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 2ign_1_A DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.278 176.300 -0.037 0.000 1.140 43 M CA 0.000 55.324 55.300 0.040 0.000 0.988 43 M CB 0.000 32.455 32.600 -0.242 0.000 1.302 44 D N 3.175 123.576 120.400 0.002 0.000 2.335 44 D HA 0.197 4.837 4.640 -0.000 0.000 0.236 44 D C 1.104 177.344 176.300 -0.100 0.000 1.297 44 D CA 0.201 54.127 54.000 -0.124 0.000 0.906 44 D CB 0.698 41.283 40.800 -0.357 0.000 1.164 44 D HN 0.700 nan 8.370 nan 0.000 0.469 45 I N -3.350 117.154 120.570 -0.111 0.000 4.050 45 I HA 0.282 4.452 4.170 -0.000 0.000 0.327 45 I C -0.053 176.050 176.117 -0.024 0.000 1.473 45 I CA -0.613 60.687 61.300 -0.000 0.000 1.124 45 I CB -0.150 37.874 38.000 0.041 0.000 1.129 45 I HN -0.031 nan 8.210 nan 0.000 0.428 46 K N 1.032 121.265 120.400 -0.278 0.000 2.463 46 K HA 0.637 4.956 4.320 -0.000 0.000 0.255 46 K C -1.934 174.327 176.600 -0.566 0.000 0.942 46 K CA -0.531 55.612 56.287 -0.241 0.000 0.814 46 K CB 1.006 33.425 32.500 -0.135 0.000 1.122 46 K HN 0.142 nan 8.250 nan 0.000 0.425 47 Y N 1.087 121.382 120.300 -0.009 0.000 2.634 47 Y HA 0.270 4.820 4.550 -0.000 0.000 0.340 47 Y C 0.725 176.603 175.900 -0.036 0.000 1.058 47 Y CA -0.782 57.303 58.100 -0.025 0.000 1.081 47 Y CB 1.866 40.306 38.460 -0.033 0.000 1.295 47 Y HN 0.588 nan 8.280 nan 0.000 0.487 48 D N 0.089 120.577 120.400 0.146 0.000 2.103 48 D HA 0.018 4.657 4.640 -0.000 0.000 0.199 48 D C -0.284 176.013 176.300 -0.004 0.000 0.978 48 D CA 1.496 55.564 54.000 0.115 0.000 0.829 48 D CB 0.259 41.201 40.800 0.237 0.000 0.981 48 D HN 0.102 nan 8.370 nan 0.000 0.464 49 V N 0.936 120.834 119.914 -0.027 0.000 2.760 49 V HA 0.377 4.497 4.120 -0.000 0.000 0.309 49 V C -0.380 175.617 176.094 -0.161 0.000 1.077 49 V CA -1.043 61.146 62.300 -0.185 0.000 0.910 49 V CB 2.588 34.270 31.823 -0.236 0.000 1.008 49 V HN -0.004 nan 8.190 nan 0.000 0.424 50 V N 2.878 122.659 119.914 -0.221 0.000 2.555 50 V HA 0.758 4.878 4.120 -0.000 0.000 0.302 50 V C -0.711 175.325 176.094 -0.097 0.000 1.038 50 V CA -0.591 61.639 62.300 -0.116 0.000 0.887 50 V CB 1.740 33.574 31.823 0.019 0.000 0.991 50 V HN 0.691 nan 8.190 nan 0.000 0.434 51 I N 4.363 124.897 120.570 -0.061 0.000 2.436 51 I HA 0.479 4.649 4.170 -0.000 0.000 0.289 51 I C -0.560 175.573 176.117 0.026 0.000 1.010 51 I CA -0.953 60.299 61.300 -0.081 0.000 1.098 51 I CB 2.268 40.203 38.000 -0.107 0.000 1.266 51 I HN 0.457 nan 8.210 nan 0.000 0.434 52 V N 5.548 125.467 119.914 0.008 0.000 2.348 52 V HA 0.767 4.887 4.120 -0.000 0.000 0.270 52 V C 0.511 176.608 176.094 0.004 0.000 1.037 52 V CA -0.267 62.060 62.300 0.044 0.000 0.872 52 V CB 0.479 32.304 31.823 0.004 0.000 1.002 52 V HN 1.065 nan 8.190 nan 0.000 0.464 53 G N 4.011 112.829 108.800 0.030 0.000 3.067 53 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.686 53 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.686 53 G C -0.040 174.872 174.900 0.020 0.000 1.119 53 G CA -0.246 44.864 45.100 0.017 0.000 0.790 53 G HN 1.328 nan 8.290 nan 0.000 0.605 54 S N 1.074 116.790 115.700 0.027 0.000 2.601 54 S HA 0.606 5.076 4.470 -0.000 0.000 0.244 54 S C 1.310 175.924 174.600 0.024 0.000 1.001 54 S CA 0.724 58.947 58.200 0.040 0.000 0.984 54 S CB 0.639 63.874 63.200 0.059 0.000 0.842 54 S HN 1.942 nan 8.310 nan 0.000 0.474 55 G N 2.713 111.518 108.800 0.008 0.000 2.611 55 G HA2 0.384 4.344 3.960 -0.000 0.000 0.273 55 G HA3 0.384 4.344 3.960 -0.000 0.000 0.273 55 G C -1.181 173.706 174.900 -0.023 0.000 1.305 55 G CA -1.232 43.859 45.100 -0.015 0.000 1.010 55 G HN 0.242 nan 8.290 nan 0.000 0.509 56 P HA -0.060 nan 4.420 nan 0.000 0.220 56 P C 1.717 178.972 177.300 -0.076 0.000 1.148 56 P CA 0.734 63.796 63.100 -0.062 0.000 0.803 56 P CB 0.188 31.871 31.700 -0.029 0.000 0.782 57 I N 0.010 120.565 120.570 -0.024 0.000 2.333 57 I HA -0.019 4.150 4.170 -0.000 0.000 0.246 57 I C 2.675 178.851 176.117 0.097 0.000 1.106 57 I CA 1.422 62.737 61.300 0.025 0.000 1.411 57 I CB -2.251 35.786 38.000 0.063 0.000 1.082 57 I HN -0.007 nan 8.210 nan 0.000 0.420 58 G N 0.284 109.115 108.800 0.052 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 1.769 176.663 174.900 -0.010 0.000 1.154 58 G CA 1.050 46.166 45.100 0.028 0.000 0.767 58 G HN 0.406 nan 8.290 nan 0.000 0.552 59 C N 0.566 119.840 119.300 -0.043 0.000 2.446 59 C HA 0.052 4.512 4.460 -0.000 0.000 0.279 59 C C 3.185 178.050 174.990 -0.208 0.000 1.366 59 C CA 1.346 60.300 59.018 -0.106 0.000 1.763 59 C CB -0.924 26.805 27.740 -0.019 0.000 1.929 59 C HN 0.459 nan 8.230 nan 0.000 0.509 60 T N 0.034 114.492 114.554 -0.159 0.000 2.701 60 T HA -0.161 4.189 4.350 -0.000 0.000 0.263 60 T C 1.466 176.016 174.700 -0.250 0.000 1.040 60 T CA 1.618 63.594 62.100 -0.208 0.000 1.147 60 T CB -0.456 68.313 68.868 -0.164 0.000 0.865 60 T HN 0.547 nan 8.240 nan 0.000 0.426 61 Y N 1.603 121.760 120.300 -0.237 0.000 2.165 61 Y HA -0.119 4.431 4.550 -0.000 0.000 0.286 61 Y C 2.788 178.463 175.900 -0.376 0.000 1.155 61 Y CA 1.032 58.969 58.100 -0.271 0.000 1.164 61 Y CB -0.714 37.604 38.460 -0.237 0.000 0.978 61 Y HN 0.204 nan 8.280 nan 0.000 0.513 62 A N 0.180 122.797 122.820 -0.339 0.000 1.858 62 A HA -0.246 4.073 4.320 -0.000 0.000 0.216 62 A C 2.294 179.289 177.584 -0.982 0.000 1.190 62 A CA 1.907 53.486 52.037 -0.763 0.000 0.617 62 A CB -0.807 17.478 19.000 -1.192 0.000 0.827 62 A HN 0.433 nan 8.150 nan 0.000 0.443 63 R N -0.534 119.447 120.500 -0.865 0.000 2.080 63 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 63 R C 2.043 178.125 176.300 -0.365 0.000 1.137 63 R CA 1.830 57.583 56.100 -0.578 0.000 0.943 63 R CB -0.272 29.730 30.300 -0.497 0.000 0.846 63 R HN 0.530 nan 8.270 nan 0.000 0.431 64 E N 0.436 120.454 120.200 -0.303 0.000 2.072 64 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 64 E C 2.124 178.651 176.600 -0.121 0.000 0.985 64 E CA 1.211 57.510 56.400 -0.170 0.000 0.801 64 E CB -0.077 29.517 29.700 -0.176 0.000 0.750 64 E HN 0.433 nan 8.360 nan 0.000 0.452 65 L N 0.055 121.178 121.223 -0.168 0.000 2.168 65 L HA -0.039 4.301 4.340 -0.000 0.000 0.203 65 L C 2.531 179.431 176.870 0.049 0.000 1.078 65 L CA 0.231 