205 0.000 0.828 192 D CB -0.663 40.213 40.800 0.127 0.000 0.963 192 D HN 0.320 nan 8.370 nan 0.000 0.450 193 A N 0.549 123.440 122.820 0.118 0.000 1.902 193 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 193 A C 2.141 179.757 177.584 0.054 0.000 1.181 193 A CA 2.036 54.120 52.037 0.079 0.000 0.623 193 A CB -0.583 18.445 19.000 0.047 0.000 0.818 193 A HN 0.213 nan 8.150 nan 0.000 0.443 194 E N -0.854 119.360 120.200 0.023 0.000 2.031 194 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 194 E C 1.699 178.210 176.600 -0.149 0.000 0.994 194 E CA 1.646 57.989 56.400 -0.096 0.000 0.800 194 E CB -0.485 29.113 29.700 -0.170 0.000 0.752 194 E HN 0.715 nan 8.360 nan 0.000 0.447 195 W N 0.863 122.132 121.300 -0.053 0.000 2.338 195 W HA -0.154 4.506 4.660 -0.000 0.000 0.304 195 W C 2.236 178.753 176.519 -0.003 0.000 1.212 195 W CA 1.268 58.550 57.345 -0.105 0.000 1.264 195 W CB -0.499 28.943 29.460 -0.031 0.000 1.142 195 W HN 0.256 nan 8.180 nan 0.000 0.512 196 D N 0.009 120.586 120.400 0.296 0.000 2.116 196 D HA -0.239 4.401 4.640 -0.000 0.000 0.193 196 D C 2.143 178.519 176.300 0.128 0.000 0.998 196 D CA 1.738 55.872 54.000 0.223 0.000 0.836 196 D CB -0.266 40.621 40.800 0.145 0.000 0.951 196 D HN -0.018 nan 8.370 nan 0.000 0.449 197 R N -0.353 120.173 120.500 0.043 0.000 2.080 197 R HA -0.107 4.233 4.340 -0.000 0.000 0.236 197 R C 2.546 178.808 176.300 -0.064 0.000 1.137 197 R CA 1.293 57.381 56.100 -0.020 0.000 0.943 197 R CB -0.365 29.902 30.300 -0.056 0.000 0.846 197 R HN 0.262 nan 8.270 nan 0.000 0.431 198 L N -0.573 120.577 121.223 -0.122 0.000 2.017 198 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 198 L C 2.404 179.208 176.870 -0.110 0.000 1.073 198 L CA 1.255 55.971 54.840 -0.207 0.000 0.745 198 L CB -0.638 41.190 42.059 -0.385 0.000 0.894 198 L HN 0.221 nan 8.230 nan 0.000 0.432 199 Y N 0.370 120.677 120.300 0.011 0.000 2.181 199 Y HA -0.235 4.314 4.550 -0.000 0.000 0.288 199 Y C 2.891 178.775 175.900 -0.026 0.000 1.146 199 Y CA 1.556 59.671 58.100 0.025 0.000 1.164 199 Y CB -1.166 37.340 38.460 0.076 0.000 0.982 199 Y HN 0.138 nan 8.280 nan 0.000 0.515 200 T N -0.263 114.366 114.554 0.125 0.000 2.720 200 T HA -0.222 4.127 4.350 -0.000 0.000 0.268 200 T C 1.990 176.659 174.700 -0.052 0.000 1.037 200 T CA 1.736 63.859 62.100 0.038 0.000 1.144 200 T CB -0.161 68.721 68.868 0.024 0.000 0.864 200 T HN 0.243 nan 8.240 nan 0.000 0.444 201 K N 0.739 121.051 120.400 -0.146 0.000 2.062 201 K HA 0.044 4.363 4.320 -0.000 0.000 0.205 201 K C 2.588 178.871 176.600 -0.529 0.000 1.051 201 K CA 0.996 57.068 56.287 -0.358 0.000 0.941 201 K CB -0.294 31.947 32.500 -0.432 0.000 0.719 201 K HN 0.258 nan 8.250 nan 0.000 0.440 202 A N 1.647 124.271 122.820 -0.326 0.000 1.892 202 A HA -0.248 4.071 4.320 -0.000 0.000 0.218 202 A C 1.844 179.448 177.584 0.034 0.000 1.188 202 A CA 2.007 53.940 52.037 -0.173 0.000 0.631 202 A CB -0.636 18.372 19.000 0.013 0.000 0.822 202 A HN 0.489 nan 8.150 nan 0.000 0.447 203 E N 0.077 120.335 120.200 0.096 0.000 2.118 203 E HA -0.192 4.157 4.350 -0.000 0.000 0.195 203 E C 2.359 179.041 176.600 0.136 0.000 0.992 203 E CA 1.603 58.096 56.400 0.155 0.000 0.804 203 E CB -0.247 29.516 29.700 0.105 0.000 0.741 203 E HN 0.816 nan 8.360 nan 0.000 0.458 204 S N 0.128 115.856 115.700 0.047 0.000 2.383 204 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 204 S C 1.937 176.666 174.600 0.213 0.000 1.026 204 S CA 0.704 58.957 58.200 0.088 0.000 0.981 204 S CB -0.404 62.816 63.200 0.034 0.000 0.818 204 S HN 0.207 nan 8.310 nan 0.000 0.472 205 Y N 0.529 120.841 120.300 0.020 0.000 2.224 205 Y HA 0.122 4.671 4.550 -0.000 0.000 0.289 205 Y C 2.028 177.946 175.900 0.029 0.000 1.146 205 Y CA -0.031 58.044 58.100 -0.042 0.000 1.182 205 Y CB -1.038 37.311 38.460 -0.185 0.000 0.983 205 Y HN 0.317 nan 8.280 nan 0.000 0.524 206 F N 0.086 120.192 119.950 0.261 0.000 2.743 206 F HA 0.047 4.574 4.527 -0.000 0.000 0.297 206 F C 0.815 176.730 175.800 0.192 0.000 1.131 206 F CA 0.195 58.339 58.000 0.241 0.000 1.426 206 F CB -0.248 38.916 39.000 0.273 0.000 1.116 206 F HN -0.016 nan 8.300 nan 0.000 0.583 207 Q N 0.529 120.525 119.800 0.327 0.000 2.470 207 Q HA -0.184 4.156 4.340 -0.000 0.000 0.294 207 Q C 0.021 176.114 176.000 0.155 0.000 1.356 207 Q CA 0.726 56.646 55.803 0.195 0.000 0.805 207 Q CB -2.692 26.137 28.738 0.152 0.000 1.157 207 Q HN 0.213 nan 8.270 nan 0.000 0.431 208 T N 0.087 114.746 114.554 0.175 0.000 2.888 208 T HA 0.446 4.795 4.350 -0.000 0.000 0.301 208 T C 0.783 175.520 174.700 0.062 0.000 1.001 208 T CA 0.607 62.774 62.100 0.112 0.000 1.147 208 T CB 1.272 70.214 68.868 0.124 0.000 0.931 208 T HN 0.487 nan 8.240 nan 0.000 0.541 209 G N 0.777 109.597 108.800 0.034 0.000 2.695 209 G HA2 0.560 4.520 3.960 -0.000 0.000 0.290 209 G HA3 0.560 4.520 3.960 -0.000 0.000 0.290 209 G C -0.002 174.911 174.900 0.021 0.000 1.410 209 G CA -0.645 44.466 45.100 0.018 0.000 0.844 209 G HN 0.618 nan 8.290 nan 0.000 0.478 210 T N -2.304 112.263 114.554 0.022 0.000 3.393 210 T HA 0.286 4.636 4.350 -0.000 0.000 0.298 210 T C 0.012 174.733 174.700 0.036 0.000 1.004 210 T CA 0.390 62.513 62.100 0.039 0.000 0.956 210 T CB 0.364 69.260 68.868 0.046 0.000 1.182 210 T HN 0.500 nan 8.240 nan 0.000 0.497 211 D N 0.148 120.549 120.400 0.002 0.000 2.520 211 D HA 0.061 4.701 4.640 -0.000 0.000 0.223 211 D C 1.283 177.522 176.300 -0.101 0.000 1.186 211 D CA -0.073 53.908 54.000 -0.032 0.000 0.821 211 D CB -0.051 40.723 40.800 -0.042 0.000 1.072 211 D HN 0.275 nan 8.370 nan 0.000 0.518 212 Q N -0.440 119.295 119.800 -0.109 0.000 2.436 212 Q HA 0.185 4.525 4.340 -0.000 0.000 0.209 212 Q C 0.236 175.864 176.000 -0.621 0.000 0.965 212 Q CA 0.816 56.424 55.803 -0.326 0.000 0.910 212 Q CB -0.202 28.324 28.738 -0.354 0.000 0.980 212 Q HN 0.273 nan 8.270 nan 0.000 0.491 213 F N -0.161 119.634 119.950 -0.258 0.000 2.735 213 F HA 0.228 4.755 4.527 -0.000 0.000 0.308 213 F C 1.223 176.841 175.800 -0.303 0.000 1.112 213 F CA -0.552 57.254 58.000 -0.324 0.000 1.235 213 F CB 0.391 39.114 39.000 -0.463 0.000 1.027 213 F HN -0.009 nan 8.300 nan 0.000 0.528 214 K N 0.361 120.689 120.400 -0.120 0.000 2.209 214 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 214 K C 0.701 177.263 176.600 -0.064 0.000 1.048 214 K CA 1.703 57.976 56.287 -0.023 0.000 0.940 214 K CB -0.190 32.273 32.500 -0.063 0.000 0.729 214 K HN 0.328 nan 8.250 nan 0.000 0.451 215 E N 1.550 121.603 120.200 -0.246 0.000 2.496 215 E HA 0.060 4.410 4.350 -0.000 0.000 0.200 215 E C -0.731 175.792 176.600 -0.128 0.000 1.016 215 E CA -0.352 55.723 56.400 -0.541 0.000 0.962 215 E CB 0.954 30.190 29.700 -0.772 0.000 1.071 215 E HN 0.207 nan 8.360 nan 0.000 0.457 216 S N 0.655 116.404 115.700 0.082 0.000 2.505 216 S HA 0.168 4.638 4.470 -0.000 0.000 0.276 216 S C 1.230 175.947 174.600 0.196 0.000 1.274 216 S CA -0.445 57.845 58.200 0.149 0.000 1.053 216 S CB 0.441 63.773 63.200 0.220 0.000 0.919 216 S HN 0.217 nan 8.310 nan 0.000 0.490 217 I N 4.966 125.521 120.570 -0.025 0.000 2.179 217 I HA -0.176 3.994 4.170 -0.000 0.000 0.242 217 I C 2.737 178.718 176.117 -0.227 0.000 1.088 217 I CA 1.166 62.210 61.300 -0.427 0.000 1.357 217 I CB -0.257 37.222 38.000 -0.869 0.000 1.051 217 I HN 0.694 nan 8.210 nan 0.000 0.409 218 R N -0.367 120.078 120.500 -0.092 0.000 2.083 218 R HA -0.243 4.097 4.340 -0.000 0.000 0.237 218 R C 2.401 178.747 176.300 0.078 0.000 1.137 218 R CA 1.920 58.013 56.100 -0.012 0.000 0.951 218 R CB -0.722 29.579 30.300 0.000 0.000 0.851 218 R HN 0.421 nan 8.270 nan 0.000 0.434 219 H N 1.123 120.226 119.070 0.054 0.000 2.289 219 H HA -0.083 4.473 4.556 -0.000 0.000 0.296 219 H C 1.791 177.200 175.328 0.135 0.000 1.091 219 H CA 2.022 58.122 56.048 0.088 0.000 1.274 219 H CB -0.145 29.700 29.762 0.139 0.000 1.364 219 H HN 0.138 nan 8.280 nan 0.000 0.490 220 N N -0.012 118.791 118.700 0.172 0.000 2.244 220 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 220 N C 2.049 177.694 175.510 0.225 0.000 1.016 220 N CA 0.976 54.159 53.050 0.223 0.000 0.866 220 N CB -0.226 38.600 38.487 0.564 0.000 0.980 220 N HN 0.301 nan 8.380 nan 0.000 0.430 221 L N 1.343 122.730 121.223 0.273 0.000 1.989 221 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 221 L C 2.156 179.082 176.870 0.093 0.000 1.071 221 L CA 1.477 56.467 54.840 0.251 0.000 0.749 221 L CB -0.623 41.545 42.059 0.181 0.000 0.890 221 L HN -0.116 nan 8.230 nan 0.000 0.431 222 V N -0.828 119.095 119.914 0.017 0.000 2.323 222 V HA -0.230 3.889 4.120 -0.000 0.000 0.244 222 V C 2.413 178.437 176.094 -0.117 0.000 1.041 222 V CA 1.519 63.795 62.300 -0.040 0.000 1.025 222 V CB -0.658 31.124 31.823 -0.069 0.000 0.656 222 V HN 0.511 nan 8.190 nan 0.000 0.451 223 L N 1.185 122.301 121.223 -0.177 0.000 1.989 223 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 223 L C 2.214 179.014 176.870 -0.116 0.000 1.071 223 L CA 2.144 56.870 54.840 -0.191 0.000 0.749 223 L CB -1.039 40.854 42.059 -0.276 0.000 0.890 223 L HN 0.317 nan 8.230 nan 0.000 0.431 224 N N -0.124 118.550 118.700 -0.043 0.000 2.166 224 N HA -0.213 4.527 4.740 -0.000 0.000 0.186 224 N C 1.838 177.324 175.510 -0.041 0.000 1.019 224 N CA 1.402 54.443 53.050 -0.015 0.000 0.856 224 N CB -0.359 38.139 38.487 0.019 0.000 0.993 224 N HN 0.314 nan 8.380 nan 0.000 0.426 225 K N 1.372 121.745 120.400 -0.046 0.000 2.025 225 K HA 0.066 4.386 4.320 -0.000 0.000 0.207 225 K C 1.958 178.504 176.600 -0.090 0.000 1.049 225 K CA 0.902 57.162 56.287 -0.046 0.000 0.933 225 K CB -0.486 32.007 32.500 -0.012 0.000 0.714 225 K HN 0.121 nan 8.250 nan 0.000 0.438 226 L N 0.147 121.242 121.223 -0.214 0.000 2.056 226 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 226 L C 2.255 178.929 176.870 -0.326 0.000 1.078 226 L CA 1.663 56.242 54.840 -0.435 0.000 0.749 226 L CB -0.831 40.522 42.059 -1.176 0.000 0.901 226 L HN 0.251 nan 8.230 nan 0.000 0.433 227 T N -0.680 113.747 114.554 -0.213 0.000 2.684 227 T HA -0.284 4.066 4.350 -0.000 0.000 0.267 227 T C 1.769 176.523 174.700 0.090 0.000 1.036 227 T CA 1.911 64.052 62.100 0.068 0.000 1.148 227 T CB -0.174 68.737 68.868 0.071 0.000 0.863 227 T HN 0.430 nan 8.240 nan 0.000 0.436 228 E N 0.671 120.884 120.200 0.022 0.000 2.051 228 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 228 E C 2.175 178.777 176.600 0.003 0.000 0.991 228 E CA 1.078 57.484 56.400 0.011 0.000 0.799 228 E CB -0.001 29.688 29.700 -0.019 0.000 0.748 228 E HN 0.363 nan 8.360 nan 0.000 0.449 229 E N -0.337 119.851 120.200 -0.021 0.000 2.153 229 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 229 E C 1.040 177.511 176.600 -0.214 0.000 0.988 229 E CA 1.037 57.358 56.400 -0.132 0.000 0.811 229 E CB -0.076 29.512 29.700 -0.187 0.000 0.746 229 E HN 0.509 nan 8.360 nan 0.000 0.466 230 Y N 0.445 120.783 120.300 0.064 0.000 2.658 230 Y HA 0.196 4.745 4.550 -0.000 0.000 0.276 230 Y C 0.403 176.370 175.900 0.111 0.000 1.167 230 Y CA -0.424 57.753 58.100 0.129 0.000 1.230 230 Y CB 0.298 38.931 38.460 0.288 0.000 1.144 230 Y HN -0.311 nan 8.280 nan 0.000 0.529 231 K N 0.845 121.343 120.400 0.163 0.000 2.477 231 K HA -0.021 4.298 4.320 -0.000 0.000 0.275 231 K C 1.188 177.848 176.600 0.099 0.000 1.054 231 K CA 1.420 57.774 56.287 0.112 0.000 1.135 231 K CB -0.159 32.374 32.500 0.055 0.000 0.854 231 K HN 0.712 nan 8.250 nan 0.000 0.484 232 G N 2.888 111.747 108.800 0.099 0.000 2.179 232 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 232 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 232 G C 0.584 175.539 174.900 0.092 0.000 0.977 232 G CA 0.699 45.846 45.100 0.078 0.000 0.641 232 G HN 0.718 nan 8.290 nan 0.000 0.533 233 Q N -1.510 118.372 119.800 0.137 0.000 2.577 233 Q HA 0.260 4.600 4.340 -0.000 0.000 0.242 233 Q C 1.053 177.138 176.000 0.142 0.000 0.818 233 Q CA 0.120 56.014 55.803 0.151 0.000 0.962 233 Q CB 1.035 29.899 28.738 0.210 0.000 1.272 233 Q HN 0.490 nan 8.270 nan 0.000 0.593 234 R N 0.594 121.187 120.500 0.156 0.000 2.740 234 R HA 0.404 4.743 4.340 -0.000 0.000 0.273 234 R C -1.648 174.660 176.300 0.014 0.000 0.998 234 R CA -0.754 55.342 56.100 -0.006 0.000 0.900 234 R CB 1.677 31.762 30.300 -0.358 0.000 1.223 234 R HN -0.053 nan 8.270 nan 0.000 0.466 235 D N 1.284 121.624 120.400 -0.099 0.000 2.163 235 D HA 0.390 5.030 4.640 -0.000 0.000 0.248 235 D C -0.748 175.382 176.300 -0.283 0.000 1.035 235 D CA 0.066 54.042 54.000 -0.040 0.000 0.872 235 D CB 1.134 41.927 40.800 -0.011 0.000 1.183 235 D HN 0.141 nan 8.370 nan 0.000 0.445 236 F N 0.673 120.623 119.950 0.001 0.000 2.522 236 F HA 0.391 4.917 4.527 -0.000 0.000 0.324 236 F C 0.642 176.452 175.800 0.017 0.000 1.077 236 F CA -0.619 57.375 58.000 -0.010 0.000 0.944 236 F CB 1.752 40.742 39.000 -0.017 0.000 1.175 236 F HN 0.203 nan 8.300 nan 0.000 0.468 237 Q N 0.162 120.071 119.800 0.182 0.000 2.707 237 Q HA 0.344 4.684 4.340 -0.000 0.000 0.307 237 Q C -1.517 174.592 176.000 0.182 0.000 0.934 237 Q CA -1.296 54.599 55.803 0.153 0.000 0.753 237 Q CB 1.720 30.515 28.738 0.094 0.000 1.478 237 Q HN 0.611 nan 8.270 nan 0.000 0.458 238 Q N 0.994 120.922 119.800 0.214 0.000 2.337 238 Q HA 0.198 4.538 4.340 -0.000 0.000 0.270 238 Q C -0.468 175.598 176.000 0.110 0.000 1.002 238 Q CA -0.151 55.787 55.803 0.225 0.000 0.888 238 Q CB 0.464 29.306 28.738 0.173 0.000 1.222 238 Q HN 0.574 nan 8.270 nan 0.000 0.400 239 I N 6.901 127.514 120.570 0.072 0.000 2.906 239 I HA -0.111 4.059 4.170 -0.000 0.000 0.301 239 I C -1.965 174.166 176.117 0.024 0.000 1.221 239 I CA -1.122 60.194 61.300 0.026 0.000 1.435 239 I CB 0.057 38.036 38.000 -0.034 0.000 1.345 239 I HN 0.461 nan 8.210 nan 0.000 0.558 240 P HA 0.224 nan 4.420 nan 0.000 0.271 240 P C -0.926 176.364 177.300 -0.016 0.000 1.233 240 P CA 0.132 63.234 63.100 0.003 0.000 0.764 240 P CB 0.424 32.114 31.700 -0.016 0.000 0.825 241 L N 2.533 123.759 121.223 0.004 0.000 2.362 241 L HA 0.637 4.977 4.340 -0.000 0.000 0.275 241 L C 0.355 177.221 176.870 -0.007 0.000 0.998 241 L CA -1.147 53.694 54.840 0.002 0.000 0.820 241 L CB 2.053 44.184 42.059 0.119 0.000 1.270 241 L HN 0.251 nan 8.230 nan 0.000 0.415 242 A N 3.306 126.081 122.820 -0.075 0.000 2.527 242 A HA 0.769 5.088 4.320 -0.000 0.000 0.313 242 A C 0.023 177.635 177.584 0.047 0.000 1.410 242 A CA 0.072 52.110 52.037 0.001 0.000 1.060 242 A CB -0.239 18.714 19.000 -0.078 0.000 1.137 242 A HN 0.818 nan 8.150 nan 0.000 0.542 243 A N 2.068 124.886 122.820 -0.003 0.000 2.586 243 A HA 0.691 5.011 4.320 -0.000 0.000 0.296 243 A C -0.528 176.942 177.584 -0.189 0.000 1.040 243 A CA -0.470 51.459 52.037 -0.181 0.000 0.701 243 A CB 0.607 19.327 19.000 -0.465 0.000 1.277 243 A HN 0.733 nan 8.150 nan 0.000 0.413 244 T N 1.525 115.937 114.554 -0.237 0.000 2.840 244 T HA 0.518 4.867 4.350 -0.000 0.000 0.287 244 T C -0.014 174.533 174.700 -0.255 0.000 0.991 244 T CA -0.464 61.525 62.100 -0.185 0.000 0.964 244 T CB 1.307 70.126 68.868 -0.081 0.000 0.954 244 T HN 0.757 nan 8.240 nan 0.000 0.438 