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 2igo_1_B DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.277 176.300 -0.039 0.000 1.140 43 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 43 M CB 0.000 32.346 32.600 -0.424 0.000 1.302 44 D N 3.033 123.457 120.400 0.040 0.000 2.383 44 D HA 0.459 5.098 4.640 -0.001 0.000 0.248 44 D C 1.191 177.391 176.300 -0.166 0.000 1.170 44 D CA -0.114 53.781 54.000 -0.175 0.000 0.977 44 D CB 0.910 41.420 40.800 -0.482 0.000 1.120 44 D HN 0.679 nan 8.370 nan 0.000 0.481 45 I N -2.242 118.220 120.570 -0.180 0.000 3.603 45 I HA 0.224 4.393 4.170 -0.001 0.000 0.297 45 I C 0.450 176.525 176.117 -0.070 0.000 1.269 45 I CA 0.377 61.628 61.300 -0.081 0.000 1.361 45 I CB -0.205 37.766 38.000 -0.047 0.000 1.063 45 I HN -0.020 nan 8.210 nan 0.000 0.448 46 K N 0.388 120.624 120.400 -0.274 0.000 2.507 46 K HA 0.552 4.871 4.320 -0.001 0.000 0.251 46 K C -1.879 174.449 176.600 -0.452 0.000 0.943 46 K CA -0.591 55.577 56.287 -0.198 0.000 0.794 46 K CB 1.121 33.552 32.500 -0.114 0.000 1.188 46 K HN 0.089 nan 8.250 nan 0.000 0.428 47 Y N 1.229 121.534 120.300 0.009 0.000 2.602 47 Y HA 0.276 4.826 4.550 -0.001 0.000 0.342 47 Y C 0.734 176.634 175.900 -0.000 0.000 1.029 47 Y CA -0.727 57.379 58.100 0.010 0.000 1.080 47 Y CB 1.868 40.334 38.460 0.011 0.000 1.284 47 Y HN 0.627 nan 8.280 nan 0.000 0.485 48 D N 0.172 120.688 120.400 0.192 0.000 2.097 48 D HA -0.006 4.633 4.640 -0.001 0.000 0.197 48 D C -0.306 176.015 176.300 0.034 0.000 0.984 48 D CA 1.534 55.629 54.000 0.158 0.000 0.826 48 D CB 0.214 41.186 40.800 0.288 0.000 0.973 48 D HN 0.106 nan 8.370 nan 0.000 0.460 49 V N 1.146 121.074 119.914 0.022 0.000 2.577 49 V HA 0.319 4.438 4.120 -0.001 0.000 0.303 49 V C -0.264 175.758 176.094 -0.120 0.000 1.042 49 V CA -1.049 61.166 62.300 -0.141 0.000 0.872 49 V CB 2.416 34.128 31.823 -0.185 0.000 0.998 49 V HN -0.020 nan 8.190 nan 0.000 0.423 50 V N 3.279 123.073 119.914 -0.200 0.000 2.483 50 V HA 0.747 4.866 4.120 -0.001 0.000 0.295 50 V C -0.517 175.534 176.094 -0.071 0.000 1.035 50 V CA -0.539 61.705 62.300 -0.093 0.000 0.896 50 V CB 1.623 33.467 31.823 0.035 0.000 0.986 50 V HN 0.683 nan 8.190 nan 0.000 0.447 51 I N 4.260 124.818 120.570 -0.020 0.000 2.436 51 I HA 0.466 4.635 4.170 -0.001 0.000 0.289 51 I C -0.583 175.571 176.117 0.061 0.000 1.010 51 I CA -0.924 60.346 61.300 -0.051 0.000 1.098 51 I CB 2.242 40.198 38.000 -0.074 0.000 1.266 51 I HN 0.440 nan 8.210 nan 0.000 0.434 52 V N 5.440 125.370 119.914 0.027 0.000 2.348 52 V HA 0.786 4.905 4.120 -0.001 0.000 0.270 52 V C 0.477 176.582 176.094 0.019 0.000 1.037 52 V CA -0.271 62.067 62.300 0.063 0.000 0.872 52 V CB 0.515 32.347 31.823 0.014 0.000 1.002 52 V HN 1.066 nan 8.190 nan 0.000 0.464 53 G N 3.921 112.749 108.800 0.047 0.000 3.069 53 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.686 53 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.686 53 G C -0.056 174.866 174.900 0.037 0.000 1.161 53 G CA -0.265 44.854 45.100 0.031 0.000 0.804 53 G HN 1.240 nan 8.290 nan 0.000 0.608 54 S N 0.921 116.647 115.700 0.043 0.000 2.601 54 S HA 0.598 5.067 4.470 -0.001 0.000 0.244 54 S C 1.313 175.935 174.600 0.037 0.000 1.001 54 S CA 0.684 58.918 58.200 0.056 0.000 0.984 54 S CB 0.708 63.954 63.200 0.076 0.000 0.842 54 S HN 1.888 nan 8.310 nan 0.000 0.474 55 G N 2.770 111.582 108.800 0.021 0.000 2.611 55 G HA2 0.384 4.343 3.960 -0.001 0.000 0.273 55 G HA3 0.384 4.343 3.960 -0.001 0.000 0.273 55 G C -1.139 173.755 174.900 -0.011 0.000 1.305 55 G CA -1.308 43.791 45.100 -0.003 0.000 1.010 55 G HN 0.225 nan 8.290 nan 0.000 0.509 56 P HA -0.082 nan 4.420 nan 0.000 0.219 56 P C 1.683 178.944 177.300 -0.065 0.000 1.146 56 P CA 0.820 63.889 63.100 -0.051 0.000 0.808 56 P CB 0.183 31.881 31.700 -0.003 0.000 0.779 57 I N -0.045 120.519 120.570 -0.010 0.000 2.277 57 I HA -0.023 4.146 4.170 -0.001 0.000 0.243 57 I C 2.720 178.904 176.117 0.112 0.000 1.094 57 I CA 1.511 62.838 61.300 0.044 0.000 1.393 57 I CB -2.265 35.786 38.000 0.085 0.000 1.078 57 I HN -0.002 nan 8.210 nan 0.000 0.417 58 G N 0.577 109.417 108.800 0.066 0.000 2.469 58 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.219 58 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.219 58 G C 1.784 176.689 174.900 0.008 0.000 1.150 58 G CA 1.146 46.272 45.100 0.044 0.000 0.763 58 G HN 0.406 nan 8.290 nan 0.000 0.561 59 C N 0.560 119.842 119.300 -0.030 0.000 2.419 59 C HA 0.012 4.471 4.460 -0.001 0.000 0.281 59 C C 3.196 178.060 174.990 -0.210 0.000 1.336 59 C CA 1.421 60.376 59.018 -0.106 0.000 1.770 59 C CB -1.038 26.691 27.740 -0.017 0.000 1.929 59 C HN 0.462 nan 8.230 nan 0.000 0.509 60 T N -0.203 114.260 114.554 -0.151 0.000 2.737 60 T HA -0.149 4.201 4.350 -0.001 0.000 0.265 60 T C 1.483 176.033 174.700 -0.249 0.000 1.038 60 T CA 1.543 63.521 62.100 -0.204 0.000 1.144 60 T CB -0.421 68.357 68.868 -0.150 0.000 0.866 60 T HN 0.556 nan 8.240 nan 0.000 0.434 61 Y N 1.492 121.655 120.300 -0.228 0.000 2.165 61 Y HA -0.090 4.459 4.550 -0.001 0.000 0.286 61 Y C 2.721 178.408 175.900 -0.356 0.000 1.155 61 Y CA 0.980 58.928 58.100 -0.253 0.000 1.164 61 Y CB -0.583 37.749 38.460 -0.214 0.000 0.978 61 Y HN 0.204 nan 8.280 nan 0.000 0.513 62 A N 0.158 122.783 122.820 -0.324 0.000 1.877 62 A HA -0.226 4.094 4.320 -0.001 0.000 0.216 62 A C 2.278 179.266 177.584 -0.994 0.000 1.186 62 A CA 1.805 53.395 52.037 -0.744 0.000 0.620 62 A CB -0.746 17.552 19.000 -1.170 0.000 0.822 62 A HN 0.439 nan 8.150 nan 0.000 0.443 63 R N -0.427 119.547 120.500 -0.875 0.000 2.083 63 R HA -0.159 4.181 4.340 -0.001 0.000 0.237 63 R C 1.979 178.054 176.300 -0.376 0.000 1.137 63 R CA 1.759 57.490 56.100 -0.615 0.000 0.951 63 R CB -0.239 29.755 30.300 -0.510 0.000 0.851 63 R HN 0.553 nan 8.270 nan 0.000 0.434 64 E N 0.421 120.433 120.200 -0.314 0.000 2.046 64 E HA -0.143 4.206 4.350 -0.001 0.000 0.190 64 E C 2.133 178.660 176.600 -0.122 0.000 0.982 64 E CA 1.138 57.432 56.400 -0.177 0.000 0.800 64 E CB -0.022 29.569 29.700 -0.182 0.000 0.756 64 E HN 0.420 nan 8.360 nan 0.000 0.449 65 L N 0.326 121.452 121.223 -0.162 0.000 2.162 65 L HA -0.059 4.281 4.340 -0.001 0.000 0.205 65 L C 2.513 179.435 176.870 0.087 0.000 1.086 65 L CA 0.261 55.068 54.840 -0.054 0.000 0.778 65 L CB -0.256 41.665 42.059 -0.230 0.000 0.928 65 L HN -0.059 nan 8.230 nan 0.000 0.446 66 V N 0.569 120.437 119.914 -0.077 0.000 2.343 66 V HA -0.194 3.925 4.120 -0.001 0.000 0.247 66 V C 2.648 178.764 176.094 0.037 0.000 1.051 66 V CA 2.076 64.375 62.300 -0.001 0.000 1.036 66 V CB -1.220 30.532 31.823 -0.118 0.000 0.654 66 V HN 0.558 nan 8.190 nan 0.000 0.451 67 G N -0.459 108.332 108.800 -0.014 0.000 2.432 67 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.219 67 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.219 67 G C 1.484 176.394 174.900 0.017 0.000 1.135 67 G CA 0.891 45.991 45.100 0.000 0.000 0.767 67 G HN 0.639 nan 8.290 nan 0.000 0.550 68 A N -0.595 122.264 122.820 0.065 0.000 2.251 68 A HA 0.490 4.810 4.320 -0.001 0.000 0.209 68 A C 1.915 179.488 177.584 -0.018 0.000 1.187 68 A CA 1.219 53.299 52.037 0.071 0.000 0.823 68 A CB -0.310 18.812 19.000 0.203 0.000 0.846 68 A HN 1.555 nan 8.150 nan 0.000 0.486 69 G N -2.339 106.463 108.800 0.003 0.000 2.159 69 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.227 69 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.227 69 G C -0.032 174.816 174.900 -0.086 0.000 0.986 69 G CA 0.058 45.117 45.100 -0.067 0.000 0.651 69 G HN 0.382 nan 8.290 nan 0.000 0.523 70 Y N 0.516 120.841 120.300 0.042 0.000 2.379 70 Y HA 0.448 4.997 4.550 -0.001 0.000 0.337 70 Y C 1.088 177.048 175.900 0.100 0.000 1.238 70 Y CA 0.201 58.336 58.100 0.059 0.000 1.405 70 Y CB 0.704 39.177 38.460 0.023 0.000 1.310 70 Y HN 0.096 nan 8.280 nan 0.000 0.569 71 K N 2.478 123.040 120.400 0.270 0.000 2.267 71 K HA 0.483 4.802 4.320 -0.001 0.000 0.282 71 K C -1.680 175.090 176.600 0.284 0.000 1.078 71 K CA -0.199 56.241 56.287 0.256 0.000 0.903 71 K CB 0.159 32.778 32.500 0.199 0.000 1.111 71 K HN 0.497 nan 8.250 nan 0.000 0.475 72 V N 3.068 123.129 119.914 0.245 0.000 2.555 72 V HA 0.641 4.760 4.120 -0.001 0.000 0.302 72 V C -0.429 175.585 176.094 -0.133 0.000 1.038 72 V CA -0.940 61.432 62.300 0.120 0.000 0.887 72 V CB 1.541 33.476 31.823 0.186 0.000 0.991 72 V HN 0.906 nan 8.190 nan 0.000 0.434 73 A N 5.406 127.969 122.820 -0.428 0.000 2.350 73 A HA 0.942 5.261 4.320 -0.001 0.000 0.324 73 A C -0.695 176.542 177.584 -0.579 0.000 1.118 73 A CA -0.627 50.925 52.037 -0.808 0.000 0.783 73 A CB 1.634 19.795 19.000 -1.399 0.000 1.236 73 A HN 0.912 nan 8.150 nan 0.000 0.457 74 M N 2.448 121.625 119.600 -0.704 0.000 2.259 74 M HA 0.694 5.173 4.480 -0.001 0.000 0.304 74 M C -2.166 173.830 176.300 -0.507 0.000 1.019 74 M CA -0.413 54.672 55.300 -0.357 0.000 0.922 74 M CB 1.034 33.637 32.600 0.005 0.000 1.600 74 M HN 0.594 nan 8.290 nan 0.000 0.433 75 F N 2.619 122.574 119.950 0.008 0.000 2.443 75 F HA 0.533 5.059 4.527 -0.001 0.000 0.335 75 F C 0.019 175.825 175.800 0.009 0.000 1.104 75 F CA -0.406 57.615 58.000 0.036 0.000 1.013 75 F CB 1.266 40.266 39.000 -0.000 0.000 1.136 75 F HN 0.458 nan 8.300 nan 0.000 0.470 76 D N 3.136 123.628 120.400 0.153 0.000 2.896 76 D HA 0.212 4.851 4.640 -0.001 0.000 0.241 76 D C 0.671 176.997 176.300 0.044 0.000 1.188 76 D CA -0.354 53.691 54.000 0.074 0.000 0.879 76 D CB 2.318 43.145 40.800 0.045 0.000 1.553 76 D HN 0.639 nan 8.370 nan 0.000 0.515 77 I N 2.071 122.621 120.570 -0.033 0.000 2.454 77 I HA -0.042 4.127 4.170 -0.001 0.000 0.254 77 I C 1.125 177.202 176.117 -0.067 0.000 1.156 77 I CA 0.937 62.170 61.300 -0.110 0.000 1.433 77 I CB 0.168 37.983 38.000 -0.308 0.000 1.082 77 I HN 0.339 nan 8.210 nan 0.000 0.432 78 G N -0.167 108.614 108.800 -0.031 0.000 2.568 78 G HA2 0.411 4.370 3.960 -0.001 0.000 0.293 78 G HA3 0.411 4.370 3.960 -0.001 0.000 0.293 78 G C -0.904 174.012 174.900 0.027 0.000 1.347 78 G CA -0.440 44.664 45.100 0.007 0.000 1.039 78 G HN 0.290 nan 8.290 nan 0.000 0.523 79 E N -1.283 118.938 120.200 0.035 0.000 2.299 79 E HA 0.355 4.704 4.350 -0.001 0.000 0.265 79 E C -0.577 176.045 176.600 0.036 0.000 0.911 79 E CA -0.753 55.669 56.400 0.037 0.000 0.789 79 E CB 2.647 32.372 29.700 0.041 0.000 1.246 79 E HN 0.261 nan 8.360 nan 0.000 0.427 80 I N 2.686 123.275 120.570 0.032 0.000 2.587 80 I HA -0.022 4.147 4.170 -0.001 0.000 0.284 80 I C -0.260 175.881 176.117 0.041 0.000 1.134 80 I CA 0.683 62.004 61.300 0.034 0.000 1.410 80 I CB 0.070 38.085 38.000 0.025 0.000 1.392 80 I HN 0.495 nan 8.210 nan 0.000 0.545 81 D N 3.122 123.552 120.400 0.050 0.000 3.407 81 D HA 0.068 4.707 4.640 -0.001 0.000 0.291 81 D C -0.347 176.001 176.300 0.080 0.000 1.309 81 D CA -0.404 53.632 54.000 0.060 0.000 0.747 81 D CB 0.148 40.981 40.800 0.055 0.000 1.343 81 D HN 0.219 nan 8.370 nan 0.000 0.631 82 S N -0.187 115.565 115.700 0.085 0.000 2.855 82 S HA 0.638 5.107 4.470 -0.001 0.000 0.249 82 S C 0.809 175.477 174.600 0.114 0.000 1.033 82 S CA 0.051 58.320 58.200 0.115 0.000 1.038 82 S CB 0.797 64.066 63.200 0.115 0.000 0.960 82 S HN 0.956 nan 8.310 nan 0.000 0.548 83 G N 1.449 110.304 108.800 0.092 0.000 2.615 83 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.218 83 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.218 83 G C 0.286 175.221 174.900 0.058 0.000 1.339 83 G CA -0.284 44.863 45.100 0.079 0.000 0.884 83 G HN 0.280 nan 8.290 nan 0.000 0.559 84 L N 0.183 121.435 121.223 0.048 0.000 2.291 84 L HA 0.096 4.436 4.340 -0.001 0.000 0.214 84 L C 1.539 178.423 176.870 0.023 0.000 1.120 84 L CA 0.994 55.851 54.840 0.028 0.000 0.799 84 L CB -0.303 41.768 42.059 0.020 0.000 0.925 84 L HN 0.315 nan 8.230 nan 0.000 0.446 85 K N 1.565 121.989 120.400 0.040 0.000 2.263 85 K HA 0.345 4.664 4.320 -0.001 0.000 0.282 85 K C -0.257 176.366 176.600 0.039 0.000 1.089 85 K CA -0.269 56.038 56.287 0.033 0.000 0.907 85 K CB 1.047 33.582 32.500 0.058 0.000 1.148 85 K HN 0.072 nan 8.250 nan 0.000 0.470 86 I N 1.854 122.431 120.570 0.011 0.000 2.618 86 I HA -0.044 4.125 4.170 -0.001 0.000 0.284 86 I C 1.375 177.513 176.117 0.035 0.000 1.146 86 I CA 0.626 61.938 61.300 0.020 0.000 1.425 86 I CB 0.554 38.553 38.000 -0.001 0.000 1.383 86 I HN 0.962 nan 8.210 nan 0.000 0.562 87 G N 4.278 113.111 108.800 0.055 0.000 2.155 87 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.257 87 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.257 87 G C 0.358 175.316 174.900 0.097 0.000 0.983 87 G CA 0.184 45.323 45.100 0.065 0.000 0.676 87 G HN 0.964 nan 8.290 nan 0.000 0.528 88 A N -0.486 122.405 122.820 0.119 0.000 2.259 88 A HA 0.637 4.956 4.320 -0.001 0.000 0.278 88 A C 0.532 178.255 177.584 0.231 0.000 1.107 88 A CA -0.258 51.888 52.037 0.181 0.000 0.828 88 A CB 0.307 19.411 19.000 0.174 0.000 1.111 88 A HN 0.602 nan 8.150 nan 0.000 0.498 89 H N 0.173 119.384 119.070 0.236 0.000 2.722 89 H HA 0.162 4.717 4.556 -0.001 0.000 0.328 89 H C 0.569 176.033 175.328 0.227 0.000 1.067 89 H CA 0.504 56.708 56.048 0.261 0.000 1.447 89 H CB 0.955 30.888 29.762 0.286 0.000 1.469 89 H HN 0.664 nan 8.280 nan 0.000 0.544 90 K N 3.314 123.909 120.400 0.326 0.000 2.365 90 K HA -0.082 4.237 4.320 -0.001 0.000 0.199 90 K C 1.605 178.482 176.600 0.461 0.000 1.045 90 K CA 0.505 57.047 56.287 0.425 0.000 0.962 90 K CB 0.369 33.125 32.500 0.427 0.000 0.759 90 K HN 0.412 nan 8.250 nan 0.000 0.469 91 K N 1.087 121.620 120.400 0.222 0.000 2.525 91 K HA -0.000 4.319 4.320 -0.001 0.000 0.192 91 K C 0.457 177.080 176.600 0.037 0.000 1.029 91 K CA 0.391 56.450 56.287 -0.380 0.000 1.029 91 K CB 0.223 31.978 32.500 -1.242 0.000 0.814 91 K HN 0.006 nan 8.250 nan 0.000 0.503 92 N N 1.599 120.435 118.700 0.228 0.000 2.375 92 N HA -0.029 4.710 4.740 -0.001 0.000 0.220 92 N C -0.461 175.301 175.510 0.420 0.000 1.170 92 N CA 0.338 53.543 53.050 0.257 0.000 0.833 92 N CB 0.513 39.199 38.487 0.331 0.000 1.069 92 N HN 0.286 nan 8.380 nan 0.000 0.479 93 T N -3.870 110.909 114.554 0.375 0.000 2.934 93 T HA 0.307 4.657 4.350 -0.001 0.000 0.283 93 T C 1.651 176.566 174.700 0.359 0.000 1.005 93 T CA -0.742 61.558 62.100 0.334 0.000 1.041 93 T CB 1.664 70.668 68.868 0.228 0.000 1.042 93 T HN -0.212 nan 8.240 nan 0.000 0.505 94 V N 1.053 121.151 119.914 0.306 0.000 2.407 94 V HA -0.107 4.012 4.120 -0.001 0.000 0.248 94 V C 2.845 179.027 176.094 0.147 0.000 1.055 94 V CA 2.220 64.690 62.300 0.284 0.000 1.049 94 V CB -1.022 30.886 31.823 0.141 0.000 0.662 94 V HN 1.008 nan 8.190 nan 0.000 0.455 95 E N -0.201 120.019 120.200 0.034 0.000 2.058 95 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 95 E C 1.977 178.517 176.600 -0.100 0.000 0.997 95 E CA 1.814 58.161 56.400 -0.088 0.000 0.801 95 E CB -0.347 29.218 29.700 -0.226 0.000 0.746 95 E HN 0.700 nan 8.360 nan 0.000 0.450 96 Y N 0.569 120.950 120.300 0.136 0.000 2.373 96 Y HA 0.014 4.564 4.550 -0.001 0.000 0.293 96 Y C 2.142 178.073 175.900 0.052 0.000 1.129 96 Y CA 0.975 59.144 58.100 0.114 0.000 1.226 96 Y CB -0.109 38.426 38.460 0.125 0.000 1.000 96 Y HN 0.148 nan 8.280 nan 0.000 0.549 97 Q N -0.070 119.832 119.800 0.171 0.000 2.378 97 Q HA -0.106 4.233 4.340 -0.001 0.000 0.205 97 Q C 1.524 177.589 176.000 0.108 0.000 0.954 97 Q CA 0.862 56.714 55.803 0.081 0.000 0.901 97 Q CB -0.006 28.698 28.738 -0.056 0.000 0.981 97 Q HN 0.491 nan 8.270 nan 0.000 0.483 98 K N 0.195 120.664 120.400 0.115 0.000 2.356 98 K HA 0.082 4.401 4.320 -0.001 0.000 0.195 98 K C 0.346 177.002 176.600 0.093 0.000 1.037 98 K CA 0.304 56.645 56.287 0.090 0.000 1.014 98 K CB 0.527 33.068 32.500 0.069 0.000 0.815 98 K HN 0.079 nan 8.250 nan 0.000 0.507 99 N N 1.365 120.143 118.700 0.129 0.000 2.703 99 N HA 0.051 4.790 4.740 -0.001 0.000 0.283 99 N C 0.103 175.757 175.510 0.240 0.000 1.851 99 N CA 0.025 53.167 53.050 0.154 0.000 0.826 99 N CB 1.096 39.660 38.487 0.129 0.000 1.239 99 N HN 0.014 nan 8.380 nan 0.000 0.495 100 I N 0.668 121.356 120.570 0.197 0.000 2.493 100 I HA -0.155 4.014 4.170 -0.001 0.000 0.254 100 I C 0.819 177.064 176.117 0.214 0.000 1.160 100 I CA 1.485 62.903 61.300 0.197 0.000 1.445 100 I CB 0.137 38.207 38.000 0.117 0.000 1.086 100 I HN 0.163 nan 8.210 nan 0.000 0.433 101 D N 0.790 121.314 120.400 0.208 0.000 2.269 101 D HA -0.114 4.526 4.640 -0.001 0.000 0.208 101 D C 1.937 178.334 176.300 0.162 0.000 0.963 101 D CA 0.464 54.579 54.000 0.193 0.000 0.864 101 D CB 0.048 40.992 40.800 0.239 0.000 0.936 101 D HN 0.287 nan 8.370 nan 0.000 0.505 102 K N 0.253 120.785 120.400 0.220 0.000 2.283 102 K HA -0.097 4.222 4.320 -0.001 0.000 0.202 102 K C 1.748 178.450 176.600 0.170 0.000 1.048 102 K CA 0.071 56.495 56.287 0.229 0.000 0.948 102 K CB -0.420 32.286 32.500 0.344 0.000 0.742 102 K HN 0.204 nan 8.250 nan 0.000 0.458 103 F N 1.452 121.372 119.950 -0.050 0.000 2.333 103 F HA -0.170 4.356 4.527 -0.001 0.000 0.300 103 F C 1.885 177.561 175.800 -0.207 0.000 1.083 103 F CA 0.548 58.340 58.000 -0.348 0.000 1.395 103 F CB -0.052 38.710 39.000 -0.397 0.000 1.056 103 F HN -0.289 nan 8.300 nan 0.000 0.529 104 V N 0.412 120.246 119.914 -0.135 0.000 2.392 104 V HA -0.365 3.755 4.120 -0.001 0.000 0.249 104 V C 1.833 177.768 176.094 -0.265 0.000 1.059 104 V CA 2.398 64.581 62.300 -0.196 0.000 1.051 104 V CB -0.899 30.821 31.823 -0.171 0.000 0.658 104 V HN 0.376 nan 8.190 nan 0.000 0.455 105 N N -0.310 118.258 118.700 -0.220 0.000 2.223 105 N HA -0.137 4.602 4.740 -0.001 0.000 0.185 105 N C 1.647 176.997 175.510 -0.268 0.000 1.016 105 N CA 1.233 54.170 53.050 -0.187 0.000 0.863 105 N CB -0.235 38.200 38.487 -0.086 0.000 0.983 105 N HN 0.313 nan 8.380 nan 0.000 0.429 106 V N 1.167 120.794 119.914 -0.479 0.000 2.307 106 V HA -0.190 3.929 4.120 -0.001 0.000 0.245 106 V C 2.030 177.826 176.094 -0.498 0.000 1.045 106 V CA 1.360 63.322 62.300 -0.563 0.000 1.024 106 V CB -0.461 30.726 31.823 -1.060 0.000 0.651 106 V HN 0.293 nan 8.190 nan 0.000 0.449 107 I N -0.231 119.979 120.570 -0.600 0.000 2.118 107 I HA -0.371 3.798 4.170 -0.001 0.000 0.241 107 I C 2.677 178.678 176.117 -0.193 0.000 1.070 107 I CA 1.921 63.028 61.300 -0.322 0.000 1.327 107 I CB -0.424 37.426 38.000 -0.249 0.000 1.034 107 I HN 0.365 nan 8.210 nan 0.000 0.405 108 Q N 0.220 119.906 119.800 -0.190 0.000 2.167 108 Q HA -0.104 4.236 4.340 -0.001 0.000 0.202 108 Q C 2.324 178.264 176.000 -0.100 0.000 0.970 108 Q CA 1.348 57.073 55.803 -0.129 0.000 0.855 108 Q CB -0.362 28.298 28.738 -0.131 0.000 0.911 108 Q HN 0.653 nan 8.270 nan 0.000 0.438 109 G N 1.364 110.095 108.800 -0.115 0.000 2.471 109 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.219 109 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.219 109 G C 1.154 176.023 174.900 -0.052 0.000 1.125 109 G CA 0.726 45.780 45.100 -0.076 0.000 0.775 109 G HN 0.467 nan 8.290 nan 0.000 0.548 110 Q N -0.690 119.072 119.800 -0.063 0.000 2.194 110 Q HA 0.374 4.713 4.340 -0.001 0.000 0.214 110 Q C 0.173 176.169 176.000 -0.007 0.000 0.838 110 Q CA -0.266 55.521 55.803 -0.026 0.000 0.972 110 Q CB 0.182 28.903 28.738 -0.027 0.000 1.131 110 Q HN 0.269 nan 8.270 nan 0.000 0.498 111 L N 2.197 123.409 121.223 -0.019 0.000 2.255 111 L HA 0.447 4.786 4.340 -0.001 0.000 0.289 111 L C -0.783 176.094 176.870 0.012 0.000 1.046 111 L CA -0.688 54.152 54.840 0.000 0.000 0.816 111 L CB 1.049 43.097 42.059 -0.018 0.000 1.197 111 L HN 0.155 nan 8.230 nan 0.000 0.427 112 M N 2.152 121.776 119.600 0.040 0.000 2.268 112 M HA 0.283 4.763 4.480 -0.001 0.000 0.344 112 M C 0.214 176.544 176.300 0.050 0.000 1.106 112 M CA -0.109 55.219 55.300 0.048 0.000 1.010 112 M CB 1.750 34.399 32.600 0.083 0.000 1.649 112 M HN 0.302 nan 8.290 nan 0.000 0.443 113 S N 1.613 117.333 115.700 0.033 0.000 2.552 113 S HA 0.111 4.580 4.470 -0.001 0.000 0.289 113 S C 1.431 176.061 174.600 0.050 0.000 1.304 113 S CA -0.538 57.680 58.200 0.030 0.000 1.063 113 S CB 0.532 63.739 63.200 0.012 0.000 0.848 113 S HN 0.583 nan 8.310 nan 0.000 0.499 114 V N 2.634 122.590 119.914 0.069 0.000 2.323 114 V HA 0.020 4.139 4.120 -0.001 0.000 0.244 114 V C 1.149 177.251 176.094 0.012 0.000 1.041 114 V CA 1.323 63.661 62.300 0.064 0.000 1.025 114 V CB 0.093 