55.031 54.840 -0.067 0.000 0.780 65 L CB -0.320 41.587 42.059 -0.254 0.000 0.939 65 L HN -0.068 nan 8.230 nan 0.000 0.451 66 V N 0.772 120.613 119.914 -0.122 0.000 2.287 66 V HA -0.245 3.874 4.120 -0.000 0.000 0.248 66 V C 2.650 178.745 176.094 0.003 0.000 1.053 66 V CA 2.188 64.452 62.300 -0.061 0.000 1.027 66 V CB -1.333 30.378 31.823 -0.187 0.000 0.646 66 V HN 0.579 nan 8.190 nan 0.000 0.447 67 G N -0.584 108.198 108.800 -0.030 0.000 2.432 67 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.219 67 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.219 67 G C 1.458 176.374 174.900 0.027 0.000 1.135 67 G CA 0.851 45.953 45.100 0.003 0.000 0.767 67 G HN 0.659 nan 8.290 nan 0.000 0.550 68 A N -0.490 122.368 122.820 0.064 0.000 2.251 68 A HA 0.494 4.813 4.320 -0.000 0.000 0.209 68 A C 1.873 179.441 177.584 -0.025 0.000 1.187 68 A CA 1.176 53.256 52.037 0.072 0.000 0.823 68 A CB -0.378 18.740 19.000 0.196 0.000 0.846 68 A HN 1.562 nan 8.150 nan 0.000 0.486 69 G N -2.159 106.637 108.800 -0.008 0.000 2.141 69 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.231 69 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.231 69 G C -0.085 174.725 174.900 -0.150 0.000 0.984 69 G CA 0.084 45.137 45.100 -0.079 0.000 0.660 69 G HN 0.400 nan 8.290 nan 0.000 0.525 70 Y N 0.401 120.684 120.300 -0.029 0.000 2.336 70 Y HA 0.439 4.989 4.550 -0.000 0.000 0.331 70 Y C 1.101 176.976 175.900 -0.041 0.000 1.211 70 Y CA -0.039 58.043 58.100 -0.030 0.000 1.346 70 Y CB 0.778 39.214 38.460 -0.040 0.000 1.271 70 Y HN 0.088 nan 8.280 nan 0.000 0.538 71 K N 2.904 123.369 120.400 0.109 0.000 2.292 71 K HA 0.380 4.700 4.320 -0.000 0.000 0.290 71 K C -1.542 175.154 176.600 0.160 0.000 1.083 71 K CA -0.120 56.211 56.287 0.074 0.000 0.918 71 K CB -0.027 32.488 32.500 0.025 0.000 1.089 71 K HN 0.498 nan 8.250 nan 0.000 0.473 72 V N 3.282 123.266 119.914 0.116 0.000 2.513 72 V HA 0.577 4.697 4.120 -0.000 0.000 0.299 72 V C -0.249 175.726 176.094 -0.198 0.000 1.035 72 V CA -0.943 61.376 62.300 0.031 0.000 0.889 72 V CB 1.419 33.303 31.823 0.102 0.000 0.988 72 V HN 0.879 nan 8.190 nan 0.000 0.440 73 A N 5.723 128.258 122.820 -0.475 0.000 2.342 73 A HA 0.924 5.244 4.320 -0.000 0.000 0.323 73 A C -0.639 176.579 177.584 -0.609 0.000 1.125 73 A CA -0.612 50.912 52.037 -0.855 0.000 0.785 73 A CB 1.511 19.633 19.000 -1.464 0.000 1.221 73 A HN 0.911 nan 8.150 nan 0.000 0.463 74 M N 2.417 121.590 119.600 -0.713 0.000 2.393 74 M HA 0.735 5.214 4.480 -0.000 0.000 0.316 74 M C -2.129 173.826 176.300 -0.576 0.000 1.087 74 M CA -0.440 54.622 55.300 -0.396 0.000 0.937 74 M CB 1.145 33.721 32.600 -0.039 0.000 1.668 74 M HN 0.594 nan 8.290 nan 0.000 0.438 75 F N 2.315 122.251 119.950 -0.023 0.000 2.469 75 F HA 0.559 5.086 4.527 -0.000 0.000 0.332 75 F C -0.109 175.682 175.800 -0.014 0.000 1.103 75 F CA -0.488 57.515 58.000 0.005 0.000 0.979 75 F CB 1.432 40.414 39.000 -0.031 0.000 1.137 75 F HN 0.456 nan 8.300 nan 0.000 0.463 76 D N 2.818 123.304 120.400 0.143 0.000 2.879 76 D HA 0.221 4.861 4.640 -0.000 0.000 0.236 76 D C 0.489 176.809 176.300 0.033 0.000 1.171 76 D CA -0.333 53.705 54.000 0.062 0.000 0.868 76 D CB 2.437 43.258 40.800 0.035 0.000 1.598 76 D HN 0.645 nan 8.370 nan 0.000 0.497 77 I N 1.994 122.538 120.570 -0.043 0.000 2.614 77 I HA 0.021 4.191 4.170 -0.000 0.000 0.258 77 I C 1.136 177.213 176.117 -0.067 0.000 1.189 77 I CA 0.741 61.975 61.300 -0.111 0.000 1.462 77 I CB 0.160 37.977 38.000 -0.305 0.000 1.092 77 I HN 0.331 nan 8.210 nan 0.000 0.442 78 G N -0.028 108.750 108.800 -0.037 0.000 2.537 78 G HA2 0.391 4.351 3.960 -0.000 0.000 0.297 78 G HA3 0.391 4.351 3.960 -0.000 0.000 0.297 78 G C -0.816 174.098 174.900 0.023 0.000 1.310 78 G CA -0.408 44.693 45.100 0.002 0.000 1.027 78 G HN 0.302 nan 8.290 nan 0.000 0.505 79 E N -1.465 118.753 120.200 0.031 0.000 2.339 79 E HA 0.373 4.723 4.350 -0.000 0.000 0.262 79 E C -0.513 176.107 176.600 0.033 0.000 0.934 79 E CA -0.792 55.628 56.400 0.034 0.000 0.802 79 E CB 2.535 32.258 29.700 0.038 0.000 1.275 79 E HN 0.261 nan 8.360 nan 0.000 0.427 80 I N 2.477 123.065 120.570 0.031 0.000 2.517 80 I HA 0.004 4.173 4.170 -0.000 0.000 0.285 80 I C -0.239 175.902 176.117 0.040 0.000 1.106 80 I CA 0.656 61.976 61.300 0.032 0.000 1.402 80 I CB 0.133 38.148 38.000 0.024 0.000 1.399 80 I HN 0.543 nan 8.210 nan 0.000 0.535 81 D N 2.566 122.996 120.400 0.049 0.000 3.279 81 D HA 0.035 4.675 4.640 -0.000 0.000 0.336 81 D C -0.201 176.147 176.300 0.081 0.000 1.512 81 D CA -0.343 53.693 54.000 0.060 0.000 0.754 81 D CB -0.142 40.691 40.800 0.054 0.000 1.278 81 D HN 0.217 nan 8.370 nan 0.000 0.553 82 S N -0.081 115.669 115.700 0.084 0.000 2.741 82 S HA 0.647 5.117 4.470 -0.000 0.000 0.247 82 S C 0.955 175.621 174.600 0.109 0.000 1.050 82 S CA -0.086 58.181 58.200 0.112 0.000 1.025 82 S CB 0.852 64.121 63.200 0.115 0.000 0.897 82 S HN 0.878 nan 8.310 nan 0.000 0.508 83 G N 1.674 110.527 108.800 0.088 0.000 2.568 83 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.222 83 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.222 83 G C 0.319 175.251 174.900 0.054 0.000 1.321 83 G CA -0.234 44.911 45.100 0.076 0.000 0.893 83 G HN 0.300 nan 8.290 nan 0.000 0.569 84 L N 0.420 121.670 121.223 0.045 0.000 2.217 84 L HA 0.108 4.448 4.340 -0.000 0.000 0.211 84 L C 1.473 178.355 176.870 0.020 0.000 1.107 84 L CA 1.022 55.878 54.840 0.026 0.000 0.783 84 L CB -0.315 41.755 42.059 0.018 0.000 0.919 84 L HN 0.327 nan 8.230 nan 0.000 0.442 85 K N 1.731 122.152 120.400 0.036 0.000 2.273 85 K HA 0.314 4.634 4.320 -0.000 0.000 0.287 85 K C -0.325 176.296 176.600 0.036 0.000 1.089 85 K CA -0.192 56.113 56.287 0.030 0.000 0.909 85 K CB 0.818 33.350 32.500 0.053 0.000 1.123 85 K HN 0.096 nan 8.250 nan 0.000 0.473 86 I N 2.031 122.606 120.570 0.008 0.000 2.598 86 I HA -0.047 4.123 4.170 -0.000 0.000 0.284 86 I C 1.330 177.463 176.117 0.027 0.000 1.140 86 I CA 0.667 61.976 61.300 0.015 0.000 1.420 86 I CB 0.395 38.393 38.000 -0.003 0.000 1.387 86 I HN 0.959 nan 8.210 nan 0.000 0.553 87 G N 4.365 113.193 108.800 0.046 0.000 2.160 87 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.251 87 