245 R N 2.063 122.400 120.500 -0.272 0.000 2.491 245 R HA 0.272 4.612 4.340 -0.000 0.000 0.283 245 R C 0.627 176.842 176.300 -0.141 0.000 1.072 245 R CA -0.363 55.570 56.100 -0.278 0.000 1.048 245 R CB 0.401 30.494 30.300 -0.345 0.000 0.983 245 R HN 0.390 nan 8.270 nan 0.000 0.450 246 R N 0.925 121.393 120.500 -0.053 0.000 2.316 246 R HA 0.157 4.496 4.340 -0.000 0.000 0.201 246 R C 0.033 176.317 176.300 -0.028 0.000 0.888 246 R CA 0.610 56.705 56.100 -0.008 0.000 1.041 246 R CB 0.421 30.759 30.300 0.064 0.000 1.115 246 R HN 0.775 nan 8.270 nan 0.000 0.559 247 S N -1.435 114.256 115.700 -0.016 0.000 2.636 247 S HA 0.384 4.854 4.470 -0.000 0.000 0.268 247 S C -2.660 171.909 174.600 -0.052 0.000 1.159 247 S CA -1.014 57.169 58.200 -0.027 0.000 0.815 247 S CB 2.136 65.339 63.200 0.005 0.000 1.130 247 S HN -0.249 nan 8.310 nan 0.000 0.471 248 P HA 0.053 nan 4.420 nan 0.000 0.225 248 P C 0.967 178.238 177.300 -0.049 0.000 1.148 248 P CA 1.523 64.580 63.100 -0.072 0.000 0.779 248 P CB -0.177 31.497 31.700 -0.044 0.000 0.780 249 T N -6.558 107.999 114.554 0.005 0.000 3.145 249 T HA 0.290 4.640 4.350 -0.000 0.000 0.281 249 T C -0.249 174.508 174.700 0.094 0.000 1.003 249 T CA -0.352 61.772 62.100 0.040 0.000 0.901 249 T CB -0.597 68.312 68.868 0.069 0.000 1.112 249 T HN -0.131 nan 8.240 nan 0.000 0.535 250 F N 1.692 121.583 119.950 -0.100 0.000 2.562 250 F HA 0.655 5.182 4.527 -0.000 0.000 0.319 250 F C -1.439 174.231 175.800 -0.217 0.000 1.154 250 F CA -1.146 56.789 58.000 -0.108 0.000 0.931 250 F CB 1.954 40.907 39.000 -0.078 0.000 1.198 250 F HN -0.112 nan 8.300 nan 0.000 0.444 251 V N 5.354 124.856 119.914 -0.687 0.000 2.384 251 V HA 0.260 4.380 4.120 -0.000 0.000 0.287 251 V C -0.260 175.263 176.094 -0.950 0.000 1.020 251 V CA -0.847 60.978 62.300 -0.791 0.000 0.850 251 V CB 1.570 32.742 31.823 -1.085 0.000 0.987 251 V HN 0.722 nan 8.190 nan 0.000 0.436 252 E N 4.721 124.664 120.200 -0.428 0.000 2.003 252 E HA 0.129 4.479 4.350 -0.000 0.000 0.279 252 E C -1.010 175.404 176.600 -0.310 0.000 1.132 252 E CA -0.537 55.766 56.400 -0.162 0.000 0.888 252 E CB 0.385 30.145 29.700 0.101 0.000 1.056 252 E HN 0.634 nan 8.360 nan 0.000 0.399 253 W N 2.940 124.140 121.300 -0.166 0.000 2.216 253 W HA 0.117 4.776 4.660 -0.000 0.000 0.326 253 W C 0.672 177.213 176.519 0.036 0.000 1.319 253 W CA -0.554 56.661 57.345 -0.216 0.000 1.213 253 W CB 0.839 29.910 29.460 -0.649 0.000 1.171 253 W HN 0.311 nan 8.180 nan 0.000 0.557 254 S N 1.628 117.540 115.700 0.354 0.000 2.614 254 S HA 0.615 5.085 4.470 -0.000 0.000 0.265 254 S C 0.154 175.197 174.600 0.738 0.000 1.303 254 S CA -0.557 57.923 58.200 0.467 0.000 1.000 254 S CB 1.142 64.622 63.200 0.467 0.000 0.935 254 S HN 0.520 nan 8.310 nan 0.000 0.551 255 S N -0.371 115.712 115.700 0.638 0.000 2.724 255 S HA 0.680 5.149 4.470 -0.000 0.000 0.278 255 S C 0.797 175.608 174.600 0.351 0.000 1.190 255 S CA -0.325 58.192 58.200 0.529 0.000 0.860 255 S CB 0.481 63.914 63.200 0.388 0.000 1.206 255 S HN 0.726 nan 8.310 nan 0.000 0.507 256 A N 1.695 124.611 122.820 0.160 0.000 1.927 256 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 256 A C 2.020 179.650 177.584 0.077 0.000 1.185 256 A CA 2.289 54.372 52.037 0.077 0.000 0.639 256 A CB -1.646 17.368 19.000 0.024 0.000 0.820 256 A HN 0.878 nan 8.150 nan 0.000 0.451 257 N N -0.635 118.119 118.700 0.089 0.000 2.137 257 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 257 N C 1.584 177.117 175.510 0.037 0.000 1.017 257 N CA 2.120 55.195 53.050 0.042 0.000 0.859 257 N CB -0.253 38.274 38.487 0.067 0.000 1.002 257 N HN 0.504 nan 8.380 nan 0.000 0.428 258 T N 0.626 115.253 114.554 0.122 0.000 2.708 258 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 258 T C 2.110 176.840 174.700 0.051 0.000 1.037 258 T CA 1.381 63.558 62.100 0.128 0.000 1.146 258 T CB -0.364 68.661 68.868 0.262 0.000 0.865 258 T HN 0.064 nan 8.240 nan 0.000 0.435 259 V N -0.425 119.500 119.914 0.019 0.000 2.358 259 V HA 0.116 4.236 4.120 -0.000 0.000 0.246 259 V C 0.561 176.603 176.094 -0.088 0.000 1.047 259 V CA 1.017 63.242 62.300 -0.126 0.000 1.035 259 V CB -0.459 31.235 31.823 -0.215 0.000 0.658 259 V HN 0.487 nan 8.190 nan 0.000 0.452 260 F N 0.873 120.690 119.950 -0.221 0.000 2.623 260 F HA 0.378 4.904 4.527 -0.000 0.000 0.323 260 F C 0.217 175.894 175.800 -0.204 0.000 1.158 260 F CA -1.622 56.219 58.000 -0.266 0.000 1.030 260 F CB 1.385 40.174 39.000 -0.351 0.000 1.280 260 F HN 0.140 nan 8.300 nan 0.000 0.474 261 D N 4.739 124.635 120.400 -0.841 0.000 2.348 261 D HA -0.062 4.578 4.640 -0.000 0.000 0.216 261 D C 1.218 177.229 176.300 -0.482 0.000 0.970 261 D CA 1.183 54.872 54.000 -0.518 0.000 0.889 261 D CB -0.046 40.511 40.800 -0.406 0.000 0.912 261 D HN 0.682 nan 8.370 nan 0.000 0.524 262 L N -1.920 118.839 121.223 -0.773 0.000 4.625 262 L HA -0.244 4.096 4.340 -0.000 0.000 0.428 262 L C -0.205 176.643 176.870 -0.036 0.000 1.129 262 L CA 0.464 55.157 54.840 -0.244 0.000 0.978 262 L CB -1.457 40.614 42.059 0.020 0.000 2.043 262 L HN 0.226 nan 8.230 nan 0.000 0.847 263 Q N 0.980 120.658 119.800 -0.204 0.000 2.332 263 Q HA 0.215 4.555 4.340 -0.000 0.000 0.263 263 Q C 0.400 176.466 176.000 0.111 0.000 0.979 263 Q CA -0.031 55.736 55.803 -0.060 0.000 0.885 263 Q CB 0.582 29.246 28.738 -0.123 0.000 1.218 263 Q HN 0.138 nan 8.270 nan 0.000 0.405 264 N N 1.992 120.748 118.700 0.093 0.000 2.492 264 N HA 0.099 4.839 4.740 -0.000 0.000 0.260 264 N C -0.260 175.309 175.510 0.099 0.000 1.215 264 N CA 0.333 53.441 53.050 0.097 0.000 0.923 264 N CB 0.623 39.071 38.487 -0.066 0.000 1.092 264 N HN 0.247 nan 8.380 nan 0.000 0.448 265 R N 1.403 121.988 120.500 0.143 0.000 2.803 265 R HA 0.501 4.841 4.340 -0.000 0.000 0.276 265 R C -2.436 173.901 176.300 0.061 0.000 0.978 265 R CA -1.666 54.499 56.100 0.109 0.000 0.939 265 R CB 1.503 31.898 30.300 0.158 0.000 1.179 265 R HN 0.347 nan 8.270 nan 0.000 0.472 266 P HA 0.095 nan 4.420 nan 0.000 0.271 266 P C -1.244 176.103 177.300 0.079 0.000 1.218 266 P CA -0.243 62.929 63.100 0.121 0.000 0.780 266 P CB 0.632 32.462 31.700 0.217 0.000 0.901 267 N N -1.224 117.514 118.700 0.063 0.000 3.204 267 N HA 0.277 5.017 4.740 -0.000 0.000 0.285 267 N C 0.466 175.992 175.510 0.027 0.000 1.536 267 N CA -0.728 52.342 53.050 0.034 0.000 0.832 267 N CB -0.527 37.967 38.487 0.011 0.000 1.645 267 N HN 0.024 nan 8.380 nan 0.000 0.586 268 T N -0.690 113.871 114.554 0.011 0.000 2.746 268 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 268 T C 0.301 175.003 174.700 0.004 0.000 1.039 268 T CA 1.613 63.717 62.100 0.007 0.000 1.142 268 T CB -0.471 68.396 68.868 -0.001 0.000 0.866 268 T HN 0.515 nan 8.240 nan 0.000 0.444 269 D N 1.040 121.437 120.400 -0.004 0.000 2.323 269 D HA 0.186 4.826 4.640 -0.000 0.000 0.209 269 D C 0.775 177.076 176.300 0.002 0.000 0.973 269 D CA 0.355 54.350 54.000 -0.009 0.000 0.874 269 D CB 0.189 40.973 40.800 -0.027 0.000 0.930 269 D HN 0.376 nan 8.370 nan 0.000 0.521 270 A N 1.421 124.251 122.820 0.017 0.000 3.266 270 A HA 0.319 4.639 4.320 -0.000 0.000 0.310 270 A C -1.973 175.658 177.584 0.078 0.000 1.066 270 A CA -0.858 51.204 52.037 0.042 0.000 0.839 270 A CB 1.018 20.041 19.000 0.037 0.000 1.192 270 A HN -0.163 nan 8.150 nan 0.000 0.496 271 P HA -0.073 nan 4.420 nan 0.000 0.229 271 P C 0.521 177.933 177.300 0.186 0.000 1.160 271 P CA 1.087 64.246 63.100 0.098 0.000 0.777 271 P CB 0.380 32.105 31.700 0.042 0.000 0.814 272 E N -0.360 119.956 120.200 0.192 0.000 2.476 272 E HA 0.119 4.468 4.350 -0.000 0.000 0.196 272 E C 0.205 177.027 176.600 0.370 0.000 1.029 272 E CA -0.058 56.539 56.400 0.328 0.000 0.896 272 E CB 0.388 30.186 29.700 0.164 0.000 1.012 272 E HN 0.467 nan 8.360 nan 0.000 0.475 273 E N 1.217 121.550 120.200 0.221 0.000 2.250 273 E HA 0.412 4.762 4.350 -0.000 0.000 0.269 273 E C -0.281 176.333 176.600 0.025 0.000 1.018 273 E CA -0.480 55.989 56.400 0.115 0.000 0.873 273 E CB 1.344 31.113 29.700 0.116 0.000 1.134 273 E HN -0.098 nan 8.360 nan 0.000 0.403 274 R N 1.858 122.343 120.500 -0.025 0.000 2.473 274 R HA 0.425 4.765 4.340 -0.000 0.000 0.303 274 R C -1.567 174.800 176.300 0.111 0.000 1.002 274 R CA -0.545 55.511 56.100 -0.074 0.000 0.884 274 R CB 1.001 31.134 30.300 -0.279 0.000 1.173 274 R HN 0.391 nan 8.270 nan 0.000 0.464 275 F N 2.324 122.248 119.950 -0.043 0.000 2.605 275 F HA 0.423 4.949 4.527 -0.000 0.000 0.320 275 F C -1.688 174.043 175.800 -0.115 0.000 1.159 275 F CA -0.687 57.287 58.000 -0.043 0.000 0.999 275 F CB 1.889 40.937 39.000 0.081 0.000 1.258 275 F HN 0.390 nan 8.300 nan 0.000 0.464 276 N N 4.964 123.035 118.700 -1.048 0.000 2.296 276 N HA 0.592 5.332 4.740 -0.000 0.000 0.294 276 N C -1.940 172.560 175.510 -1.683 0.000 1.033 276 N CA -0.641 51.702 53.050 -1.180 0.000 0.839 276 N CB 2.345 40.306 38.487 -0.877 0.000 1.395 276 N HN 0.583 nan 8.380 nan 0.000 0.479 277 L N 2.614 123.036 121.223 -1.334 0.000 2.282 277 L HA 0.630 4.969 4.340 -0.000 0.000 0.288 277 L C -1.629 174.690 176.870 -0.918 0.000 1.033 277 L CA -0.245 54.062 54.840 -0.888 0.000 0.807 277 L CB 0.145 42.039 42.059 -0.274 0.000 1.209 277 L HN 0.456 nan 8.230 nan 0.000 0.423 278 F N 6.482 126.169 119.950 -0.438 0.000 2.359 278 F HA 0.535 5.062 4.527 -0.000 0.000 0.370 278 F C -2.131 173.613 175.800 -0.093 0.000 1.077 278 F CA -2.075 55.767 58.000 -0.264 0.000 1.136 278 F CB 0.699 39.497 39.000 -0.335 0.000 1.387 278 F HN 0.418 nan 8.300 nan 0.000 0.468 279 P HA 0.307 nan 4.420 nan 0.000 0.276 279 P C 0.017 177.373 177.300 0.093 0.000 1.261 279 P CA -0.171 62.971 63.100 0.069 0.000 0.800 279 P CB 1.036 32.756 31.700 0.033 0.000 1.066 280 A N -0.927 121.930 122.820 0.062 0.000 2.822 280 A HA -0.104 4.216 4.320 -0.000 0.000 0.287 280 A C -0.040 177.569 177.584 0.040 0.000 1.479 280 A CA 0.726 52.791 52.037 0.046 0.000 0.779 280 A CB -2.438 16.590 19.000 0.047 0.000 1.022 280 A HN 0.256 nan 8.150 nan 0.000 0.532 281 V N -0.264 119.689 119.914 0.064 0.000 2.407 281 V HA 0.670 4.790 4.120 -0.000 0.000 0.291 281 V C 0.627 176.712 176.094 -0.014 0.000 1.018 281 V CA -0.309 62.022 62.300 0.052 0.000 0.842 281 V CB 1.515 33.454 31.823 0.193 0.000 0.996 281 V HN 1.456 nan 8.190 nan 0.000 0.426 282 A N 4.273 127.055 122.820 -0.063 0.000 2.347 282 A HA 0.444 4.764 4.320 -0.000 0.000 0.287 282 A C 0.134 177.680 177.584 -0.064 0.000 1.199 282 A CA -0.171 51.819 52.037 -0.079 0.000 0.851 282 A CB -0.151 18.841 19.000 -0.012 0.000 1.118 282 A HN 0.870 nan 8.150 nan 0.000 0.525 283 C N 2.908 122.150 119.300 -0.096 0.000 2.415 283 C HA 0.342 4.802 4.460 -0.000 0.000 0.369 283 C C 1.373 176.332 174.990 -0.051 0.000 1.279 283 C CA -0.227 58.727 59.018 -0.106 0.000 1.886 283 C CB -0.367 27.303 27.740 -0.115 0.000 2.468 283 C HN 1.025 nan 8.230 nan 0.000 0.553 284 E N 1.004 121.210 120.200 0.009 0.000 2.290 284 E HA 0.095 4.445 4.350 -0.000 0.000 0.199 284 E C 0.389 177.000 176.600 0.018 0.000 0.912 284 E CA 0.338 56.767 56.400 0.049 0.000 0.924 284 E CB 0.478 30.276 29.700 0.163 0.000 0.901 284 E HN 0.759 nan 8.360 nan 0.000 0.487 285 R N 0.015 120.537 120.500 0.037 0.000 2.690 285 R HA 0.432 4.771 4.340 -0.000 0.000 0.269 285 R C -0.859 175.434 176.300 -0.011 0.000 1.037 285 R CA -0.849 55.249 56.100 -0.004 0.000 0.877 285 R CB 1.058 31.341 30.300 -0.027 0.000 1.255 285 R HN -0.082 nan 8.270 nan 0.000 0.467 286 V N -0.675 119.215 119.914 -0.039 0.000 2.532 286 V HA 0.624 4.744 4.120 -0.000 0.000 0.295 286 V C 0.006 176.060 176.094 -0.067 0.000 1.041 286 V CA -0.857 61.387 62.300 -0.093 0.000 0.926 286 V CB 1.693 33.424 31.823 -0.153 0.000 0.992 286 V HN 0.509 nan 8.190 nan 0.000 0.457 287 V N 5.494 125.347 119.914 -0.101 0.000 2.364 287 V HA 0.445 4.564 4.120 -0.000 0.000 0.272 287 V C 0.651 176.720 176.094 -0.042 0.000 1.036 287 V CA -0.463 61.799 62.300 -0.063 0.000 0.880 287 V CB 0.699 32.496 31.823 -0.043 0.000 0.991 287 V HN 0.932 nan 8.190 nan 0.000 0.460 288 R N 3.873 124.366 120.500 -0.012 0.000 2.490 288 R HA 0.258 4.598 4.340 -0.000 0.000 0.280 288 R C 0.428 176.756 176.300 0.047 0.000 1.077 288 R CA -0.519 55.631 56.100 0.083 0.000 1.065 288 R CB 0.587 30.909 30.300 0.036 0.000 1.003 288 R HN 0.867 nan 8.270 nan 0.000 0.470 289 N N 1.581 120.322 118.700 0.068 0.000 2.354 289 N HA -0.012 4.727 4.740 -0.000 0.000 0.246 289 N C 0.544 176.047 175.510 -0.012 0.000 1.285 289 N CA 0.171 53.230 53.050 0.015 0.000 0.925 289 N CB 0.509 39.001 38.487 0.008 0.000 1.174 289 N HN 0.569 nan 8.380 nan 0.000 0.478 290 A N 0.555 123.361 122.820 -0.023 0.000 1.972 290 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 290 A C 2.179 179.733 177.584 -0.049 0.000 1.169 290 A CA 0.906 52.923 52.037 -0.033 0.000 0.635 290 A CB -0.789 18.195 19.000 -0.027 0.000 0.810 290 A HN 0.659 nan 8.150 nan 0.000 0.446 291 L N -0.679 120.506 121.223 -0.064 0.000 2.552 291 L HA -0.045 4.295 4.340 -0.000 0.000 0.227 291 L C 0.053 176.826 176.870 -0.161 0.000 1.146 291 L CA 0.006 54.791 54.840 -0.092 0.000 0.858 291 L CB -0.469 41.538 42.059 -0.086 0.000 0.969 291 L HN 0.410 nan 8.230 nan 0.000 0.451 292 N N 0.172 118.763 118.700 -0.181 0.000 2.714 292 N HA -0.192 4.548 4.740 -0.000 0.000 0.252 292 N C 0.950 175.854 175.510 -1.010 0.000 1.014 292 N CA 1.065 53.894 53.050 -0.369 0.000 0.735 292 N CB -1.085 37.329 38.487 -0.122 0.000 0.924 292 N HN 0.542 nan 8.380 nan 0.000 0.540 293 S N -2.062 113.189 115.700 -0.748 0.000 2.604 293 S HA 0.247 4.717 4.470 -0.000 0.000 0.235 293 S C 0.290 174.652 174.600 -0.397 0.000 1.043 293 S CA -0.172 57.660 58.200 -0.613 0.000 0.997 293 S CB 1.557 64.604 63.200 -0.255 0.000 0.956 293 S HN 0.393 nan 8.310 nan 0.000 0.535 294 E N 0.286 120.365 120.200 -0.203 0.000 2.375 294 E HA 0.405 4.755 4.350 -0.000 0.000 0.280 294 E C -1.725 175.052 176.600 0.295 0.000 0.972 294 E CA -0.826 55.667 56.400 0.155 0.000 0.782 294 E CB 1.315 31.074 29.700 0.099 0.000 1.229 294 E HN 0.097 nan 8.360 nan 0.000 0.439 295 I N 3.573 124.291 120.570 0.246 0.000 2.395 295 I HA 0.129 4.299 4.170 -0.000 0.000 0.289 295 I C 0.938 176.992 176.117 -0.105 0.000 1.023 295 I CA 0.108 61.378 61.300 -0.050 0.000 1.350 295 I CB 1.230 38.968 38.000 -0.437 0.000 1.409 295 I HN 0.685 nan 8.210 nan 0.000 0.507 296 E N 3.219 123.356 120.200 -0.105 0.000 2.389 296 E HA 0.086 4.436 4.350 -0.000 0.000 0.199 296 E C 0.317 176.942 176.600 0.042 0.000 0.978 296 E CA 0.352 56.761 56.400 0.014 0.000 0.912 296 E CB 0.592 30.309 29.700 0.030 0.000 0.907 296 E HN 0.719 nan 8.360 nan 0.000 0.494 297 S N -0.373 115.271 115.700 -0.094 0.000 2.636 297 S HA 0.514 4.984 4.470 -0.000 0.000 0.266 297 S C -1.558 172.999 174.600 -0.073 0.000 1.147 297 S CA -1.051 57.174 58.200 0.042 0.000 0.815 297 S CB 1.368 64.620 63.200 0.087 0.000 1.119 297 S HN 0.010 nan 8.310 nan 0.000 0.470 298 L N 1.877 123.165 121.223 0.108 0.000 2.325 298 L HA 0.639 4.978 4.340 -0.000 0.000 0.281 298 L C -0.868 176.004 176.870 0.003 0.000 1.004 298 L CA -0.212 54.653 54.840 0.043 0.000 