31.995 31.823 0.133 0.000 0.656 114 V HN 0.777 nan 8.190 nan 0.000 0.451 115 S N -0.655 115.072 115.700 0.044 0.000 2.720 115 S HA 0.565 5.034 4.470 -0.001 0.000 0.278 115 S C -1.222 173.378 174.600 -0.001 0.000 1.172 115 S CA -0.444 57.743 58.200 -0.022 0.000 1.019 115 S CB 1.621 64.768 63.200 -0.088 0.000 1.049 115 S HN -0.026 nan 8.310 nan 0.000 0.483 116 V N 7.863 127.763 119.914 -0.023 0.000 2.378 116 V HA 0.576 4.696 4.120 -0.001 0.000 0.288 116 V C -1.977 174.096 176.094 -0.034 0.000 1.016 116 V CA -1.732 60.555 62.300 -0.022 0.000 0.840 116 V CB 1.769 33.579 31.823 -0.022 0.000 0.994 116 V HN 0.736 nan 8.190 nan 0.000 0.431 117 P HA 0.212 nan 4.420 nan 0.000 0.274 117 P C -0.231 177.041 177.300 -0.047 0.000 1.256 117 P CA -0.175 62.902 63.100 -0.039 0.000 0.795 117 P CB 1.077 32.755 31.700 -0.036 0.000 1.038 118 V N 2.103 121.991 119.914 -0.044 0.000 2.655 118 V HA -0.007 4.112 4.120 -0.001 0.000 0.300 118 V C 1.243 177.280 176.094 -0.094 0.000 1.044 118 V CA 0.093 62.362 62.300 -0.051 0.000 1.095 118 V CB -0.512 31.302 31.823 -0.015 0.000 0.952 118 V HN 0.618 nan 8.190 nan 0.000 0.485 119 N N 3.430 122.066 118.700 -0.107 0.000 2.458 119 N HA 0.107 4.846 4.740 -0.001 0.000 0.270 119 N C 0.556 175.886 175.510 -0.299 0.000 1.102 119 N CA 0.296 53.257 53.050 -0.147 0.000 0.967 119 N CB 1.598 40.030 38.487 -0.091 0.000 1.078 119 N HN 0.856 nan 8.380 nan 0.000 0.471 120 T N 0.898 115.162 114.554 -0.484 0.000 3.252 120 T HA 0.267 4.616 4.350 -0.001 0.000 0.286 120 T C 0.851 175.105 174.700 -0.744 0.000 1.013 120 T CA -0.453 60.943 62.100 -1.174 0.000 0.914 120 T CB -0.395 67.931 68.868 -0.903 0.000 1.131 120 T HN 0.284 nan 8.240 nan 0.000 0.529 121 L N 1.915 122.961 121.223 -0.293 0.000 2.453 121 L HA 0.337 4.677 4.340 -0.001 0.000 0.272 121 L C 0.065 176.986 176.870 0.086 0.000 1.182 121 L CA -0.610 54.180 54.840 -0.083 0.000 0.858 121 L CB 0.698 42.737 42.059 -0.034 0.000 1.120 121 L HN 0.073 nan 8.230 nan 0.000 0.474 122 V N 4.622 124.602 119.914 0.111 0.000 2.383 122 V HA 0.217 4.337 4.120 -0.001 0.000 0.275 122 V C 0.157 176.316 176.094 0.109 0.000 1.036 122 V CA -0.480 61.934 62.300 0.190 0.000 0.889 122 V CB 1.752 33.672 31.823 0.162 0.000 0.985 122 V HN 0.412 nan 8.190 nan 0.000 0.459 123 V N 5.389 125.367 119.914 0.106 0.000 2.313 123 V HA 0.356 4.475 4.120 -0.001 0.000 0.278 123 V C 0.191 176.314 176.094 0.048 0.000 1.017 123 V CA -0.397 61.943 62.300 0.066 0.000 0.823 123 V CB 1.444 33.307 31.823 0.067 0.000 1.010 123 V HN 1.075 nan 8.190 nan 0.000 0.443 124 D N 2.057 122.478 120.400 0.035 0.000 2.535 124 D HA 0.005 4.645 4.640 -0.001 0.000 0.229 124 D C 1.096 177.404 176.300 0.015 0.000 1.238 124 D CA 0.282 54.294 54.000 0.020 0.000 0.824 124 D CB 0.422 41.233 40.800 0.018 0.000 1.045 124 D HN 0.543 nan 8.370 nan 0.000 0.500 125 T N -1.712 112.853 114.554 0.020 0.000 3.215 125 T HA 0.333 4.682 4.350 -0.001 0.000 0.271 125 T C 0.731 175.442 174.700 0.019 0.000 1.012 125 T CA -0.552 61.558 62.100 0.016 0.000 0.899 125 T CB -0.315 68.563 68.868 0.017 0.000 1.089 125 T HN 0.013 nan 8.240 nan 0.000 0.552 126 L N 2.153 123.389 121.223 0.022 0.000 2.483 126 L HA 0.250 4.589 4.340 -0.001 0.000 0.276 126 L C 1.166 178.047 176.870 0.018 0.000 1.213 126 L CA -0.423 54.433 54.840 0.026 0.000 0.843 126 L CB 0.265 42.343 42.059 0.032 0.000 1.107 126 L HN 0.254 nan 8.230 nan 0.000 0.487 127 S N 2.280 117.994 115.700 0.023 0.000 2.563 127 S HA 0.087 4.557 4.470 -0.001 0.000 0.284 127 S C -1.369 173.238 174.600 0.012 0.000 1.331 127 S CA -1.004 57.206 58.200 0.017 0.000 1.047 127 S CB 0.790 64.004 63.200 0.023 0.000 0.859 127 S HN 0.416 nan 8.310 nan 0.000 0.514 128 P HA -0.104 nan 4.420 nan 0.000 0.218 128 P C 1.411 178.712 177.300 0.001 0.000 1.146 128 P CA 1.568 64.665 63.100 -0.005 0.000 0.813 128 P CB -0.223 31.474 31.700 -0.006 0.000 0.778 129 T N -5.492 109.071 114.554 0.016 0.000 3.023 129 T HA 0.069 4.418 4.350 -0.001 0.000 0.266 129 T C 1.031 175.763 174.700 0.053 0.000 1.093 129 T CA 0.152 62.270 62.100 0.029 0.000 1.129 129 T CB -0.636 68.251 68.868 0.031 0.000 0.899 129 T HN -0.090 nan 8.240 nan 0.000 0.491 130 S N 1.352 117.087 115.700 0.058 0.000 2.564 130 S HA 0.260 4.729 4.470 -0.001 0.000 0.278 130 S C -0.509 174.169 174.600 0.131 0.000 1.333 130 S CA -0.971 57.292 58.200 0.105 0.000 1.048 130 S CB 0.086 63.342 63.200 0.094 0.000 0.900 130 S HN 0.585 nan 8.310 nan 0.000 0.505 131 W N 2.972 124.278 121.300 0.011 0.000 2.347 131 W HA 0.124 4.783 4.660 -0.001 0.000 0.333 131 W C 0.348 176.880 176.519 0.022 0.000 1.383 131 W CA 0.426 57.777 57.345 0.010 0.000 1.283 131 W CB 0.171 29.638 29.460 0.011 0.000 1.253 131 W HN 0.518 nan 8.180 nan 0.000 0.563 132 Q N 5.038 124.519 119.800 -0.532 0.000 2.292 132 Q HA 0.516 4.855 4.340 -0.001 0.000 0.270 132 Q C -0.194 175.242 176.000 -0.939 0.000 1.024 132 Q CA -0.838 54.702 55.803 -0.438 0.000 0.768 132 Q CB 1.631 30.211 28.738 -0.264 0.000 1.250 132 Q HN 0.638 nan 8.270 nan 0.000 0.447 133 A N 2.313 124.752 122.820 -0.635 0.000 2.616 133 A HA -0.060 4.260 4.320 -0.001 0.000 0.234 133 A C 0.666 178.061 177.584 -0.315 0.000 1.024 133 A CA 0.814 52.658 52.037 -0.322 0.000 0.758 133 A CB 0.252 19.340 19.000 0.146 0.000 0.939 133 A HN 0.868 nan 8.150 nan 0.000 0.510 134 S N -0.077 115.467 115.700 -0.261 0.000 2.524 134 S HA 0.144 4.613 4.470 -0.001 0.000 0.216 134 S C 0.889 175.371 174.600 -0.197 0.000 0.987 134 S CA 0.807 58.880 58.200 -0.211 0.000 0.909 134 S CB -0.109 62.989 63.200 -0.169 0.000 0.781 134 S HN 1.180 nan 8.310 nan 0.000 0.521 135 T N -1.439 113.033 114.554 -0.138 0.000 2.865 135 T HA 0.632 4.981 4.350 -0.001 0.000 0.294 135 T C -0.914 173.714 174.700 -0.119 0.000 1.119 135 T CA -0.737 61.281 62.100 -0.136 0.000 1.007 135 T CB 0.694 69.595 68.868 0.056 0.000 1.225 135 T HN -0.098 nan 8.240 nan 0.000 0.515 136 F N 2.960 122.990 119.950 0.133 0.000 2.605 136 F HA 0.398 4.924 4.527 -0.001 0.000 0.352 136 F C 0.366 176.216 175.800 0.083 0.000 1.236 136 F CA -1.908 56.130 58.000 0.063 0.000 1.267 136 F CB -0.987 38.023 39.000 0.017 0.000 1.632 136 F HN 0.547 nan 8.300 nan 0.000 0.639 137 F N -0.726 119.326 119.950 0.170 0.000 2.368 137 F HA 0.603 5.130 4.527 -0.001 0.000 0.308 137 F C -0.061 175.812 175.800 0.120 0.000 1.198 137 F CA -1.681 56.395 58.000 0.128 0.000 1.130 137 F CB -0.186 38.879 39.000 0.109 0.000 1.300 137 F HN -0.176 nan 8.300 nan 0.000 0.537 138 V N 2.980 123.018 119.914 0.208 0.000 2.421 138 V HA 0.300 4.419 4.120 -0.001 0.000 0.271 138 V C -0.075 176.031 176.094 0.020 0.000 1.031 138 V CA -0.141 62.202 62.300 0.072 0.000 1.032 138 V CB -0.810 31.081 31.823 0.113 0.000 1.009 138 V HN 0.772 nan 8.190 nan 0.000 0.477 139 R N 3.828 124.240 120.500 -0.147 0.000 2.836 139 R HA 0.580 4.920 4.340 -0.001 0.000 0.269 139 R C 0.070 176.324 176.300 -0.076 0.000 1.010 139 R CA -1.139 54.875 56.100 -0.145 0.000 0.930 139 R CB 0.703 30.780 30.300 -0.371 0.000 1.218 139 R HN 0.462 nan 8.270 nan 0.000 0.473 140 N N 0.145 118.823 118.700 -0.036 0.000 2.725 140 N HA -0.188 4.551 4.740 -0.001 0.000 0.249 140 N C 0.532 176.030 175.510 -0.020 0.000 1.103 140 N CA 1.550 54.584 53.050 -0.027 0.000 0.707 140 N CB -1.225 37.240 38.487 -0.038 0.000 1.043 140 N HN 1.116 nan 8.380 nan 0.000 0.553 141 G N -1.543 107.251 108.800 -0.011 0.000 2.153 141 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.252 141 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.252 141 G C 0.333 175.226 174.900 -0.011 0.000 0.994 141 G CA 1.015 46.111 45.100 -0.006 0.000 0.698 141 G HN 1.325 nan 8.290 nan 0.000 0.521 142 S N -0.728 114.959 115.700 -0.021 0.000 2.584 142 S HA 0.477 4.947 4.470 -0.001 0.000 0.270 142 S C 0.145 174.733 174.600 -0.020 0.000 1.346 142 S CA 0.056 58.240 58.200 -0.026 0.000 1.018 142 S CB 1.776 64.952 63.200 -0.040 0.000 0.899 142 S HN 0.720 nan 8.310 nan 0.000 0.542 143 N N 1.808 120.489 118.700 -0.032 0.000 2.511 143 N HA 0.373 5.112 4.740 -0.001 0.000 0.249 143 N C -1.776 173.715 175.510 -0.032 0.000 0.971 143 N CA -2.530 50.494 53.050 -0.044 0.000 0.938 143 N CB 1.411 39.843 38.487 -0.092 0.000 1.131 143 N HN 0.369 nan 8.380 nan 0.000 0.505 144 P HA -0.025 nan 4.420 nan 0.000 0.233 144 P C 0.346 177.663 177.300 0.029 0.000 1.167 144 P CA 0.699 63.812 63.100 0.022 0.000 0.770 144 P CB 0.610 32.340 31.700 0.049 0.000 0.837 145 E N 0.039 120.241 120.200 0.004 0.000 2.204 145 E HA -0.119 4.230 4.350 -0.001 0.000 0.194 145 E C 0.968 177.562 176.600 -0.010 0.000 0.989 145 E CA 0.691 57.107 56.400 0.027 0.000 0.824 145 E CB -0.275 29.370 29.700 -0.092 0.000 0.756 145 E HN 0.311 nan 8.360 nan 0.000 0.477 146 Q N 2.339 122.098 119.800 -0.069 0.000 2.296 146 Q HA 0.002 4.341 4.340 -0.001 0.000 0.263 146 Q C -0.797 175.202 176.000 -0.002 0.000 1.026 146 Q CA -0.067 55.695 55.803 -0.069 0.000 0.912 146 Q CB 0.559 29.246 28.738 -0.085 0.000 1.198 146 Q HN -0.175 nan 8.270 nan 0.000 0.407 147 D N 6.179 126.599 120.400 0.034 0.000 2.358 147 D HA 0.041 4.680 4.640 -0.001 0.000 0.258 147 D C -1.700 174.612 176.300 0.021 0.000 1.223 147 D CA -1.847 52.177 54.000 0.039 0.000 0.886 147 D CB 1.242 42.080 40.800 0.064 0.000 1.120 147 D HN 0.428 nan 8.370 nan 0.000 0.482 148 P HA -0.078 nan 4.420 nan 0.000 0.226 148 P C 1.244 178.544 177.300 0.000 0.000 1.153 148 P CA 0.670 63.765 63.100 -0.008 0.000 0.777 148 P CB 0.334 32.017 31.700 -0.027 0.000 0.794 149 L N -1.187 120.041 121.223 0.007 0.000 2.607 149 L HA 0.182 4.521 4.340 -0.001 0.000 0.228 149 L C 1.500 178.383 176.870 0.021 0.000 1.123 149 L CA 0.217 55.063 54.840 0.010 0.000 0.890 149 L CB -0.146 41.916 42.059 0.005 0.000 1.103 149 L HN -0.168 nan 8.230 nan 0.000 0.468 150 R N -0.167 120.355 120.500 0.036 0.000 2.776 150 R HA 0.210 4.549 4.340 -0.001 0.000 0.391 150 R C -0.365 175.989 176.300 0.090 0.000 1.116 150 R CA -0.276 55.858 56.100 0.057 0.000 1.056 150 R CB 0.281 30.617 30.300 0.062 0.000 1.369 150 R HN 0.047 nan 8.270 nan 0.000 0.590 151 N N 0.643 119.374 118.700 0.051 0.000 2.459 151 N HA 0.336 5.076 4.740 -0.001 0.000 0.288 151 N C -0.640 174.792 175.510 -0.130 0.000 1.186 151 N CA -0.608 52.460 53.050 0.031 0.000 0.917 151 N CB 1.166 39.665 38.487 0.020 0.000 1.219 151 N HN 0.085 nan 8.380 nan 0.000 0.525 152 L N 2.122 123.110 121.223 -0.393 0.000 2.407 152 L HA 0.208 4.547 4.340 -0.001 0.000 0.261 152 L C 1.455 178.145 176.870 -0.299 0.000 1.108 152 L CA -0.302 54.178 54.840 -0.600 0.000 0.995 152 L CB 0.289 41.580 42.059 -1.280 0.000 1.349 152 L HN 0.632 nan 8.230 nan 0.000 0.423 153 S N -0.130 115.486 115.700 -0.141 0.000 2.423 153 S HA -0.101 4.368 4.470 -0.001 0.000 0.231 153 S C 1.731 176.291 174.600 -0.067 0.000 1.014 153 S CA 0.896 59.059 58.200 -0.063 0.000 0.965 153 S CB -0.122 63.054 63.200 -0.041 0.000 0.785 153 S HN 0.638 nan 8.310 nan 0.000 0.495 154 G N 0.322 109.062 108.800 -0.099 0.000 2.880 154 G HA2 0.125 4.085 3.960 -0.001 0.000 0.209 154 G HA3 0.125 4.085 3.960 -0.001 0.000 0.209 154 G C 0.515 175.367 174.900 -0.080 0.000 1.157 154 G CA -0.348 44.705 45.100 -0.079 0.000 0.779 154 G HN 0.343 nan 8.290 nan 0.000 0.539 155 Q N 0.575 120.305 119.800 -0.117 0.000 2.330 155 Q HA 0.508 4.847 4.340 -0.001 0.000 0.279 155 Q C -0.118 175.892 176.000 0.017 0.000 1.024 155 Q CA 0.344 56.105 55.803 -0.070 0.000 0.900 155 Q CB 1.410 30.089 28.738 -0.098 0.000 1.221 155 Q HN 0.297 nan 8.270 nan 0.000 0.396 156 A N 1.788 124.625 122.820 0.028 0.000 2.612 156 A HA 0.713 5.032 4.320 -0.001 0.000 0.293 156 A C -1.163 176.449 177.584 0.047 0.000 1.075 156 A CA -0.492 51.568 52.037 0.037 0.000 0.680 156 A CB 1.301 20.311 19.000 0.017 0.000 1.279 156 A HN 0.488 nan 8.150 nan 0.000 0.411 157 V N -1.892 118.061 119.914 0.064 0.000 2.962 157 V HA 0.928 5.048 4.120 -0.001 0.000 0.313 157 V C -0.443 175.709 176.094 0.095 0.000 1.099 157 V CA -0.533 61.819 62.300 0.087 0.000 0.971 157 V CB 1.522 33.417 31.823 0.120 0.000 1.028 157 V HN 0.922 nan 8.190 nan 0.000 0.430 158 T N 3.125 117.733 114.554 0.090 0.000 2.823 158 T HA 0.620 4.969 4.350 -0.001 0.000 0.279 158 T C -0.268 174.472 174.700 0.067 0.000 0.998 158 T CA -0.494 61.646 62.100 0.068 0.000 0.994 158 T CB 1.133 70.028 68.868 0.044 0.000 0.960 158 T HN 0.764 nan 8.240 nan 0.000 0.448 159 R N 2.392 122.922 120.500 0.050 0.000 2.415 159 R HA 0.600 4.939 4.340 -0.001 0.000 0.292 159 R C -0.923 175.391 176.300 0.023 0.000 1.295 159 R CA -0.562 55.548 56.100 0.017 0.000 1.137 159 R CB 0.967 31.261 30.300 -0.009 0.000 1.135 159 R HN 0.550 nan 8.270 nan 0.000 0.560 160 V N -1.680 118.248 119.914 0.022 0.000 3.204 160 V HA 0.447 4.566 4.120 -0.001 0.000 0.298 160 V C -0.197 175.913 176.094 0.027 0.000 1.328 160 V CA -1.134 61.183 62.300 0.028 0.000 1.035 160 V CB 1.885 33.726 31.823 0.030 0.000 1.095 160 V HN 0.129 nan 8.190 nan 0.000 0.442 161 V N 2.797 122.730 119.914 0.033 0.000 2.655 161 V HA 0.530 4.649 4.120 -0.001 0.000 0.300 161 V C 1.742 177.859 176.094 0.038 0.000 1.044 161 V CA 1.878 64.200 62.300 0.037 0.000 1.095 161 V CB 0.218 32.065 31.823 0.040 0.000 0.952 161 V HN 2.154 nan 8.190 nan 0.000 0.485 162 G N 3.191 112.013 108.800 0.037 0.000 2.217 162 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.246 162 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.246 162 G C 1.039 175.939 174.900 -0.001 0.000 0.990 162 G CA 0.350 45.467 45.100 0.027 0.000 0.627 162 G HN 2.134 nan 8.290 nan 0.000 0.522 163 G N 0.204 109.008 108.800 0.007 0.000 2.594 163 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.297 163 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.297 163 G C 1.175 176.066 174.900 -0.015 0.000 1.273 163 G CA 1.358 46.459 45.100 0.002 0.000 0.974 163 G HN 1.142 nan 8.290 nan 0.000 0.552 164 M N 1.533 121.119 119.600 -0.024 0.000 2.557 164 M HA 0.026 4.505 4.480 -0.001 0.000 0.259 164 M C 2.655 178.911 176.300 -0.072 0.000 1.086 164 M CA 1.610 56.903 55.300 -0.012 0.000 1.096 164 M CB -0.148 32.468 32.600 0.028 0.000 1.424 164 M HN 0.696 nan 8.290 nan 0.000 0.488 165 S N -0.282 115.285 115.700 -0.221 0.000 2.603 165 S HA -0.064 4.405 4.470 -0.001 0.000 0.229 165 S C 1.691 176.235 174.600 -0.095 0.000 0.972 165 S CA 1.134 59.063 58.200 -0.452 0.000 0.935 165 S CB -0.868 62.023 63.200 -0.515 0.000 0.769 165 S HN 0.571 nan 8.310 nan 0.000 0.536 166 T N -2.528 111.982 114.554 -0.074 0.000 3.118 166 T HA 0.485 4.835 4.350 -0.001 0.000 0.260 166 T C 1.222 175.730 174.700 -0.320 0.000 1.139 166 T CA 0.504 62.535 62.100 -0.116 0.000 1.085 166 T CB 0.015 68.878 68.868 -0.009 0.000 0.934 166 T HN 0.582 nan 8.240 nan 0.000 0.518 167 A N 0.039 122.770 122.820 -0.149 0.000 2.653 167 A HA 0.423 4.742 4.320 -0.001 0.000 0.248 167 A C 0.598 178.387 177.584 0.341 0.000 1.211 167 A CA -0.740 51.352 52.037 0.092 0.000 0.991 167 A CB -0.097 18.959 19.000 0.093 0.000 1.252 167 A HN 0.620 nan 8.150 nan 0.000 0.593 168 W N 0.083 121.406 121.300 0.038 0.000 2.034 168 W HA 0.406 5.065 4.660 -0.001 0.000 0.357 168 W C 0.039 176.659 176.519 0.168 0.000 1.326 168 W CA 0.729 58.156 57.345 0.137 0.000 1.318 168 W CB -0.749 28.770 29.460 0.098 0.000 1.193 168 W HN -0.050 nan 8.180 nan 0.000 0.620 169 T N 0.925 115.429 114.554 -0.084 0.000 3.088 169 T HA 0.002 4.352 4.350 -0.001 0.000 0.259 169 T C 1.034 175.282 174.700 -0.752 0.000 1.122 169 T CA 1.107 62.981 62.100 -0.377 0.000 1.095 169 T CB -0.552 68.260 68.868 -0.093 0.000 0.930 169 T HN 0.652 nan 8.240 nan 0.000 0.508 170 C N 1.017 119.442 119.300 -1.458 0.000 4.497 170 C HA -0.116 4.343 4.460 -0.001 0.000 0.268 170 C C 1.110 175.610 174.990 -0.818 0.000 1.343 170 C CA -0.762 57.231 59.018 -1.708 0.000 1.742 170 C CB -2.806 24.439 27.740 -0.826 0.000 1.450 170 C HN 0.750 nan 8.230 nan 0.000 0.733 171 A N 1.105 123.625 122.820 -0.501 0.000 2.354 171 A HA 0.580 4.900 4.320 -0.001 0.000 0.281 171 A C 0.739 178.218 177.584 -0.175 0.000 1.174 171 A CA 1.028 52.927 52.037 -0.230 0.000 0.828 171 A CB 0.211 19.141 19.000 -0.116 0.000 1.099 171 A HN 1.366 nan 8.150 nan 0.000 0.516 172 T N 1.608 116.080 114.554 -0.136 0.000 3.410 172 T HA 0.518 4.867 4.350 -0.001 0.000 0.328 172 T C -2.755 171.885 174.700 -0.100 0.000 1.567 172 T CA -1.490 60.566 62.100 -0.074 0.000 1.626 172 T CB 0.637 69.497 68.868 -0.013 0.000 0.939 172 T HN 0.449 nan 8.240 nan 0.000 0.656 173 P HA 0.387 nan 4.420 nan 0.000 0.277 173 P C -0.153 176.991 177.300 -0.260 0.000 1.240 173 P CA -0.641 62.346 63.100 -0.188 0.000 0.798 173 P CB 1.197 32.749 31.700 -0.245 0.000 0.979 174 R N 0.903 121.165 120.500 -0.397 0.000 2.615 174 R HA 0.381 4.720 4.340 -0.001 0.000 0.270 174 R C 0.071 176.235 176.300 -0.225 0.000 1.081 174 R CA -0.385 55.276 56.100 -0.732 0.000 1.154 174 R CB 0.174 29.933 30.300 -0.900 0.000 1.063 174 R HN 0.381 nan 8.270 nan 0.000 0.519 175 F N 1.866 121.573 119.950 -0.404 0.000 2.396 175 F HA 0.065 4.591 4.527 -0.001 0.000 0.343 175 F C 0.910 176.529 175.800 -0.302 0.000 1.104 175 F CA -1.517 56.286 58.000 -0.329 0.000 1.161 175 F CB 0.444 39.246 39.000 -0.329 0.000 1.146 175 F HN 0.545 nan 8.300 nan 0.000 0.522 176 D N 2.461 122.788 120.400 -0.121 0.000 2.414 176 D HA 0.135 4.775 4.640 -0.001 0.000 0.251 176 D C 1.026 177.246 176.300 -0.134 0.000 1.252 176 D CA -0.408 53.528 54.000 -0.108 0.000 0.999 176 D CB 0.498 41.252 40.800 -0.076 0.000 1.093 176 D HN 0.467 nan 8.370 nan 0.000 0.515 177 R N -0.453 119.993 120.500 -0.091 0.000 2.105 177 R HA -0.136 4.203 4.340 -0.001 0.000 0.239 177 R C 2.047 178.295 176.300 -0.087 0.000 1.135 177 R CA 1.302 57.352 56.100 -0.083 0.000 0.967 177 R CB -0.248 30.039 30.300 -0.023 0.000 0.861 177 R HN 0.613 nan 8.270 nan 0.000 0.442 178 E N 0.607 120.755 120.200 -0.086 0.000 2.209 178 E HA -0.215 4.134 4.350 -0.001 0.000 0.196 178 E C 1.608 178.104 176.600 -0.173 0.000 0.993 178 E CA 1.149 57.505 56.400 -0.073 0.000 0.819 178 E CB 0.172 29.872 29.700 -0.001 0.000 0.745 178 E HN 0.432 nan 8.360 nan 0.000 0.477 179 Q N -0.662 118.943 119.800 -0.325 0.000 2.319 179 Q HA 0.114 4.453 4.340 -0.001 0.000 0.209 179 Q C 0.450 176.329 176.000 -0.201 0.000 0.884 179 Q CA -0.092 55.436 55.803 -0.458 0.000 0.938 179 Q CB 0.724 28.874 28.738 -0.980 0.000 1.098 179 Q HN -0.073 nan 8.270 nan 0.000 0.517 180 R N 2.166 122.596 120.500 -0.115 0.000 2.393 180 R HA 0.305 4.644 4.340 -0.001 0.000 0.310 180 R C -2.558 173.712 176.300 -0.050 0.000 0.968 180 R CA -2.111 53.920 56.100 -0.116 0.000 0.867 180 R CB 1.049 31.101 30.300 -0.414 0.000 1.124 180 R HN -0.121 nan 8.270 nan 0.000 0.450 181 P HA 0.027 nan 4.420 nan 0.000 0.272 181 P C -0.514 176.954 177.300 0.280 0.000 1.223 181 P CA -0.073 63.115 63.100 0.146 0.000 0.784 181 P CB 0.731 32.529 31.700 0.163 0.000 0.923 182 L N 2.658 124.016 121.223 0.224 0.000 2.380 182 L HA 0.148 4.488 4.340 -0.001 0.000 0.273 182 L C 1.722 178.758 176.870 0.277 0.000 1.138 182 L CA -0.170 54.870 54.840 0.334 0.000 0.832 182 L CB 0.285 42.589 42.059 0.408 0.000 1.124 182 L HN 0.380 nan 8.230 nan 0.000 0.454 183 L N 3.282 124.704 121.223 0.333 0.000 2.642 183 L HA 0.224 4.563 4.340 -0.001 0.000 0.233 183 L C -0.319 176.726 176.870 0.293 0.000 1.077 183 L CA 0.198 55.118 54.840 0.134 0.000 0.879 183 L CB 0.863 42.797 42.059 -0.207 0.000 1.151 183 L HN 0.316 nan 8.230 nan 0.000 0.495 184 V N 1.240 121.342 119.914 0.313 0.000 2.525 184 V HA 0.213 4.332 4.120 -0.001 0.000 0.299 184 V C -0.455 175.736 176.094 0.160 0.000 1.034 184 V CA -0.991 61.426 62.300 0.195 0.000 0.863 184 V CB 1.782 33.666 31.823 0.102 0.000 0.999 184 V HN 0.187 nan 8.190 nan 0.000 0.423 185 K N 2.404 122.778 120.400 -0.044 0.000 2.118 185 K HA 0.521 4.840 4.320 -0.001 0.000 0.264 185 K C -0.361 176.204 176.600 -0.058 0.000 1.000 185 K CA -0.498 55.718 56.287 -0.118 0.000 0.929 185 K CB 0.732 32.960 32.500 -0.453 0.000 1.021 185 K HN 0.567 nan 8.250 nan 0.000 0.463 186 D N 0.664 121.053 120.400 -0.019 0.000 2.800 186 D HA -0.158 4.481 4.640 -0.001 0.000 0.232 186 D C -0.868 175.437 176.300 0.009 0.000 1.137 186 D CA 1.461 55.456 54.000 -0.008 0.000 0.718 186 D CB -0.933 39.848 40.800 -0.032 0.000 1.084 186 D HN 0.817 nan 8.370 nan 0.000 0.432 187 D N -1.567 118.852 120.400 0.031 0.000 2.684 