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 1tt0_1_A DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE 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 0.000 176.296 176.300 -0.007 0.000 1.140 43 M CA 0.000 55.313 55.300 0.021 0.000 0.988 43 M CB 0.000 32.393 32.600 -0.345 0.000 1.302 44 D N 3.130 123.569 120.400 0.065 0.000 2.371 44 D HA 0.321 4.961 4.640 -0.000 0.000 0.242 44 D C 1.203 177.443 176.300 -0.099 0.000 1.218 44 D CA -0.003 53.920 54.000 -0.128 0.000 0.945 44 D CB 0.791 41.358 40.800 -0.387 0.000 1.137 44 D HN 0.687 nan 8.370 nan 0.000 0.464 45 I N -2.391 118.100 120.570 -0.133 0.000 3.956 45 I HA 0.256 4.426 4.170 -0.000 0.000 0.333 45 I C 0.261 176.349 176.117 -0.049 0.000 1.302 45 I CA -0.216 61.057 61.300 -0.044 0.000 1.122 45 I CB -0.469 37.512 38.000 -0.033 0.000 1.013 45 I HN -0.023 nan 8.210 nan 0.000 0.405 46 K N 0.726 120.972 120.400 -0.257 0.000 2.471 46 K HA 0.590 4.910 4.320 -0.000 0.000 0.252 46 K C -1.853 174.431 176.600 -0.528 0.000 0.938 46 K CA -0.571 55.584 56.287 -0.220 0.000 0.796 46 K CB 1.119 33.534 32.500 -0.142 0.000 1.161 46 K HN 0.086 nan 8.250 nan 0.000 0.425 47 Y N 1.147 121.443 120.300 -0.007 0.000 2.602 47 Y HA 0.276 4.826 4.550 -0.000 0.000 0.342 47 Y C 0.797 176.681 175.900 -0.028 0.000 1.029 47 Y CA -0.727 57.364 58.100 -0.014 0.000 1.080 47 Y CB 1.757 40.210 38.460 -0.011 0.000 1.284 47 Y HN 0.615 nan 8.280 nan 0.000 0.485 48 D N 0.112 120.605 120.400 0.155 0.000 2.097 48 D HA 0.002 4.642 4.640 -0.000 0.000 0.197 48 D C -0.287 176.018 176.300 0.010 0.000 0.984 48 D CA 1.510 55.584 54.000 0.123 0.000 0.826 48 D CB 0.206 41.158 40.800 0.253 0.000 0.973 48 D HN 0.111 nan 8.370 nan 0.000 0.460 49 V N 0.982 120.902 119.914 0.010 0.000 2.638 49 V HA 0.375 4.495 4.120 -0.000 0.000 0.306 49 V C -0.338 175.685 176.094 -0.119 0.000 1.052 49 V CA -1.043 61.176 62.300 -0.135 0.000 0.885 49 V CB 2.522 34.248 31.823 -0.161 0.000 0.999 49 V HN -0.010 nan 8.190 nan 0.000 0.424 50 V N 2.913 122.710 119.914 -0.195 0.000 2.495 50 V HA 0.754 4.874 4.120 -0.000 0.000 0.298 50 V C -0.666 175.388 176.094 -0.067 0.000 1.031 50 V CA -0.598 61.645 62.300 -0.095 0.000 0.871 50 V CB 1.705 33.548 31.823 0.033 0.000 0.988 50 V HN 0.689 nan 8.190 nan 0.000 0.432 51 I N 4.273 124.822 120.570 -0.034 0.000 2.406 51 I HA 0.501 4.671 4.170 -0.000 0.000 0.290 51 I C -0.591 175.553 176.117 0.045 0.000 0.999 51 I CA -0.959 60.306 61.300 -0.058 0.000 1.124 51 I CB 2.272 40.219 38.000 -0.087 0.000 1.289 51 I HN 0.436 nan 8.210 nan 0.000 0.441 52 V N 5.467 125.394 119.914 0.021 0.000 2.333 52 V HA 0.786 4.906 4.120 -0.000 0.000 0.274 52 V C 0.435 176.537 176.094 0.014 0.000 1.028 52 V CA -0.253 62.081 62.300 0.057 0.000 0.851 52 V CB 0.577 32.407 31.823 0.011 0.000 1.000 52 V HN 1.067 nan 8.190 nan 0.000 0.456 53 G N 3.996 112.817 108.800 0.036 0.000 2.906 53 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.686 53 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.686 53 G C -0.030 174.884 174.900 0.023 0.000 1.170 53 G CA -0.221 44.891 45.100 0.021 0.000 0.775 53 G HN 1.300 nan 8.290 nan 0.000 0.630 54 S N 0.988 116.704 115.700 0.027 0.000 2.664 54 S HA 0.602 5.072 4.470 -0.000 0.000 0.245 54 S C 1.323 175.932 174.600 0.015 0.000 1.019 54 S CA 0.767 58.990 58.200 0.038 0.000 0.996 54 S CB 0.585 63.819 63.200 0.056 0.000 0.878 54 S HN 1.995 nan 8.310 nan 0.000 0.493 55 G N 2.856 111.654 108.800 -0.004 0.000 2.631 55 G HA2 0.352 4.312 3.960 -0.000 0.000 0.271 55 G HA3 0.352 4.312 3.960 -0.000 0.000 0.271 55 G C -1.004 173.871 174.900 -0.043 0.000 1.302 55 G CA -1.096 43.981 45.100 -0.037 0.000 1.002 55 G HN 0.248 nan 8.290 nan 0.000 0.519 56 P HA -0.085 nan 4.420 nan 0.000 0.220 56 P C 1.680 178.928 177.300 -0.087 0.000 1.148 56 P CA 0.836 63.889 63.100 -0.079 0.000 0.803 56 P CB 0.180 31.856 31.700 -0.039 0.000 0.782 57 I N 0.086 120.637 120.570 -0.031 0.000 2.277 57 I HA -0.031 4.139 4.170 -0.000 0.000 0.243 57 I C 2.751 178.926 176.117 0.097 0.000 1.094 57 I CA 1.540 62.854 61.300 0.024 0.000 1.393 57 I CB -2.298 35.745 38.000 0.071 0.000 1.078 57 I HN -0.001 nan 8.210 nan 0.000 0.417 58 G N 0.527 109.364 108.800 0.061 0.000 2.440 58 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 58 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 58 G C 1.788 176.690 174.900 0.004 0.000 1.154 58 G CA 1.087 46.216 45.100 0.047 0.000 0.767 58 G HN 0.404 nan 8.290 nan 0.000 0.552 59 C N 0.609 119.886 119.300 -0.038 0.000 2.419 59 C HA -0.006 4.454 4.460 -0.000 0.000 0.281 59 C C 3.195 178.061 174.990 -0.207 0.000 1.336 59 C CA 1.430 60.383 59.018 -0.108 0.000 1.770 59 C CB -1.063 26.661 27.740 -0.027 0.000 1.929 59 C HN 0.461 nan 8.230 nan 0.000 0.509 60 T N -0.042 114.416 114.554 -0.160 0.000 2.674 60 T HA -0.166 4.184 4.350 -0.000 0.000 0.265 60 T C 1.476 176.029 174.700 -0.245 0.000 1.039 60 T CA 1.657 63.633 62.100 -0.207 0.000 1.150 60 T CB -0.454 68.311 68.868 -0.172 0.000 0.864 60 T HN 0.560 nan 8.240 nan 0.000 0.427 61 Y N 1.487 121.655 120.300 -0.220 0.000 2.165 61 Y HA -0.096 4.453 4.550 -0.000 0.000 0.286 61 Y C 2.729 178.424 175.900 -0.342 0.000 1.155 61 Y CA 0.980 58.931 58.100 -0.247 0.000 1.164 61 Y CB -0.630 37.705 38.460 -0.207 0.000 0.978 61 Y HN 0.208 nan 8.280 nan 0.000 0.513 62 A N 0.089 122.725 122.820 -0.306 0.000 1.873 62 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 62 A C 2.271 179.283 177.584 -0.954 0.000 1.186 62 A CA 1.700 53.310 52.037 -0.712 0.000 0.616 62 A CB -0.758 17.578 19.000 -1.107 0.000 0.823 62 A HN 0.416 nan 8.150 nan 0.000 0.442 63 R N -0.376 119.624 120.500 -0.833 0.000 2.096 63 R HA -0.188 4.152 4.340 -0.000 0.000 0.240 63 R C 2.069 178.175 176.300 -0.324 0.000 1.139 63 R CA 1.898 57.685 56.100 -0.522 0.000 0.952 63 R CB -0.257 29.749 30.300 -0.490 0.000 0.854 63 R HN 0.562 nan 8.270 nan 0.000 0.436 64 E N 0.364 120.399 120.200 -0.276 0.000 2.047 64 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 64 E C 2.138 178.675 176.600 -0.105 0.000 0.987 64 E CA 1.314 57.622 56.400 -0.154 0.000 0.799 64 E CB -0.110 29.491 29.700 -0.166 0.000 0.752 64 E HN 0.433 nan 8.360 nan 0.000 0.449 65 L N 0.271 121.408 121.223 -0.143 0.000 2.202 65 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 65 L C 2.532 179.454 176.870 0.086 0.000 1.083 65 L CA 0.240 55.042 54.840 -0.062 0.000 0.790 65 L CB -0.254 41.670 42.059 -0.225 0.000 0.942 65 L HN -0.063 nan 8.230 nan 0.000 0.452 66 V N 0.606 120.489 119.914 -0.052 0.000 2.343 66 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 66 V C 2.654 178.792 176.094 0.072 0.000 1.051 66 V CA 2.033 64.353 62.300 0.034 0.000 1.036 66 V CB -1.233 30.554 31.823 -0.060 0.000 0.654 66 V HN 0.556 nan 8.190 nan 0.000 0.451 67 G N -0.362 108.450 108.800 0.019 0.000 2.450 67 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.220 67 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.220 67 G C 1.427 176.361 174.900 0.056 0.000 1.130 67 G CA 0.874 45.994 45.100 0.034 0.000 0.760 67 G HN 0.645 nan 8.290 nan 0.000 0.557 68 A N -0.536 122.347 122.820 0.104 0.000 2.307 68 A HA 0.506 4.826 4.320 -0.000 0.000 0.218 68 A C 1.848 179.478 177.584 0.077 0.000 1.228 68 A CA 1.127 53.243 52.037 0.133 0.000 0.857 68 A CB -0.370 18.775 19.000 0.241 0.000 0.897 68 A HN 1.554 nan 8.150 nan 0.000 0.495 69 G N -2.134 106.711 108.800 0.076 0.000 2.157 69 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.239 69 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.239 69 G C -0.057 174.812 174.900 -0.051 0.000 0.982 69 G CA 0.088 45.187 45.100 -0.002 0.000 0.650 69 G HN 0.392 nan 8.290 nan 0.000 0.527 70 Y N 0.514 120.847 120.300 0.055 0.000 2.336 70 Y HA 0.446 4.996 4.550 -0.000 0.000 0.331 70 Y C 1.102 177.051 175.900 0.081 0.000 1.211 70 Y CA 0.036 58.168 58.100 0.054 0.000 1.346 70 Y CB 0.774 39.246 38.460 0.020 0.000 1.271 70 Y HN 0.068 nan 8.280 nan 0.000 0.538 71 K N 2.895 123.423 120.400 0.212 0.000 2.292 71 K HA 0.417 4.737 4.320 -0.000 0.000 0.290 71 K C -1.549 175.200 176.600 0.247 0.000 1.083 71 K CA -0.132 56.272 56.287 0.195 0.000 0.918 71 K CB 0.033 32.606 32.500 0.121 0.000 1.089 71 K HN 0.485 nan 8.250 nan 0.000 0.473 72 V N 3.003 123.044 119.914 0.211 0.000 2.555 72 V HA 0.639 4.759 4.120 -0.000 0.000 0.302 72 V C -0.397 175.609 176.094 -0.148 0.000 1.038 72 V CA -0.929 61.428 62.300 0.095 0.000 0.887 72 V CB 1.558 33.481 31.823 0.166 0.000 0.991 72 V HN 0.883 nan 8.190 nan 0.000 0.434 73 A N 5.343 127.906 122.820 -0.428 0.000 2.365 73 A HA 0.952 5.272 4.320 -0.000 0.000 0.318 73 A C -0.757 176.466 177.584 -0.602 0.000 1.091 73 A CA -0.628 50.914 52.037 -0.824 0.000 0.763 73 A CB 1.734 19.890 19.000 -1.407 0.000 1.248 73 A HN 0.908 nan 8.150 nan 0.000 0.442 74 M N 2.070 121.231 119.600 -0.731 0.000 2.393 74 M HA 0.754 5.234 4.480 -0.000 0.000 0.299 74 M C -2.201 173.741 176.300 -0.597 0.000 1.103 74 M CA -0.435 54.619 55.300 -0.410 0.000 0.910 74 M CB 1.315 33.871 32.600 -0.073 0.000 1.659 74 M HN 0.598 nan 8.290 nan 0.000 0.445 75 F N 2.230 122.174 119.950 -0.010 0.000 2.520 75 F HA 0.554 5.081 4.527 -0.000 0.000 0.322 75 F C -0.214 175.583 175.800 -0.004 0.000 1.103 75 F CA -0.551 57.462 58.000 0.021 0.000 0.926 75 F CB 1.533 40.528 39.000 -0.009 0.000 1.154 75 F HN 0.451 nan 8.300 nan 0.000 0.453 76 D N 2.791 123.283 120.400 0.153 0.000 2.780 76 D HA 0.252 4.891 4.640 -0.000 0.000 0.242 76 D C 0.579 176.901 176.300 0.038 0.000 1.135 76 D CA -0.345 53.696 54.000 0.069 0.000 0.859 76 D CB 2.544 43.367 40.800 0.038 0.000 1.530 76 D HN 0.647 nan 8.370 nan 0.000 0.493 77 I N 1.881 122.423 120.570 -0.046 0.000 2.493 77 I HA 0.023 4.193 4.170 -0.000 0.000 0.254 77 I C 1.133 177.202 176.117 -0.079 0.000 1.160 77 I CA 0.847 62.068 61.300 -0.131 0.000 1.445 77 I CB 0.171 37.972 38.000 -0.331 0.000 1.086 77 I HN 0.338 nan 8.210 nan 0.000 0.433 78 G N -0.202 108.574 108.800 -0.039 0.000 2.568 78 G HA2 0.429 4.389 3.960 -0.000 0.000 0.293 78 G HA3 0.429 4.389 3.960 -0.000 0.000 0.293 78 G C -0.941 173.976 174.900 0.028 0.000 1.347 78 G CA -0.422 44.682 45.100 0.007 0.000 1.039 78 G HN 0.285 nan 8.290 nan 0.000 0.523 79 E N -1.401 118.822 120.200 0.038 0.000 2.320 79 E HA 0.368 4.718 4.350 -0.000 0.000 0.264 79 E C -0.521 176.103 176.600 0.040 0.000 0.923 79 E CA -0.754 55.670 56.400 0.040 0.000 0.796 79 E CB 2.591 32.318 29.700 0.045 0.000 1.262 79 E HN 0.273 nan 8.360 nan 0.000 0.428 80 I N 2.609 123.201 120.570 0.036 0.000 2.517 80 I HA 0.008 4.178 4.170 -0.000 0.000 0.285 80 I C -0.033 176.111 176.117 0.045 0.000 1.106 80 I CA 0.689 62.011 61.300 0.037 0.000 1.402 80 I CB 0.068 38.085 38.000 0.029 0.000 1.399 80 I HN 0.543 nan 8.210 nan 0.000 0.535 81 D N 2.734 123.166 120.400 0.054 0.000 3.120 81 D HA 0.022 4.662 4.640 -0.000 0.000 0.331 81 D C 0.063 176.413 176.300 0.084 0.000 1.595 81 D CA -0.258 53.781 54.000 0.064 0.000 0.771 81 D CB -0.057 40.780 40.800 0.061 0.000 1.274 81 D HN 0.262 nan 8.370 nan 0.000 0.503 82 S N -0.595 115.157 115.700 0.086 0.000 2.603 82 S HA 0.643 5.113 4.470 -0.000 0.000 0.232 82 S C 0.816 175.485 174.600 0.115 0.000 1.016 82 S CA 0.184 58.452 58.200 0.113 0.000 0.976 82 S CB 1.169 64.432 63.200 0.106 0.000 0.921 82 S HN 0.896 nan 8.310 nan 0.000 0.516 83 G N 0.967 109.820 108.800 0.090 0.000 2.434 83 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.671 83 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.671 83 G C 0.007 174.940 174.900 0.055 0.000 1.280 83 G CA -0.634 44.513 45.100 0.079 0.000 0.975 83 G HN 0.161 nan 8.290 nan 0.000 0.510 84 L N -0.073 121.176 121.223 0.043 0.000 2.395 84 L HA 0.129 4.469 4.340 -0.000 0.000 0.218 84 L C 1.507 178.387 176.870 0.017 0.000 1.130 84 L CA 0.787 55.642 54.840 0.025 0.000 0.826 84 L CB -0.315 41.753 42.059 0.016 0.000 0.941 84 L HN 0.305 nan 8.230 nan 0.000 0.451 85 K N 1.936 122.354 120.400 0.031 0.000 2.262 85 K HA 0.298 4.618 4.320 -0.000 0.000 0.288 85 K C -0.201 176.417 176.600 0.030 0.000 1.090 85 K CA -0.181 56.120 56.287 0.024 0.000 0.918 85 K CB 0.686 33.215 32.500 0.047 0.000 1.139 85 K HN 0.114 nan 8.250 nan 0.000 0.462 86 I N 1.851 122.424 120.570 0.005 0.000 2.598 86 I HA -0.059 4.111 4.170 -0.000 0.000 0.284 86 I C 1.355 177.487 176.117 0.025 0.000 1.140 86 I CA 0.736 62.045 61.300 0.014 0.000 1.420 86 I CB 0.469 38.469 38.000 -0.001 0.000 1.387 86 I HN 0.947 nan 8.210 nan 0.000 0.553 87 G N 4.238 113.063 108.800 0.042 0.000 2.148 87 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.254 87 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.254 87 G C 0.302 175.242 174.900 0.066 0.000 0.981 87 G CA 0.039 45.166 45.100 0.045 0.000 0.670 87 G HN 0.957 nan 8.290 nan 0.000 0.528 88 A N -0.345 122.531 122.820 0.092 0.000 2.272 88 A HA 0.630 4.950 4.320 -0.000 0.000 0.275 88 A C 0.553 178.245 177.584 0.180 0.000 1.096 88 A CA -0.301 51.825 52.037 0.149 0.000 0.822 88 A CB 0.284 19.376 19.000 0.153 0.000 1.088 88 A HN 0.607 nan 8.150 nan 0.000 0.495 89 H N 0.435 119.620 119.070 0.191 0.000 2.929 89 H HA 0.099 4.655 4.556 -0.000 0.000 0.317 89 H C 0.715 176.149 175.328 0.178 0.000 1.031 89 H CA 0.739 56.910 56.048 0.205 0.000 1.466 89 H CB 0.815 30.718 29.762 0.234 0.000 1.482 89 H HN 0.671 nan 8.280 nan 0.000 0.561 90 K N 3.479 124.057 120.400 0.297 0.000 2.365 90 K HA -0.095 4.225 4.320 -0.000 0.000 0.199 90 K C 1.679 178.478 176.600 0.332 0.000 1.045 90 K CA 0.622 57.133 56.287 0.373 0.000 0.962 90 K CB 0.366 33.119 32.500 0.421 0.000 0.759 90 K HN 0.411 nan 8.250 nan 0.000 0.469 91 K N 0.961 121.411 120.400 0.083 0.000 2.459 91 K HA 0.005 4.325 4.320 -0.000 0.000 0.193 91 K C 0.305 176.895 176.600 -0.017 0.000 1.030 91 K CA 0.361 56.373 56.287 -0.458 0.000 1.026 91 K CB 0.267 32.106 32.500 -1.102 0.000 0.809 91 K HN -0.005 nan 8.250 nan 0.000 0.504 92 N N 1.897 120.700 118.700 0.173 0.000 2.652 92 N HA -0.022 4.718 4.740 -0.000 0.000 0.259 92 N C -0.743 175.022 175.510 0.425 0.000 1.240 92 N CA 0.322 53.523 53.050 0.252 0.000 0.951 92 N CB 0.512 39.190 38.487 0.319 0.000 1.281 92 N HN 0.254 nan 8.380 nan 0.000 0.507 93 T N -4.553 110.226 114.554 0.375 0.000 2.918 93 T HA 0.347 4.697 4.350 -0.000 0.000 0.286 93 T C 1.465 176.387 174.700 0.370 0.000 1.026 93 T CA -0.785 61.519 62.100 0.340 0.000 1.031 93 T CB 1.659 70.663 68.868 0.227 0.000 1.046 93 T HN -0.188 nan 8.240 nan 0.000 0.479 94 V N 1.118 121.202 119.914 0.282 0.000 2.392 94 V HA -0.109 4.011 4.120 -0.000 0.000 0.249 94 V C 2.809 178.976 176.094 0.121 0.000 1.059 94 V CA 2.307 64.745 62.300 0.231 0.000 1.051 94 V CB -0.974 30.906 31.823 0.095 0.000 0.658 94 V HN 1.027 nan 8.190 nan 0.000 0.455 95 E N -0.297 119.915 120.200 0.020 0.000 2.077 95 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 95 E C 1.979 178.505 176.600 -0.123 0.000 0.989 95 E CA 1.688 58.028 56.400 -0.100 0.000 0.800 95 E CB -0.325 29.251 29.700 -0.206 0.000 0.746 95 E HN 0.682 nan 8.360 nan 0.000 0.452 96 Y N 0.650 121.016 120.300 0.110 0.000 2.286 96 Y HA 0.014 4.564 4.550 -0.000 0.000 0.293 96 Y C 2.218 178.140 175.900 0.037 0.000 1.124 96 Y CA 1.174 59.326 58.100 0.087 0.000 1.178 96 Y CB -0.209 38.300 38.460 0.082 0.000 1.010 96 Y HN 0.142 nan 8.280 nan 0.000 0.536 97 Q N -0.010 119.888 119.800 0.163 0.000 2.297 97 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 97 Q C 1.492 177.550 176.000 0.096 0.000 0.962 97 Q CA 0.963 56.821 55.803 0.093 0.000 0.879 97 Q CB -0.072 28.680 28.738 0.022 0.000 0.947 97 Q HN 0.449 nan 8.270 nan 0.000 0.462 98 K N 0.221 120.677 120.400 0.094 0.000 2.404 98 K HA 0.085 4.405 4.320 -0.000 0.000 0.194 98 K C 0.211 176.848 176.600 0.062 0.000 1.023 98 K CA 0.200 56.528 56.287 0.067 0.000 1.094 98 K CB 0.519 33.047 32.500 0.047 0.000 0.841 98 K HN 0.103 nan 8.250 nan 0.000 0.523 99 N N 1.015 119.771 118.700 0.093 0.000 2.636 99 N HA 0.053 4.793 4.740 -0.000 0.000 0.287 99 N C 0.202 175.821 175.510 0.182 0.000 1.817 99 N CA 0.031 53.145 53.050 0.107 0.000 0.842 99 N CB 0.841 39.375 38.487 0.078 0.000 1.353 99 N HN 0.029 nan 8.380 nan 0.000 0.500 100 I N 0.613 121.269 120.570 0.143 0.000 2.454 100 I HA -0.185 3.985 4.170 -0.000 0.000 0.254 100 I C 1.006 177.209 176.117 0.144 0.000 1.156 100 I CA 1.446 62.832 61.300 0.143 0.000 1.433 100 I CB 0.247 38.282 38.000 0.059 0.000 1.082 100 I HN 0.151 nan 8.210 nan 0.000 0.432 101 D N 0.877 121.344 120.400 0.111 0.000 2.263 101 D HA -0.163 4.476 4.640 -0.000 0.000 0.208 101 D C 1.842 178.207 176.300 0.109 0.000 0.971 101 D CA 0.688 54.741 54.000 0.089 0.000 0.867 101 D CB 0.050 40.890 40.800 0.065 0.000 0.929 101 D HN 0.330 nan 8.370 nan 0.000 0.492 102 K N 0.233 120.741 120.400 0.180 0.000 2.288 102 K HA -0.078 4.242 4.320 -0.000 0.000 0.201 102 K C 1.779 178.485 176.600 0.176 0.000 1.048 102 K CA 0.046 56.461 56.287 0.212 0.000 0.956 102 K CB -0.390 32.295 32.500 0.308 0.000 0.746 102 K HN 0.201 nan 8.250 nan 0.000 0.461 103 F N 1.561 121.499 119.950 -0.020 0.000 2.365 103 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 103 F C 1.917 177.599 175.800 -0.196 0.000 1.090 103 F CA 0.430 58.255 58.000 -0.292 0.000 1.408 103 F CB -0.081 38.706 39.000 -0.356 0.000 1.060 103 F HN -0.305 nan 8.300 nan 0.000 0.534 104 V N 0.773 120.621 119.914 -0.111 0.000 2.278 104 V HA -0.417 3.703 4.120 -0.000 0.000 0.251 104 V C 1.847 177.814 176.094 -0.211 0.000 1.062 104 V CA 2.602 64.811 62.300 -0.152 0.000 1.038 104 V CB -1.008 30.780 31.823 -0.059 0.000 0.646 104 V HN 0.402 nan 8.190 nan 0.000 0.447 105 N N -0.233 118.371 118.700 -0.160 0.000 2.188 105 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 105 N C 1.629 177.003 175.510 -0.227 0.000 1.018 105 N CA 1.244 54.211 53.050 -0.139 0.000 0.858 105 N CB -0.289 38.166 38.487 -0.054 0.000 0.989 105 N HN 0.344 nan 8.380 nan 0.000 0.426 106 V N 1.356 121.035 119.914 -0.393 0.000 2.343 106 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 106 V C 2.056 177.834 176.094 -0.527 0.000 1.051 106 V CA 1.438 63.433 62.300 -0.508 0.000 1.036 106 V CB -0.540 30.729 31.823 -0.923 0.000 0.654 106 V HN 0.304 nan 8.190 nan 0.000 0.451 107 I N -0.256 119.914 120.570 -0.667 0.000 2.127 107 I HA -0.337 3.832 4.170 -0.000 0.000 0.241 107 I C 2.733 178.639 176.117 -0.352 0.000 1.075 107 I CA 1.778 62.736 61.300 -0.570 0.000 1.334 107 I CB -0.493 37.187 38.000 -0.533 0.000 1.040 107 I HN 0.336 nan 8.210 nan 0.000 0.405 108 Q N 0.447 120.101 119.800 -0.242 0.000 2.152 108 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 108 Q C 2.241 178.175 176.000 -0.110 0.000 0.985 108 Q CA 1.691 57.412 55.803 -0.137 0.000 0.863 108 Q CB -0.522 28.160 28.738 -0.092 0.000 0.904 108 Q HN 0.671 nan 8.270 nan 0.000 0.422 109 G N 0.853 109.578 108.800 -0.125 0.000 2.598 109 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 109 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 109 G C 0.918 175.784 174.900 -0.057 0.000 1.131 109 G CA 0.628 45.681 45.100 -0.077 0.000 0.785 109 G HN 0.491 nan 8.290 nan 0.000 0.539 110 Q N -0.645 119.105 119.800 -0.084 0.000 2.110 110 Q HA 0.409 4.749 4.340 -0.000 0.000 0.232 110 Q C -0.328 175.673 176.000 0.002 0.000 0.810 110 Q CA -0.295 55.496 55.803 -0.020 0.000 1.083 110 Q CB 0.131 28.875 28.738 0.009 0.000 1.193 110 Q HN 0.233 nan 8.270 nan 0.000 0.471 111 L N 2.056 123.262 121.223 -0.028 0.000 2.277 111 L HA 0.505 4.845 4.340 -0.000 0.000 0.284 111 L C -0.887 176.004 176.870 0.035 0.000 1.028 111 L CA -0.810 54.038 54.840 0.014 0.000 0.835 111 L CB 1.148 43.196 42.059 -0.018 0.000 1.215 111 L HN 0.212 nan 8.230 nan 0.000 0.425 112 M N 2.209 121.851 119.600 0.070 0.000 2.080 112 M HA 0.245 4.725 4.480 -0.000 0.000 0.350 112 M C 0.292 176.641 176.300 0.082 0.000 1.173 112 M CA -0.002 55.345 55.300 0.078 0.000 1.052 112 M CB 1.401 34.068 32.600 0.112 0.000 1.577 112 M HN 0.324 nan 8.290 nan 0.000 0.455 113 S N 1.928 117.663 115.700 0.059 0.000 2.552 113 S HA 0.079 4.549 4.470 -0.000 0.000 0.289 113 S C 1.497 176.141 174.600 0.073 0.000 1.304 113 S CA -0.599 57.634 58.200 0.056 0.000 1.063 113 S CB 0.538 63.758 63.200 0.033 0.000 0.848 113 S HN 0.583 nan 8.310 nan 0.000 0.499 114 V N 2.323 122.290 119.914 0.089 0.000 2.323 114 V HA 0.014 4.134 4.120 -0.000 0.000 0.244 114 V C 1.218 177.331 176.094 0.032 0.000 1.041 114 V CA 