0.823 298 L CB 1.253 43.367 42.059 0.092 0.000 1.236 298 L HN 1.012 nan 8.230 nan 0.000 0.415 299 H N 5.429 124.456 119.070 -0.072 0.000 2.652 299 H HA 0.589 5.145 4.556 -0.000 0.000 0.298 299 H C -0.440 174.835 175.328 -0.089 0.000 1.076 299 H CA -0.223 55.787 56.048 -0.062 0.000 1.360 299 H CB 0.560 30.291 29.762 -0.052 0.000 1.421 299 H HN 0.651 nan 8.280 nan 0.000 0.464 300 I N 1.619 121.874 120.570 -0.525 0.000 2.797 300 I HA 0.431 4.601 4.170 -0.000 0.000 0.307 300 I C -1.056 174.911 176.117 -0.251 0.000 1.033 300 I CA -1.010 60.080 61.300 -0.350 0.000 1.071 300 I CB 2.452 40.190 38.000 -0.436 0.000 1.255 300 I HN 0.657 nan 8.210 nan 0.000 0.445 301 H N 3.106 122.074 119.070 -0.170 0.000 2.970 301 H HA 0.214 4.770 4.556 -0.000 0.000 0.315 301 H C -1.498 173.834 175.328 0.007 0.000 0.992 301 H CA -0.704 55.302 56.048 -0.070 0.000 1.363 301 H CB 1.358 31.113 29.762 -0.013 0.000 1.532 301 H HN 0.780 nan 8.280 nan 0.000 0.514 302 D N 5.620 126.058 120.400 0.064 0.000 2.346 302 D HA -0.003 4.637 4.640 -0.000 0.000 0.260 302 D C 0.996 177.191 176.300 -0.176 0.000 1.252 302 D CA -0.070 53.937 54.000 0.013 0.000 0.895 302 D CB 0.954 41.864 40.800 0.183 0.000 1.097 302 D HN 0.682 nan 8.370 nan 0.000 0.489 303 L N 4.203 125.301 121.223 -0.209 0.000 2.478 303 L HA -0.071 4.269 4.340 -0.000 0.000 0.223 303 L C 1.748 178.572 176.870 -0.077 0.000 1.140 303 L CA 0.043 54.738 54.840 -0.242 0.000 0.842 303 L CB -0.002 41.992 42.059 -0.109 0.000 0.953 303 L HN 0.504 nan 8.230 nan 0.000 0.452 304 I N -0.842 119.718 120.570 -0.017 0.000 2.499 304 I HA -0.106 4.063 4.170 -0.000 0.000 0.243 304 I C 2.724 178.862 176.117 0.034 0.000 1.085 304 I CA 1.490 62.802 61.300 0.020 0.000 1.422 304 I CB -1.219 36.805 38.000 0.039 0.000 1.165 304 I HN 0.232 nan 8.210 nan 0.000 0.440 305 S N 0.872 116.605 115.700 0.055 0.000 2.428 305 S HA 0.000 4.470 4.470 -0.000 0.000 0.230 305 S C 1.897 176.537 174.600 0.066 0.000 1.014 305 S CA 1.071 59.312 58.200 0.069 0.000 0.957 305 S CB -0.393 62.872 63.200 0.108 0.000 0.784 305 S HN 0.645 nan 8.310 nan 0.000 0.499 306 G N 1.015 109.861 108.800 0.077 0.000 2.184 306 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.264 306 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.264 306 G C -0.340 174.655 174.900 0.158 0.000 0.975 306 G CA 0.285 45.484 45.100 0.166 0.000 0.642 306 G HN 0.589 nan 8.290 nan 0.000 0.536 307 D N 0.342 120.777 120.400 0.058 0.000 2.372 307 D HA 0.506 5.146 4.640 -0.000 0.000 0.243 307 D C 0.973 177.152 176.300 -0.202 0.000 1.121 307 D CA 0.265 54.167 54.000 -0.163 0.000 0.898 307 D CB 0.544 41.151 40.800 -0.322 0.000 1.202 307 D HN 0.422 nan 8.370 nan 0.000 0.428 308 R N 1.139 121.375 120.500 -0.439 0.000 2.534 308 R HA 0.570 4.909 4.340 -0.000 0.000 0.301 308 R C -0.766 175.180 176.300 -0.591 0.000 0.961 308 R CA -0.617 55.260 56.100 -0.372 0.000 0.871 308 R CB 1.258 31.431 30.300 -0.211 0.000 1.170 308 R HN 0.281 nan 8.270 nan 0.000 0.446 309 F N 0.081 119.877 119.950 -0.258 0.000 2.620 309 F HA 0.394 4.921 4.527 -0.000 0.000 0.320 309 F C 0.167 175.837 175.800 -0.217 0.000 1.069 309 F CA -1.124 56.769 58.000 -0.179 0.000 0.953 309 F CB 1.761 40.671 39.000 -0.150 0.000 1.322 309 F HN 0.130 nan 8.300 nan 0.000 0.479 310 E N 2.418 122.697 120.200 0.133 0.000 2.113 310 E HA 0.365 4.715 4.350 -0.000 0.000 0.273 310 E C -0.779 175.871 176.600 0.083 0.000 0.924 310 E CA -0.394 56.060 56.400 0.090 0.000 0.764 310 E CB 1.833 31.600 29.700 0.113 0.000 1.104 310 E HN 0.293 nan 8.360 nan 0.000 0.406 311 I N 2.433 123.028 120.570 0.042 0.000 2.385 311 I HA 0.257 4.427 4.170 -0.000 0.000 0.294 311 I C 0.668 176.895 176.117 0.183 0.000 0.988 311 I CA -0.551 60.798 61.300 0.082 0.000 1.265 311 I CB 0.858 38.862 38.000 0.006 0.000 1.388 311 I HN 0.114 nan 8.210 nan 0.000 0.480 312 K N 4.286 124.796 120.400 0.183 0.000 2.164 312 K HA 0.841 5.161 4.320 -0.000 0.000 0.258 312 K C -0.754 175.923 176.600 0.130 0.000 0.951 312 K CA -0.543 55.866 56.287 0.204 0.000 0.844 312 K CB 2.714 35.300 32.500 0.143 0.000 1.099 312 K HN 0.801 nan 8.250 nan 0.000 0.435 313 A N 1.668 124.493 122.820 0.008 0.000 2.609 313 A HA 0.328 4.647 4.320 -0.000 0.000 0.291 313 A C -0.380 177.094 177.584 -0.184 0.000 1.096 313 A CA -0.631 51.277 52.037 -0.216 0.000 0.684 313 A CB 1.058 19.714 19.000 -0.574 0.000 1.282 313 A HN 0.657 nan 8.150 nan 0.000 0.412 314 D N -0.460 119.874 120.400 -0.110 0.000 2.162 314 D HA 0.110 4.750 4.640 -0.000 0.000 0.203 314 D C 0.319 176.530 176.300 -0.149 0.000 0.967 314 D CA 1.650 55.653 54.000 0.006 0.000 0.840 314 D CB 0.212 41.084 40.800 0.119 0.000 0.972 314 D HN 0.221 nan 8.370 nan 0.000 0.482 315 V N 0.929 120.599 119.914 -0.406 0.000 2.531 315 V HA 0.255 4.375 4.120 -0.000 0.000 0.301 315 V C -1.223 174.593 176.094 -0.462 0.000 1.034 315 V CA -0.864 61.180 62.300 -0.426 0.000 0.865 315 V CB 1.651 33.091 31.823 -0.638 0.000 0.995 315 V HN -0.057 nan 8.190 nan 0.000 0.424 316 Y N 3.244 123.530 120.300 -0.023 0.000 2.328 316 Y HA 0.669 5.219 4.550 -0.000 0.000 0.337 316 Y C -0.017 175.849 175.900 -0.056 0.000 0.966 316 Y CA -0.869 57.208 58.100 -0.039 0.000 1.136 316 Y CB 1.940 40.381 38.460 -0.031 0.000 1.170 316 Y HN 0.363 nan 8.280 nan 0.000 0.470 317 V N 5.551 125.422 119.914 -0.071 0.000 2.448 317 V HA 0.407 4.527 4.120 -0.000 0.000 0.295 317 V C -0.422 175.537 176.094 -0.226 0.000 1.025 317 V CA -0.956 61.191 62.300 -0.255 0.000 0.859 317 V CB 1.788 33.252 31.823 -0.599 0.000 0.988 317 V HN 0.591 nan 8.190 nan 0.000 0.431 318 L N 5.086 126.169 121.223 -0.232 0.000 2.295 318 L HA 0.545 4.885 4.340 -0.000 0.000 0.281 318 L C 0.258 177.017 176.870 -0.184 0.000 1.018 318 L CA -0.206 54.522 54.840 -0.186 0.000 0.841 318 L CB 1.654 43.587 42.059 -0.211 0.000 1.218 318 L HN 0.822 nan 8.230 nan 0.000 0.424 319 T N -1.604 112.875 114.554 -0.125 0.000 3.532 319 T HA 0.386 4.736 4.350 -0.000 0.000 0.241 319 T C 0.644 175.343 174.700 -0.002 0.000 1.238 319 T CA -0.152 61.915 62.100 -0.055 0.000 1.405 319 T CB 1.048 69.880 68.868 -0.061 0.000 0.971 319 T HN 0.525 nan 8.240 nan 0.000 0.640 320 A N 0.776 123.606 122.820 0.018 0.000 2.345 320 A HA 0.784 5.104 4.320 -0.000 0.000 0.225 320 A C 1.381 179.036 177.584 0.118 0.000 1.243 320 A CA 0.069 52.140 52.037 0.057 0.000 0.875 320 A CB -0.659 18.372 19.000 0.052 0.000 0.929 320 A HN 1.726 nan 8.150 nan 0.000 0.502 321 G N -2.400 106.466 108.800 0.111 0.000 2.699 321 G HA2 0.256 4.216 3.960 -0.000 0.000 0.686 321 G HA3 0.256 4.216 3.960 -0.000 0.000 0.686 321 G C 0.768 175.760 174.900 0.153 0.000 1.301 321 G CA -0.292 44.881 45.100 0.122 0.000 0.816 321 G HN 1.291 nan 8.290 nan 0.000 0.595 322 A N -0.423 122.472 122.820 0.125 0.000 1.972 322 A HA 0.199 4.519 4.320 -0.000 0.000 0.219 322 A C 2.645 180.308 177.584 0.131 0.000 1.169 322 A CA 3.232 55.339 52.037 0.117 0.000 0.635 322 A CB -0.354 18.684 19.000 0.063 0.000 0.810 322 A HN 1.600 nan 8.150 nan 0.000 0.446 323 V N -0.970 118.978 119.914 0.056 0.000 2.302 323 V HA -0.205 3.914 4.120 -0.000 0.000 0.243 323 V C 2.221 178.334 176.094 0.032 0.000 1.036 323 V CA 2.153 64.455 62.300 0.003 0.000 1.020 323 V CB -1.081 30.628 31.823 -0.189 0.000 0.657 323 V HN 0.734 nan 8.190 nan 0.000 0.453 324 H N -0.189 118.953 119.070 0.121 0.000 2.470 324 H HA -0.035 4.521 4.556 -0.000 0.000 0.289 324 H C 2.300 177.625 175.328 -0.005 0.000 1.033 324 H CA 0.938 57.016 56.048 0.049 0.000 1.331 324 H CB 0.085 29.856 29.762 0.014 0.000 1.414 324 H HN 0.328 nan 8.280 nan 0.000 0.545 325 N N -0.029 118.745 118.700 0.124 0.000 2.069 325 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 325 N C 1.800 177.297 175.510 -0.023 0.000 1.031 325 N CA 1.919 54.976 53.050 0.010 0.000 0.852 325 N CB -0.554 37.922 38.487 -0.017 0.000 1.018 325 N HN 0.326 nan 8.380 nan 0.000 0.423 326 T N 0.805 115.418 114.554 0.099 0.000 2.777 326 T HA -0.155 4.194 4.350 -0.000 0.000 0.266 326 T C 1.847 176.406 174.700 -0.235 0.000 1.040 326 T CA 1.051 63.205 62.100 0.089 0.000 1.141 326 T CB -0.215 68.849 68.868 0.327 0.000 0.868 326 T HN 0.344 nan 8.240 nan 0.000 0.444 327 Q N 0.204 119.764 119.800 -0.399 0.000 2.061 327 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 327 Q C 2.316 178.052 176.000 -0.441 0.000 0.984 327 Q CA 1.215 56.490 55.803 -0.880 0.000 0.846 327 Q CB -0.253 28.309 28.738 -0.293 0.000 0.902 327 Q HN 0.348 nan 8.270 nan 0.000 0.421 328 L N 0.809 121.906 121.223 -0.211 0.000 2.046 328 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 328 L C 2.007 178.796 176.870 -0.134 0.000 1.077 328 L CA 1.564 56.318 54.840 -0.144 0.000 0.747 328 L CB -1.009 40.986 42.059 -0.107 0.000 0.896 328 L HN 0.346 nan 8.230 nan 0.000 0.432 329 L N -1.579 119.543 121.223 -0.168 0.000 2.017 329 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 329 L C 2.489 179.391 176.870 0.053 0.000 1.073 329 L CA 1.025 55.793 54.840 -0.120 0.000 0.745 329 L CB -0.621 41.266 42.059 -0.287 0.000 0.894 329 L HN 0.068 nan 8.230 nan 0.000 0.432 330 V N -0.038 119.831 119.914 -0.076 0.000 2.407 330 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 330 V C 2.094 178.161 176.094 -0.045 0.000 1.055 330 V CA 1.982 64.259 62.300 -0.039 0.000 1.049 330 V CB -0.729 31.030 31.823 -0.107 0.000 0.662 330 V HN 0.487 nan 8.190 nan 0.000 0.455 331 N N 0.046 118.679 118.700 -0.111 0.000 2.520 331 N HA -0.103 4.637 4.740 -0.000 0.000 0.185 331 N C 1.541 177.031 175.510 -0.034 0.000 1.068 331 N CA 1.150 54.159 53.050 -0.070 0.000 0.911 331 N CB -0.051 38.383 38.487 -0.088 0.000 0.961 331 N HN 0.402 nan 8.380 nan 0.000 0.446 332 S N -1.577 114.130 115.700 0.012 0.000 2.556 332 S HA 0.317 4.786 4.470 -0.000 0.000 0.216 332 S C 1.089 175.666 174.600 -0.039 0.000 0.970 332 S CA 0.264 58.480 58.200 0.027 0.000 0.912 332 S CB 0.563 63.845 63.200 0.138 0.000 0.790 332 S HN 0.536 nan 8.310 nan 0.000 0.504 333 G N 1.142 109.924 108.800 -0.030 0.000 2.157 333 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.239 333 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.239 333 G C -0.062 174.739 174.900 -0.165 0.000 0.982 333 G CA -0.522 44.514 45.100 -0.106 0.000 0.650 333 G HN 0.412 nan 8.290 nan 0.000 0.527 334 F N 0.886 120.806 119.950 -0.050 0.000 2.382 334 F HA 0.525 5.051 4.527 -0.000 0.000 0.331 334 F C 1.692 177.498 175.800 0.010 0.000 1.121 334 F CA 1.114 59.097 58.000 -0.029 0.000 1.183 334 F CB 0.774 39.728 39.000 -0.077 0.000 1.207 334 F HN 0.768 nan 8.300 nan 0.000 0.555 335 G N 1.784 110.723 108.800 0.232 0.000 2.596 335 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.295 335 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.295 335 G C -0.682 174.290 174.900 0.120 0.000 1.240 335 G CA 0.146 45.350 45.100 0.173 0.000 0.985 335 G HN 0.813 nan 8.290 nan 0.000 0.555 336 Q N -1.141 118.737 119.800 0.129 0.000 2.305 336 Q HA 0.631 4.971 4.340 -0.000 0.000 0.271 336 Q C -1.106 174.979 176.000 0.142 0.000 1.046 336 Q CA -0.965 54.897 55.803 0.098 0.000 0.798 336 Q CB 1.806 30.584 28.738 0.066 0.000 1.286 336 Q HN 0.733 nan 8.270 nan 0.000 0.435 337 L N 3.108 124.402 121.223 0.119 0.000 2.395 337 L HA 0.781 5.121 4.340 -0.000 0.000 0.269 337 L C 0.359 177.315 176.870 0.144 0.000 1.133 337 L CA 1.769 56.708 54.840 0.166 0.000 0.812 337 L CB 1.184 43.314 42.059 0.118 0.000 1.125 337 L HN 0.825 nan 8.230 nan 0.000 0.452 338 G N 3.456 112.397 108.800 0.235 0.000 2.685 338 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.387 338 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.387 338 G C -0.596 174.209 174.900 -0.158 0.000 1.324 338 G CA -0.278 44.914 45.100 0.153 0.000 0.878 338 G HN 0.879 nan 8.290 nan 0.000 0.527 339 R N 0.751 120.912 120.500 -0.565 0.000 2.489 339 R HA 0.412 4.751 4.340 -0.000 0.000 0.287 339 R C -1.876 173.999 176.300 -0.708 0.000 1.053 339 R CA -0.643 54.676 56.100 -1.303 0.000 1.036 339 R CB 0.043 29.827 30.300 -0.860 0.000 0.966 339 R HN 0.367 nan 8.270 nan 0.000 0.432 340 P HA 0.031 nan 4.420 nan 0.000 0.269 340 P C -1.331 175.821 177.300 -0.246 0.000 1.209 340 P CA 0.005 62.892 63.100 -0.355 0.000 0.776 340 P CB 0.517 32.039 31.700 -0.296 0.000 0.876 341 N N 1.901 120.513 118.700 -0.148 0.000 2.410 341 N HA 0.243 4.983 4.740 -0.000 0.000 0.287 341 N C -1.777 173.693 175.510 -0.067 0.000 1.044 341 N CA -1.870 51.118 53.050 -0.103 0.000 0.881 341 N CB 1.485 39.922 38.487 -0.084 0.000 1.405 341 N HN 0.193 nan 8.380 nan 0.000 0.490 342 P HA -0.028 nan 4.420 nan 0.000 0.226 342 P C 0.543 177.827 177.300 -0.025 0.000 1.153 342 P CA 0.626 63.703 63.100 -0.037 0.000 0.777 342 P CB 0.267 31.946 31.700 -0.036 0.000 0.794 343 A N -0.673 122.129 122.820 -0.029 0.000 2.218 343 A HA 0.033 4.353 4.320 -0.000 0.000 0.209 343 A C 1.260 178.833 177.584 -0.018 0.000 1.168 343 A CA 0.200 52.224 52.037 -0.022 0.000 0.804 343 A CB -0.677 18.308 19.000 -0.024 0.000 0.834 343 A HN 0.227 nan 8.150 nan 0.000 0.482 344 N N 0.393 119.080 118.700 -0.021 0.000 2.673 344 N HA 0.192 4.931 4.740 -0.000 0.000 0.265 344 N C -3.211 172.294 175.510 -0.009 0.000 1.709 344 N CA -1.016 52.025 53.050 -0.015 0.000 0.792 344 N CB 0.857 39.332 38.487 -0.020 0.000 1.286 344 N HN -0.059 nan 8.380 nan 0.000 0.506 345 P HA 0.052 nan 4.420 nan 0.000 0.264 345 P C -2.419 174.893 177.300 0.020 0.000 1.179 345 P CA -0.287 62.822 63.100 0.014 0.000 0.763 345 P CB 0.128 31.840 31.700 0.020 0.000 0.806 346 P HA 0.086 nan 4.420 nan 0.000 0.274 346 P C 0.665 177.991 177.300 0.043 0.000 1.231 346 P CA -0.082 63.043 63.100 0.040 0.000 0.790 346 P CB 1.033 32.772 31.700 0.064 0.000 0.951 347 E N 0.435 120.653 120.200 0.031 0.000 2.106 347 E HA -0.043 4.307 4.350 -0.000 0.000 0.192 347 E C 0.118 176.752 176.600 0.056 0.000 0.984 347 E CA 0.829 57.247 56.400 0.030 0.000 0.806 347 E CB 0.065 29.769 29.700 0.008 0.000 0.750 347 E HN 0.414 nan 8.360 nan 0.000 0.458 348 L N 1.140 122.406 121.223 0.072 0.000 2.322 348 L HA 0.279 4.619 4.340 -0.000 0.000 0.281 348 L C 0.091 177.085 176.870 0.208 0.000 1.014 348 L CA -0.636 54.289 54.840 0.141 0.000 0.815 348 L CB 1.754 43.862 42.059 0.082 0.000 1.247 348 L HN 0.095 nan 8.230 nan 0.000 0.421 349 L N 3.935 125.302 121.223 0.240 0.000 3.746 349 L HA -0.181 4.159 4.340 -0.000 0.000 0.542 349 L C -1.388 175.594 176.870 0.185 0.000 1.268 349 L CA -0.489 54.491 54.840 0.234 0.000 0.818 349 L CB -0.843 41.380 42.059 0.274 0.000 1.472 349 L HN 0.602 nan 8.230 nan 0.000 0.843 350 P HA -0.126 nan 4.420 nan 0.000 0.225 350 P C 1.226 178.621 177.300 0.159 0.000 1.148 350 P CA 1.105 64.282 63.100 0.129 0.000 0.779 350 P CB 0.325 32.082 31.700 0.096 0.000 0.780 351 S N -0.690 115.123 115.700 0.189 0.000 2.558 351 S HA 0.066 4.536 4.470 -0.000 0.000 0.217 351 S C 0.836 175.591 174.600 0.257 0.000 0.975 351 S CA -0.417 57.938 58.200 0.259 0.000 0.912 351 S CB -0.656 62.687 63.200 0.239 0.000 0.776 351 S HN 0.069 nan 8.310 nan 0.000 0.526 352 L N 2.385 123.739 121.223 0.219 0.000 2.559 352 L HA 0.382 4.722 