187 D HA 0.323 4.962 4.640 -0.001 0.000 0.233 187 D C 0.867 177.204 176.300 0.062 0.000 1.374 187 D CA 0.258 54.281 54.000 0.038 0.000 0.906 187 D CB 0.074 40.891 40.800 0.028 0.000 1.526 187 D HN 0.013 nan 8.370 nan 0.000 0.518 188 A N 1.768 124.627 122.820 0.064 0.000 1.972 188 A HA -0.151 4.169 4.320 -0.001 0.000 0.219 188 A C 1.680 179.314 177.584 0.083 0.000 1.169 188 A CA 1.444 53.530 52.037 0.081 0.000 0.635 188 A CB 0.001 19.040 19.000 0.065 0.000 0.810 188 A HN 0.420 nan 8.150 nan 0.000 0.446 189 D N 0.076 120.514 120.400 0.064 0.000 2.117 189 D HA -0.025 4.614 4.640 -0.001 0.000 0.198 189 D C 2.243 178.584 176.300 0.067 0.000 0.982 189 D CA 1.537 55.574 54.000 0.060 0.000 0.828 189 D CB -0.420 40.407 40.800 0.044 0.000 0.967 189 D HN 0.416 nan 8.370 nan 0.000 0.464 190 A N 0.709 123.565 122.820 0.060 0.000 1.930 190 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 190 A C 1.942 179.571 177.584 0.076 0.000 1.175 190 A CA 1.909 53.978 52.037 0.054 0.000 0.627 190 A CB -0.573 18.450 19.000 0.038 0.000 0.815 190 A HN 0.184 nan 8.150 nan 0.000 0.443 191 D N -0.097 120.372 120.400 0.115 0.000 2.097 191 D HA -0.173 4.467 4.640 -0.001 0.000 0.195 191 D C 1.277 177.742 176.300 0.275 0.000 0.989 191 D CA 1.640 55.755 54.000 0.191 0.000 0.827 191 D CB -0.155 40.788 40.800 0.238 0.000 0.966 191 D HN 0.343 nan 8.370 nan 0.000 0.456 192 D N -0.100 120.432 120.400 0.221 0.000 2.106 192 D HA -0.187 4.452 4.640 -0.001 0.000 0.191 192 D C 2.004 178.418 176.300 0.189 0.000 0.997 192 D CA 1.772 55.899 54.000 0.212 0.000 0.834 192 D CB -0.704 40.174 40.800 0.131 0.000 0.956 192 D HN 0.349 nan 8.370 nan 0.000 0.448 193 A N 0.393 123.283 122.820 0.117 0.000 1.933 193 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 193 A C 2.134 179.748 177.584 0.050 0.000 1.175 193 A CA 1.997 54.080 52.037 0.076 0.000 0.628 193 A CB -0.526 18.501 19.000 0.045 0.000 0.814 193 A HN 0.237 nan 8.150 nan 0.000 0.444 194 E N -0.994 119.215 120.200 0.015 0.000 2.047 194 E HA -0.180 4.169 4.350 -0.001 0.000 0.191 194 E C 1.687 178.183 176.600 -0.173 0.000 0.987 194 E CA 1.361 57.694 56.400 -0.112 0.000 0.799 194 E CB -0.467 29.119 29.700 -0.190 0.000 0.752 194 E HN 0.705 nan 8.360 nan 0.000 0.449 195 W N 0.929 122.193 121.300 -0.059 0.000 2.338 195 W HA -0.165 4.494 4.660 -0.001 0.000 0.304 195 W C 2.197 178.704 176.519 -0.019 0.000 1.212 195 W CA 1.335 58.610 57.345 -0.118 0.000 1.264 195 W CB -0.436 29.005 29.460 -0.031 0.000 1.142 195 W HN 0.260 nan 8.180 nan 0.000 0.512 196 D N -0.081 120.495 120.400 0.292 0.000 2.097 196 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 196 D C 2.154 178.529 176.300 0.126 0.000 0.989 196 D CA 1.567 55.704 54.000 0.228 0.000 0.827 196 D CB -0.275 40.614 40.800 0.149 0.000 0.966 196 D HN -0.033 nan 8.370 nan 0.000 0.456 197 R N -0.345 120.179 120.500 0.040 0.000 2.081 197 R HA -0.087 4.253 4.340 -0.001 0.000 0.235 197 R C 2.412 178.671 176.300 -0.068 0.000 1.131 197 R CA 1.078 57.164 56.100 -0.022 0.000 0.960 197 R CB -0.253 30.014 30.300 -0.056 0.000 0.856 197 R HN 0.273 nan 8.270 nan 0.000 0.436 198 L N -0.737 120.409 121.223 -0.128 0.000 2.072 198 L HA -0.135 4.204 4.340 -0.001 0.000 0.205 198 L C 2.247 179.041 176.870 -0.127 0.000 1.079 198 L CA 0.938 55.645 54.840 -0.223 0.000 0.752 198 L CB -0.539 41.270 42.059 -0.418 0.000 0.906 198 L HN 0.171 nan 8.230 nan 0.000 0.436 199 Y N 0.487 120.789 120.300 0.004 0.000 2.181 199 Y HA -0.234 4.315 4.550 -0.001 0.000 0.288 199 Y C 2.876 178.755 175.900 -0.034 0.000 1.146 199 Y CA 1.521 59.632 58.100 0.018 0.000 1.164 199 Y CB -1.102 37.403 38.460 0.075 0.000 0.982 199 Y HN 0.129 nan 8.280 nan 0.000 0.515 200 T N -0.308 114.324 114.554 0.130 0.000 2.720 200 T HA -0.219 4.130 4.350 -0.001 0.000 0.268 200 T C 1.998 176.665 174.700 -0.054 0.000 1.037 200 T CA 1.705 63.827 62.100 0.038 0.000 1.144 200 T CB -0.164 68.718 68.868 0.023 0.000 0.864 200 T HN 0.229 nan 8.240 nan 0.000 0.444 201 K N 0.692 121.004 120.400 -0.148 0.000 2.057 201 K HA 0.035 4.355 4.320 -0.001 0.000 0.206 201 K C 2.538 178.805 176.600 -0.554 0.000 1.050 201 K CA 1.054 57.124 56.287 -0.362 0.000 0.935 201 K CB -0.254 31.988 32.500 -0.431 0.000 0.715 201 K HN 0.275 nan 8.250 nan 0.000 0.439 202 A N 1.239 123.852 122.820 -0.345 0.000 1.933 202 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 202 A C 1.785 179.373 177.584 0.008 0.000 1.175 202 A CA 1.596 53.496 52.037 -0.229 0.000 0.628 202 A CB -0.409 18.581 19.000 -0.016 0.000 0.814 202 A HN 0.420 nan 8.150 nan 0.000 0.444 203 E N 0.276 120.519 120.200 0.072 0.000 2.110 203 E HA -0.168 4.182 4.350 -0.001 0.000 0.193 203 E C 2.381 179.058 176.600 0.129 0.000 0.988 203 E CA 1.514 58.001 56.400 0.145 0.000 0.804 203 E CB -0.187 29.572 29.700 0.098 0.000 0.745 203 E HN 0.819 nan 8.360 nan 0.000 0.458 204 S N 0.183 115.906 115.700 0.039 0.000 2.382 204 S HA -0.183 4.286 4.470 -0.001 0.000 0.228 204 S C 1.917 176.651 174.600 0.224 0.000 1.027 204 S CA 0.787 59.040 58.200 0.089 0.000 0.991 204 S CB -0.464 62.764 63.200 0.046 0.000 0.823 204 S HN 0.208 nan 8.310 nan 0.000 0.469 205 Y N 0.533 120.841 120.300 0.014 0.000 2.242 205 Y HA 0.157 4.706 4.550 -0.001 0.000 0.291 205 Y C 2.000 177.914 175.900 0.022 0.000 1.137 205 Y CA -0.230 57.842 58.100 -0.048 0.000 1.181 205 Y CB -1.072 37.273 38.460 -0.192 0.000 0.989 205 Y HN 0.297 nan 8.280 nan 0.000 0.527 206 F N 0.388 120.496 119.950 0.263 0.000 2.789 206 F HA 0.042 4.569 4.527 -0.001 0.000 0.300 206 F C 0.808 176.722 175.800 0.191 0.000 1.132 206 F CA 0.063 58.210 58.000 0.245 0.000 1.404 206 F CB -0.367 38.797 39.000 0.273 0.000 1.114 206 F HN 0.002 nan 8.300 nan 0.000 0.584 207 Q N 0.530 120.527 119.800 0.327 0.000 2.451 207 Q HA -0.203 4.136 4.340 -0.001 0.000 0.305 207 Q C 0.077 176.170 176.000 0.155 0.000 1.345 207 Q CA 0.817 56.737 55.803 0.196 0.000 0.854 207 Q CB -2.674 26.154 28.738 0.152 0.000 1.162 207 Q HN 0.223 nan 8.270 nan 0.000 0.440 208 T N 0.028 114.688 114.554 0.177 0.000 2.902 208 T HA 0.399 4.748 4.350 -0.001 0.000 0.301 208 T C 0.832 175.563 174.700 0.052 0.000 1.012 208 T CA 0.595 62.757 62.100 0.103 0.000 1.151 208 T CB 1.209 70.146 68.868 0.115 0.000 0.946 208 T HN 0.506 nan 8.240 nan 0.000 0.542 209 G N 0.813 109.626 108.800 0.023 0.000 2.727 209 G HA2 0.580 4.539 3.960 -0.001 0.000 0.289 209 G HA3 0.580 4.539 3.960 -0.001 0.000 0.289 209 G C 0.058 174.964 174.900 0.010 0.000 1.418 209 G CA -0.487 44.618 45.100 0.009 0.000 0.818 209 G HN 0.620 nan 8.290 nan 0.000 0.486 210 T N -2.580 111.980 114.554 0.010 0.000 3.337 210 T HA 0.255 4.604 4.350 -0.001 0.000 0.299 210 T C 0.120 174.833 174.700 0.022 0.000 0.998 210 T CA 0.576 62.691 62.100 0.027 0.000 0.948 210 T CB 0.402 69.290 68.868 0.034 0.000 1.170 210 T HN 0.530 nan 8.240 nan 0.000 0.508 211 D N 0.453 120.847 120.400 -0.010 0.000 2.520 211 D HA 0.056 4.696 4.640 -0.001 0.000 0.223 211 D C 1.218 177.453 176.300 -0.108 0.000 1.186 211 D CA -0.090 53.885 54.000 -0.042 0.000 0.821 211 D CB 0.008 40.781 40.800 -0.045 0.000 1.072 211 D HN 0.251 nan 8.370 nan 0.000 0.518 212 Q N -0.412 119.322 119.800 -0.110 0.000 2.364 212 Q HA 0.136 4.475 4.340 -0.001 0.000 0.207 212 Q C 0.313 175.958 176.000 -0.591 0.000 0.970 212 Q CA 0.936 56.552 55.803 -0.312 0.000 0.888 212 Q CB -0.265 28.274 28.738 -0.331 0.000 0.951 212 Q HN 0.283 nan 8.270 nan 0.000 0.469 213 F N -0.005 119.777 119.950 -0.281 0.000 2.698 213 F HA 0.228 4.754 4.527 -0.001 0.000 0.304 213 F C 1.282 176.875 175.800 -0.346 0.000 1.108 213 F CA -0.563 57.229 58.000 -0.347 0.000 1.263 213 F CB 0.311 39.031 39.000 -0.466 0.000 1.013 213 F HN -0.003 nan 8.300 nan 0.000 0.532 214 K N 0.490 120.789 120.400 -0.168 0.000 2.211 214 K HA -0.151 4.168 4.320 -0.001 0.000 0.204 214 K C 0.637 177.132 176.600 -0.175 0.000 1.047 214 K CA 1.799 58.032 56.287 -0.090 0.000 0.935 214 K CB -0.200 32.237 32.500 -0.105 0.000 0.728 214 K HN 0.338 nan 8.250 nan 0.000 0.452 215 E N 1.608 121.579 120.200 -0.382 0.000 2.569 215 E HA 0.052 4.401 4.350 -0.001 0.000 0.205 215 E C -0.712 175.694 176.600 -0.324 0.000 1.006 215 E CA -0.328 55.575 56.400 -0.828 0.000 0.985 215 E CB 1.025 30.093 29.700 -1.054 0.000 1.060 215 E HN 0.251 nan 8.360 nan 0.000 0.460 216 S N 0.521 116.197 115.700 -0.040 0.000 2.528 216 S HA 0.148 4.617 4.470 -0.001 0.000 0.277 216 S C 1.187 175.872 174.600 0.141 0.000 1.297 216 S CA -0.413 57.830 58.200 0.072 0.000 1.052 216 S CB 0.564 63.867 63.200 0.173 0.000 0.917 216 S HN 0.200 nan 8.310 nan 0.000 0.492 217 I N 4.607 125.144 120.570 -0.055 0.000 2.179 217 I HA -0.148 4.022 4.170 -0.001 0.000 0.242 217 I C 2.759 178.705 176.117 -0.285 0.000 1.088 217 I CA 1.276 62.291 61.300 -0.476 0.000 1.357 217 I CB -0.181 37.273 38.000 -0.910 0.000 1.051 217 I HN 0.705 nan 8.210 nan 0.000 0.409 218 R N -0.760 119.666 120.500 -0.123 0.000 2.092 218 R HA -0.203 4.136 4.340 -0.001 0.000 0.231 218 R C 2.334 178.669 176.300 0.059 0.000 1.119 218 R CA 1.503 57.580 56.100 -0.039 0.000 0.970 218 R CB -0.599 29.691 30.300 -0.017 0.000 0.864 218 R HN 0.428 nan 8.270 nan 0.000 0.440 219 H N 1.282 120.377 119.070 0.043 0.000 2.290 219 H HA -0.068 4.487 4.556 -0.001 0.000 0.298 219 H C 1.775 177.187 175.328 0.141 0.000 1.087 219 H CA 2.011 58.110 56.048 0.084 0.000 1.291 219 H CB -0.101 29.738 29.762 0.130 0.000 1.369 219 H HN 0.119 nan 8.280 nan 0.000 0.492 220 N N 0.055 118.884 118.700 0.216 0.000 2.188 220 N HA -0.129 4.611 4.740 -0.001 0.000 0.184 220 N C 2.066 177.748 175.510 0.286 0.000 1.018 220 N CA 1.028 54.249 53.050 0.285 0.000 0.858 220 N CB -0.214 38.663 38.487 0.649 0.000 0.989 220 N HN 0.311 nan 8.380 nan 0.000 0.426 221 L N 1.380 122.798 121.223 0.324 0.000 2.012 221 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 221 L C 2.126 179.065 176.870 0.116 0.000 1.073 221 L CA 1.388 56.410 54.840 0.303 0.000 0.748 221 L CB -0.485 41.703 42.059 0.214 0.000 0.891 221 L HN -0.122 nan 8.230 nan 0.000 0.431 222 V N -0.855 119.076 119.914 0.029 0.000 2.283 222 V HA -0.238 3.881 4.120 -0.001 0.000 0.243 222 V C 2.427 178.454 176.094 -0.113 0.000 1.039 222 V CA 1.532 63.811 62.300 -0.035 0.000 1.016 222 V CB -0.669 31.110 31.823 -0.075 0.000 0.650 222 V HN 0.502 nan 8.190 nan 0.000 0.449 223 L N 1.146 122.267 121.223 -0.169 0.000 1.997 223 L HA -0.239 4.100 4.340 -0.001 0.000 0.216 223 L C 2.213 179.021 176.870 -0.103 0.000 1.074 223 L CA 2.275 57.009 54.840 -0.177 0.000 0.763 223 L CB -0.938 40.975 42.059 -0.243 0.000 0.890 223 L HN 0.338 nan 8.230 nan 0.000 0.434 224 N N -0.434 118.253 118.700 -0.022 0.000 2.142 224 N HA -0.182 4.557 4.740 -0.001 0.000 0.186 224 N C 1.837 177.329 175.510 -0.030 0.000 1.023 224 N CA 1.215 54.266 53.050 0.002 0.000 0.852 224 N CB -0.348 38.164 38.487 0.040 0.000 0.998 224 N HN 0.259 nan 8.380 nan 0.000 0.424 225 K N 1.514 121.896 120.400 -0.029 0.000 2.026 225 K HA 0.045 4.364 4.320 -0.001 0.000 0.208 225 K C 1.952 178.502 176.600 -0.084 0.000 1.048 225 K CA 1.002 57.269 56.287 -0.034 0.000 0.929 225 K CB -0.589 31.911 32.500 -0.000 0.000 0.713 225 K HN 0.135 nan 8.250 nan 0.000 0.439 226 L N 0.057 121.156 121.223 -0.207 0.000 2.083 226 L HA -0.170 4.170 4.340 -0.001 0.000 0.209 226 L C 2.268 178.930 176.870 -0.347 0.000 1.083 226 L CA 1.674 56.258 54.840 -0.428 0.000 0.752 226 L CB -0.884 40.505 42.059 -1.117 0.000 0.899 226 L HN 0.240 nan 8.230 nan 0.000 0.433 227 T N -0.599 113.816 114.554 -0.232 0.000 2.635 227 T HA -0.293 4.056 4.350 -0.001 0.000 0.267 227 T C 1.776 176.529 174.700 0.088 0.000 1.040 227 T CA 1.970 64.103 62.100 0.055 0.000 1.156 227 T CB -0.178 68.733 68.868 0.071 0.000 0.863 227 T HN 0.424 nan 8.240 nan 0.000 0.430 228 E N 0.641 120.853 120.200 0.021 0.000 2.038 228 E HA -0.195 4.154 4.350 -0.001 0.000 0.195 228 E C 2.216 178.817 176.600 0.001 0.000 1.000 228 E CA 1.149 57.555 56.400 0.010 0.000 0.803 228 E CB -0.008 29.681 29.700 -0.019 0.000 0.750 228 E HN 0.384 nan 8.360 nan 0.000 0.448 229 E N -0.454 119.733 120.200 -0.022 0.000 2.153 229 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 229 E C 0.925 177.373 176.600 -0.253 0.000 0.988 229 E CA 1.016 57.334 56.400 -0.138 0.000 0.811 229 E CB -0.041 29.556 29.700 -0.171 0.000 0.746 229 E HN 0.501 nan 8.360 nan 0.000 0.466 230 Y N 0.361 120.697 120.300 0.059 0.000 2.681 230 Y HA 0.174 4.724 4.550 -0.001 0.000 0.267 230 Y C 0.634 176.601 175.900 0.111 0.000 1.166 230 Y CA -0.372 57.804 58.100 0.127 0.000 1.209 230 Y CB 0.399 39.038 38.460 0.299 0.000 1.161 230 Y HN -0.267 nan 8.280 nan 0.000 0.534 231 K N 0.632 121.123 120.400 0.152 0.000 2.451 231 K HA 0.184 4.504 4.320 -0.001 0.000 0.280 231 K C 1.188 177.849 176.600 0.102 0.000 1.020 231 K CA 1.283 57.642 56.287 0.121 0.000 1.008 231 K CB 0.133 32.671 32.500 0.063 0.000 0.917 231 K HN 0.633 nan 8.250 nan 0.000 0.478 232 G N 3.247 112.109 108.800 0.103 0.000 2.205 232 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.261 232 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.261 232 G C 0.662 175.617 174.900 0.093 0.000 0.980 232 G CA 0.689 45.837 45.100 0.079 0.000 0.632 232 G HN 0.723 nan 8.290 nan 0.000 0.533 233 Q N -1.090 118.794 119.800 0.139 0.000 2.532 233 Q HA 0.312 4.651 4.340 -0.001 0.000 0.247 233 Q C 1.189 177.279 176.000 0.150 0.000 0.872 233 Q CA 0.328 56.225 55.803 0.156 0.000 0.963 233 Q CB 0.823 29.688 28.738 0.211 0.000 1.159 233 Q HN 0.524 nan 8.270 nan 0.000 0.598 234 R N 0.262 120.863 120.500 0.169 0.000 2.739 234 R HA 0.413 4.752 4.340 -0.001 0.000 0.271 234 R C -1.605 174.702 176.300 0.011 0.000 1.010 234 R CA -0.789 55.312 56.100 0.002 0.000 0.897 234 R CB 1.535 31.632 30.300 -0.338 0.000 1.236 234 R HN -0.069 nan 8.270 nan 0.000 0.466 235 D N 1.022 121.342 120.400 -0.133 0.000 2.185 235 D HA 0.411 5.050 4.640 -0.001 0.000 0.247 235 D C -0.850 175.265 176.300 -0.307 0.000 1.027 235 D CA -0.022 53.944 54.000 -0.057 0.000 0.861 235 D CB 1.383 42.168 40.800 -0.026 0.000 1.202 235 D HN 0.137 nan 8.370 nan 0.000 0.453 236 F N 0.852 120.802 119.950 0.000 0.000 2.538 236 F HA 0.392 4.918 4.527 -0.001 0.000 0.325 236 F C 0.702 176.512 175.800 0.016 0.000 1.066 236 F CA -0.549 57.444 58.000 -0.012 0.000 0.946 236 F CB 1.777 40.764 39.000 -0.020 0.000 1.199 236 F HN 0.216 nan 8.300 nan 0.000 0.473 237 Q N 0.063 119.964 119.800 0.169 0.000 2.737 237 Q HA 0.339 4.678 4.340 -0.001 0.000 0.307 237 Q C -1.571 174.537 176.000 0.180 0.000 0.905 237 Q CA -1.286 54.607 55.803 0.149 0.000 0.753 237 Q CB 1.693 30.484 28.738 0.088 0.000 1.463 237 Q HN 0.611 nan 8.270 nan 0.000 0.455 238 Q N 0.835 120.761 119.800 0.209 0.000 2.352 238 Q HA 0.249 4.588 4.340 -0.001 0.000 0.260 238 Q C -0.544 175.518 176.000 0.103 0.000 0.976 238 Q CA -0.243 55.690 55.803 0.218 0.000 0.881 238 Q CB 0.543 29.370 28.738 0.149 0.000 1.235 238 Q HN 0.566 nan 8.270 nan 0.000 0.419 239 I N 6.380 126.989 120.570 0.064 0.000 2.741 239 I HA -0.056 4.113 4.170 -0.001 0.000 0.288 239 I C -1.984 174.140 176.117 0.011 0.000 1.192 239 I CA -1.350 59.962 61.300 0.019 0.000 1.426 239 I CB 0.132 38.111 38.000 -0.035 0.000 1.367 239 I HN 0.432 nan 8.210 nan 0.000 0.563 240 P HA 0.169 nan 4.420 nan 0.000 0.265 240 P C -0.863 176.421 177.300 -0.027 0.000 1.222 240 P CA 0.276 63.370 63.100 -0.011 0.000 0.767 240 P CB 0.372 32.052 31.700 -0.033 0.000 0.801 241 L N 2.566 123.785 121.223 -0.006 0.000 2.346 241 L HA 0.642 4.981 4.340 -0.001 0.000 0.274 241 L C 0.416 177.274 176.870 -0.021 0.000 1.007 241 L CA -1.155 53.678 54.840 -0.010 0.000 0.818 241 L CB 2.012 44.133 42.059 0.103 0.000 1.284 241 L HN 0.228 nan 8.230 nan 0.000 0.424 242 A N 3.038 125.809 122.820 -0.082 0.000 2.666 242 A HA 0.751 5.070 4.320 -0.001 0.000 0.312 242 A C -0.020 177.585 177.584 0.035 0.000 1.471 242 A CA 0.052 52.087 52.037 -0.003 0.000 1.134 242 A CB -0.355 18.587 19.000 -0.098 0.000 1.129 242 A HN 0.779 nan 8.150 nan 0.000 0.539 243 A N 1.823 124.630 122.820 -0.021 0.000 2.599 243 A HA 0.751 5.070 4.320 -0.001 0.000 0.294 243 A C -0.504 176.962 177.584 -0.197 0.000 1.055 243 A CA -0.467 51.455 52.037 -0.192 0.000 0.683 243 A CB 0.819 19.523 19.000 -0.493 0.000 1.278 243 A HN 0.628 nan 8.150 nan 0.000 0.412 244 T N 1.272 115.682 114.554 -0.239 0.000 2.841 244 T HA 0.519 4.869 4.350 -0.001 0.000 0.285 244 T C -0.087 174.461 174.700 -0.253 0.000 0.991 244 T CA -0.446 61.542 62.100 -0.188 0.000 0.966 244 T CB 1.340 70.155 68.868 -0.088 0.000 0.962 244 T HN 0.739 nan 8.240 nan 0.000 0.438 245 R N 2.045 122.387 120.500 -0.263 0.000 2.389 245 R HA 0.289 4.628 4.340 -0.001 0.000 0.295 245 R C 0.731 176.946 176.300 -0.141 0.000 1.075 245 R CA -0.403 55.532 56.100 -0.276 0.000 1.005 245 R CB 0.392 30.501 30.300 -0.318 0.000 0.987 245 R HN 0.374 nan 8.270 nan 0.000 0.452 246 R N 1.034 121.502 120.500 -0.053 0.000 2.307 246 R HA 0.154 4.494 4.340 -0.001 0.000 0.200 246 R C -0.028 176.257 176.300 -0.026 0.000 0.893 246 R CA 0.598 56.693 56.100 -0.008 0.000 1.042 246 R CB 0.373 30.712 30.300 0.066 0.000 1.059 246 R HN 0.792 nan 8.270 nan 0.000 0.530 247 S N -1.852 113.837 115.700 -0.018 0.000 2.643 247 S HA 0.293 4.763 4.470 -0.001 0.000 0.266 247 S C -2.678 171.891 174.600 -0.051 0.000 1.130 247 S CA -0.938 57.244 58.200 -0.030 0.000 0.817 247 S CB 1.681 64.882 63.200 0.000 0.000 1.107 247 S HN -0.251 nan 8.310 nan 0.000 0.471 248 P HA -0.002 nan 4.420 nan 0.000 0.220 248 P C 1.032 178.303 177.300 -0.048 0.000 1.144 248 P CA 2.046 65.105 63.100 -0.068 0.000 0.800 248 P CB -0.154 31.524 31.700 -0.037 0.000 0.772 249 T N -7.165 107.396 114.554 0.013 0.000 3.091 249 T HA 0.279 4.628 4.350 -0.001 0.000 0.277 249 T C -0.206 174.550 174.700 0.093 0.000 0.996 249 T CA -0.330 61.796 62.100 0.044 0.000 0.897 249 T CB -0.532 68.382 68.868 0.076 0.000 1.109 249 T HN -0.143 nan 8.240 nan 0.000 0.534 250 F N 1.671 121.561 119.950 -0.099 0.000 2.536 250 F HA 0.668 5.194 4.527 -0.001 0.000 0.322 250 F C -1.366 174.308 175.800 -0.211 0.000 1.144 250 F CA -1.079 56.858 58.000 -0.105 0.000 0.924 250 F CB 1.990 40.945 39.000 -0.075 0.000 1.181 250 F HN -0.119 nan 8.300 nan 0.000 0.438 251 V N 5.259 124.810 119.914 -0.604 0.000 2.409 251 V HA 0.255 4.375 4.120 -0.001 0.000 0.291 251 V C -0.403 175.188 176.094 -0.838 0.000 1.020 251 V CA -0.855 61.018 62.300 -0.712 0.000 0.848 251 V CB 1.659 32.876 31.823 -1.009 0.000 0.990 251 V HN 0.709 nan 8.190 nan 0.000 0.430 252 E N 4.842 124.797 120.200 -0.409 0.000 1.996 252 E HA 0.149 4.498 4.350 -0.001 0.000 0.280 252 E C -1.005 175.408 176.600 -0.311 0.000 1.092 252 E CA -0.555 55.747 56.400 -0.163 0.000 0.862 252 E CB 0.414 30.163 29.700 0.082 0.000 1.066 252 E HN 0.621 nan 8.360 nan 0.000 0.396 253 W N 3.165 124.365 121.300 -0.165 0.000 2.216 253 W HA 0.121 4.781 4.660 -0.001 0.000 0.326 253 W C 0.660 177.201 176.519 0.036 0.000 1.319 253 W CA -0.524 56.697 57.345 -0.206 0.000 1.213 253 W CB 0.819 29.901 29.460 -0.629 0.000 1.171 253 W HN 0.326 nan 8.180 nan 0.000 0.557 254 S N 1.663 117.573 115.700 0.349 0.000 2.624 254 S HA 0.610 5.080 4.470 -0.001 0.000 0.263 254 S C 0.151 175.195 174.600 0.740 0.000 1.287 254 S CA -0.538 57.944 58.200 0.471 0.000 0.990 254 S CB 1.037 64.528 63.200 0.485 0.000 0.950 254 S HN 0.515 nan 8.310 nan 0.000 0.561 255 S N -0.382 115.711 115.700 0.655 0.000 2.703 255 S HA 0.685 5.154 4.470 -0.001 0.000 0.273 255 S C 0.831 175.659 174.600 0.380 0.000 1.178 255 S CA -0.371 58.165 58.200 0.559 0.000 0.838 255 S CB 0.507 63.946 63.200 0.399 0.000 1.178 255 S HN 0.731 nan 8.310 nan 0.000 0.494 256 A N 1.800 124.736 122.820 0.193 0.000 1.915 256 A HA -0.268 4.051 4.320 -0.001 0.000 0.220 256 A C 2.014 179.659 177.584 0.100 0.000 1.198 256 A CA 2.442 54.541 52.037 0.104 0.000 0.647 256 A CB -1.691 17.342 19.000 0.055 0.000 0.825 256 A HN 0.884 nan 8.150 nan 0.000 0.456 257 N N -0.780 117.986 118.700 0.110 0.000 2.137 257 N HA -0.172 4.567 4.740 -0.001 0.000 0.190 257 N C 1.589 177.133 175.510 0.058 0.000 1.017 257 N CA 2.170 55.258 53.050 0.063 0.000 0.859 257 N CB -0.280 38.257 38.487 0.082 0.000 1.002 257 N HN 0.517 nan 8.380 nan 0.000 0.428 258 T N 0.366 115.005 114.554 0.142 0.000 2.821 258 T HA -0.046 4.303 4.350 -0.001 