1.456 63.805 62.300 0.083 0.000 1.025 114 V CB 0.061 31.980 31.823 0.159 0.000 0.656 114 V HN 0.807 nan 8.190 nan 0.000 0.451 115 S N -0.374 115.364 115.700 0.063 0.000 2.737 115 S HA 0.493 4.963 4.470 -0.000 0.000 0.269 115 S C -1.106 173.503 174.600 0.015 0.000 1.150 115 S CA -0.463 57.735 58.200 -0.004 0.000 1.077 115 S CB 1.353 64.525 63.200 -0.047 0.000 1.075 115 S HN 0.011 nan 8.310 nan 0.000 0.476 116 V N 7.873 127.782 119.914 -0.009 0.000 2.370 116 V HA 0.537 4.657 4.120 -0.000 0.000 0.279 116 V C -1.907 174.170 176.094 -0.028 0.000 1.029 116 V CA -1.815 60.477 62.300 -0.013 0.000 0.870 116 V CB 1.384 33.199 31.823 -0.012 0.000 0.984 116 V HN 0.701 nan 8.190 nan 0.000 0.451 117 P HA 0.134 nan 4.420 nan 0.000 0.272 117 P C -0.153 177.121 177.300 -0.044 0.000 1.230 117 P CA -0.078 63.001 63.100 -0.036 0.000 0.788 117 P CB 0.896 32.574 31.700 -0.035 0.000 0.949 118 V N 2.748 122.639 119.914 -0.038 0.000 2.617 118 V HA -0.049 4.071 4.120 -0.000 0.000 0.304 118 V C 1.352 177.395 176.094 -0.085 0.000 1.040 118 V CA 0.220 62.494 62.300 -0.044 0.000 1.149 118 V CB -0.645 31.176 31.823 -0.004 0.000 0.914 118 V HN 0.637 nan 8.190 nan 0.000 0.487 119 N N 3.316 121.958 118.700 -0.096 0.000 2.520 119 N HA 0.104 4.844 4.740 -0.000 0.000 0.273 119 N C 0.572 175.922 175.510 -0.266 0.000 1.155 119 N CA 0.432 53.401 53.050 -0.135 0.000 0.967 119 N CB 1.519 39.955 38.487 -0.084 0.000 1.092 119 N HN 0.873 nan 8.380 nan 0.000 0.457 120 T N 0.615 114.902 114.554 -0.445 0.000 3.252 120 T HA 0.264 4.614 4.350 -0.000 0.000 0.286 120 T C 0.804 175.134 174.700 -0.617 0.000 1.013 120 T CA -0.452 61.007 62.100 -1.069 0.000 0.914 120 T CB -0.358 67.903 68.868 -1.010 0.000 1.131 120 T HN 0.281 nan 8.240 nan 0.000 0.529 121 L N 1.941 123.027 121.223 -0.228 0.000 2.485 121 L HA 0.321 4.661 4.340 -0.000 0.000 0.275 121 L C 0.093 177.024 176.870 0.101 0.000 1.207 121 L CA -0.622 54.184 54.840 -0.056 0.000 0.855 121 L CB 0.748 42.796 42.059 -0.019 0.000 1.114 121 L HN 0.082 nan 8.230 nan 0.000 0.485 122 V N 4.624 124.606 119.914 0.114 0.000 2.368 122 V HA 0.128 4.248 4.120 -0.000 0.000 0.266 122 V C 0.231 176.391 176.094 0.111 0.000 1.045 122 V CA -0.437 61.971 62.300 0.180 0.000 0.899 122 V CB 1.396 33.304 31.823 0.141 0.000 1.006 122 V HN 0.425 nan 8.190 nan 0.000 0.470 123 V N 5.554 125.537 119.914 0.115 0.000 2.240 123 V HA 0.247 4.367 4.120 -0.000 0.000 0.265 123 V C 0.515 176.642 176.094 0.056 0.000 1.073 123 V CA -0.373 61.973 62.300 0.076 0.000 0.857 123 V CB 0.883 32.755 31.823 0.082 0.000 1.114 123 V HN 1.054 nan 8.190 nan 0.000 0.469 124 D N 1.634 122.059 120.400 0.042 0.000 2.402 124 D HA -0.026 4.614 4.640 -0.000 0.000 0.216 124 D C 1.278 177.589 176.300 0.018 0.000 1.128 124 D CA 0.325 54.339 54.000 0.024 0.000 0.833 124 D CB 0.306 41.120 40.800 0.022 0.000 0.971 124 D HN 0.530 nan 8.370 nan 0.000 0.503 125 T N -1.685 112.883 114.554 0.024 0.000 3.214 125 T HA 0.316 4.666 4.350 -0.000 0.000 0.264 125 T C 0.725 175.439 174.700 0.023 0.000 1.012 125 T CA -0.605 61.507 62.100 0.020 0.000 0.901 125 T CB -0.386 68.494 68.868 0.020 0.000 1.070 125 T HN 0.024 nan 8.240 nan 0.000 0.561 126 L N 1.999 123.238 121.223 0.026 0.000 2.461 126 L HA 0.274 4.614 4.340 -0.000 0.000 0.272 126 L C 1.163 178.045 176.870 0.021 0.000 1.197 126 L CA -0.514 54.344 54.840 0.031 0.000 0.836 126 L CB 0.446 42.528 42.059 0.038 0.000 1.105 126 L HN 0.271 nan 8.230 nan 0.000 0.477 127 S N 2.311 118.027 115.700 0.026 0.000 2.558 127 S HA 0.059 4.529 4.470 -0.000 0.000 0.288 127 S C -1.421 173.186 174.600 0.011 0.000 1.318 127 S CA -0.970 57.241 58.200 0.019 0.000 1.056 127 S CB 0.746 63.961 63.200 0.025 0.000 0.853 127 S HN 0.405 nan 8.310 nan 0.000 0.505 128 P HA -0.078 nan 4.420 nan 0.000 0.221 128 P C 1.342 178.639 177.300 -0.004 0.000 1.145 128 P CA 1.339 64.433 63.100 -0.009 0.000 0.795 128 P CB -0.192 31.502 31.700 -0.010 0.000 0.775 129 T N -5.575 108.986 114.554 0.011 0.000 3.043 129 T HA 0.081 4.431 4.350 -0.000 0.000 0.263 129 T C 1.061 175.788 174.700 0.044 0.000 1.094 129 T CA 0.141 62.254 62.100 0.023 0.000 1.127 129 T CB -0.605 68.279 68.868 0.027 0.000 0.905 129 T HN -0.093 nan 8.240 nan 0.000 0.490 130 S N 1.228 116.959 115.700 0.052 0.000 2.576 130 S HA 0.281 4.750 4.470 -0.000 0.000 0.276 130 S C -0.556 174.118 174.600 0.123 0.000 1.339 130 S CA -0.987 57.273 58.200 0.100 0.000 1.039 130 S CB 0.151 63.409 63.200 0.098 0.000 0.902 130 S HN 0.596 nan 8.310 nan 0.000 0.516 131 W N 3.008 124.316 121.300 0.014 0.000 2.322 131 W HA 0.175 4.835 4.660 -0.000 0.000 0.328 131 W C 0.261 176.795 176.519 0.025 0.000 1.395 131 W CA 0.266 57.617 57.345 0.011 0.000 1.267 131 W CB 0.182 29.648 29.460 0.010 0.000 1.259 131 W HN 0.528 nan 8.180 nan 0.000 0.560 132 Q N 5.261 124.737 119.800 -0.541 0.000 2.337 132 Q HA 0.580 4.920 4.340 -0.000 0.000 0.270 132 Q C -0.451 175.038 176.000 -0.851 0.000 1.043 132 Q CA -0.846 54.708 55.803 -0.415 0.000 0.794 132 Q CB 1.676 30.263 28.738 -0.252 0.000 1.281 132 Q HN 0.619 nan 8.270 nan 0.000 0.446 133 A N 2.351 124.905 122.820 -0.444 0.000 2.466 133 A HA 0.198 4.518 4.320 -0.000 0.000 0.238 133 A C 0.467 177.871 177.584 -0.300 0.000 1.074 133 A CA 0.121 51.975 52.037 -0.304 0.000 0.774 133 A CB 0.599 19.745 19.000 0.243 0.000 1.015 133 A HN 0.873 nan 8.150 nan 0.000 0.498 134 S N -0.795 114.758 115.700 -0.246 0.000 2.502 134 S HA 0.163 4.633 4.470 -0.000 0.000 0.215 134 S C 0.756 175.246 174.600 -0.183 0.000 1.009 134 S CA 0.713 58.790 58.200 -0.206 0.000 0.908 134 S CB 0.007 63.103 63.200 -0.173 0.000 0.801 134 S HN 1.155 nan 8.310 nan 0.000 0.505 135 T N -1.313 113.170 114.554 -0.118 0.000 2.841 135 T HA 0.640 4.990 4.350 -0.000 0.000 0.296 135 T C -1.114 173.530 174.700 -0.093 0.000 1.166 135 T CA -0.708 61.315 62.100 -0.128 0.000 1.007 135 T CB 0.696 69.594 68.868 0.049 0.000 1.253 135 T HN -0.100 nan 8.240 nan 0.000 0.511 136 F N 3.074 123.119 119.950 0.159 0.000 2.567 136 F HA 0.420 4.947 4.527 -0.000 0.000 0.352 136 F C 0.333 176.201 175.800 0.113 0.000 1.229 136 F CA -1.806 56.248 58.000 0.090 0.000 1.228 136 F CB -0.848 38.171 39.000 0.031 0.000 1.568 136 F HN 0.563 nan 8.300 nan 0.000 0.634 137 F N -0.418 119.640 119.950 0.181 0.000 2.362 137 F HA 0.654 5.181 4.527 -0.000 0.000 0.311 137 F C -0.151 175.725 175.800 0.127 0.000 1.161 137 F CA -1.763 56.319 58.000 0.136 0.000 1.085 137 F CB -0.161 38.911 39.000 0.120 0.000 1.311 137 F HN -0.160 nan 8.300 nan 0.000 0.524 138 V N 2.758 122.773 119.914 0.168 0.000 2.421 138 V HA 0.286 4.406 4.120 -0.000 0.000 0.271 138 V C 0.069 176.125 176.094 -0.063 0.000 1.031 138 V CA -0.084 62.235 62.300 0.032 0.000 1.032 138 V CB -0.571 31.311 31.823 0.099 0.000 1.009 138 V HN 0.695 nan 8.190 nan 0.000 0.477 139 R N 3.831 124.208 120.500 -0.204 0.000 2.803 139 R HA 0.494 4.834 4.340 -0.000 0.000 0.276 139 R C 0.219 176.470 176.300 -0.083 0.000 0.978 139 R CA -0.947 55.039 56.100 -0.189 0.000 0.939 139 R CB 1.027 31.127 30.300 -0.334 0.000 1.179 139 R HN 0.669 nan 8.270 nan 0.000 0.472 140 N N 0.885 119.561 118.700 -0.040 0.000 2.716 140 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 140 N C 0.460 175.960 175.510 -0.018 0.000 1.033 140 N CA 1.567 54.602 53.050 -0.025 0.000 0.727 140 N CB -1.209 37.260 38.487 -0.030 0.000 0.950 140 N HN 1.063 nan 8.380 nan 0.000 0.541 141 G N -2.100 106.694 108.800 -0.010 0.000 2.162 141 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 141 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 141 G C 0.315 175.211 174.900 -0.006 0.000 0.976 141 G CA 0.840 45.939 45.100 -0.002 0.000 0.655 141 G HN 1.316 nan 8.290 nan 0.000 0.533 142 S N -0.578 115.111 115.700 -0.018 0.000 2.584 142 S HA 0.480 4.950 4.470 -0.000 0.000 0.270 142 S C 0.123 174.714 174.600 -0.016 0.000 1.346 142 S CA 0.107 58.293 58.200 -0.023 0.000 1.018 142 S CB 1.768 64.945 63.200 -0.039 0.000 0.899 142 S HN 0.666 nan 8.310 nan 0.000 0.542 143 N N 1.810 120.494 118.700 -0.026 0.000 2.558 143 N HA 0.371 5.111 4.740 -0.000 0.000 0.242 143 N C -1.812 173.683 175.510 -0.025 0.000 0.979 143 N CA -2.511 50.517 53.050 -0.037 0.000 0.931 143 N CB 1.399 39.837 38.487 -0.082 0.000 1.122 143 N HN 0.364 nan 8.380 nan 0.000 0.508 144 P HA -0.035 nan 4.420 nan 0.000 0.233 144 P C 0.329 177.651 177.300 0.037 0.000 1.167 144 P CA 0.778 63.896 63.100 0.030 0.000 0.770 144 P CB 0.611 32.345 31.700 0.057 0.000 0.837 145 E N -0.093 120.115 120.200 0.014 0.000 2.274 145 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 145 E C 0.948 177.558 176.600 0.017 0.000 0.996 145 E CA 0.587 57.016 56.400 0.049 0.000 0.840 145 E CB -0.193 29.480 29.700 -0.045 0.000 0.772 145 E HN 0.322 nan 8.360 nan 0.000 0.491 146 Q N 2.197 121.968 119.800 -0.048 0.000 2.295 146 Q HA 0.024 4.364 4.340 -0.000 0.000 0.259 146 Q C -0.815 175.189 176.000 0.007 0.000 0.976 146 Q CA -0.141 55.632 55.803 -0.051 0.000 0.923 146 Q CB 0.761 29.454 28.738 -0.075 0.000 1.185 146 Q HN -0.200 nan 8.270 nan 0.000 0.410 147 D N 6.038 126.460 120.400 0.037 0.000 2.339 147 D HA 0.083 4.723 4.640 -0.000 0.000 0.256 147 D C -1.716 174.595 176.300 0.019 0.000 1.214 147 D CA -1.985 52.037 54.000 0.038 0.000 0.877 147 D CB 1.297 42.132 40.800 0.059 0.000 1.111 147 D HN 0.427 nan 8.370 nan 0.000 0.478 148 P HA -0.093 nan 4.420 nan 0.000 0.222 148 P C 1.308 178.604 177.300 -0.007 0.000 1.147 148 P CA 0.740 63.833 63.100 -0.012 0.000 0.790 148 P CB 0.291 31.972 31.700 -0.032 0.000 0.780 149 L N -1.285 119.938 121.223 -0.001 0.000 2.591 149 L HA 0.145 4.485 4.340 -0.000 0.000 0.228 149 L C 1.497 178.373 176.870 0.010 0.000 1.133 149 L CA 0.344 55.184 54.840 0.000 0.000 0.880 149 L CB -0.330 41.726 42.059 -0.005 0.000 1.033 149 L HN -0.159 nan 8.230 nan 0.000 0.450 150 R N -0.214 120.302 120.500 0.026 0.000 2.734 150 R HA 0.215 4.555 4.340 -0.000 0.000 0.395 150 R C -0.416 175.933 176.300 0.082 0.000 1.096 150 R CA -0.279 55.848 56.100 0.046 0.000 1.071 150 R CB 0.272 30.602 30.300 0.050 0.000 1.348 150 R HN 0.048 nan 8.270 nan 0.000 0.600 151 N N 0.545 119.271 118.700 0.042 0.000 2.459 151 N HA 0.376 5.115 4.740 -0.000 0.000 0.288 151 N C -0.713 174.710 175.510 -0.146 0.000 1.186 151 N CA -0.656 52.403 53.050 0.015 0.000 0.917 151 N CB 1.206 39.698 38.487 0.009 0.000 1.219 151 N HN 0.088 nan 8.380 nan 0.000 0.525 152 L N 2.021 122.993 121.223 -0.418 0.000 2.494 152 L HA 0.221 4.561 4.340 -0.000 0.000 0.251 152 L C 1.417 178.086 176.870 -0.336 0.000 1.119 152 L CA -0.292 54.175 54.840 -0.622 0.000 1.026 152 L CB 0.397 41.693 42.059 -1.272 0.000 1.370 152 L HN 0.635 nan 8.230 nan 0.000 0.426 153 S N -0.291 115.311 115.700 -0.164 0.000 2.419 153 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 153 S C 1.776 176.332 174.600 -0.074 0.000 1.016 153 S CA 0.992 59.145 58.200 -0.079 0.000 0.974 153 S CB -0.155 63.012 63.200 -0.055 0.000 0.786 153 S HN 0.635 nan 8.310 nan 0.000 0.492 154 G N 0.390 109.125 108.800 -0.108 0.000 2.712 154 G HA2 0.092 4.052 3.960 -0.000 0.000 0.212 154 G HA3 0.092 4.052 3.960 -0.000 0.000 0.212 154 G C 0.573 175.436 174.900 -0.062 0.000 1.142 154 G CA -0.305 44.745 45.100 -0.082 0.000 0.789 154 G HN 0.369 nan 8.290 nan 0.000 0.535 155 Q N 0.586 120.325 119.800 -0.102 0.000 2.315 155 Q HA 0.471 4.811 4.340 -0.000 0.000 0.289 155 Q C -0.050 175.978 176.000 0.047 0.000 1.044 155 Q CA 0.381 56.160 55.803 -0.041 0.000 0.920 155 Q CB 1.319 30.000 28.738 -0.095 0.000 1.214 155 Q HN 0.305 nan 8.270 nan 0.000 0.392 156 A N 1.918 124.781 122.820 0.072 0.000 2.602 156 A HA 0.749 5.068 4.320 -0.000 0.000 0.290 156 A C -1.055 176.593 177.584 0.108 0.000 1.114 156 A CA -0.477 51.611 52.037 0.086 0.000 0.683 156 A CB 1.322 20.364 19.000 0.071 0.000 1.281 156 A HN 0.491 nan 8.150 nan 0.000 0.416 157 V N -2.365 117.623 119.914 0.124 0.000 3.040 157 V HA 0.953 5.073 4.120 -0.000 0.000 0.312 157 V C -0.553 175.639 176.094 0.162 0.000 1.115 157 V CA -0.513 61.880 62.300 0.155 0.000 0.998 157 V CB 1.665 33.613 31.823 0.208 0.000 1.042 157 V HN 0.914 nan 8.190 nan 0.000 0.433 158 T N 2.779 117.431 114.554 0.164 0.000 2.847 158 T HA 0.549 4.899 4.350 -0.000 0.000 0.291 158 T C -0.357 174.405 174.700 0.104 0.000 0.998 158 T CA -0.439 61.748 62.100 0.145 0.000 0.967 158 T CB 0.991 69.975 68.868 0.193 0.000 0.954 158 T HN 0.769 nan 8.240 nan 0.000 0.441 159 R N 2.709 123.259 120.500 0.083 0.000 2.423 159 R HA 0.603 4.943 4.340 -0.000 0.000 0.293 159 R C -0.554 175.770 176.300 0.040 0.000 1.196 159 R CA -0.590 55.531 56.100 0.035 0.000 1.262 159 R CB 0.655 30.955 30.300 0.001 0.000 1.116 159 R HN 0.518 nan 8.270 nan 0.000 0.566 160 V N -1.883 118.052 119.914 0.035 0.000 3.178 160 V HA 0.411 4.531 4.120 -0.000 0.000 0.302 160 V C -0.103 176.007 176.094 0.026 0.000 1.262 160 V CA -1.180 61.142 62.300 0.037 0.000 1.030 160 V CB 1.903 33.756 31.823 0.049 0.000 1.074 160 V HN 0.123 nan 8.190 nan 0.000 0.438 161 V N 3.183 123.114 119.914 0.029 0.000 2.540 161 V HA 0.496 4.616 4.120 -0.000 0.000 0.297 161 V C 1.722 177.829 176.094 0.022 0.000 1.024 161 V CA 1.953 64.270 62.300 0.028 0.000 1.105 161 V CB 0.018 31.861 31.823 0.034 0.000 0.938 161 V HN 2.138 nan 8.190 nan 0.000 0.482 162 G N 3.321 112.128 108.800 0.012 0.000 2.194 162 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.236 162 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.236 162 G C 0.979 175.844 174.900 -0.059 0.000 0.987 162 G CA 0.253 45.345 45.100 -0.013 0.000 0.635 162 G HN 2.096 nan 8.290 nan 0.000 0.520 163 G N 0.122 108.900 108.800 -0.037 0.000 2.594 163 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.297 163 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.297 163 G C 1.177 176.004 174.900 -0.121 0.000 1.273 163 G CA 1.240 46.310 45.100 -0.050 0.000 0.974 163 G HN 1.101 nan 8.290 nan 0.000 0.552 164 M N 1.567 121.060 119.600 -0.178 0.000 2.557 164 M HA 0.003 4.483 4.480 -0.000 0.000 0.259 164 M C 2.662 178.584 176.300 -0.630 0.000 1.086 164 M CA 1.664 56.714 55.300 -0.416 0.000 1.096 164 M CB -0.194 32.269 32.600 -0.229 0.000 1.424 164 M HN 0.699 nan 8.290 nan 0.000 0.488 165 S N -0.604 114.781 115.700 -0.524 0.000 2.603 165 S HA -0.063 4.407 4.470 -0.000 0.000 0.229 165 S C 1.697 176.108 174.600 -0.315 0.000 0.972 165 S CA 1.103 58.880 58.200 -0.706 0.000 0.935 165 S CB -0.971 61.827 63.200 -0.669 0.000 0.769 165 S HN 0.576 nan 8.310 nan 0.000 0.536 166 T N -0.538 113.845 114.554 -0.284 0.000 3.085 166 T HA -0.015 4.335 4.350 -0.000 0.000 0.263 166 T C 1.402 175.886 174.700 -0.360 0.000 1.127 166 T CA 0.978 62.941 62.100 -0.228 0.000 1.103 166 T CB -0.696 68.144 68.868 -0.046 0.000 0.921 166 T HN 0.912 nan 8.240 nan 0.000 0.510 167 H N -2.136 116.810 119.070 -0.205 0.000 3.771 167 H HA 0.189 4.745 4.556 -0.000 0.000 0.260 167 H C 0.640 176.115 175.328 0.245 0.000 1.158 167 H CA -0.956 55.120 56.048 0.047 0.000 1.170 167 H CB -0.539 29.271 29.762 0.079 0.000 1.539 167 H HN 0.472 nan 8.280 nan 0.000 0.634 168 W N 3.829 125.029 121.300 -0.167 0.000 2.073 168 W HA 0.235 4.895 4.660 -0.000 0.000 0.358 168 W C 0.463 176.983 176.519 0.002 0.000 1.321 168 W CA 0.670 58.009 57.345 -0.010 0.000 1.317 168 W CB -0.353 29.060 29.460 -0.077 0.000 1.226 168 W HN 0.040 nan 8.180 nan 0.000 0.622 169 T N -2.421 111.969 114.554 -0.273 0.000 3.145 169 T HA 0.202 4.552 4.350 -0.000 0.000 0.255 169 T C 0.771 175.000 174.700 -0.785 0.000 1.039 169 T CA 0.328 62.062 62.100 -0.609 0.000 0.928 169 T CB -1.176 67.389 68.868 -0.505 0.000 1.029 169 T HN 0.742 nan 8.240 nan 0.000 0.554 170 C N 0.850 119.269 119.300 -1.468 0.000 4.400 170 C HA -0.089 4.371 4.460 -0.000 0.000 0.275 170 C C 1.297 175.791 174.990 -0.827 0.000 1.391 170 C CA -0.355 57.603 59.018 -1.767 0.000 1.816 170 C CB -2.790 24.413 27.740 -0.893 0.000 1.404 170 C HN 1.022 nan 8.230 nan 0.000 0.754 171 A N 1.138 123.676 122.820 -0.469 0.000 2.396 171 A HA 0.541 4.861 4.320 -0.000 0.000 0.279 171 A C 0.778 178.277 177.584 -0.141 0.000 1.165 171 A CA 1.096 53.021 52.037 -0.187 0.000 0.824 171 A CB 0.158 19.131 19.000 -0.045 0.000 1.100 171 A HN 1.311 nan 8.150 nan 0.000 0.516 172 T N 1.767 116.256 114.554 -0.108 0.000 3.410 172 T HA 0.520 4.870 4.350 -0.000 0.000 0.328 172 T C -2.698 171.966 174.700 -0.061 0.000 1.567 172 T CA -1.445 60.629 62.100 -0.044 0.000 1.626 172 T CB 0.666 69.539 68.868 0.009 0.000 0.939 172 T HN 0.466 nan 8.240 nan 0.000 0.656 173 P HA 0.424 nan 4.420 nan 0.000 0.279 173 P C -0.287 176.882 177.300 -0.218 0.000 1.252 173 P CA -0.722 62.298 63.100 -0.135 0.000 0.811 173 P CB 1.308 32.922 31.700 -0.144 0.000 1.035 174 R N 0.770 121.052 120.500 -0.363 0.000 2.582 174 R HA 0.390 4.730 4.340 -0.000 0.000 0.271 174 R C 0.069 176.239 176.300 -0.216 0.000 1.078 174 R CA -0.432 55.248 56.100 -0.699 0.000 1.127 174 R CB 0.156 29.903 30.300 -0.921 0.000 1.038 174 R HN 0.375 nan 8.270 nan 0.000 0.500 175 F N 2.011 121.729 119.950 -0.387 0.000 2.412 175 F HA 0.041 4.568 4.527 -0.000 0.000 0.348 175 F C 1.007 176.628 175.800 -0.298 0.000 1.102 175 F CA -1.451 56.358 58.000 -0.319 0.000 1.196 175 F CB 0.270 39.073 39.000 -0.328 0.000 1.144 175 F HN 0.545 nan 8.300 nan 0.000 0.541 176 D N 2.556 122.889 120.400 -0.112 0.000 2.377 176 D HA 0.121 4.761 4.640 -0.000 0.000 0.245 176 D C 1.054 177.267 176.300 -0.144 0.000 1.196 176 D CA -0.433 53.497 54.000 -0.117 0.000 0.962 176 D CB 0.590 41.336 40.800 -0.090 0.000 1.127 176 D HN 0.480 nan 8.370 nan 0.000 0.471 177 R N -0.226 120.216 120.500 -0.098 0.000 2.103 177 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 177 R C 2.025 178.268 176.300 -0.094 0.000 1.142 177 R CA 1.677 57.726 56.100 -0.085 0.000 0.960 177 R CB -0.213 30.071 30.300 -0.026 0.000 0.858 177 R HN 0.649 nan 8.270 nan 0.000 0.439 178 E N 0.491 120.630 120.200 -0.100 0.000 2.153 178 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 178 E C 1.560 178.050 176.600 -0.184 0.000 0.988 178 E CA 1.094 57.441 56.400 -0.089 0.000 0.811 178 E CB 0.188 29.875 29.700 -0.023 0.000 0.746 178 E HN 0.440 nan 8.360 nan 0.000 0.466 179 Q N -0.497 119.095 119.800 -0.346 0.000 2.360 179 Q HA 0.099 4.439 4.340 -0.000 0.000 0.202 179 Q C 0.444 176.327 176.000 -0.194 0.000 0.915 179 Q CA -0.017 55.519 55.803 -0.445 0.000 0.943 179 Q CB 0.616 28.790 28.738 -0.940 0.000 1.064 179 Q HN -0.066 nan 8.270 nan 0.000 0.511 180 R N 1.975 122.405 120.500 -0.116 0.000 2.514 180 R HA 0.315 4.655 4.340 -0.000 0.000 0.301 180 R C -2.581 173.689 176.300 -0.050 0.000 0.962 180 R CA -2.181 53.851 56.100 -0.113 0.000 0.882 180 R CB 1.170 31.237 30.300 -0.389 0.000 1.143 180 R HN -0.124 nan 8.270 nan 0.000 0.452 181 P HA 0.034 nan 4.420 nan 0.000 0.271 181 P C -0.557 176.908 177.300 0.275 0.000 1.218 181 P CA -0.031 63.155 63.100 0.143 0.000 0.780 181 P CB 0.678 32.483 31.700 0.175 0.000 0.901 182 L N 2.977 124.331 121.223 0.220 0.000 2.367 182 L HA 0.152 4.492 4.340 -0.000 0.000 0.275 182 L C 1.694 178.704 176.870 0.233 0.000 1.129 182 L CA -0.192 54.839 54.840 0.318 0.000 0.839 182 L CB 0.248 42.533 42.059 0.377 0.000 1.133 182 L HN 0.370 nan 8.230 nan 0.000 0.453 183 L N 3.517 124.923 121.223 0.304 0.000 2.575 183 L HA 0.211 4.551 4.340 -0.000 0.000 0.228 183 L C -0.118 176.933 176.870 0.303 0.000 1.075 183 L CA 0.196 55.111 54.840 0.125 0.000 0.867 183 L CB 0.665 42.597 42.059 -0.212 0.000 1.097 183 L HN 0.320 nan 8.230 nan 0.000 0.485 184 V N 1.401 121.502 119.914 0.312 0.000 2.531 184 V HA 0.243 4.363 4.120 -0.000 0.000 0.301 184 V C -0.273 175.932 176.094 0.184 0.000 1.034 184 V CA -0.944 61.481 62.300 0.208 0.000 0.865 184 V CB 1.834 33.722 31.823 0.109 0.000 0.995 184 V HN 0.173 nan 8.190 nan 0.000 0.424 185 K N 2.259 122.643 120.400 -0.026 0.000 2.098 185 K HA 0.476 4.796 4.320 -0.000 0.000 0.261 185 K C -0.436 176.136 176.600 -0.046 0.000 0.987 185 K CA -0.395 55.844 56.287 -0.079 0.000 0.916 185 K CB 1.122 33.408 32.500 -0.355 0.000 1.039 185 K HN 0.575 nan 8.250 nan 0.000 0.455 186 D N 0.360 120.756 120.400 -0.006 0.000 2.981 186 D HA -0.151 4.489 4.640 -0.000 0.000 0.223 186 D C -0.886 175.423 176.300 0.014 0.000 1.151 186 D CA 1.497 55.496 54.000 -0.001 0.000 0.827 186 D CB -0.910 39.875 40.800 -0.026 0.000 1.101 186 D HN 0.805 nan 8.370 nan 0.000 0.426 187 D N -1.296 119.125 120.400 