4.340 -0.000 0.000 0.274 352 L C 1.181 178.191 176.870 0.232 0.000 1.205 352 L CA 1.152 56.124 54.840 0.219 0.000 0.907 352 L CB -0.414 41.764 42.059 0.198 0.000 1.153 352 L HN 0.343 nan 8.230 nan 0.000 0.490 353 G N 2.425 111.371 108.800 0.244 0.000 2.162 353 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 353 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 353 G C 0.430 175.453 174.900 0.204 0.000 0.976 353 G CA 0.356 45.600 45.100 0.241 0.000 0.655 353 G HN 0.836 nan 8.290 nan 0.000 0.533 354 S N -1.560 114.263 115.700 0.204 0.000 2.664 354 S HA 0.653 5.123 4.470 -0.000 0.000 0.304 354 S C 0.358 175.089 174.600 0.218 0.000 1.099 354 S CA 0.075 58.334 58.200 0.098 0.000 1.003 354 S CB 0.937 64.124 63.200 -0.021 0.000 1.092 354 S HN 0.939 nan 8.310 nan 0.000 0.525 355 Y N -0.971 119.394 120.300 0.108 0.000 4.177 355 Y HA -0.206 4.344 4.550 -0.000 0.000 0.227 355 Y C 0.497 176.475 175.900 0.129 0.000 1.154 355 Y CA 0.217 58.379 58.100 0.103 0.000 1.887 355 Y CB -2.253 36.264 38.460 0.094 0.000 1.594 355 Y HN 0.623 nan 8.280 nan 0.000 0.668 356 I N 0.078 120.790 120.570 0.237 0.000 2.754 356 I HA 0.466 4.636 4.170 -0.000 0.000 0.285 356 I C 0.667 176.946 176.117 0.270 0.000 1.166 356 I CA 0.476 61.919 61.300 0.239 0.000 1.417 356 I CB 1.283 39.427 38.000 0.239 0.000 1.382 356 I HN 0.214 nan 8.210 nan 0.000 0.588 357 T N 1.930 116.603 114.554 0.199 0.000 2.876 357 T HA 0.680 5.030 4.350 -0.000 0.000 0.289 357 T C -0.669 174.049 174.700 0.029 0.000 1.014 357 T CA -0.686 61.516 62.100 0.169 0.000 0.986 357 T CB 2.047 70.959 68.868 0.074 0.000 1.021 357 T HN 0.828 nan 8.240 nan 0.000 0.458 358 E N 1.259 121.453 120.200 -0.010 0.000 2.340 358 E HA 0.364 4.713 4.350 -0.000 0.000 0.273 358 E C -1.042 175.654 176.600 0.159 0.000 0.891 358 E CA -0.581 55.765 56.400 -0.090 0.000 0.757 358 E CB 2.052 31.483 29.700 -0.449 0.000 1.231 358 E HN 0.720 nan 8.360 nan 0.000 0.439 359 Q N 1.029 120.925 119.800 0.160 0.000 2.340 359 Q HA 0.417 4.757 4.340 -0.000 0.000 0.249 359 Q C -0.406 175.791 176.000 0.329 0.000 0.957 359 Q CA -0.331 55.618 55.803 0.243 0.000 0.882 359 Q CB 1.124 30.017 28.738 0.258 0.000 1.235 359 Q HN 0.459 nan 8.270 nan 0.000 0.439 360 S N 1.568 117.390 115.700 0.202 0.000 2.549 360 S HA 0.250 4.720 4.470 -0.000 0.000 0.283 360 S C -0.642 173.999 174.600 0.069 0.000 1.320 360 S CA -0.402 57.791 58.200 -0.012 0.000 1.058 360 S CB 0.304 63.402 63.200 -0.169 0.000 0.882 360 S HN 0.350 nan 8.310 nan 0.000 0.498 361 L N 5.100 126.336 121.223 0.021 0.000 2.376 361 L HA 0.671 5.011 4.340 -0.000 0.000 0.275 361 L C -0.698 176.034 176.870 -0.230 0.000 0.987 361 L CA -0.668 54.090 54.840 -0.138 0.000 0.828 361 L CB 1.577 43.552 42.059 -0.139 0.000 1.249 361 L HN 0.475 nan 8.230 nan 0.000 0.409 362 V N 2.221 121.918 119.914 -0.363 0.000 2.630 362 V HA 0.746 4.866 4.120 -0.000 0.000 0.305 362 V C -0.908 175.053 176.094 -0.222 0.000 1.046 362 V CA -0.636 61.376 62.300 -0.480 0.000 0.934 362 V CB 1.618 32.974 31.823 -0.778 0.000 1.003 362 V HN 0.785 nan 8.190 nan 0.000 0.451 363 F N 4.533 124.275 119.950 -0.346 0.000 2.619 363 F HA 0.872 5.399 4.527 -0.000 0.000 0.308 363 F C -0.389 175.278 175.800 -0.223 0.000 1.097 363 F CA -0.121 57.750 58.000 -0.216 0.000 0.953 363 F CB 1.586 40.502 39.000 -0.141 0.000 1.287 363 F HN 1.222 nan 8.300 nan 0.000 0.446 364 C N 2.405 121.033 119.300 -1.120 0.000 3.295 364 C HA 0.786 5.246 4.460 -0.000 0.000 0.341 364 C C -1.776 172.609 174.990 -1.010 0.000 1.418 364 C CA -0.745 57.586 59.018 -1.145 0.000 1.240 364 C CB 1.613 28.977 27.740 -0.626 0.000 1.562 364 C HN 0.982 nan 8.230 nan 0.000 0.457 365 Q N 0.532 120.005 119.800 -0.544 0.000 2.413 365 Q HA 0.768 5.107 4.340 -0.000 0.000 0.276 365 Q C -0.538 175.481 176.000 0.031 0.000 1.099 365 Q CA -0.210 55.504 55.803 -0.150 0.000 0.814 365 Q CB 2.703 31.344 28.738 -0.163 0.000 1.379 365 Q HN 0.945 nan 8.270 nan 0.000 0.436 366 T N -2.480 112.170 114.554 0.161 0.000 2.924 366 T HA 0.711 5.061 4.350 -0.000 0.000 0.291 366 T C -0.536 174.218 174.700 0.089 0.000 1.045 366 T CA -0.724 61.440 62.100 0.106 0.000 1.015 366 T CB 1.217 70.152 68.868 0.111 0.000 1.103 366 T HN 0.258 nan 8.240 nan 0.000 0.496 367 V N 2.886 122.820 119.914 0.033 0.000 2.384 367 V HA 0.401 4.521 4.120 -0.000 0.000 0.287 367 V C 0.337 176.437 176.094 0.011 0.000 1.020 367 V CA -0.934 61.378 62.300 0.020 0.000 0.850 367 V CB 1.089 32.914 31.823 0.004 0.000 0.987 367 V HN 1.031 nan 8.190 nan 0.000 0.436 368 M N 4.818 124.432 119.600 0.024 0.000 2.248 368 M HA 0.095 4.575 4.480 -0.000 0.000 0.343 368 M C 0.892 177.194 176.300 0.003 0.000 1.243 368 M CA 0.722 56.037 55.300 0.025 0.000 1.025 368 M CB 0.612 33.227 32.600 0.024 0.000 1.759 368 M HN 0.944 nan 8.290 nan 0.000 0.452 369 S N 2.593 118.292 115.700 -0.001 0.000 2.568 369 S HA 0.062 4.532 4.470 -0.000 0.000 0.282 369 S C 1.016 175.614 174.600 -0.003 0.000 1.338 369 S CA -0.092 58.098 58.200 -0.015 0.000 1.045 369 S CB 0.544 63.730 63.200 -0.023 0.000 0.873 369 S HN 0.812 nan 8.310 nan 0.000 0.516 370 T N 2.126 116.675 114.554 -0.008 0.000 2.699 370 T HA -0.157 4.192 4.350 -0.000 0.000 0.268 370 T C 1.659 176.363 174.700 0.007 0.000 1.036 370 T CA 1.976 64.076 62.100 -0.001 0.000 1.147 370 T CB -0.508 68.356 68.868 -0.005 0.000 0.862 370 T HN 0.768 nan 8.240 nan 0.000 0.446 371 E N 0.622 120.822 120.200 0.001 0.000 2.058 371 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 371 E C 2.325 178.939 176.600 0.023 0.000 0.997 371 E CA 0.944 57.347 56.400 0.006 0.000 0.801 371 E CB -0.315 29.381 29.700 -0.006 0.000 0.746 371 E HN 0.441 nan 8.360 nan 0.000 0.450 372 L N 0.765 122.004 121.223 0.026 0.000 2.017 372 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 372 L C 2.496 179.403 176.870 0.062 0.000 1.073 372 L CA 0.586 55.456 54.840 0.050 0.000 0.745 372 L CB -0.332 41.755 42.059 0.048 0.000 0.894 372 L HN 0.185 nan 8.230 nan 0.000 0.432 373 I N 0.012 120.606 120.570 0.039 0.000 2.179 373 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 373 I C 2.221 178.366 176.117 0.047 0.000 1.088 373 I CA 1.531 62.851 61.300 0.032 0.000 1.357 373 I CB -1.206 36.802 38.000 0.015 0.000 1.051 373 I HN 0.287 nan 8.210 nan 0.000 0.409 374 D N 0.855 121.281 120.400 0.044 0.000 2.133 374 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 374 D C 2.369 178.716 176.300 0.078 0.000 0.997 374 D CA 1.859 55.889 54.000 0.051 0.000 0.840 374 D CB -0.217 40.604 40.800 0.036 0.000 0.947 374 D HN 0.393 nan 8.370 nan 0.000 0.452 375 S N 0.146 115.900 115.700 0.091 0.000 2.419 375 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 375 S C 2.199 176.948 174.600 0.248 0.000 1.019 375 S CA 0.988 59.273 58.200 0.142 0.000 0.982 375 S CB -0.627 62.646 63.200 0.123 0.000 0.789 375 S HN 0.106 nan 8.310 nan 0.000 0.490 376 V N 3.073 123.111 119.914 0.208 0.000 2.453 376 V HA -0.192 3.927 4.120 -0.000 0.000 0.252 376 V C 2.225 178.457 176.094 0.229 0.000 1.068 376 V CA 2.219 64.666 62.300 0.245 0.000 1.070 376 V CB -0.875 30.990 31.823 0.070 0.000 0.664 376 V HN 0.838 nan 8.190 nan 0.000 0.461 377 K N 0.193 120.685 120.400 0.154 0.000 2.498 377 K HA 0.186 4.506 4.320 -0.000 0.000 0.207 377 K C 1.625 178.293 176.600 0.115 0.000 1.033 377 K CA 0.676 57.036 56.287 0.122 0.000 1.138 377 K CB 0.229 32.779 32.500 0.083 0.000 0.860 377 K HN 0.428 nan 8.250 nan 0.000 0.490 378 S N 1.067 116.856 115.700 0.148 0.000 2.400 378 S HA -0.181 4.288 4.470 -0.000 0.000 0.232 378 S C 1.027 175.654 174.600 0.045 0.000 1.025 378 S CA 1.403 59.651 58.200 0.080 0.000 0.993 378 S CB -0.301 62.927 63.200 0.047 0.000 0.808 378 S HN 0.307 nan 8.310 nan 0.000 0.478 379 D N 0.935 121.378 120.400 0.072 0.000 2.340 379 D HA 0.214 4.854 4.640 -0.000 0.000 0.220 379 D C 0.204 176.549 176.300 0.076 0.000 1.039 379 D CA 0.334 54.360 54.000 0.043 0.000 0.866 379 D CB -0.053 40.762 40.800 0.026 0.000 0.913 379 D HN 0.389 nan 8.370 nan 0.000 0.523 380 M N 0.287 119.930 119.600 0.072 0.000 2.314 380 M HA 0.235 4.715 4.480 -0.000 0.000 0.342 380 M C 0.236 176.561 176.300 0.042 0.000 1.171 380 M CA -0.060 55.285 55.300 0.075 0.000 1.098 380 M CB 1.177 33.812 32.600 0.058 0.000 1.559 380 M HN -0.331 nan 8.290 nan 0.000 0.459 381 T N 4.099 118.670 114.554 0.029 0.000 2.749 381 T HA 0.635 4.984 4.350 -0.000 0.000 0.287 381 T C 0.155 174.827 174.700 -0.048 0.000 0.970 381 T CA -0.345 61.751 62.100 -0.006 0.000 0.980 381 T CB 0.419 69.281 68.868 -0.011 0.000 0.924 381 T HN 0.434 nan 8.240 nan 0.000 0.456 382 I N 4.492 125.030 120.570 -0.053 0.000 2.359 382 I HA 0.381 4.551 4.170 -0.000 0.000 0.284 382 I C 0.357 176.422 176.117 -0.086 0.000 1.018 382 I CA -0.705 60.529 61.300 -0.110 0.000 1.173 382 I CB 0.868 38.842 38.000 -0.043 0.000 1.326 382 I HN 0.337 nan 8.210 nan 0.000 0.462 383 R N 4.390 124.804 120.500 -0.143 0.000 2.532 383 R HA 0.791 5.131 4.340 -0.000 0.000 0.295 383 R C 0.290 176.566 176.300 -0.039 0.000 0.968 383 R CA -0.652 55.405 56.100 -0.071 0.000 0.916 383 R CB 1.865 32.127 30.300 -0.065 0.000 1.124 383 R HN 0.798 nan 8.270 nan 0.000 0.463 384 G N 0.950 109.781 108.800 0.051 0.000 2.782 384 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.228 384 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.228 384 G C -0.475 174.580 174.900 0.257 0.000 1.372 384 G CA -0.334 44.846 45.100 0.134 0.000 0.862 384 G HN 0.765 nan 8.290 nan 0.000 0.547 385 T N -0.787 113.906 114.554 0.231 0.000 2.855 385 T HA 0.719 5.069 4.350 -0.000 0.000 0.281 385 T C -2.538 172.143 174.700 -0.031 0.000 1.007 385 T CA -1.476 60.710 62.100 0.143 0.000 1.009 385 T CB 2.262 71.156 68.868 0.043 0.000 0.983 385 T HN 0.521 nan 8.240 nan 0.000 0.455 386 P HA 0.271 nan 4.420 nan 0.000 0.266 386 P C 1.264 178.299 177.300 -0.442 0.000 1.193 386 P CA 1.185 63.660 63.100 -1.040 0.000 0.770 386 P CB 0.158 31.420 31.700 -0.729 0.000 0.836 387 G N 0.394 108.974 108.800 -0.367 0.000 2.267 387 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.257 387 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.257 387 G C 0.280 175.136 174.900 -0.073 0.000 0.998 387 G CA -0.074 44.932 45.100 -0.158 0.000 0.620 387 G HN 0.518 nan 8.290 nan 0.000 0.529 388 E N -0.260 119.910 120.200 -0.049 0.000 2.314 388 E HA 0.559 4.909 4.350 -0.000 0.000 0.262 388 E C 1.485 178.115 176.600 0.050 0.000 1.093 388 E CA -0.737 55.669 56.400 0.011 0.000 0.908 388 E CB 0.727 30.444 29.700 0.028 0.000 1.091 388 E HN 0.092 nan 8.360 nan 0.000 0.425 389 L N 0.799 122.047 121.223 0.041 0.000 2.376 389 L HA -0.091 4.248 4.340 -0.000 0.000 0.219 389 L C 2.185 179.090 176.870 0.058 0.000 1.133 389 L CA 1.447 56.313 54.840 0.043 0.000 0.816 389 L CB -1.135 40.939 42.059 0.025 0.000 0.933 389 L HN 0.620 nan 8.230 nan 0.000 0.449 390 T N -3.869 110.728 114.554 0.071 0.000 3.035 390 T HA -0.110 4.240 4.350 -0.000 0.000 0.259 390 T C 0.853 175.614 174.700 0.102 0.000 1.078 390 T CA -0.204 61.938 62.100 0.069 0.000 1.132 390 T CB -0.513 68.389 68.868 0.058 0.000 0.900 390 T HN 0.094 nan 8.240 nan 0.000 0.480 391 Y N 2.888 123.187 120.300 -0.002 0.000 2.881 391 Y HA 0.339 4.889 4.550 -0.000 0.000 0.335 391 Y C 0.278 176.178 175.900 -0.000 0.000 1.263 391 Y CA 0.048 58.147 58.100 -0.001 0.000 1.572 391 Y CB 0.079 38.536 38.460 -0.004 0.000 1.237 391 Y HN 0.268 nan 8.280 nan 0.000 0.568 392 S N 5.125 120.568 115.700 -0.428 0.000 2.571 392 S HA 0.703 5.172 4.470 -0.000 0.000 0.284 392 S C -1.870 172.442 174.600 -0.479 0.000 1.128 392 S CA -0.749 57.245 58.200 -0.343 0.000 0.970 392 S CB 0.785 63.890 63.200 -0.158 0.000 1.039 392 S HN 0.454 nan 8.310 nan 0.000 0.485 393 V N 4.838 124.550 119.914 -0.336 0.000 2.407 393 V HA 0.704 4.823 4.120 -0.000 0.000 0.291 393 V C -0.012 176.054 176.094 -0.046 0.000 1.018 393 V CA -0.469 61.713 62.300 -0.197 0.000 0.842 393 V CB 1.261 33.000 31.823 -0.139 0.000 0.996 393 V HN 1.017 nan 8.190 nan 0.000 0.426 394 T N 1.807 116.359 114.554 -0.002 0.000 2.896 394 T HA 0.856 5.206 4.350 -0.000 0.000 0.297 394 T C -1.058 173.726 174.700 0.141 0.000 1.108 394 T CA -0.794 61.335 62.100 0.047 0.000 1.004 394 T CB 2.282 71.131 68.868 -0.030 0.000 1.159 394 T HN 0.800 nan 8.240 nan 0.000 0.499 395 Y N -1.559 118.732 120.300 -0.015 0.000 2.562 395 Y HA 0.742 5.292 4.550 -0.000 0.000 0.345 395 Y C -0.934 174.960 175.900 -0.009 0.000 1.045 395 Y CA -1.280 56.815 58.100 -0.008 0.000 1.028 395 Y CB 0.948 39.413 38.460 0.007 0.000 1.297 395 Y HN 0.687 nan 8.280 nan 0.000 0.463 396 T N 4.652 119.164 114.554 -0.069 0.000 2.738 396 T HA 0.390 4.740 4.350 -0.000 0.000 0.298 396 T C -2.729 171.935 174.700 -0.060 0.000 0.962 396 T CA -1.340 60.671 62.100 -0.148 0.000 0.972 396 T CB 0.624 69.460 68.868 -0.054 0.000 0.928 396 T HN 0.404 nan 8.240 nan 0.000 0.474 397 P HA 0.173 nan 4.420 nan 0.000 0.266 397 P C 1.285 178.616 177.300 0.051 0.000 1.193 397 P CA 0.750 63.880 63.100 0.050 0.000 0.770 397 P CB 0.251 31.945 31.700 -0.009 0.000 0.836 398 G N 1.234 110.082 108.800 0.079 0.000 2.270 398 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.268 398 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.268 398 G C 0.586 175.497 174.900 0.017 0.000 0.982 398 G CA 0.325 45.449 45.100 0.039 0.000 0.628 398 G HN 0.902 nan 8.290 nan 0.000 0.544 399 A N 0.370 123.201 122.820 0.019 0.000 2.587 399 A HA 0.498 4.818 4.320 -0.000 0.000 0.233 399 A C 1.768 179.343 177.584 -0.015 0.000 1.049 399 A CA 1.618 53.655 52.037 0.000 0.000 0.754 399 A CB 0.180 19.183 19.000 0.005 0.000 0.977 399 A HN 1.826 nan 8.150 nan 0.000 0.509 400 S N 0.460 116.145 115.700 -0.024 0.000 2.501 400 S HA -0.079 4.391 4.470 -0.000 0.000 0.220 400 S C 1.353 175.921 174.600 -0.052 0.000 0.997 400 S CA 1.050 59.229 58.200 -0.035 0.000 0.919 400 S CB -0.608 62.576 63.200 -0.027 0.000 0.778 400 S HN 1.040 nan 8.310 nan 0.000 0.523 401 T N 0.178 114.702 114.554 -0.050 0.000 3.085 401 T HA 0.148 4.497 4.350 -0.000 0.000 0.263 401 T C 0.448 175.090 174.700 -0.096 0.000 1.127 401 T CA -0.188 61.873 62.100 -0.065 0.000 1.103 401 T CB -0.719 68.119 68.868 -0.049 0.000 0.921 401 T HN 0.239 nan 8.240 nan 0.000 0.510 402 N N 2.578 121.223 118.700 -0.091 0.000 2.411 402 N HA 0.075 4.815 4.740 -0.000 0.000 0.265 402 N C 1.047 176.403 175.510 -0.257 0.000 1.266 402 N CA -0.020 52.947 53.050 -0.138 0.000 0.889 402 N CB 0.681 39.118 38.487 -0.084 0.000 1.069 402 N HN 0.167 nan 8.380 nan 0.000 0.476 403 K N 1.487 121.634 120.400 -0.421 0.000 2.288 403 K HA -0.018 4.302 4.320 -0.000 0.000 0.201 403 K C -0.033 175.993 176.600 -0.957 0.000 1.048 403 K CA 1.006 56.877 56.287 -0.693 0.000 0.956 403 K CB 0.053 32.008 32.500 -0.908 0.000 0.746 403 K HN 0.584 nan 8.250 nan 0.000 0.461 404 H N -0.378 118.391 119.070 -0.502 0.000 2.747 404 H HA 0.314 4.870 4.556 -0.000 0.000 0.371 404 H C -2.357 172.659 175.328 -0.519 0.000 1.161 404 H CA -2.536 53.049 56.048 -0.770 0.000 1.167 404 H CB 1.668 30.623 29.762 -1.345 0.000 1.732 404 H HN -0.128 nan 8.280 