0.000 0.267 258 T C 2.063 176.804 174.700 0.069 0.000 1.046 258 T CA 1.031 63.217 62.100 0.142 0.000 1.139 258 T CB -0.145 68.888 68.868 0.274 0.000 0.871 258 T HN 0.060 nan 8.240 nan 0.000 0.454 259 V N -0.454 119.481 119.914 0.036 0.000 2.379 259 V HA 0.177 4.296 4.120 -0.001 0.000 0.245 259 V C 0.456 176.518 176.094 -0.053 0.000 1.044 259 V CA 0.937 63.178 62.300 -0.098 0.000 1.036 259 V CB -0.325 31.392 31.823 -0.177 0.000 0.664 259 V HN 0.478 nan 8.190 nan 0.000 0.453 260 F N 0.909 120.735 119.950 -0.207 0.000 2.622 260 F HA 0.381 4.907 4.527 -0.001 0.000 0.318 260 F C 0.108 175.790 175.800 -0.198 0.000 1.135 260 F CA -1.657 56.191 58.000 -0.253 0.000 1.015 260 F CB 1.425 40.224 39.000 -0.335 0.000 1.275 260 F HN 0.151 nan 8.300 nan 0.000 0.457 261 D N 4.842 124.763 120.400 -0.798 0.000 2.363 261 D HA -0.019 4.620 4.640 -0.001 0.000 0.226 261 D C 1.166 177.178 176.300 -0.480 0.000 1.020 261 D CA 1.016 54.720 54.000 -0.494 0.000 0.892 261 D CB -0.047 40.522 40.800 -0.386 0.000 0.900 261 D HN 0.689 nan 8.370 nan 0.000 0.531 262 L N -2.000 118.753 121.223 -0.784 0.000 4.696 262 L HA -0.235 4.104 4.340 -0.001 0.000 0.425 262 L C -0.240 176.572 176.870 -0.096 0.000 1.115 262 L CA 0.477 55.133 54.840 -0.307 0.000 0.996 262 L CB -1.421 40.631 42.059 -0.012 0.000 2.077 262 L HN 0.206 nan 8.230 nan 0.000 0.792 263 Q N 1.062 120.710 119.800 -0.254 0.000 2.314 263 Q HA 0.235 4.574 4.340 -0.001 0.000 0.258 263 Q C 0.388 176.439 176.000 0.085 0.000 0.954 263 Q CA -0.049 55.703 55.803 -0.086 0.000 0.890 263 Q CB 0.672 29.323 28.738 -0.145 0.000 1.210 263 Q HN 0.123 nan 8.270 nan 0.000 0.410 264 N N 2.068 120.829 118.700 0.100 0.000 2.407 264 N HA 0.018 4.757 4.740 -0.001 0.000 0.250 264 N C -0.251 175.333 175.510 0.124 0.000 1.236 264 N CA 0.551 53.670 53.050 0.116 0.000 0.879 264 N CB 0.520 38.983 38.487 -0.041 0.000 1.088 264 N HN 0.268 nan 8.380 nan 0.000 0.450 265 R N 1.278 121.891 120.500 0.188 0.000 2.795 265 R HA 0.492 4.832 4.340 -0.001 0.000 0.275 265 R C -2.413 173.989 176.300 0.170 0.000 0.981 265 R CA -1.601 54.597 56.100 0.164 0.000 0.917 265 R CB 1.980 32.408 30.300 0.215 0.000 1.202 265 R HN 0.390 nan 8.270 nan 0.000 0.469 266 P HA 0.092 nan 4.420 nan 0.000 0.272 266 P C -1.319 176.033 177.300 0.086 0.000 1.223 266 P CA -0.192 62.995 63.100 0.144 0.000 0.784 266 P CB 0.649 32.476 31.700 0.211 0.000 0.923 267 N N -1.329 117.402 118.700 0.052 0.000 3.204 267 N HA 0.225 4.964 4.740 -0.001 0.000 0.285 267 N C 0.593 176.109 175.510 0.010 0.000 1.536 267 N CA -0.707 52.358 53.050 0.025 0.000 0.832 267 N CB -0.614 37.876 38.487 0.006 0.000 1.645 267 N HN 0.052 nan 8.380 nan 0.000 0.586 268 T N -0.695 113.858 114.554 -0.001 0.000 2.788 268 T HA -0.075 4.274 4.350 -0.001 0.000 0.268 268 T C 0.284 174.974 174.700 -0.016 0.000 1.044 268 T CA 1.522 63.618 62.100 -0.006 0.000 1.139 268 T CB -0.456 68.407 68.868 -0.009 0.000 0.867 268 T HN 0.477 nan 8.240 nan 0.000 0.454 269 D N 0.679 121.064 120.400 -0.024 0.000 2.323 269 D HA 0.186 4.825 4.640 -0.001 0.000 0.209 269 D C 0.735 177.015 176.300 -0.034 0.000 0.973 269 D CA 0.311 54.291 54.000 -0.033 0.000 0.874 269 D CB 0.254 41.028 40.800 -0.044 0.000 0.930 269 D HN 0.340 nan 8.370 nan 0.000 0.521 270 A N 1.471 124.274 122.820 -0.027 0.000 3.216 270 A HA 0.330 4.649 4.320 -0.001 0.000 0.321 270 A C -1.922 175.649 177.584 -0.022 0.000 1.042 270 A CA -0.912 51.109 52.037 -0.026 0.000 0.838 270 A CB 1.024 20.016 19.000 -0.013 0.000 1.136 270 A HN -0.159 nan 8.150 nan 0.000 0.483 271 P HA -0.096 nan 4.420 nan 0.000 0.223 271 P C 0.505 177.734 177.300 -0.119 0.000 1.151 271 P CA 1.155 64.235 63.100 -0.033 0.000 0.787 271 P CB 0.442 32.123 31.700 -0.032 0.000 0.788 272 E N -0.278 119.786 120.200 -0.227 0.000 2.481 272 E HA 0.130 4.480 4.350 -0.001 0.000 0.198 272 E C 0.332 176.683 176.600 -0.415 0.000 1.027 272 E CA 0.102 56.179 56.400 -0.538 0.000 0.900 272 E CB 0.534 29.986 29.700 -0.414 0.000 0.993 272 E HN 0.490 nan 8.360 nan 0.000 0.482 273 E N 1.176 121.312 120.200 -0.107 0.000 2.248 273 E HA 0.422 4.771 4.350 -0.001 0.000 0.272 273 E C -0.309 176.407 176.600 0.192 0.000 1.008 273 E CA -0.470 55.957 56.400 0.044 0.000 0.856 273 E CB 1.413 31.156 29.700 0.072 0.000 1.120 273 E HN -0.154 nan 8.360 nan 0.000 0.397 274 R N 2.012 122.662 120.500 0.250 0.000 2.451 274 R HA 0.437 4.776 4.340 -0.001 0.000 0.307 274 R C -1.508 174.989 176.300 0.328 0.000 0.965 274 R CA -0.544 55.732 56.100 0.292 0.000 0.865 274 R CB 1.024 31.501 30.300 0.295 0.000 1.174 274 R HN 0.393 nan 8.270 nan 0.000 0.455 275 F N 2.266 122.286 119.950 0.118 0.000 2.604 275 F HA 0.435 4.961 4.527 -0.001 0.000 0.316 275 F C -1.717 174.071 175.800 -0.021 0.000 1.136 275 F CA -0.673 57.369 58.000 0.071 0.000 0.989 275 F CB 1.938 41.039 39.000 0.169 0.000 1.258 275 F HN 0.395 nan 8.300 nan 0.000 0.451 276 N N 4.893 122.983 118.700 -1.017 0.000 2.354 276 N HA 0.574 5.313 4.740 -0.001 0.000 0.287 276 N C -1.914 172.538 175.510 -1.764 0.000 1.016 276 N CA -0.630 51.729 53.050 -1.152 0.000 0.871 276 N CB 2.280 40.335 38.487 -0.721 0.000 1.299 276 N HN 0.603 nan 8.380 nan 0.000 0.482 277 L N 2.605 123.007 121.223 -1.368 0.000 2.289 277 L HA 0.623 4.962 4.340 -0.001 0.000 0.285 277 L C -1.573 174.679 176.870 -1.030 0.000 1.049 277 L CA -0.193 54.087 54.840 -0.935 0.000 0.804 277 L CB 0.138 42.051 42.059 -0.243 0.000 1.195 277 L HN 0.466 nan 8.230 nan 0.000 0.428 278 F N 6.257 125.965 119.950 -0.403 0.000 2.443 278 F HA 0.510 5.036 4.527 -0.001 0.000 0.369 278 F C -2.135 173.608 175.800 -0.094 0.000 1.090 278 F CA -2.071 55.777 58.000 -0.252 0.000 1.129 278 F CB 0.617 39.424 39.000 -0.323 0.000 1.367 278 F HN 0.409 nan 8.300 nan 0.000 0.465 279 P HA 0.257 nan 4.420 nan 0.000 0.274 279 P C 0.140 177.497 177.300 0.095 0.000 1.256 279 P CA -0.105 63.036 63.100 0.067 0.000 0.795 279 P CB 0.970 32.689 31.700 0.031 0.000 1.038 280 A N -0.848 122.012 122.820 0.066 0.000 2.745 280 A HA -0.110 4.209 4.320 -0.001 0.000 0.296 280 A C -0.030 177.587 177.584 0.054 0.000 1.500 280 A CA 0.758 52.826 52.037 0.052 0.000 0.766 280 A CB -2.405 16.624 19.000 0.049 0.000 1.030 280 A HN 0.267 nan 8.150 nan 0.000 0.489 281 V N -0.085 119.880 119.914 0.084 0.000 2.349 281 V HA 0.637 4.757 4.120 -0.001 0.000 0.284 281 V C 0.625 176.732 176.094 0.022 0.000 1.014 281 V CA -0.285 62.070 62.300 0.091 0.000 0.826 281 V CB 1.393 33.380 31.823 0.272 0.000 1.009 281 V HN 1.446 nan 8.190 nan 0.000 0.431 282 A N 4.418 127.216 122.820 -0.037 0.000 2.396 282 A HA 0.432 4.752 4.320 -0.001 0.000 0.279 282 A C 0.217 177.757 177.584 -0.073 0.000 1.165 282 A CA -0.139 51.850 52.037 -0.081 0.000 0.824 282 A CB -0.157 18.831 19.000 -0.021 0.000 1.100 282 A HN 0.854 nan 8.150 nan 0.000 0.516 283 C N 2.658 121.896 119.300 -0.103 0.000 2.435 283 C HA 0.374 4.833 4.460 -0.001 0.000 0.375 283 C C 1.346 176.278 174.990 -0.097 0.000 1.281 283 C CA -0.238 58.706 59.018 -0.125 0.000 1.963 283 C CB -0.165 27.501 27.740 -0.122 0.000 2.490 283 C HN 1.011 nan 8.230 nan 0.000 0.557 284 E N 0.528 120.683 120.200 -0.076 0.000 2.421 284 E HA 0.163 4.512 4.350 -0.001 0.000 0.209 284 E C 0.194 176.788 176.600 -0.010 0.000 0.871 284 E CA 0.250 56.629 56.400 -0.036 0.000 1.064 284 E CB 0.615 30.306 29.700 -0.015 0.000 1.075 284 E HN 0.604 nan 8.360 nan 0.000 0.513 285 R N 0.572 121.079 120.500 0.011 0.000 2.594 285 R HA 0.264 4.603 4.340 -0.001 0.000 0.265 285 R C -1.356 174.940 176.300 -0.008 0.000 1.070 285 R CA -0.522 55.584 56.100 0.009 0.000 0.909 285 R CB 2.392 32.712 30.300 0.034 0.000 1.243 285 R HN -0.087 nan 8.270 nan 0.000 0.455 286 V N -0.104 119.788 119.914 -0.037 0.000 2.472 286 V HA 0.607 4.726 4.120 -0.001 0.000 0.290 286 V C -0.039 176.010 176.094 -0.076 0.000 1.037 286 V CA -0.807 61.437 62.300 -0.093 0.000 0.908 286 V CB 1.734 33.467 31.823 -0.149 0.000 0.985 286 V HN 0.392 nan 8.190 nan 0.000 0.454 287 V N 5.589 125.432 119.914 -0.119 0.000 2.364 287 V HA 0.421 4.540 4.120 -0.001 0.000 0.272 287 V C 0.660 176.716 176.094 -0.063 0.000 1.036 287 V CA -0.377 61.871 62.300 -0.086 0.000 0.880 287 V CB 0.856 32.630 31.823 -0.081 0.000 0.991 287 V HN 0.925 nan 8.190 nan 0.000 0.460 288 R N 4.076 124.557 120.500 -0.032 0.000 2.441 288 R HA 0.274 4.614 4.340 -0.001 0.000 0.284 288 R C 0.385 176.702 176.300 0.028 0.000 1.070 288 R CA -0.551 55.586 56.100 0.061 0.000 1.047 288 R CB 0.614 30.926 30.300 0.019 0.000 1.016 288 R HN 0.857 nan 8.270 nan 0.000 0.477 289 N N 1.653 120.383 118.700 0.050 0.000 2.326 289 N HA -0.029 4.710 4.740 -0.001 0.000 0.239 289 N C 0.543 176.037 175.510 -0.027 0.000 1.301 289 N CA 0.198 53.248 53.050 -0.000 0.000 0.909 289 N CB 0.496 38.980 38.487 -0.005 0.000 1.156 289 N HN 0.578 nan 8.380 nan 0.000 0.462 290 A N 0.485 123.284 122.820 -0.036 0.000 2.019 290 A HA -0.041 4.278 4.320 -0.001 0.000 0.219 290 A C 2.155 179.701 177.584 -0.062 0.000 1.164 290 A CA 0.839 52.849 52.037 -0.045 0.000 0.644 290 A CB -0.718 18.260 19.000 -0.037 0.000 0.805 290 A HN 0.658 nan 8.150 nan 0.000 0.449 291 L N -0.855 120.321 121.223 -0.078 0.000 2.554 291 L HA -0.009 4.330 4.340 -0.001 0.000 0.226 291 L C 0.012 176.773 176.870 -0.183 0.000 1.137 291 L CA -0.039 54.736 54.840 -0.107 0.000 0.863 291 L CB -0.407 41.591 42.059 -0.101 0.000 0.985 291 L HN 0.398 nan 8.230 nan 0.000 0.451 292 N N 0.228 118.804 118.700 -0.207 0.000 2.738 292 N HA -0.176 4.563 4.740 -0.001 0.000 0.249 292 N C 0.833 175.719 175.510 -1.040 0.000 1.047 292 N CA 1.055 53.856 53.050 -0.414 0.000 0.707 292 N CB -1.200 37.184 38.487 -0.171 0.000 0.937 292 N HN 0.537 nan 8.380 nan 0.000 0.545 293 S N -2.188 113.041 115.700 -0.785 0.000 2.687 293 S HA 0.278 4.747 4.470 -0.001 0.000 0.247 293 S C 0.238 174.602 174.600 -0.393 0.000 1.050 293 S CA -0.225 57.583 58.200 -0.655 0.000 1.063 293 S CB 1.602 64.633 63.200 -0.282 0.000 1.039 293 S HN 0.375 nan 8.310 nan 0.000 0.580 294 E N 0.312 120.409 120.200 -0.171 0.000 2.375 294 E HA 0.439 4.788 4.350 -0.001 0.000 0.280 294 E C -1.701 175.083 176.600 0.306 0.000 0.972 294 E CA -0.852 55.650 56.400 0.170 0.000 0.782 294 E CB 1.365 31.123 29.700 0.097 0.000 1.229 294 E HN 0.108 nan 8.360 nan 0.000 0.439 295 I N 3.351 124.050 120.570 0.214 0.000 2.365 295 I HA 0.144 4.313 4.170 -0.001 0.000 0.291 295 I C 0.862 176.878 176.117 -0.169 0.000 1.004 295 I CA 0.029 61.270 61.300 -0.099 0.000 1.311 295 I CB 1.289 38.982 38.000 -0.513 0.000 1.401 295 I HN 0.679 nan 8.210 nan 0.000 0.491 296 E N 3.169 123.282 120.200 -0.144 0.000 2.340 296 E HA 0.082 4.431 4.350 -0.001 0.000 0.198 296 E C 0.367 176.979 176.600 0.020 0.000 0.961 296 E CA 0.368 56.758 56.400 -0.017 0.000 0.905 296 E CB 0.601 30.306 29.700 0.008 0.000 0.884 296 E HN 0.754 nan 8.360 nan 0.000 0.491 297 S N -0.713 114.920 115.700 -0.113 0.000 2.656 297 S HA 0.466 4.935 4.470 -0.001 0.000 0.265 297 S C -1.610 172.993 174.600 0.005 0.000 1.132 297 S CA -1.056 57.191 58.200 0.078 0.000 0.819 297 S CB 1.008 64.279 63.200 0.119 0.000 1.119 297 S HN 0.013 nan 8.310 nan 0.000 0.476 298 L N 1.672 123.006 121.223 0.186 0.000 2.333 298 L HA 0.731 5.070 4.340 -0.001 0.000 0.280 298 L C -1.040 175.867 176.870 0.061 0.000 1.004 298 L CA -0.166 54.728 54.840 0.090 0.000 0.820 298 L CB 1.479 43.612 42.059 0.124 0.000 1.247 298 L HN 0.995 nan 8.230 nan 0.000 0.416 299 H N 5.317 124.342 119.070 -0.074 0.000 2.552 299 H HA 0.586 5.141 4.556 -0.001 0.000 0.311 299 H C -0.535 174.734 175.328 -0.099 0.000 1.071 299 H CA -0.299 55.708 56.048 -0.068 0.000 1.307 299 H CB 0.685 30.412 29.762 -0.058 0.000 1.416 299 H HN 0.673 nan 8.280 nan 0.000 0.464 300 I N 1.430 121.799 120.570 -0.335 0.000 2.910 300 I HA 0.443 4.613 4.170 -0.001 0.000 0.310 300 I C -0.949 175.037 176.117 -0.218 0.000 1.043 300 I CA -0.968 60.164 61.300 -0.281 0.000 1.053 300 I CB 2.526 40.327 38.000 -0.330 0.000 1.242 300 I HN 0.635 nan 8.210 nan 0.000 0.452 301 H N 3.146 122.097 119.070 -0.198 0.000 2.970 301 H HA 0.212 4.767 4.556 -0.001 0.000 0.315 301 H C -1.376 173.935 175.328 -0.028 0.000 0.992 301 H CA -0.696 55.263 56.048 -0.148 0.000 1.363 301 H CB 1.317 31.009 29.762 -0.116 0.000 1.532 301 H HN 0.801 nan 8.280 nan 0.000 0.514 302 D N 5.811 126.225 120.400 0.023 0.000 2.346 302 D HA -0.019 4.621 4.640 -0.001 0.000 0.260 302 D C 1.158 177.332 176.300 -0.208 0.000 1.252 302 D CA -0.089 53.919 54.000 0.014 0.000 0.895 302 D CB 1.006 41.947 40.800 0.235 0.000 1.097 302 D HN 0.696 nan 8.370 nan 0.000 0.489 303 L N 4.368 125.465 121.223 -0.209 0.000 2.291 303 L HA -0.121 4.218 4.340 -0.001 0.000 0.214 303 L C 2.037 178.842 176.870 -0.108 0.000 1.120 303 L CA 0.157 54.842 54.840 -0.258 0.000 0.799 303 L CB -0.076 41.918 42.059 -0.108 0.000 0.925 303 L HN 0.554 nan 8.230 nan 0.000 0.446 304 I N -0.285 120.264 120.570 -0.034 0.000 2.235 304 I HA -0.165 4.004 4.170 -0.001 0.000 0.241 304 I C 2.786 178.913 176.117 0.017 0.000 1.085 304 I CA 1.716 63.020 61.300 0.006 0.000 1.378 304 I CB -1.222 36.798 38.000 0.033 0.000 1.076 304 I HN 0.286 nan 8.210 nan 0.000 0.415 305 S N 0.643 116.367 115.700 0.040 0.000 2.428 305 S HA 0.022 4.491 4.470 -0.001 0.000 0.230 305 S C 1.877 176.497 174.600 0.033 0.000 1.014 305 S CA 0.920 59.154 58.200 0.056 0.000 0.957 305 S CB -0.301 62.969 63.200 0.116 0.000 0.784 305 S HN 0.632 nan 8.310 nan 0.000 0.499 306 G N 0.931 109.734 108.800 0.004 0.000 2.184 306 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.264 306 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.264 306 G C -0.381 174.583 174.900 0.107 0.000 0.975 306 G CA 0.279 45.416 45.100 0.061 0.000 0.642 306 G HN 0.578 nan 8.290 nan 0.000 0.536 307 D N 0.249 120.645 120.400 -0.007 0.000 2.313 307 D HA 0.538 5.177 4.640 -0.001 0.000 0.247 307 D C 0.917 177.004 176.300 -0.354 0.000 1.094 307 D CA -0.021 53.832 54.000 -0.245 0.000 0.925 307 D CB 0.619 41.128 40.800 -0.485 0.000 1.188 307 D HN 0.343 nan 8.370 nan 0.000 0.430 308 R N 1.178 121.366 120.500 -0.519 0.000 2.460 308 R HA 0.581 4.921 4.340 -0.001 0.000 0.303 308 R C -0.747 175.153 176.300 -0.666 0.000 0.968 308 R CA -0.604 55.208 56.100 -0.479 0.000 0.889 308 R CB 1.099 31.188 30.300 -0.351 0.000 1.123 308 R HN 0.280 nan 8.270 nan 0.000 0.455 309 F N -0.075 119.792 119.950 -0.140 0.000 2.650 309 F HA 0.381 4.907 4.527 -0.001 0.000 0.320 309 F C 0.176 175.971 175.800 -0.008 0.000 1.091 309 F CA -0.942 57.029 58.000 -0.048 0.000 0.962 309 F CB 1.740 40.699 39.000 -0.068 0.000 1.363 309 F HN 0.230 nan 8.300 nan 0.000 0.482 310 E N 1.809 122.177 120.200 0.280 0.000 2.227 310 E HA 0.568 4.917 4.350 -0.001 0.000 0.268 310 E C -1.249 175.427 176.600 0.127 0.000 0.907 310 E CA -0.718 55.799 56.400 0.194 0.000 0.786 310 E CB 2.865 32.671 29.700 0.177 0.000 1.191 310 E HN 0.217 nan 8.360 nan 0.000 0.411 311 I N 1.703 122.332 120.570 0.098 0.000 2.509 311 I HA 0.343 4.512 4.170 -0.001 0.000 0.293 311 I C -0.018 176.221 176.117 0.203 0.000 1.020 311 I CA -0.759 60.617 61.300 0.127 0.000 1.088 311 I CB 1.725 39.759 38.000 0.057 0.000 1.267 311 I HN 0.352 nan 8.210 nan 0.000 0.430 312 K N 3.506 124.024 120.400 0.198 0.000 2.156 312 K HA 0.877 5.196 4.320 -0.001 0.000 0.254 312 K C -1.054 175.627 176.600 0.135 0.000 0.950 312 K CA -0.411 56.007 56.287 0.219 0.000 0.849 312 K CB 2.321 34.919 32.500 0.162 0.000 1.100 312 K HN 0.846 nan 8.250 nan 0.000 0.434 313 A N 2.293 125.121 122.820 0.013 0.000 2.594 313 A HA 0.317 4.636 4.320 -0.001 0.000 0.291 313 A C -0.558 176.949 177.584 -0.128 0.000 1.105 313 A CA -0.687 51.220 52.037 -0.217 0.000 0.694 313 A CB 1.186 19.767 19.000 -0.699 0.000 1.291 313 A HN 0.805 nan 8.150 nan 0.000 0.410 314 D N -0.424 119.940 120.400 -0.059 0.000 2.149 314 D HA 0.089 4.728 4.640 -0.001 0.000 0.201 314 D C 0.373 176.631 176.300 -0.070 0.000 0.972 314 D CA 1.691 55.732 54.000 0.069 0.000 0.835 314 D CB 0.116 41.011 40.800 0.157 0.000 0.966 314 D HN 0.224 nan 8.370 nan 0.000 0.476 315 V N 0.725 120.429 119.914 -0.349 0.000 2.588 315 V HA 0.277 4.397 4.120 -0.001 0.000 0.304 315 V C -1.264 174.601 176.094 -0.381 0.000 1.042 315 V CA -0.882 61.205 62.300 -0.355 0.000 0.877 315 V CB 1.758 33.215 31.823 -0.610 0.000 0.996 315 V HN -0.062 nan 8.190 nan 0.000 0.425 316 Y N 2.970 123.270 120.300 0.001 0.000 2.328 316 Y HA 0.691 5.240 4.550 -0.001 0.000 0.336 316 Y C -0.109 175.767 175.900 -0.040 0.000 0.960 316 Y CA -0.931 57.156 58.100 -0.022 0.000 1.134 316 Y CB 2.094 40.542 38.460 -0.020 0.000 1.166 316 Y HN 0.352 nan 8.280 nan 0.000 0.464 317 V N 5.520 125.407 119.914 -0.044 0.000 2.487 317 V HA 0.400 4.520 4.120 -0.001 0.000 0.298 317 V C -0.457 175.502 176.094 -0.224 0.000 1.028 317 V CA -0.920 61.240 62.300 -0.234 0.000 0.860 317 V CB 1.769 33.242 31.823 -0.584 0.000 0.991 317 V HN 0.596 nan 8.190 nan 0.000 0.427 318 L N 5.224 126.310 121.223 -0.229 0.000 2.276 318 L HA 0.540 4.879 4.340 -0.001 0.000 0.286 318 L C 0.328 177.086 176.870 -0.187 0.000 1.024 318 L CA -0.161 54.565 54.840 -0.189 0.000 0.826 318 L CB 1.556 43.485 42.059 -0.216 0.000 1.211 318 L HN 0.817 nan 8.230 nan 0.000 0.422 319 T N -1.534 112.946 114.554 -0.123 0.000 3.624 319 T HA 0.346 4.696 4.350 -0.001 0.000 0.244 319 T C 0.644 175.349 174.700 0.008 0.000 1.063 319 T CA -0.169 61.901 62.100 -0.049 0.000 1.252 319 T CB 1.002 69.838 68.868 -0.054 0.000 1.021 319 T HN 0.519 nan 8.240 nan 0.000 0.590 320 A N 0.823 123.656 122.820 0.022 0.000 2.337 320 A HA 0.763 5.082 4.320 -0.001 0.000 0.227 320 A C 1.392 179.051 177.584 0.126 0.000 1.259 320 A CA 0.092 52.168 52.037 0.065 0.000 0.870 320 A CB -0.806 18.230 19.000 0.059 0.000 0.927 320 A HN 1.695 nan 8.150 nan 0.000 0.497 321 G N -2.528 106.343 108.800 0.118 0.000 2.663 321 G HA2 0.255 4.214 3.960 -0.001 0.000 0.686 321 G HA3 0.255 4.214 3.960 -0.001 0.000 0.686 321 G C 0.754 175.750 174.900 0.161 0.000 1.288 321 G CA -0.312 44.864 45.100 0.127 0.000 0.836 321 G HN 1.274 nan 8.290 nan 0.000 0.584 322 A N -0.482 122.420 122.820 0.135 0.000 1.933 322 A HA 0.232 4.551 4.320 -0.001 0.000 0.218 322 A C 2.645 180.315 177.584 0.143 0.000 1.175 322 A CA 3.176 55.289 52.037 0.127 0.000 0.628 322 A CB -0.360 18.687 19.000 0.079 0.000 0.814 322 A HN 1.580 nan 8.150 nan 0.000 0.444 323 V N -0.859 119.099 119.914 0.073 0.000 2.302 323 V HA -0.203 3.916 4.120 -0.001 0.000 0.243 323 V C 2.224 178.339 176.094 0.035 0.000 1.036 323 V CA 2.160 64.478 62.300 0.030 0.000 1.020 323 V CB -1.071 30.659 31.823 -0.156 0.000 0.657 323 V HN 0.736 nan 8.190 nan 0.000 0.453 324 H N -0.250 118.891 119.070 0.118 0.000 2.502 324 H HA -0.031 4.524 4.556 -0.001 0.000 0.283 324 H C 2.269 177.587 175.328 -0.017 0.000 1.015 324 H CA 0.903 56.972 56.048 0.035 0.000 1.298 324 H CB 0.072 29.835 29.762 0.002 0.000 1.411 324 H HN 0.321 nan 8.280 nan 0.000 0.556 325 N N -0.034 118.742 118.700 0.125 0.000 2.069 325 N HA -0.127 4.612 4.740 -0.001 0.000 0.191 325 N C 1.770 177.262 175.510 -0.031 0.000 1.031 325 N CA 1.836 54.891 53.050 0.009 0.000 0.852 325 N CB -0.491 37.989 38.487 -0.011 0.000 1.018 325 N HN 0.317 nan 8.380 nan 0.000 0.423 326 T N 0.700 115.313 114.554 0.098 0.000 2.788 326 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 326 T C 1.819 176.374 174.700 -0.241 0.000 1.044 326 T CA 1.008 63.158 62.100 0.085 0.000 1.139 326 T CB -0.156 68.913 68.868 0.334 0.000 0.867 326 T HN 0.354 nan 8.240 nan 0.000 0.454 327 Q N 0.160 119.711 119.800 -0.415 0.000 2.084 327 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 327 Q C 2.313 178.032 176.000 -0.468 0.000 0.978 327 Q CA 1.085 56.315 55.803 -0.955 0.000 0.844 327 Q CB -0.216 28.264 28.738 -0.430 0.000 0.898 327 Q HN 0.368 nan 8.270 nan 0.000 0.426 328 L N 0.778 121.861 121.223 -0.233 0.000 2.017 328 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 328 L C 2.073 178.854 176.870 -0.148 0.000 1.073 328 L CA 1.575 56.319 54.840 -0.160 0.000 0.745 328 L CB -0.806 41.181 42.059 -0.121 0.000 0.894 328 L HN 0.303 nan 8.230 nan 0.000 0.432 329 L N -1.602 119.512 121.223 -0.182 0.000 1.989 329 L HA -0.245 4.095 4.340 -0.001 0.000 0.211 329 L C 2.469 179.357 176.870 0.030 0.000 1.071 329 L CA 1.363 56.112 54.840 -0.151 0.000 0.749 329 L CB -0.749 