0.035 0.000 2.826 187 D HA 0.409 5.049 4.640 -0.000 0.000 0.239 187 D C 0.985 177.323 176.300 0.064 0.000 1.329 187 D CA 0.266 54.291 54.000 0.040 0.000 0.854 187 D CB 0.259 41.078 40.800 0.031 0.000 1.494 187 D HN -0.001 nan 8.370 nan 0.000 0.540 188 A N 1.932 124.791 122.820 0.065 0.000 1.940 188 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 188 A C 1.635 179.269 177.584 0.084 0.000 1.176 188 A CA 1.472 53.557 52.037 0.080 0.000 0.631 188 A CB -0.009 19.030 19.000 0.065 0.000 0.814 188 A HN 0.417 nan 8.150 nan 0.000 0.446 189 D N -0.021 120.417 120.400 0.065 0.000 2.144 189 D HA 0.003 4.643 4.640 -0.000 0.000 0.200 189 D C 2.201 178.543 176.300 0.070 0.000 0.978 189 D CA 1.393 55.431 54.000 0.063 0.000 0.833 189 D CB -0.405 40.422 40.800 0.047 0.000 0.961 189 D HN 0.438 nan 8.370 nan 0.000 0.470 190 A N 0.855 123.713 122.820 0.063 0.000 1.930 190 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 190 A C 1.956 179.589 177.584 0.080 0.000 1.175 190 A CA 1.882 53.953 52.037 0.057 0.000 0.627 190 A CB -0.605 18.421 19.000 0.042 0.000 0.815 190 A HN 0.168 nan 8.150 nan 0.000 0.443 191 D N -0.107 120.363 120.400 0.118 0.000 2.104 191 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 191 D C 1.277 177.741 176.300 0.272 0.000 0.994 191 D CA 1.706 55.822 54.000 0.194 0.000 0.830 191 D CB -0.132 40.809 40.800 0.234 0.000 0.959 191 D HN 0.347 nan 8.370 nan 0.000 0.452 192 D N -0.379 120.149 120.400 0.213 0.000 2.123 192 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 192 D C 1.978 178.393 176.300 0.193 0.000 0.992 192 D CA 1.420 55.549 54.000 0.215 0.000 0.833 192 D CB -0.549 40.331 40.800 0.133 0.000 0.954 192 D HN 0.340 nan 8.370 nan 0.000 0.455 193 A N 0.595 123.488 122.820 0.123 0.000 1.930 193 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 193 A C 2.123 179.739 177.584 0.055 0.000 1.175 193 A CA 1.714 53.799 52.037 0.080 0.000 0.627 193 A CB -0.516 18.514 19.000 0.049 0.000 0.815 193 A HN 0.260 nan 8.150 nan 0.000 0.443 194 E N -1.247 118.967 120.200 0.024 0.000 2.047 194 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 194 E C 1.783 178.299 176.600 -0.140 0.000 0.987 194 E CA 1.293 57.636 56.400 -0.095 0.000 0.799 194 E CB -0.256 29.337 29.700 -0.178 0.000 0.752 194 E HN 0.771 nan 8.360 nan 0.000 0.449 195 W N 1.099 122.368 121.300 -0.052 0.000 2.358 195 W HA -0.164 4.495 4.660 -0.000 0.000 0.303 195 W C 2.157 178.678 176.519 0.003 0.000 1.208 195 W CA 1.291 58.571 57.345 -0.108 0.000 1.274 195 W CB -0.305 29.139 29.460 -0.028 0.000 1.138 195 W HN 0.297 nan 8.180 nan 0.000 0.515 196 D N -0.021 120.558 120.400 0.298 0.000 2.117 196 D HA -0.228 4.412 4.640 -0.000 0.000 0.197 196 D C 2.167 178.542 176.300 0.125 0.000 0.987 196 D CA 1.604 55.742 54.000 0.229 0.000 0.829 196 D CB -0.206 40.685 40.800 0.151 0.000 0.961 196 D HN -0.043 nan 8.370 nan 0.000 0.460 197 R N -0.351 120.173 120.500 0.041 0.000 2.083 197 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 197 R C 2.425 178.684 176.300 -0.069 0.000 1.137 197 R CA 1.285 57.371 56.100 -0.023 0.000 0.951 197 R CB -0.297 29.970 30.300 -0.056 0.000 0.851 197 R HN 0.282 nan 8.270 nan 0.000 0.434 198 L N -0.745 120.401 121.223 -0.129 0.000 2.027 198 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 198 L C 2.355 179.153 176.870 -0.121 0.000 1.074 198 L CA 1.107 55.816 54.840 -0.218 0.000 0.745 198 L CB -0.633 41.184 42.059 -0.403 0.000 0.898 198 L HN 0.190 nan 8.230 nan 0.000 0.433 199 Y N 0.500 120.803 120.300 0.004 0.000 2.181 199 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 199 Y C 2.896 178.776 175.900 -0.032 0.000 1.146 199 Y CA 1.507 59.616 58.100 0.015 0.000 1.164 199 Y CB -1.187 37.314 38.460 0.069 0.000 0.982 199 Y HN 0.138 nan 8.280 nan 0.000 0.515 200 T N -0.294 114.337 114.554 0.128 0.000 2.720 200 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 200 T C 1.995 176.664 174.700 -0.052 0.000 1.037 200 T CA 1.851 63.974 62.100 0.038 0.000 1.144 200 T CB -0.188 68.694 68.868 0.024 0.000 0.864 200 T HN 0.243 nan 8.240 nan 0.000 0.444 201 K N 0.743 121.056 120.400 -0.145 0.000 2.057 201 K HA 0.052 4.372 4.320 -0.000 0.000 0.206 201 K C 2.513 178.794 176.600 -0.531 0.000 1.050 201 K CA 1.036 57.112 56.287 -0.352 0.000 0.935 201 K CB -0.286 31.963 32.500 -0.417 0.000 0.715 201 K HN 0.259 nan 8.250 nan 0.000 0.439 202 A N 1.323 123.940 122.820 -0.339 0.000 1.902 202 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 202 A C 1.831 179.420 177.584 0.008 0.000 1.181 202 A CA 1.821 53.729 52.037 -0.215 0.000 0.623 202 A CB -0.525 18.461 19.000 -0.024 0.000 0.818 202 A HN 0.467 nan 8.150 nan 0.000 0.443 203 E N -0.581 119.663 120.200 0.074 0.000 2.110 203 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 203 E C 2.249 178.931 176.600 0.136 0.000 0.988 203 E CA 1.188 57.678 56.400 0.149 0.000 0.804 203 E CB -0.150 29.610 29.700 0.099 0.000 0.745 203 E HN 0.618 nan 8.360 nan 0.000 0.458 204 S N -0.423 115.307 115.700 0.051 0.000 2.368 204 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 204 S C 1.795 176.529 174.600 0.222 0.000 1.029 204 S CA 0.766 59.022 58.200 0.093 0.000 0.988 204 S CB -0.185 63.038 63.200 0.037 0.000 0.838 204 S HN 0.256 nan 8.310 nan 0.000 0.462 205 Y N 0.414 120.726 120.300 0.020 0.000 2.165 205 Y HA 0.015 4.565 4.550 -0.000 0.000 0.286 205 Y C 2.060 177.996 175.900 0.059 0.000 1.155 205 Y CA 0.400 58.481 58.100 -0.031 0.000 1.164 205 Y CB -1.191 37.164 38.460 -0.174 0.000 0.978 205 Y HN 0.333 nan 8.280 nan 0.000 0.513 206 F N 0.175 120.276 119.950 0.252 0.000 2.710 206 F HA 0.017 4.544 4.527 -0.000 0.000 0.298 206 F C 0.832 176.738 175.800 0.177 0.000 1.137 206 F CA 0.238 58.376 58.000 0.231 0.000 1.444 206 F CB -0.368 38.789 39.000 0.263 0.000 1.111 206 F HN 0.014 nan 8.300 nan 0.000 0.580 207 Q N 0.514 120.501 119.800 0.313 0.000 2.463 207 Q HA -0.189 4.151 4.340 -0.000 0.000 0.299 207 Q C 0.047 176.132 176.000 0.142 0.000 1.353 207 Q CA 0.742 56.654 55.803 0.183 0.000 0.828 207 Q CB -2.641 26.181 28.738 0.140 0.000 1.157 207 Q HN 0.213 nan 8.270 nan 0.000 0.436 208 T N -0.056 114.596 114.554 0.163 0.000 2.916 208 T HA 0.488 4.838 4.350 -0.000 0.000 0.303 208 T C 0.771 175.502 174.700 0.051 0.000 1.025 208 T CA 0.524 62.684 62.100 0.099 0.000 1.142 208 T CB 1.381 70.319 68.868 0.117 0.000 0.947 208 T HN 0.491 nan 8.240 nan 0.000 0.544 209 G N 0.522 109.337 108.800 0.024 0.000 2.695 209 G HA2 0.548 4.508 3.960 -0.000 0.000 0.290 209 G HA3 0.548 4.508 3.960 -0.000 0.000 0.290 209 G C 0.050 174.958 174.900 0.013 0.000 1.410 209 G CA -0.603 44.502 45.100 0.009 0.000 0.844 209 G HN 0.631 nan 8.290 nan 0.000 0.478 210 T N -2.425 112.137 114.554 0.013 0.000 3.288 210 T HA 0.272 4.622 4.350 -0.000 0.000 0.293 210 T C 0.098 174.812 174.700 0.025 0.000 1.008 210 T CA 0.487 62.605 62.100 0.031 0.000 0.929 210 T CB 0.368 69.260 68.868 0.040 0.000 1.152 210 T HN 0.511 nan 8.240 nan 0.000 0.517 211 D N 0.201 120.595 120.400 -0.011 0.000 2.520 211 D HA 0.069 4.709 4.640 -0.000 0.000 0.223 211 D C 1.285 177.512 176.300 -0.121 0.000 1.186 211 D CA -0.106 53.866 54.000 -0.047 0.000 0.821 211 D CB -0.079 40.690 40.800 -0.051 0.000 1.072 211 D HN 0.253 nan 8.370 nan 0.000 0.518 212 Q N -0.364 119.358 119.800 -0.130 0.000 2.291 212 Q HA 0.141 4.481 4.340 -0.000 0.000 0.205 212 Q C 0.364 175.975 176.000 -0.649 0.000 0.970 212 Q CA 0.982 56.574 55.803 -0.353 0.000 0.876 212 Q CB -0.246 28.262 28.738 -0.383 0.000 0.935 212 Q HN 0.280 nan 8.270 nan 0.000 0.455 213 F N 0.167 119.949 119.950 -0.279 0.000 2.708 213 F HA 0.227 4.754 4.527 -0.000 0.000 0.300 213 F C 1.304 176.899 175.800 -0.342 0.000 1.118 213 F CA -0.532 57.269 58.000 -0.332 0.000 1.307 213 F CB 0.284 39.035 39.000 -0.415 0.000 0.986 213 F HN 0.001 nan 8.300 nan 0.000 0.522 214 K N 0.419 120.709 120.400 -0.183 0.000 2.209 214 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 214 K C 0.758 177.198 176.600 -0.267 0.000 1.048 214 K CA 1.702 57.916 56.287 -0.120 0.000 0.940 214 K CB -0.201 32.220 32.500 -0.132 0.000 0.729 214 K HN 0.323 nan 8.250 nan 0.000 0.451 215 E N 1.615 121.539 120.200 -0.460 0.000 2.437 215 E HA 0.049 4.399 4.350 -0.000 0.000 0.195 215 E C -0.653 175.773 176.600 -0.291 0.000 1.029 215 E CA -0.308 55.572 56.400 -0.868 0.000 0.948 215 E CB 0.818 30.002 29.700 -0.861 0.000 1.082 215 E HN 0.218 nan 8.360 nan 0.000 0.456 216 S N 0.725 116.405 115.700 -0.033 0.000 2.505 216 S HA 0.151 4.621 4.470 -0.000 0.000 0.276 216 S C 1.226 175.928 174.600 0.170 0.000 1.274 216 S CA -0.411 57.851 58.200 0.104 0.000 1.053 216 S CB 0.421 63.740 63.200 0.197 0.000 0.919 216 S HN 0.200 nan 8.310 nan 0.000 0.490 217 I N 5.104 125.646 120.570 -0.045 0.000 2.179 217 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 217 I C 2.723 178.640 176.117 -0.333 0.000 1.088 217 I CA 1.254 62.249 61.300 -0.508 0.000 1.357 217 I CB -0.207 37.267 38.000 -0.878 0.000 1.051 217 I HN 0.692 nan 8.210 nan 0.000 0.409 218 R N -0.571 119.838 120.500 -0.152 0.000 2.081 218 R HA -0.232 4.108 4.340 -0.000 0.000 0.235 218 R C 2.383 178.706 176.300 0.038 0.000 1.131 218 R CA 1.769 57.834 56.100 -0.060 0.000 0.960 218 R CB -0.690 29.591 30.300 -0.032 0.000 0.856 218 R HN 0.413 nan 8.270 nan 0.000 0.436 219 H N 1.208 120.294 119.070 0.026 0.000 2.289 219 H HA -0.101 4.455 4.556 -0.000 0.000 0.296 219 H C 1.741 177.143 175.328 0.122 0.000 1.091 219 H CA 2.085 58.176 56.048 0.072 0.000 1.274 219 H CB -0.135 29.699 29.762 0.121 0.000 1.364 219 H HN 0.140 nan 8.280 nan 0.000 0.490 220 N N -0.064 118.741 118.700 0.175 0.000 2.270 220 N HA -0.113 4.627 4.740 -0.000 0.000 0.181 220 N C 2.039 177.708 175.510 0.265 0.000 1.016 220 N CA 0.957 54.157 53.050 0.250 0.000 0.870 220 N CB -0.166 38.682 38.487 0.602 0.000 0.979 220 N HN 0.327 nan 8.380 nan 0.000 0.431 221 L N 1.139 122.516 121.223 0.256 0.000 2.046 221 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 221 L C 2.050 178.985 176.870 0.109 0.000 1.077 221 L CA 1.278 56.283 54.840 0.274 0.000 0.747 221 L CB -0.395 41.767 42.059 0.172 0.000 0.896 221 L HN -0.144 nan 8.230 nan 0.000 0.432 222 V N -0.790 119.137 119.914 0.021 0.000 2.323 222 V HA -0.212 3.908 4.120 -0.000 0.000 0.244 222 V C 2.416 178.444 176.094 -0.110 0.000 1.041 222 V CA 1.492 63.771 62.300 -0.036 0.000 1.025 222 V CB -0.522 31.257 31.823 -0.073 0.000 0.656 222 V HN 0.495 nan 8.190 nan 0.000 0.451 223 L N 1.006 122.130 121.223 -0.166 0.000 2.012 223 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 223 L C 2.177 178.983 176.870 -0.107 0.000 1.073 223 L CA 2.141 56.873 54.840 -0.180 0.000 0.748 223 L CB -0.896 41.025 42.059 -0.231 0.000 0.891 223 L HN 0.318 nan 8.230 nan 0.000 0.431 224 N N -0.243 118.444 118.700 -0.021 0.000 2.142 224 N HA -0.190 4.550 4.740 -0.000 0.000 0.186 224 N C 1.839 177.337 175.510 -0.020 0.000 1.023 224 N CA 1.294 54.351 53.050 0.011 0.000 0.852 224 N CB -0.310 38.214 38.487 0.062 0.000 0.998 224 N HN 0.277 nan 8.380 nan 0.000 0.424 225 K N 1.322 121.710 120.400 -0.020 0.000 2.057 225 K HA 0.066 4.386 4.320 -0.000 0.000 0.207 225 K C 1.907 178.467 176.600 -0.067 0.000 1.049 225 K CA 0.895 57.168 56.287 -0.022 0.000 0.931 225 K CB -0.391 32.116 32.500 0.011 0.000 0.714 225 K HN 0.122 nan 8.250 nan 0.000 0.440 226 L N -0.080 121.031 121.223 -0.187 0.000 2.056 226 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 226 L C 2.237 178.922 176.870 -0.308 0.000 1.078 226 L CA 1.578 56.189 54.840 -0.380 0.000 0.749 226 L CB -0.801 40.639 42.059 -1.031 0.000 0.901 226 L HN 0.227 nan 8.230 nan 0.000 0.433 227 T N -0.712 113.702 114.554 -0.233 0.000 2.684 227 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 227 T C 1.785 176.538 174.700 0.087 0.000 1.036 227 T CA 1.745 63.876 62.100 0.051 0.000 1.148 227 T CB -0.132 68.777 68.868 0.069 0.000 0.863 227 T HN 0.385 nan 8.240 nan 0.000 0.436 228 E N 0.625 120.840 120.200 0.026 0.000 2.051 228 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 228 E C 2.210 178.815 176.600 0.009 0.000 0.991 228 E CA 1.036 57.447 56.400 0.017 0.000 0.799 228 E CB 0.042 29.737 29.700 -0.010 0.000 0.748 228 E HN 0.386 nan 8.360 nan 0.000 0.449 229 E N -0.442 119.751 120.200 -0.011 0.000 2.150 229 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 229 E C 0.946 177.416 176.600 -0.217 0.000 0.985 229 E CA 0.941 57.267 56.400 -0.125 0.000 0.814 229 E CB -0.001 29.596 29.700 -0.172 0.000 0.752 229 E HN 0.482 nan 8.360 nan 0.000 0.466 230 Y N 0.472 120.814 120.300 0.069 0.000 2.658 230 Y HA 0.181 4.730 4.550 -0.000 0.000 0.276 230 Y C 0.633 176.602 175.900 0.115 0.000 1.167 230 Y CA -0.336 57.844 58.100 0.133 0.000 1.230 230 Y CB 0.355 38.992 38.460 0.294 0.000 1.144 230 Y HN -0.279 nan 8.280 nan 0.000 0.529 231 K N 0.713 121.209 120.400 0.159 0.000 2.472 231 K HA 0.158 4.478 4.320 -0.000 0.000 0.280 231 K C 1.160 177.822 176.600 0.104 0.000 1.028 231 K CA 1.244 57.605 56.287 0.123 0.000 1.045 231 K CB 0.042 32.583 32.500 0.068 0.000 0.902 231 K HN 0.643 nan 8.250 nan 0.000 0.478 232 G N 3.241 112.104 108.800 0.105 0.000 2.179 232 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 232 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 232 G C 0.627 175.583 174.900 0.093 0.000 0.977 232 G CA 0.716 45.864 45.100 0.081 0.000 0.641 232 G HN 0.724 nan 8.290 nan 0.000 0.533 233 Q N -1.304 118.578 119.800 0.136 0.000 2.586 233 Q HA 0.299 4.639 4.340 -0.000 0.000 0.243 233 Q C 1.142 177.224 176.000 0.136 0.000 0.846 233 Q CA 0.176 56.067 55.803 0.146 0.000 0.959 233 Q CB 0.880 29.734 28.738 0.194 0.000 1.227 233 Q HN 0.469 nan 8.270 nan 0.000 0.611 234 R N 0.618 121.211 120.500 0.155 0.000 2.725 234 R HA 0.386 4.726 4.340 -0.000 0.000 0.277 234 R C -1.559 174.751 176.300 0.017 0.000 0.987 234 R CA -0.709 55.382 56.100 -0.014 0.000 0.901 234 R CB 1.744 31.831 30.300 -0.355 0.000 1.207 234 R HN -0.015 nan 8.270 nan 0.000 0.463 235 D N 1.756 122.097 120.400 -0.099 0.000 2.168 235 D HA 0.346 4.986 4.640 -0.000 0.000 0.246 235 D C -0.696 175.466 176.300 -0.230 0.000 1.050 235 D CA 0.106 54.091 54.000 -0.025 0.000 0.857 235 D CB 1.225 42.027 40.800 0.002 0.000 1.169 235 D HN 0.144 nan 8.370 nan 0.000 0.453 236 F N 0.884 120.841 119.950 0.012 0.000 2.522 236 F HA 0.365 4.892 4.527 -0.000 0.000 0.324 236 F C 0.742 176.560 175.800 0.030 0.000 1.077 236 F CA -0.607 57.395 58.000 0.002 0.000 0.944 236 F CB 1.753 40.747 39.000 -0.010 0.000 1.175 236 F HN 0.220 nan 8.300 nan 0.000 0.468 237 Q N 0.052 119.972 119.800 0.200 0.000 2.707 237 Q HA 0.352 4.692 4.340 -0.000 0.000 0.307 237 Q C -1.538 174.586 176.000 0.206 0.000 0.934 237 Q CA -1.294 54.612 55.803 0.172 0.000 0.753 237 Q CB 1.692 30.497 28.738 0.111 0.000 1.478 237 Q HN 0.615 nan 8.270 nan 0.000 0.458 238 Q N 0.821 120.762 119.800 0.235 0.000 2.352 238 Q HA 0.249 4.589 4.340 -0.000 0.000 0.260 238 Q C -0.526 175.552 176.000 0.130 0.000 0.976 238 Q CA -0.254 55.694 55.803 0.242 0.000 0.881 238 Q CB 0.545 29.376 28.738 0.154 0.000 1.235 238 Q HN 0.568 nan 8.270 nan 0.000 0.419 239 I N 6.324 126.954 120.570 0.101 0.000 2.821 239 I HA -0.063 4.107 4.170 -0.000 0.000 0.294 239 I C -1.974 174.169 176.117 0.043 0.000 1.210 239 I CA -1.340 59.996 61.300 0.060 0.000 1.430 239 I CB 0.093 38.107 38.000 0.024 0.000 1.356 239 I HN 0.446 nan 8.210 nan 0.000 0.563 240 P HA 0.198 nan 4.420 nan 0.000 0.266 240 P C -0.896 176.398 177.300 -0.010 0.000 1.215 240 P CA 0.219 63.326 63.100 0.011 0.000 0.763 240 P CB 0.410 32.106 31.700 -0.008 0.000 0.806 241 L N 2.422 123.646 121.223 0.002 0.000 2.365 241 L HA 0.637 4.977 4.340 -0.000 0.000 0.273 241 L C 0.323 177.176 176.870 -0.027 0.000 1.000 241 L CA -1.193 53.639 54.840 -0.013 0.000 0.819 241 L CB 2.134 44.255 42.059 0.103 0.000 1.284 241 L HN 0.234 nan 8.230 nan 0.000 0.418 242 A N 3.060 125.817 122.820 -0.106 0.000 2.671 242 A HA 0.753 5.073 4.320 -0.000 0.000 0.306 242 A C 0.019 177.611 177.584 0.013 0.000 1.473 242 A CA 0.092 52.109 52.037 -0.034 0.000 1.155 242 A CB -0.369 18.546 19.000 -0.142 0.000 1.123 242 A HN 0.789 nan 8.150 nan 0.000 0.545 243 A N 1.828 124.631 122.820 -0.029 0.000 2.590 243 A HA 0.718 5.038 4.320 -0.000 0.000 0.296 243 A C -0.500 176.962 177.584 -0.202 0.000 1.050 243 A CA -0.465 51.457 52.037 -0.191 0.000 0.697 243 A CB 0.751 19.462 19.000 -0.483 0.000 1.277 243 A HN 0.609 nan 8.150 nan 0.000 0.411 244 T N 1.556 115.964 114.554 -0.245 0.000 2.847 244 T HA 0.474 4.824 4.350 -0.000 0.000 0.291 244 T C 0.012 174.551 174.700 -0.270 0.000 0.998 244 T CA -0.397 61.584 62.100 -0.198 0.000 0.967 244 T CB 1.063 69.874 68.868 -0.095 0.000 0.954 244 T HN 0.725 nan 8.240 nan 0.000 0.441 245 R N 2.419 122.742 120.500 -0.294 0.000 2.442 245 R HA 0.222 4.562 4.340 -0.000 0.000 0.291 245 R C 0.786 176.993 176.300 -0.155 0.000 1.069 245 R CA -0.275 55.644 56.100 -0.301 0.000 1.022 245 R CB 0.381 30.465 30.300 -0.360 0.000 0.976 245 R HN 0.393 nan 8.270 nan 0.000 0.443 246 R N 1.142 121.606 120.500 -0.060 0.000 2.250 246 R HA 0.137 4.476 4.340 -0.000 0.000 0.194 246 R C 0.182 176.463 176.300 -0.033 0.000 0.927 246 R CA 0.653 56.746 56.100 -0.013 0.000 1.052 246 R CB 0.368 30.701 30.300 0.055 0.000 1.055 246 R HN 0.762 nan 8.270 nan 0.000 0.537 247 S N -1.331 114.356 115.700 -0.021 0.000 2.643 247 S HA 0.401 4.871 4.470 -0.000 0.000 0.270 247 S C -2.596 171.965 174.600 -0.065 0.000 1.166 247 S CA -1.079 57.099 58.200 -0.036 0.000 0.815 247 S CB 2.228 65.424 63.200 -0.007 0.000 1.139 247 S HN -0.266 nan 8.310 nan 0.000 0.472 248 P HA 0.019 nan 4.420 nan 0.000 0.223 248 P C 1.018 178.282 177.300 -0.060 0.000 1.144 248 P CA 1.668 64.719 63.100 -0.081 0.000 0.783 248 P CB -0.198 31.475 31.700 -0.046 0.000 0.771 249 T N -6.763 107.788 114.554 -0.005 0.000 3.084 249 T HA 0.278 4.628 4.350 -0.000 0.000 0.270 249 T C -0.175 174.576 174.700 0.085 0.000 1.008 249 T CA -0.339 61.780 62.100 0.031 0.000 0.900 249 T CB -0.513 68.392 68.868 0.062 0.000 1.084 249 T HN -0.116 nan 8.240 nan 0.000 0.538 250 F N 1.588 121.469 119.950 -0.114 0.000 2.561 250 F HA 0.667 5.194 4.527 -0.000 0.000 0.313 250 F C -1.516 174.146 175.800 -0.230 0.000 1.126 250 F CA -1.138 56.789 58.000 -0.122 0.000 0.918 250 F CB 1.999 40.944 39.000 -0.092 0.000 1.199 250 F HN -0.130 nan 8.300 nan 0.000 0.444 251 V N 5.123 124.581 119.914 -0.760 0.000 2.448 251 V HA 0.273 4.393 4.120 -0.000 0.000 0.295 251 V C -0.379 175.123 176.094 -0.987 0.000 1.025 251 V CA -0.874 60.922 62.300 -0.839 0.000 0.859 251 V CB 1.670 32.796 31.823 -1.161 0.000 0.988 251 V HN 0.733 nan 8.190 nan 0.000 0.431 252 E N 4.518 124.439 120.200 -0.465 0.000 1.941 252 E HA 0.135 4.485 4.350 -0.000 0.000 0.275 252 E C -1.034 175.373 176.600 -0.322 0.000 1.113 252 E CA -0.546 55.729 56.400 -0.208 0.000 0.878 252 E CB 0.373 30.118 29.700 0.075 0.000 1.070 252 E HN 0.632 nan 8.360 nan 0.000 0.399 253 W N 2.778 123.956 121.300 -0.203 0.000 2.190 253 W HA 0.089 4.749 4.660 -0.000 0.000 0.330 253 W C 0.731 177.260 176.519 0.016 0.000 1.299 253 W CA -0.532 56.676 57.345 -0.228 0.000 1.215 253 W CB 0.744 29.828 29.460 -0.625 0.000 1.147 253 W HN 0.301 nan 8.180 nan 0.000 0.563 254 S N 1.628 117.519 115.700 0.319 0.000 2.624 254 S HA 0.610 5.079 4.470 -0.000 0.000 0.263 254 S C 0.144 175.161 174.600 0.694 0.000 1.287 254 S CA -0.544 57.914 58.200 0.431 0.000 0.990 254 S CB 1.136 64.593 63.200 0.429 0.000 0.950 254 S HN 0.520 nan 8.310 nan 0.000 0.561 255 S N -0.516 115.541 115.700 0.595 0.000 2.703 255 S HA 0.675 5.145 4.470 -0.000 0.000 0.273 255 S C 0.745 175.539 174.600 0.323 0.000 1.178 255 S CA -0.345 58.136 58.200 0.468 0.000 0.838 255 S CB 0.505 63.898 63.200 0.323 0.000 1.178 255 S HN 0.735 nan 8.310 nan 0.000 0.494 256 A N 1.722 124.628 122.820 0.144 0.000 1.903 256 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 256 A C 2.026 179.659 177.584 0.081 0.000 1.191 256 A CA 2.272 54.355 52.037 0.076 0.000 0.638 256 A CB -1.633 17.377 19.000 0.016 0.000 0.823 256 A HN 0.887 nan 8.150 nan 0.000 0.451 257 N N -0.593 118.159 118.700 0.086 0.000 2.137 257 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 257 N C 1.591 177.127 175.510 0.043 0.000 1.017 257 N CA 2.153 55.229 53.050 0.044 0.000 0.859 257 N CB -0.285 38.237 38.487 0.059 0.000 1.002 257 N HN 0.493 nan 