nan 0.000 0.544 405 P HA 0.044 nan 4.420 nan 0.000 0.274 405 P C 0.219 177.314 177.300 -0.342 0.000 1.246 405 P CA -0.259 62.650 63.100 -0.317 0.000 0.795 405 P CB 1.438 32.944 31.700 -0.322 0.000 1.006 406 D N 0.262 120.601 120.400 -0.101 0.000 2.144 406 D HA -0.128 4.511 4.640 -0.000 0.000 0.199 406 D C 1.887 178.203 176.300 0.027 0.000 0.984 406 D CA 1.263 55.284 54.000 0.035 0.000 0.834 406 D CB -0.525 40.397 40.800 0.204 0.000 0.955 406 D HN 0.606 nan 8.370 nan 0.000 0.465 407 W N 0.194 121.566 121.300 0.119 0.000 2.374 407 W HA -0.144 4.516 4.660 -0.000 0.000 0.288 407 W C 1.901 178.489 176.519 0.114 0.000 1.218 407 W CA 0.161 57.569 57.345 0.105 0.000 1.245 407 W CB -1.292 28.226 29.460 0.097 0.000 1.126 407 W HN 0.070 nan 8.180 nan 0.000 0.545 408 W N 3.425 124.215 121.300 -0.851 0.000 2.413 408 W HA -0.156 4.504 4.660 -0.000 0.000 0.315 408 W C 1.892 178.126 176.519 -0.475 0.000 1.186 408 W CA 1.655 58.504 57.345 -0.828 0.000 1.326 408 W CB -1.044 27.738 29.460 -1.131 0.000 1.153 408 W HN -0.138 nan 8.180 nan 0.000 0.489 409 N N 1.060 119.676 118.700 -0.140 0.000 2.149 409 N HA -0.213 4.527 4.740 -0.000 0.000 0.188 409 N C 1.493 176.669 175.510 -0.557 0.000 1.019 409 N CA 1.992 54.758 53.050 -0.472 0.000 0.857 409 N CB -0.642 37.228 38.487 -1.028 0.000 0.997 409 N HN 0.254 nan 8.380 nan 0.000 0.426 410 E N 1.339 121.354 120.200 -0.307 0.000 2.072 410 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 410 E C 1.626 178.251 176.600 0.042 0.000 0.985 410 E CA 1.284 57.695 56.400 0.019 0.000 0.801 410 E CB 0.038 29.844 29.700 0.177 0.000 0.750 410 E HN 0.249 nan 8.360 nan 0.000 0.452 411 K N -0.477 119.939 120.400 0.027 0.000 2.057 411 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 411 K C 2.095 178.686 176.600 -0.015 0.000 1.049 411 K CA 1.383 57.683 56.287 0.022 0.000 0.931 411 K CB -0.111 32.394 32.500 0.009 0.000 0.714 411 K HN 0.029 nan 8.250 nan 0.000 0.440 412 V N 2.096 121.959 119.914 -0.084 0.000 2.307 412 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 412 V C 2.409 178.522 176.094 0.032 0.000 1.045 412 V CA 1.698 63.962 62.300 -0.060 0.000 1.024 412 V CB -0.474 31.296 31.823 -0.087 0.000 0.651 412 V HN 0.365 nan 8.190 nan 0.000 0.449 413 K N 0.554 120.967 120.400 0.022 0.000 2.020 413 K HA -0.274 4.046 4.320 -0.000 0.000 0.212 413 K C 1.975 178.622 176.600 0.078 0.000 1.050 413 K CA 2.291 58.625 56.287 0.078 0.000 0.929 413 K CB -0.384 32.216 32.500 0.167 0.000 0.714 413 K HN 0.421 nan 8.250 nan 0.000 0.443 414 N N 0.364 119.115 118.700 0.084 0.000 2.166 414 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 414 N C 1.812 177.362 175.510 0.067 0.000 1.019 414 N CA 1.467 54.560 53.050 0.072 0.000 0.856 414 N CB -0.640 37.897 38.487 0.085 0.000 0.993 414 N HN 0.483 nan 8.380 nan 0.000 0.426 415 H N 0.625 119.705 119.070 0.018 0.000 2.326 415 H HA 0.109 4.664 4.556 -0.000 0.000 0.301 415 H C 2.055 177.406 175.328 0.039 0.000 1.081 415 H CA 1.683 57.747 56.048 0.027 0.000 1.334 415 H CB -0.105 29.600 29.762 -0.095 0.000 1.385 415 H HN 0.078 nan 8.280 nan 0.000 0.504 416 M N -0.737 118.840 119.600 -0.039 0.000 2.213 416 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 416 M C 1.716 178.045 176.300 0.049 0.000 1.062 416 M CA 1.167 56.461 55.300 -0.009 0.000 1.105 416 M CB 0.041 32.712 32.600 0.117 0.000 1.385 416 M HN 0.365 nan 8.290 nan 0.000 0.417 417 M N -0.629 118.988 119.600 0.030 0.000 2.334 417 M HA -0.052 4.428 4.480 -0.000 0.000 0.266 417 M C 1.976 178.246 176.300 -0.050 0.000 1.082 417 M CA 1.328 56.660 55.300 0.053 0.000 1.141 417 M CB -0.804 31.817 32.600 0.035 0.000 1.380 417 M HN 0.252 nan 8.290 nan 0.000 0.440 418 Q N -0.460 119.236 119.800 -0.174 0.000 2.331 418 Q HA -0.015 4.325 4.340 -0.000 0.000 0.203 418 Q C 0.093 175.714 176.000 -0.632 0.000 0.944 418 Q CA 0.881 56.457 55.803 -0.378 0.000 0.892 418 Q CB 0.359 28.838 28.738 -0.431 0.000 0.983 418 Q HN 0.571 nan 8.270 nan 0.000 0.482 419 H N 0.309 119.276 119.070 -0.172 0.000 2.336 419 H HA 0.246 4.802 4.556 -0.000 0.000 0.230 419 H C 0.403 175.625 175.328 -0.177 0.000 1.426 419 H CA -0.118 55.831 56.048 -0.165 0.000 1.359 419 H CB 0.492 30.105 29.762 -0.248 0.000 1.555 419 H HN 0.214 nan 8.280 nan 0.000 0.512 420 Q N 0.688 120.448 119.800 -0.067 0.000 2.364 420 Q HA -0.113 4.227 4.340 -0.000 0.000 0.207 420 Q C 1.846 177.778 176.000 -0.114 0.000 0.970 420 Q CA 0.911 56.634 55.803 -0.133 0.000 0.888 420 Q CB 0.417 29.039 28.738 -0.194 0.000 0.951 420 Q HN 0.540 nan 8.270 nan 0.000 0.469 421 E N 1.090 121.274 120.200 -0.027 0.000 2.358 421 E HA -0.116 4.233 4.350 -0.000 0.000 0.195 421 E C -0.263 176.361 176.600 0.040 0.000 1.010 421 E CA 0.548 56.949 56.400 0.003 0.000 0.856 421 E CB -0.065 29.658 29.700 0.038 0.000 0.795 421 E HN 0.159 nan 8.360 nan 0.000 0.504 422 D N 2.168 122.607 120.400 0.065 0.000 2.277 422 D HA 0.107 4.746 4.640 -0.000 0.000 0.249 422 D C -1.554 174.788 176.300 0.070 0.000 1.134 422 D CA -2.037 52.030 54.000 0.112 0.000 0.863 422 D CB 1.533 42.428 40.800 0.158 0.000 1.143 422 D HN -0.150 nan 8.370 nan 0.000 0.458 423 P HA 0.094 nan 4.420 nan 0.000 0.249 423 P C -0.210 177.127 177.300 0.061 0.000 1.229 423 P CA 0.195 63.327 63.100 0.053 0.000 0.788 423 P CB 0.362 32.087 31.700 0.041 0.000 1.072 424 L N 1.604 122.875 121.223 0.080 0.000 2.331 424 L HA 0.375 4.714 4.340 -0.000 0.000 0.275 424 L C -1.380 175.529 176.870 0.065 0.000 1.022 424 L CA -2.269 52.597 54.840 0.043 0.000 0.812 424 L CB 2.250 44.305 42.059 -0.007 0.000 1.257 424 L HN -0.301 nan 8.230 nan 0.000 0.435 425 P HA 0.096 nan 4.420 nan 0.000 0.251 425 P C 0.182 177.362 177.300 -0.199 0.000 1.223 425 P CA 0.541 63.643 63.100 0.002 0.000 0.796 425 P CB 0.368 32.068 31.700 -0.001 0.000 1.068 426 I N 2.217 122.578 120.570 -0.348 0.000 2.371 426 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 426 I C -2.146 173.490 176.117 -0.801 0.000 1.028 426 I CA -2.810 58.218 61.300 -0.453 0.000 1.345 426 I CB 0.766 38.588 38.000 -0.296 0.000 1.407 426 I HN -0.249 nan 8.210 nan 0.000 0.501 427 P HA -0.008 nan 4.420 nan 0.000 0.267 427 P C 0.302 177.364 177.300 -0.396 0.000 1.200 427 P CA 0.038 62.765 63.100 -0.623 0.000 0.772 427 P CB 0.343 31.909 31.700 -0.223 0.000 0.855 428 F N 0.858 120.677 119.950 -0.218 0.000 2.171 428 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 428 F C 1.769 177.524 175.800 -0.075 0.000 1.090 428 F CA 1.586 59.509 58.000 -0.129 0.000 1.293 428 F CB -0.962 37.980 39.000 -0.096 0.000 1.013 428 F HN 0.412 nan 8.300 nan 0.000 0.486 429 E N -0.352 119.932 120.200 0.139 0.000 2.437 429 E HA -0.022 4.327 4.350 -0.000 0.000 0.189 429 E C -0.158 176.464 176.600 0.036 0.000 1.054 429 E CA -0.215 56.236 56.400 0.084 0.000 0.874 429 E CB -0.249 29.502 29.700 0.085 0.000 1.011 429 E HN 0.182 nan 8.360 nan 0.000 0.474 430 D N 2.497 122.896 120.400 -0.001 0.000 2.487 430 D HA 0.013 4.652 4.640 -0.000 0.000 0.243 430 D C -2.287 174.032 176.300 0.031 0.000 1.154 430 D CA -1.419 52.569 54.000 -0.020 0.000 0.876 430 D CB 0.763 41.512 40.800 -0.085 0.000 1.161 430 D HN -0.117 nan 8.370 nan 0.000 0.478 431 P HA 0.082 nan 4.420 nan 0.000 0.272 431 P C -0.380 177.035 177.300 0.191 0.000 1.240 431 P CA -0.427 62.772 63.100 0.166 0.000 0.791 431 P CB 0.366 32.181 31.700 0.192 0.000 0.978 432 E N 1.513 121.836 120.200 0.206 0.000 2.392 432 E HA 0.190 4.539 4.350 -0.000 0.000 0.256 432 E C -2.488 174.142 176.600 0.050 0.000 1.145 432 E CA -1.884 54.565 56.400 0.081 0.000 0.929 432 E CB -0.944 28.762 29.700 0.009 0.000 0.998 432 E HN 0.209 nan 8.360 nan 0.000 0.442 433 P HA 0.089 nan 4.420 nan 0.000 0.272 433 P C -0.579 176.714 177.300 -0.012 0.000 1.223 433 P CA -0.017 63.147 63.100 0.107 0.000 0.784 433 P CB 0.405 32.125 31.700 0.033 0.000 0.923 434 Q N 1.013 120.899 119.800 0.143 0.000 3.484 434 Q HA 0.322 4.662 4.340 -0.000 0.000 0.255 434 Q C -1.132 174.955 176.000 0.145 0.000 0.909 434 Q CA -0.294 55.478 55.803 -0.051 0.000 0.774 434 Q CB 1.215 29.681 28.738 -0.454 0.000 1.431 434 Q HN 0.178 nan 8.270 nan 0.000 0.423 435 V N 0.552 120.512 119.914 0.077 0.000 2.667 435 V HA 0.751 4.871 4.120 -0.000 0.000 0.308 435 V C 0.102 176.216 176.094 0.033 0.000 1.048 435 V CA -0.486 61.865 62.300 0.085 0.000 0.928 435 V CB 2.120 33.943 31.823 0.000 0.000 1.004 435 V HN 0.466 nan 8.190 nan 0.000 0.444 436 T N 1.543 116.150 114.554 0.088 0.000 2.923 436 T HA 0.479 4.829 4.350 -0.000 0.000 0.311 436 T C -0.967 173.680 174.700 -0.087 0.000 1.183 436 T CA -0.307 61.786 62.100 -0.012 0.000 1.020 436 T CB 1.869 70.711 68.868 -0.043 0.000 1.165 436 T HN 0.828 nan 8.240 nan 0.000 0.482 437 T N 4.678 119.028 114.554 -0.341 0.000 2.772 437 T HA 0.594 4.943 4.350 -0.000 0.000 0.288 437 T C -0.062 174.487 174.700 -0.251 0.000 0.994 437 T CA -0.587 61.140 62.100 -0.621 0.000 0.951 437 T CB -0.209 67.843 68.868 -1.360 0.000 0.933 437 T HN 0.518 nan 8.240 nan 0.000 0.447 438 L N 4.616 125.772 121.223 -0.113 0.000 2.461 438 L HA 0.358 4.698 4.340 -0.000 0.000 0.272 438 L C 0.758 177.637 176.870 0.015 0.000 1.197 438 L CA -0.851 54.007 54.840 0.029 0.000 0.836 438 L CB 0.160 42.234 42.059 0.024 0.000 1.105 438 L HN 0.621 nan 8.230 nan 0.000 0.477 439 F N 3.212 123.090 119.950 -0.119 0.000 2.568 439 F HA -0.107 4.419 4.527 -0.000 0.000 0.394 439 F C 0.285 175.834 175.800 -0.419 0.000 1.032 439 F CA 0.663 58.501 58.000 -0.269 0.000 1.242 439 F CB 0.087 38.980 39.000 -0.177 0.000 0.966 439 F HN 0.406 nan 8.300 nan 0.000 0.560 440 Q N 6.565 125.887 119.800 -0.798 0.000 2.456 440 Q HA 0.256 4.596 4.340 -0.000 0.000 0.284 440 Q C -2.015 173.547 176.000 -0.731 0.000 1.061 440 Q CA -1.767 53.646 55.803 -0.649 0.000 0.799 440 Q CB 1.411 29.643 28.738 -0.843 0.000 1.445 440 Q HN 0.234 nan 8.270 nan 0.000 0.411 441 P HA -0.198 nan 4.420 nan 0.000 0.217 441 P C 1.114 178.191 177.300 -0.370 0.000 1.151 441 P CA 2.016 64.943 63.100 -0.289 0.000 0.849 441 P CB 0.259 31.878 31.700 -0.135 0.000 0.787 442 S N -1.903 113.573 115.700 -0.373 0.000 2.527 442 S HA -0.074 4.396 4.470 -0.000 0.000 0.222 442 S C 0.486 174.885 174.600 -0.336 0.000 0.985 442 S CA 0.085 58.141 58.200 -0.240 0.000 0.921 442 S CB -1.185 61.980 63.200 -0.059 0.000 0.772 442 S HN 0.429 nan 8.310 nan 0.000 0.529 443 H N -1.272 117.345 119.070 -0.755 0.000 2.562 443 H HA 0.454 5.010 4.556 -0.000 0.000 0.230 443 H C -3.244 170.909 175.328 -1.959 0.000 1.415 443 H CA -1.747 53.442 56.048 -1.431 0.000 1.454 443 H CB 0.398 29.614 29.762 -0.911 0.000 1.716 443 H HN 0.056 nan 8.280 nan 0.000 0.538 444 P HA 0.080 nan 4.420 nan 0.000 0.220 444 P C -1.234 175.453 177.300 -1.022 0.000 1.806 444 P CA 0.181 62.139 63.100 -1.905 0.000 0.976 444 P CB -1.044 30.102 31.700 -0.923 0.000 1.952 445 W N -0.270 120.691 121.300 -0.566 0.000 3.167 445 W HA 0.531 5.191 4.660 -0.000 0.000 0.324 445 W C -0.742 175.845 176.519 0.113 0.000 1.230 445 W CA -1.319 56.019 57.345 -0.011 0.000 1.184 445 W CB 0.067 29.551 29.460 0.040 0.000 1.414 445 W HN -0.008 nan 8.180 nan 0.000 0.551 446 H N 1.132 120.457 119.070 0.425 0.000 2.551 446 H HA 0.659 5.215 4.556 -0.000 0.000 0.358 446 H C -0.153 175.312 175.328 0.229 0.000 1.151 446 H CA 0.536 56.730 56.048 0.244 0.000 1.374 446 H CB 1.406 31.244 29.762 0.126 0.000 1.473 446 H HN 0.570 nan 8.280 nan 0.000 0.574 447 T N 2.035 116.226 114.554 -0.604 0.000 2.886 447 T HA 0.498 4.848 4.350 -0.000 0.000 0.292 447 T C -0.820 173.584 174.700 -0.493 0.000 1.012 447 T CA -1.107 60.679 62.100 -0.524 0.000 0.982 447 T CB 1.528 69.989 68.868 -0.677 0.000 1.018 447 T HN 0.666 nan 8.240 nan 0.000 0.451 448 Q N 2.096 121.810 119.800 -0.144 0.000 2.304 448 Q HA 0.595 4.935 4.340 -0.000 0.000 0.270 448 Q C -1.138 174.776 176.000 -0.144 0.000 1.035 448 Q CA -0.666 54.969 55.803 -0.279 0.000 0.781 448 Q CB 2.659 31.078 28.738 -0.531 0.000 1.261 448 Q HN 0.723 nan 8.270 nan 0.000 0.444 449 I N 3.655 124.103 120.570 -0.204 0.000 2.495 449 I HA 0.377 4.546 4.170 -0.000 0.000 0.277 449 I C -0.441 175.572 176.117 -0.173 0.000 1.045 449 I CA -0.289 60.775 61.300 -0.393 0.000 1.135 449 I CB 0.426 38.069 38.000 -0.596 0.000 1.241 449 I HN 0.776 nan 8.210 nan 0.000 0.469 450 H N 3.901 122.779 119.070 -0.319 0.000 3.001 450 H HA 0.651 5.207 4.556 -0.000 0.000 0.266 450 H C -1.273 173.971 175.328 -0.139 0.000 1.532 450 H CA -1.331 54.600 56.048 -0.194 0.000 1.187 450 H CB 1.380 31.051 29.762 -0.152 0.000 1.881 450 H HN 0.121 nan 8.280 nan 0.000 0.643 451 R N 1.317 121.610 120.500 -0.345 0.000 2.575 451 R HA 0.282 4.622 4.340 -0.000 0.000 0.293 451 R C -1.508 174.541 176.300 -0.419 0.000 0.983 451 R CA -0.611 55.276 56.100 -0.356 0.000 0.887 451 R CB 1.819 32.049 30.300 -0.117 0.000 1.184 451 R HN 0.888 nan 8.270 nan 0.000 0.445 452 D N 0.669 120.839 120.400 -0.383 0.000 2.687 452 D HA 0.477 5.117 4.640 -0.000 0.000 0.264 452 D C -0.339 175.951 176.300 -0.016 0.000 1.091 452 D CA -0.877 53.016 54.000 -0.179 0.000 1.123 452 D CB 0.347 41.052 40.800 -0.158 0.000 1.407 452 D HN 0.391 nan 8.370 nan 0.000 0.591 453 A N -0.561 122.278 122.820 0.033 0.000 2.565 453 A HA 0.378 4.697 4.320 -0.000 0.000 0.237 453 A C -0.771 176.893 177.584 0.133 0.000 1.053 453 A CA 0.243 52.346 52.037 0.110 0.000 0.755 453 A CB -0.673 18.419 19.000 0.155 0.000 0.980 453 A HN 0.476 nan 8.150 nan 0.000 0.506 454 F N 1.501 121.391 119.950 -0.099 0.000 2.608 454 F HA 0.465 4.992 4.527 -0.000 0.000 0.309 454 F C 0.228 175.845 175.800 -0.305 0.000 1.103 454 F CA -0.262 57.561 58.000 -0.295 0.000 0.954 454 F CB 1.944 40.620 39.000 -0.540 0.000 1.267 454 F HN 0.577 nan 8.300 nan 0.000 0.444 455 S N 4.168 119.328 115.700 -0.901 0.000 2.485 455 S HA 0.378 4.848 4.470 -0.000 0.000 0.312 455 S C -1.062 173.172 174.600 -0.611 0.000 1.102 455 S CA -0.389 57.469 58.200 -0.569 0.000 1.066 455 S CB -0.610 62.317 63.200 -0.456 0.000 1.102 455 S HN 0.457 nan 8.310 nan 0.000 0.519 456 Y N 2.358 122.645 120.300 -0.021 0.000 2.335 456 Y HA 0.477 5.027 4.550 -0.000 0.000 0.331 456 Y C 1.511 177.444 175.900 0.054 0.000 1.094 456 Y CA 0.134 58.325 58.100 0.151 0.000 1.253 456 Y CB 0.435 39.028 38.460 0.222 0.000 1.203 456 Y HN 0.848 nan 8.280 nan 0.000 0.508 457 G N 1.176 110.103 108.800 0.210 0.000 2.664 457 G HA2 0.248 4.207 3.960 -0.000 0.000 0.242 457 G HA3 0.248 4.207 3.960 -0.000 0.000 0.242 457 G C 0.917 175.899 174.900 0.137 0.000 1.225 457 G CA -0.040 45.139 45.100 0.131 0.000 0.849 457 G HN 0.912 nan 8.290 nan 0.000 0.581 458 A N 0.322 123.193 122.820 0.085 0.000 1.978 458 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 458 A C 2.480 180.103 177.584 0.065 0.000 1.170 458 A CA 2.006 54.083 52.037 0.067 0.000 0.636 458 A CB -0.408 18.619 19.000 0.044 0.000 0.810 458 A HN 0.553 nan 8.150 nan 0.000 0.448 459 V N -0.292 119.665 119.914 0.071 0.000 2.407 459 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 459 V C 2.544 178.683 176.094 0.075 0.000 1.041 459 V CA 1.917 64.255 62.300 0.063 0.000 1.040 459 V CB -0.928 