41.122 42.059 -0.312 0.000 0.890 329 L HN 0.108 nan 8.230 nan 0.000 0.431 330 V N -0.050 119.817 119.914 -0.078 0.000 2.343 330 V HA -0.290 3.830 4.120 -0.001 0.000 0.247 330 V C 2.155 178.233 176.094 -0.027 0.000 1.051 330 V CA 2.091 64.375 62.300 -0.026 0.000 1.036 330 V CB -0.729 31.038 31.823 -0.094 0.000 0.654 330 V HN 0.496 nan 8.190 nan 0.000 0.451 331 N N 0.055 118.694 118.700 -0.101 0.000 2.381 331 N HA -0.110 4.630 4.740 -0.001 0.000 0.182 331 N C 1.577 177.079 175.510 -0.013 0.000 1.025 331 N CA 1.256 54.273 53.050 -0.056 0.000 0.888 331 N CB -0.076 38.362 38.487 -0.082 0.000 0.965 331 N HN 0.397 nan 8.380 nan 0.000 0.438 332 S N -1.454 114.262 115.700 0.028 0.000 2.575 332 S HA 0.311 4.780 4.470 -0.001 0.000 0.215 332 S C 1.076 175.675 174.600 -0.002 0.000 0.966 332 S CA 0.322 58.552 58.200 0.051 0.000 0.911 332 S CB 0.403 63.688 63.200 0.141 0.000 0.780 332 S HN 0.567 nan 8.310 nan 0.000 0.514 333 G N 0.994 109.795 108.800 0.002 0.000 2.159 333 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.227 333 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.227 333 G C -0.078 174.753 174.900 -0.116 0.000 0.986 333 G CA -0.556 44.497 45.100 -0.078 0.000 0.651 333 G HN 0.418 nan 8.290 nan 0.000 0.523 334 F N 0.933 120.861 119.950 -0.036 0.000 2.375 334 F HA 0.554 5.081 4.527 -0.001 0.000 0.333 334 F C 1.535 177.349 175.800 0.022 0.000 1.104 334 F CA 1.002 58.991 58.000 -0.017 0.000 1.149 334 F CB 1.158 40.114 39.000 -0.073 0.000 1.190 334 F HN 0.812 nan 8.300 nan 0.000 0.533 335 G N 2.036 110.981 108.800 0.241 0.000 2.552 335 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.265 335 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.265 335 G C -0.838 174.142 174.900 0.132 0.000 1.234 335 G CA -0.183 45.028 45.100 0.184 0.000 0.944 335 G HN 0.805 nan 8.290 nan 0.000 0.568 336 Q N -1.017 118.865 119.800 0.138 0.000 2.285 336 Q HA 0.619 4.958 4.340 -0.001 0.000 0.269 336 Q C -1.006 175.082 176.000 0.147 0.000 1.030 336 Q CA -0.987 54.878 55.803 0.103 0.000 0.788 336 Q CB 1.755 30.531 28.738 0.063 0.000 1.266 336 Q HN 0.756 nan 8.270 nan 0.000 0.438 337 L N 3.296 124.596 121.223 0.128 0.000 2.371 337 L HA 0.733 5.072 4.340 -0.001 0.000 0.272 337 L C 0.339 177.296 176.870 0.145 0.000 1.124 337 L CA 1.842 56.785 54.840 0.172 0.000 0.816 337 L CB 1.063 43.198 42.059 0.126 0.000 1.129 337 L HN 0.827 nan 8.230 nan 0.000 0.448 338 G N 3.589 112.529 108.800 0.234 0.000 2.710 338 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.668 338 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.668 338 G C -0.516 174.269 174.900 -0.191 0.000 1.320 338 G CA -0.342 44.845 45.100 0.145 0.000 0.860 338 G HN 0.878 nan 8.290 nan 0.000 0.538 339 R N 0.800 120.945 120.500 -0.592 0.000 2.502 339 R HA 0.337 4.676 4.340 -0.001 0.000 0.292 339 R C -1.855 173.998 176.300 -0.745 0.000 0.998 339 R CA -0.488 54.814 56.100 -1.331 0.000 1.056 339 R CB -0.009 29.822 30.300 -0.780 0.000 0.939 339 R HN 0.359 nan 8.270 nan 0.000 0.411 340 P HA 0.046 nan 4.420 nan 0.000 0.271 340 P C -1.331 175.812 177.300 -0.262 0.000 1.218 340 P CA -0.098 62.777 63.100 -0.375 0.000 0.780 340 P CB 0.559 32.069 31.700 -0.316 0.000 0.901 341 N N 2.394 121.000 118.700 -0.157 0.000 2.594 341 N HA 0.192 4.932 4.740 -0.001 0.000 0.280 341 N C -2.235 173.232 175.510 -0.071 0.000 1.156 341 N CA -1.652 51.331 53.050 -0.113 0.000 0.831 341 N CB 1.435 39.861 38.487 -0.102 0.000 1.379 341 N HN 0.040 nan 8.380 nan 0.000 0.536 342 P HA -0.041 nan 4.420 nan 0.000 0.220 342 P C 1.159 178.443 177.300 -0.026 0.000 1.148 342 P CA 0.746 63.825 63.100 -0.036 0.000 0.803 342 P CB 0.240 31.919 31.700 -0.035 0.000 0.782 343 A N -1.025 121.777 122.820 -0.030 0.000 2.084 343 A HA -0.176 4.143 4.320 -0.001 0.000 0.221 343 A C 1.400 178.973 177.584 -0.018 0.000 1.161 343 A CA 1.469 53.492 52.037 -0.023 0.000 0.653 343 A CB -0.834 18.150 19.000 -0.025 0.000 0.802 343 A HN 0.176 nan 8.150 nan 0.000 0.457 344 N N -0.317 118.370 118.700 -0.021 0.000 2.726 344 N HA 0.227 4.966 4.740 -0.001 0.000 0.253 344 N C -3.282 172.222 175.510 -0.010 0.000 1.530 344 N CA -0.977 52.063 53.050 -0.015 0.000 0.772 344 N CB 1.528 40.003 38.487 -0.020 0.000 1.220 344 N HN 0.157 nan 8.380 nan 0.000 0.508 345 P HA 0.329 nan 4.420 nan 0.000 0.275 345 P C -2.677 174.635 177.300 0.020 0.000 1.228 345 P CA -0.941 62.165 63.100 0.010 0.000 0.786 345 P CB 0.139 31.848 31.700 0.015 0.000 0.927 346 P HA 0.134 nan 4.420 nan 0.000 0.271 346 P C 0.927 178.256 177.300 0.048 0.000 1.216 346 P CA -0.060 63.067 63.100 0.046 0.000 0.776 346 P CB 0.827 32.572 31.700 0.075 0.000 0.881 347 E N 1.881 122.103 120.200 0.036 0.000 2.077 347 E HA -0.084 4.265 4.350 -0.001 0.000 0.193 347 E C -0.098 176.538 176.600 0.059 0.000 0.989 347 E CA 0.836 57.255 56.400 0.032 0.000 0.800 347 E CB 0.060 29.766 29.700 0.010 0.000 0.746 347 E HN 0.409 nan 8.360 nan 0.000 0.452 348 L N 1.266 122.537 121.223 0.079 0.000 2.346 348 L HA 0.287 4.626 4.340 -0.001 0.000 0.276 348 L C -0.013 176.986 176.870 0.215 0.000 1.006 348 L CA -0.817 54.112 54.840 0.148 0.000 0.817 348 L CB 1.821 43.942 42.059 0.104 0.000 1.272 348 L HN 0.141 nan 8.230 nan 0.000 0.421 349 L N 3.648 125.023 121.223 0.253 0.000 3.887 349 L HA -0.186 4.153 4.340 -0.001 0.000 0.546 349 L C -1.525 175.460 176.870 0.191 0.000 1.196 349 L CA -0.501 54.484 54.840 0.241 0.000 0.777 349 L CB -0.845 41.381 42.059 0.279 0.000 1.346 349 L HN 0.587 nan 8.230 nan 0.000 0.810 350 P HA -0.077 nan 4.420 nan 0.000 0.226 350 P C 1.242 178.640 177.300 0.163 0.000 1.153 350 P CA 0.860 64.039 63.100 0.133 0.000 0.777 350 P CB 0.324 32.084 31.700 0.099 0.000 0.794 351 S N -0.503 115.314 115.700 0.195 0.000 2.603 351 S HA 0.048 4.517 4.470 -0.001 0.000 0.220 351 S C 0.822 175.581 174.600 0.266 0.000 0.967 351 S CA -0.324 58.036 58.200 0.267 0.000 0.920 351 S CB -0.735 62.624 63.200 0.264 0.000 0.773 351 S HN 0.084 nan 8.310 nan 0.000 0.529 352 L N 2.181 123.539 121.223 0.226 0.000 2.499 352 L HA 0.447 4.786 4.340 -0.001 0.000 0.273 352 L C 1.163 178.176 176.870 0.237 0.000 1.195 352 L CA 1.115 56.091 54.840 0.226 0.000 0.882 352 L CB -0.199 41.981 42.059 0.202 0.000 1.133 352 L HN 0.323 nan 8.230 nan 0.000 0.483 353 G N 2.340 111.291 108.800 0.250 0.000 2.184 353 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.264 353 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.264 353 G C 0.420 175.444 174.900 0.206 0.000 0.975 353 G CA 0.343 45.591 45.100 0.247 0.000 0.642 353 G HN 0.820 nan 8.290 nan 0.000 0.536 354 S N -1.637 114.186 115.700 0.205 0.000 2.704 354 S HA 0.653 5.122 4.470 -0.001 0.000 0.305 354 S C 0.373 175.107 174.600 0.223 0.000 1.107 354 S CA 0.071 58.332 58.200 0.102 0.000 0.993 354 S CB 0.883 64.068 63.200 -0.026 0.000 1.110 354 S HN 0.923 nan 8.310 nan 0.000 0.534 355 Y N -0.942 119.426 120.300 0.115 0.000 4.177 355 Y HA -0.208 4.341 4.550 -0.001 0.000 0.227 355 Y C 0.476 176.458 175.900 0.137 0.000 1.154 355 Y CA 0.229 58.394 58.100 0.109 0.000 1.887 355 Y CB -2.180 36.340 38.460 0.100 0.000 1.594 355 Y HN 0.594 nan 8.280 nan 0.000 0.668 356 I N -0.295 120.424 120.570 0.249 0.000 2.696 356 I HA 0.517 4.686 4.170 -0.001 0.000 0.284 356 I C 0.670 176.960 176.117 0.290 0.000 1.129 356 I CA 0.303 61.757 61.300 0.255 0.000 1.410 356 I CB 1.316 39.467 38.000 0.252 0.000 1.399 356 I HN 0.179 nan 8.210 nan 0.000 0.579 357 T N 1.717 116.401 114.554 0.217 0.000 2.863 357 T HA 0.688 5.037 4.350 -0.001 0.000 0.285 357 T C -0.667 174.069 174.700 0.060 0.000 1.009 357 T CA -0.691 61.523 62.100 0.191 0.000 0.989 357 T CB 2.022 70.937 68.868 0.077 0.000 1.004 357 T HN 0.838 nan 8.240 nan 0.000 0.455 358 E N 1.239 121.456 120.200 0.029 0.000 2.314 358 E HA 0.354 4.703 4.350 -0.001 0.000 0.272 358 E C -1.008 175.720 176.600 0.213 0.000 0.884 358 E CA -0.581 55.788 56.400 -0.051 0.000 0.753 358 E CB 1.943 31.392 29.700 -0.420 0.000 1.213 358 E HN 0.702 nan 8.360 nan 0.000 0.432 359 Q N 1.145 121.076 119.800 0.218 0.000 2.340 359 Q HA 0.437 4.776 4.340 -0.001 0.000 0.249 359 Q C -0.422 175.781 176.000 0.339 0.000 0.957 359 Q CA -0.419 55.560 55.803 0.293 0.000 0.882 359 Q CB 1.242 30.181 28.738 0.335 0.000 1.235 359 Q HN 0.461 nan 8.270 nan 0.000 0.439 360 S N 1.339 117.145 115.700 0.178 0.000 2.565 360 S HA 0.401 4.870 4.470 -0.001 0.000 0.276 360 S C -0.728 173.900 174.600 0.047 0.000 1.326 360 S CA -0.561 57.598 58.200 -0.069 0.000 1.045 360 S CB 0.460 63.519 63.200 -0.235 0.000 0.918 360 S HN 0.386 nan 8.310 nan 0.000 0.505 361 L N 4.447 125.669 121.223 -0.001 0.000 2.409 361 L HA 0.740 5.079 4.340 -0.001 0.000 0.272 361 L C -0.821 175.905 176.870 -0.239 0.000 0.980 361 L CA -0.659 54.085 54.840 -0.160 0.000 0.826 361 L CB 1.610 43.554 42.059 -0.192 0.000 1.268 361 L HN 0.476 nan 8.230 nan 0.000 0.407 362 V N 2.002 121.694 119.914 -0.370 0.000 2.815 362 V HA 0.770 4.889 4.120 -0.001 0.000 0.314 362 V C -0.980 174.969 176.094 -0.242 0.000 1.064 362 V CA -0.697 61.307 62.300 -0.494 0.000 0.952 362 V CB 1.691 33.026 31.823 -0.813 0.000 1.020 362 V HN 0.850 nan 8.190 nan 0.000 0.439 363 F N 4.005 123.738 119.950 -0.362 0.000 2.608 363 F HA 0.857 5.383 4.527 -0.001 0.000 0.309 363 F C -0.441 175.224 175.800 -0.224 0.000 1.103 363 F CA -0.147 57.723 58.000 -0.218 0.000 0.954 363 F CB 1.488 40.403 39.000 -0.142 0.000 1.267 363 F HN 1.221 nan 8.300 nan 0.000 0.444 364 C N 2.538 121.214 119.300 -1.041 0.000 3.320 364 C HA 0.817 5.277 4.460 -0.001 0.000 0.335 364 C C -1.682 172.729 174.990 -0.964 0.000 1.430 364 C CA -0.722 57.657 59.018 -1.065 0.000 1.271 364 C CB 1.663 29.011 27.740 -0.654 0.000 1.609 364 C HN 0.983 nan 8.230 nan 0.000 0.457 365 Q N 0.407 119.877 119.800 -0.550 0.000 2.413 365 Q HA 0.791 5.131 4.340 -0.001 0.000 0.276 365 Q C -0.612 175.398 176.000 0.017 0.000 1.099 365 Q CA -0.240 55.460 55.803 -0.171 0.000 0.814 365 Q CB 2.718 31.337 28.738 -0.197 0.000 1.379 365 Q HN 0.947 nan 8.270 nan 0.000 0.436 366 T N -2.587 112.053 114.554 0.142 0.000 2.916 366 T HA 0.703 5.053 4.350 -0.001 0.000 0.292 366 T C -0.640 174.105 174.700 0.075 0.000 1.055 366 T CA -0.730 61.428 62.100 0.098 0.000 1.009 366 T CB 1.243 70.181 68.868 0.117 0.000 1.118 366 T HN 0.260 nan 8.240 nan 0.000 0.497 367 V N 2.783 122.712 119.914 0.024 0.000 2.384 367 V HA 0.404 4.523 4.120 -0.001 0.000 0.287 367 V C 0.359 176.455 176.094 0.004 0.000 1.020 367 V CA -0.913 61.393 62.300 0.009 0.000 0.850 367 V CB 1.143 32.962 31.823 -0.007 0.000 0.987 367 V HN 1.030 nan 8.190 nan 0.000 0.436 368 M N 4.789 124.400 119.600 0.017 0.000 2.248 368 M HA 0.068 4.547 4.480 -0.001 0.000 0.343 368 M C 0.889 177.189 176.300 0.000 0.000 1.243 368 M CA 0.761 56.073 55.300 0.021 0.000 1.025 368 M CB 0.578 33.190 32.600 0.020 0.000 1.759 368 M HN 0.939 nan 8.290 nan 0.000 0.452 369 S N 2.502 118.201 115.700 -0.003 0.000 2.579 369 S HA 0.088 4.557 4.470 -0.001 0.000 0.275 369 S C 1.026 175.623 174.600 -0.005 0.000 1.345 369 S CA -0.150 58.040 58.200 -0.018 0.000 1.031 369 S CB 0.650 63.834 63.200 -0.026 0.000 0.892 369 S HN 0.805 nan 8.310 nan 0.000 0.529 370 T N 1.743 116.291 114.554 -0.010 0.000 2.665 370 T HA -0.157 4.192 4.350 -0.001 0.000 0.268 370 T C 1.639 176.343 174.700 0.007 0.000 1.035 370 T CA 1.966 64.065 62.100 -0.002 0.000 1.151 370 T CB -0.538 68.326 68.868 -0.007 0.000 0.862 370 T HN 0.789 nan 8.240 nan 0.000 0.438 371 E N 0.278 120.479 120.200 0.001 0.000 2.058 371 E HA -0.099 4.251 4.350 -0.001 0.000 0.194 371 E C 2.235 178.851 176.600 0.027 0.000 0.997 371 E CA 0.934 57.339 56.400 0.008 0.000 0.801 371 E CB -0.215 29.483 29.700 -0.003 0.000 0.746 371 E HN 0.417 nan 8.360 nan 0.000 0.450 372 L N 0.664 121.905 121.223 0.030 0.000 2.056 372 L HA -0.190 4.149 4.340 -0.001 0.000 0.207 372 L C 2.376 179.287 176.870 0.068 0.000 1.078 372 L CA 0.443 55.317 54.840 0.057 0.000 0.749 372 L CB -0.211 41.881 42.059 0.054 0.000 0.901 372 L HN 0.228 nan 8.230 nan 0.000 0.433 373 I N -0.090 120.505 120.570 0.043 0.000 2.179 373 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 373 I C 2.148 178.296 176.117 0.052 0.000 1.088 373 I CA 1.502 62.824 61.300 0.037 0.000 1.357 373 I CB -1.120 36.891 38.000 0.018 0.000 1.051 373 I HN 0.286 nan 8.210 nan 0.000 0.409 374 D N 0.778 121.207 120.400 0.048 0.000 2.149 374 D HA -0.150 4.489 4.640 -0.001 0.000 0.198 374 D C 2.373 178.721 176.300 0.081 0.000 0.990 374 D CA 1.739 55.772 54.000 0.054 0.000 0.839 374 D CB -0.149 40.673 40.800 0.038 0.000 0.948 374 D HN 0.375 nan 8.370 nan 0.000 0.460 375 S N 0.056 115.814 115.700 0.097 0.000 2.419 375 S HA -0.141 4.329 4.470 -0.001 0.000 0.235 375 S C 2.177 176.928 174.600 0.252 0.000 1.019 375 S CA 0.935 59.225 58.200 0.150 0.000 0.982 375 S CB -0.620 62.663 63.200 0.138 0.000 0.789 375 S HN 0.099 nan 8.310 nan 0.000 0.490 376 V N 2.930 122.969 119.914 0.208 0.000 2.469 376 V HA -0.166 3.954 4.120 -0.001 0.000 0.251 376 V C 2.176 178.407 176.094 0.228 0.000 1.064 376 V CA 2.150 64.598 62.300 0.246 0.000 1.066 376 V CB -0.834 31.042 31.823 0.089 0.000 0.667 376 V HN 0.840 nan 8.190 nan 0.000 0.461 377 K N -0.030 120.466 120.400 0.160 0.000 2.514 377 K HA 0.188 4.508 4.320 -0.001 0.000 0.207 377 K C 1.542 178.211 176.600 0.115 0.000 1.035 377 K CA 0.668 57.032 56.287 0.127 0.000 1.113 377 K CB 0.247 32.802 32.500 0.092 0.000 0.846 377 K HN 0.391 nan 8.250 nan 0.000 0.491 378 S N 0.763 116.549 115.700 0.144 0.000 2.440 378 S HA -0.155 4.314 4.470 -0.001 0.000 0.238 378 S C 0.913 175.535 174.600 0.036 0.000 1.010 378 S CA 1.209 59.454 58.200 0.075 0.000 0.972 378 S CB -0.244 62.981 63.200 0.043 0.000 0.774 378 S HN 0.301 nan 8.310 nan 0.000 0.501 379 D N 0.685 121.118 120.400 0.055 0.000 2.339 379 D HA 0.232 4.872 4.640 -0.001 0.000 0.217 379 D C 0.231 176.572 176.300 0.068 0.000 1.050 379 D CA 0.233 54.248 54.000 0.025 0.000 0.856 379 D CB -0.003 40.791 40.800 -0.010 0.000 0.922 379 D HN 0.376 nan 8.370 nan 0.000 0.518 380 M N 0.317 119.959 119.600 0.069 0.000 2.288 380 M HA 0.215 4.695 4.480 -0.001 0.000 0.334 380 M C 0.339 176.668 176.300 0.049 0.000 1.150 380 M CA 0.096 55.443 55.300 0.080 0.000 1.118 380 M CB 1.031 33.671 32.600 0.067 0.000 1.501 380 M HN -0.342 nan 8.290 nan 0.000 0.462 381 T N 4.008 118.584 114.554 0.036 0.000 2.772 381 T HA 0.683 5.032 4.350 -0.001 0.000 0.288 381 T C -0.070 174.608 174.700 -0.037 0.000 0.994 381 T CA -0.359 61.742 62.100 0.001 0.000 0.951 381 T CB 0.462 69.327 68.868 -0.005 0.000 0.933 381 T HN 0.414 nan 8.240 nan 0.000 0.447 382 I N 3.566 124.112 120.570 -0.039 0.000 2.406 382 I HA 0.586 4.755 4.170 -0.001 0.000 0.290 382 I C 0.096 176.179 176.117 -0.057 0.000 0.999 382 I CA -0.888 60.361 61.300 -0.085 0.000 1.124 382 I CB 1.584 39.574 38.000 -0.018 0.000 1.289 382 I HN 0.253 nan 8.210 nan 0.000 0.441 383 R N 4.467 124.903 120.500 -0.107 0.000 2.651 383 R HA 0.689 5.028 4.340 -0.001 0.000 0.278 383 R C -0.325 175.977 176.300 0.004 0.000 1.010 383 R CA 0.110 56.186 56.100 -0.040 0.000 0.896 383 R CB 2.318 32.586 30.300 -0.054 0.000 1.211 383 R HN 0.888 nan 8.270 nan 0.000 0.456 384 G N 1.120 109.969 108.800 0.082 0.000 2.698 384 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.225 384 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.225 384 G C -0.802 174.257 174.900 0.265 0.000 1.345 384 G CA -0.152 45.039 45.100 0.151 0.000 0.871 384 G HN 0.866 nan 8.290 nan 0.000 0.540 385 T N -0.902 113.785 114.554 0.221 0.000 2.893 385 T HA 0.750 5.099 4.350 -0.001 0.000 0.291 385 T C -2.936 171.687 174.700 -0.128 0.000 1.028 385 T CA -1.185 60.978 62.100 0.106 0.000 0.995 385 T CB 2.471 71.352 68.868 0.022 0.000 1.051 385 T HN 0.531 nan 8.240 nan 0.000 0.470 386 P HA 0.240 nan 4.420 nan 0.000 0.264 386 P C 1.185 178.292 177.300 -0.321 0.000 1.179 386 P CA 1.659 64.260 63.100 -0.832 0.000 0.763 386 P CB 0.133 31.441 31.700 -0.654 0.000 0.806 387 G N 1.507 110.170 108.800 -0.227 0.000 2.267 387 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.257 387 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.257 387 G C -0.002 174.878 174.900 -0.034 0.000 0.998 387 G CA -0.000 45.044 45.100 -0.094 0.000 0.620 387 G HN 0.566 nan 8.290 nan 0.000 0.529 388 E N 0.675 120.866 120.200 -0.015 0.000 2.283 388 E HA 0.556 4.906 4.350 -0.001 0.000 0.267 388 E C 1.637 178.272 176.600 0.059 0.000 1.045 388 E CA -0.719 55.694 56.400 0.023 0.000 0.884 388 E CB 0.636 30.356 29.700 0.034 0.000 1.106 388 E HN 0.030 nan 8.360 nan 0.000 0.408 389 L N 0.402 121.652 121.223 0.045 0.000 2.131 389 L HA -0.114 4.226 4.340 -0.001 0.000 0.210 389 L C 1.703 178.609 176.870 0.060 0.000 1.092 389 L CA 1.637 56.504 54.840 0.046 0.000 0.759 389 L CB -2.285 39.790 42.059 0.027 0.000 0.903 389 L HN 0.582 nan 8.230 nan 0.000 0.435 390 T N -4.035 110.562 114.554 0.071 0.000 3.188 390 T HA 0.040 4.389 4.350 -0.001 0.000 0.250 390 T C 0.430 175.192 174.700 0.103 0.000 1.077 390 T CA -0.427 61.713 62.100 0.066 0.000 0.967 390 T CB -0.681 68.213 68.868 0.044 0.000 1.006 390 T HN 0.090 nan 8.240 nan 0.000 0.552 391 Y N 2.946 123.245 120.300 -0.001 0.000 2.544 391 Y HA 0.410 4.959 4.550 -0.001 0.000 0.330 391 Y C 0.197 176.097 175.900 0.001 0.000 1.136 391 Y CA -0.791 57.309 58.100 -0.000 0.000 1.417 391 Y CB 0.364 38.822 38.460 -0.003 0.000 1.229 391 Y HN 0.151 nan 8.280 nan 0.000 0.532 392 S N 5.737 121.171 115.700 -0.444 0.000 2.733 392 S HA 0.661 5.130 4.470 -0.001 0.000 0.294 392 S C -1.868 172.449 174.600 -0.473 0.000 1.149 392 S CA -0.687 57.297 58.200 -0.359 0.000 1.034 392 S CB 0.435 63.537 63.200 -0.163 0.000 1.015 392 S HN 0.443 nan 8.310 nan 0.000 0.486 393 V N 5.248 124.935 119.914 -0.379 0.000 2.378 393 V HA 0.722 4.842 4.120 -0.001 0.000 0.288 393 V C 0.196 176.257 176.094 -0.055 0.000 1.016 393 V CA -0.422 61.753 62.300 -0.208 0.000 0.840 393 V CB 1.228 32.960 31.823 -0.151 0.000 0.994 393 V HN 1.006 nan 8.190 nan 0.000 0.431 394 T N 1.896 116.448 114.554 -0.003 0.000 2.864 394 T HA 0.876 5.225 4.350 -0.001 0.000 0.299 394 T C -0.981 173.806 174.700 0.146 0.000 1.166 394 T CA -0.742 61.380 62.100 0.037 0.000 1.007 394 T CB 2.392 71.233 68.868 -0.045 0.000 1.219 394 T HN 0.798 nan 8.240 nan 0.000 0.506 395 Y N -1.827 118.464 120.300 -0.015 0.000 2.728 395 Y HA 0.792 5.341 4.550 -0.001 0.000 0.330 395 Y C -1.027 174.865 175.900 -0.012 0.000 1.234 395 Y CA -1.308 56.785 58.100 -0.011 0.000 1.070 395 Y CB 0.848 39.309 38.460 0.003 0.000 1.300 395 Y HN 0.626 nan 8.280 nan 0.000 0.467 396 T N 3.768 118.309 114.554 -0.021 0.000 2.853 396 T HA 0.407 4.757 4.350 -0.001 0.000 0.317 396 T C -2.902 171.805 174.700 0.011 0.000 1.059 396 T CA -1.412 60.623 62.100 -0.109 0.000 0.954 396 T CB 0.646 69.499 68.868 -0.026 0.000 0.994 396 T HN 0.325 nan 8.240 nan 0.000 0.479 397 P HA 0.275 nan 4.420 nan 0.000 0.267 397 P C 1.064 178.407 177.300 0.071 0.000 1.209 397 P CA 0.692 63.866 63.100 0.124 0.000 0.763 397 P CB 0.429 32.153 31.700 0.040 0.000 0.816 398 G N 2.130 110.985 108.800 0.091 0.000 2.176 398 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.232 398 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.232 398 G C 0.402 175.313 174.900 0.019 0.000 0.986 398 G CA -0.087 45.038 45.100 0.043 0.000 0.643 398 G HN 0.836 nan 8.290 nan 0.000 0.522 399 A N 0.876 123.709 122.820 0.023 0.000 2.511 399 A HA 0.634 4.953 4.320 -0.001 0.000 0.242 399 A C 1.827 179.400 177.584 -0.019 0.000 1.069 399 A CA 1.308 53.345 52.037 0.001 0.000 0.763 399 A CB 0.316 19.319 19.000 0.005 0.000 1.001 399 A HN 1.725 nan 8.150 nan 0.000 0.498 400 S N 1.613 117.298 115.700 -0.025 0.000 2.419 400 S HA -0.189 4.280 4.470 -0.001 0.000 0.233 400 S C 1.480 176.045 174.600 -0.057 0.000 1.016 400 S CA 1.821 59.999 58.200 -0.038 0.000 0.974 400 S CB -0.974 62.207 63.200 -0.030 0.000 0.786 400 S HN 1.203 nan 8.310 nan 0.000 0.492 401 T N -0.894 113.627 114.554 -0.055 0.000 3.113 401 T HA 0.162 4.512 4.350 -0.001 0.000 0.256 401 T C 0.509 175.146 174.700 -0.105 0.000 1.131 401 T CA -0.296 61.761 62.100 -0.071 0.000 1.074 401 T CB -0.635 68.201 68.868 -0.054 0.000 0.944 401 T HN 0.213 nan 8.240 nan 0.000 0.516 402 N N 2.089 120.725 118.700 -0.106 0.000 2.458 402 