8.380 nan 0.000 0.428 258 T N 0.623 115.251 114.554 0.123 0.000 2.720 258 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 258 T C 2.089 176.828 174.700 0.065 0.000 1.037 258 T CA 1.358 63.536 62.100 0.130 0.000 1.144 258 T CB -0.314 68.708 68.868 0.257 0.000 0.864 258 T HN 0.066 nan 8.240 nan 0.000 0.444 259 V N -0.413 119.528 119.914 0.044 0.000 2.307 259 V HA 0.115 4.235 4.120 -0.000 0.000 0.245 259 V C 0.569 176.626 176.094 -0.062 0.000 1.045 259 V CA 1.041 63.288 62.300 -0.088 0.000 1.024 259 V CB -0.388 31.334 31.823 -0.170 0.000 0.651 259 V HN 0.478 nan 8.190 nan 0.000 0.449 260 F N 0.778 120.605 119.950 -0.205 0.000 2.604 260 F HA 0.395 4.922 4.527 -0.000 0.000 0.316 260 F C 0.253 175.940 175.800 -0.188 0.000 1.136 260 F CA -1.649 56.202 58.000 -0.249 0.000 0.989 260 F CB 1.481 40.285 39.000 -0.328 0.000 1.258 260 F HN 0.146 nan 8.300 nan 0.000 0.451 261 D N 4.517 124.477 120.400 -0.733 0.000 2.348 261 D HA -0.047 4.593 4.640 -0.000 0.000 0.216 261 D C 1.173 177.200 176.300 -0.454 0.000 0.970 261 D CA 1.219 54.935 54.000 -0.474 0.000 0.889 261 D CB -0.004 40.573 40.800 -0.371 0.000 0.912 261 D HN 0.679 nan 8.370 nan 0.000 0.524 262 L N -1.957 118.814 121.223 -0.753 0.000 4.759 262 L HA -0.224 4.116 4.340 -0.000 0.000 0.419 262 L C -0.274 176.562 176.870 -0.056 0.000 1.093 262 L CA 0.370 55.068 54.840 -0.237 0.000 1.037 262 L CB -1.402 40.665 42.059 0.013 0.000 2.095 262 L HN 0.209 nan 8.230 nan 0.000 0.739 263 Q N 1.059 120.727 119.800 -0.221 0.000 2.332 263 Q HA 0.218 4.558 4.340 -0.000 0.000 0.263 263 Q C 0.362 176.423 176.000 0.102 0.000 0.979 263 Q CA -0.033 55.728 55.803 -0.070 0.000 0.885 263 Q CB 0.635 29.295 28.738 -0.130 0.000 1.218 263 Q HN 0.124 nan 8.270 nan 0.000 0.405 264 N N 2.140 120.898 118.700 0.098 0.000 2.458 264 N HA 0.064 4.804 4.740 -0.000 0.000 0.258 264 N C -0.277 175.299 175.510 0.110 0.000 1.219 264 N CA 0.442 53.555 53.050 0.104 0.000 0.902 264 N CB 0.576 39.035 38.487 -0.047 0.000 1.076 264 N HN 0.250 nan 8.380 nan 0.000 0.455 265 R N 1.578 122.180 120.500 0.171 0.000 2.807 265 R HA 0.514 4.854 4.340 -0.000 0.000 0.276 265 R C -2.402 173.983 176.300 0.142 0.000 0.979 265 R CA -1.617 54.575 56.100 0.154 0.000 0.928 265 R CB 1.874 32.302 30.300 0.213 0.000 1.191 265 R HN 0.393 nan 8.270 nan 0.000 0.471 266 P HA 0.132 nan 4.420 nan 0.000 0.274 266 P C -1.364 175.995 177.300 0.097 0.000 1.231 266 P CA -0.312 62.889 63.100 0.169 0.000 0.790 266 P CB 0.737 32.598 31.700 0.268 0.000 0.951 267 N N -1.407 117.334 118.700 0.068 0.000 3.204 267 N HA 0.233 4.973 4.740 -0.000 0.000 0.285 267 N C 0.589 176.110 175.510 0.017 0.000 1.536 267 N CA -0.716 52.354 53.050 0.033 0.000 0.832 267 N CB -0.608 37.887 38.487 0.014 0.000 1.645 267 N HN 0.050 nan 8.380 nan 0.000 0.586 268 T N -0.718 113.838 114.554 0.003 0.000 2.720 268 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 268 T C 0.309 175.002 174.700 -0.012 0.000 1.037 268 T CA 1.629 63.727 62.100 -0.004 0.000 1.144 268 T CB -0.448 68.414 68.868 -0.009 0.000 0.864 268 T HN 0.512 nan 8.240 nan 0.000 0.444 269 D N 0.788 121.177 120.400 -0.018 0.000 2.347 269 D HA 0.214 4.854 4.640 -0.000 0.000 0.213 269 D C 0.704 176.991 176.300 -0.022 0.000 0.985 269 D CA 0.306 54.291 54.000 -0.025 0.000 0.879 269 D CB 0.251 41.029 40.800 -0.037 0.000 0.919 269 D HN 0.358 nan 8.370 nan 0.000 0.526 270 A N 1.448 124.262 122.820 -0.009 0.000 3.266 270 A HA 0.317 4.636 4.320 -0.000 0.000 0.310 270 A C -2.034 175.564 177.584 0.023 0.000 1.066 270 A CA -0.849 51.191 52.037 0.005 0.000 0.839 270 A CB 0.994 20.005 19.000 0.018 0.000 1.192 270 A HN -0.171 nan 8.150 nan 0.000 0.496 271 P HA -0.046 nan 4.420 nan 0.000 0.233 271 P C 0.481 177.742 177.300 -0.065 0.000 1.167 271 P CA 1.058 64.155 63.100 -0.006 0.000 0.770 271 P CB 0.388 32.066 31.700 -0.036 0.000 0.837 272 E N -0.516 119.613 120.200 -0.117 0.000 2.538 272 E HA 0.127 4.477 4.350 -0.000 0.000 0.207 272 E C 0.177 176.798 176.600 0.034 0.000 1.002 272 E CA -0.095 56.129 56.400 -0.293 0.000 0.952 272 E CB 0.467 29.973 29.700 -0.324 0.000 1.031 272 E HN 0.435 nan 8.360 nan 0.000 0.476 273 E N 1.029 121.328 120.200 0.164 0.000 2.227 273 E HA 0.449 4.799 4.350 -0.000 0.000 0.268 273 E C -0.297 176.484 176.600 0.302 0.000 0.990 273 E CA -0.562 55.971 56.400 0.220 0.000 0.856 273 E CB 1.471 31.268 29.700 0.161 0.000 1.159 273 E HN -0.111 nan 8.360 nan 0.000 0.401 274 R N 1.826 122.489 120.500 0.271 0.000 2.500 274 R HA 0.397 4.737 4.340 -0.000 0.000 0.299 274 R C -1.643 174.825 176.300 0.280 0.000 1.038 274 R CA -0.508 55.727 56.100 0.225 0.000 0.903 274 R CB 0.957 31.345 30.300 0.146 0.000 1.177 274 R HN 0.392 nan 8.270 nan 0.000 0.455 275 F N 2.093 122.092 119.950 0.081 0.000 2.615 275 F HA 0.465 4.992 4.527 -0.000 0.000 0.312 275 F C -1.688 174.080 175.800 -0.053 0.000 1.119 275 F CA -0.630 57.395 58.000 0.041 0.000 0.979 275 F CB 2.120 41.211 39.000 0.151 0.000 1.266 275 F HN 0.384 nan 8.300 nan 0.000 0.444 276 N N 4.410 122.454 118.700 -1.094 0.000 2.310 276 N HA 0.599 5.339 4.740 -0.000 0.000 0.292 276 N C -2.131 172.391 175.510 -1.645 0.000 1.049 276 N CA -0.633 51.740 53.050 -1.129 0.000 0.849 276 N CB 2.410 40.402 38.487 -0.825 0.000 1.532 276 N HN 0.587 nan 8.380 nan 0.000 0.479 277 L N 2.330 122.795 121.223 -1.264 0.000 2.307 277 L HA 0.676 5.016 4.340 -0.000 0.000 0.284 277 L C -1.695 174.638 176.870 -0.894 0.000 1.023 277 L CA -0.305 54.021 54.840 -0.856 0.000 0.810 277 L CB 0.338 42.249 42.059 -0.246 0.000 1.231 277 L HN 0.472 nan 8.230 nan 0.000 0.423 278 F N 6.090 125.803 119.950 -0.394 0.000 2.443 278 F HA 0.545 5.072 4.527 -0.000 0.000 0.369 278 F C -2.182 173.576 175.800 -0.069 0.000 1.090 278 F CA -1.978 55.886 58.000 -0.226 0.000 1.129 278 F CB 0.843 39.678 39.000 -0.275 0.000 1.367 278 F HN 0.412 nan 8.300 nan 0.000 0.465 279 P HA 0.337 nan 4.420 nan 0.000 0.276 279 P C 0.014 177.374 177.300 0.101 0.000 1.261 279 P CA -0.168 62.979 63.100 0.078 0.000 0.800 279 P CB 1.065 32.790 31.700 0.041 0.000 1.066 280 A N -0.986 121.874 122.820 0.067 0.000 2.822 280 A HA -0.107 4.213 4.320 -0.000 0.000 0.287 280 A C -0.026 177.580 177.584 0.037 0.000 1.479 280 A CA 0.742 52.806 52.037 0.046 0.000 0.779 280 A CB -2.455 16.572 19.000 0.045 0.000 1.022 280 A HN 0.258 nan 8.150 nan 0.000 0.532 281 V N -0.163 119.789 119.914 0.065 0.000 2.376 281 V HA 0.656 4.776 4.120 -0.000 0.000 0.287 281 V C 0.649 176.730 176.094 -0.021 0.000 1.015 281 V CA -0.316 62.016 62.300 0.054 0.000 0.834 281 V CB 1.390 33.346 31.823 0.222 0.000 1.001 281 V HN 1.447 nan 8.190 nan 0.000 0.428 282 A N 4.327 127.097 122.820 -0.084 0.000 2.396 282 A HA 0.423 4.743 4.320 -0.000 0.000 0.279 282 A C 0.186 177.711 177.584 -0.099 0.000 1.165 282 A CA -0.159 51.813 52.037 -0.109 0.000 0.824 282 A CB -0.169 18.802 19.000 -0.050 0.000 1.100 282 A HN 0.876 nan 8.150 nan 0.000 0.516 283 C N 2.997 122.224 119.300 -0.120 0.000 2.325 283 C HA 0.350 4.810 4.460 -0.000 0.000 0.347 283 C C 1.335 176.272 174.990 -0.088 0.000 1.263 283 C CA -0.298 58.642 59.018 -0.130 0.000 1.806 283 C CB -0.453 27.211 27.740 -0.127 0.000 2.405 283 C HN 1.010 nan 8.230 nan 0.000 0.537 284 E N 0.870 121.041 120.200 -0.048 0.000 2.330 284 E HA 0.127 4.476 4.350 -0.000 0.000 0.200 284 E C 0.154 176.758 176.600 0.006 0.000 0.922 284 E CA 0.410 56.811 56.400 0.003 0.000 0.935 284 E CB 0.519 30.265 29.700 0.076 0.000 0.917 284 E HN 0.635 nan 8.360 nan 0.000 0.491 285 R N 0.576 121.088 120.500 0.021 0.000 2.561 285 R HA 0.250 4.590 4.340 -0.000 0.000 0.266 285 R C -1.146 175.140 176.300 -0.024 0.000 1.091 285 R CA -0.530 55.569 56.100 -0.002 0.000 0.927 285 R CB 2.288 32.587 30.300 -0.003 0.000 1.240 285 R HN -0.103 nan 8.270 nan 0.000 0.449 286 V N 0.017 119.896 119.914 -0.058 0.000 2.465 286 V HA 0.515 4.635 4.120 -0.000 0.000 0.279 286 V C 0.159 176.199 176.094 -0.091 0.000 1.045 286 V CA -0.766 61.460 62.300 -0.124 0.000 0.938 286 V CB 1.533 33.240 31.823 -0.194 0.000 0.986 286 V HN 0.412 nan 8.190 nan 0.000 0.467 287 V N 6.122 125.963 119.914 -0.121 0.000 2.385 287 V HA 0.402 4.522 4.120 -0.000 0.000 0.269 287 V C 0.753 176.814 176.094 -0.055 0.000 1.043 287 V CA -0.396 61.857 62.300 -0.078 0.000 0.906 287 V CB 0.477 32.263 31.823 -0.062 0.000 0.995 287 V HN 0.924 nan 8.190 nan 0.000 0.467 288 R N 3.835 124.323 120.500 -0.020 0.000 2.441 288 R HA 0.270 4.610 4.340 -0.000 0.000 0.284 288 R C 0.362 176.685 176.300 0.039 0.000 1.070 288 R CA -0.580 55.562 56.100 0.070 0.000 1.047 288 R CB 0.621 30.937 30.300 0.028 0.000 1.016 288 R HN 0.867 nan 8.270 nan 0.000 0.477 289 N N 1.408 120.146 118.700 0.064 0.000 2.399 289 N HA -0.012 4.728 4.740 -0.000 0.000 0.250 289 N C 0.423 175.926 175.510 -0.013 0.000 1.272 289 N CA 0.085 53.144 53.050 0.015 0.000 0.928 289 N CB 0.593 39.086 38.487 0.010 0.000 1.158 289 N HN 0.585 nan 8.380 nan 0.000 0.463 290 A N 0.594 123.399 122.820 -0.026 0.000 2.014 290 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 290 A C 2.129 179.682 177.584 -0.051 0.000 1.163 290 A CA 0.619 52.634 52.037 -0.036 0.000 0.652 290 A CB -0.690 18.291 19.000 -0.031 0.000 0.808 290 A HN 0.657 nan 8.150 nan 0.000 0.449 291 L N -0.811 120.374 121.223 -0.063 0.000 2.478 291 L HA -0.044 4.296 4.340 -0.000 0.000 0.223 291 L C 0.077 176.852 176.870 -0.157 0.000 1.140 291 L CA 0.086 54.871 54.840 -0.091 0.000 0.842 291 L CB -0.457 41.551 42.059 -0.084 0.000 0.953 291 L HN 0.402 nan 8.230 nan 0.000 0.452 292 N N 0.017 118.607 118.700 -0.184 0.000 2.738 292 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 292 N C 0.879 175.799 175.510 -0.983 0.000 1.047 292 N CA 1.038 53.868 53.050 -0.366 0.000 0.707 292 N CB -1.238 37.166 38.487 -0.138 0.000 0.937 292 N HN 0.539 nan 8.380 nan 0.000 0.545 293 S N -1.996 113.262 115.700 -0.737 0.000 2.632 293 S HA 0.268 4.738 4.470 -0.000 0.000 0.237 293 S C 0.284 174.647 174.600 -0.395 0.000 1.037 293 S CA -0.135 57.691 58.200 -0.623 0.000 1.009 293 S CB 1.574 64.621 63.200 -0.256 0.000 0.974 293 S HN 0.395 nan 8.310 nan 0.000 0.544 294 E N 0.288 120.385 120.200 -0.172 0.000 2.380 294 E HA 0.405 4.754 4.350 -0.000 0.000 0.281 294 E C -1.732 175.062 176.600 0.323 0.000 0.999 294 E CA -0.829 55.683 56.400 0.187 0.000 0.800 294 E CB 1.265 31.035 29.700 0.118 0.000 1.228 294 E HN 0.089 nan 8.360 nan 0.000 0.436 295 I N 3.489 124.214 120.570 0.258 0.000 2.428 295 I HA 0.137 4.307 4.170 -0.000 0.000 0.289 295 I C 0.951 177.029 176.117 -0.064 0.000 1.019 295 I CA 0.107 61.384 61.300 -0.037 0.000 1.351 295 I CB 1.212 38.944 38.000 -0.445 0.000 1.412 295 I HN 0.689 nan 8.210 nan 0.000 0.513 296 E N 3.130 123.286 120.200 -0.073 0.000 2.389 296 E HA 0.093 4.443 4.350 -0.000 0.000 0.199 296 E C 0.243 176.884 176.600 0.068 0.000 0.978 296 E CA 0.352 56.776 56.400 0.040 0.000 0.912 296 E CB 0.611 30.335 29.700 0.039 0.000 0.907 296 E HN 0.728 nan 8.360 nan 0.000 0.494 297 S N -0.402 115.260 115.700 -0.064 0.000 2.636 297 S HA 0.489 4.959 4.470 -0.000 0.000 0.266 297 S C -1.525 173.048 174.600 -0.045 0.000 1.147 297 S CA -1.050 57.189 58.200 0.066 0.000 0.815 297 S CB 1.303 64.563 63.200 0.101 0.000 1.119 297 S HN 0.012 nan 8.310 nan 0.000 0.470 298 L N 1.990 123.285 121.223 0.119 0.000 2.325 298 L HA 0.653 4.993 4.340 -0.000 0.000 0.281 298 L C -0.853 176.032 176.870 0.025 0.000 1.004 298 L CA -0.165 54.701 54.840 0.044 0.000 0.823 298 L CB 1.108 43.218 42.059 0.087 0.000 1.236 298 L HN 0.996 nan 8.230 nan 0.000 0.415 299 H N 5.384 124.405 119.070 -0.082 0.000 2.668 299 H HA 0.611 5.167 4.556 -0.000 0.000 0.303 299 H C -0.538 174.727 175.328 -0.104 0.000 1.074 299 H CA -0.123 55.880 56.048 -0.076 0.000 1.406 299 H CB 0.631 30.352 29.762 -0.068 0.000 1.442 299 H HN 0.646 nan 8.280 nan 0.000 0.482 300 I N 1.455 121.750 120.570 -0.459 0.000 2.892 300 I HA 0.417 4.587 4.170 -0.000 0.000 0.306 300 I C -1.111 174.831 176.117 -0.291 0.000 1.078 300 I CA -1.001 60.095 61.300 -0.340 0.000 1.032 300 I CB 2.584 40.357 38.000 -0.378 0.000 1.229 300 I HN 0.646 nan 8.210 nan 0.000 0.435 301 H N 3.489 122.409 119.070 -0.249 0.000 2.800 301 H HA 0.219 4.775 4.556 -0.000 0.000 0.322 301 H C -1.352 173.937 175.328 -0.064 0.000 0.979 301 H CA -0.708 55.228 56.048 -0.186 0.000 1.277 301 H CB 1.363 31.051 29.762 -0.123 0.000 1.484 301 H HN 0.786 nan 8.280 nan 0.000 0.512 302 D N 5.869 126.293 120.400 0.040 0.000 2.346 302 D HA -0.022 4.618 4.640 -0.000 0.000 0.260 302 D C 1.106 177.302 176.300 -0.174 0.000 1.252 302 D CA -0.016 53.996 54.000 0.019 0.000 0.895 302 D CB 0.918 41.857 40.800 0.232 0.000 1.097 302 D HN 0.699 nan 8.370 nan 0.000 0.489 303 L N 4.268 125.355 121.223 -0.226 0.000 2.291 303 L HA -0.119 4.221 4.340 -0.000 0.000 0.214 303 L C 1.982 178.798 176.870 -0.089 0.000 1.120 303 L CA 0.110 54.788 54.840 -0.270 0.000 0.799 303 L CB -0.062 41.910 42.059 -0.144 0.000 0.925 303 L HN 0.514 nan 8.230 nan 0.000 0.446 304 I N -0.353 120.206 120.570 -0.019 0.000 2.235 304 I HA -0.162 4.008 4.170 -0.000 0.000 0.241 304 I C 2.756 178.894 176.117 0.035 0.000 1.085 304 I CA 1.717 63.029 61.300 0.019 0.000 1.378 304 I CB -1.239 36.785 38.000 0.040 0.000 1.076 304 I HN 0.281 nan 8.210 nan 0.000 0.415 305 S N 0.321 116.057 115.700 0.059 0.000 2.446 305 S HA 0.108 4.578 4.470 -0.000 0.000 0.225 305 S C 1.855 176.497 174.600 0.070 0.000 1.016 305 S CA 0.799 59.046 58.200 0.079 0.000 0.943 305 S CB -0.045 63.235 63.200 0.134 0.000 0.786 305 S HN 0.593 nan 8.310 nan 0.000 0.508 306 G N 1.019 109.862 108.800 0.072 0.000 2.176 306 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.253 306 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.253 306 G C -0.381 174.590 174.900 0.118 0.000 0.979 306 G CA 0.236 45.428 45.100 0.152 0.000 0.641 306 G HN 0.573 nan 8.290 nan 0.000 0.530 307 D N 0.150 120.545 120.400 -0.008 0.000 2.312 307 D HA 0.593 5.233 4.640 -0.000 0.000 0.248 307 D C 0.798 176.741 176.300 -0.595 0.000 1.086 307 D CA -0.026 53.773 54.000 -0.335 0.000 0.948 307 D CB 0.704 41.232 40.800 -0.452 0.000 1.162 307 D HN 0.312 nan 8.370 nan 0.000 0.446 308 R N 0.745 120.744 120.500 -0.836 0.000 2.534 308 R HA 0.567 4.907 4.340 -0.000 0.000 0.301 308 R C -0.978 174.815 176.300 -0.845 0.000 0.961 308 R CA -0.664 55.024 56.100 -0.688 0.000 0.871 308 R CB 1.231 31.284 30.300 -0.412 0.000 1.170 308 R HN 0.272 nan 8.270 nan 0.000 0.446 309 F N 0.065 119.895 119.950 -0.200 0.000 2.626 309 F HA 0.353 4.880 4.527 -0.000 0.000 0.311 309 F C 0.077 175.809 175.800 -0.113 0.000 1.088 309 F CA -0.993 56.940 58.000 -0.112 0.000 0.949 309 F CB 1.732 40.667 39.000 -0.108 0.000 1.322 309 F HN 0.159 nan 8.300 nan 0.000 0.461 310 E N 2.473 122.790 120.200 0.196 0.000 2.151 310 E HA 0.470 4.820 4.350 -0.000 0.000 0.275 310 E C -0.996 175.665 176.600 0.102 0.000 0.936 310 E CA -0.504 55.981 56.400 0.141 0.000 0.777 310 E CB 2.457 32.245 29.700 0.147 0.000 1.108 310 E HN 0.276 nan 8.360 nan 0.000 0.401 311 I N 2.194 122.810 120.570 0.076 0.000 2.441 311 I HA 0.325 4.495 4.170 -0.000 0.000 0.295 311 I C 0.258 176.492 176.117 0.195 0.000 0.994 311 I CA -0.718 60.649 61.300 0.112 0.000 1.144 311 I CB 1.550 39.587 38.000 0.061 0.000 1.314 311 I HN 0.289 nan 8.210 nan 0.000 0.445 312 K N 3.871 124.387 120.400 0.193 0.000 2.164 312 K HA 0.844 5.164 4.320 -0.000 0.000 0.258 312 K C -1.034 175.651 176.600 0.141 0.000 0.951 312 K CA -0.399 56.017 56.287 0.215 0.000 0.844 312 K CB 2.193 34.783 32.500 0.151 0.000 1.099 312 K HN 0.836 nan 8.250 nan 0.000 0.435 313 A N 2.297 125.115 122.820 -0.002 0.000 2.569 313 A HA 0.330 4.650 4.320 -0.000 0.000 0.290 313 A C -0.513 176.950 177.584 -0.203 0.000 1.136 313 A CA -0.682 51.223 52.037 -0.220 0.000 0.710 313 A CB 1.148 19.797 19.000 -0.586 0.000 1.303 313 A HN 0.816 nan 8.150 nan 0.000 0.413 314 D N -0.538 119.783 120.400 -0.133 0.000 2.162 314 D HA 0.101 4.741 4.640 -0.000 0.000 0.203 314 D C 0.340 176.519 176.300 -0.202 0.000 0.967 314 D CA 1.621 55.599 54.000 -0.037 0.000 0.840 314 D CB 0.129 40.971 40.800 0.070 0.000 0.972 314 D HN 0.205 nan 8.370 nan 0.000 0.482 315 V N 0.547 120.202 119.914 -0.431 0.000 2.656 315 V HA 0.296 4.416 4.120 -0.000 0.000 0.307 315 V C -1.291 174.538 176.094 -0.442 0.000 1.051 315 V CA -0.871 61.185 62.300 -0.407 0.000 0.893 315 V CB 1.919 33.397 31.823 -0.574 0.000 0.999 315 V HN -0.055 nan 8.190 nan 0.000 0.426 316 Y N 2.698 122.995 120.300 -0.006 0.000 2.331 316 Y HA 0.685 5.235 4.550 -0.000 0.000 0.334 316 Y C -0.166 175.708 175.900 -0.044 0.000 0.960 316 Y CA -0.905 57.178 58.100 -0.029 0.000 1.130 316 Y CB 2.168 40.611 38.460 -0.029 0.000 1.164 316 Y HN 0.345 nan 8.280 nan 0.000 0.458 317 V N 5.522 125.413 119.914 -0.039 0.000 2.409 317 V HA 0.393 4.513 4.120 -0.000 0.000 0.291 317 V C -0.451 175.516 176.094 -0.211 0.000 1.020 317 V CA -0.891 61.269 62.300 -0.233 0.000 0.848 317 V CB 1.591 33.059 31.823 -0.592 0.000 0.990 317 V HN 0.593 nan 8.190 nan 0.000 0.430 318 L N 5.268 126.363 121.223 -0.213 0.000 2.262 318 L HA 0.555 4.895 4.340 -0.000 0.000 0.288 318 L C 0.357 177.125 176.870 -0.169 0.000 1.035 318 L CA -0.172 54.563 54.840 -0.176 0.000 0.820 318 L CB 1.482 43.417 42.059 -0.207 0.000 1.204 318 L HN 0.806 nan 8.230 nan 0.000 0.424 319 T N -1.569 112.921 114.554 -0.107 0.000 3.624 319 T HA 0.370 4.720 4.350 -0.000 0.000 0.244 319 T C 0.621 175.326 174.700 0.010 0.000 1.063 319 T CA -0.155 61.923 62.100 -0.036 0.000 1.252 319 T CB 1.019 69.868 68.868 -0.033 0.000 1.021 319 T HN 0.538 nan 8.240 nan 0.000 0.590 320 A N 0.791 123.625 122.820 0.024 0.000 2.307 320 A HA 0.777 5.096 4.320 -0.000 0.000 0.218 320 A C 1.379 179.040 177.584 0.129 0.000 1.228 320 A CA 0.085 52.159 52.037 0.062 0.000 0.857 320 A CB -0.716 18.314 19.000 0.051 0.000 0.897 320 A HN 1.732 nan 8.150 nan 0.000 0.495 321 G N -2.519 106.356 108.800 0.125 0.000 2.662 321 G HA2 0.266 4.226 3.960 -0.000 0.000 0.686 321 G HA3 0.266 4.226 3.960 -0.000 0.000 0.686 321 G C 0.743 175.748 174.900 0.175 0.000 1.271 321 G CA -0.304 44.880 45.100 0.141 0.000 0.816 321 G HN 1.276 nan 8.290 nan 0.000 0.608 322 A N -0.363 122.549 122.820 0.153 0.000 1.972 322 A HA 0.205 4.525 4.320 -0.000 0.000 0.219 322 A C 2.645 180.324 177.584 0.158 0.000 1.169 322 A CA 3.192 55.317 52.037 0.147 0.000 0.635 322 A CB -0.348 18.711 19.000 0.099 0.000 0.810 322 A HN 1.589 nan 8.150 nan 0.000 0.446 323 V N -0.931 119.037 119.914 0.090 0.000 2.302 323 V HA -0.205 3.915 4.120 -0.000 0.000 0.243 323 V C 2.211 178.339 176.094 0.055 0.000 1.036 323 V CA 2.161 64.482 62.300 0.035 0.000 1.020 323 V CB -1.034 30.694 31.823 -0.158 0.000 0.657 323 V HN 0.741 nan 8.190 nan 0.000 0.453 324 H N -0.318 118.828 119.070 0.126 0.000 2.502 324 H HA -0.020 4.536 4.556 -0.000 0.000 0.283 324 H C 2.247 177.568 175.328 -0.012 0.000 1.015 324 H CA 0.840 56.914 56.048 0.043 0.000 1.298 324 H CB 0.107 29.877 29.762 0.014 0.000 1.411 324 H HN 0.321 nan 8.280 nan 0.000 0.556 325 N N -0.076 118.701 118.700 0.127 0.000 2.084 325 N HA -0.120 4.620 4.740 -0.000 0.000 0.190 325 N C 1.767 177.259 175.510 -0.029 0.000 1.030 325 N CA 1.762 54.815 53.050 0.005 0.000 0.849 325 N CB -0.447 38.027 38.487 -0.021 0.000 1.012 325 N HN 0.311 nan 8.380 nan 0.000 0.423 326 T N 0.747 115.362 114.554 0.102 0.000 2.777 326 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 326 T C 1.832 176.394 174.700 -0.229 0.000 1.040 326 T CA 1.022 63.180 62.100 0.097 0.000 1.141 326 T CB -0.201 68.873 68.868 0.343 0.000 0.868 326 T HN 0.343 nan 8.240 nan 0.000 0.444 327 Q N 0.164 119.710 119.800 -0.425 0.000 2.096 327 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 327 Q C 2.303 178.020 176.000 -0.471 0.000 0.982 327 Q CA 1.223 56.456 55.803 -0.950 0.000 0.850 327 Q CB -0.238 28.257 28.738 -0.405 0.000 0.901 327 Q HN 0.367 nan 8.270 nan 0.000 0.422 328 L N 0.588 121.672 121.223 -0.233 0.000 2.056 328 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 328 L C 2.025 178.809 176.870 -0.144 0.000 1.078 328 L CA 1.517 56.262 54.840 -0.159 0.000 0.749 328 L CB -0.634 41.351 42.059 -0.123 0.000 0.901 328 L HN 0.299 nan 8.230 nan 0.000 0.433 329 L N -1.738 119.379 121.223 -0.176 0.000 2.017 329 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 329 L C 2.448 179.347 176.870 0.048 0.000 1.073 329 L CA 