30.930 31.823 0.059 0.000 0.671 459 V HN 0.623 nan 8.190 nan 0.000 0.455 460 Q N -0.108 119.765 119.800 0.122 0.000 2.135 460 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 460 Q C 2.206 178.238 176.000 0.054 0.000 0.981 460 Q CA 1.625 57.516 55.803 0.148 0.000 0.856 460 Q CB -0.264 28.680 28.738 0.342 0.000 0.902 460 Q HN 0.672 nan 8.270 nan 0.000 0.425 461 Q N -0.168 119.672 119.800 0.066 0.000 2.508 461 Q HA -0.078 4.261 4.340 -0.000 0.000 0.214 461 Q C 1.870 177.860 176.000 -0.017 0.000 0.979 461 Q CA 0.543 56.345 55.803 -0.001 0.000 0.911 461 Q CB -0.003 28.761 28.738 0.044 0.000 0.969 461 Q HN 0.158 nan 8.270 nan 0.000 0.504 462 S N -0.094 115.607 115.700 0.003 0.000 2.453 462 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 462 S C 0.751 175.343 174.600 -0.014 0.000 1.005 462 S CA 0.122 58.322 58.200 -0.000 0.000 0.949 462 S CB 0.267 63.475 63.200 0.014 0.000 0.774 462 S HN 0.154 nan 8.310 nan 0.000 0.510 463 I N 3.024 123.574 120.570 -0.033 0.000 2.325 463 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 463 I C 0.362 176.434 176.117 -0.075 0.000 1.019 463 I CA -0.801 60.472 61.300 -0.044 0.000 1.302 463 I CB 0.640 38.616 38.000 -0.039 0.000 1.401 463 I HN 0.167 nan 8.210 nan 0.000 0.485 464 D N 4.225 124.599 120.400 -0.042 0.000 2.531 464 D HA -0.121 4.519 4.640 -0.000 0.000 0.239 464 D C 1.247 177.508 176.300 -0.066 0.000 1.144 464 D CA 0.432 54.411 54.000 -0.036 0.000 0.869 464 D CB 1.031 41.834 40.800 0.005 0.000 1.160 464 D HN 0.626 nan 8.370 nan 0.000 0.484 465 S N 4.240 119.888 115.700 -0.086 0.000 2.387 465 S HA -0.221 4.248 4.470 -0.000 0.000 0.230 465 S C 1.763 176.333 174.600 -0.050 0.000 1.035 465 S CA 1.215 59.351 58.200 -0.108 0.000 1.014 465 S CB 0.055 63.205 63.200 -0.083 0.000 0.836 465 S HN 0.557 nan 8.310 nan 0.000 0.466 466 R N 0.163 120.650 120.500 -0.022 0.000 2.249 466 R HA 0.042 4.382 4.340 -0.000 0.000 0.230 466 R C 1.922 178.207 176.300 -0.024 0.000 1.121 466 R CA 1.203 57.289 56.100 -0.022 0.000 0.997 466 R CB -0.327 29.953 30.300 -0.033 0.000 0.867 466 R HN 0.454 nan 8.270 nan 0.000 0.465 467 L N 0.209 121.419 121.223 -0.022 0.000 2.446 467 L HA 0.136 4.475 4.340 -0.000 0.000 0.219 467 L C 0.683 177.556 176.870 0.006 0.000 1.116 467 L CA 0.121 54.955 54.840 -0.009 0.000 0.844 467 L CB 0.122 42.175 42.059 -0.010 0.000 0.970 467 L HN 0.058 nan 8.230 nan 0.000 0.457 468 I N 0.141 120.708 120.570 -0.004 0.000 2.396 468 I HA 0.240 4.410 4.170 -0.000 0.000 0.292 468 I C -0.574 175.559 176.117 0.028 0.000 0.999 468 I CA -0.372 60.939 61.300 0.018 0.000 1.310 468 I CB 1.778 39.775 38.000 -0.005 0.000 1.404 468 I HN -0.297 nan 8.210 nan 0.000 0.496 469 V N 4.710 124.661 119.914 0.062 0.000 2.709 469 V HA 0.311 4.431 4.120 -0.000 0.000 0.308 469 V C -0.872 175.219 176.094 -0.005 0.000 1.062 469 V CA -0.899 61.398 62.300 -0.006 0.000 0.901 469 V CB 2.121 33.936 31.823 -0.014 0.000 1.003 469 V HN 0.580 nan 8.190 nan 0.000 0.425 470 D N 2.701 123.023 120.400 -0.130 0.000 2.256 470 D HA 0.422 5.061 4.640 -0.000 0.000 0.250 470 D C -0.968 175.237 176.300 -0.159 0.000 1.093 470 D CA 0.117 54.076 54.000 -0.069 0.000 0.882 470 D CB 1.169 41.938 40.800 -0.050 0.000 1.185 470 D HN 0.436 nan 8.370 nan 0.000 0.437 471 W N 1.511 122.790 121.300 -0.035 0.000 2.538 471 W HA 0.459 5.118 4.660 -0.000 0.000 0.322 471 W C 0.282 176.843 176.519 0.071 0.000 1.028 471 W CA -0.879 56.485 57.345 0.032 0.000 1.228 471 W CB 1.207 30.575 29.460 -0.153 0.000 1.356 471 W HN -0.073 nan 8.180 nan 0.000 0.452 472 R N 2.962 123.694 120.500 0.386 0.000 2.483 472 R HA 0.490 4.830 4.340 -0.000 0.000 0.303 472 R C -1.581 174.909 176.300 0.317 0.000 0.987 472 R CA -0.829 55.389 56.100 0.196 0.000 0.881 472 R CB 1.534 31.918 30.300 0.140 0.000 1.177 472 R HN 0.179 nan 8.270 nan 0.000 0.451 473 F N 3.130 122.951 119.950 -0.214 0.000 2.458 473 F HA 0.498 5.025 4.527 -0.000 0.000 0.336 473 F C -0.332 175.361 175.800 -0.178 0.000 1.114 473 F CA -1.532 56.428 58.000 -0.067 0.000 0.987 473 F CB 1.082 39.999 39.000 -0.139 0.000 1.130 473 F HN 0.294 nan 8.300 nan 0.000 0.458 474 F N 1.361 121.478 119.950 0.279 0.000 2.449 474 F HA 0.655 5.181 4.527 -0.000 0.000 0.342 474 F C 0.676 176.661 175.800 0.310 0.000 1.127 474 F CA -1.135 57.023 58.000 0.265 0.000 0.975 474 F CB 1.433 40.617 39.000 0.306 0.000 1.146 474 F HN 0.519 nan 8.300 nan 0.000 0.444 475 G N 2.161 111.190 108.800 0.382 0.000 2.451 475 G HA2 0.611 4.571 3.960 -0.000 0.000 0.303 475 G HA3 0.611 4.571 3.960 -0.000 0.000 0.303 475 G C -0.835 174.242 174.900 0.296 0.000 1.166 475 G CA -1.052 44.257 45.100 0.349 0.000 0.884 475 G HN 0.721 nan 8.290 nan 0.000 0.514 476 R N -0.647 120.030 120.500 0.294 0.000 2.428 476 R HA 0.642 4.982 4.340 -0.000 0.000 0.294 476 R C -1.012 175.378 176.300 0.150 0.000 1.000 476 R CA -0.536 55.659 56.100 0.158 0.000 0.960 476 R CB 1.263 31.676 30.300 0.189 0.000 1.076 476 R HN 0.256 nan 8.270 nan 0.000 0.475 477 T N 2.262 116.869 114.554 0.089 0.000 2.786 477 T HA 0.106 4.456 4.350 -0.000 0.000 0.283 477 T C -0.700 174.071 174.700 0.118 0.000 0.992 477 T CA -0.626 61.576 62.100 0.170 0.000 0.954 477 T CB 1.255 70.294 68.868 0.286 0.000 0.934 477 T HN 0.698 nan 8.240 nan 0.000 0.440 478 E N 4.675 124.952 120.200 0.127 0.000 2.480 478 E HA 0.069 4.419 4.350 -0.000 0.000 0.258 478 E C -2.197 174.477 176.600 0.124 0.000 0.984 478 E CA -1.339 55.128 56.400 0.111 0.000 0.930 478 E CB 0.436 30.195 29.700 0.098 0.000 0.936 478 E HN 0.176 nan 8.360 nan 0.000 0.466 479 P HA 0.102 nan 4.420 nan 0.000 0.271 479 P C -1.250 176.201 177.300 0.252 0.000 1.226 479 P CA 0.146 63.379 63.100 0.222 0.000 0.765 479 P CB 0.641 32.491 31.700 0.249 0.000 0.835 480 K N 2.609 123.109 120.400 0.167 0.000 2.443 480 K HA 0.150 4.469 4.320 -0.000 0.000 0.252 480 K C 0.869 177.306 176.600 -0.271 0.000 0.933 480 K CA -0.627 55.672 56.287 0.018 0.000 0.792 480 K CB 2.394 34.865 32.500 -0.049 0.000 1.185 480 K HN 0.451 nan 8.250 nan 0.000 0.425 481 E N 2.255 122.127 120.200 -0.547 0.000 2.118 481 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 481 E C 1.023 177.358 176.600 -0.443 0.000 0.992 481 E CA 1.600 57.408 56.400 -0.987 0.000 0.804 481 E CB 0.478 29.817 29.700 -0.602 0.000 0.741 481 E HN 0.550 nan 8.360 nan 0.000 0.458 482 E N 0.355 120.407 120.200 -0.247 0.000 2.347 482 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 482 E C 0.016 176.550 176.600 -0.110 0.000 1.008 482 E CA 0.240 56.551 56.400 -0.149 0.000 0.852 482 E CB -0.279 29.352 29.700 -0.116 0.000 0.783 482 E HN 0.073 nan 8.360 nan 0.000 0.505 483 N N 2.108 120.730 118.700 -0.130 0.000 2.411 483 N HA 0.157 4.897 4.740 -0.000 0.000 0.259 483 N C -0.735 174.824 175.510 0.081 0.000 1.103 483 N CA 0.223 53.244 53.050 -0.047 0.000 0.954 483 N CB 0.982 39.400 38.487 -0.116 0.000 1.085 483 N HN 0.124 nan 8.380 nan 0.000 0.485 484 K N 1.294 121.799 120.400 0.175 0.000 2.469 484 K HA 0.451 4.771 4.320 -0.000 0.000 0.254 484 K C -1.139 175.619 176.600 0.263 0.000 0.939 484 K CA -0.913 55.501 56.287 0.211 0.000 0.812 484 K CB 2.433 35.062 32.500 0.215 0.000 1.301 484 K HN 0.180 nan 8.250 nan 0.000 0.433 485 L N 4.057 125.387 121.223 0.179 0.000 2.305 485 L HA 0.578 4.918 4.340 -0.000 0.000 0.284 485 L C -1.311 175.519 176.870 -0.066 0.000 1.013 485 L CA -0.076 54.720 54.840 -0.073 0.000 0.819 485 L CB 0.562 42.583 42.059 -0.064 0.000 1.227 485 L HN 0.703 nan 8.230 nan 0.000 0.417 486 W N 3.748 124.771 121.300 -0.462 0.000 2.992 486 W HA 0.656 5.316 4.660 -0.000 0.000 0.342 486 W C -2.226 173.837 176.519 -0.759 0.000 1.176 486 W CA -1.238 55.893 57.345 -0.357 0.000 1.118 486 W CB 0.927 30.322 29.460 -0.109 0.000 1.457 486 W HN 0.345 nan 8.180 nan 0.000 0.573 487 F N 1.453 121.579 119.950 0.293 0.000 2.547 487 F HA 0.340 4.867 4.527 -0.000 0.000 0.316 487 F C 0.730 176.679 175.800 0.248 0.000 1.121 487 F CA -0.979 57.077 58.000 0.093 0.000 0.911 487 F CB 2.137 41.180 39.000 0.071 0.000 1.179 487 F HN 0.267 nan 8.300 nan 0.000 0.443 488 S N 1.150 116.979 115.700 0.216 0.000 2.549 488 S HA 0.041 4.510 4.470 -0.000 0.000 0.283 488 S C 0.821 175.561 174.600 0.234 0.000 1.320 488 S CA -0.530 57.827 58.200 0.261 0.000 1.058 488 S CB 0.343 63.606 63.200 0.106 0.000 0.882 488 S HN 0.697 nan 8.310 nan 0.000 0.498 489 D N 3.197 123.726 120.400 0.216 0.000 2.349 489 D HA 0.067 4.706 4.640 -0.000 0.000 0.224 489 D C 0.993 177.354 176.300 0.101 0.000 1.029 489 D CA 0.619 54.702 54.000 0.138 0.000 0.879 489 D CB 0.163 41.029 40.800 0.109 0.000 0.906 489 D HN 0.507 nan 8.370 nan 0.000 0.528 490 K N -0.428 120.034 120.400 0.105 0.000 2.485 490 K HA 0.128 4.448 4.320 -0.000 0.000 0.200 490 K C 0.087 176.727 176.600 0.068 0.000 1.352 490 K CA -0.235 56.098 56.287 0.077 0.000 0.953 490 K CB 0.950 33.495 32.500 0.075 0.000 1.387 490 K HN -0.043 nan 8.250 nan 0.000 0.512 491 I N 3.478 124.090 120.570 0.071 0.000 2.474 491 I HA 0.092 4.261 4.170 -0.000 0.000 0.287 491 I C 0.591 176.742 176.117 0.057 0.000 1.048 491 I CA 0.147 61.478 61.300 0.052 0.000 1.383 491 I CB 0.936 38.954 38.000 0.030 0.000 1.412 491 I HN 0.220 nan 8.210 nan 0.000 0.531 492 T N 1.252 115.836 114.554 0.051 0.000 2.924 492 T HA 0.568 4.917 4.350 -0.000 0.000 0.291 492 T C -0.305 174.431 174.700 0.059 0.000 1.045 492 T CA -0.924 61.214 62.100 0.063 0.000 1.015 492 T CB 2.353 71.255 68.868 0.058 0.000 1.103 492 T HN 0.552 nan 8.240 nan 0.000 0.496 493 D N 0.854 121.307 120.400 0.087 0.000 2.425 493 D HA 0.445 5.085 4.640 -0.000 0.000 0.274 493 D C 1.610 177.949 176.300 0.066 0.000 1.242 493 D CA -0.361 53.696 54.000 0.096 0.000 1.060 493 D CB -0.107 40.789 40.800 0.159 0.000 1.112 493 D HN 0.653 nan 8.370 nan 0.000 0.561 494 A N -1.477 121.373 122.820 0.049 0.000 2.121 494 A HA -0.083 4.236 4.320 -0.000 0.000 0.218 494 A C 1.267 178.672 177.584 -0.299 0.000 1.154 494 A CA 0.782 52.746 52.037 -0.121 0.000 0.679 494 A CB -0.923 17.972 19.000 -0.176 0.000 0.795 494 A HN 0.547 nan 8.150 nan 0.000 0.458 495 Y N -0.732 119.585 120.300 0.029 0.000 2.571 495 Y HA 0.194 4.744 4.550 -0.000 0.000 0.275 495 Y C 0.621 176.549 175.900 0.047 0.000 1.179 495 Y CA -0.325 57.796 58.100 0.034 0.000 1.242 495 Y CB 0.030 38.492 38.460 0.003 0.000 1.126 495 Y HN 0.345 nan 8.280 nan 0.000 0.524 496 N N -0.344 118.424 118.700 0.114 0.000 2.741 496 N HA -0.171 4.568 4.740 -0.000 0.000 0.250 496 N C -0.627 174.938 175.510 0.091 0.000 1.115 496 N CA 0.821 53.920 53.050 0.083 0.000 0.724 496 N CB -0.886 37.639 38.487 0.063 0.000 1.090 496 N HN 0.238 nan 8.380 nan 0.000 0.558 497 M N -0.327 119.343 119.600 0.117 0.000 2.528 497 M HA 0.399 4.879 4.480 -0.000 0.000 0.318 497 M C -1.970 174.393 176.300 0.107 0.000 1.195 497 M CA -1.999 53.356 55.300 0.092 0.000 1.000 497 M CB 0.339 32.991 32.600 0.087 0.000 1.615 497 M HN -0.280 nan 8.290 nan 0.000 0.469 498 P HA -0.023 nan 4.420 nan 0.000 0.261 498 P C -0.612 176.840 177.300 0.254 0.000 1.183 498 P CA 0.124 63.320 63.100 0.159 0.000 0.761 498 P CB 0.212 32.005 31.700 0.155 0.000 0.785 499 Q N 6.952 126.848 119.800 0.161 0.000 2.286 499 Q HA 0.169 4.509 4.340 -0.000 0.000 0.267 499 Q C -2.280 173.682 176.000 -0.063 0.000 1.028 499 Q CA -1.930 53.914 55.803 0.069 0.000 0.901 499 Q CB -0.229 28.501 28.738 -0.013 0.000 1.183 499 Q HN 0.281 nan 8.270 nan 0.000 0.392 500 P HA 0.120 nan 4.420 nan 0.000 0.271 500 P C -1.093 175.710 177.300 -0.827 0.000 1.216 500 P CA -0.090 62.595 63.100 -0.692 0.000 0.771 500 P CB 1.032 32.430 31.700 -0.503 0.000 0.864 501 T N 2.924 116.760 114.554 -1.197 0.000 2.952 501 T HA 0.523 4.872 4.350 -0.000 0.000 0.305 501 T C -0.747 173.273 174.700 -1.134 0.000 1.064 501 T CA -0.127 61.276 62.100 -1.163 0.000 1.008 501 T CB 0.532 68.417 68.868 -1.639 0.000 1.078 501 T HN 0.029 nan 8.240 nan 0.000 0.459 502 F N 1.900 121.581 119.950 -0.447 0.000 2.450 502 F HA 0.540 5.066 4.527 -0.000 0.000 0.332 502 F C 0.515 176.279 175.800 -0.061 0.000 1.093 502 F CA -1.033 56.838 58.000 -0.215 0.000 1.003 502 F CB 1.282 40.202 39.000 -0.134 0.000 1.151 502 F HN 0.401 nan 8.300 nan 0.000 0.474 503 D N 3.440 124.019 120.400 0.299 0.000 2.408 503 D HA 0.234 4.874 4.640 -0.000 0.000 0.261 503 D C -1.759 174.671 176.300 0.218 0.000 1.190 503 D CA -0.095 54.060 54.000 0.257 0.000 0.910 503 D CB 0.276 41.254 40.800 0.297 0.000 1.097 503 D HN 0.287 nan 8.370 nan 0.000 0.522 504 F N 3.283 123.231 119.950 -0.002 0.000 2.569 504 F HA 0.593 5.119 4.527 -0.000 0.000 0.312 504 F C -1.122 174.577 175.800 -0.168 0.000 1.109 504 F CA -0.606 57.324 58.000 -0.117 0.000 0.919 504 F CB 1.369 40.234 39.000 -0.226 0.000 1.211 504 F HN 0.021 nan 8.300 nan 0.000 0.446 505 R N 4.409 124.397 120.500 -0.854 0.000 2.698 505 R HA 0.346 4.686 4.340 -0.000 0.000 0.275 505 R C -1.643 174.045 176.300 -1.020 0.000 1.001 505 R CA -0.949 54.766 56.100 -0.641 0.000 0.896 505 R CB 1.723 31.857 30.300 -0.277 0.000 1.218 505 R HN 0.579 nan 8.270 nan 0.000 0.462 506 F N 2.881 122.639 119.950 -0.320 0.000 2.578 506 F HA 0.169 4.696 4.527 -0.000 0.000 0.381 506 F C -1.291 174.397 175.800 -0.188 0.000 1.069 506 F CA -1.063 56.826 58.000 -0.185 0.000 1.231 506 F CB -0.128 38.877 39.000 0.007 0.000 1.086 506 F HN 0.131 nan 8.300 nan 0.000 0.564 507 P HA 0.137 nan 4.420 nan 0.000 0.268 507 P C -0.573 176.743 177.300 0.027 0.000 1.205 507 P CA -0.261 62.822 63.100 -0.027 0.000 0.771 507 P CB 0.542 32.238 31.700 -0.007 0.000 0.858 508 A N 2.559 125.380 122.820 0.002 0.000 2.429 508 A HA 0.522 4.842 4.320 -0.000 0.000 0.242 508 A C 1.110 178.709 177.584 0.025 0.000 1.088 508 A CA 0.924 52.968 52.037 0.011 0.000 0.784 508 A CB -1.040 17.958 19.000 -0.003 0.000 1.038 508 A HN 0.847 nan 8.150 nan 0.000 0.501 509 G N 0.097 108.914 108.800 0.027 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 0.974 175.904 174.900 0.050 0.000 1.210 509 G CA 0.715 45.837 45.100 0.036 0.000 0.936 509 G HN 1.040 nan 8.290 nan 0.000 0.583 510 R N -0.229 120.308 120.500 0.061 0.000 2.096 510 R HA -0.111 4.229 4.340 -0.000 0.000 0.240 510 R C 2.787 179.144 176.300 0.096 0.000 1.139 510 R CA 2.904 59.050 56.100 0.078 0.000 0.952 510 R CB -0.908 29.441 30.300 0.081 0.000 0.854 510 R HN 0.627 nan 8.270 nan 0.000 0.436 511 T N -0.056 114.558 114.554 0.101 0.000 2.708 511 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 511 T C 1.936 176.692 174.700 0.093 0.000 1.037 511 T CA 1.742 63.918 62.100 0.126 0.000 1.146 511 T CB -0.162 68.802 68.868 0.161 0.000 0.865 511 T HN 0.278 nan 8.240 nan 0.000 0.435 512 S N 0.689 116.428 115.700 0.064 0.000 2.371 512 S HA -0.031 4.439 4.470 -0.000 0.000 0.224 512 S C 2.016 176.624 174.600 0.013 0.000 1.029 512 S CA 0.951 59.158 58.200 0.011 0.000 0.978 512 S CB -0.176 63.026 63.200 0.003 0.000 0.833 512 S HN 0.503 nan 8.310 nan 0.000 0.466 513 K N 1.389 121.815 120.400 0.043 0.000 2.026 513 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 513 K C 1.921 178.576 176.600 0.091 0.000 1.048 513 K CA 1.393 57.714 56.287 0.056 