N HA 0.175 4.914 4.740 -0.001 0.000 0.258 402 N C 0.802 176.143 175.510 -0.282 0.000 1.219 402 N CA 0.085 53.041 53.050 -0.157 0.000 0.902 402 N CB 0.943 39.363 38.487 -0.111 0.000 1.076 402 N HN 0.372 nan 8.380 nan 0.000 0.455 403 K N 0.802 120.924 120.400 -0.464 0.000 2.361 403 K HA 0.066 4.385 4.320 -0.001 0.000 0.196 403 K C -0.141 175.870 176.600 -0.983 0.000 1.039 403 K CA 0.606 56.468 56.287 -0.710 0.000 1.001 403 K CB 0.213 32.235 32.500 -0.796 0.000 0.795 403 K HN 0.545 nan 8.250 nan 0.000 0.495 404 H N -0.344 118.381 119.070 -0.575 0.000 2.731 404 H HA 0.310 4.865 4.556 -0.001 0.000 0.368 404 H C -2.500 172.468 175.328 -0.600 0.000 1.168 404 H CA -2.826 52.701 56.048 -0.869 0.000 1.181 404 H CB 1.205 30.020 29.762 -1.577 0.000 1.743 404 H HN -0.150 nan 8.280 nan 0.000 0.547 405 P HA 0.018 nan 4.420 nan 0.000 0.272 405 P C 0.401 177.446 177.300 -0.425 0.000 1.240 405 P CA -0.229 62.615 63.100 -0.427 0.000 0.791 405 P CB 1.150 32.514 31.700 -0.559 0.000 0.978 406 D N -0.031 120.263 120.400 -0.178 0.000 2.144 406 D HA -0.128 4.512 4.640 -0.001 0.000 0.199 406 D C 1.918 178.213 176.300 -0.008 0.000 0.984 406 D CA 1.196 55.183 54.000 -0.022 0.000 0.834 406 D CB -0.539 40.351 40.800 0.150 0.000 0.955 406 D HN 0.601 nan 8.370 nan 0.000 0.465 407 W N 0.384 121.756 121.300 0.120 0.000 2.342 407 W HA -0.172 4.487 4.660 -0.001 0.000 0.297 407 W C 1.983 178.578 176.519 0.127 0.000 1.213 407 W CA 0.279 57.691 57.345 0.112 0.000 1.251 407 W CB -1.385 28.135 29.460 0.099 0.000 1.136 407 W HN 0.064 nan 8.180 nan 0.000 0.526 408 W N 3.438 124.337 121.300 -0.668 0.000 2.380 408 W HA -0.191 4.468 4.660 -0.001 0.000 0.317 408 W C 2.025 178.308 176.519 -0.395 0.000 1.196 408 W CA 1.881 58.853 57.345 -0.621 0.000 1.307 408 W CB -1.086 27.725 29.460 -1.081 0.000 1.157 408 W HN -0.101 nan 8.180 nan 0.000 0.483 409 N N 0.955 119.607 118.700 -0.080 0.000 2.061 409 N HA -0.246 4.494 4.740 -0.001 0.000 0.193 409 N C 1.547 176.786 175.510 -0.451 0.000 1.030 409 N CA 2.277 55.060 53.050 -0.446 0.000 0.856 409 N CB -0.834 36.967 38.487 -1.144 0.000 1.023 409 N HN 0.270 nan 8.380 nan 0.000 0.424 410 E N 1.227 121.288 120.200 -0.232 0.000 2.077 410 E HA -0.103 4.247 4.350 -0.001 0.000 0.193 410 E C 1.628 178.282 176.600 0.090 0.000 0.989 410 E CA 1.371 57.834 56.400 0.105 0.000 0.800 410 E CB 0.039 29.875 29.700 0.227 0.000 0.746 410 E HN 0.291 nan 8.360 nan 0.000 0.452 411 K N -0.507 119.934 120.400 0.069 0.000 2.057 411 K HA -0.092 4.227 4.320 -0.001 0.000 0.207 411 K C 2.107 178.717 176.600 0.017 0.000 1.049 411 K CA 1.328 57.646 56.287 0.051 0.000 0.931 411 K CB -0.121 32.395 32.500 0.027 0.000 0.714 411 K HN 0.009 nan 8.250 nan 0.000 0.440 412 V N 1.919 121.809 119.914 -0.040 0.000 2.261 412 V HA -0.287 3.832 4.120 -0.001 0.000 0.246 412 V C 2.372 178.507 176.094 0.069 0.000 1.047 412 V CA 1.760 64.049 62.300 -0.018 0.000 1.015 412 V CB -0.451 31.349 31.823 -0.039 0.000 0.642 412 V HN 0.348 nan 8.190 nan 0.000 0.446 413 K N 0.249 120.690 120.400 0.068 0.000 2.034 413 K HA -0.292 4.028 4.320 -0.001 0.000 0.214 413 K C 1.998 178.664 176.600 0.110 0.000 1.051 413 K CA 2.305 58.665 56.287 0.121 0.000 0.931 413 K CB -0.275 32.366 32.500 0.235 0.000 0.715 413 K HN 0.439 nan 8.250 nan 0.000 0.446 414 N N 0.039 118.810 118.700 0.117 0.000 2.188 414 N HA -0.165 4.574 4.740 -0.001 0.000 0.184 414 N C 1.744 177.323 175.510 0.116 0.000 1.018 414 N CA 1.379 54.492 53.050 0.105 0.000 0.858 414 N CB -0.554 37.999 38.487 0.111 0.000 0.989 414 N HN 0.452 nan 8.380 nan 0.000 0.426 415 H N 0.560 119.659 119.070 0.047 0.000 2.326 415 H HA 0.115 4.670 4.556 -0.001 0.000 0.301 415 H C 2.001 177.374 175.328 0.075 0.000 1.081 415 H CA 1.664 57.746 56.048 0.055 0.000 1.334 415 H CB -0.064 29.635 29.762 -0.104 0.000 1.385 415 H HN 0.086 nan 8.280 nan 0.000 0.504 416 M N -0.761 118.829 119.600 -0.016 0.000 2.254 416 M HA -0.112 4.367 4.480 -0.001 0.000 0.265 416 M C 1.777 178.113 176.300 0.060 0.000 1.066 416 M CA 1.017 56.307 55.300 -0.017 0.000 1.123 416 M CB 0.059 32.731 32.600 0.120 0.000 1.388 416 M HN 0.338 nan 8.290 nan 0.000 0.425 417 M N -0.213 119.418 119.600 0.052 0.000 2.288 417 M HA -0.090 4.389 4.480 -0.001 0.000 0.266 417 M C 1.904 178.193 176.300 -0.019 0.000 1.072 417 M CA 1.389 56.727 55.300 0.062 0.000 1.132 417 M CB -0.852 31.770 32.600 0.036 0.000 1.386 417 M HN 0.239 nan 8.290 nan 0.000 0.432 418 Q N -0.761 118.968 119.800 -0.119 0.000 2.402 418 Q HA 0.053 4.393 4.340 -0.001 0.000 0.206 418 Q C 0.186 175.848 176.000 -0.564 0.000 0.919 418 Q CA 0.794 56.414 55.803 -0.305 0.000 0.923 418 Q CB 0.279 28.833 28.738 -0.307 0.000 1.048 418 Q HN 0.585 nan 8.270 nan 0.000 0.515 419 H N 0.532 119.519 119.070 -0.138 0.000 2.336 419 H HA 0.271 4.827 4.556 -0.001 0.000 0.230 419 H C 0.320 175.548 175.328 -0.167 0.000 1.426 419 H CA -0.097 55.866 56.048 -0.141 0.000 1.359 419 H CB 0.526 30.153 29.762 -0.225 0.000 1.555 419 H HN 0.209 nan 8.280 nan 0.000 0.512 420 Q N 0.673 120.445 119.800 -0.047 0.000 2.369 420 Q HA -0.113 4.226 4.340 -0.001 0.000 0.206 420 Q C 2.002 177.925 176.000 -0.128 0.000 0.963 420 Q CA 0.871 56.601 55.803 -0.122 0.000 0.894 420 Q CB 0.424 29.050 28.738 -0.187 0.000 0.965 420 Q HN 0.530 nan 8.270 nan 0.000 0.475 421 E N 1.204 121.383 120.200 -0.035 0.000 2.358 421 E HA -0.113 4.236 4.350 -0.001 0.000 0.195 421 E C -0.323 176.297 176.600 0.033 0.000 1.010 421 E CA 0.530 56.927 56.400 -0.006 0.000 0.856 421 E CB 0.040 29.761 29.700 0.034 0.000 0.795 421 E HN 0.160 nan 8.360 nan 0.000 0.504 422 D N 2.203 122.638 120.400 0.058 0.000 2.264 422 D HA 0.098 4.737 4.640 -0.001 0.000 0.250 422 D C -1.557 174.779 176.300 0.060 0.000 1.113 422 D CA -1.957 52.106 54.000 0.105 0.000 0.871 422 D CB 1.544 42.426 40.800 0.137 0.000 1.167 422 D HN -0.105 nan 8.370 nan 0.000 0.447 423 P HA 0.117 nan 4.420 nan 0.000 0.255 423 P C -0.305 177.032 177.300 0.062 0.000 1.248 423 P CA 0.117 63.247 63.100 0.050 0.000 0.807 423 P CB 0.360 32.083 31.700 0.039 0.000 1.150 424 L N 1.932 123.207 121.223 0.087 0.000 2.325 424 L HA 0.380 4.720 4.340 -0.001 0.000 0.278 424 L C -1.446 175.477 176.870 0.087 0.000 1.023 424 L CA -2.271 52.602 54.840 0.055 0.000 0.811 424 L CB 2.420 44.479 42.059 0.001 0.000 1.249 424 L HN -0.298 nan 8.230 nan 0.000 0.431 425 P HA 0.094 nan 4.420 nan 0.000 0.255 425 P C 0.200 177.389 177.300 -0.185 0.000 1.248 425 P CA 0.485 63.606 63.100 0.034 0.000 0.807 425 P CB 0.356 32.070 31.700 0.023 0.000 1.150 426 I N 1.994 122.357 120.570 -0.344 0.000 2.371 426 I HA 0.224 4.393 4.170 -0.001 0.000 0.290 426 I C -2.144 173.475 176.117 -0.830 0.000 1.028 426 I CA -2.780 58.241 61.300 -0.465 0.000 1.345 426 I CB 0.637 38.453 38.000 -0.306 0.000 1.407 426 I HN -0.265 nan 8.210 nan 0.000 0.501 427 P HA -0.033 nan 4.420 nan 0.000 0.266 427 P C 0.297 177.338 177.300 -0.431 0.000 1.193 427 P CA 0.107 62.816 63.100 -0.653 0.000 0.770 427 P CB 0.335 31.893 31.700 -0.237 0.000 0.836 428 F N 0.871 120.679 119.950 -0.237 0.000 2.161 428 F HA -0.125 4.401 4.527 -0.001 0.000 0.300 428 F C 1.791 177.539 175.800 -0.087 0.000 1.089 428 F CA 1.588 59.501 58.000 -0.145 0.000 1.282 428 F CB -0.845 38.086 39.000 -0.115 0.000 1.010 428 F HN 0.420 nan 8.300 nan 0.000 0.485 429 E N -0.320 119.952 120.200 0.120 0.000 2.419 429 E HA -0.015 4.334 4.350 -0.001 0.000 0.190 429 E C -0.261 176.353 176.600 0.025 0.000 1.040 429 E CA -0.259 56.186 56.400 0.076 0.000 0.900 429 E CB -0.191 29.558 29.700 0.082 0.000 1.054 429 E HN 0.173 nan 8.360 nan 0.000 0.462 430 D N 2.233 122.624 120.400 -0.016 0.000 2.417 430 D HA 0.022 4.661 4.640 -0.001 0.000 0.250 430 D C -2.247 174.064 176.300 0.018 0.000 1.166 430 D CA -1.589 52.389 54.000 -0.036 0.000 0.881 430 D CB 0.834 41.570 40.800 -0.106 0.000 1.164 430 D HN -0.107 nan 8.370 nan 0.000 0.467 431 P HA 0.072 nan 4.420 nan 0.000 0.274 431 P C -0.523 176.896 177.300 0.198 0.000 1.260 431 P CA -0.354 62.838 63.100 0.153 0.000 0.793 431 P CB 0.385 32.174 31.700 0.147 0.000 1.048 432 E N 0.883 121.237 120.200 0.257 0.000 2.404 432 E HA 0.148 4.498 4.350 -0.001 0.000 0.261 432 E C -2.125 174.515 176.600 0.068 0.000 1.074 432 E CA -1.611 54.851 56.400 0.104 0.000 0.917 432 E CB -0.971 28.747 29.700 0.029 0.000 0.965 432 E HN 0.331 nan 8.360 nan 0.000 0.433 433 P HA 0.083 nan 4.420 nan 0.000 0.274 433 P C -0.379 176.927 177.300 0.010 0.000 1.231 433 P CA -0.105 63.069 63.100 0.123 0.000 0.790 433 P CB 0.582 32.306 31.700 0.039 0.000 0.951 434 Q N 0.650 120.561 119.800 0.186 0.000 3.712 434 Q HA 0.300 4.639 4.340 -0.001 0.000 0.242 434 Q C -1.122 174.967 176.000 0.147 0.000 0.837 434 Q CA -0.245 55.536 55.803 -0.036 0.000 0.826 434 Q CB 1.092 29.560 28.738 -0.451 0.000 1.529 434 Q HN 0.175 nan 8.270 nan 0.000 0.405 435 V N 0.573 120.536 119.914 0.082 0.000 2.667 435 V HA 0.769 4.888 4.120 -0.001 0.000 0.308 435 V C 0.148 176.258 176.094 0.026 0.000 1.048 435 V CA -0.391 61.957 62.300 0.080 0.000 0.928 435 V CB 2.095 33.906 31.823 -0.020 0.000 1.004 435 V HN 0.461 nan 8.190 nan 0.000 0.444 436 T N 1.531 116.130 114.554 0.074 0.000 2.923 436 T HA 0.468 4.818 4.350 -0.001 0.000 0.311 436 T C -0.995 173.633 174.700 -0.121 0.000 1.183 436 T CA -0.324 61.758 62.100 -0.029 0.000 1.020 436 T CB 1.872 70.708 68.868 -0.052 0.000 1.165 436 T HN 0.823 nan 8.240 nan 0.000 0.482 437 T N 4.650 118.988 114.554 -0.360 0.000 2.772 437 T HA 0.605 4.954 4.350 -0.001 0.000 0.288 437 T C -0.049 174.497 174.700 -0.257 0.000 0.994 437 T CA -0.623 61.099 62.100 -0.631 0.000 0.951 437 T CB -0.130 67.898 68.868 -1.401 0.000 0.933 437 T HN 0.537 nan 8.240 nan 0.000 0.447 438 L N 4.408 125.561 121.223 -0.117 0.000 2.452 438 L HA 0.381 4.720 4.340 -0.001 0.000 0.267 438 L C 0.768 177.657 176.870 0.031 0.000 1.188 438 L CA -0.904 53.955 54.840 0.032 0.000 0.821 438 L CB 0.196 42.267 42.059 0.019 0.000 1.102 438 L HN 0.629 nan 8.230 nan 0.000 0.470 439 F N 2.774 122.663 119.950 -0.103 0.000 2.604 439 F HA -0.080 4.446 4.527 -0.001 0.000 0.390 439 F C 0.282 175.832 175.800 -0.417 0.000 1.053 439 F CA 0.625 58.472 58.000 -0.255 0.000 1.256 439 F CB 0.134 39.029 39.000 -0.175 0.000 0.996 439 F HN 0.393 nan 8.300 nan 0.000 0.564 440 Q N 6.595 125.879 119.800 -0.860 0.000 2.456 440 Q HA 0.255 4.595 4.340 -0.001 0.000 0.284 440 Q C -2.014 173.501 176.000 -0.809 0.000 1.061 440 Q CA -1.809 53.561 55.803 -0.723 0.000 0.799 440 Q CB 1.410 29.634 28.738 -0.856 0.000 1.445 440 Q HN 0.248 nan 8.270 nan 0.000 0.411 441 P HA -0.209 nan 4.420 nan 0.000 0.217 441 P C 1.151 178.219 177.300 -0.386 0.000 1.151 441 P CA 2.081 64.987 63.100 -0.324 0.000 0.849 441 P CB 0.230 31.840 31.700 -0.150 0.000 0.787 442 S N -1.751 113.726 115.700 -0.372 0.000 2.522 442 S HA -0.094 4.375 4.470 -0.001 0.000 0.227 442 S C 0.525 174.926 174.600 -0.332 0.000 0.986 442 S CA 0.219 58.278 58.200 -0.236 0.000 0.929 442 S CB -1.238 61.931 63.200 -0.052 0.000 0.769 442 S HN 0.444 nan 8.310 nan 0.000 0.529 443 H N -1.459 117.157 119.070 -0.758 0.000 2.562 443 H HA 0.448 5.003 4.556 -0.001 0.000 0.230 443 H C -3.229 170.942 175.328 -1.928 0.000 1.415 443 H CA -1.704 53.489 56.048 -1.425 0.000 1.454 443 H CB 0.330 29.561 29.762 -0.885 0.000 1.716 443 H HN 0.062 nan 8.280 nan 0.000 0.538 444 P HA 0.069 nan 4.420 nan 0.000 0.226 444 P C -1.218 175.441 177.300 -1.067 0.000 1.783 444 P CA 0.242 62.167 63.100 -1.958 0.000 0.980 444 P CB -1.066 30.071 31.700 -0.939 0.000 1.967 445 W N -0.374 120.627 121.300 -0.499 0.000 3.167 445 W HA 0.537 5.196 4.660 -0.001 0.000 0.324 445 W C -0.793 175.835 176.519 0.182 0.000 1.230 445 W CA -1.302 56.086 57.345 0.072 0.000 1.184 445 W CB 0.067 29.577 29.460 0.083 0.000 1.414 445 W HN -0.016 nan 8.180 nan 0.000 0.551 446 H N 0.971 120.329 119.070 0.480 0.000 2.505 446 H HA 0.712 5.267 4.556 -0.001 0.000 0.351 446 H C -0.165 175.328 175.328 0.276 0.000 1.151 446 H CA 0.385 56.599 56.048 0.276 0.000 1.339 446 H CB 1.471 31.327 29.762 0.155 0.000 1.483 446 H HN 0.576 nan 8.280 nan 0.000 0.558 447 T N 1.963 116.156 114.554 -0.602 0.000 2.900 447 T HA 0.533 4.882 4.350 -0.001 0.000 0.295 447 T C -0.795 173.609 174.700 -0.492 0.000 1.044 447 T CA -1.117 60.677 62.100 -0.511 0.000 0.995 447 T CB 1.751 70.231 68.868 -0.648 0.000 1.072 447 T HN 0.665 nan 8.240 nan 0.000 0.473 448 Q N 1.428 121.148 119.800 -0.133 0.000 2.271 448 Q HA 0.530 4.870 4.340 -0.001 0.000 0.268 448 Q C -1.389 174.514 176.000 -0.161 0.000 1.021 448 Q CA -0.570 55.062 55.803 -0.285 0.000 0.802 448 Q CB 2.618 31.054 28.738 -0.504 0.000 1.282 448 Q HN 0.715 nan 8.270 nan 0.000 0.431 449 I N 3.743 124.184 120.570 -0.214 0.000 2.495 449 I HA 0.392 4.561 4.170 -0.001 0.000 0.277 449 I C -0.383 175.650 176.117 -0.140 0.000 1.045 449 I CA -0.239 60.832 61.300 -0.383 0.000 1.135 449 I CB 0.502 38.120 38.000 -0.636 0.000 1.241 449 I HN 0.760 nan 8.210 nan 0.000 0.469 450 H N 3.936 122.826 119.070 -0.301 0.000 3.075 450 H HA 0.652 5.207 4.556 -0.001 0.000 0.263 450 H C -1.222 174.033 175.328 -0.122 0.000 1.549 450 H CA -1.331 54.612 56.048 -0.177 0.000 1.192 450 H CB 1.353 31.032 29.762 -0.138 0.000 1.898 450 H HN 0.115 nan 8.280 nan 0.000 0.696 451 R N 1.377 121.672 120.500 -0.342 0.000 2.515 451 R HA 0.267 4.607 4.340 -0.001 0.000 0.291 451 R C -1.679 174.409 176.300 -0.355 0.000 1.046 451 R CA -0.588 55.314 56.100 -0.329 0.000 0.914 451 R CB 1.635 31.873 30.300 -0.104 0.000 1.191 451 R HN 0.906 nan 8.270 nan 0.000 0.435 452 D N 0.711 120.900 120.400 -0.351 0.000 2.497 452 D HA 0.528 5.167 4.640 -0.001 0.000 0.243 452 D C -0.288 175.998 176.300 -0.024 0.000 1.039 452 D CA -0.837 53.058 54.000 -0.176 0.000 1.052 452 D CB 0.646 41.359 40.800 -0.145 0.000 1.344 452 D HN 0.393 nan 8.370 nan 0.000 0.553 453 A N -0.289 122.538 122.820 0.012 0.000 2.587 453 A HA 0.368 4.687 4.320 -0.001 0.000 0.235 453 A C -0.727 176.925 177.584 0.113 0.000 1.044 453 A CA 0.237 52.329 52.037 0.092 0.000 0.754 453 A CB -0.658 18.423 19.000 0.135 0.000 0.968 453 A HN 0.498 nan 8.150 nan 0.000 0.509 454 F N 1.411 121.298 119.950 -0.106 0.000 2.608 454 F HA 0.491 5.017 4.527 -0.001 0.000 0.309 454 F C 0.182 175.796 175.800 -0.311 0.000 1.103 454 F CA -0.162 57.659 58.000 -0.300 0.000 0.954 454 F CB 2.031 40.693 39.000 -0.562 0.000 1.267 454 F HN 0.587 nan 8.300 nan 0.000 0.444 455 S N 4.025 119.185 115.700 -0.901 0.000 2.464 455 S HA 0.444 4.913 4.470 -0.001 0.000 0.313 455 S C -1.171 173.154 174.600 -0.459 0.000 1.078 455 S CA -0.444 57.459 58.200 -0.495 0.000 1.096 455 S CB -0.411 62.559 63.200 -0.384 0.000 1.032 455 S HN 0.463 nan 8.310 nan 0.000 0.498 456 Y N 2.370 122.734 120.300 0.107 0.000 2.377 456 Y HA 0.472 5.021 4.550 -0.001 0.000 0.330 456 Y C 1.569 177.533 175.900 0.106 0.000 1.108 456 Y CA 0.252 58.502 58.100 0.250 0.000 1.308 456 Y CB 0.386 39.003 38.460 0.261 0.000 1.216 456 Y HN 0.864 nan 8.280 nan 0.000 0.518 457 G N 1.112 110.062 108.800 0.251 0.000 2.690 457 G HA2 0.225 4.184 3.960 -0.001 0.000 0.239 457 G HA3 0.225 4.184 3.960 -0.001 0.000 0.239 457 G C 0.922 175.913 174.900 0.152 0.000 1.233 457 G CA -0.039 45.153 45.100 0.153 0.000 0.847 457 G HN 0.919 nan 8.290 nan 0.000 0.588 458 A N 0.329 123.206 122.820 0.096 0.000 1.940 458 A HA -0.027 4.292 4.320 -0.001 0.000 0.219 458 A C 2.508 180.135 177.584 0.072 0.000 1.176 458 A CA 1.956 54.039 52.037 0.076 0.000 0.631 458 A CB -0.428 18.602 19.000 0.051 0.000 0.814 458 A HN 0.559 nan 8.150 nan 0.000 0.446 459 V N -0.248 119.712 119.914 0.077 0.000 2.379 459 V HA -0.264 3.855 4.120 -0.001 0.000 0.245 459 V C 2.559 178.697 176.094 0.073 0.000 1.044 459 V CA 2.023 64.361 62.300 0.064 0.000 1.036 459 V CB -0.843 31.016 31.823 0.060 0.000 0.664 459 V HN 0.631 nan 8.190 nan 0.000 0.453 460 Q N -0.452 119.420 119.800 0.120 0.000 2.170 460 Q HA -0.227 4.112 4.340 -0.001 0.000 0.203 460 Q C 2.245 178.265 176.000 0.033 0.000 0.976 460 Q CA 1.251 57.134 55.803 0.133 0.000 0.858 460 Q CB -0.193 28.742 28.738 0.328 0.000 0.907 460 Q HN 0.648 nan 8.270 nan 0.000 0.433 461 Q N -0.198 119.638 119.800 0.060 0.000 2.439 461 Q HA -0.087 4.253 4.340 -0.001 0.000 0.211 461 Q C 1.885 177.873 176.000 -0.019 0.000 0.978 461 Q CA 0.572 56.374 55.803 -0.002 0.000 0.897 461 Q CB -0.007 28.762 28.738 0.051 0.000 0.956 461 Q HN 0.184 nan 8.270 nan 0.000 0.483 462 S N -0.114 115.586 115.700 -0.000 0.000 2.453 462 S HA -0.025 4.444 4.470 -0.001 0.000 0.231 462 S C 0.801 175.389 174.600 -0.020 0.000 1.005 462 S CA 0.200 58.398 58.200 -0.003 0.000 0.949 462 S CB 0.227 63.433 63.200 0.010 0.000 0.774 462 S HN 0.130 nan 8.310 nan 0.000 0.510 463 I N 2.705 123.248 120.570 -0.045 0.000 2.353 463 I HA 0.260 4.429 4.170 -0.001 0.000 0.293 463 I C 0.330 176.395 176.117 -0.086 0.000 0.992 463 I CA -1.055 60.212 61.300 -0.056 0.000 1.268 463 I CB 0.885 38.848 38.000 -0.062 0.000 1.387 463 I HN 0.140 nan 8.210 nan 0.000 0.478 464 D N 4.237 124.607 120.400 -0.050 0.000 2.487 464 D HA -0.049 4.590 4.640 -0.001 0.000 0.243 464 D C 1.139 177.393 176.300 -0.078 0.000 1.154 464 D CA 0.181 54.157 54.000 -0.040 0.000 0.876 464 D CB 1.174 41.975 40.800 0.002 0.000 1.161 464 D HN 0.627 nan 8.370 nan 0.000 0.478 465 S N 4.410 120.050 115.700 -0.099 0.000 2.419 465 S HA -0.191 4.278 4.470 -0.001 0.000 0.235 465 S C 1.713 176.278 174.600 -0.059 0.000 1.019 465 S CA 0.599 58.725 58.200 -0.124 0.000 0.982 465 S CB -0.073 63.071 63.200 -0.094 0.000 0.789 465 S HN 0.561 nan 8.310 nan 0.000 0.490 466 R N 0.852 121.335 120.500 -0.028 0.000 2.249 466 R HA 0.099 4.438 4.340 -0.001 0.000 0.230 466 R C 1.704 177.984 176.300 -0.033 0.000 1.121 466 R CA 1.108 57.191 56.100 -0.029 0.000 0.997 466 R CB -0.592 29.685 30.300 -0.039 0.000 0.867 466 R HN 0.474 nan 8.270 nan 0.000 0.465 467 L N 0.140 121.343 121.223 -0.033 0.000 2.418 467 L HA 0.120 4.460 4.340 -0.001 0.000 0.218 467 L C 0.711 177.577 176.870 -0.008 0.000 1.125 467 L CA 0.198 55.026 54.840 -0.020 0.000 0.835 467 L CB 0.064 42.111 42.059 -0.020 0.000 0.953 467 L HN 0.044 nan 8.230 nan 0.000 0.454 468 I N 0.287 120.844 120.570 -0.021 0.000 2.365 468 I HA 0.236 4.406 4.170 -0.001 0.000 0.291 468 I C -0.578 175.549 176.117 0.018 0.000 1.004 468 I CA -0.408 60.891 61.300 -0.002 0.000 1.311 468 I CB 1.759 39.735 38.000 -0.040 0.000 1.401 468 I HN -0.286 nan 8.210 nan 0.000 0.491 469 V N 4.914 124.862 119.914 0.056 0.000 2.588 469 V HA 0.318 4.438 4.120 -0.001 0.000 0.304 469 V C -0.734 175.357 176.094 -0.005 0.000 1.042 469 V CA -0.870 61.434 62.300 0.006 0.000 0.877 469 V CB 2.013 33.853 31.823 0.029 0.000 0.996 469 V HN 0.579 nan 8.190 nan 0.000 0.425 470 D N 2.613 122.935 120.400 -0.130 0.000 2.255 470 D HA 0.435 5.075 4.640 -0.001 0.000 0.249 470 D C -0.953 175.251 176.300 -0.159 0.000 1.078 470 D CA 0.118 54.070 54.000 -0.080 0.000 0.896 470 D CB 1.259 42.010 40.800 -0.081 0.000 1.194 470 D HN 0.458 nan 8.370 nan 0.000 0.429 471 W N 1.335 122.611 121.300 -0.040 0.000 2.538 471 W HA 0.440 5.099 4.660 -0.001 0.000 0.322 471 W C 0.188 176.753 176.519 0.077 0.000 1.028 471 W CA -0.832 56.533 57.345 0.033 0.000 1.228 471 W CB 1.284 30.634 29.460 -0.184 0.000 1.356 471 W HN -0.071 nan 8.180 nan 0.000 0.452 472 R N 3.048 123.786 120.500 0.397 0.000 2.483 472 R HA 0.497 4.837 4.340 -0.001 0.000 0.303 472 R C -1.537 174.949 176.300 0.310 0.000 0.987 472 R CA -0.843 55.378 56.100 0.202 0.000 0.881 472 R CB 1.593 31.980 30.300 0.145 0.000 1.177 472 R HN 0.171 nan 8.270 nan 0.000 0.451 473 F N 2.985 122.790 119.950 -0.242 0.000 2.469 473 F HA 0.510 5.036 4.527 -0.001 0.000 0.332 473 F C -0.339 175.355 175.800 -0.177 0.000 1.103 473 F CA -1.493 56.465 58.000 -0.071 0.000 0.979 473 F CB 1.124 40.030 39.000 -0.156 0.000 1.137 473 F HN 0.293 nan 8.300 nan 0.000 0.463 474 F N 1.229 121.366 119.950 0.312 0.000 2.449 474 F HA 0.646 5.172 4.527 -0.001 0.000 0.342 474 F C 0.650 176.664 175.800 0.356 0.000 1.127 474 F CA -1.201 56.984 58.000 0.309 0.000 0.975 474 F CB 1.441 40.676 39.000 0.392 0.000 1.146 474 F HN 0.514 nan 8.300 nan 0.000 0.444 475 G N 2.239 111.284 108.800 0.407 0.000 2.451 475 G HA2 0.613 4.572 3.960 -0.001 0.000 0.303 475 G HA3 0.613 4.572 3.960 -0.001 0.000 0.303 475 G C -0.670 174.429 174.900 0.332 0.000 1.166 475 G CA -1.009 44.321 45.100 0.383 0.000 0.884 475 G HN 0.703 nan 8.290 nan 0.000 0.514 476 R N -0.712 119.983 120.500 0.325 0.000 2.536 476 R HA 0.694 5.034 4.340 -0.001 0.000 0.279 476 R C -0.944 175.456 176.300 0.167 0.000 1.001 476 R CA -0.616 55.588 56.100 0.172 0.000 1.027 476 R CB 1.210 31.613 30.300 0.173 0.000 1.096 476 R HN 0.278 nan 8.270 nan 0.000 0.502 477 T N 1.307 115.921 114.554 0.100 0.000 2.840 477 T HA 0.122 4.471 4.350 -0.001 0.000 0.287 477 T C -0.909 173.867 174.700 0.126 0.000 0.991 477 T CA -0.658 61.553 62.100 0.186 0.000 0.964 477 T CB 1.389 70.435 68.868 0.296 0.000 0.954 477 T HN 0.667 nan 8.240 nan 0.000 0.438 478 E N 4.835 125.114 120.200 0.133 0.000 2.415 478 E HA 0.121 4.471 4.350 -0.001 0.000 0.263 478 E C -2.112 174.564 176.600 0.127 0.000 0.995 478 E CA -1.596 54.873 56.400 0.114 0.000 0.915 478 E CB 0.539 30.299 29.700 0.101 0.000 0.951 478 E HN 0.191 nan 8.360 nan 0.000 0.449 479 P HA 0.112 nan 4.420 nan 0.000 0.271 479 P C -1.192 176.270 177.300 0.270 0.000 1.226 479 P CA 0.047 63.288 63.100 0.234 0.000 0.765 479 P CB 0.709 32.560 31.700 0.252 0.000 0.835 480 K N 2.418 122.930 120.400 0.186 0.000 2.482 480 K HA 0.154 4.473 4.320 -0.001 0.000 0.251 480 K C 0.926 177.370 176.600 -0.260 0.000 0.936 480 K CA -0.679 55.632 56.287 0.041 0.000 0.791 480 K CB 2.193 34.665 32.500 -0.045 0.000 1.213 480 K HN 0.465 nan 8.250 nan 0.000 0.428 481 E N 2.245 122.137 120.200 -0.513 0.000 2.160 481 E HA -0.219 4.130 4.350 -0.001 0.000 0.195 481 E C 0.893 177.231 176.600 -0.438 0.000 0.991 481 E CA 1.614 57.440 56.400 -0.956 0.000 0.810 481 E CB 0.469 29.833 29.700 -0.560 0.000 0.742 481 E HN 0.544 nan 8.360 nan 0.000 0.466 482 E N 0.366 120.421 120.200 -0.242 0.000 2.347 482 E HA -0.111 4.238 4.350 -0.001 0.000 0.196 482 E C 0.009 176.541 176.600 -0.114 0.000 1.008 482 E CA 0.306 56.616 56.400 -0.149 0.000 0.852 482 E CB -0.300 29.331 29.700 -0.117 0.000 0.783 482 E HN 0.105 nan 8.360 nan 0.000 0.505 483 N N 1.945 120.564 118.700 -0.134 0.000 2.411 483 N HA 0.191 4.930 4.740 -0.001 0.000 0.259 483 N C -0.729 174.834 175.510 0.088 0.000 1.103 483 N CA 0.152 53.172 53.050 -0.051 0.000 0.954 483 N CB 1.181 39.583 38.487 -0.142 0.000 1.085 483 N HN 0.101 nan 8.380 nan 0.000 0.485 484 K N 1.096 121.610 120.400 0.189 0.000 2.469 484 K HA 0.451 4.771 4.320 -0.001 0.000 0.254 484 K C -1.207 175.552 176.600 0.265 0.000 0.939 484 K CA -0.885 55.532 56.287 0.217 0.000 0.812 484 K CB 2.317 34.953 32.500 0.226 0.000 1.301 484 K HN 0.182 nan 8.250 nan 0.000 0.433 485 L N 4.050 125.378 121.223 0.176 0.000 2.298 485 L HA 0.569 4.909 4.340 -0.001 0.000 0.284 485 L C -1.261 175.543 176.870 -0.110 0.000 1.013 485 L CA -0.099 54.675 54.840 -0.111 0.000 0.824 485 L CB 0.431 42.445 42.059 -0.075 0.000 1.221 485 L HN 0.672 nan 8.230 nan 0.000 0.418 486 W N 3.598 124.612 121.300 -0.476 0.000 2.967 486 W HA 0.655 5.314 4.660 -0.001 0.000 0.342 486 W C -2.030 173.983 176.519 -0.844 0.000 1.162 486 W CA -1.243 55.858 57.345 -0.408 0.000 1.085 486 W CB 0.789 30.170 29.460 -0.132 0.000 1.460 486 W HN 0.333 nan 8.180 nan 0.000 0.584 487 F N 1.381 121.505 119.950 0.291 0.000 2.540 487 F HA 0.350 4.877 4.527 -0.001 0.000 0.317 487 F C 0.780 176.738 175.800 0.263 0.000 1.104 487 F CA -0.989 57.075 58.000 0.107 0.000 0.913 487 F CB 2.058 41.103 39.000 0.075 0.000 1.170 487 F HN 0.247 nan 8.300 nan 0.000 0.450 488 S N 1.009 116.849 115.700 0.233 0.000 2.562 488 S HA 0.061 4.530 4.470 -0.001 0.000 0.281 488 S C 0.755 175.500 174.600 0.241 0.000 1.333 488 S CA -0.567 57.796 58.200 0.271 0.000 1.052 488 S CB 0.391 63.660 63.200 0.115 0.000 0.884 488 S HN 0.691 nan 8.310 nan 0.000 0.506 489 D N 3.027 123.557 120.400 0.218 0.000 2.340 489 D HA 0.120 4.760 4.640 -0.001 0.000 0.220 489 D C 1.029 177.393 176.300 0.106 0.000 1.039 489 D CA 0.471 54.558 54.000 0.144 0.000 0.866 489 D CB 0.209 41.077 40.800 0.113 0.000 0.913 489 D HN 0.342 nan 8.370 nan 0.000 0.523 490 K N -0.368 120.099 120.400 0.111 0.000 2.424 490 K HA 0.181 4.501 4.320 -0.001 0.000 0.200 490 K C 0.192 176.835 176.600 0.071 0.000 1.279 490 K CA 0.002 56.337 56.287 0.082 0.000 0.918 490 K CB 1.144 33.692 32.500 0.081 0.000 1.287 490 K HN 0.052 nan 8.250 nan 0.000 0.502 491 I N 3.022 123.637 120.570 0.074 0.000 2.440 491 I HA 0.154 4.323 4.170 -0.001 0.000 0.294 491 I C 0.559 176.712 176.117 0.060 0.000 0.995 491 I CA -0.128 61.205 61.300 0.054 0.000 1.306 491 I CB 1.162 39.183 38.000 0.035 0.000 1.407 491 I HN 0.096 nan 8.210 nan 0.000 0.501 492 T N 0.869 115.454 114.554 0.052 0.000 2.924 492 T HA 0.554 4.903 4.350 -0.001 0.000 0.291 492 T C -0.356 174.379 174.700 0.058 0.000 1.045 492 T CA -0.916 61.221 62.100 0.063 0.000 1.015 492 T CB 2.372 71.272 68.868 0.054 0.000 1.103 492 T HN 0.562 nan 8.240 nan 0.000 0.496 493 D N 0.610 121.060 120.400 0.084 0.000 2.440 493 D HA 0.428 5.068 4.640 -0.001 0.000 0.269 493 D C 1.510 177.850 176.300 0.068 0.000 1.249 493 D CA -0.440 53.617 54.000 0.094 0.000 1.055 493 D CB 0.087 40.980 40.800 0.155 0.000 1.104 493 D HN 0.655 nan 8.370 nan 0.000 0.561 494 A N -1.323 121.531 122.820 0.056 0.000 2.168 494 A HA -0.072 4.247 4.320 -0.001 0.000 0.215 494 A C 1.034 178.445 177.584 -0.288 0.000 1.152 494 A CA 0.700 52.670 52.037 -0.111 0.000 0.716 494 A CB -0.891 18.015 19.000 -0.156 0.000 0.794 494 A HN 0.540 nan 8.150 nan 0.000 0.465 495 Y N -1.199 119.114 120.300 0.021 0.000 2.658 495 Y HA 0.246 4.796 4.550 -0.001 0.000 0.276 495 Y C 0.696 176.610 175.900 0.024 0.000 1.167 495 Y CA -0.293 57.822 58.100 0.024 0.000 1.230 495 Y CB -0.398 38.060 38.460 -0.002 0.000 1.144 495 Y HN 0.438 nan 8.280 nan 0.000 0.529 496 N N 0.102 118.864 118.700 0.104 0.000 2.747 496 N HA -0.170 4.569 4.740 -0.001 0.000 0.249 496 N C -0.739 174.813 175.510 0.070 0.000 1.107 496 N CA 0.510 53.598 53.050 0.064 0.000 0.707 496 N CB -0.449 38.056 38.487 0.030 0.000 1.054 496 N HN 0.138 nan 8.380 nan 0.000 0.555 497 M N -0.356 119.301 119.600 0.095 0.000 2.644 497 M HA 0.452 4.931 4.480 -0.001 0.000 0.316 497 M C -2.200 174.157 176.300 0.094 0.000 1.200 497 M CA -2.012 53.331 55.300 0.072 0.000 0.944 497 M CB 0.930 33.568 32.600 0.063 0.000 1.691 497 M HN -0.258 nan 8.290 nan 0.000 0.471 498 P HA 0.010 nan 4.420 nan 0.000 0.264 498 P C -0.649 176.812 177.300 0.268 0.000 1.193 498 P CA 0.007 63.206 63.100 0.164 0.000 0.763 498 P CB 0.265 32.072 31.700 0.179 0.000 0.810 499 Q N 6.847 126.751 119.800 0.173 0.000 2.271 499 Q HA 0.137 4.477 4.340 -0.001 0.000 0.273 499 Q C -2.232 173.752 176.000 -0.027 0.000 1.051 499 Q CA -1.907 53.943 55.803 0.079 0.000 0.901 499 Q CB -0.322 28.409 28.738 -0.012 0.000 1.174 499 Q HN 0.292 nan 8.270 nan 0.000 0.385 500 P HA 0.095 nan 4.420 nan 0.000 0.271 500 P C -1.014 175.795 177.300 -0.819 0.000 1.216 500 P CA -0.093 62.598 63.100 -0.682 0.000 0.776 500 P CB 0.977 32.401 31.700 -0.460 0.000 0.881 501 T N 2.827 116.652 114.554 -1.215 0.000 2.971 501 T HA 0.491 4.840 4.350 -0.001 0.000 0.304 501 T C -0.695 173.307 174.700 -1.162 0.000 1.038 501 T CA -0.103 61.298 62.100 -1.164 0.000 1.007 501 T CB 0.484 68.323 68.868 -1.714 0.000 1.055 501 T HN 0.050 nan 8.240 nan 0.000 0.451 502 F N 1.983 121.657 119.950 -0.461 0.000 2.422 502 F HA 0.525 5.051 4.527 -0.001 0.000 0.333 502 F C 0.611 176.358 175.800 -0.088 0.000 1.095 502 F CA -0.973 56.883 58.000 -0.241 0.000 1.038 502 F CB 1.162 40.071 39.000 -0.151 0.000 1.156 502 F HN 0.390 nan 8.300 nan 0.000 0.483 503 D N 3.365 123.935 120.400 0.284 0.000 2.446 503 D HA 0.244 4.883 4.640 -0.001 0.000 0.251 503 D C -1.754 174.682 176.300 0.228 0.000 1.137 503 D CA -0.092 54.065 54.000 0.261 0.000 0.890 503 D CB 0.310 41.297 40.800 0.312 0.000 1.071 503 D HN 0.288 nan 8.370 nan 0.000 0.528 504 F N 3.284 123.232 119.950 -0.003 0.000 2.581 504 F HA 0.574 5.100 4.527 -0.001 0.000 0.311 504 F C -1.147 174.547 175.800 -0.175 0.000 1.113 504 F CA -0.609 57.320 58.000 -0.118 0.000 0.935 504 F CB 1.424 40.292 39.000 -0.219 0.000 1.232 504 F HN 0.043 nan 8.300 nan 0.000 0.445 505 R N 4.394 124.412 120.500 -0.803 0.000 2.651 505 R HA 0.332 4.672 4.340 -0.001 0.000 0.278 505 R C -1.630 174.112 176.300 -0.930 0.000 1.010 505 R CA -0.940 54.811 56.100 -0.582 0.000 0.896 505 R CB 1.731 31.874 30.300 -0.261 0.000 1.211 505 R HN 0.570 nan 8.270 nan 0.000 0.456 506 F N 3.027 122.805 119.950 -0.288 0.000 2.602 506 F HA 0.123 4.650 4.527 -0.001 0.000 0.385 506 F C -1.304 174.389 175.800 -0.179 0.000 1.063 506 F CA -0.868 57.033 58.000 -0.164 0.000 1.233 506 F CB -0.193 38.811 39.000 0.007 0.000 1.067 506 F HN 0.127 nan 8.300 nan 0.000 0.564 507 P HA 0.124 nan 4.420 nan 0.000 0.268 507 P C -0.497 176.820 177.300 0.028 0.000 1.204 507 P CA -0.158 62.924 63.100 -0.029 0.000 0.768 507 P CB 0.552 32.248 31.700 -0.007 0.000 0.842 508 A N 3.004 125.826 122.820 0.004 0.000 2.475 508 A HA 0.494 4.813 4.320 -0.001 0.000 0.239 508 A C 1.165 178.766 177.584 0.029 0.000 1.087 508 A CA 0.957 53.003 52.037 0.015 0.000 0.779 508 A CB -1.066 17.935 19.000 0.001 0.000 1.036 508 A HN 0.840 nan 8.150 nan 0.000 0.506 509 G N -0.067 108.752 108.800 0.031 0.000 2.503 509 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.235 509 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.235 509 G C 0.982 175.915 174.900 0.054 0.000 1.179 509 G CA 0.717 45.840 45.100 0.039 0.000 0.944 509 G HN 0.983 nan 8.290 nan 0.000 0.580 510 R N -0.256 120.283 120.500 0.064 0.000 2.096 510 R HA -0.102 4.237 4.340 -0.001 0.000 0.240 510 R C 2.872 179.233 176.300 0.101 0.000 1.139 510 R CA 2.844 58.993 56.100 0.082 0.000 0.952 510 R CB -0.963 29.387 30.300 0.084 0.000 0.854 510 R HN 0.637 nan 8.270 nan 0.000 0.436 511 T N 0.078 114.696 114.554 0.107 0.000 2.665 511 T HA -0.148 4.201 4.350 -0.001 0.000 0.268 511 T C 1.950 176.712 174.700 0.103 0.000 1.035 511 T CA 1.913 64.094 62.100 0.134 0.000 1.151 511 T CB -0.228 68.740 68.868 0.167 0.000 0.862 511 T HN 0.281 nan 8.240 nan 0.000 0.438 512 S N 0.470 116.214 115.700 0.073 0.000 2.355 512 S HA -0.040 4.430 4.470 -0.001 0.000 0.222 512 S C 2.029 176.645 174.600 0.026 0.000 1.031 512 S CA 1.098 59.312 58.200 0.023 0.000 0.993 512 S CB -0.215 62.992 63.200 0.012 0.000 0.859 512 S HN 0.503 nan 8.310 nan 0.000 0.453 513 K N 1.315 121.746 120.400 0.053 0.000 2.044 513 K HA -0.168 4.151 4.320 -0.001 0.000 0.210 513 K C 1.961 178.624 176.600 0.106 0.000 1.049 513 K CA 1.656 57.984 56.287 0.068 0.000 0.927 513 K CB -0.126 32.418 32.500 0.074 0.000 0.713 513 K HN 0.355 nan 8.250 nan 0.000 0.443 514 E N -0.352 119.937 120.200 0.149 0.000 2.106 514 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 514 E C 1.956 178.665 176.600 0.181 0.000 0.984 514 E CA 0.809 57.363 56.400 0.257 0.000 0.806 514 E CB -0.074 29.808 29.700 0.303 0.000 0.750 514 E HN 0.461 nan 8.360 nan 0.000 0.458 515 A N 1.417 124.307 122.820 0.116 0.000 1.902 515 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 515 A C 2.086 179.754 177.584 0.141 0.000 1.181 515 A CA 1.779 53.876 52.037 0.101 0.000 0.623 515 A CB -0.338 18.675 19.000 0.022 0.000 0.818 515 A HN 0.123 nan 8.150 nan 0.000 0.443 516 E N 0.429 120.688 120.200 0.097 0.000 2.107 516 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 516 E C 1.262 177.860 176.600 -0.002 0.000 0.982 516 E CA 1.403 57.864 56.400 0.100 0.000 0.809 516 E CB -0.290 29.436 29.700 0.044 0.000 0.756 516 E HN 0.506 nan 8.360 nan 0.000 0.459 517 D N -0.172 120.223 120.400 -0.008 0.000 2.178 517 D HA -0.150 4.489 4.640 -0.001 0.000 0.202 517 D C 1.885 177.959 176.300 -0.376 0.000 0.974 517 D CA 1.009 54.992 54.000 -0.030 0.000 0.841 517 D CB -0.267 40.648 40.800 0.192 0.000 0.953 517 D HN 0.318 nan 8.370 nan 0.000 0.478 518 M N -0.232 118.946 119.600 -0.705 0.000 2.132 518 M HA -0.174 4.305 4.480 -0.001 0.000 0.263 518 M C 2.036 177.918 176.300 -0.696 0.000 1.065 518 M CA 1.145 55.646 55.300 -1.331 0.000 1.122 518 M CB 0.027 32.116 32.600 -0.852 0.000 1.365 518 M HN -0.052 nan 8.290 nan 0.000 0.411 519 M N 0.369 119.695 119.600 -0.458 0.000 2.080 519 M HA -0.163 4.317 4.480 -0.001 0.000 0.260 519 M C 1.781 177.877 176.300 -0.339 0.000 1.068 519 M CA 2.393 57.426 55.300 -0.445 0.000 1.109 519 M CB -1.002 31.406 32.600 -0.320 0.000 1.342 519 M HN 0.262 nan 8.290 nan 0.000 0.405 520 T N 0.117 114.541 114.554 -0.216 0.000 2.684 520 T HA -0.180 4.169 4.350 -0.001 0.000 0.267 520 T C 1.502 176.135 174.700 -0.112 0.000 1.036 520 T CA 1.880 63.904 62.100 -0.127 0.000 1.148 520 T CB -0.627 68.211 68.868 -0.049 0.000 0.863 520 T HN 0.540 nan 8.240 nan 0.000 0.436 521 D N 0.410 120.745 120.400 -0.108 0.000 2.123 521 D HA -0.069 4.570 4.640 -0.001 0.000 0.196 521 D C 2.073 178.373 176.300 -0.001 0.000 0.992 521 D CA 0.892 54.943 54.000 0.084 0.000 0.833 521 D CB -0.226 40.735 40.800 0.268 0.000 0.954 521 D HN 0.282 nan 8.370 nan 0.000 0.455 522 M N -0.488 118.872 119.600 -0.401 0.000 2.086 522 M HA -0.197 4.282 4.480 -0.001 0.000 0.261 522 M C 2.041 178.045 176.300 -0.494 0.000 1.067 522 M CA 1.399 56.178 55.300 -0.869 0.000 1.116 522 M CB -0.176 31.698 32.600 -1.211 0.000 1.348 522 M HN 0.213 nan 8.290 nan 0.000 0.407 523 C N -0.423 118.686 119.300 -0.319 0.000 2.413 523 C HA -0.139 4.321 4.460 -0.001 0.000 0.276 523 C C 2.662 177.558 174.990 -0.157 0.000 1.236 523 C CA 1.005 59.943 59.018 -0.133 0.000 1.735 523 C CB -1.095 26.623 27.740 -0.037 0.000 2.031 523 C HN 0.506 nan 8.230 nan 0.000 0.474 524 V N 0.425 120.280 119.914 -0.097 0.000 2.307 524 V HA -0.280 3.840 4.120 -0.001 0.000 0.245 524 V C 2.387 178.463 176.094 -0.029 0.000 1.045 524 V CA 2.251 64.523 62.300 -0.046 0.000 1.024 524 V CB -0.662 31.188 31.823 0.045 0.000 0.651 524 V HN 0.586 nan 8.190 nan 0.000 0.449 525 M N 0.736 120.366 119.600 0.051 0.000 2.132 525 M HA -0.155 4.324 4.480 -0.001 0.000 0.263 525 M C 2.459 178.654 176.300 -0.175 0.000 1.065 525 M CA 2.223 57.636 55.300 0.188 0.000 1.122 525 M CB -0.181 32.683 32.600 0.440 0.000 1.365 525 M HN 0.552 nan 8.290 nan 0.000 0.411 526 S N 0.445 115.716 115.700 -0.715 0.000 2.399 526 S HA -0.053 4.416 4.470 -0.001 0.000 0.231 526 S C 1.965 176.161 174.600 -0.673 0.000 1.022 526 S CA 0.955 58.301 58.200 -1.423 0.000 0.983 526 S CB -0.795 61.265 63.200 -1.901 0.000 0.803 526 S HN 0.560 nan 8.310 nan 0.000 0.480 527 A N 2.051 124.585 122.820 -0.477 0.000 2.070 527 A HA -0.015 4.304 4.320 -0.001 0.000 0.220 527 A C 2.141 179.597 177.584 -0.213 0.000 1.159 527 A CA 1.364 53.178 52.037 -0.371 0.000 0.656 527 A CB -0.572 18.233 19.000 -0.325 0.000 0.800 527 A HN 0.657 nan 8.150 nan 0.000 0.453 528 K N -0.645 119.676 120.400 -0.132 0.000 2.283 528 K HA -0.017 4.302 4.320 -0.001 0.000 0.202 528 K C 1.133 177.729 176.600 -0.006 0.000 1.048 528 K CA 0.900 57.159 56.287 -0.046 0.000 0.948 528 K CB -0.030 32.484 32.500 0.022 0.000 0.742 528 K HN 0.406 nan 8.250 nan 0.000 0.458 529 I N -0.870 119.710 120.570 0.017 0.000 3.172 529 I HA 0.167 4.336 4.170 -0.001 0.000 0.278 529 I C 1.074 177.206 176.117 0.024 0.000 1.174 529 I CA 0.534 61.892 61.300 0.096 0.000 1.445 529 I CB 0.066 38.266 38.000 0.334 0.000 1.175 529 I HN 0.117 nan 8.210 nan 0.000 0.447 530 G N -0.661 108.097 108.800 -0.070 0.000 2.328 530 G HA2 0.461 4.420 3.960 -0.001 0.000 0.295 530 G HA3 0.461 4.420 3.960 -0.001 0.000 0.295 530 G C -0.639 174.119 174.900 -0.237 0.000 1.413 530 G CA -0.169 44.869 45.100 -0.104 0.000 0.817 530 G HN 0.279 nan 8.290 nan 0.000 0.546 531 G N -1.175 107.484 108.800 -0.234 0.000 2.580 531 G HA2 0.563 4.522 3.960 -0.001 0.000 0.278 531 G HA3 0.563 4.522 3.960 -0.001 0.000 0.278 531 G C -0.335 174.386 174.900 -0.298 0.000 1.212 531 G CA -0.589 44.278 45.100 -0.388 0.000 0.939 531 G HN 0.437 nan 8.290 nan 0.000 0.513 532 F N -0.767 119.086 119.950 -0.161 0.000 2.563 532 F HA 0.201 4.728 4.527 -0.001 0.000 0.363 532 F C 0.726 176.462 175.800 -0.107 0.000 1.123 532 F CA -0.788 57.111 58.000 -0.169 0.000 1.307 532 F CB 0.697 39.591 39.000 -0.176 0.000 1.115 532 F HN 0.128 nan 8.300 nan 0.000 0.592 533 L N 6.137 127.424 121.223 0.108 0.000 2.361 533 L HA 0.374 4.713 4.340 -0.001 0.000 0.278 533 L C -2.376 174.532 176.870 0.065 0.000 1.113 533 L CA -1.952 52.925 54.840 0.062 0.000 0.849 533 L CB 0.027 42.114 42.059 0.046 0.000 1.155 533 L HN 0.295 nan 8.230 nan 0.000 0.452 534 P HA 0.221 nan 4.420 nan 0.000 0.265 534 P C 0.607 177.951 177.300 0.073 0.000 1.193 534 P CA 0.946 64.080 63.100 0.057 0.000 0.765 534 P CB 0.708 32.437 31.700 0.049 0.000 0.823 535 G N 1.975 110.814 108.800 0.064 0.000 2.241 535 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.244 535 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.244 535 G C 0.488 175.466 174.900 0.129 0.000 0.998 535 G CA 0.228 45.389 45.100 0.101 0.000 0.621 535 G HN 0.530 nan 8.290 nan 0.000 0.519 536 S N 0.926 116.669 115.700 0.071 0.000 2.474 536 S HA 0.529 4.999 4.470 -0.001 0.000 0.224 536 S C 0.378 174.867 174.600 -0.185 0.000 1.209 536 S CA -0.551 57.668 58.200 0.032 0.000 1.212 536 S CB 0.278 63.465 63.200 -0.022 0.000 1.137 536 S HN 0.474 nan 8.310 nan 0.000 0.446 537 L N 2.807 123.916 121.223 -0.190 0.000 2.453 537 L HA 0.362 4.701 4.340 -0.001 0.000 0.261 537 L C -1.918 174.639 176.870 -0.521 0.000 1.179 537 L CA -2.190 52.398 54.840 -0.420 0.000 0.813 537 L CB 0.016 41.900 42.059 -0.291 0.000 1.110 537 L HN 0.105 nan 8.230 nan 0.000 0.466 538 P HA -0.017 nan 4.420 nan 0.000 0.264 538 P C -1.467 175.596 177.300 -0.394 0.000 1.193 538 P CA 0.158 62.859 63.100 -0.665 0.000 0.763 538 P CB 0.540 31.753 31.700 -0.810 0.000 0.810 539 Q N 1.790 121.399 119.800 -0.319 0.000 2.472 539 Q HA 0.458 4.797 4.340 -0.001 0.000 0.281 539 Q C -1.469 174.383 176.000 -0.247 0.000 0.997 539 Q CA -0.890 54.810 55.803 -0.173 0.000 0.828 539 Q CB 0.600 29.311 28.738 -0.045 0.000 1.443 539 Q HN 0.111 nan 8.270 nan 0.000 0.390 540 F N 1.532 121.425 119.950 -0.096 0.000 2.429 540 F HA 0.315 4.841 4.527 -0.001 0.000 0.348 540 F C 0.548 176.313 175.800 -0.057 0.000 1.109 540 F CA -0.220 57.724 58.000 -0.094 0.000 1.232 540 F CB 0.925 39.860 39.000 -0.107 0.000 1.157 540 F HN 0.411 nan 8.300 nan 0.000 0.564 541 M N 1.626 121.279 119.600 0.088 0.000 2.342 541 M HA 0.157 4.637 4.480 -0.001 0.000 0.332 541 M C 0.150 176.492 176.300 0.069 0.000 1.166 541 M CA -0.723 54.597 55.300 0.033 0.000 1.086 541 M CB 0.750 33.322 32.600 -0.046 0.000 1.541 541 M HN 0.598 nan 8.290 nan 0.000 0.462 542 E N 2.992 123.210 120.200 0.029 0.000 2.568 542 E HA -0.031 4.319 4.350 -0.001 0.000 0.262 542 E C -2.164 174.457 176.600 0.035 0.000 0.961 542 E CA -1.008 55.407 56.400 0.026 0.000 0.945 542 E CB 0.331 30.021 29.700 -0.017 0.000 0.924 542 E HN 0.222 nan 8.360 nan 0.000 0.467 543 P HA 0.025 nan 4.420 nan 0.000 0.263 543 P C 0.312 177.536 177.300 -0.127 0.000 1.195 543 P CA 1.247 64.381 63.100 0.057 0.000 0.762 543 P CB 0.690 32.388 31.700 -0.004 0.000 0.799 544 G N 2.648 111.369 108.800 -0.132 0.000 2.225 544 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.254 544 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.254 544 G C 0.834 175.668 174.900 -0.111 0.000 0.988 544 G CA 0.265 45.242 45.100 -0.205 0.000 0.625 544 G HN 0.537 nan 8.290 nan 0.000 0.527 545 L N 0.957 122.134 121.223 -0.076 0.000 2.129 545 L HA 0.058 4.397 4.340 -0.001 0.000 0.212 545 L C 2.821 179.655 176.870 -0.060 0.000 1.087 545 L CA 2.629 57.430 54.840 -0.065 0.000 0.757 545 L CB -0.346 41.672 42.059 -0.067 0.000 0.896 545 L HN 0.511 nan 8.230 nan 0.000 0.434 546 V N -0.253 119.624 119.914 -0.061 0.000 2.720 546 V HA -0.166 3.954 4.120 -0.001 0.000 0.256 546 V C 1.572 177.570 176.094 -0.160 0.000 1.082 546 V CA 1.179 63.416 62.300 -0.104 0.000 1.101 546 V CB -0.326 31.463 31.823 -0.057 0.000 0.693 546 V HN 0.491 nan 8.190 nan 0.000 0.479 547 L N 0.065 121.266 121.223 -0.037 0.000 3.634 547 L HA -0.251 4.088 4.340 -0.001 0.000 0.423 547 L C 0.340 177.365 176.870 0.259 0.000 1.253 547 L CA 0.877 55.758 54.840 0.068 0.000 0.885 547 L CB -2.443 39.672 42.059 0.094 0.000 1.789 547 L HN 0.579 nan 8.230 nan 0.000 0.904 548 H N -0.725 118.443 119.070 0.163 0.000 2.475 548 H HA 0.251 4.806 