1.169 55.929 54.840 -0.133 0.000 0.745 329 L CB -0.725 41.157 42.059 -0.295 0.000 0.894 329 L HN 0.091 nan 8.230 nan 0.000 0.432 330 V N -0.039 119.833 119.914 -0.069 0.000 2.343 330 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 330 V C 2.121 178.199 176.094 -0.027 0.000 1.051 330 V CA 2.060 64.347 62.300 -0.022 0.000 1.036 330 V CB -0.733 31.058 31.823 -0.052 0.000 0.654 330 V HN 0.490 nan 8.190 nan 0.000 0.451 331 N N 0.068 118.708 118.700 -0.101 0.000 2.520 331 N HA -0.104 4.636 4.740 -0.000 0.000 0.185 331 N C 1.507 177.003 175.510 -0.022 0.000 1.068 331 N CA 1.199 54.214 53.050 -0.059 0.000 0.911 331 N CB -0.049 38.390 38.487 -0.080 0.000 0.961 331 N HN 0.433 nan 8.380 nan 0.000 0.446 332 S N -1.714 113.999 115.700 0.020 0.000 2.540 332 S HA 0.347 4.817 4.470 -0.000 0.000 0.218 332 S C 1.056 175.645 174.600 -0.019 0.000 0.977 332 S CA 0.200 58.421 58.200 0.035 0.000 0.918 332 S CB 0.747 64.020 63.200 0.122 0.000 0.806 332 S HN 0.509 nan 8.310 nan 0.000 0.496 333 G N 1.087 109.882 108.800 -0.009 0.000 2.163 333 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.213 333 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.213 333 G C -0.127 174.683 174.900 -0.151 0.000 0.991 333 G CA -0.655 44.387 45.100 -0.096 0.000 0.653 333 G HN 0.390 nan 8.290 nan 0.000 0.518 334 F N 0.876 120.804 119.950 -0.037 0.000 2.371 334 F HA 0.575 5.102 4.527 -0.000 0.000 0.329 334 F C 1.561 177.376 175.800 0.025 0.000 1.107 334 F CA 0.903 58.894 58.000 -0.015 0.000 1.137 334 F CB 1.090 40.051 39.000 -0.064 0.000 1.214 334 F HN 0.784 nan 8.300 nan 0.000 0.536 335 G N 1.856 110.803 108.800 0.246 0.000 2.564 335 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.273 335 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.273 335 G C -0.741 174.238 174.900 0.132 0.000 1.242 335 G CA -0.121 45.091 45.100 0.186 0.000 0.951 335 G HN 0.802 nan 8.290 nan 0.000 0.564 336 Q N -0.865 119.019 119.800 0.139 0.000 2.292 336 Q HA 0.608 4.948 4.340 -0.000 0.000 0.270 336 Q C -0.748 175.338 176.000 0.143 0.000 1.024 336 Q CA -0.960 54.904 55.803 0.101 0.000 0.768 336 Q CB 1.588 30.361 28.738 0.060 0.000 1.250 336 Q HN 0.785 nan 8.270 nan 0.000 0.447 337 L N 3.831 125.129 121.223 0.125 0.000 2.397 337 L HA 0.692 5.032 4.340 -0.000 0.000 0.271 337 L C 0.380 177.333 176.870 0.137 0.000 1.148 337 L CA 1.827 56.768 54.840 0.168 0.000 0.825 337 L CB 0.862 42.995 42.059 0.124 0.000 1.117 337 L HN 0.834 nan 8.230 nan 0.000 0.456 338 G N 3.678 112.612 108.800 0.224 0.000 2.685 338 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.387 338 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.387 338 G C -0.589 174.208 174.900 -0.171 0.000 1.324 338 G CA -0.195 44.994 45.100 0.149 0.000 0.878 338 G HN 0.936 nan 8.290 nan 0.000 0.527 339 R N 0.811 120.998 120.500 -0.522 0.000 2.489 339 R HA 0.416 4.756 4.340 -0.000 0.000 0.287 339 R C -1.919 173.922 176.300 -0.765 0.000 1.053 339 R CA -0.679 54.656 56.100 -1.275 0.000 1.036 339 R CB 0.085 29.950 30.300 -0.724 0.000 0.966 339 R HN 0.358 nan 8.270 nan 0.000 0.432 340 P HA -0.020 nan 4.420 nan 0.000 0.265 340 P C -1.336 175.799 177.300 -0.275 0.000 1.193 340 P CA 0.282 63.127 63.100 -0.424 0.000 0.765 340 P CB 0.405 31.880 31.700 -0.374 0.000 0.823 341 N N 3.092 121.691 118.700 -0.169 0.000 2.609 341 N HA 0.212 4.952 4.740 -0.000 0.000 0.268 341 N C -1.951 173.514 175.510 -0.074 0.000 1.106 341 N CA -1.745 51.236 53.050 -0.115 0.000 0.823 341 N CB 1.256 39.685 38.487 -0.097 0.000 1.263 341 N HN 0.154 nan 8.380 nan 0.000 0.533 342 P HA 0.055 nan 4.420 nan 0.000 0.241 342 P C 0.659 177.942 177.300 -0.029 0.000 1.191 342 P CA 0.338 63.413 63.100 -0.042 0.000 0.771 342 P CB 0.249 31.923 31.700 -0.043 0.000 0.929 343 A N -0.412 122.388 122.820 -0.033 0.000 2.252 343 A HA 0.030 4.350 4.320 -0.000 0.000 0.207 343 A C 1.088 178.660 177.584 -0.020 0.000 1.194 343 A CA 0.364 52.387 52.037 -0.024 0.000 0.809 343 A CB -0.872 18.113 19.000 -0.025 0.000 0.814 343 A HN 0.135 nan 8.150 nan 0.000 0.482 344 N N 0.439 119.126 118.700 -0.021 0.000 2.639 344 N HA 0.136 4.876 4.740 -0.000 0.000 0.265 344 N C -3.259 172.245 175.510 -0.010 0.000 1.689 344 N CA -0.639 52.400 53.050 -0.017 0.000 0.813 344 N CB 1.151 39.623 38.487 -0.025 0.000 1.353 344 N HN 0.112 nan 8.380 nan 0.000 0.510 345 P HA 0.159 nan 4.420 nan 0.000 0.265 345 P C -2.501 174.809 177.300 0.016 0.000 1.193 345 P CA -0.470 62.636 63.100 0.010 0.000 0.765 345 P CB -0.104 31.604 31.700 0.014 0.000 0.823 346 P HA 0.115 nan 4.420 nan 0.000 0.269 346 P C 0.992 178.314 177.300 0.037 0.000 1.215 346 P CA -0.052 63.071 63.100 0.037 0.000 0.780 346 P CB 1.111 32.849 31.700 0.064 0.000 0.898 347 E N 0.151 120.367 120.200 0.026 0.000 2.047 347 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 347 E C 0.247 176.875 176.600 0.048 0.000 0.987 347 E CA 0.938 57.351 56.400 0.022 0.000 0.799 347 E CB 0.044 29.742 29.700 -0.003 0.000 0.752 347 E HN 0.398 nan 8.360 nan 0.000 0.449 348 L N 0.877 122.140 121.223 0.066 0.000 2.346 348 L HA 0.283 4.623 4.340 -0.000 0.000 0.276 348 L C -0.034 176.957 176.870 0.202 0.000 1.006 348 L CA -0.700 54.221 54.840 0.135 0.000 0.817 348 L CB 1.829 43.935 42.059 0.078 0.000 1.272 348 L HN 0.129 nan 8.230 nan 0.000 0.421 349 L N 3.591 124.956 121.223 0.237 0.000 3.823 349 L HA -0.183 4.157 4.340 -0.000 0.000 0.525 349 L C -1.461 175.520 176.870 0.184 0.000 1.247 349 L CA -0.511 54.468 54.840 0.232 0.000 0.776 349 L CB -0.849 41.380 42.059 0.282 0.000 1.443 349 L HN 0.593 nan 8.230 nan 0.000 0.831 350 P HA -0.113 nan 4.420 nan 0.000 0.225 350 P C 1.210 178.603 177.300 0.156 0.000 1.148 350 P CA 1.059 64.234 63.100 0.126 0.000 0.779 350 P CB 0.331 32.086 31.700 0.091 0.000 0.780 351 S N -0.704 115.108 115.700 0.186 0.000 2.575 351 S HA 0.076 4.546 4.470 -0.000 0.000 0.215 351 S C 0.793 175.548 174.600 0.258 0.000 0.966 351 S CA -0.436 57.915 58.200 0.252 0.000 0.911 351 S CB -0.624 62.721 63.200 0.241 0.000 0.780 351 S HN 0.068 nan 8.310 nan 0.000 0.514 352 L N 2.490 123.846 121.223 0.222 0.000 2.559 352 L HA 0.399 4.739 4.340 -0.000 0.000 0.274 352 L C 1.169 178.182 176.870 0.239 0.000 1.205 352 L CA 1.203 56.178 54.840 0.225 0.000 0.907 352 L CB -0.435 41.747 42.059 0.205 0.000 1.153 352 L HN 0.343 nan 8.230 nan 0.000 0.490 353 G N 2.382 111.331 108.800 0.250 0.000 2.179 353 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 353 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 353 G C 0.467 175.491 174.900 0.208 0.000 0.977 353 G CA 0.326 45.570 45.100 0.241 0.000 0.641 353 G HN 0.833 nan 8.290 nan 0.000 0.533 354 S N -1.374 114.454 115.700 0.214 0.000 2.718 354 S HA 0.636 5.106 4.470 -0.000 0.000 0.300 354 S C 0.416 175.171 174.600 0.258 0.000 1.117 354 S CA 0.126 58.400 58.200 0.125 0.000 1.002 354 S CB 0.831 64.036 63.200 0.007 0.000 1.092 354 S HN 0.926 nan 8.310 nan 0.000 0.542 355 Y N -1.018 119.355 120.300 0.121 0.000 4.177 355 Y HA -0.211 4.339 4.550 -0.000 0.000 0.227 355 Y C 0.546 176.534 175.900 0.146 0.000 1.154 355 Y CA 0.216 58.386 58.100 0.118 0.000 1.887 355 Y CB -2.239 36.285 38.460 0.106 0.000 1.594 355 Y HN 0.611 nan 8.280 nan 0.000 0.668 356 I N -0.024 120.703 120.570 0.262 0.000 2.754 356 I HA 0.435 4.605 4.170 -0.000 0.000 0.285 356 I C 0.697 176.985 176.117 0.284 0.000 1.166 356 I CA 0.442 61.895 61.300 0.256 0.000 1.417 356 I CB 1.199 39.346 38.000 0.245 0.000 1.382 356 I HN 0.209 nan 8.210 nan 0.000 0.588 357 T N 1.853 116.537 114.554 0.216 0.000 2.863 357 T HA 0.690 5.040 4.350 -0.000 0.000 0.285 357 T C -0.644 174.086 174.700 0.050 0.000 1.009 357 T CA -0.690 61.523 62.100 0.188 0.000 0.989 357 T CB 2.118 71.048 68.868 0.103 0.000 1.004 357 T HN 0.822 nan 8.240 nan 0.000 0.455 358 E N 1.065 121.269 120.200 0.007 0.000 2.356 358 E HA 0.353 4.703 4.350 -0.000 0.000 0.275 358 E C -1.138 175.578 176.600 0.195 0.000 0.904 358 E CA -0.586 55.783 56.400 -0.050 0.000 0.757 358 E CB 2.083 31.537 29.700 -0.411 0.000 1.232 358 E HN 0.718 nan 8.360 nan 0.000 0.442 359 Q N 1.037 120.961 119.800 0.207 0.000 2.293 359 Q HA 0.456 4.796 4.340 -0.000 0.000 0.251 359 Q C -0.433 175.757 176.000 0.315 0.000 0.930 359 Q CA -0.426 55.544 55.803 0.279 0.000 0.893 359 Q CB 1.288 30.223 28.738 0.328 0.000 1.215 359 Q HN 0.451 nan 8.270 nan 0.000 0.425 360 S N 1.525 117.320 115.700 0.158 0.000 2.564 360 S HA 0.348 4.818 4.470 -0.000 0.000 0.278 360 S C -0.703 173.927 174.600 0.050 0.000 1.333 360 S CA -0.485 57.663 58.200 -0.086 0.000 1.048 360 S CB 0.400 63.437 63.200 -0.271 0.000 0.900 360 S HN 0.383 nan 8.310 nan 0.000 0.505 361 L N 4.497 125.719 121.223 -0.002 0.000 2.406 361 L HA 0.695 5.035 4.340 -0.000 0.000 0.272 361 L C -0.821 175.898 176.870 -0.252 0.000 0.980 361 L CA -0.644 54.098 54.840 -0.163 0.000 0.831 361 L CB 1.603 43.538 42.059 -0.206 0.000 1.253 361 L HN 0.470 nan 8.230 nan 0.000 0.406 362 V N 2.092 121.780 119.914 -0.377 0.000 2.667 362 V HA 0.757 4.877 4.120 -0.000 0.000 0.308 362 V C -1.003 174.938 176.094 -0.255 0.000 1.048 362 V CA -0.630 61.371 62.300 -0.499 0.000 0.928 362 V CB 1.649 32.996 31.823 -0.794 0.000 1.004 362 V HN 0.799 nan 8.190 nan 0.000 0.444 363 F N 4.806 124.526 119.950 -0.383 0.000 2.608 363 F HA 0.866 5.393 4.527 -0.000 0.000 0.309 363 F C -0.389 175.285 175.800 -0.209 0.000 1.103 363 F CA -0.248 57.619 58.000 -0.221 0.000 0.954 363 F CB 1.502 40.419 39.000 -0.139 0.000 1.267 363 F HN 1.215 nan 8.300 nan 0.000 0.444 364 C N 2.814 121.536 119.300 -0.963 0.000 3.320 364 C HA 0.812 5.272 4.460 -0.000 0.000 0.335 364 C C -1.689 172.801 174.990 -0.833 0.000 1.430 364 C CA -0.703 57.723 59.018 -0.986 0.000 1.271 364 C CB 1.676 29.069 27.740 -0.578 0.000 1.609 364 C HN 0.960 nan 8.230 nan 0.000 0.457 365 Q N 0.531 120.063 119.800 -0.446 0.000 2.387 365 Q HA 0.776 5.116 4.340 -0.000 0.000 0.273 365 Q C -0.514 175.534 176.000 0.079 0.000 1.089 365 Q CA -0.230 55.535 55.803 -0.063 0.000 0.824 365 Q CB 2.700 31.412 28.738 -0.045 0.000 1.367 365 Q HN 0.944 nan 8.270 nan 0.000 0.443 366 T N -2.600 112.074 114.554 0.200 0.000 2.924 366 T HA 0.700 5.050 4.350 -0.000 0.000 0.291 366 T C -0.595 174.170 174.700 0.108 0.000 1.045 366 T CA -0.731 61.450 62.100 0.134 0.000 1.015 366 T CB 1.238 70.197 68.868 0.152 0.000 1.103 366 T HN 0.259 nan 8.240 nan 0.000 0.496 367 V N 2.729 122.672 119.914 0.048 0.000 2.357 367 V HA 0.392 4.512 4.120 -0.000 0.000 0.284 367 V C 0.323 176.433 176.094 0.025 0.000 1.018 367 V CA -0.897 61.425 62.300 0.036 0.000 0.841 367 V CB 1.060 32.893 31.823 0.017 0.000 0.991 367 V HN 1.014 nan 8.190 nan 0.000 0.437 368 M N 4.756 124.381 119.600 0.040 0.000 2.248 368 M HA 0.057 4.537 4.480 -0.000 0.000 0.343 368 M C 0.900 177.208 176.300 0.014 0.000 1.243 368 M CA 0.748 56.071 55.300 0.038 0.000 1.025 368 M CB 0.571 33.191 32.600 0.034 0.000 1.759 368 M HN 0.924 nan 8.290 nan 0.000 0.452 369 S N 2.490 118.196 115.700 0.010 0.000 2.568 369 S HA 0.067 4.537 4.470 -0.000 0.000 0.282 369 S C 1.037 175.639 174.600 0.004 0.000 1.338 369 S CA -0.110 58.086 58.200 -0.006 0.000 1.045 369 S CB 0.494 63.687 63.200 -0.013 0.000 0.873 369 S HN 0.808 nan 8.310 nan 0.000 0.516 370 T N 2.278 116.831 114.554 -0.002 0.000 2.685 370 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 370 T C 1.605 176.312 174.700 0.013 0.000 1.034 370 T CA 2.083 64.187 62.100 0.005 0.000 1.149 370 T CB -0.526 68.342 68.868 -0.000 0.000 0.860 370 T HN 0.794 nan 8.240 nan 0.000 0.449 371 E N 0.513 120.718 120.200 0.008 0.000 2.077 371 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 371 E C 2.292 178.911 176.600 0.032 0.000 0.989 371 E CA 0.859 57.267 56.400 0.014 0.000 0.800 371 E CB -0.280 29.421 29.700 0.003 0.000 0.746 371 E HN 0.431 nan 8.360 nan 0.000 0.452 372 L N 0.763 122.007 121.223 0.035 0.000 2.046 372 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 372 L C 2.397 179.309 176.870 0.070 0.000 1.077 372 L CA 0.510 55.386 54.840 0.060 0.000 0.747 372 L CB -0.271 41.824 42.059 0.060 0.000 0.896 372 L HN 0.198 nan 8.230 nan 0.000 0.432 373 I N -0.079 120.518 120.570 0.046 0.000 2.179 373 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 373 I C 2.169 178.318 176.117 0.054 0.000 1.088 373 I CA 1.479 62.802 61.300 0.038 0.000 1.357 373 I CB -1.178 36.834 38.000 0.020 0.000 1.051 373 I HN 0.279 nan 8.210 nan 0.000 0.409 374 D N 0.789 121.219 120.400 0.051 0.000 2.149 374 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 374 D C 2.351 178.701 176.300 0.084 0.000 0.990 374 D CA 1.723 55.758 54.000 0.058 0.000 0.839 374 D CB -0.134 40.691 40.800 0.042 0.000 0.948 374 D HN 0.395 nan 8.370 nan 0.000 0.460 375 S N -0.078 115.683 115.700 0.102 0.000 2.447 375 S HA -0.092 4.378 4.470 -0.000 0.000 0.233 375 S C 2.164 176.918 174.600 0.256 0.000 1.006 375 S CA 0.557 58.848 58.200 0.151 0.000 0.957 375 S CB -0.462 62.822 63.200 0.141 0.000 0.773 375 S HN 0.079 nan 8.310 nan 0.000 0.507 376 V N 3.013 123.053 119.914 0.211 0.000 2.392 376 V HA -0.171 3.949 4.120 -0.000 0.000 0.249 376 V C 2.196 178.440 176.094 0.251 0.000 1.059 376 V CA 2.156 64.613 62.300 0.262 0.000 1.051 376 V CB -0.800 31.087 31.823 0.107 0.000 0.658 376 V HN 0.824 nan 8.190 nan 0.000 0.455 377 K N 0.266 120.766 120.400 0.167 0.000 2.498 377 K HA 0.178 4.498 4.320 -0.000 0.000 0.207 377 K C 1.542 178.209 176.600 0.112 0.000 1.033 377 K CA 0.662 57.029 56.287 0.133 0.000 1.138 377 K CB 0.196 32.756 32.500 0.101 0.000 0.860 377 K HN 0.418 nan 8.250 nan 0.000 0.490 378 S N 0.668 116.448 115.700 0.132 0.000 2.419 378 S HA -0.151 4.319 4.470 -0.000 0.000 0.233 378 S C 0.939 175.553 174.600 0.024 0.000 1.016 378 S CA 1.182 59.420 58.200 0.062 0.000 0.974 378 S CB -0.226 62.988 63.200 0.024 0.000 0.786 378 S HN 0.309 nan 8.310 nan 0.000 0.492 379 D N 0.732 121.156 120.400 0.039 0.000 2.339 379 D HA 0.233 4.873 4.640 -0.000 0.000 0.217 379 D C 0.084 176.425 176.300 0.069 0.000 1.050 379 D CA 0.273 54.285 54.000 0.019 0.000 0.856 379 D CB -0.015 40.776 40.800 -0.015 0.000 0.922 379 D HN 0.360 nan 8.370 nan 0.000 0.518 380 M N 0.397 120.039 119.600 0.069 0.000 2.249 380 M HA 0.218 4.698 4.480 -0.000 0.000 0.351 380 M C 0.256 176.585 176.300 0.050 0.000 1.180 380 M CA -0.033 55.316 55.300 0.081 0.000 1.127 380 M CB 1.170 33.810 32.600 0.067 0.000 1.546 380 M HN -0.338 nan 8.290 nan 0.000 0.461 381 T N 4.685 119.263 114.554 0.040 0.000 2.749 381 T HA 0.657 5.007 4.350 -0.000 0.000 0.287 381 T C 0.090 174.772 174.700 -0.030 0.000 0.970 381 T CA -0.307 61.796 62.100 0.005 0.000 0.980 381 T CB 0.402 69.269 68.868 -0.002 0.000 0.924 381 T HN 0.422 nan 8.240 nan 0.000 0.456 382 I N 3.379 123.930 120.570 -0.031 0.000 2.433 382 I HA 0.482 4.652 4.170 -0.000 0.000 0.292 382 I C 0.339 176.429 176.117 -0.044 0.000 1.001 382 I CA -0.837 60.420 61.300 -0.071 0.000 1.119 382 I CB 1.812 39.807 38.000 -0.010 0.000 1.289 382 I HN 0.245 nan 8.210 nan 0.000 0.438 383 R N 4.160 124.608 120.500 -0.088 0.000 2.409 383 R HA 0.591 4.931 4.340 -0.000 0.000 0.313 383 R C 0.063 176.388 176.300 0.040 0.000 0.953 383 R CA -0.073 56.011 56.100 -0.028 0.000 0.849 383 R CB 1.794 32.064 30.300 -0.050 0.000 1.171 383 R HN 0.967 nan 8.270 nan 0.000 0.458 384 G N 1.812 110.669 108.800 0.096 0.000 2.693 384 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.226 384 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.226 384 G C -0.519 174.533 174.900 0.253 0.000 1.354 384 G CA -0.279 44.916 45.100 0.158 0.000 0.873 384 G HN 0.605 nan 8.290 nan 0.000 0.562 385 T N -0.751 113.919 114.554 0.193 0.000 2.918 385 T HA 0.713 5.063 4.350 -0.000 0.000 0.286 385 T C -2.801 171.762 174.700 -0.229 0.000 1.026 385 T CA -1.481 60.661 62.100 0.069 0.000 1.031 385 T CB 2.280 71.150 68.868 0.005 0.000 1.046 385 T HN 0.526 nan 8.240 nan 0.000 0.479 386 P HA 0.252 nan 4.420 nan 0.000 0.265 386 P C 1.256 178.255 177.300 -0.501 0.000 1.187 386 P CA 1.302 63.745 63.100 -1.095 0.000 0.766 386 P CB 0.137 31.462 31.700 -0.624 0.000 0.820 387 G N 0.982 109.547 108.800 -0.392 0.000 2.284 387 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.247 387 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.247 387 G C 0.149 175.000 174.900 -0.082 0.000 1.012 387 G CA -0.212 44.790 45.100 -0.163 0.000 0.618 387 G HN 0.566 nan 8.290 nan 0.000 0.521 388 E N 0.289 120.450 120.200 -0.065 0.000 2.373 388 E HA 0.382 4.732 4.350 -0.000 0.000 0.263 388 E C 1.448 178.080 176.600 0.053 0.000 1.073 388 E CA -0.418 55.988 56.400 0.011 0.000 0.894 388 E CB 1.273 30.995 29.700 0.038 0.000 1.008 388 E HN 0.152 nan 8.360 nan 0.000 0.420 389 L N 2.746 123.995 121.223 0.044 0.000 2.021 389 L HA -0.235 4.105 4.340 -0.000 0.000 0.215 389 L C 2.073 178.985 176.870 0.069 0.000 1.074 389 L CA 2.603 57.471 54.840 0.047 0.000 0.760 389 L CB -0.677 41.401 42.059 0.032 0.000 0.889 389 L HN 0.741 nan 8.230 nan 0.000 0.433 390 T N -4.056 110.545 114.554 0.078 0.000 3.186 390 T HA 0.056 4.406 4.350 -0.000 0.000 0.257 390 T C 0.373 175.136 174.700 0.106 0.000 1.029 390 T CA -0.513 61.629 62.100 0.070 0.000 0.916 390 T CB -0.902 67.991 68.868 0.043 0.000 1.041 390 T HN 0.161 nan 8.240 nan 0.000 0.562 391 Y N 2.655 122.957 120.300 0.004 0.000 2.805 391 Y HA 0.335 4.885 4.550 -0.000 0.000 0.331 391 Y C 0.257 176.161 175.900 0.007 0.000 1.241 391 Y CA -0.039 58.064 58.100 0.006 0.000 1.546 391 Y CB 0.057 38.519 38.460 0.004 0.000 1.248 391 Y HN 0.270 nan 8.280 nan 0.000 0.559 392 S N 4.887 120.335 115.700 -0.420 0.000 2.571 392 S HA 0.724 5.194 4.470 -0.000 0.000 0.284 392 S C -1.768 172.544 174.600 -0.479 0.000 1.128 392 S CA -0.740 57.251 58.200 -0.349 0.000 0.970 392 S CB 0.898 64.007 63.200 -0.151 0.000 1.039 392 S HN 0.453 nan 8.310 nan 0.000 0.485 393 V N 4.521 124.219 119.914 -0.360 0.000 2.444 393 V HA 0.725 4.845 4.120 -0.000 0.000 0.294 393 V C 0.069 176.129 176.094 -0.056 0.000 1.022 393 V CA -0.474 61.696 62.300 -0.216 0.000 0.850 393 V CB 1.320 33.040 31.823 -0.173 0.000 0.992 393 V HN 1.022 nan 8.190 nan 0.000 0.426 394 T N 1.742 116.293 114.554 -0.004 0.000 2.865 394 T HA 0.879 5.229 4.350 -0.000 0.000 0.294 394 T C -1.012 173.780 174.700 0.153 0.000 1.119 394 T CA -0.766 61.365 62.100 0.051 0.000 1.007 394 T CB 2.374 71.222 68.868 -0.033 0.000 1.225 394 T HN 0.818 nan 8.240 nan 0.000 0.515 395 Y N -1.874 118.418 120.300 -0.013 0.000 2.689 395 Y HA 0.791 5.341 4.550 -0.000 0.000 0.333 395 Y C -1.022 174.872 175.900 -0.012 0.000 1.190 395 Y CA -1.319 56.774 58.100 -0.010 0.000 1.063 395 Y CB 0.888 39.349 38.460 0.002 0.000 1.294 395 Y HN 0.641 nan 8.280 nan 0.000 0.466 396 T N 3.941 118.459 114.554 -0.061 0.000 2.801 396 T HA 0.411 4.761 4.350 -0.000 0.000 0.306 396 T C -2.834 171.839 174.700 -0.044 0.000 1.020 396 T CA -1.354 60.658 62.100 -0.147 0.000 0.948 396 T CB 0.716 69.555 68.868 -0.049 0.000 0.962 396 T HN 0.353 nan 8.240 nan 0.000 0.465 397 P HA 0.174 nan 4.420 nan 0.000 0.262 397 P C 1.095 178.422 177.300 0.046 0.000 1.182 397 P CA 0.846 63.984 63.100 0.063 0.000 0.761 397 P CB 0.305 32.001 31.700 -0.005 0.000 0.795 398 G N 2.015 110.859 108.800 0.072 0.000 2.168 398 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.263 398 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.263 398 G C 0.472 175.378 174.900 0.011 0.000 0.977 398 G CA 0.032 45.151 45.100 0.033 0.000 0.659 398 G HN 0.857 nan 8.290 nan 0.000 0.533 399 A N 0.387 123.214 122.820 0.012 0.000 2.462 399 A HA 0.682 5.002 4.320 -0.000 0.000 0.243 399 A C 1.765 179.335 177.584 -0.024 0.000 1.076 399 A CA 1.189 53.222 52.037 -0.007 0.000 0.773 399 A CB 0.408 19.406 19.000 -0.004 0.000 1.010 399 A HN 1.696 nan 8.150 nan 0.000 0.493 400 S N 1.104 116.788 115.700 -0.028 0.000 2.423 400 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 400 S C 1.439 176.006 174.600 -0.054 0.000 1.014 400 S CA 1.692 59.869 58.200 -0.037 0.000 0.965 400 S CB -0.861 62.321 63.200 -0.030 0.000 0.785 400 S HN 1.221 nan 8.310 nan 0.000 0.495 401 T N -0.826 113.696 114.554 -0.053 0.000 3.148 401 T HA 0.195 4.545 4.350 -0.000 0.000 0.253 401 T C 0.391 175.030 174.700 -0.100 0.000 1.134 401 T CA -0.407 61.652 62.100 -0.069 0.000 1.051 401 T CB -0.637 68.200 68.868 -0.051 0.000 0.959 401 T HN 0.196 nan 8.240 nan 0.000 0.525 402 N N 2.177 120.816 