0.000 0.929 513 K CB -0.116 32.421 32.500 0.062 0.000 0.713 513 K HN 0.338 nan 8.250 nan 0.000 0.439 514 E N -0.035 120.245 120.200 0.134 0.000 2.110 514 E HA -0.186 4.163 4.350 -0.000 0.000 0.193 514 E C 1.954 178.641 176.600 0.144 0.000 0.988 514 E CA 0.974 57.510 56.400 0.226 0.000 0.804 514 E CB -0.102 29.766 29.700 0.280 0.000 0.745 514 E HN 0.458 nan 8.360 nan 0.000 0.458 515 A N 1.334 124.209 122.820 0.092 0.000 1.902 515 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 515 A C 2.082 179.734 177.584 0.113 0.000 1.181 515 A CA 1.795 53.883 52.037 0.085 0.000 0.623 515 A CB -0.366 18.644 19.000 0.016 0.000 0.818 515 A HN 0.136 nan 8.150 nan 0.000 0.443 516 E N 0.517 120.765 120.200 0.079 0.000 2.072 516 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 516 E C 1.360 177.945 176.600 -0.026 0.000 0.982 516 E CA 1.476 57.924 56.400 0.080 0.000 0.803 516 E CB -0.330 29.390 29.700 0.033 0.000 0.755 516 E HN 0.511 nan 8.360 nan 0.000 0.453 517 D N 0.024 120.405 120.400 -0.031 0.000 2.133 517 D HA -0.211 4.429 4.640 -0.000 0.000 0.195 517 D C 1.932 177.974 176.300 -0.431 0.000 0.997 517 D CA 1.359 55.320 54.000 -0.065 0.000 0.840 517 D CB -0.359 40.539 40.800 0.163 0.000 0.947 517 D HN 0.322 nan 8.370 nan 0.000 0.452 518 M N -0.339 118.780 119.600 -0.801 0.000 2.086 518 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 518 M C 2.070 177.951 176.300 -0.697 0.000 1.067 518 M CA 1.250 55.749 55.300 -1.335 0.000 1.116 518 M CB -0.012 32.030 32.600 -0.930 0.000 1.348 518 M HN -0.025 nan 8.290 nan 0.000 0.407 519 M N 0.430 119.751 119.600 -0.464 0.000 2.073 519 M HA -0.178 4.302 4.480 -0.000 0.000 0.258 519 M C 1.821 177.916 176.300 -0.343 0.000 1.070 519 M CA 2.511 57.543 55.300 -0.446 0.000 1.103 519 M CB -1.067 31.351 32.600 -0.304 0.000 1.321 519 M HN 0.284 nan 8.290 nan 0.000 0.405 520 T N -0.025 114.396 114.554 -0.223 0.000 2.720 520 T HA -0.175 4.174 4.350 -0.000 0.000 0.268 520 T C 1.511 176.140 174.700 -0.117 0.000 1.037 520 T CA 1.831 63.852 62.100 -0.132 0.000 1.144 520 T CB -0.634 68.199 68.868 -0.058 0.000 0.864 520 T HN 0.541 nan 8.240 nan 0.000 0.444 521 D N 0.502 120.826 120.400 -0.127 0.000 2.117 521 D HA -0.068 4.572 4.640 -0.000 0.000 0.197 521 D C 2.057 178.348 176.300 -0.016 0.000 0.987 521 D CA 0.869 54.904 54.000 0.058 0.000 0.829 521 D CB -0.219 40.737 40.800 0.260 0.000 0.961 521 D HN 0.300 nan 8.370 nan 0.000 0.460 522 M N -0.533 118.823 119.600 -0.407 0.000 2.132 522 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 522 M C 1.935 177.949 176.300 -0.477 0.000 1.065 522 M CA 1.242 56.035 55.300 -0.845 0.000 1.122 522 M CB -0.161 31.646 32.600 -1.322 0.000 1.365 522 M HN 0.186 nan 8.290 nan 0.000 0.411 523 C N -0.184 118.935 119.300 -0.301 0.000 2.413 523 C HA -0.125 4.334 4.460 -0.000 0.000 0.276 523 C C 2.681 177.580 174.990 -0.151 0.000 1.236 523 C CA 0.983 59.934 59.018 -0.112 0.000 1.735 523 C CB -1.012 26.709 27.740 -0.032 0.000 2.031 523 C HN 0.506 nan 8.230 nan 0.000 0.474 524 V N 0.556 120.411 119.914 -0.098 0.000 2.307 524 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 524 V C 2.378 178.452 176.094 -0.034 0.000 1.045 524 V CA 2.323 64.595 62.300 -0.047 0.000 1.024 524 V CB -0.685 31.160 31.823 0.036 0.000 0.651 524 V HN 0.596 nan 8.190 nan 0.000 0.449 525 M N 0.845 120.469 119.600 0.041 0.000 2.132 525 M HA -0.162 4.317 4.480 -0.000 0.000 0.263 525 M C 2.437 178.632 176.300 -0.175 0.000 1.065 525 M CA 2.317 57.712 55.300 0.159 0.000 1.122 525 M CB -0.198 32.650 32.600 0.414 0.000 1.365 525 M HN 0.544 nan 8.290 nan 0.000 0.411 526 S N 0.500 115.785 115.700 -0.692 0.000 2.399 526 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 526 S C 1.989 176.198 174.600 -0.651 0.000 1.022 526 S CA 0.914 58.292 58.200 -1.369 0.000 0.983 526 S CB -0.867 61.254 63.200 -1.799 0.000 0.803 526 S HN 0.580 nan 8.310 nan 0.000 0.480 527 A N 2.018 124.555 122.820 -0.471 0.000 2.070 527 A HA -0.026 4.293 4.320 -0.000 0.000 0.220 527 A C 2.161 179.617 177.584 -0.213 0.000 1.159 527 A CA 1.364 53.182 52.037 -0.366 0.000 0.656 527 A CB -0.529 18.281 19.000 -0.317 0.000 0.800 527 A HN 0.637 nan 8.150 nan 0.000 0.453 528 K N -0.770 119.551 120.400 -0.131 0.000 2.288 528 K HA 0.059 4.378 4.320 -0.000 0.000 0.201 528 K C 1.125 177.718 176.600 -0.011 0.000 1.048 528 K CA 0.675 56.931 56.287 -0.052 0.000 0.956 528 K CB 0.031 32.537 32.500 0.010 0.000 0.746 528 K HN 0.390 nan 8.250 nan 0.000 0.461 529 I N -0.642 119.937 120.570 0.016 0.000 3.172 529 I HA 0.155 4.325 4.170 -0.000 0.000 0.278 529 I C 1.092 177.224 176.117 0.024 0.000 1.174 529 I CA 0.576 61.933 61.300 0.095 0.000 1.445 529 I CB 0.078 38.278 38.000 0.332 0.000 1.175 529 I HN 0.105 nan 8.210 nan 0.000 0.447 530 G N -0.682 108.077 108.800 -0.068 0.000 2.328 530 G HA2 0.446 4.406 3.960 -0.000 0.000 0.295 530 G HA3 0.446 4.406 3.960 -0.000 0.000 0.295 530 G C -0.645 174.110 174.900 -0.242 0.000 1.413 530 G CA -0.188 44.848 45.100 -0.107 0.000 0.817 530 G HN 0.282 nan 8.290 nan 0.000 0.546 531 G N -1.153 107.505 108.800 -0.237 0.000 2.562 531 G HA2 0.567 4.527 3.960 -0.000 0.000 0.275 531 G HA3 0.567 4.527 3.960 -0.000 0.000 0.275 531 G C -0.281 174.451 174.900 -0.280 0.000 1.196 531 G CA -0.545 44.331 45.100 -0.375 0.000 0.908 531 G HN 0.459 nan 8.290 nan 0.000 0.524 532 F N -0.748 119.110 119.950 -0.152 0.000 2.506 532 F HA 0.216 4.742 4.527 -0.000 0.000 0.351 532 F C 0.685 176.427 175.800 -0.097 0.000 1.136 532 F CA -0.697 57.206 58.000 -0.162 0.000 1.298 532 F CB 0.735 39.629 39.000 -0.176 0.000 1.145 532 F HN 0.169 nan 8.300 nan 0.000 0.593 533 L N 5.837 127.132 121.223 0.120 0.000 2.315 533 L HA 0.433 4.773 4.340 -0.000 0.000 0.283 533 L C -2.452 174.464 176.870 0.078 0.000 1.089 533 L CA -2.001 52.886 54.840 0.077 0.000 0.833 533 L CB 0.162 42.263 42.059 0.070 0.000 1.170 533 L HN 0.277 nan 8.230 nan 0.000 0.442 534 P HA 0.195 nan 4.420 nan 0.000 0.264 534 P C 0.629 177.980 177.300 0.085 0.000 1.183 534 P CA 1.099 64.238 63.100 0.065 0.000 0.763 534 P CB 0.680 32.413 31.700 0.056 0.000 0.807 535 G N 1.984 110.828 108.800 0.073 0.000 2.241 535 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 535 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 535 G C 0.524 175.510 174.900 0.144 0.000 0.998 535 G CA 0.236 45.401 45.100 0.109 0.000 0.621 535 G HN 0.524 nan 8.290 nan 0.000 0.519 536 S N 0.933 116.690 115.700 0.096 0.000 2.617 536 S HA 0.529 4.998 4.470 -0.000 0.000 0.237 536 S C 0.457 174.960 174.600 -0.161 0.000 1.142 536 S CA -0.533 57.700 58.200 0.055 0.000 1.167 536 S CB 0.260 63.472 63.200 0.021 0.000 1.068 536 S HN 0.473 nan 8.310 nan 0.000 0.470 537 L N 2.627 123.753 121.223 -0.162 0.000 2.464 537 L HA 0.349 4.689 4.340 -0.000 0.000 0.264 537 L C -2.020 174.559 176.870 -0.485 0.000 1.199 537 L CA -2.175 52.438 54.840 -0.378 0.000 0.818 537 L CB -0.047 41.850 42.059 -0.270 0.000 1.102 537 L HN 0.071 nan 8.230 nan 0.000 0.473 538 P HA 0.013 nan 4.420 nan 0.000 0.264 538 P C -1.464 175.605 177.300 -0.385 0.000 1.193 538 P CA 0.073 62.787 63.100 -0.644 0.000 0.763 538 P CB 0.541 31.761 31.700 -0.800 0.000 0.810 539 Q N 1.756 121.372 119.800 -0.307 0.000 2.426 539 Q HA 0.469 4.808 4.340 -0.000 0.000 0.278 539 Q C -1.466 174.389 176.000 -0.243 0.000 1.007 539 Q CA -0.871 54.833 55.803 -0.165 0.000 0.850 539 Q CB 0.691 29.409 28.738 -0.035 0.000 1.427 539 Q HN 0.102 nan 8.270 nan 0.000 0.391 540 F N 1.773 121.670 119.950 -0.088 0.000 2.443 540 F HA 0.281 4.808 4.527 -0.000 0.000 0.353 540 F C 0.554 176.326 175.800 -0.045 0.000 1.101 540 F CA -0.318 57.631 58.000 -0.084 0.000 1.226 540 F CB 0.887 39.825 39.000 -0.103 0.000 1.140 540 F HN 0.405 nan 8.300 nan 0.000 0.557 541 M N 1.859 121.513 119.600 0.090 0.000 2.255 541 M HA 0.114 4.594 4.480 -0.000 0.000 0.336 541 M C 0.285 176.636 176.300 0.086 0.000 1.135 541 M CA -0.583 54.747 55.300 0.050 0.000 1.145 541 M CB 0.430 33.022 32.600 -0.014 0.000 1.473 541 M HN 0.588 nan 8.290 nan 0.000 0.462 542 E N 3.142 123.368 120.200 0.044 0.000 2.708 542 E HA -0.036 4.313 4.350 -0.000 0.000 0.260 542 E C -2.136 174.494 176.600 0.050 0.000 0.937 542 E CA -1.050 55.373 56.400 0.038 0.000 0.953 542 E CB 0.289 29.987 29.700 -0.004 0.000 0.915 542 E HN 0.212 nan 8.360 nan 0.000 0.487 543 P HA 0.022 nan 4.420 nan 0.000 0.262 543 P C 0.349 177.584 177.300 -0.108 0.000 1.199 543 P CA 1.159 64.300 63.100 0.068 0.000 0.763 543 P CB 0.643 32.368 31.700 0.042 0.000 0.790 544 G N 2.575 111.312 108.800 -0.105 0.000 2.217 544 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.246 544 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.246 544 G C 0.755 175.619 174.900 -0.060 0.000 0.990 544 G CA 0.153 45.152 45.100 -0.169 0.000 0.627 544 G HN 0.514 nan 8.290 nan 0.000 0.522 545 L N 0.934 122.145 121.223 -0.021 0.000 2.187 545 L HA 0.137 4.477 4.340 -0.000 0.000 0.213 545 L C 2.834 179.732 176.870 0.045 0.000 1.100 545 L CA 2.407 57.246 54.840 -0.001 0.000 0.765 545 L CB -0.368 41.680 42.059 -0.018 0.000 0.904 545 L HN 0.426 nan 8.230 nan 0.000 0.437 546 V N -0.281 119.681 119.914 0.080 0.000 2.490 546 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 546 V C 1.519 177.734 176.094 0.202 0.000 1.061 546 V CA 1.250 63.656 62.300 0.175 0.000 1.064 546 V CB -0.218 31.741 31.823 0.225 0.000 0.670 546 V HN 0.489 nan 8.190 nan 0.000 0.461 547 L N 0.339 121.641 121.223 0.131 0.000 3.608 547 L HA -0.178 4.161 4.340 -0.000 0.000 0.422 547 L C 0.079 177.050 176.870 0.168 0.000 1.260 547 L CA 0.535 55.452 54.840 0.129 0.000 0.889 547 L CB -2.024 40.126 42.059 0.151 0.000 1.821 547 L HN 0.431 nan 8.230 nan 0.000 0.884 548 N N 0.581 119.387 118.700 0.177 0.000 2.416 548 N HA 0.260 5.000 4.740 -0.000 0.000 0.267 548 N C -0.142 175.506 175.510 0.231 0.000 1.294 548 N CA -0.379 52.819 53.050 0.246 0.000 0.891 548 N CB 0.602 39.284 38.487 0.325 0.000 1.238 548 N HN 0.236 nan 8.380 nan 0.000 0.508 549 L N 1.114 122.415 121.223 0.130 0.000 2.559 549 L HA 0.339 4.679 4.340 -0.000 0.000 0.274 549 L C 0.731 177.706 176.870 0.175 0.000 1.205 549 L CA 0.543 55.436 54.840 0.088 0.000 0.907 549 L CB 0.008 42.093 42.059 0.043 0.000 1.153 549 L HN 0.207 nan 8.230 nan 0.000 0.490 550 G N 1.987 110.909 108.800 0.203 0.000 2.730 550 G HA2 0.543 4.503 3.960 -0.000 0.000 0.289 550 G HA3 0.543 4.503 3.960 -0.000 0.000 0.289 550 G C 0.341 175.334 174.900 0.155 0.000 1.341 550 G CA -0.308 44.934 45.100 0.236 0.000 0.932 550 G HN 1.331 nan 8.290 nan 0.000 0.481 551 G N -1.235 107.628 108.800 0.106 0.000 2.184 551 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.264 551 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.264 551 G C 1.374 176.329 174.900 0.093 0.000 0.975 551 G CA 1.588 46.755 45.100 0.112 0.000 0.642 551 G HN 1.887 nan 8.290 nan 0.000 0.536 552 T N -1.942 112.621 114.554 0.014 0.000 3.007 552 T HA 0.121 4.471 4.350 -0.000 0.000 0.270 552 T C 1.071 175.851 174.700 0.134 0.000 1.107 552 T CA 1.892 64.040 62.100 0.081 0.000 1.118 552 T CB -0.297 68.626 68.868 0.093 0.000 0.889 552 T HN 1.569 nan 8.240 nan 0.000 0.506 553 H N -0.319 118.824 119.070 0.122 0.000 2.695 553 H HA 0.449 5.005 4.556 -0.000 0.000 0.222 553 H C -0.173 175.198 175.328 0.072 0.000 1.412 553 H CA -1.356 54.740 56.048 0.079 0.000 1.347 553 H CB -0.408 29.367 29.762 0.021 0.000 1.858 553 H HN 0.373 nan 8.280 nan 0.000 0.519 554 R N 0.636 121.226 120.500 0.149 0.000 2.582 554 R HA 0.349 4.689 4.340 -0.000 0.000 0.271 554 R C -0.348 176.016 176.300 0.107 0.000 1.078 554 R CA -0.792 55.367 56.100 0.099 0.000 1.127 554 R CB 1.058 31.410 30.300 0.087 0.000 1.038 554 R HN 0.448 nan 8.270 nan 0.000 0.500 555 M N 1.505 121.144 119.600 0.064 0.000 2.249 555 M HA 0.419 4.899 4.480 -0.000 0.000 0.351 555 M C -0.458 175.840 176.300 -0.002 0.000 1.180 555 M CA 0.352 55.665 55.300 0.021 0.000 1.127 555 M CB 1.429 34.017 32.600 -0.020 0.000 1.546 555 M HN 0.960 nan 8.290 nan 0.000 0.461 556 G N 2.244 111.052 108.800 0.013 0.000 2.550 556 G HA2 0.389 4.348 3.960 -0.000 0.000 0.293 556 G HA3 0.389 4.348 3.960 -0.000 0.000 0.293 556 G C -0.876 174.027 174.900 0.004 0.000 1.402 556 G CA -0.704 44.353 45.100 -0.072 0.000 0.784 556 G HN 0.666 nan 8.290 nan 0.000 0.482 557 F N -0.008 120.038 119.950 0.161 0.000 2.234 557 F HA 0.252 4.779 4.527 -0.000 0.000 0.296 557 F C 1.123 177.045 175.800 0.203 0.000 1.089 557 F CA 1.212 59.310 58.000 0.163 0.000 1.343 557 F CB 0.362 39.418 39.000 0.093 0.000 1.040 557 F HN 0.385 nan 8.300 nan 0.000 0.498 558 D N -1.034 119.518 120.400 0.253 0.000 2.757 558 D HA 0.126 4.766 4.640 -0.000 0.000 0.249 558 D C 0.680 176.821 176.300 -0.265 0.000 1.168 558 D CA -0.256 53.740 54.000 -0.007 0.000 0.870 558 D CB 1.310 42.126 40.800 0.027 0.000 1.411 558 D HN 0.085 nan 8.370 nan 0.000 0.525 559 E N 3.236 122.949 120.200 -0.811 0.000 2.070 559 E HA -0.270 4.080 4.350 -0.000 0.000 0.197 559 E C 1.335 177.753 176.600 -0.302 0.000 1.004 559 E CA 1.207 57.096 56.400 -0.852 0.000 0.805 559 E CB 0.274 29.328 29.700 -1.077 0.000 0.744 559 E HN 0.437 nan 8.360 nan 0.000 0.451 560 K N 0.141 120.412 120.400 -0.215 0.000 2.044 560 K HA -0.115 4.204 4.320 -0.000 0.000 0.204 560 K C 1.975 178.542 176.600 -0.056 0.000 1.045 560 K CA 1.309 57.538 56.287 -0.096 0.000 0.951 560 K CB 0.056 32.514 32.500 -0.070 0.000 0.738 560 K HN 0.087 nan 8.250 nan 0.000 0.443 561 E N 0.297 120.469 120.200 -0.047 0.000 2.208 561 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 561 E C 0.622 177.218 176.600 -0.006 0.000 0.988 561 E CA 0.900 57.294 56.400 -0.010 0.000 0.828 561 E CB 0.203 29.910 29.700 0.011 0.000 0.763 561 E HN 0.334 nan 8.360 nan 0.000 0.478 562 D N 0.195 120.585 120.400 -0.017 0.000 2.402 562 D HA 0.062 4.702 4.640 -0.000 0.000 0.216 562 D C -0.667 175.570 176.300 -0.105 0.000 1.128 562 D CA -0.043 53.943 54.000 -0.024 0.000 0.833 562 D CB 0.143 40.967 40.800 0.040 0.000 0.971 562 D HN 0.053 nan 8.370 nan 0.000 0.503 563 N N 0.672 119.306 118.700 -0.110 0.000 2.667 563 N HA -0.191 4.549 4.740 -0.000 0.000 0.263 563 N C -0.330 175.111 175.510 -0.115 0.000 1.038 563 N CA 0.636 53.598 53.050 -0.146 0.000 0.749 563 N CB -1.399 36.848 38.487 -0.399 0.000 0.892 563 N HN 0.412 nan 8.380 nan 0.000 0.546 564 C N -3.434 115.873 119.300 0.011 0.000 3.285 564 C HA 0.779 5.239 4.460 -0.000 0.000 0.320 564 C C 1.333 176.492 174.990 0.282 0.000 1.411 564 C CA -0.681 58.416 59.018 0.130 0.000 1.429 564 C CB 1.565 29.403 27.740 0.163 0.000 1.812 564 C HN 0.488 nan 8.230 nan 0.000 0.454 565 C N 0.301 119.799 119.300 0.331 0.000 3.123 565 C HA 0.486 4.946 4.460 -0.000 0.000 0.399 565 C C 0.670 175.768 174.990 0.180 0.000 1.320 565 C CA 0.574 59.788 59.018 0.326 0.000 1.949 565 C CB -0.400 27.453 27.740 0.189 0.000 2.692 565 C HN 0.961 nan 8.230 nan 0.000 0.623 566 V N 1.321 121.226 119.914 -0.015 0.000 2.914 566 V HA 0.706 4.825 4.120 -0.000 0.000 0.314 566 V C -0.728 175.034 176.094 -0.554 0.000 1.084 566 V CA -0.651 61.399 