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.251 87 G C 0.299 175.250 174.900 0.084 0.000 1.008 87 G CA 0.111 45.245 45.100 0.056 0.000 0.724 87 G HN 0.960 nan 8.290 nan 0.000 0.514 88 A N -0.495 122.390 122.820 0.107 0.000 2.257 88 A HA 0.642 4.962 4.320 -0.000 0.000 0.289 88 A C 0.557 178.265 177.584 0.207 0.000 1.095 88 A CA -0.362 51.776 52.037 0.168 0.000 0.836 88 A CB 0.332 19.431 19.000 0.165 0.000 1.111 88 A HN 0.615 nan 8.150 nan 0.000 0.497 89 H N 0.467 119.677 119.070 0.233 0.000 2.848 89 H HA 0.105 4.661 4.556 -0.000 0.000 0.317 89 H C 0.713 176.170 175.328 0.215 0.000 1.046 89 H CA 0.709 56.909 56.048 0.252 0.000 1.470 89 H CB 0.811 30.742 29.762 0.281 0.000 1.483 89 H HN 0.673 nan 8.280 nan 0.000 0.548 90 K N 3.483 124.084 120.400 0.335 0.000 2.362 90 K HA -0.108 4.211 4.320 -0.000 0.000 0.200 90 K C 1.687 178.539 176.600 0.421 0.000 1.046 90 K CA 0.669 57.202 56.287 0.411 0.000 0.952 90 K CB 0.338 33.075 32.500 0.394 0.000 0.753 90 K HN 0.421 nan 8.250 nan 0.000 0.466 91 K N 0.980 121.512 120.400 0.220 0.000 2.486 91 K HA -0.003 4.317 4.320 -0.000 0.000 0.194 91 K C 0.258 176.879 176.600 0.036 0.000 1.033 91 K CA 0.436 56.515 56.287 -0.348 0.000 1.004 91 K CB 0.270 32.093 32.500 -1.128 0.000 0.798 91 K HN -0.006 nan 8.250 nan 0.000 0.495 92 N N 1.910 120.742 118.700 0.219 0.000 2.597 92 N HA -0.010 4.729 4.740 -0.000 0.000 0.269 92 N C -0.819 174.939 175.510 0.414 0.000 1.204 92 N CA 0.272 53.485 53.050 0.271 0.000 0.947 92 N CB 0.724 39.427 38.487 0.360 0.000 1.258 92 N HN 0.254 nan 8.380 nan 0.000 0.508 93 T N -4.337 110.435 114.554 0.363 0.000 2.918 93 T HA 0.345 4.695 4.350 -0.000 0.000 0.286 93 T C 1.477 176.378 174.700 0.334 0.000 1.026 93 T CA -0.772 61.533 62.100 0.341 0.000 1.031 93 T CB 1.718 70.748 68.868 0.270 0.000 1.046 93 T HN -0.186 nan 8.240 nan 0.000 0.479 94 V N 1.282 121.378 119.914 0.304 0.000 2.392 94 V HA -0.129 3.991 4.120 -0.000 0.000 0.249 94 V C 2.798 178.970 176.094 0.131 0.000 1.059 94 V CA 2.354 64.809 62.300 0.260 0.000 1.051 94 V CB -0.987 30.933 31.823 0.161 0.000 0.658 94 V HN 1.037 nan 8.190 nan 0.000 0.455 95 E N -0.413 119.811 120.200 0.040 0.000 2.077 95 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 95 E C 2.002 178.553 176.600 -0.082 0.000 0.989 95 E CA 1.628 57.983 56.400 -0.074 0.000 0.800 95 E CB -0.302 29.283 29.700 -0.193 0.000 0.746 95 E HN 0.686 nan 8.360 nan 0.000 0.452 96 Y N 0.609 120.977 120.300 0.113 0.000 2.373 96 Y HA -0.026 4.523 4.550 -0.000 0.000 0.293 96 Y C 2.196 178.115 175.900 0.033 0.000 1.129 96 Y CA 1.007 59.166 58.100 0.098 0.000 1.226 96 Y CB -0.030 38.504 38.460 0.124 0.000 1.000 96 Y HN 0.123 nan 8.280 nan 0.000 0.549 97 Q N 0.127 120.012 119.800 0.142 0.000 2.230 97 Q HA -0.125 4.214 4.340 -0.000 0.000 0.202 97 Q C 1.778 177.824 176.000 0.077 0.000 0.963 97 Q CA 0.974 56.803 55.803 0.044 0.000 0.866 97 Q CB -0.114 28.576 28.738 -0.079 0.000 0.931 97 Q HN 0.487 nan 8.270 nan 0.000 0.452 98 K N 0.535 120.987 120.400 0.088 0.000 2.228 98 K HA 0.024 4.344 4.320 -0.000 0.000 0.202 98 K C 0.445 177.089 176.600 0.074 0.000 1.051 98 K CA 0.536 56.864 56.287 0.069 0.000 0.960 98 K CB 0.347 32.878 32.500 0.051 0.000 0.743 98 K HN 0.129 nan 8.250 nan 0.000 0.458 99 N N 1.079 119.842 118.700 0.106 0.000 2.703 99 N HA 0.036 4.776 4.740 -0.000 0.000 0.283 99 N C 0.226 175.863 175.510 0.212 0.000 1.851 99 N CA -0.011 53.116 53.050 0.129 0.000 0.826 99 N CB 1.066 39.614 38.487 0.102 0.000 1.239 99 N HN -0.011 nan 8.380 nan 0.000 0.495 100 I N 1.258 121.936 120.570 0.179 0.000 2.194 100 I HA -0.248 3.922 4.170 -0.000 0.000 0.246 100 I C 1.100 177.350 176.117 0.221 0.000 1.093 100 I CA 1.815 63.223 61.300 0.180 0.000 1.355 100 I CB -0.006 38.053 38.000 0.098 0.000 1.046 100 I HN 0.202 nan 8.210 nan 0.000 0.413 101 D N 0.789 121.315 120.400 0.210 0.000 2.221 101 D HA -0.174 4.465 4.640 -0.000 0.000 0.204 101 D C 2.014 178.421 176.300 0.179 0.000 0.982 101 D CA 0.687 54.810 54.000 0.204 0.000 0.857 101 D CB -0.126 40.826 40.800 0.253 0.000 0.934 101 D HN 0.327 nan 8.370 nan 0.000 0.475 102 K N 0.131 120.674 120.400 0.237 0.000 2.280 102 K HA -0.117 4.202 4.320 -0.000 0.000 0.202 102 K C 1.800 178.556 176.600 0.260 0.000 1.047 102 K CA 0.099 56.546 56.287 0.266 0.000 0.942 102 K CB -0.464 32.244 32.500 0.348 0.000 0.739 102 K HN 0.224 nan 8.250 nan 0.000 0.457 103 F N 1.767 121.740 119.950 0.039 0.000 2.333 103 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 103 F C 1.938 177.640 175.800 -0.164 0.000 1.083 103 F CA 0.649 58.489 58.000 -0.267 0.000 1.395 103 F CB -0.198 38.608 39.000 -0.324 0.000 1.056 103 F HN -0.158 nan 8.300 nan 0.000 0.529 104 V N -1.635 118.223 119.914 -0.094 0.000 2.568 104 V HA -0.301 3.819 4.120 -0.000 0.000 0.253 104 V C 1.800 177.756 176.094 -0.231 0.000 1.072 104 V CA 2.409 64.609 62.300 -0.166 0.000 1.084 104 V CB -1.350 30.387 31.823 -0.144 0.000 0.676 104 V HN 0.340 nan 8.190 nan 0.000 0.469 105 N N 0.783 119.368 118.700 -0.192 0.000 2.188 105 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 105 N C 1.678 177.042 175.510 -0.243 0.000 1.018 105 N CA 1.483 54.437 53.050 -0.160 0.000 0.858 105 N CB -0.374 38.081 38.487 -0.053 0.000 0.989 105 N HN 0.430 nan 8.380 nan 0.000 0.426 106 V N 1.244 120.881 119.914 -0.463 0.000 2.295 106 V HA -0.205 3.914 4.120 -0.000 0.000 0.246 106 V C 2.036 177.845 176.094 -0.475 0.000 1.049 106 V CA 1.415 63.377 62.300 -0.563 0.000 1.024 106 V CB -0.497 30.658 31.823 -1.113 0.000 0.648 106 V HN 0.299 nan 8.190 nan 0.000 0.447 107 I N -0.309 119.928 120.570 -0.555 0.000 2.127 107 I HA -0.337 3.833 4.170 -0.000 0.000 0.241 107 I C 2.731 178.742 176.117 -0.177 0.000 1.075 107 I CA 1.815 62.937 61.300 -0.297 0.000 1.334 107 I CB -0.471 37.400 38.000 -0.216 0.000 1.040 107 I HN 0.350 nan 8.210 nan 0.000 0.405 108 Q N 0.457 120.154 119.800 -0.172 0.000 2.096 108 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 108 Q C 2.368 178.315 176.000 -0.087 0.000 0.982 108 Q CA 1.639 57.373 55.803 -0.115 0.000 0.850 108 Q CB -0.499 28.170 28.738 -0.114 0.000 0.901 108 Q HN 0.668 nan 8.270 nan 0.000 0.422 109 G N 1.407 110.147 108.800 -0.099 0.000 2.450 