4.556 -0.001 0.000 0.276 548 H C 0.602 176.068 175.328 0.230 0.000 1.126 548 H CA -1.071 55.122 56.048 0.242 0.000 1.023 548 H CB 0.677 30.633 29.762 0.324 0.000 1.669 548 H HN 0.209 nan 8.280 nan 0.000 0.573 549 L N 2.057 123.421 121.223 0.234 0.000 2.601 549 L HA 0.109 4.448 4.340 -0.001 0.000 0.277 549 L C 0.614 177.615 176.870 0.218 0.000 1.219 549 L CA 0.852 55.780 54.840 0.146 0.000 0.915 549 L CB 0.185 42.288 42.059 0.073 0.000 1.160 549 L HN 0.287 nan 8.230 nan 0.000 0.494 550 G N 2.002 110.941 108.800 0.232 0.000 2.798 550 G HA2 0.548 4.507 3.960 -0.001 0.000 0.286 550 G HA3 0.548 4.507 3.960 -0.001 0.000 0.286 550 G C 0.362 175.367 174.900 0.175 0.000 1.389 550 G CA -0.324 44.932 45.100 0.261 0.000 0.894 550 G HN 1.337 nan 8.290 nan 0.000 0.488 551 G N -1.410 107.467 108.800 0.128 0.000 2.184 551 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.264 551 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.264 551 G C 1.384 176.352 174.900 0.113 0.000 0.975 551 G CA 1.647 46.828 45.100 0.136 0.000 0.642 551 G HN 1.874 nan 8.290 nan 0.000 0.536 552 T N -1.891 112.682 114.554 0.030 0.000 2.995 552 T HA 0.125 4.475 4.350 -0.001 0.000 0.269 552 T C 1.097 175.878 174.700 0.134 0.000 1.091 552 T CA 1.856 64.012 62.100 0.094 0.000 1.128 552 T CB -0.294 68.637 68.868 0.104 0.000 0.891 552 T HN 1.445 nan 8.240 nan 0.000 0.492 553 H N -0.089 119.059 119.070 0.130 0.000 2.712 553 H HA 0.473 5.028 4.556 -0.001 0.000 0.226 553 H C -0.056 175.318 175.328 0.076 0.000 1.422 553 H CA -1.336 54.763 56.048 0.085 0.000 1.270 553 H CB -0.278 29.497 29.762 0.021 0.000 1.891 553 H HN 0.350 nan 8.280 nan 0.000 0.518 554 R N 0.641 121.231 120.500 0.150 0.000 2.679 554 R HA 0.315 4.655 4.340 -0.001 0.000 0.269 554 R C -0.332 176.029 176.300 0.102 0.000 1.076 554 R CA -0.743 55.417 56.100 0.100 0.000 1.160 554 R CB 0.993 31.348 30.300 0.092 0.000 1.054 554 R HN 0.465 nan 8.270 nan 0.000 0.507 555 M N 1.104 120.740 119.600 0.060 0.000 2.288 555 M HA 0.462 4.942 4.480 -0.001 0.000 0.334 555 M C -0.501 175.796 176.300 -0.004 0.000 1.150 555 M CA 0.227 55.537 55.300 0.016 0.000 1.118 555 M CB 1.637 34.222 32.600 -0.025 0.000 1.501 555 M HN 0.939 nan 8.290 nan 0.000 0.462 556 G N 1.967 110.767 108.800 0.001 0.000 2.559 556 G HA2 0.400 4.359 3.960 -0.001 0.000 0.291 556 G HA3 0.400 4.359 3.960 -0.001 0.000 0.291 556 G C -0.933 173.959 174.900 -0.012 0.000 1.424 556 G CA -0.717 44.340 45.100 -0.072 0.000 0.786 556 G HN 0.689 nan 8.290 nan 0.000 0.485 557 F N -0.096 119.953 119.950 0.165 0.000 2.293 557 F HA 0.244 4.770 4.527 -0.001 0.000 0.297 557 F C 1.160 177.082 175.800 0.203 0.000 1.089 557 F CA 1.007 59.107 58.000 0.167 0.000 1.377 557 F CB 0.588 39.647 39.000 0.098 0.000 1.051 557 F HN 0.301 nan 8.300 nan 0.000 0.511 558 D N -0.332 120.229 120.400 0.270 0.000 2.863 558 D HA 0.050 4.690 4.640 -0.001 0.000 0.245 558 D C 0.599 176.763 176.300 -0.226 0.000 1.211 558 D CA -0.113 53.903 54.000 0.026 0.000 0.888 558 D CB 1.747 42.577 40.800 0.049 0.000 1.483 558 D HN 0.180 nan 8.370 nan 0.000 0.533 559 E N 3.419 123.151 120.200 -0.778 0.000 2.065 559 E HA -0.266 4.083 4.350 -0.001 0.000 0.201 559 E C 1.530 177.958 176.600 -0.287 0.000 1.016 559 E CA 1.535 57.441 56.400 -0.823 0.000 0.818 559 E CB 0.283 29.312 29.700 -1.118 0.000 0.749 559 E HN 0.455 nan 8.360 nan 0.000 0.453 560 K N 0.152 120.426 120.400 -0.210 0.000 2.007 560 K HA -0.150 4.170 4.320 -0.001 0.000 0.206 560 K C 2.012 178.581 176.600 -0.051 0.000 1.047 560 K CA 1.613 57.846 56.287 -0.090 0.000 0.937 560 K CB 0.003 32.465 32.500 -0.064 0.000 0.718 560 K HN 0.131 nan 8.250 nan 0.000 0.438 561 E N 0.355 120.530 120.200 -0.042 0.000 2.106 561 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 561 E C 0.827 177.427 176.600 0.000 0.000 0.984 561 E CA 1.051 57.449 56.400 -0.003 0.000 0.806 561 E CB 0.078 29.791 29.700 0.021 0.000 0.750 561 E HN 0.396 nan 8.360 nan 0.000 0.458 562 D N 0.268 120.663 120.400 -0.008 0.000 2.363 562 D HA 0.059 4.699 4.640 -0.001 0.000 0.214 562 D C -0.616 175.626 176.300 -0.096 0.000 1.093 562 D CA -0.044 53.947 54.000 -0.016 0.000 0.837 562 D CB 0.074 40.901 40.800 0.046 0.000 0.948 562 D HN 0.083 nan 8.370 nan 0.000 0.507 563 N N 0.612 119.256 118.700 -0.094 0.000 2.688 563 N HA -0.188 4.551 4.740 -0.001 0.000 0.258 563 N C -0.275 175.180 175.510 -0.092 0.000 1.016 563 N CA 0.567 53.546 53.050 -0.119 0.000 0.747 563 N CB -1.502 36.789 38.487 -0.327 0.000 0.895 563 N HN 0.408 nan 8.380 nan 0.000 0.543 564 C N -3.567 115.749 119.300 0.026 0.000 3.213 564 C HA 0.780 5.239 4.460 -0.001 0.000 0.319 564 C C 1.378 176.558 174.990 0.317 0.000 1.386 564 C CA -0.679 58.427 59.018 0.147 0.000 1.494 564 C CB 1.577 29.420 27.740 0.173 0.000 1.905 564 C HN 0.479 nan 8.230 nan 0.000 0.456 565 C N 0.228 119.741 119.300 0.354 0.000 3.123 565 C HA 0.488 4.947 4.460 -0.001 0.000 0.399 565 C C 0.739 175.825 174.990 0.160 0.000 1.320 565 C CA 0.618 59.839 59.018 0.338 0.000 1.949 565 C CB -0.400 27.454 27.740 0.189 0.000 2.692 565 C HN 0.958 nan 8.230 nan 0.000 0.623 566 V N 1.180 121.072 119.914 -0.036 0.000 3.074 566 V HA 0.727 4.846 4.120 -0.001 0.000 0.314 566 V C -0.812 174.932 176.094 -0.583 0.000 1.117 566 V CA -0.630 61.395 62.300 -0.459 0.000 1.014 566 V CB 1.569 33.251 31.823 -0.234 0.000 1.057 566 V HN 0.397 nan 8.190 nan 0.000 0.438 567 N N 0.326 118.562 118.700 -0.775 0.000 2.476 567 N HA 0.269 5.009 4.740 -0.001 0.000 0.287 567 N C 1.014 176.396 175.510 -0.214 0.000 1.262 567 N CA 0.206 53.020 53.050 -0.394 0.000 0.980 567 N CB 0.119 38.400 38.487 -0.344 0.000 1.163 567 N HN 0.949 nan 8.380 nan 0.000 0.592 568 T N -4.479 109.992 114.554 -0.139 0.000 3.098 568 T HA -0.023 4.326 4.350 -0.001 0.000 0.266 568 T C 0.130 174.764 174.700 -0.110 0.000 1.145 568 T CA 0.742 62.762 62.100 -0.134 0.000 1.092 568 T CB -0.411 68.397 68.868 -0.100 0.000 0.908 568 T HN 0.466 nan 8.240 nan 0.000 0.526 569 D N 0.951 121.278 120.400 -0.121 0.000 2.328 569 D HA 0.184 4.824 4.640 -0.001 0.000 0.221 569 D C 0.562 176.865 176.300 0.005 0.000 1.072 569 D CA 0.126 54.072 54.000 -0.091 0.000 0.850 569 D CB 0.136 40.774 40.800 -0.269 0.000 0.922 569 D HN 0.341 nan 8.370 nan 0.000 0.516 570 S N 0.192 115.863 115.700 -0.048 0.000 3.490 570 S HA -0.242 4.227 4.470 -0.001 0.000 0.301 570 S C 0.526 175.093 174.600 -0.055 0.000 1.233 570 S CA 0.450 58.656 58.200 0.010 0.000 0.914 570 S CB -1.290 62.006 63.200 0.161 0.000 1.047 570 S HN 0.468 nan 8.310 nan 0.000 0.602 571 R N 1.144 121.481 120.500 -0.272 0.000 2.349 571 R HA 0.500 4.839 4.340 -0.001 0.000 0.299 571 R C -0.059 175.908 176.300 -0.555 0.000 1.027 571 R CA -0.440 55.297 56.100 -0.605 0.000 0.958 571 R CB 0.738 30.636 30.300 -0.669 0.000 1.047 571 R HN 0.128 nan 8.270 nan 0.000 0.468 572 V N 5.915 125.534 119.914 -0.491 0.000 2.585 572 V HA 0.020 4.139 4.120 -0.001 0.000 0.296 572 V C 0.146 176.158 176.094 -0.138 0.000 1.035 572 V CA 0.155 62.261 62.300 -0.324 0.000 1.084 572 V CB -0.030 31.599 31.823 -0.324 0.000 0.953 572 V HN 0.565 nan 8.190 nan 0.000 0.483 573 F N 3.826 123.815 119.950 0.065 0.000 2.623 573 F HA 0.386 4.912 4.527 -0.001 0.000 0.383 573 F C 1.565 177.503 175.800 0.230 0.000 1.077 573 F CA 1.459 59.525 58.000 0.111 0.000 1.268 573 F CB -0.139 38.921 39.000 0.101 0.000 1.053 573 F HN 0.798 nan 8.300 nan 0.000 0.571 574 G N 2.195 111.184 108.800 0.316 0.000 2.241 574 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.244 574 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.244 574 G C -0.127 174.713 174.900 -0.099 0.000 0.998 574 G CA -0.487 44.681 45.100 0.114 0.000 0.621 574 G HN 0.436 nan 8.290 nan 0.000 0.519 575 F N 0.962 120.936 119.950 0.040 0.000 2.444 575 F HA 0.625 5.151 4.527 -0.001 0.000 0.342 575 F C 1.316 177.109 175.800 -0.013 0.000 1.121 575 F CA -1.026 56.986 58.000 0.019 0.000 0.997 575 F CB 1.711 40.722 39.000 0.019 0.000 1.130 575 F HN -0.254 nan 8.300 nan 0.000 0.454 576 K N 1.732 122.240 120.400 0.179 0.000 2.211 576 K HA -0.069 4.250 4.320 -0.001 0.000 0.203 576 K C 0.795 177.607 176.600 0.353 0.000 1.050 576 K CA 0.991 57.417 56.287 0.232 0.000 0.945 576 K CB -0.037 32.605 32.500 0.237 0.000 0.732 576 K HN 0.673 nan 8.250 nan 0.000 0.451 577 N N -0.063 118.822 118.700 0.308 0.000 2.305 577 N HA 0.032 4.772 4.740 -0.001 0.000 0.248 577 N C -0.684 174.961 175.510 0.226 0.000 1.290 577 N CA -0.342 52.955 53.050 0.412 0.000 0.873 577 N CB -0.078 38.706 38.487 0.495 0.000 1.261 577 N HN -0.073 nan 8.380 nan 0.000 0.504 578 L N 0.569 121.696 121.223 -0.159 0.000 2.356 578 L HA 0.709 5.049 4.340 -0.001 0.000 0.277 578 L C -1.805 174.697 176.870 -0.614 0.000 0.996 578 L CA -0.604 54.112 54.840 -0.206 0.000 0.822 578 L CB 0.965 42.882 42.059 -0.237 0.000 1.256 578 L HN -0.040 nan 8.230 nan 0.000 0.413 579 F N 4.836 124.707 119.950 -0.132 0.000 2.563 579 F HA 0.673 5.199 4.527 -0.001 0.000 0.316 579 F C -0.642 175.007 175.800 -0.251 0.000 1.076 579 F CA -0.680 57.223 58.000 -0.162 0.000 0.921 579 F CB 1.931 40.873 39.000 -0.097 0.000 1.209 579 F HN 0.192 nan 8.300 nan 0.000 0.462 580 L N 1.997 123.176 121.223 -0.073 0.000 2.362 580 L HA 0.847 5.186 4.340 -0.001 0.000 0.275 580 L C 0.019 176.893 176.870 0.007 0.000 0.998 580 L CA -0.768 53.956 54.840 -0.193 0.000 0.820 580 L CB 1.817 43.607 42.059 -0.448 0.000 1.270 580 L HN 0.775 nan 8.230 nan 0.000 0.415 581 G N 0.616 109.430 108.800 0.024 0.000 2.481 581 G HA2 0.820 4.779 3.960 -0.001 0.000 0.315 581 G HA3 0.820 4.779 3.960 -0.001 0.000 0.315 581 G C -0.458 174.567 174.900 0.208 0.000 1.231 581 G CA -0.344 44.885 45.100 0.215 0.000 0.968 581 G HN 0.954 nan 8.290 nan 0.000 0.482 582 G N -1.376 107.540 108.800 0.193 0.000 2.353 582 G HA2 0.081 4.040 3.960 -0.001 0.000 0.424 582 G HA3 0.081 4.040 3.960 -0.001 0.000 0.424 582 G C 0.678 175.636 174.900 0.097 0.000 1.320 582 G CA 0.028 45.218 45.100 0.150 0.000 0.995 582 G HN 1.130 nan 8.290 nan 0.000 0.580 583 C N 0.593 119.926 119.300 0.056 0.000 2.419 583 C HA 0.203 4.662 4.460 -0.001 0.000 0.283 583 C C 3.045 178.020 174.990 -0.024 0.000 1.373 583 C CA 1.712 60.744 59.018 0.022 0.000 1.781 583 C CB -1.329 26.453 27.740 0.071 0.000 1.886 583 C HN 1.281 nan 8.230 nan 0.000 0.520 584 G N 1.441 110.137 108.800 -0.174 0.000 2.485 584 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.221 584 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.221 584 G C 1.420 175.990 174.900 -0.550 0.000 1.115 584 G CA 0.930 45.649 45.100 -0.634 0.000 0.751 584 G HN 0.556 nan 8.290 nan 0.000 0.567 585 N N 0.343 118.929 118.700 -0.190 0.000 2.309 585 N HA 0.005 4.744 4.740 -0.001 0.000 0.182 585 N C 0.949 176.481 175.510 0.038 0.000 1.018 585 N CA 0.201 53.275 53.050 0.039 0.000 0.876 585 N CB -0.034 38.519 38.487 0.109 0.000 0.972 585 N HN 0.315 nan 8.380 nan 0.000 0.434 586 I N 3.022 123.615 120.570 0.038 0.000 2.505 586 I HA 0.025 4.194 4.170 -0.001 0.000 0.287 586 I C -1.357 174.860 176.117 0.166 0.000 1.104 586 I CA -0.938 60.416 61.300 0.091 0.000 1.387 586 I CB 1.220 39.230 38.000 0.018 0.000 1.404 586 I HN -0.050 nan 8.210 nan 0.000 0.528 587 P HA 0.074 nan 4.420 nan 0.000 0.267 587 P C 0.186 177.578 177.300 0.154 0.000 1.289 587 P CA 0.167 63.342 63.100 0.126 0.000 0.866 587 P CB 0.252 31.985 31.700 0.054 0.000 1.309 588 T N -2.341 112.344 114.554 0.219 0.000 2.923 588 T HA 0.698 5.047 4.350 -0.001 0.000 0.281 588 T C 0.163 174.985 174.700 0.203 0.000 0.995 588 T CA -0.895 61.314 62.100 0.182 0.000 0.985 588 T CB 1.183 70.139 68.868 0.147 0.000 1.114 588 T HN 0.054 nan 8.240 nan 0.000 0.548 589 A N 1.706 124.579 122.820 0.089 0.000 2.347 589 A HA 0.603 4.922 4.320 -0.001 0.000 0.287 589 A C -0.658 176.876 177.584 -0.083 0.000 1.199 589 A CA -0.813 51.222 52.037 -0.004 0.000 0.851 589 A CB -0.946 18.079 19.000 0.043 0.000 1.118 589 A HN 0.852 nan 8.150 nan 0.000 0.525 590 Y N -0.421 119.782 120.300 -0.163 0.000 2.512 590 Y HA 0.712 5.262 4.550 -0.001 0.000 0.348 590 Y C 0.754 176.512 175.900 -0.237 0.000 0.990 590 Y CA -0.709 57.093 58.100 -0.496 0.000 1.033 590 Y CB 1.460 39.410 38.460 -0.851 0.000 1.259 590 Y HN 0.384 nan 8.280 nan 0.000 0.461 591 G N 0.478 109.187 108.800 -0.153 0.000 2.743 591 G HA2 0.395 4.354 3.960 -0.001 0.000 0.206 591 G HA3 0.395 4.354 3.960 -0.001 0.000 0.206 591 G C 0.463 175.474 174.900 0.186 0.000 1.115 591 G CA 0.180 45.408 45.100 0.214 0.000 0.782 591 G HN 0.951 nan 8.290 nan 0.000 0.524 592 A N 0.734 123.476 122.820 -0.129 0.000 2.386 592 A HA 0.468 4.787 4.320 -0.001 0.000 0.246 592 A C -0.033 177.457 177.584 -0.157 0.000 1.089 592 A CA -0.405 51.434 52.037 -0.330 0.000 0.790 592 A CB 0.062 18.874 19.000 -0.313 0.000 1.042 592 A HN 0.353 nan 8.150 nan 0.000 0.497 593 N N 1.495 119.964 118.700 -0.385 0.000 2.497 593 N HA 0.293 5.033 4.740 -0.001 0.000 0.268 593 N C -2.049 173.349 175.510 -0.187 0.000 1.171 593 N CA -1.006 51.793 53.050 -0.418 0.000 0.948 593 N CB 0.547 38.859 38.487 -0.293 0.000 1.069 593 N HN 0.395 nan 8.380 nan 0.000 0.460 594 P HA 0.018 nan 4.420 nan 0.000 0.245 594 P C 0.540 177.733 177.300 -0.178 0.000 1.203 594 P CA 0.628 63.611 63.100 -0.195 0.000 0.792 594 P CB 0.307 31.879 31.700 -0.215 0.000 0.997 595 T N 1.042 115.571 114.554 -0.042 0.000 2.720 595 T HA -0.149 4.200 4.350 -0.001 0.000 0.268 595 T C 1.733 176.520 174.700 0.145 0.000 1.037 595 T CA 1.103 63.242 62.100 0.065 0.000 1.144 595 T CB -0.810 68.124 68.868 0.111 0.000 0.864 595 T HN 0.027 nan 8.240 nan 0.000 0.444 596 L N 0.938 122.255 121.223 0.157 0.000 2.083 596 L HA -0.069 4.271 4.340 -0.001 0.000 0.209 596 L C 2.487 179.448 176.870 0.150 0.000 1.083 596 L CA 1.699 56.690 54.840 0.251 0.000 0.752 596 L CB -0.968 41.212 42.059 0.202 0.000 0.899 596 L HN 0.170 nan 8.230 nan 0.000 0.433 597 T N -0.385 114.122 114.554 -0.078 0.000 2.777 597 T HA -0.112 4.237 4.350 -0.001 0.000 0.266 597 T C 1.912 176.530 174.700 -0.137 0.000 1.040 597 T CA 1.204 63.163 62.100 -0.235 0.000 1.141 597 T CB -0.452 67.803 68.868 -1.022 0.000 0.868 597 T HN 0.515 nan 8.240 nan 0.000 0.444 598 A N 1.495 124.241 122.820 -0.123 0.000 1.940 598 A HA -0.074 4.245 4.320 -0.001 0.000 0.219 598 A C 2.302 179.866 177.584 -0.033 0.000 1.176 598 A CA 1.815 53.822 52.037 -0.049 0.000 0.631 598 A CB -0.720 18.273 19.000 -0.013 0.000 0.814 598 A HN 0.531 nan 8.150 nan 0.000 0.446 599 M N -0.339 119.253 119.600 -0.013 0.000 2.175 599 M HA -0.130 4.349 4.480 -0.001 0.000 0.264 599 M C 2.087 178.311 176.300 -0.127 0.000 1.063 599 M CA 1.998 57.263 55.300 -0.057 0.000 1.119 599 M CB -0.146 32.429 32.600 -0.043 0.000 1.377 599 M HN 0.369 nan 8.290 nan 0.000 0.415 600 S N 1.156 116.779 115.700 -0.129 0.000 2.370 600 S HA -0.135 4.335 4.470 -0.001 0.000 0.226 600 S C 1.734 176.148 174.600 -0.310 0.000 1.033 600 S CA 1.410 59.462 58.200 -0.247 0.000 1.011 600 S CB -0.516 62.482 63.200 -0.336 0.000 0.852 600 S HN 0.525 nan 8.310 nan 0.000 0.457 601 L N 0.893 121.976 121.223 -0.233 0.000 2.141 601 L HA -0.066 4.273 4.340 -0.001 0.000 0.209 601 L C 2.727 179.473 176.870 -0.206 0.000 1.094 601 L CA 0.991 55.698 54.840 -0.222 0.000 0.763 601 L CB -0.641 41.358 42.059 -0.099 0.000 0.908 601 L HN 0.318 nan 8.230 nan 0.000 0.437 602 A N 0.431 123.123 122.820 -0.213 0.000 1.898 602 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 602 A C 2.211 179.486 177.584 -0.516 0.000 1.181 602 A CA 1.274 53.070 52.037 -0.402 0.000 0.620 602 A CB -0.537 18.238 19.000 -0.375 0.000 0.819 602 A HN 0.318 nan 8.150 nan 0.000 0.442 603 I N -0.384 119.979 120.570 -0.345 0.000 2.179 603 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 603 I C 2.532 178.490 176.117 -0.265 0.000 1.088 603 I CA 1.964 63.092 61.300 -0.287 0.000 1.357 603 I CB -0.267 37.585 38.000 -0.247 0.000 1.051 603 I HN 0.383 nan 8.210 nan 0.000 0.409 604 K N 0.598 120.838 120.400 -0.267 0.000 2.063 604 K HA -0.244 4.075 4.320 -0.001 0.000 0.208 604 K C 2.347 178.860 176.600 -0.144 0.000 1.048 604 K CA 1.952 58.110 56.287 -0.215 0.000 0.928 604 K CB -0.167 32.171 32.500 -0.270 0.000 0.713 604 K HN 0.141 nan 8.250 nan 0.000 0.442 605 S N -0.104 115.493 115.700 -0.172 0.000 2.359 605 S HA -0.180 4.289 4.470 -0.001 0.000 0.224 605 S C 2.063 176.560 174.600 -0.172 0.000 1.035 605 S CA 1.512 59.647 58.200 -0.108 0.000 1.018 605 S CB -0.544 62.614 63.200 -0.071 0.000 0.876 605 S HN 0.591 nan 8.310 nan 0.000 0.448 606 C N 1.608 120.717 119.300 -0.319 0.000 2.422 606 C HA -0.003 4.457 4.460 -0.001 0.000 0.279 606 C C 2.490 177.393 174.990 -0.145 0.000 1.305 606 C CA 0.707 59.553 59.018 -0.288 0.000 1.757 606 C CB -1.481 26.049 27.740 -0.351 0.000 1.962 606 C HN 0.680 nan 8.230 nan 0.000 0.499 607 E N -0.593 119.546 120.200 -0.102 0.000 2.077 607 E HA -0.258 4.091 4.350 -0.001 0.000 0.193 607 E C 1.840 178.446 176.600 0.011 0.000 0.989 607 E CA 1.520 57.894 56.400 -0.044 0.000 0.800 607 E CB -0.318 29.352 29.700 -0.049 0.000 0.746 607 E HN 0.846 nan 8.360 nan 0.000 0.452 608 Y N 1.247 121.510 120.300 -0.061 0.000 2.200 608 Y HA -0.160 4.389 4.550 -0.001 0.000 0.290 608 Y C 1.948 177.873 175.900 0.041 0.000 1.137 608 Y CA 1.269 59.377 58.100 0.013 0.000 1.163 608 Y CB -0.101 38.402 38.460 0.071 0.000 0.988 608 Y HN -0.072 nan 8.280 nan 0.000 0.518 609 I N 0.332 120.950 120.570 0.079 0.000 2.226 609 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 609 I C 2.252 178.411 176.117 0.071 0.000 1.100 609 I CA 1.581 62.899 61.300 0.030 0.000 1.374 609 I CB -0.368 37.434 38.000 -0.330 0.000 1.057 609 I HN 0.150 nan 8.210 nan 0.000 0.413 610 K N 0.299 120.707 120.400 0.013 0.000 2.283 610 K HA -0.153 4.167 4.320 -0.001 0.000 0.202 610 K C 1.889 178.541 176.600 0.088 0.000 1.048 610 K CA 0.982 57.349 56.287 0.134 0.000 0.948 610 K CB -0.030 32.523 32.500 0.089 0.000 0.742 610 K HN 0.474 nan 8.250 nan 0.000 0.458 611 Q N -0.387 119.393 119.800 -0.034 0.000 2.408 611 Q HA 0.074 4.413 4.340 -0.001 0.000 0.205 611 Q C 0.906 176.802 176.000 -0.174 0.000 0.919 611 Q CA 0.418 56.159 55.803 -0.102 0.000 0.932 611 Q CB 0.490 29.139 28.738 -0.149 0.000 1.058 611 Q HN 0.289 nan 8.270 nan 0.000 0.517 612 N N -0.854 117.722 118.700 -0.207 0.000 2.159 612 N HA 0.168 4.907 4.740 -0.001 0.000 0.217 612 N C -0.842 174.366 175.510 -0.503 0.000 1.223 612 N CA 0.245 53.059 53.050 -0.393 0.000 0.896 612 N CB 0.998 39.087 38.487 -0.663 0.000 1.064 612 N HN -0.007 nan 8.380 nan 0.000 0.518 613 F N 0.244 120.226 119.950 0.054 0.000 2.599 613 F HA 0.356 4.882 4.527 -0.001 0.000 0.311 613 F C 0.034 175.973 175.800 0.233 0.000 1.076 613 F CA -0.719 57.372 58.000 0.151 0.000 0.937 613 F CB 1.941 41.042 39.000 0.169 0.000 1.282 613 F HN -0.380 nan 8.300 nan 0.000 0.460 614 T N 3.141 117.896 114.554 0.336 0.000 2.779 614 T HA 0.432 4.782 4.350 -0.001 0.000 0.280 614 T C -2.679 172.063 174.700 0.070 0.000 0.987 614 T CA -1.502 60.681 62.100 0.138 0.000 0.966 614 T CB 1.352 70.257 68.868 0.062 0.000 0.933 614 T HN 0.103 nan 8.240 nan 0.000 0.442 615 P HA 0.165 nan 4.420 nan 0.000 0.268 615 P C 0.062 177.311 177.300 -0.085 0.000 1.205 615 P CA -0.474 62.418 63.100 -0.346 0.000 0.771 615 P CB 0.276 31.584 31.700 -0.653 0.000 0.858 616 S N 3.470 119.174 115.700 0.008 0.000 2.566 616 S HA 0.205 4.674 4.470 -0.001 0.000 0.280 616 S C -2.133 172.480 174.600 0.022 0.000 1.343 616 S CA -0.889 57.326 58.200 0.024 0.000 1.036 616 S CB -1.084 62.137 63.200 0.036 0.000 0.866 616 S HN 0.293 nan 8.310 nan 0.000 0.526 617 P HA 0.188 nan 4.420 nan 0.000 0.268 617 P C -0.752 176.603 177.300 0.092 0.000 1.205 617 P CA -0.402 62.728 63.100 0.050 0.000 0.771 617 P CB 0.108 31.825 31.700 0.028 0.000 0.858 618 F N 3.082 123.018 119.950 -0.023 0.000 2.434 618 F HA 0.272 4.798 4.527 -0.001 0.000 0.358 618 F C 0.016 175.810 175.800 -0.011 0.000 1.136 618 F CA 0.607 58.598 58.000 -0.014 0.000 1.157 618 F CB 0.151 39.143 39.000 -0.013 0.000 1.167 618 F HN 0.174 nan 8.300 nan 0.000 0.539 619 T N 0.000 114.291 114.554 -0.438 0.000 3.816 619 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 619 T CA 0.000 61.922 62.100 -0.296 0.000 1.349 619 T CB 0.000 68.778 68.868 -0.149 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658