62.300 -0.417 0.000 0.963 566 V CB 1.502 33.208 31.823 -0.195 0.000 1.025 566 V HN 0.401 nan 8.190 nan 0.000 0.432 567 N N 0.976 119.182 118.700 -0.824 0.000 2.418 567 N HA 0.239 4.978 4.740 -0.000 0.000 0.283 567 N C 1.061 176.440 175.510 -0.219 0.000 1.267 567 N CA 0.237 53.037 53.050 -0.417 0.000 0.975 567 N CB -0.041 38.218 38.487 -0.380 0.000 1.167 567 N HN 0.937 nan 8.380 nan 0.000 0.581 568 T N -4.699 109.771 114.554 -0.140 0.000 3.113 568 T HA -0.006 4.344 4.350 -0.000 0.000 0.263 568 T C 0.119 174.746 174.700 -0.121 0.000 1.143 568 T CA 0.651 62.668 62.100 -0.138 0.000 1.090 568 T CB -0.407 68.397 68.868 -0.106 0.000 0.922 568 T HN 0.449 nan 8.240 nan 0.000 0.521 569 D N 1.079 121.396 120.400 -0.138 0.000 2.328 569 D HA 0.173 4.813 4.640 -0.000 0.000 0.221 569 D C 0.536 176.842 176.300 0.010 0.000 1.072 569 D CA 0.104 54.041 54.000 -0.105 0.000 0.850 569 D CB 0.084 40.702 40.800 -0.304 0.000 0.922 569 D HN 0.331 nan 8.370 nan 0.000 0.516 570 S N 0.375 116.049 115.700 -0.043 0.000 3.521 570 S HA -0.261 4.209 4.470 -0.000 0.000 0.328 570 S C 0.526 175.130 174.600 0.007 0.000 1.165 570 S CA 0.488 58.698 58.200 0.017 0.000 0.941 570 S CB -1.322 61.961 63.200 0.138 0.000 0.951 570 S HN 0.468 nan 8.310 nan 0.000 0.539 571 R N 0.931 121.306 120.500 -0.208 0.000 2.349 571 R HA 0.494 4.833 4.340 -0.000 0.000 0.299 571 R C -0.076 175.913 176.300 -0.518 0.000 1.027 571 R CA -0.491 55.288 56.100 -0.536 0.000 0.958 571 R CB 0.759 30.692 30.300 -0.612 0.000 1.047 571 R HN 0.133 nan 8.270 nan 0.000 0.468 572 V N 6.047 125.689 119.914 -0.454 0.000 2.529 572 V HA 0.024 4.144 4.120 -0.000 0.000 0.292 572 V C 0.123 176.140 176.094 -0.128 0.000 1.028 572 V CA 0.189 62.308 62.300 -0.302 0.000 1.074 572 V CB -0.051 31.583 31.823 -0.314 0.000 0.958 572 V HN 0.569 nan 8.190 nan 0.000 0.481 573 F N 3.719 123.702 119.950 0.056 0.000 2.629 573 F HA 0.377 4.904 4.527 -0.000 0.000 0.377 573 F C 1.609 177.535 175.800 0.209 0.000 1.101 573 F CA 1.534 59.594 58.000 0.101 0.000 1.301 573 F CB -0.092 38.961 39.000 0.088 0.000 1.062 573 F HN 0.787 nan 8.300 nan 0.000 0.583 574 G N 2.013 110.996 108.800 0.305 0.000 2.253 574 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.251 574 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.251 574 G C -0.115 174.746 174.900 -0.064 0.000 0.998 574 G CA -0.415 44.760 45.100 0.126 0.000 0.621 574 G HN 0.443 nan 8.290 nan 0.000 0.524 575 F N 1.093 121.067 119.950 0.040 0.000 2.427 575 F HA 0.616 5.142 4.527 -0.000 0.000 0.346 575 F C 1.339 177.124 175.800 -0.025 0.000 1.120 575 F CA -1.056 56.953 58.000 0.015 0.000 1.033 575 F CB 1.710 40.719 39.000 0.014 0.000 1.126 575 F HN -0.252 nan 8.300 nan 0.000 0.462 576 K N 1.675 122.167 120.400 0.154 0.000 2.148 576 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 576 K C 0.800 177.600 176.600 0.333 0.000 1.050 576 K CA 0.981 57.397 56.287 0.216 0.000 0.942 576 K CB -0.133 32.502 32.500 0.225 0.000 0.724 576 K HN 0.648 nan 8.250 nan 0.000 0.446 577 N N -0.052 118.812 118.700 0.274 0.000 2.377 577 N HA 0.052 4.792 4.740 -0.000 0.000 0.259 577 N C -0.747 174.860 175.510 0.162 0.000 1.332 577 N CA -0.362 52.891 53.050 0.337 0.000 0.877 577 N CB -0.074 38.673 38.487 0.434 0.000 1.299 577 N HN -0.049 nan 8.380 nan 0.000 0.501 578 L N 0.644 121.748 121.223 -0.198 0.000 2.349 578 L HA 0.705 5.045 4.340 -0.000 0.000 0.278 578 L C -1.796 174.691 176.870 -0.639 0.000 0.996 578 L CA -0.618 54.084 54.840 -0.231 0.000 0.825 578 L CB 0.879 42.801 42.059 -0.229 0.000 1.243 578 L HN -0.029 nan 8.230 nan 0.000 0.412 579 F N 4.881 124.752 119.950 -0.131 0.000 2.563 579 F HA 0.674 5.201 4.527 -0.000 0.000 0.316 579 F C -0.571 175.076 175.800 -0.255 0.000 1.076 579 F CA -0.711 57.192 58.000 -0.163 0.000 0.921 579 F CB 1.819 40.758 39.000 -0.101 0.000 1.209 579 F HN 0.191 nan 8.300 nan 0.000 0.462 580 L N 1.794 122.975 121.223 -0.071 0.000 2.346 580 L HA 0.889 5.229 4.340 -0.000 0.000 0.276 580 L C 0.034 176.903 176.870 -0.002 0.000 1.006 580 L CA -0.811 53.912 54.840 -0.195 0.000 0.817 580 L CB 1.935 43.723 42.059 -0.452 0.000 1.272 580 L HN 0.789 nan 8.230 nan 0.000 0.421 581 G N 0.334 109.140 108.800 0.011 0.000 2.524 581 G HA2 0.790 4.750 3.960 -0.000 0.000 0.310 581 G HA3 0.790 4.750 3.960 -0.000 0.000 0.310 581 G C -0.505 174.509 174.900 0.190 0.000 1.279 581 G CA -0.280 44.931 45.100 0.185 0.000 0.974 581 G HN 0.968 nan 8.290 nan 0.000 0.484 582 G N -1.179 107.732 108.800 0.184 0.000 2.343 582 G HA2 0.052 4.012 3.960 -0.000 0.000 0.465 582 G HA3 0.052 4.012 3.960 -0.000 0.000 0.465 582 G C 0.752 175.709 174.900 0.094 0.000 1.282 582 G CA 0.048 45.232 45.100 0.140 0.000 0.996 582 G HN 1.161 nan 8.290 nan 0.000 0.521 583 C N 0.691 120.024 119.300 0.055 0.000 2.432 583 C HA 0.207 4.667 4.460 -0.000 0.000 0.282 583 C C 3.070 178.045 174.990 -0.025 0.000 1.388 583 C CA 1.773 60.806 59.018 0.025 0.000 1.777 583 C CB -1.353 26.431 27.740 0.074 0.000 1.882 583 C HN 1.312 nan 8.230 nan 0.000 0.520 584 G N 1.379 110.074 108.800 -0.175 0.000 2.485 584 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.221 584 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.221 584 G C 1.419 175.960 174.900 -0.597 0.000 1.115 584 G CA 0.952 45.658 45.100 -0.657 0.000 0.751 584 G HN 0.562 nan 8.290 nan 0.000 0.567 585 N N 0.310 118.891 118.700 -0.199 0.000 2.331 585 N HA 0.018 4.758 4.740 -0.000 0.000 0.180 585 N C 0.934 176.466 175.510 0.036 0.000 1.019 585 N CA 0.180 53.252 53.050 0.037 0.000 0.881 585 N CB 0.008 38.563 38.487 0.113 0.000 0.972 585 N HN 0.313 nan 8.380 nan 0.000 0.435 586 I N 3.087 123.679 120.570 0.038 0.000 2.505 586 I HA 0.035 4.205 4.170 -0.000 0.000 0.287 586 I C -1.367 174.847 176.117 0.162 0.000 1.104 586 I CA -0.977 60.378 61.300 0.092 0.000 1.387 586 I CB 1.201 39.220 38.000 0.032 0.000 1.404 586 I HN -0.068 nan 8.210 nan 0.000 0.528 587 P HA 0.064 nan 4.420 nan 0.000 0.267 587 P C 0.232 177.622 177.300 0.150 0.000 1.289 587 P CA 0.175 63.348 63.100 0.122 0.000 0.866 587 P CB 0.189 31.921 31.700 0.053 0.000 1.309 588 T N -2.344 112.337 114.554 0.212 0.000 2.912 588 T HA 0.677 5.027 4.350 -0.000 0.000 0.280 588 T C 0.209 175.037 174.700 0.215 0.000 0.989 588 T CA -0.873 61.339 62.100 0.188 0.000 0.995 588 T CB 1.265 70.227 68.868 0.157 0.000 1.077 588 T HN 0.055 nan 8.240 nan 0.000 0.531 589 A N 2.010 124.888 122.820 0.097 0.000 2.350 589 A HA 0.587 4.907 4.320 -0.000 0.000 0.293 589 A C -0.582 176.959 177.584 -0.072 0.000 1.231 589 A CA -0.788 51.250 52.037 0.001 0.000 0.883 589 A CB -1.022 18.005 19.000 0.045 0.000 1.133 589 A HN 0.873 nan 8.150 nan 0.000 0.533 590 Y N -0.447 119.768 120.300 -0.143 0.000 2.512 590 Y HA 0.721 5.270 4.550 -0.000 0.000 0.348 590 Y C 0.736 176.518 175.900 -0.196 0.000 0.990 590 Y CA -0.704 57.129 58.100 -0.445 0.000 1.033 590 Y CB 1.384 39.341 38.460 -0.839 0.000 1.259 590 Y HN 0.372 nan 8.280 nan 0.000 0.461 591 G N 0.546 109.285 108.800 -0.102 0.000 2.673 591 G HA2 0.378 4.338 3.960 -0.000 0.000 0.208 591 G HA3 0.378 4.338 3.960 -0.000 0.000 0.208 591 G C 0.474 175.465 174.900 0.153 0.000 1.128 591 G CA 0.153 45.374 45.100 0.203 0.000 0.805 591 G HN 0.962 nan 8.290 nan 0.000 0.526 592 A N 0.800 123.548 122.820 -0.121 0.000 2.448 592 A HA 0.424 4.744 4.320 -0.000 0.000 0.239 592 A C -0.036 177.499 177.584 -0.081 0.000 1.080 592 A CA -0.354 51.494 52.037 -0.315 0.000 0.779 592 A CB -0.009 18.820 19.000 -0.285 0.000 1.026 592 A HN 0.391 nan 8.150 nan 0.000 0.499 593 N N 2.132 120.678 118.700 -0.257 0.000 2.483 593 N HA 0.266 5.006 4.740 -0.000 0.000 0.264 593 N C -1.985 173.611 175.510 0.144 0.000 1.197 593 N CA -0.984 52.042 53.050 -0.041 0.000 0.927 593 N CB 0.495 38.922 38.487 -0.101 0.000 1.065 593 N HN 0.424 nan 8.380 nan 0.000 0.461 594 P HA -0.017 nan 4.420 nan 0.000 0.240 594 P C 0.473 177.743 177.300 -0.050 0.000 1.190 594 P CA 0.660 63.764 63.100 0.007 0.000 0.781 594 P CB 0.276 31.932 31.700 -0.074 0.000 0.931 595 T N 1.181 115.776 114.554 0.067 0.000 2.684 595 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 595 T C 1.786 176.590 174.700 0.174 0.000 1.036 595 T CA 1.164 63.328 62.100 0.108 0.000 1.148 595 T CB -0.920 68.009 68.868 0.102 0.000 0.863 595 T HN 0.025 nan 8.240 nan 0.000 0.436 596 L N 1.019 122.367 121.223 0.209 0.000 2.042 596 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 596 L C 2.546 179.512 176.870 0.161 0.000 1.076 596 L CA 1.789 56.796 54.840 0.279 0.000 0.749 596 L CB -1.100 41.108 42.059 0.248 0.000 0.893 596 L HN 0.226 nan 8.230 nan 0.000 0.432 597 T N -0.483 114.046 114.554 -0.042 0.000 2.737 597 T HA -0.144 4.205 4.350 -0.000 0.000 0.265 597 T C 1.912 176.541 174.700 -0.119 0.000 1.038 597 T CA 1.260 63.228 62.100 -0.219 0.000 1.144 597 T CB -0.520 67.799 68.868 -0.916 0.000 0.866 597 T HN 0.510 nan 8.240 nan 0.000 0.434 598 A N 1.625 124.386 122.820 -0.098 0.000 1.908 598 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 598 A C 2.329 179.894 177.584 -0.032 0.000 1.181 598 A CA 1.908 53.923 52.037 -0.037 0.000 0.627 598 A CB -0.789 18.209 19.000 -0.003 0.000 0.818 598 A HN 0.518 nan 8.150 nan 0.000 0.445 599 M N -0.168 119.422 119.600 -0.017 0.000 2.108 599 M HA -0.171 4.308 4.480 -0.000 0.000 0.261 599 M C 2.148 178.372 176.300 -0.126 0.000 1.066 599 M CA 2.215 57.477 55.300 -0.064 0.000 1.107 599 M CB -0.179 32.392 32.600 -0.047 0.000 1.356 599 M HN 0.391 nan 8.290 nan 0.000 0.406 600 S N 1.029 116.655 115.700 -0.123 0.000 2.368 600 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 600 S C 1.750 176.169 174.600 -0.301 0.000 1.030 600 S CA 1.387 59.446 58.200 -0.235 0.000 0.999 600 S CB -0.514 62.499 63.200 -0.312 0.000 0.844 600 S HN 0.517 nan 8.310 nan 0.000 0.459 601 L N 1.066 122.152 121.223 -0.227 0.000 2.083 601 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 601 L C 2.784 179.529 176.870 -0.209 0.000 1.083 601 L CA 1.101 55.807 54.840 -0.223 0.000 0.752 601 L CB -0.714 41.285 42.059 -0.099 0.000 0.899 601 L HN 0.324 nan 8.230 nan 0.000 0.433 602 A N 0.473 123.167 122.820 -0.211 0.000 1.902 602 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 602 A C 2.211 179.475 177.584 -0.534 0.000 1.181 602 A CA 1.442 53.237 52.037 -0.403 0.000 0.623 602 A CB -0.609 18.170 19.000 -0.369 0.000 0.818 602 A HN 0.331 nan 8.150 nan 0.000 0.443 603 I N -0.451 119.905 120.570 -0.357 0.000 2.127 603 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 603 I C 2.546 178.500 176.117 -0.271 0.000 1.075 603 I CA 2.028 63.152 61.300 -0.292 0.000 1.334 603 I CB -0.315 37.537 38.000 -0.247 0.000 1.040 603 I HN 0.374 nan 8.210 nan 0.000 0.405 604 K N 0.588 120.826 120.400 -0.270 0.000 2.044 604 K HA -0.269 4.051 4.320 -0.000 0.000 0.210 604 K C 2.374 178.884 176.600 -0.150 0.000 1.049 604 K CA 2.094 58.249 56.287 -0.218 0.000 0.927 604 K CB -0.208 32.129 32.500 -0.272 0.000 0.713 604 K HN 0.171 nan 8.250 nan 0.000 0.443 605 S N -0.061 115.532 115.700 -0.178 0.000 2.359 605 S HA -0.193 4.276 4.470 -0.000 0.000 0.224 605 S C 2.099 176.595 174.600 -0.173 0.000 1.035 605 S CA 1.599 59.733 58.200 -0.110 0.000 1.018 605 S CB -0.529 62.635 63.200 -0.059 0.000 0.876 605 S HN 0.581 nan 8.310 nan 0.000 0.448 606 C N 1.444 120.549 119.300 -0.326 0.000 2.425 606 C HA -0.005 4.454 4.460 -0.000 0.000 0.277 606 C C 2.515 177.413 174.990 -0.154 0.000 1.280 606 C CA 0.776 59.618 59.018 -0.293 0.000 1.744 606 C CB -1.521 26.012 27.740 -0.345 0.000 1.989 606 C HN 0.686 nan 8.230 nan 0.000 0.491 607 E N -0.541 119.593 120.200 -0.109 0.000 2.085 607 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 607 E C 1.839 178.444 176.600 0.008 0.000 0.994 607 E CA 1.595 57.967 56.400 -0.047 0.000 0.801 607 E CB -0.337 29.333 29.700 -0.050 0.000 0.743 607 E HN 0.840 nan 8.360 nan 0.000 0.453 608 Y N 1.218 121.484 120.300 -0.057 0.000 2.181 608 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 608 Y C 1.982 177.916 175.900 0.055 0.000 1.146 608 Y CA 1.477 59.589 58.100 0.020 0.000 1.164 608 Y CB -0.077 38.430 38.460 0.079 0.000 0.982 608 Y HN -0.053 nan 8.280 nan 0.000 0.515 609 I N 0.333 120.915 120.570 0.020 0.000 2.179 609 I HA -0.340 3.830 4.170 -0.000 0.000 0.242 609 I C 2.308 178.469 176.117 0.073 0.000 1.088 609 I CA 1.703 63.003 61.300 -0.001 0.000 1.357 609 I CB -0.401 37.385 38.000 -0.357 0.000 1.051 609 I HN 0.164 nan 8.210 nan 0.000 0.409 610 K N 0.327 120.732 120.400 0.009 0.000 2.147 610 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 610 K C 1.952 178.593 176.600 0.067 0.000 1.049 610 K CA 1.228 57.589 56.287 0.122 0.000 0.936 610 K CB -0.106 32.440 32.500 0.076 0.000 0.722 610 K HN 0.440 nan 8.250 nan 0.000 0.446 611 Q N -0.319 119.452 119.800 -0.048 0.000 2.425 611 Q HA 0.071 4.411 4.340 -0.000 0.000 0.204 611 Q C 0.909 176.788 176.000 -0.200 0.000 0.933 611 Q CA 0.405 56.141 55.803 -0.111 0.000 0.939 611 Q CB 0.469 29.127 28.738 -0.133 0.000 1.044 611 Q HN 0.267 nan 8.270 nan 0.000 0.513 612 N N -0.995 117.557 118.700 -0.247 0.000 2.145 612 N HA 0.143 4.883 4.740 -0.000 0.000 0.219 612 N C -0.952 174.171 175.510 -0.645 0.000 1.266 612 N CA 0.265 53.030 53.050 -0.476 0.000 0.902 612 N CB 1.060 39.089 38.487 -0.764 0.000 1.078 612 N HN 0.002 nan 8.380 nan 0.000 0.513 613 F N 0.657 120.628 119.950 0.033 0.000 2.561 613 F HA 0.322 4.849 4.527 -0.000 0.000 0.313 613 F C 0.052 175.965 175.800 0.189 0.000 1.126 613 F CA -0.635 57.445 58.000 0.132 0.000 0.918 613 F CB 1.855 40.954 39.000 0.164 0.000 1.199 613 F HN -0.375 nan 8.300 nan 0.000 0.444 614 T N 4.514 119.210 114.554 0.236 0.000 2.771 614 T HA 0.389 4.739 4.350 -0.000 0.000 0.291 614 T C -2.478 172.215 174.700 -0.012 0.000 0.954 614 T CA -1.340 60.801 62.100 0.069 0.000 1.045 614 T CB 0.920 69.800 68.868 0.020 0.000 0.917 614 T HN 0.137 nan 8.240 nan 0.000 0.484 615 P HA 0.151 nan 4.420 nan 0.000 0.269 615 P C -0.044 177.169 177.300 -0.144 0.000 1.209 615 P CA -0.483 62.353 63.100 -0.439 0.000 0.776 615 P CB 0.309 31.597 31.700 -0.686 0.000 0.876 616 S N 2.710 118.370 115.700 -0.066 0.000 2.585 616 S HA 0.343 4.813 4.470 -0.000 0.000 0.273 616 S C -2.138 172.456 174.600 -0.011 0.000 1.339 616 S CA -1.047 57.141 58.200 -0.019 0.000 1.028 616 S CB -0.695 62.502 63.200 -0.005 0.000 0.906 616 S HN 0.324 nan 8.310 nan 0.000 0.528 617 P HA 0.159 nan 4.420 nan 0.000 0.271 617 P C -0.821 176.564 177.300 0.142 0.000 1.216 617 P CA -0.433 62.702 63.100 0.057 0.000 0.771 617 P CB 0.126 31.851 31.700 0.041 0.000 0.864 618 F N 3.674 123.608 119.950 -0.028 0.000 2.464 618 F HA 0.193 4.719 4.527 -0.000 0.000 0.353 618 F C 0.827 176.618 175.800 -0.015 0.000 1.191 618 F CA -0.628 57.361 58.000 -0.017 0.000 1.147 618 F CB -0.648 38.344 39.000 -0.013 0.000 1.294 618 F HN 0.197 nan 8.300 nan 0.000 0.583 619 T N 0.000 114.787 114.554 0.389 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.188 62.100 0.147 0.000 1.349 619 T CB 0.000 68.935 68.868 0.112 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658