109 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 109 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 109 G C 1.276 176.150 174.900 -0.043 0.000 1.130 109 G CA 1.109 46.171 45.100 -0.065 0.000 0.760 109 G HN 0.508 nan 8.290 nan 0.000 0.557 110 Q N -0.713 119.053 119.800 -0.055 0.000 2.396 110 Q HA 0.319 4.659 4.340 -0.000 0.000 0.209 110 Q C 0.787 176.786 176.000 -0.001 0.000 0.906 110 Q CA -0.157 55.633 55.803 -0.022 0.000 0.927 110 Q CB 0.013 28.734 28.738 -0.027 0.000 1.069 110 Q HN 0.303 nan 8.270 nan 0.000 0.523 111 L N 2.026 123.241 121.223 -0.013 0.000 2.313 111 L HA 0.331 4.671 4.340 -0.000 0.000 0.282 111 L C -0.610 176.270 176.870 0.016 0.000 1.092 111 L CA -0.526 54.318 54.840 0.005 0.000 0.831 111 L CB 0.895 42.948 42.059 -0.010 0.000 1.159 111 L HN 0.181 nan 8.230 nan 0.000 0.442 112 M N 2.546 122.171 119.600 0.042 0.000 2.167 112 M HA 0.267 4.747 4.480 -0.000 0.000 0.333 112 M C -0.008 176.323 176.300 0.052 0.000 1.030 112 M CA -0.308 55.024 55.300 0.052 0.000 0.963 112 M CB 1.641 34.295 32.600 0.089 0.000 1.589 112 M HN 0.347 nan 8.290 nan 0.000 0.431 113 S N 2.045 117.766 115.700 0.034 0.000 2.563 113 S HA 0.077 4.547 4.470 -0.000 0.000 0.294 113 S C 1.505 176.133 174.600 0.046 0.000 1.279 113 S CA -0.494 57.725 58.200 0.032 0.000 1.069 113 S CB 0.442 63.651 63.200 0.014 0.000 0.828 113 S HN 0.592 nan 8.310 nan 0.000 0.497 114 V N 2.535 122.487 119.914 0.063 0.000 2.323 114 V HA -0.000 4.119 4.120 -0.000 0.000 0.244 114 V C 1.223 177.310 176.094 -0.012 0.000 1.041 114 V CA 1.453 63.779 62.300 0.043 0.000 1.025 114 V CB -0.001 31.880 31.823 0.097 0.000 0.656 114 V HN 0.795 nan 8.190 nan 0.000 0.451 115 S N -0.472 115.239 115.700 0.018 0.000 2.776 115 S HA 0.511 4.981 4.470 -0.000 0.000 0.284 115 S C -1.105 173.492 174.600 -0.006 0.000 1.160 115 S CA -0.462 57.715 58.200 -0.038 0.000 1.051 115 S CB 1.425 64.566 63.200 -0.098 0.000 1.037 115 S HN 0.011 nan 8.310 nan 0.000 0.485 116 V N 7.852 127.752 119.914 -0.024 0.000 2.347 116 V HA 0.536 4.656 4.120 -0.000 0.000 0.280 116 V C -1.944 174.129 176.094 -0.035 0.000 1.021 116 V CA -1.817 60.469 62.300 -0.023 0.000 0.847 116 V CB 1.355 33.165 31.823 -0.022 0.000 0.990 116 V HN 0.696 nan 8.190 nan 0.000 0.444 117 P HA 0.149 nan 4.420 nan 0.000 0.272 117 P C -0.133 177.139 177.300 -0.046 0.000 1.240 117 P CA -0.111 62.967 63.100 -0.038 0.000 0.791 117 P CB 0.879 32.558 31.700 -0.035 0.000 0.978 118 V N 2.463 122.353 119.914 -0.040 0.000 2.599 118 V HA -0.041 4.079 4.120 -0.000 0.000 0.300 118 V C 1.273 177.313 176.094 -0.091 0.000 1.034 118 V CA 0.224 62.496 62.300 -0.046 0.000 1.115 118 V CB -0.626 31.192 31.823 -0.008 0.000 0.934 118 V HN 0.628 nan 8.190 nan 0.000 0.485 119 N N 3.588 122.223 118.700 -0.107 0.000 2.458 119 N HA 0.097 4.837 4.740 -0.000 0.000 0.270 119 N C 0.597 175.916 175.510 -0.318 0.000 1.102 119 N CA 0.347 53.303 53.050 -0.157 0.000 0.967 119 N CB 1.559 39.984 38.487 -0.104 0.000 1.078 119 N HN 0.857 nan 8.380 nan 0.000 0.471 120 T N 0.908 115.149 114.554 -0.523 0.000 3.228 120 T HA 0.275 4.625 4.350 -0.000 0.000 0.278 120 T C 0.789 174.958 174.700 -0.885 0.000 1.014 120 T CA -0.426 60.917 62.100 -1.261 0.000 0.904 120 T CB -0.438 67.873 68.868 -0.929 0.000 1.110 120 T HN 0.280 nan 8.240 nan 0.000 0.541 121 L N 2.109 123.103 121.223 -0.382 0.000 2.410 121 L HA 0.363 4.702 4.340 -0.000 0.000 0.273 121 L C 0.026 176.919 176.870 0.039 0.000 1.152 121 L CA -0.700 54.056 54.840 -0.139 0.000 0.855 121 L CB 0.944 42.962 42.059 -0.069 0.000 1.129 121 L HN 0.080 nan 8.230 nan 0.000 0.463 122 V N 4.945 124.913 119.914 0.090 0.000 2.406 122 V HA 0.165 4.285 4.120 -0.000 0.000 0.272 122 V C 0.182 176.341 176.094 0.108 0.000 1.043 122 V CA -0.476 61.937 62.300 0.189 0.000 0.915 122 V CB 1.503 33.425 31.823 0.165 0.000 0.988 122 V HN 0.404 nan 8.190 nan 0.000 0.466 123 V N 5.435 125.416 119.914 0.111 0.000 2.294 123 V HA 0.331 4.451 4.120 -0.000 0.000 0.272 123 V C 0.257 176.382 176.094 0.053 0.000 1.027 123 V CA -0.412 61.930 62.300 0.069 0.000 0.823 123 V CB 1.292 33.157 31.823 0.069 0.000 1.030 123 V HN 1.063 nan 8.190 nan 0.000 0.457 124 D N 2.141 122.565 120.400 0.039 0.000 2.538 124 D HA 0.009 4.649 4.640 -0.000 0.000 0.231 124 D C 1.079 177.389 176.300 0.016 0.000 1.229 124 D CA 0.211 54.225 54.000 0.023 0.000 0.828 124 D CB 0.446 41.259 40.800 0.022 0.000 1.035 124 D HN 0.545 nan 8.370 nan 0.000 0.495 125 T N -1.738 112.829 114.554 0.021 0.000 3.266 125 T HA 0.346 4.695 4.350 -0.000 0.000 0.278 125 T C 0.620 175.332 174.700 0.020 0.000 1.010 125 T CA -0.565 61.546 62.100 0.017 0.000 0.909 125 T CB -0.373 68.505 68.868 0.017 0.000 1.122 125 T HN 0.006 nan 8.240 nan 0.000 0.536 126 L N 1.990 123.227 121.223 0.022 0.000 2.467 126 L HA 0.320 4.660 4.340 -0.000 0.000 0.270 126 L C 1.141 178.023 176.870 0.019 0.000 1.205 126 L CA -0.511 54.345 54.840 0.027 0.000 0.828 126 L CB 0.443 42.522 42.059 0.033 0.000 1.101 126 L HN 0.254 nan 8.230 nan 0.000 0.479 127 S N 2.112 117.827 115.700 0.024 0.000 2.558 127 S HA 0.086 4.556 4.470 -0.000 0.000 0.288 127 S C -1.383 173.226 174.600 0.014 0.000 1.318 127 S CA -1.018 57.193 58.200 0.019 0.000 1.056 127 S CB 0.741 63.955 63.200 0.024 0.000 0.853 127 S HN 0.420 nan 8.310 nan 0.000 0.505 128 P HA -0.097 nan 4.420 nan 0.000 0.220 128 P C 1.369 178.672 177.300 0.005 0.000 1.144 128 P CA 1.446 64.544 63.100 -0.002 0.000 0.800 128 P CB -0.252 31.446 31.700 -0.005 0.000 0.772 129 T N -5.469 109.096 114.554 0.019 0.000 3.055 129 T HA 0.069 4.419 4.350 -0.000 0.000 0.265 129 T C 1.031 175.766 174.700 0.058 0.000 1.111 129 T CA 0.146 62.266 62.100 0.032 0.000 1.118 129 T CB -0.622 68.266 68.868 0.033 0.000 0.909 129 T HN -0.085 nan 8.240 nan 0.000 0.501 130 S N 1.372 117.109 115.700 0.063 0.000 2.565 130 S HA 0.302 4.772 4.470 -0.000 0.000 0.276 130 S C -0.582 174.103 174.600 0.141 0.000 1.326 130 S CA -0.991 57.275 58.200 0.110 0.000 1.045 130 S CB 0.186 63.444 63.200 0.097 0.000 0.918 130 S HN 0.591 nan 8.310 nan 0.000 0.505 131 W N 3.053 124.361 121.300 0.014 0.000 2.210 131 W HA 0.213 4.873 4.660 -0.000 0.000 0.330 131 W C -0.039 176.495 176.519 0.025 0.000 