118.700 -0.102 0.000 2.483 402 N HA 0.208 4.948 4.740 -0.000 0.000 0.264 402 N C 0.779 176.128 175.510 -0.267 0.000 1.197 402 N CA 0.000 52.957 53.050 -0.155 0.000 0.927 402 N CB 1.142 39.562 38.487 -0.112 0.000 1.065 402 N HN 0.379 nan 8.380 nan 0.000 0.461 403 K N 1.008 121.144 120.400 -0.440 0.000 2.365 403 K HA 0.046 4.366 4.320 -0.000 0.000 0.197 403 K C -0.104 175.923 176.600 -0.955 0.000 1.042 403 K CA 0.705 56.579 56.287 -0.688 0.000 0.987 403 K CB 0.176 32.180 32.500 -0.825 0.000 0.779 403 K HN 0.546 nan 8.250 nan 0.000 0.484 404 H N -0.514 118.230 119.070 -0.545 0.000 2.797 404 H HA 0.311 4.867 4.556 -0.000 0.000 0.372 404 H C -2.518 172.469 175.328 -0.567 0.000 1.168 404 H CA -2.858 52.690 56.048 -0.833 0.000 1.163 404 H CB 1.219 30.030 29.762 -1.585 0.000 1.778 404 H HN -0.146 nan 8.280 nan 0.000 0.551 405 P HA 0.039 nan 4.420 nan 0.000 0.274 405 P C 0.329 177.406 177.300 -0.372 0.000 1.246 405 P CA -0.291 62.589 63.100 -0.367 0.000 0.795 405 P CB 1.258 32.699 31.700 -0.431 0.000 1.006 406 D N 0.303 120.626 120.400 -0.128 0.000 2.149 406 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 406 D C 1.890 178.199 176.300 0.015 0.000 0.990 406 D CA 1.348 55.361 54.000 0.021 0.000 0.839 406 D CB -0.518 40.397 40.800 0.191 0.000 0.948 406 D HN 0.622 nan 8.370 nan 0.000 0.460 407 W N 0.164 121.538 121.300 0.124 0.000 2.374 407 W HA -0.118 4.542 4.660 -0.000 0.000 0.288 407 W C 1.911 178.505 176.519 0.124 0.000 1.218 407 W CA 0.057 57.468 57.345 0.111 0.000 1.245 407 W CB -1.241 28.278 29.460 0.099 0.000 1.126 407 W HN 0.052 nan 8.180 nan 0.000 0.545 408 W N 3.529 124.358 121.300 -0.785 0.000 2.413 408 W HA -0.134 4.526 4.660 -0.000 0.000 0.315 408 W C 1.909 178.170 176.519 -0.431 0.000 1.186 408 W CA 1.552 58.459 57.345 -0.729 0.000 1.326 408 W CB -1.089 27.697 29.460 -1.123 0.000 1.153 408 W HN -0.153 nan 8.180 nan 0.000 0.489 409 N N 1.100 119.741 118.700 -0.097 0.000 2.104 409 N HA -0.233 4.506 4.740 -0.000 0.000 0.190 409 N C 1.509 176.698 175.510 -0.534 0.000 1.024 409 N CA 2.172 54.944 53.050 -0.464 0.000 0.853 409 N CB -0.791 37.046 38.487 -1.084 0.000 1.008 409 N HN 0.234 nan 8.380 nan 0.000 0.424 410 E N 1.289 121.304 120.200 -0.310 0.000 2.077 410 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 410 E C 1.609 178.247 176.600 0.064 0.000 0.989 410 E CA 1.369 57.791 56.400 0.037 0.000 0.800 410 E CB 0.037 29.851 29.700 0.190 0.000 0.746 410 E HN 0.308 nan 8.360 nan 0.000 0.452 411 K N -0.586 119.842 120.400 0.048 0.000 2.057 411 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 411 K C 2.122 178.737 176.600 0.024 0.000 1.050 411 K CA 1.260 57.575 56.287 0.047 0.000 0.935 411 K CB -0.082 32.435 32.500 0.029 0.000 0.715 411 K HN 0.012 nan 8.250 nan 0.000 0.439 412 V N 2.181 122.075 119.914 -0.033 0.000 2.295 412 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 412 V C 2.403 178.545 176.094 0.080 0.000 1.049 412 V CA 1.799 64.101 62.300 0.004 0.000 1.024 412 V CB -0.455 31.365 31.823 -0.005 0.000 0.648 412 V HN 0.359 nan 8.190 nan 0.000 0.447 413 K N 0.251 120.685 120.400 0.057 0.000 2.032 413 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 413 K C 1.981 178.646 176.600 0.107 0.000 1.048 413 K CA 2.093 58.442 56.287 0.103 0.000 0.927 413 K CB -0.238 32.375 32.500 0.189 0.000 0.712 413 K HN 0.432 nan 8.250 nan 0.000 0.441 414 N N 0.243 119.013 118.700 0.117 0.000 2.171 414 N HA -0.162 4.578 4.740 -0.000 0.000 0.184 414 N C 1.760 177.346 175.510 0.127 0.000 1.021 414 N CA 1.304 54.421 53.050 0.111 0.000 0.854 414 N CB -0.596 37.961 38.487 0.116 0.000 0.994 414 N HN 0.429 nan 8.380 nan 0.000 0.426 415 H N 0.888 120.004 119.070 0.077 0.000 2.319 415 H HA 0.056 4.612 4.556 -0.000 0.000 0.299 415 H C 2.022 177.425 175.328 0.125 0.000 1.092 415 H CA 1.838 57.953 56.048 0.111 0.000 1.302 415 H CB -0.146 29.602 29.762 -0.024 0.000 1.373 415 H HN 0.097 nan 8.280 nan 0.000 0.497 416 M N -0.922 118.677 119.600 -0.002 0.000 2.296 416 M HA -0.139 4.341 4.480 -0.000 0.000 0.265 416 M C 1.631 177.989 176.300 0.095 0.000 1.064 416 M CA 1.088 56.401 55.300 0.023 0.000 1.109 416 M CB 0.073 32.756 32.600 0.139 0.000 1.396 416 M HN 0.356 nan 8.290 nan 0.000 0.430 417 M N -0.651 118.986 119.600 0.062 0.000 2.357 417 M HA -0.025 4.455 4.480 -0.000 0.000 0.266 417 M C 1.926 178.224 176.300 -0.004 0.000 1.095 417 M CA 1.262 56.610 55.300 0.080 0.000 1.156 417 M CB -0.691 31.935 32.600 0.043 0.000 1.365 417 M HN 0.164 nan 8.290 nan 0.000 0.447 418 Q N -0.477 119.262 119.800 -0.101 0.000 2.389 418 Q HA 0.026 4.366 4.340 -0.000 0.000 0.204 418 Q C 0.087 175.755 176.000 -0.555 0.000 0.944 418 Q CA 0.870 56.503 55.803 -0.284 0.000 0.908 418 Q CB 0.208 28.761 28.738 -0.308 0.000 1.002 418 Q HN 0.540 nan 8.270 nan 0.000 0.493 419 H N 0.192 119.205 119.070 -0.096 0.000 2.439 419 H HA 0.256 4.812 4.556 -0.000 0.000 0.228 419 H C 0.316 175.568 175.328 -0.127 0.000 1.423 419 H CA -0.100 55.891 56.048 -0.096 0.000 1.386 419 H CB 0.494 30.176 29.762 -0.133 0.000 1.641 419 H HN 0.209 nan 8.280 nan 0.000 0.508 420 Q N 0.616 120.405 119.800 -0.018 0.000 2.369 420 Q HA -0.105 4.235 4.340 -0.000 0.000 0.206 420 Q C 1.930 177.892 176.000 -0.064 0.000 0.963 420 Q CA 0.797 56.553 55.803 -0.077 0.000 0.894 420 Q CB 0.448 29.098 28.738 -0.147 0.000 0.965 420 Q HN 0.525 nan 8.270 nan 0.000 0.475 421 E N 1.206 121.412 120.200 0.010 0.000 2.274 421 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 421 E C -0.206 176.430 176.600 0.061 0.000 0.996 421 E CA 0.696 57.115 56.400 0.031 0.000 0.840 421 E CB -0.062 29.677 29.700 0.065 0.000 0.772 421 E HN 0.178 nan 8.360 nan 0.000 0.491 422 D N 1.924 122.378 120.400 0.089 0.000 2.225 422 D HA 0.113 4.753 4.640 -0.000 0.000 0.248 422 D C -1.572 174.776 176.300 0.081 0.000 1.096 422 D CA -2.130 51.946 54.000 0.126 0.000 0.863 422 D CB 1.594 42.502 40.800 0.180 0.000 1.156 422 D HN -0.169 nan 8.370 nan 0.000 0.450 423 P HA 0.081 nan 4.420 nan 0.000 0.241 423 P C -0.174 177.164 177.300 0.062 0.000 1.191 423 P CA 0.276 63.409 63.100 0.056 0.000 0.771 423 P CB 0.367 32.094 31.700 0.045 0.000 0.929 424 L N 1.595 122.862 121.223 0.072 0.000 2.331 424 L HA 0.378 4.718 4.340 -0.000 0.000 0.275 424 L C -1.417 175.482 176.870 0.050 0.000 1.022 424 L CA -2.256 52.600 54.840 0.027 0.000 0.812 424 L CB 2.321 44.359 42.059 -0.035 0.000 1.257 424 L HN -0.297 nan 8.230 nan 0.000 0.435 425 P HA 0.097 nan 4.420 nan 0.000 0.255 425 P C 0.246 177.410 177.300 -0.226 0.000 1.248 425 P CA 0.446 63.557 63.100 0.019 0.000 0.807 425 P CB 0.439 32.155 31.700 0.027 0.000 1.150 426 I N 2.507 122.843 120.570 -0.390 0.000 2.416 426 I HA 0.185 4.355 4.170 -0.000 0.000 0.288 426 I C -2.069 173.528 176.117 -0.866 0.000 1.051 426 I CA -2.579 58.425 61.300 -0.494 0.000 1.375 426 I CB 0.548 38.348 38.000 -0.333 0.000 1.407 426 I HN -0.205 nan 8.210 nan 0.000 0.516 427 P HA 0.023 nan 4.420 nan 0.000 0.269 427 P C 0.251 177.295 177.300 -0.428 0.000 1.215 427 P CA -0.002 62.721 63.100 -0.628 0.000 0.780 427 P CB 0.395 31.971 31.700 -0.206 0.000 0.898 428 F N 0.326 120.180 119.950 -0.160 0.000 2.234 428 F HA -0.082 4.445 4.527 -0.000 0.000 0.299 428 F C 1.622 177.387 175.800 -0.060 0.000 1.087 428 F CA 1.562 59.499 58.000 -0.105 0.000 1.340 428 F CB -0.605 38.341 39.000 -0.091 0.000 1.031 428 F HN 0.371 nan 8.300 nan 0.000 0.500 429 E N -0.125 120.158 120.200 0.138 0.000 2.499 429 E HA 0.025 4.375 4.350 -0.000 0.000 0.207 429 E C -0.494 176.129 176.600 0.039 0.000 1.034 429 E CA -0.285 56.169 56.400 0.090 0.000 1.098 429 E CB -0.184 29.571 29.700 0.092 0.000 1.148 429 E HN 0.127 nan 8.360 nan 0.000 0.447 430 D N 2.442 122.843 120.400 0.001 0.000 2.450 430 D HA 0.031 4.671 4.640 -0.000 0.000 0.247 430 D C -2.247 174.069 176.300 0.027 0.000 1.162 430 D CA -1.590 52.396 54.000 -0.023 0.000 0.879 430 D CB 0.801 41.547 40.800 -0.090 0.000 1.163 430 D HN -0.088 nan 8.370 nan 0.000 0.472 431 P HA 0.081 nan 4.420 nan 0.000 0.271 431 P C -0.673 176.749 177.300 0.204 0.000 1.233 431 P CA -0.200 62.995 63.100 0.158 0.000 0.789 431 P CB 0.464 32.243 31.700 0.132 0.000 0.951 432 E N 2.004 122.357 120.200 0.255 0.000 2.390 432 E HA 0.162 4.512 4.350 -0.000 0.000 0.261 432 E C -1.917 174.699 176.600 0.027 0.000 1.076 432 E CA -1.298 55.147 56.400 0.074 0.000 0.905 432 E CB -0.769 28.917 29.700 -0.024 0.000 0.984 432 E HN 0.378 nan 8.360 nan 0.000 0.427 433 P HA 0.042 nan 4.420 nan 0.000 0.271 433 P C -0.762 176.562 177.300 0.040 0.000 1.218 433 P CA -0.170 63.000 63.100 0.116 0.000 0.780 433 P CB 0.674 32.403 31.700 0.049 0.000 0.901 434 Q N 0.985 120.922 119.800 0.228 0.000 3.007 434 Q HA 0.267 4.607 4.340 -0.000 0.000 0.321 434 Q C -0.828 175.300 176.000 0.214 0.000 0.784 434 Q CA -0.310 55.515 55.803 0.037 0.000 0.990 434 Q CB 0.934 29.456 28.738 -0.361 0.000 1.493 434 Q HN 0.204 nan 8.270 nan 0.000 0.382 435 V N 0.573 120.574 119.914 0.146 0.000 2.612 435 V HA 0.726 4.846 4.120 -0.000 0.000 0.301 435 V C 0.290 176.418 176.094 0.057 0.000 1.046 435 V CA -0.248 62.120 62.300 0.112 0.000 0.946 435 V CB 1.943 33.761 31.823 -0.009 0.000 1.003 435 V HN 0.367 nan 8.190 nan 0.000 0.459 436 T N 1.868 116.482 114.554 0.099 0.000 2.923 436 T HA 0.475 4.825 4.350 -0.000 0.000 0.311 436 T C -0.929 173.727 174.700 -0.073 0.000 1.183 436 T CA -0.335 61.762 62.100 -0.004 0.000 1.020 436 T CB 1.854 70.704 68.868 -0.029 0.000 1.165 436 T HN 0.830 nan 8.240 nan 0.000 0.482 437 T N 4.621 118.978 114.554 -0.329 0.000 2.791 437 T HA 0.608 4.958 4.350 -0.000 0.000 0.288 437 T C -0.095 174.464 174.700 -0.234 0.000 0.999 437 T CA -0.614 61.148 62.100 -0.565 0.000 0.952 437 T CB -0.074 68.001 68.868 -1.321 0.000 0.938 437 T HN 0.533 nan 8.240 nan 0.000 0.444 438 L N 4.379 125.550 121.223 -0.088 0.000 2.467 438 L HA 0.376 4.716 4.340 -0.000 0.000 0.270 438 L C 0.769 177.662 176.870 0.039 0.000 1.205 438 L CA -0.888 53.989 54.840 0.061 0.000 0.828 438 L CB 0.167 42.258 42.059 0.054 0.000 1.101 438 L HN 0.627 nan 8.230 nan 0.000 0.479 439 F N 2.825 122.722 119.950 -0.088 0.000 2.568 439 F HA -0.102 4.425 4.527 -0.000 0.000 0.394 439 F C 0.299 175.854 175.800 -0.408 0.000 1.032 439 F CA 0.678 58.531 58.000 -0.245 0.000 1.242 439 F CB 0.089 38.996 39.000 -0.156 0.000 0.966 439 F HN 0.395 nan 8.300 nan 0.000 0.560 440 Q N 6.546 125.881 119.800 -0.774 0.000 2.501 440 Q HA 0.263 4.603 4.340 -0.000 0.000 0.288 440 Q C -2.018 173.553 176.000 -0.715 0.000 1.051 440 Q CA -1.743 53.679 55.803 -0.635 0.000 0.788 440 Q CB 1.377 29.601 28.738 -0.856 0.000 1.469 440 Q HN 0.224 nan 8.270 nan 0.000 0.416 441 P HA -0.174 nan 4.420 nan 0.000 0.216 441 P C 1.123 178.214 177.300 -0.349 0.000 1.150 441 P CA 1.865 64.800 63.100 -0.275 0.000 0.843 441 P CB 0.251 31.878 31.700 -0.122 0.000 0.787 442 S N -1.661 113.829 115.700 -0.349 0.000 2.558 442 S HA -0.065 4.405 4.470 -0.000 0.000 0.217 442 S C 0.491 174.902 174.600 -0.314 0.000 0.975 442 S CA -0.063 58.000 58.200 -0.227 0.000 0.912 442 S CB -1.225 61.943 63.200 -0.054 0.000 0.776 442 S HN 0.420 nan 8.310 nan 0.000 0.526 443 H N -0.992 117.635 119.070 -0.738 0.000 2.538 443 H HA 0.476 5.032 4.556 -0.000 0.000 0.239 443 H C -3.200 170.987 175.328 -1.901 0.000 1.401 443 H CA -1.805 53.391 56.048 -1.420 0.000 1.499 443 H CB 0.605 29.804 29.762 -0.939 0.000 1.624 443 H HN 0.061 nan 8.280 nan 0.000 0.524 444 P HA 0.085 nan 4.420 nan 0.000 0.220 444 P C -1.302 175.333 177.300 -1.109 0.000 1.806 444 P CA 0.146 62.147 63.100 -1.832 0.000 0.976 444 P CB -1.018 30.134 31.700 -0.913 0.000 1.952 445 W N -0.145 120.766 121.300 -0.648 0.000 3.296 445 W HA 0.497 5.156 4.660 -0.000 0.000 0.314 445 W C -1.064 175.527 176.519 0.120 0.000 1.238 445 W CA -1.291 56.043 57.345 -0.019 0.000 1.193 445 W CB 0.024 29.516 29.460 0.054 0.000 1.383 445 W HN 0.007 nan 8.180 nan 0.000 0.545 446 H N 1.340 120.682 119.070 0.454 0.000 2.562 446 H HA 0.685 5.241 4.556 -0.000 0.000 0.352 446 H C -0.084 175.409 175.328 0.275 0.000 1.125 446 H CA 0.617 56.840 56.048 0.293 0.000 1.379 446 H CB 1.428 31.317 29.762 0.212 0.000 1.464 446 H HN 0.583 nan 8.280 nan 0.000 0.563 447 T N 2.285 116.491 114.554 -0.580 0.000 2.876 447 T HA 0.509 4.859 4.350 -0.000 0.000 0.289 447 T C -0.805 173.607 174.700 -0.480 0.000 1.014 447 T CA -1.129 60.638 62.100 -0.555 0.000 0.986 447 T CB 1.714 70.125 68.868 -0.761 0.000 1.021 447 T HN 0.686 nan 8.240 nan 0.000 0.458 448 Q N 1.669 121.388 119.800 -0.135 0.000 2.305 448 Q HA 0.581 4.921 4.340 -0.000 0.000 0.271 448 Q C -1.338 174.583 176.000 -0.131 0.000 1.046 448 Q CA -0.712 54.950 55.803 -0.235 0.000 0.798 448 Q CB 2.709 31.171 28.738 -0.460 0.000 1.286 448 Q HN 0.709 nan 8.270 nan 0.000 0.435 449 I N 3.353 123.814 120.570 -0.182 0.000 2.521 449 I HA 0.344 4.514 4.170 -0.000 0.000 0.277 449 I C -0.518 175.522 176.117 -0.129 0.000 1.054 449 I CA -0.189 60.883 61.300 -0.379 0.000 1.117 449 I CB 0.573 38.215 38.000 -0.597 0.000 1.217 449 I HN 0.730 nan 8.210 nan 0.000 0.469 450 H N 3.453 122.369 119.070 -0.257 0.000 2.888 450 H HA 0.683 5.239 4.556 -0.000 0.000 0.267 450 H C -1.304 173.982 175.328 -0.071 0.000 1.482 450 H CA -1.355 54.620 56.048 -0.121 0.000 1.165 450 H CB 1.458 31.183 29.762 -0.061 0.000 1.866 450 H HN 0.109 nan 8.280 nan 0.000 0.599 451 R N 1.325 121.646 120.500 -0.298 0.000 2.533 451 R HA 0.407 4.747 4.340 -0.000 0.000 0.288 451 R C -1.661 174.434 176.300 -0.342 0.000 1.039 451 R CA -0.565 55.339 56.100 -0.327 0.000 0.909 451 R CB 1.838 32.058 30.300 -0.133 0.000 1.195 451 R HN 0.847 nan 8.270 nan 0.000 0.438 452 D N 0.333 120.544 120.400 -0.316 0.000 2.665 452 D HA 0.459 5.099 4.640 -0.000 0.000 0.287 452 D C -1.338 174.882 176.300 -0.134 0.000 1.266 452 D CA -0.415 53.437 54.000 -0.246 0.000 0.830 452 D CB 2.434 43.057 40.800 -0.294 0.000 1.356 452 D HN 0.487 nan 8.370 nan 0.000 0.437 453 A N 1.221 123.886 122.820 -0.259 0.000 2.276 453 A HA 0.637 4.957 4.320 -0.000 0.000 0.300 453 A C -0.993 176.360 177.584 -0.385 0.000 1.235 453 A CA -0.057 51.888 52.037 -0.153 0.000 0.867 453 A CB -0.208 18.804 19.000 0.020 0.000 1.137 453 A HN 0.322 nan 8.150 nan 0.000 0.527 454 F N 0.525 120.333 119.950 -0.238 0.000 2.782 454 F HA 0.405 4.932 4.527 -0.000 0.000 0.366 454 F C 1.806 177.432 175.800 -0.290 0.000 1.171 454 F CA 0.198 58.021 58.000 -0.295 0.000 1.064 454 F CB 1.286 39.900 39.000 -0.643 0.000 1.449 454 F HN 0.535 nan 8.300 nan 0.000 0.520 455 S N -0.878 114.834 115.700 0.020 0.000 2.555 455 S HA 0.020 4.490 4.470 -0.000 0.000 0.230 455 S C -0.350 174.287 174.600 0.062 0.000 0.978 455 S CA 0.594 58.805 58.200 0.019 0.000 0.934 455 S CB -1.078 62.170 63.200 0.079 0.000 0.766 455 S HN 0.534 nan 8.310 nan 0.000 0.533 456 Y N -3.566 116.703 120.300 -0.051 0.000 2.638 456 Y HA 0.737 5.286 4.550 -0.000 0.000 0.339 456 Y C 0.736 176.551 175.900 -0.142 0.000 1.084 456 Y CA -1.071 56.951 58.100 -0.129 0.000 1.068 456 Y CB 0.734 39.049 38.460 -0.241 0.000 1.294 456 Y HN 0.179 nan 8.280 nan 0.000 0.480 457 G N -0.312 108.456 108.800 -0.052 0.000 2.137 457 G HA2 0.032 3.992 3.960 -0.000 0.000 0.237 457 G HA3 0.032 3.992 3.960 -0.000 0.000 0.237 457 G C 0.171 175.108 174.900 0.061 0.000 1.002 457 G CA -0.138 44.978 45.100 0.026 0.000 0.702 457 G HN 1.458 nan 8.290 nan 0.000 0.515 458 A N -0.541 122.301 122.820 0.037 0.000 2.483 458 A HA 0.585 4.905 4.320 -0.000 0.000 0.238 458 A C 0.875 178.497 177.584 0.064 0.000 1.070 458 A CA 0.435 52.496 52.037 0.040 0.000 0.770 458 A CB 0.763 19.781 19.000 0.031 0.000 1.008 458 A HN 1.222 nan 8.150 nan 0.000 0.497 459 V N 3.703 123.651 119.914 0.056 0.000 2.488 459 V HA 0.138 4.258 4.120 -0.000 0.000 0.277 459 V C 0.488 176.612 176.094 0.050 0.000 1.046 459 V CA 0.276 62.610 62.300 0.057 0.000 0.986 459 V CB 0.594 32.447 31.823 0.050 0.000 0.989 459 V HN 0.991 nan 8.190 nan 0.000 0.475 460 Q N 3.233 123.063 119.800 0.050 0.000 2.248 460 Q HA 0.383 4.723 4.340 -0.000 0.000 0.263 460 Q C 0.345 176.368 176.000 0.039 0.000 1.007 460 Q CA -0.854 54.974 55.803 0.042 0.000 0.877 460 Q CB 1.694 30.457 28.738 0.041 0.000 1.315 460 Q HN 0.525 nan 8.270 nan 0.000 0.454 461 Q N 0.248 120.068 119.800 0.034 0.000 2.369 461 Q HA -0.080 4.260 4.340 -0.000 0.000 0.206 461 Q C 1.726 177.744 176.000 0.031 0.000 0.963 461 Q CA 1.177 56.998 55.803 0.031 0.000 0.894 461 Q CB 0.216 28.969 28.738 0.026 0.000 0.965 461 Q HN 0.751 nan 8.270 nan 0.000 0.475 462 S N -0.558 115.160 115.700 0.030 0.000 2.436 462 S HA 0.012 4.482 4.470 -0.000 0.000 0.228 462 S C 1.055 175.673 174.600 0.030 0.000 1.014 462 S CA 0.217 58.434 58.200 0.027 0.000 0.950 462 S CB 0.231 63.446 63.200 0.024 0.000 0.784 462 S HN 0.071 nan 8.310 nan 0.000 0.504 463 I N 2.844 123.434 120.570 0.033 0.000 2.377 463 I HA 0.350 4.520 4.170 -0.000 0.000 0.293 463 I C 0.063 176.204 176.117 0.040 0.000 0.987 463 I CA -1.204 60.117 61.300 0.035 0.000 1.185 463 I CB 1.207 39.227 38.000 0.034 0.000 1.341 463 I HN 0.204 nan 8.210 nan 0.000 0.455 464 D N 3.832 124.258 120.400 0.042 0.000 2.493 464 D HA -0.062 4.578 4.640 -0.000 0.000 0.240 464 D C 1.239 177.566 176.300 0.046 0.000 1.142 464 D CA 0.258 54.289 54.000 0.051 0.000 0.872 464 D CB 1.212 42.046 40.800 0.056 0.000 1.173 464 D HN 0.664 nan 8.370 nan 0.000 0.467 465 S N 4.291 120.022 115.700 0.051 0.000 2.419 465 S HA -0.178 4.292 4.470 -0.000 0.000 0.233 465 S C 1.664 176.284 174.600 0.032 0.000 1.016 465 S CA 0.583 58.809 58.200 0.044 0.000 0.974 465 S CB -0.032 63.197 63.200 0.048 0.000 0.786 465 S HN 0.548 nan 8.310 nan 0.000 0.492 466 R N 0.778 121.294 120.500 0.027 0.000 2.193 466 R HA 0.157 4.497 4.340 -0.000 0.000 0.229 466 R C 1.806 178.101 176.300 -0.009 0.000 1.110 466 R CA 1.168 57.264 56.100 -0.007 0.000 0.988 466 R CB -0.549 29.722 30.300 -0.049 0.000 0.871 466 R HN 0.450 nan 8.270 nan 0.000 0.458 467 L N 0.328 121.556 121.223 0.009 0.000 2.509 467 L HA 0.133 4.473 4.340 -0.000 0.000 0.222 467 L C 0.644 177.536 176.870 0.037 0.000 1.123 467 L CA 0.149 55.000 54.840 0.018 0.000 0.856 467 L CB 0.146 42.218 42.059 0.022 0.000 0.985 467 L HN 0.063 nan 8.230 nan 0.000 0.456 468 I N 0.295 120.888 120.570 0.038 0.000 2.331 468 I HA 0.223 4.393 4.170 -0.000 0.000 0.292 468 I C -0.601 175.546 176.117 0.050 0.000 0.998 468 I CA -0.380 60.953 61.300 0.055 0.000 1.267 468 I CB 1.750 39.780 38.000 0.051 0.000 1.386 468 I HN -0.289 nan 8.210 nan 0.000 0.476 469 V N 5.237 125.203 119.914 0.087 0.000 2.540 469 V HA 0.324 4.444 4.120 -0.000 0.000 0.302 469 V C -0.639 175.487 176.094 0.054 0.000 1.035 469 V CA -0.859 61.459 62.300 0.030 0.000 0.873 469 V CB 2.026 33.867 31.823 0.030 0.000 0.992 469 V HN 0.578 nan 8.190 nan 0.000 0.428 470 D N 2.711 123.085 120.400 -0.043 0.000 2.255 470 D HA 0.422 5.062 4.640 -0.000 0.000 0.249 470 D C -0.963 175.297 176.300 -0.067 0.000 1.078 470 D CA 0.072 54.106 54.000 0.058 0.000 0.896 470 D CB 1.311 42.180 40.800 0.115 0.000 1.194 470 D HN 0.455 nan 8.370 nan 0.000 0.429 471 W N 1.335 122.669 121.300 0.056 0.000 2.475 471 W HA 0.421 5.081 4.660 -0.000 0.000 0.320 471 W C 0.188 176.776 176.519 0.115 0.000 1.022 471 W CA -0.841 56.560 57.345 0.093 0.000 1.240 471 W CB 1.221 30.609 29.460 -0.121 0.000 1.328 471 W HN -0.074 nan 8.180 nan 0.000 0.439 472 R N 3.041 123.768 120.500 0.379 0.000 2.451 472 R HA 0.525 4.865 4.340 -0.000 0.000 0.307 472 R C -1.434 175.013 176.300 0.245 0.000 0.965 472 R CA -0.858 55.323 56.100 0.134 0.000 0.865 472 R CB 1.558 31.844 30.300 -0.022 0.000 1.174 472 R HN 0.153 nan 8.270 nan 0.000 0.455 473 F N 3.030 122.806 119.950 -0.290 0.000 2.469 473 F HA 0.505 5.032 4.527 -0.000 0.000 0.332 473 F C -0.282 175.381 175.800 -0.228 0.000 1.103 473 F CA -1.572 56.354 58.000 -0.124 0.000 0.979 473 F CB 1.035 39.941 39.000 -0.156 0.000 1.137 473 F HN 0.293 nan 8.300 nan 0.000 0.463 474 F N 1.125 121.266 119.950 0.319 0.000 2.477 474 F HA 0.655 5.182 4.527 -0.000 0.000 0.335 474 F C 0.590 176.601 175.800 0.350 0.000 1.130 474 F CA -1.213 56.974 58.000 0.311 0.000 0.948 474 F CB 1.491 40.729 39.000 0.397 0.000 1.154 474 F HN 0.525 nan 8.300 nan 0.000 0.439 475 G N 2.044 111.094 108.800 0.416 0.000 2.451 475 G HA2 0.625 4.585 3.960 -0.000 0.000 0.303 475 G HA3 0.625 4.585 3.960 -0.000 0.000 0.303 475 G C -0.807 174.286 174.900 0.321 0.000 