1.334 131 W CA 0.212 57.565 57.345 0.013 0.000 1.227 131 W CB 0.413 29.881 29.460 0.013 0.000 1.178 131 W HN 0.375 nan 8.180 nan 0.000 0.560 132 Q N 4.480 123.899 119.800 -0.636 0.000 2.305 132 Q HA 0.448 4.787 4.340 -0.000 0.000 0.271 132 Q C -0.381 174.894 176.000 -1.208 0.000 1.046 132 Q CA -0.721 54.711 55.803 -0.618 0.000 0.798 132 Q CB 1.891 30.470 28.738 -0.265 0.000 1.286 132 Q HN 0.633 nan 8.270 nan 0.000 0.435 133 A N 1.401 123.682 122.820 -0.898 0.000 2.466 133 A HA 0.214 4.533 4.320 -0.000 0.000 0.238 133 A C 0.818 178.220 177.584 -0.305 0.000 1.074 133 A CA 0.192 51.943 52.037 -0.477 0.000 0.774 133 A CB 0.331 19.453 19.000 0.204 0.000 1.015 133 A HN 0.721 nan 8.150 nan 0.000 0.498 134 S N -0.518 115.034 115.700 -0.247 0.000 2.593 134 S HA 0.144 4.613 4.470 -0.000 0.000 0.217 134 S C 0.737 175.213 174.600 -0.207 0.000 0.966 134 S CA 0.754 58.827 58.200 -0.212 0.000 0.914 134 S CB -0.323 62.778 63.200 -0.166 0.000 0.776 134 S HN 1.130 nan 8.310 nan 0.000 0.523 135 T N -1.575 112.884 114.554 -0.159 0.000 2.864 135 T HA 0.624 4.974 4.350 -0.000 0.000 0.299 135 T C -0.922 173.704 174.700 -0.124 0.000 1.166 135 T CA -0.747 61.262 62.100 -0.152 0.000 1.007 135 T CB 0.730 69.619 68.868 0.034 0.000 1.219 135 T HN -0.094 nan 8.240 nan 0.000 0.506 136 F N 3.146 123.167 119.950 0.118 0.000 2.605 136 F HA 0.396 4.923 4.527 -0.000 0.000 0.352 136 F C 0.401 176.242 175.800 0.069 0.000 1.236 136 F CA -1.829 56.203 58.000 0.053 0.000 1.267 136 F CB -0.889 38.116 39.000 0.009 0.000 1.632 136 F HN 0.571 nan 8.300 nan 0.000 0.639 137 F N -0.637 119.415 119.950 0.170 0.000 2.375 137 F HA 0.598 5.125 4.527 -0.000 0.000 0.313 137 F C -0.058 175.815 175.800 0.121 0.000 1.176 137 F CA -1.625 56.451 58.000 0.126 0.000 1.142 137 F CB -0.065 38.999 39.000 0.107 0.000 1.275 137 F HN -0.154 nan 8.300 nan 0.000 0.544 138 V N 2.937 122.976 119.914 0.208 0.000 2.425 138 V HA 0.237 4.357 4.120 -0.000 0.000 0.276 138 V C 0.165 176.270 176.094 0.018 0.000 1.017 138 V CA 0.077 62.424 62.300 0.079 0.000 1.062 138 V CB -0.774 31.122 31.823 0.122 0.000 0.997 138 V HN 0.732 nan 8.190 nan 0.000 0.476 139 R N 3.845 124.255 120.500 -0.149 0.000 2.744 139 R HA 0.456 4.796 4.340 -0.000 0.000 0.279 139 R C 0.143 176.393 176.300 -0.083 0.000 0.977 139 R CA -0.904 55.071 56.100 -0.207 0.000 0.906 139 R CB 1.387 31.425 30.300 -0.436 0.000 1.197 139 R HN 0.704 nan 8.270 nan 0.000 0.463 140 N N 0.757 119.435 118.700 -0.036 0.000 2.725 140 N HA -0.195 4.544 4.740 -0.000 0.000 0.249 140 N C 0.494 175.993 175.510 -0.019 0.000 1.103 140 N CA 1.561 54.595 53.050 -0.026 0.000 0.707 140 N CB -1.137 37.327 38.487 -0.039 0.000 1.043 140 N HN 1.083 nan 8.380 nan 0.000 0.553 141 G N -1.725 107.069 108.800 -0.009 0.000 2.159 141 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.256 141 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.256 141 G C 0.261 175.155 174.900 -0.010 0.000 0.977 141 G CA 0.924 46.022 45.100 -0.004 0.000 0.652 141 G HN 1.350 nan 8.290 nan 0.000 0.531 142 S N -0.465 115.223 115.700 -0.020 0.000 2.579 142 S HA 0.437 4.906 4.470 -0.000 0.000 0.275 142 S C 0.143 174.731 174.600 -0.019 0.000 1.345 142 S CA 0.167 58.351 58.200 -0.026 0.000 1.031 142 S CB 1.704 64.880 63.200 -0.040 0.000 0.892 142 S HN 0.692 nan 8.310 nan 0.000 0.529 143 N N 2.302 120.983 118.700 -0.032 0.000 2.527 143 N HA 0.364 5.104 4.740 -0.000 0.000 0.236 143 N C -1.684 173.808 175.510 -0.030 0.000 0.999 143 N CA -2.550 50.473 53.050 -0.044 0.000 0.935 143 N CB 1.218 39.650 38.487 -0.093 0.000 1.132 143 N HN 0.366 nan 8.380 nan 0.000 0.511 144 P HA -0.041 nan 4.420 nan 0.000 0.233 144 P C 0.327 177.647 177.300 0.032 0.000 1.167 144 P CA 0.774 63.889 63.100 0.025 0.000 0.770 144 P CB 0.576 32.307 31.700 0.051 0.000 0.837 145 E N -0.086 120.118 120.200 0.006 0.000 2.274 145 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 145 E C 0.940 177.543 176.600 0.005 0.000 0.996 145 E CA 0.625 57.046 56.400 0.034 0.000 0.840 145 E CB -0.157 29.495 29.700 -0.079 0.000 0.772 145 E HN 0.306 nan 8.360 nan 0.000 0.491 146 Q N 2.257 122.024 119.800 -0.055 0.000 2.307 146 Q HA 0.023 4.363 4.340 -0.000 0.000 0.259 146 Q C -0.832 175.173 176.000 0.007 0.000 0.998 146 Q CA -0.171 55.598 55.803 -0.057 0.000 0.923 146 Q CB 0.741 29.433 28.738 -0.077 0.000 1.196 146 Q HN -0.196 nan 8.270 nan 0.000 0.416 147 D N 6.171 126.595 120.400 0.041 0.000 2.358 147 D HA 0.056 4.695 4.640 -0.000 0.000 0.258 147 D C -1.680 174.634 176.300 0.024 0.000 1.223 147 D CA -1.877 52.149 54.000 0.043 0.000 0.886 147 D CB 1.262 42.101 40.800 0.065 0.000 1.120 147 D HN 0.441 nan 8.370 nan 0.000 0.482 148 P HA -0.089 nan 4.420 nan 0.000 0.225 148 P C 1.158 178.459 177.300 0.001 0.000 1.148 148 P CA 0.699 63.796 63.100 -0.005 0.000 0.779 148 P CB 0.311 31.996 31.700 -0.025 0.000 0.780 149 L N -1.203 120.025 121.223 0.008 0.000 2.607 149 L HA 0.208 4.548 4.340 -0.000 0.000 0.228 149 L C 1.407 178.289 176.870 0.019 0.000 1.123 149 L CA 0.140 54.986 54.840 0.009 0.000 0.890 149 L CB -0.107 41.954 42.059 0.004 0.000 1.103 149 L HN -0.179 nan 8.230 nan 0.000 0.468 150 R N -0.154 120.368 120.500 0.036 0.000 2.734 150 R HA 0.229 4.569 4.340 -0.000 0.000 0.395 150 R C -0.443 175.912 176.300 0.091 0.000 1.096 150 R CA -0.278 55.855 56.100 0.055 0.000 1.071 150 R CB 0.306 30.640 30.300 0.058 0.000 1.348 150 R HN 0.041 nan 8.270 nan 0.000 0.600 151 N N 0.615 119.346 118.700 0.052 0.000 2.483 151 N HA 0.389 5.129 4.740 -0.000 0.000 0.285 151 N C -0.716 174.716 175.510 -0.130 0.000 1.210 151 N CA -0.652 52.414 53.050 0.027 0.000 0.931 151 N CB 1.211 39.711 38.487 0.021 0.000 1.220 151 N HN 0.097 nan 8.380 nan 0.000 0.542 152 L N 2.024 123.022 121.223 -0.376 0.000 2.504 152 L HA 0.216 4.556 4.340 -0.000 0.000 0.249 152 L C 1.409 178.103 176.870 -0.293 0.000 1.120 152 L CA -0.284 54.204 54.840 -0.588 0.000 0.997 152 L CB 0.510 41.832 42.059 -1.228 0.000 1.349 152 L HN 0.650 nan 8.230 nan 0.000 0.439 153 S N -0.128 115.490 115.700 -0.137 0.000 2.419 153 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 153 S C 1.777 176.340 174.600 -0.061 0.000 1.016 153 S CA 1.091 59.254 58.200 -0.062 0.000 0.974 153 S CB -0.212 62.965 63.200 -0.039 0.000 0.786 153 S HN 0.639 nan 8.310 nan 0.000 0.492 154 G N 0.489 109.237 108.800 -0.087 0.000 2.813 154 G HA2 0.086 4.046 3.960 -0.000 0.000 0.209 154 G HA3 0.086 4.046 3.960 -0.000 0.000 0.209 154 G C 0.540 175.402 174.900 -0.065 0.000 1.150 154 G CA -0.316 44.744 45.100 -0.067 0.000 0.785 154 G HN 0.380 nan 8.290 nan 0.000 0.535 155 Q N 0.663 120.403 119.800 -0.100 0.000 2.300 155 Q HA 0.456 4.796 4.340 -0.000 0.000 0.280 155 Q C -0.076 175.942 176.000 0.030 0.000 1.033 155 Q CA 0.322 56.094 55.803 -0.050 0.000 0.903 155 Q CB 1.277 29.956 28.738 -0.098 0.000 1.195 155 Q HN 0.298 nan 8.270 nan 0.000 0.386 156 A N 2.234 125.074 122.820 0.033 0.000 2.594 156 A HA 0.754 5.073 4.320 -0.000 0.000 0.291 156 A C -0.948 176.666 177.584 0.050 0.000 1.105 156 A CA -0.581 51.482 52.037 0.042 0.000 0.694 156 A CB 1.425 20.440 19.000 0.025 0.000 1.291 156 A HN 0.476 nan 8.150 nan 0.000 0.410 157 V N -2.016 117.937 119.914 0.065 0.000 3.001 157 V HA 0.932 5.052 4.120 -0.000 0.000 0.314 157 V C -0.382 175.768 176.094 0.094 0.000 1.099 157 V CA -0.498 61.855 62.300 0.087 0.000 0.989 157 V CB 1.549 33.452 31.823 0.134 0.000 1.040 157 V HN 0.866 nan 8.190 nan 0.000 0.434 158 T N 2.894 117.501 114.554 0.088 0.000 2.829 158 T HA 0.616 4.966 4.350 -0.000 0.000 0.280 158 T C -0.344 174.390 174.700 0.057 0.000 0.999 158 T CA -0.525 61.612 62.100 0.061 0.000 0.983 158 T CB 1.214 70.106 68.868 0.040 0.000 0.968 158 T HN 0.777 nan 8.240 nan 0.000 0.446 159 R N 2.327 122.851 120.500 0.039 0.000 2.363 159 R HA 0.613 4.953 4.340 -0.000 0.000 0.297 159 R C -0.935 175.374 176.300 0.014 0.000 1.208 159 R CA -0.627 55.475 56.100 0.002 0.000 1.121 159 R CB 0.968 31.241 30.300 -0.046 0.000 1.124 159 R HN 0.523 nan 8.270 nan 0.000 0.561 160 V N -1.690 118.232 119.914 0.013 0.000 3.147 160 V HA 0.414 4.533 4.120 -0.000 0.000 0.299 160 V C -0.209 175.896 176.094 0.019 0.000 1.302 160 V CA -1.138 61.175 62.300 0.020 0.000 1.015 160 V CB 1.917 33.755 31.823 0.024 0.000 1.086 160 V HN 0.155 nan 8.190 nan 0.000 0.437 161 V N 3.504 123.434 119.914 0.026 0.000 2.540 161 V HA 0.516 4.636 4.120 -0.000 0.000 0.297 161 V C 1.736 177.848 176.094 0.030 0.000 1.024 161 V CA 1.910 64.228 62.300 0.029 0.000 1.105 161 V CB 0.143 31.985 31.823 0.033 0.000 0.938 161 V HN 2.181 nan 8.190 nan 0.000 0.482 162 G N 3.252 112.068 108.800 0.027 0.000 2.194 162 G HA2 0.024 3.984 3.960 -0.000 0.000 0.236 162 G HA3 0.024 3.984 3.960 -0.000 0.000 0.236 162 G C 0.975 175.868 174.900 -0.011 0.000 0.987 162 G CA 0.233 45.343 45.100 0.017 0.000 0.635 162 G HN 2.168 nan 8.290 nan 0.000 0.520 163 G N -0.084 108.715 108.800 -0.002 0.000 2.578 163 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.275 163 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.275 163 G C 1.101 175.987 174.900 -0.023 0.000 1.271 163 G CA 0.977 46.072 45.100 -0.009 0.000 0.941 163 G HN 1.088 nan 8.290 nan 0.000 0.564 164 M N 1.422 121.004 119.600 -0.030 0.000 2.549 164 M HA -0.000 4.479 4.480 -0.000 0.000 0.260 164 M C 2.598 178.849 176.300 -0.082 0.000 1.076 164 M CA 1.720 57.010 55.300 -0.018 0.000 1.090 164 M CB -0.208 32.408 32.600 0.026 0.000 1.418 164 M HN 0.733 nan 8.290 nan 0.000 0.486 165 S N -0.771 114.793 115.700 -0.227 0.000 2.607 165 S HA -0.037 4.433 4.470 -0.000 0.000 0.224 165 S C 1.630 176.162 174.600 -0.114 0.000 0.969 165 S CA 0.906 58.824 58.200 -0.471 0.000 0.927 165 S CB -0.820 62.079 63.200 -0.502 0.000 0.772 165 S HN 0.553 nan 8.310 nan 0.000 0.533 166 T N -2.528 111.971 114.554 -0.092 0.000 3.113 166 T HA 0.506 4.856 4.350 -0.000 0.000 0.256 166 T C 1.229 175.764 174.700 -0.275 0.000 1.131 166 T CA 0.447 62.468 62.100 -0.131 0.000 1.074 166 T CB 0.073 68.933 68.868 -0.015 0.000 0.944 166 T HN 0.554 nan 8.240 nan 0.000 0.516 167 A N 0.091 122.853 122.820 -0.097 0.000 2.653 167 A HA 0.427 4.747 4.320 -0.000 0.000 0.248 167 A C 0.642 178.465 177.584 0.397 0.000 1.211 167 A CA -0.745 51.404 52.037 0.186 0.000 0.991 167 A CB -0.107 18.970 19.000 0.129 0.000 1.252 167 A HN 0.616 nan 8.150 nan 0.000 0.593 168 W N 0.064 121.407 121.300 0.072 0.000 1.975 168 W HA 0.392 5.052 4.660 -0.000 0.000 0.359 168 W C 0.018 176.630 176.519 0.155 0.000 1.363 168 W CA 0.775 58.201 57.345 0.135 0.000 1.376 168 W CB -0.833 28.684 29.460 0.094 0.000 1.231 168 W HN -0.047 nan 8.180 nan 0.000 0.641 169 T N 0.705 115.222 114.554 -0.063 0.000 3.100 169 T HA 0.025 4.375 4.350 -0.000 0.000 0.253 169 T C 0.988 175.271 174.700 -0.694 0.000 1.118 169 T CA 0.960 62.850 62.100 -0.348 0.000 1.058 169 T CB -0.565 68.261 68.868 -0.069 0.000 0.953 169 T HN 0.645 nan 8.240 nan 0.000 0.515 170 C N 1.103 119.616 119.300 -1.312 0.000 4.497 170 C HA -0.117 4.343 4.460 -0.000 0.000 0.268 170 C C 1.133 175.645 174.990 -0.796 0.000 1.343 170 C CA -0.726 57.291 59.018 -1.669 0.000 1.742 170 C CB -2.776 24.436 27.740 -0.879 0.000 1.450 170 C HN 0.756 nan 8.230 nan 0.000 0.733 171 A N 1.106 123.658 122.820 -0.446 0.000 2.354 171 A HA 0.576 4.895 4.320 -0.000 0.000 0.281 171 A C 0.764 178.266 177.584 -0.135 0.000 1.174 171 A CA 1.036 52.963 52.037 -0.184 0.000 0.828 171 A CB 0.210 19.171 19.000 -0.063 0.000 1.099 171 A HN 1.377 nan 8.150 nan 0.000 0.516 172 T N 1.544 116.037 114.554 -0.102 0.000 3.466 172 T HA 0.515 4.865 4.350 -0.000 0.000 0.297 172 T C -2.704 171.954 174.700 -0.072 0.000 1.640 172 T CA -1.540 60.536 62.100 -0.039 0.000 1.631 172 T CB 0.509 69.389 68.868 0.019 0.000 0.928 172 T HN 0.442 nan 8.240 nan 0.000 0.688 173 P HA 0.381 nan 4.420 nan 0.000 0.277 173 P C -0.155 177.005 177.300 -0.232 0.000 1.240 173 P CA -0.619 62.382 63.100 -0.166 0.000 0.798 173 P CB 1.142 32.711 31.700 -0.219 0.000 0.979 174 R N 0.853 121.136 120.500 -0.362 0.000 2.560 174 R HA 0.405 4.745 4.340 -0.000 0.000 0.270 174 R C 0.043 176.212 176.300 -0.217 0.000 1.074 174 R CA -0.450 55.237 56.100 -0.688 0.000 1.140 174 R CB 0.206 29.935 30.300 -0.951 0.000 1.073 174 R HN 0.377 nan 8.270 nan 0.000 0.527 175 F N 1.874 121.596 119.950 -0.379 0.000 2.396 175 F HA 0.059 4.586 4.527 -0.000 0.000 0.343 175 F C 0.932 176.545 175.800 -0.312 0.000 1.104 175 F