1.166 475 G CA -1.058 44.265 45.100 0.372 0.000 0.884 475 G HN 0.712 nan 8.290 nan 0.000 0.514 476 R N -0.657 120.030 120.500 0.311 0.000 2.428 476 R HA 0.635 4.975 4.340 -0.000 0.000 0.294 476 R C -0.961 175.438 176.300 0.165 0.000 1.000 476 R CA -0.542 55.666 56.100 0.179 0.000 0.960 476 R CB 1.194 31.619 30.300 0.208 0.000 1.076 476 R HN 0.256 nan 8.270 nan 0.000 0.475 477 T N 2.149 116.769 114.554 0.110 0.000 2.786 477 T HA 0.105 4.455 4.350 -0.000 0.000 0.283 477 T C -0.659 174.123 174.700 0.135 0.000 0.992 477 T CA -0.642 61.570 62.100 0.188 0.000 0.954 477 T CB 1.247 70.302 68.868 0.310 0.000 0.934 477 T HN 0.684 nan 8.240 nan 0.000 0.440 478 E N 4.983 125.265 120.200 0.137 0.000 2.465 478 E HA 0.054 4.404 4.350 -0.000 0.000 0.260 478 E C -2.097 174.587 176.600 0.139 0.000 0.980 478 E CA -1.437 55.036 56.400 0.122 0.000 0.927 478 E CB 0.474 30.237 29.700 0.105 0.000 0.934 478 E HN 0.192 nan 8.360 nan 0.000 0.459 479 P HA 0.081 nan 4.420 nan 0.000 0.271 479 P C -1.193 176.271 177.300 0.275 0.000 1.233 479 P CA 0.186 63.434 63.100 0.247 0.000 0.764 479 P CB 0.623 32.481 31.700 0.263 0.000 0.825 480 K N 2.681 123.186 120.400 0.175 0.000 2.371 480 K HA 0.159 4.479 4.320 -0.000 0.000 0.251 480 K C 1.049 177.477 176.600 -0.286 0.000 0.934 480 K CA -0.748 55.557 56.287 0.031 0.000 0.798 480 K CB 2.172 34.648 32.500 -0.040 0.000 1.204 480 K HN 0.384 nan 8.250 nan 0.000 0.427 481 E N 2.528 122.394 120.200 -0.557 0.000 2.118 481 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 481 E C 0.894 177.235 176.600 -0.431 0.000 0.992 481 E CA 1.564 57.395 56.400 -0.949 0.000 0.804 481 E CB 0.506 29.881 29.700 -0.543 0.000 0.741 481 E HN 0.634 nan 8.360 nan 0.000 0.458 482 E N 0.252 120.308 120.200 -0.240 0.000 2.418 482 E HA -0.095 4.255 4.350 -0.000 0.000 0.197 482 E C 0.060 176.602 176.600 -0.096 0.000 1.026 482 E CA 0.203 56.519 56.400 -0.141 0.000 0.862 482 E CB -0.362 29.272 29.700 -0.111 0.000 0.799 482 E HN 0.011 nan 8.360 nan 0.000 0.518 483 N N 1.938 120.574 118.700 -0.107 0.000 2.408 483 N HA 0.188 4.928 4.740 -0.000 0.000 0.257 483 N C -0.770 174.805 175.510 0.108 0.000 1.064 483 N CA 0.073 53.119 53.050 -0.007 0.000 0.952 483 N CB 1.146 39.604 38.487 -0.048 0.000 1.093 483 N HN 0.106 nan 8.380 nan 0.000 0.490 484 K N 1.241 121.758 120.400 0.196 0.000 2.469 484 K HA 0.466 4.786 4.320 -0.000 0.000 0.254 484 K C -1.213 175.534 176.600 0.246 0.000 0.939 484 K CA -0.923 55.494 56.287 0.217 0.000 0.812 484 K CB 2.425 35.064 32.500 0.231 0.000 1.301 484 K HN 0.156 nan 8.250 nan 0.000 0.433 485 L N 4.013 125.326 121.223 0.149 0.000 2.319 485 L HA 0.563 4.903 4.340 -0.000 0.000 0.281 485 L C -1.389 175.397 176.870 -0.140 0.000 1.005 485 L CA -0.123 54.629 54.840 -0.147 0.000 0.828 485 L CB 0.562 42.557 42.059 -0.107 0.000 1.227 485 L HN 0.700 nan 8.230 nan 0.000 0.415 486 W N 3.651 124.646 121.300 -0.508 0.000 2.992 486 W HA 0.645 5.305 4.660 -0.000 0.000 0.342 486 W C -2.152 173.897 176.519 -0.784 0.000 1.176 486 W CA -1.193 55.908 57.345 -0.407 0.000 1.118 486 W CB 0.944 30.324 29.460 -0.134 0.000 1.457 486 W HN 0.310 nan 8.180 nan 0.000 0.573 487 F N 1.494 121.632 119.950 0.314 0.000 2.540 487 F HA 0.356 4.883 4.527 -0.000 0.000 0.317 487 F C 0.806 176.774 175.800 0.280 0.000 1.104 487 F CA -0.930 57.139 58.000 0.115 0.000 0.913 487 F CB 2.112 41.163 39.000 0.085 0.000 1.170 487 F HN 0.268 nan 8.300 nan 0.000 0.450 488 S N 1.000 116.852 115.700 0.254 0.000 2.572 488 S HA 0.062 4.532 4.470 -0.000 0.000 0.279 488 S C 0.750 175.498 174.600 0.247 0.000 1.341 488 S CA -0.514 57.861 58.200 0.291 0.000 1.043 488 S CB 0.386 63.668 63.200 0.136 0.000 0.887 488 S HN 0.689 nan 8.310 nan 0.000 0.516 489 D N 2.768 123.298 120.400 0.217 0.000 2.340 489 D HA 0.127 4.767 4.640 -0.000 0.000 0.220 489 D C 0.978 177.341 176.300 0.105 0.000 1.039 489 D CA 0.480 54.565 54.000 0.142 0.000 0.866 489 D CB 0.193 41.059 40.800 0.110 0.000 0.913 489 D HN 0.444 nan 8.370 nan 0.000 0.523 490 K N -0.396 120.071 120.400 0.111 0.000 2.485 490 K HA 0.147 4.467 4.320 -0.000 0.000 0.200 490 K C 0.146 176.790 176.600 0.074 0.000 1.344 490 K CA -0.224 56.113 56.287 0.082 0.000 0.948 490 K CB 1.002 33.551 32.500 0.081 0.000 1.454 490 K HN -0.033 nan 8.250 nan 0.000 0.502 491 I N 3.640 124.258 120.570 0.080 0.000 2.529 491 I HA 0.052 4.222 4.170 -0.000 0.000 0.284 491 I C 0.641 176.798 176.117 0.067 0.000 1.082 491 I CA 0.363 61.700 61.300 0.061 0.000 1.406 491 I CB 0.771 38.797 38.000 0.043 0.000 1.405 491 I HN 0.251 nan 8.210 nan 0.000 0.548 492 T N 1.570 116.159 114.554 0.059 0.000 2.924 492 T HA 0.582 4.932 4.350 -0.000 0.000 0.291 492 T C -0.313 174.426 174.700 0.066 0.000 1.045 492 T CA -0.937 61.205 62.100 0.069 0.000 1.015 492 T CB 2.395 71.300 68.868 0.061 0.000 1.103 492 T HN 0.549 nan 8.240 nan 0.000 0.496 493 D N 0.775 121.230 120.400 0.093 0.000 2.469 493 D HA 0.462 5.102 4.640 -0.000 0.000 0.278 493 D C 1.606 177.950 176.300 0.073 0.000 1.231 493 D CA -0.421 53.640 54.000 0.101 0.000 1.075 493 D CB -0.053 40.845 40.800 0.163 0.000 1.121 493 D HN 0.647 nan 8.370 nan 0.000 0.571 494 A N -1.456 121.398 122.820 0.056 0.000 2.121 494 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 494 A C 1.156 178.581 177.584 -0.266 0.000 1.154 494 A CA 0.806 52.779 52.037 -0.107 0.000 0.679 494 A CB -0.962 17.938 19.000 -0.167 0.000 0.795 494 A HN 0.543 nan 8.150 nan 0.000 0.458 495 Y N -1.008 119.310 120.300 0.031 0.000 2.625 495 Y HA 0.222 4.772 4.550 -0.000 0.000 0.285 495 Y C 0.689 176.613 175.900 0.040 0.000 1.168 495 Y CA -0.227 57.893 58.100 0.033 0.000 1.250 495 Y CB -0.366 38.098 38.460 0.006 0.000 1.130 495 Y HN 0.415 nan 8.280 nan 0.000 0.526 496 N N -0.334 118.436 118.700 0.115 0.000 2.714 496 N HA -0.178 4.562 4.740 -0.000 0.000 0.250 496 N C -0.642 174.921 175.510 0.088 0.000 1.117 496 N CA 0.716 53.815 53.050 0.082 0.000 0.719 496 N CB -0.580 37.940 38.487 0.056 0.000 1.081 496 N HN 0.183 nan 8.380 nan 0.000 0.557 497 M N -0.399 119.268 119.600 0.113 0.000 2.598 497 M HA 0.421 4.901 4.480 -0.000 0.000 0.317 497 M C -2.076 174.284 176.300 0.100 0.000 1.201 497 M CA -2.015 53.336 55.300 0.085 0.000 0.971 497 M CB 0.609 33.254 32.600 0.075 0.000 1.657 497 M HN -0.284 nan 8.290 nan 0.000 0.470 498 P HA -0.036 nan 4.420 nan 0.000 0.261 498 P C -0.638 176.818 177.300 0.260 0.000 1.183 498 P CA 0.192 63.387 63.100 0.157 0.000 0.761 498 P CB 0.220 32.012 31.700 0.153 0.000 0.785 499 Q N 7.068 126.976 119.800 0.180 0.000 2.286 499 Q HA 0.167 4.507 4.340 -0.000 0.000 0.267 499 Q C -2.260 173.731 176.000 -0.015 0.000 1.028 499 Q CA -1.910 53.950 55.803 0.094 0.000 0.901 499 Q CB -0.154 28.588 28.738 0.007 0.000 1.183 499 Q HN 0.285 nan 8.270 nan 0.000 0.392 500 P HA 0.125 nan 4.420 nan 0.000 0.271 500 P C -1.059 175.769 177.300 -0.787 0.000 1.216 500 P CA -0.150 62.568 63.100 -0.637 0.000 0.776 500 P CB 1.091 32.525 31.700 -0.443 0.000 0.881 501 T N 2.814 116.658 114.554 -1.183 0.000 2.952 501 T HA 0.518 4.868 4.350 -0.000 0.000 0.305 501 T C -0.679 173.331 174.700 -1.150 0.000 1.064 501 T CA -0.107 61.304 62.100 -1.148 0.000 1.008 501 T CB 0.519 68.358 68.868 -1.715 0.000 1.078 501 T HN 0.046 nan 8.240 nan 0.000 0.459 502 F N 1.904 121.577 119.950 -0.462 0.000 2.425 502 F HA 0.561 5.088 4.527 -0.000 0.000 0.331 502 F C 0.553 176.303 175.800 -0.084 0.000 1.085 502 F CA -0.951 56.905 58.000 -0.240 0.000 1.028 502 F CB 1.217 40.126 39.000 -0.152 0.000 1.177 502 F HN 0.393 nan 8.300 nan 0.000 0.487 503 D N 3.171 123.739 120.400 0.280 0.000 2.389 503 D HA 0.253 4.893 4.640 -0.000 0.000 0.256 503 D C -1.837 174.600 176.300 0.227 0.000 1.239 503 D CA -0.116 54.035 54.000 0.252 0.000 0.925 503 D CB 0.430 41.414 40.800 0.307 0.000 1.145 503 D HN 0.305 nan 8.370 nan 0.000 0.542 504 F N 3.432 123.379 119.950 -0.006 0.000 2.588 504 F HA 0.567 5.094 4.527 -0.000 0.000 0.314 504 F C -1.306 174.384 175.800 -0.183 0.000 1.134 504 F CA -0.588 57.342 58.000 -0.116 0.000 0.961 504 F CB 1.349 40.224 39.000 -0.208 0.000 1.239 504 F HN 0.043 nan 8.300 nan 0.000 0.448 505 R N 4.390 124.353 120.500 -0.894 0.000 2.725 505 R HA 0.367 4.707 4.340 -0.000 0.000 0.277 505 R C -1.581 174.049 176.300 -1.117 0.000 0.987 505 R CA -0.987 54.682 56.100 -0.719 0.000 0.901 505 R CB 1.682 31.791 30.300 -0.319 0.000 1.207 505 R HN 0.575 nan 8.270 nan 0.000 0.463 506 F N 2.851 122.558 119.950 -0.405 0.000 2.602 506 F HA 0.139 4.666 4.527 -0.000 0.000 0.385 506 F C -1.313 174.359 175.800 -0.215 0.000 1.063 506 F CA -0.971 56.890 58.000 -0.233 0.000 1.233 506 F CB -0.228 38.750 39.000 -0.037 0.000 1.067 506 F HN 0.123 nan 8.300 nan 0.000 0.564 507 P HA 0.137 nan 4.420 nan 0.000 0.268 507 P C -0.516 176.792 177.300 0.014 0.000 1.204 507 P CA -0.145 62.930 63.100 -0.042 0.000 0.768 507 P CB 0.604 32.297 31.700 -0.011 0.000 0.842 508 A N 2.910 125.725 122.820 -0.008 0.000 2.429 508 A HA 0.551 4.871 4.320 -0.000 0.000 0.242 508 A C 1.119 178.714 177.584 0.019 0.000 1.088 508 A CA 0.859 52.898 52.037 0.003 0.000 0.784 508 A CB -0.967 18.027 19.000 -0.009 0.000 1.038 508 A HN 0.820 nan 8.150 nan 0.000 0.501 509 G N -0.103 108.710 108.800 0.022 0.000 2.513 509 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.227 509 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.227 509 G C 0.995 175.923 174.900 0.046 0.000 1.176 509 G CA 0.700 45.819 45.100 0.032 0.000 0.967 509 G HN 1.004 nan 8.290 nan 0.000 0.587 510 R N -0.135 120.400 120.500 0.059 0.000 2.081 510 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 510 R C 2.804 179.160 176.300 0.093 0.000 1.131 510 R CA 2.656 58.801 56.100 0.076 0.000 0.960 510 R CB -0.869 29.479 30.300 0.081 0.000 0.856 510 R HN 0.613 nan 8.270 nan 0.000 0.436 511 T N 0.085 114.697 114.554 0.096 0.000 2.684 511 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 511 T C 1.919 176.668 174.700 0.082 0.000 1.036 511 T CA 1.857 64.028 62.100 0.119 0.000 1.148 511 T CB -0.172 68.785 68.868 0.148 0.000 0.863 511 T HN 0.278 nan 8.240 nan 0.000 0.436 512 S N 0.630 116.361 115.700 0.053 0.000 2.371 512 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 512 S C 2.024 176.628 174.600 0.008 0.000 1.029 512 S CA 0.995 59.195 58.200 0.000 0.000 0.978 512 S CB -0.197 62.999 63.200 -0.008 0.000 0.833 512 S HN 0.520 nan 8.310 nan 0.000 0.466 513 K N 1.444 121.866 120.400 0.038 0.000 2.026 513 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 513 K C 1.891 178.544 176.600 0.088 0.000 1.048 513 K CA 1.503 57.821 56.287 0.052 0.000 0.929 513 K CB -0.142 32.394 32.500 0.060 0.000 0.713 513 K HN 0.348 nan 8.250 nan 0.000 0.439 514 E N -0.065 120.213 120.200 0.130 0.000 2.110 514 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 514 E C 1.973 178.661 176.600 0.147 0.000 0.988 514 E CA 0.994 57.531 56.400 0.228 0.000 0.804 514 E CB -0.107 29.756 29.700 0.272 0.000 0.745 514 E HN 0.477 nan 8.360 nan 0.000 0.458 515 A N 1.258 124.128 122.820 0.083 0.000 1.902 515 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 515 A C 2.056 179.701 177.584 0.101 0.000 1.181 515 A CA 1.726 53.803 52.037 0.066 0.000 0.623 515 A CB -0.317 18.667 19.000 -0.027 0.000 0.818 515 A HN 0.132 nan 8.150 nan 0.000 0.443 516 E N 0.461 120.697 120.200 0.060 0.000 2.107 516 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 516 E C 1.223 177.800 176.600 -0.038 0.000 0.982 516 E CA 1.348 57.784 56.400 0.061 0.000 0.809 516 E CB -0.239 29.476 29.700 0.026 0.000 0.756 516 E HN 0.507 nan 8.360 nan 0.000 0.459 517 D N -0.031 120.345 120.400 -0.041 0.000 2.178 517 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 517 D C 1.860 177.897 176.300 -0.439 0.000 0.980 517 D CA 1.039 54.997 54.000 -0.069 0.000 0.842 517 D CB -0.278 40.616 40.800 0.158 0.000 0.948 517 D HN 0.326 nan 8.370 nan 0.000 0.472 518 M N -0.249 118.877 119.600 -0.790 0.000 2.132 518 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 518 M C 2.048 177.928 176.300 -0.701 0.000 1.065 518 M CA 1.129 55.636 55.300 -1.322 0.000 1.122 518 M CB 0.027 32.058 32.600 -0.948 0.000 1.365 518 M HN -0.046 nan 8.290 nan 0.000 0.411 519 M N 0.343 119.655 119.600 -0.480 0.000 2.080 519 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 519 M C 1.785 177.865 176.300 -0.366 0.000 1.068 519 M CA 2.391 57.409 55.300 -0.471 0.000 1.109 519 M CB -0.964 31.419 32.600 -0.362 0.000 1.342 519 M HN 0.242 nan 8.290 nan 0.000 0.405 520 T N 0.005 114.411 114.554 -0.246 0.000 2.746 520 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 520 T C 1.475 176.095 174.700 -0.133 0.000 1.039 520 T CA 1.770 63.779 62.100 -0.152 0.000 1.142 520 T CB -0.601 68.222 68.868 -0.075 0.000 0.866 520 T HN 0.535 nan 8.240 nan 0.000 0.444 521 D N 0.597 120.912 120.400 -0.142 0.000 2.123 521 D HA -0.092 4.548 4.640 -0.000 0.000 0.196 521 D C 2.067 178.357 176.300 -0.017 0.000 0.992 521 D CA 0.981 55.007 54.000 0.043 0.000 0.833 521 D CB -0.220 40.707 40.800 0.211 0.000 0.954 521 D HN 0.280 nan 8.370 nan 0.000 0.455 522 M N -0.465 118.890 119.600 -0.408 0.000 2.117 522 M HA -0.188 4.292 4.480 -0.000 0.000 0.262 522 M C 2.000 178.013 176.300 -0.478 0.000 1.065 522 M CA 1.402 56.210 55.300 -0.819 0.000 1.114 522 M CB -0.160 31.698 32.600 -1.237 0.000 1.361 522 M HN 0.217 nan 8.290 nan 0.000 0.408 523 C N -0.435 118.677 119.300 -0.314 0.000 2.413 523 C HA -0.116 4.344 4.460 -0.000 0.000 0.276 523 C C 2.661 177.556 174.990 -0.159 0.000 1.248 523 C CA 0.867 59.800 59.018 -0.141 0.000 1.742 523 C CB -1.049 26.658 27.740 -0.054 0.000 2.017 523 C HN 0.500 nan 8.230 nan 0.000 0.481 524 V N 0.479 120.331 119.914 -0.103 0.000 2.358 524 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 524 V C 2.389 178.463 176.094 -0.033 0.000 1.047 524 V CA 2.172 64.442 62.300 -0.049 0.000 1.035 524 V CB -0.622 31.221 31.823 0.034 0.000 0.658 524 V HN 0.591 nan 8.190 nan 0.000 0.452 525 M N 0.635 120.251 119.600 0.027 0.000 2.156 525 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 525 M C 2.436 178.633 176.300 -0.172 0.000 1.067 525 M CA 2.136 57.535 55.300 0.166 0.000 1.131 525 M CB -0.146 32.708 32.600 0.424 0.000 1.368 525 M HN 0.543 nan 8.290 nan 0.000 0.416 526 S N 0.477 115.757 115.700 -0.699 0.000 2.402 526 S HA -0.035 4.435 4.470 -0.000 0.000 0.229 526 S C 1.972 176.180 174.600 -0.652 0.000 1.021 526 S CA 0.920 58.278 58.200 -1.402 0.000 0.974 526 S CB -0.800 61.343 63.200 -1.762 0.000 0.800 526 S HN 0.558 nan 8.310 nan 0.000 0.484 527 A N 1.941 124.487 122.820 -0.456 0.000 2.070 527 A HA 0.010 4.330 4.320 -0.000 0.000 0.220 527 A C 2.145 179.611 177.584 -0.197 0.000 1.159 527 A CA 1.291 53.118 52.037 -0.351 0.000 0.656 527 A CB -0.533 18.288 19.000 -0.298 0.000 0.800 527 A HN 0.634 nan 8.150 nan 0.000 0.453 528 K N -0.627 119.703 120.400 -0.118 0.000 2.288 528 K HA 0.024 4.344 4.320 -0.000 0.000 0.201 528 K C 1.212 177.816 176.600 0.007 0.000 1.048 528 K CA 0.799 57.065 56.287 -0.035 0.000 0.956 528 K CB -0.009 32.508 32.500 0.029 0.000 0.746 528 K HN 0.399 nan 8.250 nan 0.000 0.461 529 I N -0.658 119.934 120.570 0.036 0.000 2.810 529 I HA 0.142 4.312 4.170 -0.000 0.000 0.262 529 I C 1.133 177.275 176.117 0.041 0.000 1.131 529 I CA 0.636 62.003 61.300 0.112 0.000 1.453 529 I CB -0.104 38.107 38.000 0.352 0.000 1.161 529 I HN 0.113 nan 8.210 nan 0.000 0.444 530 G N -0.700 108.072 108.800 -0.046 0.000 2.356 530 G HA2 0.457 4.417 3.960 -0.000 0.000 0.294 530 G HA3 0.457 4.417 3.960 -0.000 0.000 0.294 530 G C -0.664 174.094 174.900 -0.237 0.000 1.423 530 G CA -0.174 44.871 45.100 -0.093 0.000 0.806 530 G HN 0.286 nan 8.290 nan 0.000 0.527 531 G N -1.077 107.581 108.800 -0.236 0.000 2.537 531 G HA2 0.555 4.515 3.960 -0.000 0.000 0.273 531 G HA3 0.555 4.515 3.960 -0.000 0.000 0.273 531 G C -0.206 174.514 174.900 -0.301 0.000 1.189 531 G CA -0.528 44.342 45.100 -0.383 0.000 0.881 531 G HN 0.467 nan 8.290 nan 0.000 0.535 532 F N -0.641 119.218 119.950 -0.153 0.000 2.563 532 F HA 0.170 4.697 4.527 -0.000 0.000 0.363 532 F C 0.745 176.485 175.800 -0.100 0.000 1.123 532 F CA -0.669 57.236 58.000 -0.159 0.000 1.307 532 F CB 0.537 39.429 39.000 -0.179 0.000 1.115 532 F HN 0.179 nan 8.300 nan 0.000 0.592 533 L N 5.987 127.277 121.223 0.112 0.000 2.361 533 L HA 0.397 4.737 4.340 -0.000 0.000 0.278 533 L C -2.379 174.518 176.870 0.043 0.000 1.113 533 L CA -1.836 53.038 54.840 0.056 0.000 0.849 533 L CB 0.079 42.163 42.059 0.043 0.000 1.155 533 L HN 0.289 nan 8.230 nan 0.000 0.452 534 P HA 0.167 nan 4.420 nan 0.000 0.264 534 P C 0.657 177.966 177.300 0.015 0.000 1.183 534 P CA 1.071 64.184 63.100 0.022 0.000 0.763 534 P CB 0.624 32.336 31.700 0.020 0.000 0.807 535 G N 2.086 110.888 108.800 0.003 0.000 2.225 535 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.254 535 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.254 535 G C 0.508 175.422 174.900 0.024 0.000 0.988 535 G CA 0.301 45.410 45.100 0.014 0.000 0.625 535 G HN 0.531 nan 8.290 nan 0.000 0.527 536 S N 0.770 116.466 115.700 -0.007 0.000 2.617 536 S HA 0.515 4.984 4.470 -0.000 0.000 0.237 536 S C 0.513 174.986 174.600 -0.211 0.000 1.142 536 S CA -0.560 57.611 58.200 -0.048 0.000 1.167 536 S CB 0.283 63.455 63.200 -0.046 0.000 1.068 536 S HN 0.475 nan 8.310 nan 0.000 0.470 537 L N 2.721 123.813 121.223 -0.219 0.000 2.464 537 L HA 0.307 4.647 4.340 -0.000 0.000 0.264 537 L C -1.978 174.577 176.870 -0.525 0.000 1.199 537 L CA -1.996 52.591 54.840 -0.422 0.000 0.818 537 L CB -0.105 41.770 42.059 -0.307 0.000 1.102 537 L HN 0.083 nan 8.230 nan 0.000 0.473 538 P HA 0.021 nan 4.420 nan 0.000 0.267 538 P C -1.461 175.580 177.300 -0.432 0.000 1.205 538 P CA 0.043 62.744 63.100 -0.664 0.000 0.765 538 P CB 0.605 31.813 31.700 -0.821 0.000 0.828 539 Q N 1.711 121.291 119.800 -0.367 0.000 2.472 539 Q HA 0.460 4.800 4.340 -0.000 0.000 0.281 539 Q C -1.468 174.338 176.000 -0.324 0.000 0.997 539 Q CA -0.884 54.772 55.803 -0.245 0.000 0.828 539 Q CB 0.661 29.327 28.738 -0.120 0.000 1.443 539 Q HN 0.101 nan 8.270 nan 0.000 0.390 540 F N 1.679 121.535 119.950 -0.156 0.000 2.456 540 F HA 0.279 4.806 4.527 -0.000 0.000 0.358 540 F C 0.547 176.255 175.800 -0.154 0.000 1.095 540 F CA -0.231 57.672 58.000 -0.162 0.000 1.216 540 F CB 0.899 39.803 39.000 -0.159 0.000 1.125 540 F HN 0.409 nan 8.300 nan 0.000 0.549 541 M N 1.983 121.555 119.600 -0.047 0.000 2.255 541 M HA 0.113 4.593 4.480 -0.000 0.000 0.336 541 M C 0.301 176.555 176.300 -0.078 0.000 1.135 541 M CA -0.569 54.634 55.300 -0.162 0.000 1.145 541 M CB 0.507 32.892 32.600 -0.359 0.000 1.473 541 M HN 0.589 nan 8.290 nan 0.000 0.462 542 E N 3.161 123.290 120.200 -0.120 0.000 2.608 542 E HA -0.026 4.324 4.350 -0.000 0.000 0.259 542 E C -2.150 174.422 176.600 -0.047 0.000 0.951 542 E CA -1.075 55.282 56.400 -0.073 0.000 0.945 542 E CB 0.293 29.929 29.700 -0.106 0.000 0.916 542 E HN 0.204 nan 8.360 nan 0.000 0.477 543 P HA 0.016 nan 4.420 nan 0.000 0.260 543 P C 0.313 177.527 177.300 -0.143 0.000 1.185 543 P CA 1.250 64.367 63.100 0.027 0.000 0.763 543 P CB 0.630 32.343 31.700 0.022 0.000 0.776 544 G N 2.740 111.457 108.800 -0.138 0.000 2.195 544 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.246 544 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.246 544 G C 0.718 175.558 174.900 -0.099 0.000 0.984 544 G CA 0.172 45.154 45.100 -0.197 0.000 0.633 544 G HN 0.537 nan 8.290 nan 0.000 0.525 545 L N 1.027 122.198 121.223 -0.087 0.000 2.191 545 L HA 0.251 4.591 4.340 -0.000 0.000 0.212 545 L C 2.720 179.590 176.870 -0.000 0.000 1.103 545 L CA 2.389 57.190 54.840 -0.065 0.000 0.769 545 L CB -0.187 41.771 42.059 -0.168 0.000 0.908 545 L HN 0.451 nan 8.230 nan 0.000 0.438 546 V N -0.062 119.839 119.914 -0.022 0.000 2.759 546 V HA -0.147 3.973 4.120 -0.000 0.000 0.256 546 V C 1.493 177.557 176.094 -0.051 0.000 1.080 546 V CA 1.141 63.433 62.300 -0.014 0.000 1.101 546 V CB -0.348 31.474 31.823 -0.003 0.000 0.698 546 V HN 0.493 nan 8.190 nan 0.000 0.477 547 L N 0.249 121.499 121.223 0.045 0.000 3.597 547 L HA -0.243 4.097 4.340 -0.000 0.000 0.440 547 L C 0.321 177.386 176.870 0.325 0.000 1.277 547 L CA 0.907 55.839 54.840 0.153 0.000 0.852 547 L CB -2.522 39.664 42.059 0.213 0.000 1.708 547 L HN 0.566 nan 8.230 nan 0.000 0.885 548 H N -0.838 118.356 119.070 0.206 0.000 2.510 