CA -1.600 56.202 58.000 -0.329 0.000 1.161 175 F CB 0.348 39.147 39.000 -0.335 0.000 1.146 175 F HN 0.542 nan 8.300 nan 0.000 0.522 176 D N 2.509 122.834 120.400 -0.125 0.000 2.398 176 D HA 0.098 4.738 4.640 -0.000 0.000 0.247 176 D C 1.063 177.272 176.300 -0.152 0.000 1.227 176 D CA -0.378 53.545 54.000 -0.128 0.000 0.980 176 D CB 0.549 41.288 40.800 -0.103 0.000 1.106 176 D HN 0.482 nan 8.370 nan 0.000 0.493 177 R N -0.395 120.040 120.500 -0.107 0.000 2.103 177 R HA -0.176 4.164 4.340 -0.000 0.000 0.242 177 R C 2.065 178.304 176.300 -0.101 0.000 1.142 177 R CA 1.599 57.643 56.100 -0.094 0.000 0.960 177 R CB -0.278 30.002 30.300 -0.033 0.000 0.858 177 R HN 0.652 nan 8.270 nan 0.000 0.439 178 E N 0.636 120.772 120.200 -0.108 0.000 2.204 178 E HA -0.213 4.136 4.350 -0.000 0.000 0.195 178 E C 1.448 177.932 176.600 -0.192 0.000 0.990 178 E CA 1.124 57.467 56.400 -0.096 0.000 0.821 178 E CB 0.213 29.899 29.700 -0.023 0.000 0.750 178 E HN 0.437 nan 8.360 nan 0.000 0.477 179 Q N -0.634 118.959 119.800 -0.345 0.000 2.319 179 Q HA 0.126 4.466 4.340 -0.000 0.000 0.209 179 Q C 0.363 176.254 176.000 -0.183 0.000 0.884 179 Q CA -0.110 55.425 55.803 -0.446 0.000 0.938 179 Q CB 0.725 28.903 28.738 -0.933 0.000 1.098 179 Q HN -0.074 nan 8.270 nan 0.000 0.517 180 R N 2.260 122.697 120.500 -0.105 0.000 2.393 180 R HA 0.299 4.638 4.340 -0.000 0.000 0.310 180 R C -2.532 173.742 176.300 -0.044 0.000 0.968 180 R CA -2.084 53.950 56.100 -0.109 0.000 0.867 180 R CB 1.045 31.104 30.300 -0.403 0.000 1.124 180 R HN -0.106 nan 8.270 nan 0.000 0.450 181 P HA 0.049 nan 4.420 nan 0.000 0.275 181 P C -0.554 176.908 177.300 0.270 0.000 1.228 181 P CA -0.115 63.068 63.100 0.138 0.000 0.786 181 P CB 0.776 32.565 31.700 0.148 0.000 0.927 182 L N 2.754 124.112 121.223 0.224 0.000 2.416 182 L HA 0.143 4.483 4.340 -0.000 0.000 0.272 182 L C 1.743 178.786 176.870 0.288 0.000 1.161 182 L CA -0.162 54.883 54.840 0.343 0.000 0.845 182 L CB 0.209 42.522 42.059 0.422 0.000 1.119 182 L HN 0.375 nan 8.230 nan 0.000 0.464 183 L N 3.210 124.633 121.223 0.335 0.000 2.575 183 L HA 0.218 4.558 4.340 -0.000 0.000 0.228 183 L C -0.261 176.781 176.870 0.287 0.000 1.075 183 L CA 0.160 55.083 54.840 0.139 0.000 0.867 183 L CB 0.827 42.760 42.059 -0.210 0.000 1.097 183 L HN 0.322 nan 8.230 nan 0.000 0.485 184 V N 1.130 121.219 119.914 0.292 0.000 2.531 184 V HA 0.237 4.357 4.120 -0.000 0.000 0.301 184 V C -0.400 175.781 176.094 0.145 0.000 1.034 184 V CA -1.042 61.365 62.300 0.179 0.000 0.865 184 V CB 1.749 33.631 31.823 0.099 0.000 0.995 184 V HN 0.162 nan 8.190 nan 0.000 0.424 185 K N 2.741 123.106 120.400 -0.059 0.000 2.185 185 K HA 0.390 4.710 4.320 -0.000 0.000 0.271 185 K C -0.239 176.328 176.600 -0.054 0.000 1.013 185 K CA -0.572 55.630 56.287 -0.140 0.000 0.943 185 K CB 0.506 32.749 32.500 -0.429 0.000 0.998 185 K HN 0.643 nan 8.250 nan 0.000 0.468 186 D N 1.318 121.706 120.400 -0.019 0.000 2.701 186 D HA -0.170 4.469 4.640 -0.000 0.000 0.235 186 D C -0.756 175.549 176.300 0.009 0.000 1.155 186 D CA 1.401 55.398 54.000 -0.005 0.000 0.649 186 D CB -0.662 40.122 40.800 -0.027 0.000 1.050 186 D HN 0.730 nan 8.370 nan 0.000 0.425 187 D N -1.497 118.921 120.400 0.030 0.000 2.881 187 D HA 0.321 4.961 4.640 -0.000 0.000 0.238 187 D C 0.903 177.238 176.300 0.058 0.000 1.368 187 D CA 0.211 54.233 54.000 0.035 0.000 0.871 187 D CB 0.218 41.033 40.800 0.026 0.000 1.516 187 D HN 0.011 nan 8.370 nan 0.000 0.544 188 A N 1.867 124.722 122.820 0.059 0.000 1.933 188 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 188 A C 1.635 179.266 177.584 0.078 0.000 1.175 188 A CA 1.441 53.522 52.037 0.074 0.000 0.628 188 A CB -0.003 19.032 19.000 0.059 0.000 0.814 188 A HN 0.455 nan 8.150 nan 0.000 0.444 189 D N 0.019 120.455 120.400 0.060 0.000 2.183 189 D HA 0.001 4.641 4.640 -0.000 0.000 0.203 189 D C 2.198 178.537 176.300 0.065 0.000 0.969 189 D CA 1.297 55.332 54.000 0.059 0.000 0.842 189 D CB -0.306 40.519 40.800 0.043 0.000 0.957 189 D HN 0.453 nan 8.370 nan 0.000 0.484 190 A N 1.168 124.023 122.820 0.059 0.000 1.898 190 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 190 A C 1.972 179.602 177.584 0.077 0.000 1.181 190 A CA 1.866 53.935 52.037 0.053 0.000 0.620 190 A CB -0.532 18.491 19.000 0.039 0.000 0.819 190 A HN 0.130 nan 8.150 nan 0.000 0.442 191 D N -0.198 120.271 120.400 0.114 0.000 2.097 191 D HA -0.166 4.473 4.640 -0.000 0.000 0.195 191 D C 1.304 177.767 176.300 0.271 0.000 0.989 191 D CA 1.591 55.707 54.000 0.192 0.000 0.827 191 D CB -0.146 40.793 40.800 0.232 0.000 0.966 191 D HN 0.335 nan 8.370 nan 0.000 0.456 192 D N -0.261 120.264 120.400 0.209 0.000 2.104 192 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 192 D C 1.990 178.402 176.300 0.187 0.000 0.994 192 D CA 1.556 55.679 54.000 0.206 0.000 0.830 192 D CB -0.602 40.274 40.800 0.126 0.000 0.959 192 D HN 0.332 nan 8.370 nan 0.000 0.452 193 A N 0.537 123.428 122.820 0.117 0.000 1.933 193 A HA -0.200 4.119 4.320 -0.000 0.000 0.218 193 A C 2.135 179.751 177.584 0.053 0.000 1.175 193 A CA 1.928 54.012 52.037 0.077 0.000 0.628 193 A CB -0.486 18.541 19.000 0.045 0.000 0.814 193 A HN 0.184 nan 8.150 nan 0.000 0.444 194 E N -0.877 119.336 120.200 0.022 0.000 2.047 194 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 194 E C 1.674 178.185 176.600 -0.148 0.000 0.987 194 E CA 1.451 57.791 56.400 -0.100 0.000 0.799 194 E CB -0.475 29.120 29.700 -0.176 0.000 0.752 194 E HN 0.711 nan 8.360 nan 0.000 0.449 195 W N 0.876 122.143 121.300 -0.056 0.000 2.358 195 W HA -0.122 4.537 4.660 -0.000 0.000 0.303 195 W C 2.180 178.694 176.519 -0.007 0.000 1.208 195 W CA 1.372 58.650 57.345 -0.110 0.000 1.274 195 W CB -0.494 28.942 29.460 -0.040 0.000 1.138 195 W HN 0.252 nan 8.180 nan 0.000 0.515 196 D N 0.028 120.605 120.400 0.296 0.000 2.123 196 D HA -0.234 4.406 4.640 -0.000 0.000 0.196 196 D C 2.164 178.538 176.300 0.123 0.000 0.992 196 D CA 1.624 55.758 54.000 0.223 0.000 0.833 196 D CB -0.212 40.675 40.800 0.145 0.000 0.954 196 D HN -0.007 nan 8.370 nan 0.000 0.455 197 R N -0.329 120.194 120.500 0.038 0.000 2.081 197 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 197 R