548 H HA 0.278 4.834 4.556 -0.000 0.000 0.266 548 H C 0.503 175.976 175.328 0.242 0.000 1.146 548 H CA -1.083 55.123 56.048 0.264 0.000 0.993 548 H CB 0.778 30.736 29.762 0.326 0.000 1.727 548 H HN 0.213 nan 8.280 nan 0.000 0.590 549 L N 2.028 123.405 121.223 0.257 0.000 2.540 549 L HA 0.192 4.532 4.340 -0.000 0.000 0.276 549 L C 0.606 177.618 176.870 0.237 0.000 1.212 549 L CA 0.790 55.727 54.840 0.163 0.000 0.893 549 L CB 0.325 42.444 42.059 0.101 0.000 1.138 549 L HN 0.282 nan 8.230 nan 0.000 0.491 550 G N 1.875 110.827 108.800 0.254 0.000 2.818 550 G HA2 0.543 4.503 3.960 -0.000 0.000 0.286 550 G HA3 0.543 4.503 3.960 -0.000 0.000 0.286 550 G C 0.342 175.350 174.900 0.181 0.000 1.364 550 G CA -0.329 44.933 45.100 0.269 0.000 0.938 550 G HN 1.347 nan 8.290 nan 0.000 0.490 551 G N -1.426 107.448 108.800 0.124 0.000 2.184 551 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.264 551 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.264 551 G C 1.379 176.343 174.900 0.107 0.000 0.975 551 G CA 1.623 46.801 45.100 0.130 0.000 0.642 551 G HN 1.861 nan 8.290 nan 0.000 0.536 552 T N -1.918 112.655 114.554 0.032 0.000 2.962 552 T HA 0.098 4.448 4.350 -0.000 0.000 0.270 552 T C 1.130 175.914 174.700 0.139 0.000 1.088 552 T CA 1.914 64.072 62.100 0.097 0.000 1.127 552 T CB -0.302 68.633 68.868 0.113 0.000 0.883 552 T HN 1.486 nan 8.240 nan 0.000 0.493 553 H N -0.198 118.950 119.070 0.131 0.000 2.712 553 H HA 0.461 5.017 4.556 -0.000 0.000 0.226 553 H C -0.062 175.314 175.328 0.080 0.000 1.422 553 H CA -1.334 54.768 56.048 0.089 0.000 1.270 553 H CB -0.377 29.403 29.762 0.029 0.000 1.891 553 H HN 0.369 nan 8.280 nan 0.000 0.518 554 R N 0.670 121.252 120.500 0.137 0.000 2.694 554 R HA 0.239 4.579 4.340 -0.000 0.000 0.268 554 R C -0.347 176.016 176.300 0.106 0.000 1.061 554 R CA -0.631 55.525 56.100 0.094 0.000 1.133 554 R CB 0.893 31.244 30.300 0.085 0.000 1.020 554 R HN 0.476 nan 8.270 nan 0.000 0.475 555 M N 1.786 121.424 119.600 0.063 0.000 2.249 555 M HA 0.419 4.899 4.480 -0.000 0.000 0.351 555 M C -0.445 175.856 176.300 0.000 0.000 1.180 555 M CA 0.311 55.624 55.300 0.022 0.000 1.127 555 M CB 1.467 34.053 32.600 -0.024 0.000 1.546 555 M HN 0.956 nan 8.290 nan 0.000 0.461 556 G N 2.232 111.041 108.800 0.015 0.000 2.606 556 G HA2 0.411 4.371 3.960 -0.000 0.000 0.300 556 G HA3 0.411 4.371 3.960 -0.000 0.000 0.300 556 G C -0.897 173.998 174.900 -0.009 0.000 1.360 556 G CA -0.661 44.401 45.100 -0.063 0.000 0.783 556 G HN 0.665 nan 8.290 nan 0.000 0.484 557 F N -0.097 119.952 119.950 0.164 0.000 2.293 557 F HA 0.282 4.809 4.527 -0.000 0.000 0.297 557 F C 1.016 176.949 175.800 0.222 0.000 1.089 557 F CA 1.042 59.142 58.000 0.166 0.000 1.377 557 F CB 0.464 39.522 39.000 0.097 0.000 1.051 557 F HN 0.367 nan 8.300 nan 0.000 0.511 558 D N -1.052 119.518 120.400 0.284 0.000 2.855 558 D HA 0.116 4.756 4.640 -0.000 0.000 0.241 558 D C 0.656 176.810 176.300 -0.243 0.000 1.277 558 D CA -0.236 53.787 54.000 0.038 0.000 0.918 558 D CB 1.190 42.022 40.800 0.054 0.000 1.462 558 D HN 0.066 nan 8.370 nan 0.000 0.559 559 E N 3.184 122.884 120.200 -0.833 0.000 2.086 559 E HA -0.302 4.048 4.350 -0.000 0.000 0.200 559 E C 1.318 177.729 176.600 -0.316 0.000 1.012 559 E CA 1.373 57.230 56.400 -0.905 0.000 0.812 559 E CB 0.276 29.279 29.700 -1.161 0.000 0.743 559 E HN 0.453 nan 8.360 nan 0.000 0.453 560 K N 0.055 120.323 120.400 -0.220 0.000 2.044 560 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 560 K C 2.018 178.586 176.600 -0.053 0.000 1.045 560 K CA 1.280 57.508 56.287 -0.099 0.000 0.951 560 K CB 0.057 32.513 32.500 -0.073 0.000 0.738 560 K HN 0.087 nan 8.250 nan 0.000 0.443 561 E N 0.335 120.511 120.200 -0.041 0.000 2.150 561 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 561 E C 0.750 177.350 176.600 0.000 0.000 0.985 561 E CA 0.980 57.378 56.400 -0.003 0.000 0.814 561 E CB 0.152 29.863 29.700 0.018 0.000 0.752 561 E HN 0.374 nan 8.360 nan 0.000 0.466 562 D N 0.188 120.583 120.400 -0.009 0.000 2.363 562 D HA 0.050 4.690 4.640 -0.000 0.000 0.214 562 D C -0.614 175.626 176.300 -0.100 0.000 1.093 562 D CA -0.021 53.970 54.000 -0.016 0.000 0.837 562 D CB 0.081 40.911 40.800 0.050 0.000 0.948 562 D HN 0.076 nan 8.370 nan 0.000 0.507 563 N N 0.685 119.324 118.700 -0.101 0.000 2.667 563 N HA -0.188 4.552 4.740 -0.000 0.000 0.263 563 N C -0.245 175.201 175.510 -0.107 0.000 1.038 563 N CA 0.525 53.499 53.050 -0.126 0.000 0.749 563 N CB -1.428 36.882 38.487 -0.295 0.000 0.892 563 N HN 0.404 nan 8.380 nan 0.000 0.546 564 C N -3.269 116.031 119.300 -0.000 0.000 3.213 564 C HA 0.785 5.245 4.460 -0.000 0.000 0.319 564 C C 1.380 176.532 174.990 0.269 0.000 1.386 564 C CA -0.667 58.424 59.018 0.122 0.000 1.494 564 C CB 1.599 29.438 27.740 0.165 0.000 1.905 564 C HN 0.507 nan 8.230 nan 0.000 0.456 565 C N 0.186 119.690 119.300 0.341 0.000 2.937 565 C HA 0.473 4.933 4.460 -0.000 0.000 0.426 565 C C 0.700 175.843 174.990 0.256 0.000 1.321 565 C CA 0.605 59.834 59.018 0.351 0.000 2.082 565 C CB -0.321 27.544 27.740 0.208 0.000 2.834 565 C HN 0.943 nan 8.230 nan 0.000 0.593 566 V N 1.400 121.351 119.914 0.062 0.000 2.864 566 V HA 0.702 4.822 4.120 -0.000 0.000 0.314 566 V C -0.625 175.175 176.094 -0.490 0.000 1.073 566 V CA -0.638 61.448 62.300 -0.356 0.000 0.956 566 V CB 1.467 33.180 31.823 -0.184 0.000 1.023 566 V HN 0.419 nan 8.190 nan 0.000 0.435 567 N N 1.023 119.242 118.700 -0.801 0.000 2.431 567 N HA 0.244 4.984 4.740 -0.000 0.000 0.289 567 N C 0.993 176.362 175.510 -0.235 0.000 1.277 567 N CA 0.282 53.070 53.050 -0.437 0.000 0.972 567 N CB -0.120 38.103 38.487 -0.440 0.000 1.143 567 N HN 0.921 nan 8.380 nan 0.000 0.578 568 T N -4.763 109.690 114.554 -0.168 0.000 3.160 568 T HA 0.053 4.403 4.350 -0.000 0.000 0.257 568 T C 0.104 174.721 174.700 -0.138 0.000 1.147 568 T CA 0.459 62.459 62.100 -0.166 0.000 1.064 568 T CB -0.349 68.427 68.868 -0.154 0.000 0.949 568 T HN 0.435 nan 8.240 nan 0.000 0.526 569 D N 1.220 121.529 120.400 -0.152 0.000 2.328 569 D HA 0.172 4.812 4.640 -0.000 0.000 0.221 569 D C 0.575 176.873 176.300 -0.003 0.000 1.072 569 D CA 0.121 54.047 54.000 -0.123 0.000 0.850 569 D CB 0.109 40.706 40.800 -0.339 0.000 0.922 569 D HN 0.335 nan 8.370 nan 0.000 0.516 570 S N 0.175 115.847 115.700 -0.046 0.000 3.476 570 S HA -0.255 4.215 4.470 -0.000 0.000 0.309 570 S C 0.576 175.172 174.600 -0.006 0.000 1.222 570 S CA 0.426 58.638 58.200 0.020 0.000 0.922 570 S CB -1.376 61.910 63.200 0.142 0.000 1.023 570 S HN 0.457 nan 8.310 nan 0.000 0.591 571 R N 1.308 121.685 120.500 -0.205 0.000 2.340 571 R HA 0.418 4.758 4.340 -0.000 0.000 0.300 571 R C -0.014 175.971 176.300 -0.524 0.000 1.069 571 R CA -0.341 55.431 56.100 -0.546 0.000 0.984 571 R CB 0.602 30.544 30.300 -0.596 0.000 1.003 571 R HN 0.147 nan 8.270 nan 0.000 0.459 572 V N 6.393 126.030 119.914 -0.461 0.000 2.529 572 V HA -0.012 4.108 4.120 -0.000 0.000 0.292 572 V C 0.237 176.266 176.094 -0.107 0.000 1.028 572 V CA 0.243 62.371 62.300 -0.288 0.000 1.074 572 V CB -0.173 31.465 31.823 -0.308 0.000 0.958 572 V HN 0.554 nan 8.190 nan 0.000 0.481 573 F N 3.721 123.708 119.950 0.063 0.000 2.629 573 F HA 0.386 4.913 4.527 -0.000 0.000 0.377 573 F C 1.611 177.542 175.800 0.219 0.000 1.101 573 F CA 1.549 59.613 58.000 0.107 0.000 1.301 573 F CB -0.026 39.032 39.000 0.096 0.000 1.062 573 F HN 0.793 nan 8.300 nan 0.000 0.583 574 G N 2.010 111.002 108.800 0.320 0.000 2.267 574 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.257 574 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.257 574 G C -0.086 174.774 174.900 -0.065 0.000 0.998 574 G CA -0.358 44.823 45.100 0.134 0.000 0.620 574 G HN 0.435 nan 8.290 nan 0.000 0.529 575 F N 0.789 120.768 119.950 0.048 0.000 2.436 575 F HA 0.636 5.162 4.527 -0.000 0.000 0.340 575 F C 1.366 177.159 175.800 -0.012 0.000 1.113 575 F CA -1.047 56.967 58.000 0.024 0.000 1.022 575 F CB 1.637 40.649 39.000 0.019 0.000 1.128 575 F HN -0.263 nan 8.300 nan 0.000 0.466 576 K N 1.608 122.113 120.400 0.175 0.000 2.155 576 K HA -0.062 4.258 4.320 -0.000 0.000 0.203 576 K C 0.732 177.541 176.600 0.348 0.000 1.052 576 K CA 1.038 57.464 56.287 0.232 0.000 0.948 576 K CB -0.082 32.566 32.500 0.246 0.000 0.728 576 K HN 0.682 nan 8.250 nan 0.000 0.448 577 N N -0.178 118.685 118.700 0.271 0.000 2.387 577 N HA 0.042 4.782 4.740 -0.000 0.000 0.259 577 N C -0.778 174.832 175.510 0.167 0.000 1.369 577 N CA -0.344 52.907 53.050 0.335 0.000 0.867 577 N CB -0.130 38.599 38.487 0.405 0.000 1.341 577 N HN -0.060 nan 8.380 nan 0.000 0.495 578 L N 0.537 121.629 121.223 -0.219 0.000 2.381 578 L HA 0.731 5.071 4.340 -0.000 0.000 0.274 578 L C -1.898 174.559 176.870 -0.690 0.000 0.988 578 L CA -0.586 54.102 54.840 -0.254 0.000 0.824 578 L CB 1.117 43.025 42.059 -0.253 0.000 1.263 578 L HN -0.017 nan 8.230 nan 0.000 0.410 579 F N 4.896 124.767 119.950 -0.132 0.000 2.565 579 F HA 0.667 5.194 4.527 -0.000 0.000 0.313 579 F C -0.683 174.971 175.800 -0.244 0.000 1.091 579 F CA -0.655 57.250 58.000 -0.159 0.000 0.915 579 F CB 1.943 40.879 39.000 -0.107 0.000 1.208 579 F HN 0.196 nan 8.300 nan 0.000 0.453 580 L N 2.050 123.232 121.223 -0.067 0.000 2.346 580 L HA 0.889 5.229 4.340 -0.000 0.000 0.276 580 L C 0.028 176.910 176.870 0.020 0.000 1.006 580 L CA -0.812 53.921 54.840 -0.177 0.000 0.817 580 L CB 1.938 43.742 42.059 -0.425 0.000 1.272 580 L HN 0.783 nan 8.230 nan 0.000 0.421 581 G N 0.435 109.258 108.800 0.039 0.000 2.524 581 G HA2 0.795 4.755 3.960 -0.000 0.000 0.310 581 G HA3 0.795 4.755 3.960 -0.000 0.000 0.310 581 G C -0.497 174.527 174.900 0.205 0.000 1.279 581 G CA -0.288 44.940 45.100 0.213 0.000 0.974 581 G HN 0.964 nan 8.290 nan 0.000 0.484 582 G N -1.158 107.757 108.800 0.192 0.000 2.343 582 G HA2 0.054 4.014 3.960 -0.000 0.000 0.465 582 G HA3 0.054 4.014 3.960 -0.000 0.000 0.465 582 G C 0.763 175.719 174.900 0.094 0.000 1.282 582 G CA 0.049 45.236 45.100 0.145 0.000 0.996 582 G HN 1.144 nan 8.290 nan 0.000 0.521 583 C N 0.598 119.932 119.300 0.058 0.000 2.419 583 C HA 0.176 4.636 4.460 -0.000 0.000 0.283 583 C C 3.008 177.985 174.990 -0.022 0.000 1.373 583 C CA 1.891 60.924 59.018 0.025 0.000 1.781 583 C CB -1.334 26.456 27.740 0.082 0.000 1.886 583 C HN 1.256 nan 8.230 nan 0.000 0.520 584 G N 1.053 109.756 108.800 -0.162 0.000 2.470 584 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 584 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 584 G C 1.414 175.960 174.900 -0.589 0.000 1.121 584 G CA 0.639 45.389 45.100 -0.583 0.000 0.766 584 G HN 0.557 nan 8.290 nan 0.000 0.553 585 N N 0.409 118.978 118.700 -0.219 0.000 2.331 585 N HA 0.010 4.750 4.740 -0.000 0.000 0.180 585 N C 0.905 176.429 175.510 0.024 0.000 1.019 585 N CA 0.208 53.266 53.050 0.013 0.000 0.881 585 N CB 0.056 38.603 38.487 0.100 0.000 0.972 585 N HN 0.307 nan 8.380 nan 0.000 0.435 586 I N 3.042 123.627 120.570 0.025 0.000 2.517 586 I HA 0.036 4.206 4.170 -0.000 0.000 0.285 586 I C -1.363 174.845 176.117 0.151 0.000 1.106 586 I CA -0.997 60.345 61.300 0.071 0.000 1.402 586 I CB 1.249 39.238 38.000 -0.018 0.000 1.399 586 I HN -0.066 nan 8.210 nan 0.000 0.535 587 P HA 0.076 nan 4.420 nan 0.000 0.267 587 P C 0.155 177.544 177.300 0.148 0.000 1.289 587 P CA 0.182 63.355 63.100 0.120 0.000 0.866 587 P CB 0.284 32.016 31.700 0.053 0.000 1.309 588 T N -2.381 112.296 114.554 0.204 0.000 2.923 588 T HA 0.704 5.054 4.350 -0.000 0.000 0.281 588 T C 0.117 174.954 174.700 0.228 0.000 0.995 588 T CA -0.914 61.294 62.100 0.179 0.000 0.985 588 T CB 1.315 70.264 68.868 0.136 0.000 1.114 588 T HN 0.044 nan 8.240 nan 0.000 0.548 589 A N 1.818 124.706 122.820 0.113 0.000 2.310 589 A HA 0.601 4.921 4.320 -0.000 0.000 0.300 589 A C -0.649 176.907 177.584 -0.046 0.000 1.269 589 A CA -0.800 51.253 52.037 0.028 0.000 0.909 589 A CB -0.980 18.054 19.000 0.057 0.000 1.144 589 A HN 0.859 nan 8.150 nan 0.000 0.540 590 Y N -0.354 119.861 120.300 -0.143 0.000 2.499 590 Y HA 0.716 5.266 4.550 -0.000 0.000 0.347 590 Y C 0.736 176.520 175.900 -0.194 0.000 0.987 590 Y CA -0.766 57.066 58.100 -0.447 0.000 1.044 590 Y CB 1.385 39.364 38.460 -0.802 0.000 1.245 590 Y HN 0.368 nan 8.280 nan 0.000 0.461 591 G N 0.546 109.274 108.800 -0.121 0.000 2.673 591 G HA2 0.397 4.357 3.960 -0.000 0.000 0.208 591 G HA3 0.397 4.357 3.960 -0.000 0.000 0.208 591 G C 0.464 175.470 174.900 0.177 0.000 1.128 591 G CA 0.235 45.467 45.100 0.220 0.000 0.805 591 G HN 0.952 nan 8.290 nan 0.000 0.526 592 A N 0.684 123.429 122.820 -0.126 0.000 2.280 592 A HA 0.522 4.842 4.320 -0.000 0.000 0.268 592 A C -0.135 177.358 177.584 -0.151 0.000 1.111 592 A CA -0.514 51.332 52.037 -0.319 0.000 0.814 592 A CB 0.090 18.892 19.000 -0.329 0.000 1.093 592 A HN 0.325 nan 8.150 nan 0.000 0.498 593 N N 1.221 119.710 118.700 -0.351 0.000 2.475 593 N HA 0.289 5.029 4.740 -0.000 0.000 0.267 593 N C -2.128 173.304 175.510 -0.130 0.000 1.169 593 N CA -1.164 51.661 53.050 -0.374 0.000 0.947 593 N CB 0.502 38.836 38.487 -0.254 0.000 1.061 593 N HN 0.359 nan 8.380 nan 0.000 0.466 594 P HA -0.021 nan 4.420 nan 0.000 0.235 594 P C 0.541 177.751 177.300 -0.151 0.000 1.177 594 P CA 0.744 63.753 63.100 -0.152 0.000 0.785 594 P CB 0.278 31.890 31.700 -0.147 0.000 0.885 595 T N 1.003 115.548 114.554 -0.014 0.000 2.746 595 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 595 T C 1.781 176.576 174.700 0.158 0.000 1.039 595 T CA 1.021 63.174 62.100 0.089 0.000 1.142 595 T CB -0.869 68.092 68.868 0.155 0.000 0.866 595 T HN 0.018 nan 8.240 nan 0.000 0.444 596 L N 1.072 122.405 121.223 0.183 0.000 2.042 596 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 596 L C 2.528 179.475 176.870 0.129 0.000 1.076 596 L CA 1.796 56.789 54.840 0.254 0.000 0.749 596 L CB -1.076 41.113 42.059 0.216 0.000 0.893 596 L HN 0.200 nan 8.230 nan 0.000 0.432 597 T N -0.362 114.136 114.554 -0.094 0.000 2.708 597 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 597 T C 1.911 176.536 174.700 -0.125 0.000 1.037 597 T CA 1.315 63.272 62.100 -0.237 0.000 1.146 597 T CB -0.555 67.765 68.868 -0.914 0.000 0.865 597 T HN 0.527 nan 8.240 nan 0.000 0.435 598 A N 1.487 124.238 122.820 -0.114 0.000 1.908 598 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 598 A C 2.315 179.872 177.584 -0.045 0.000 1.181 598 A CA 1.928 53.936 52.037 -0.048 0.000 0.627 598 A CB -0.748 18.244 19.000 -0.014 0.000 0.818 598 A HN 0.538 nan 8.150 nan 0.000 0.445 599 M N -0.428 119.151 119.600 -0.035 0.000 2.117 599 M HA -0.132 4.348 4.480 -0.000 0.000 0.262 599 M C 2.124 178.333 176.300 -0.152 0.000 1.065 599 M CA 2.049 57.296 55.300 -0.088 0.000 1.114 599 M CB -0.134 32.414 32.600 -0.087 0.000 1.361 599 M HN 0.369 nan 8.290 nan 0.000 0.408 600 S N 1.120 116.732 115.700 -0.147 0.000 2.368 600 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 600 S C 1.741 176.151 174.600 -0.317 0.000 1.030 600 S CA 1.370 59.416 58.200 -0.256 0.000 0.999 600 S CB -0.508 62.494 63.200 -0.330 0.000 0.844 600 S HN 0.517 nan 8.310 nan 0.000 0.459 601 L N 0.979 122.057 121.223 -0.242 0.000 2.131 601 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 601 L C 2.706 179.443 176.870 -0.223 0.000 1.092 601 L CA 1.094 55.793 54.840 -0.235 0.000 0.759 601 L CB -0.630 41.363 42.059 -0.110 0.000 0.903 601 L HN 0.321 nan 8.230 nan 0.000 0.435 602 A N 0.195 122.873 122.820 -0.237 0.000 1.929 602 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 602 A C 2.215 179.465 177.584 -0.556 0.000 1.176 602 A CA 1.083 52.857 52.037 -0.439 0.000 0.628 602 A CB -0.491 18.253 19.000 -0.426 0.000 0.816 602 A HN 0.318 nan 8.150 nan 0.000 0.444 603 I N -0.387 119.960 120.570 -0.372 0.000 2.163 603 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 603 I C 2.557 178.506 176.117 -0.279 0.000 1.085 603 I CA 1.948 63.065 61.300 -0.305 0.000 1.347 603 I CB -0.233 37.606 38.000 -0.268 0.000 1.044 603 I HN 0.371 nan 8.210 nan 0.000 0.408 604 K N 0.510 120.743 120.400 -0.279 0.000 2.057 604 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 604 K C 2.364 178.870 176.600 -0.157 0.000 1.049 604 K CA 1.827 57.979 56.287 -0.224 0.000 0.931 604 K CB -0.144 32.192 32.500 -0.274 0.000 0.714 604 K HN 0.132 nan 8.250 nan 0.000 0.440 605 S N 0.086 115.677 115.700 -0.181 0.000 2.374 605 S HA -0.193 4.277 4.470 -0.000 0.000 0.227 605 S C 2.062 176.565 174.600 -0.162 0.000 1.037 605 S CA 1.599 59.734 58.200 -0.109 0.000 1.024 605 S CB -0.516 62.664 63.200 -0.033 0.000 0.861 605 S HN 0.576 nan 8.310 nan 0.000 0.456 606 C N 1.443 120.566 119.300 -0.295 0.000 2.422 606 C HA 0.013 4.473 4.460 -0.000 0.000 0.279 606 C C 2.492 177.392 174.990 -0.149 0.000 1.305 606 C CA 0.716 59.577 59.018 -0.263 0.000 1.757 606 C CB -1.483 26.067 27.740 -0.318 0.000 1.962 606 C HN 0.685 nan 8.230 nan 0.000 0.499 607 E N -0.578 119.558 120.200 -0.108 0.000 2.110 607 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 607 E C 1.813 178.412 176.600 -0.001 0.000 0.988 607 E CA 1.396 57.764 56.400 -0.053 0.000 0.804 607 E CB -0.282 29.384 29.700 -0.057 0.000 0.745 607 E HN 0.840 nan 8.360 nan 0.000 0.458 608 Y N 1.265 121.521 120.300 -0.074 0.000 2.163 608 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 608 Y C 1.964 177.871 175.900 0.012 0.000 1.136 608 Y CA 1.354 59.450 58.100 -0.006 0.000 1.147 608 Y CB -0.092 38.399 38.460 0.052 0.000 0.987 608 Y HN -0.079 nan 8.280 nan 0.000 0.509 609 I N 0.503 121.093 120.570 0.034 0.000 2.163 609 I HA -0.368 3.802 4.170 -0.000 0.000 0.243 609 I C 2.258 178.387 176.117 0.019 0.000 1.085 609 I CA 1.819 63.108 61.300 -0.017 0.000 1.347 609 I CB -0.443 37.352 38.000 -0.341 0.000 1.044 609 I HN 0.194 nan 8.210 nan 0.000 0.408 610 K N 0.385 120.759 120.400 -0.044 0.000 2.152 610 K HA -0.222 4.097 4.320 -0.000 0.000 0.206 610 K C 1.935 178.577 176.600 0.070 0.000 1.048 610 K CA 1.303 57.641 56.287 0.085 0.000 0.933 610 K CB -0.177 32.365 32.500 0.070 0.000 0.721 610 K HN 0.492 nan 8.250 nan 0.000 0.447 611 Q N -0.305 119.459 119.800 -0.059 0.000 2.425 611 Q HA 0.073 4.413 4.340 -0.000 0.000 0.204 611 Q C 0.908 176.788 176.000 -0.200 0.000 0.933 611 Q CA 0.358 56.091 55.803 -0.116 0.000 0.939 611 Q CB 0.453 29.096 28.738 -0.158 0.000 1.044 611 Q HN 0.303 nan 8.270 nan 0.000 0.513 612 N N -0.852 117.698 118.700 -0.250 0.000 2.166 612 N HA 0.149 4.889 4.740 -0.000 0.000 0.213 612 N C -0.906 174.197 175.510 -0.679 0.000 1.222 612 N CA 0.267 53.031 53.050 -0.477 0.000 0.900 612 N CB 0.996 39.059 38.487 -0.707 0.000 1.055 612 N HN -0.005 nan 8.380 nan 0.000 0.515 613 F N 0.429 120.401 119.950 0.037 0.000 2.578 613 F HA 0.339 4.866 4.527 -0.000 0.000 0.311 613 F C 0.119 176.048 175.800 0.214 0.000 1.094 613 F CA -0.656 57.424 58.000 0.133 0.000 0.923 613 F CB 1.856 40.947 39.000 0.151 0.000 1.230 613 F HN -0.382 nan 8.300 nan 0.000 0.450 614 T N 3.874 118.606 114.554 0.296 0.000 2.767 614 T HA 0.421 4.771 4.350 -0.000 0.000 0.288 614 T C -2.557 172.166 174.700 0.038 0.000 0.963 614 T CA -1.389 60.785 62.100 0.123 0.000 1.019 614 T CB 1.073 69.972 68.868 0.051 0.000 0.923 614 T HN 0.126 nan 8.240 nan 0.000 0.468 615 P HA 0.183 nan 4.420 nan 0.000 0.268 615 P C -0.103 177.115 177.300 -0.138 0.000 1.205 615 P CA -0.504 62.339 63.100 -0.428 0.000 0.771 615 P CB 0.356 31.599 31.700 -0.761 0.000 0.858 616 S N 2.624 118.292 115.700 -0.054 0.000 2.603 616 S HA 0.387 4.857 4.470 -0.000 0.000 0.268 616 S C -2.277 172.314 174.600 -0.015 0.000 1.317 616 S CA -1.146 57.042 58.200 -0.019 0.000 1.012 616 S CB -0.752 62.443 63.200 -0.008 0.000 0.926 616 S HN 0.246 nan 8.310 nan 0.000 0.539 617 P HA 0.095 nan 4.420 nan 0.000 0.264 617 P C -0.695 176.645 177.300 0.067 0.000 1.193 617 P CA -0.160 62.960 63.100 0.034 0.000 0.763 617 P CB -0.028 31.685 31.700 0.022 0.000 0.810 618 F N 3.809 123.740 119.950 -0.031 0.000 2.512 618 F HA 0.124 4.651 4.527 -0.000 0.000 0.350 618 F C 0.881 176.671 175.800 -0.017 0.000 1.212 618 F CA 0.433 58.421 58.000 -0.020 0.000 1.099 618 F CB -0.301 38.689 39.000 -0.017 0.000 1.238 618 F HN 0.161 nan 8.300 nan 0.000 0.600 619 T N 0.000 114.483 114.554 -0.118 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.074 62.100 -0.044 0.000 1.349 619 T CB 0.000 68.821 68.868 -0.078 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658