C 2.378 178.638 176.300 -0.067 0.000 1.131 197 R CA 1.095 57.182 56.100 -0.023 0.000 0.960 197 R CB -0.271 29.995 30.300 -0.057 0.000 0.856 197 R HN 0.273 nan 8.270 nan 0.000 0.436 198 L N -0.564 120.587 121.223 -0.120 0.000 2.044 198 L HA -0.138 4.201 4.340 -0.000 0.000 0.205 198 L C 2.313 179.117 176.870 -0.110 0.000 1.075 198 L CA 1.019 55.732 54.840 -0.212 0.000 0.747 198 L CB -0.589 41.233 42.059 -0.395 0.000 0.903 198 L HN 0.176 nan 8.230 nan 0.000 0.435 199 Y N 0.469 120.772 120.300 0.005 0.000 2.165 199 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 199 Y C 2.875 178.754 175.900 -0.035 0.000 1.155 199 Y CA 1.673 59.783 58.100 0.017 0.000 1.164 199 Y CB -1.189 37.313 38.460 0.071 0.000 0.978 199 Y HN 0.144 nan 8.280 nan 0.000 0.513 200 T N -0.397 114.230 114.554 0.121 0.000 2.788 200 T HA -0.202 4.147 4.350 -0.000 0.000 0.268 200 T C 1.960 176.627 174.700 -0.055 0.000 1.044 200 T CA 1.645 63.767 62.100 0.036 0.000 1.139 200 T CB -0.142 68.740 68.868 0.023 0.000 0.867 200 T HN 0.245 nan 8.240 nan 0.000 0.454 201 K N 0.859 121.168 120.400 -0.151 0.000 2.031 201 K HA 0.061 4.381 4.320 -0.000 0.000 0.205 201 K C 2.576 178.850 176.600 -0.544 0.000 1.049 201 K CA 1.008 57.078 56.287 -0.362 0.000 0.939 201 K CB -0.305 31.935 32.500 -0.433 0.000 0.717 201 K HN 0.245 nan 8.250 nan 0.000 0.438 202 A N 1.429 124.037 122.820 -0.354 0.000 1.917 202 A HA -0.239 4.080 4.320 -0.000 0.000 0.219 202 A C 1.831 179.426 177.584 0.018 0.000 1.182 202 A CA 1.955 53.866 52.037 -0.209 0.000 0.633 202 A CB -0.569 18.422 19.000 -0.015 0.000 0.819 202 A HN 0.483 nan 8.150 nan 0.000 0.448 203 E N -0.075 120.171 120.200 0.075 0.000 2.153 203 E HA -0.155 4.194 4.350 -0.000 0.000 0.194 203 E C 2.359 179.041 176.600 0.137 0.000 0.988 203 E CA 1.348 57.836 56.400 0.148 0.000 0.811 203 E CB -0.178 29.581 29.700 0.098 0.000 0.746 203 E HN 0.807 nan 8.360 nan 0.000 0.466 204 S N 0.132 115.862 115.700 0.049 0.000 2.368 204 S HA -0.176 4.293 4.470 -0.000 0.000 0.224 204 S C 1.946 176.687 174.600 0.235 0.000 1.029 204 S CA 0.692 58.950 58.200 0.096 0.000 0.988 204 S CB -0.411 62.810 63.200 0.035 0.000 0.838 204 S HN 0.207 nan 8.310 nan 0.000 0.462 205 Y N 0.655 120.967 120.300 0.021 0.000 2.165 205 Y HA 0.077 4.627 4.550 -0.000 0.000 0.286 205 Y C 2.079 178.010 175.900 0.052 0.000 1.155 205 Y CA 0.116 58.196 58.100 -0.034 0.000 1.164 205 Y CB -1.165 37.187 38.460 -0.179 0.000 0.978 205 Y HN 0.320 nan 8.280 nan 0.000 0.513 206 F N 0.169 120.282 119.950 0.272 0.000 2.710 206 F HA 0.026 4.553 4.527 -0.000 0.000 0.298 206 F C 0.855 176.774 175.800 0.199 0.000 1.137 206 F CA 0.163 58.315 58.000 0.253 0.000 1.444 206 F CB -0.351 38.822 39.000 0.289 0.000 1.111 206 F HN -0.006 nan 8.300 nan 0.000 0.580 207 Q N 0.492 120.483 119.800 0.319 0.000 2.463 207 Q HA -0.194 4.145 4.340 -0.000 0.000 0.299 207 Q C 0.048 176.139 176.000 0.153 0.000 1.353 207 Q CA 0.792 56.710 55.803 0.192 0.000 0.828 207 Q CB -2.672 26.155 28.738 0.149 0.000 1.157 207 Q HN 0.223 nan 8.270 nan 0.000 0.436 208 T N -0.057 114.601 114.554 0.174 0.000 2.916 208 T HA 0.471 4.821 4.350 -0.000 0.000 0.303 208 T C 0.793 175.529 174.700 0.060 0.000 1.025 208 T CA 0.532 62.699 62.100 0.111 0.000 1.142 208 T CB 1.381 70.323 68.868 0.124 0.000 0.947 208 T HN 0.499 nan 8.240 nan 0.000 0.544 209 G N 0.603 109.422 108.800 0.032 0.000 2.682 209 G HA2 0.549 4.509 3.960 -0.000 0.000 0.290 209 G HA3 0.549 4.509 3.960 -0.000 0.000 0.290 209 G C -0.012 174.899 174.900 0.018 0.000 1.425 209 G CA -0.554 44.555 45.100 0.015 0.000 0.807 209 G HN 0.630 nan 8.290 nan 0.000 0.482 210 T N -2.447 112.118 114.554 0.018 0.000 3.339 210 T HA 0.280 4.629 4.350 -0.000 0.000 0.292 210 T C 0.097 174.815 174.700 0.030 0.000 1.012 210 T CA 0.507 62.627 62.100 0.034 0.000 0.937 210 T CB 0.395 69.289 68.868 0.042 0.000 1.164 210 T HN 0.493 nan 8.240 nan 0.000 0.509 211 D N 0.324 120.723 120.400 -0.002 0.000 2.500 211 D HA 0.051 4.690 4.640 -0.000 0.000 0.218 211 D C 1.400 177.639 176.300 -0.101 0.000 1.140 211 D CA -0.020 53.958 54.000 -0.036 0.000 0.830 211 D CB -0.130 40.642 40.800 -0.048 0.000 1.055 211 D HN 0.274 nan 8.370 nan 0.000 0.512 212 Q N -0.379 119.353 119.800 -0.113 0.000 2.364 212 Q HA 0.132 4.472 4.340 -0.000 0.000 0.207 212 Q C 0.314 175.947 176.000 -0.611 0.000 0.970 212 Q CA 0.910 56.513 55.803 -0.334 0.000 0.888 212 Q CB -0.279 28.235 28.738 -0.374 0.000 0.951 212 Q HN 0.301 nan 8.270 nan 0.000 0.469 213 F N -0.167 119.625 119.950 -0.263 0.000 2.698 213 F HA 0.224 4.751 4.527 -0.000 0.000 0.304 213 F C 1.267 176.885 175.800 -0.303 0.000 1.108 213 F CA -0.535 57.269 58.000 -0.327 0.000 1.263 213 F CB 0.355 39.075 39.000 -0.466 0.000 1.013 213 F HN -0.006 nan 8.300 nan 0.000 0.532 214 K N 0.445 120.774 120.400 -0.119 0.000 2.209 214 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 214 K C 0.712 177.242 176.600 -0.117 0.000 1.048 214 K CA 1.668 57.930 56.287 -0.042 0.000 0.940 214 K CB -0.206 32.246 32.500 -0.080 0.000 0.729 214 K HN 0.328 nan 8.250 nan 0.000 0.451 215 E N 1.637 121.654 120.200 -0.304 0.000 2.496 215 E HA 0.056 4.406 4.350 -0.000 0.000 0.200 215 E C -0.740 175.732 176.600 -0.213 0.000 1.016 215 E CA -0.346 55.660 56.400 -0.656 0.000 0.962 215 E CB 0.901 30.103 29.700 -0.831 0.000 1.071 215 E HN 0.211 nan 8.360 nan 0.000 0.457 216 S N 0.647 116.367 115.700 0.033 0.000 2.499 216 S HA 0.175 4.645 4.470 -0.000 0.000 0.275 216 S C 1.285 175.980 174.600 0.159 0.000 1.257 216 S CA -0.492 57.778 58.200 0.117 0.000 1.050 216 S CB 0.462 63.779 63.200 0.194 0.000 0.937 216 S HN 0.224 nan 8.310 nan 0.000 0.490 217 I N 4.841 125.383 120.570 -0.046 0.000 2.163 217 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 217 I C 2.745 178.695 176.117 -0.279 0.000 1.085 217 I CA 1.329 62.356 61.300 -0.456 0.000 1.347 217 I CB -0.275 37.226 38.000 -0.831 0.000 1.044 217 I HN 0.706 nan 8.210 nan 0.000 0.408 218 R N -0.496 119.932 120.500 -0.120 0.000 2.081 218 R HA -0.226 4.114 4.340 -0.000 0.000 0.235 218 R C 2.386 178.714 176.300 0.046 0.000 1.131 218 R CA 1.713 57.790 56.100 -0.039 0.000 0.960 218 R CB -0.622 29.667 30.300 -0.019 0.000 0.856 218 R HN 0.432 nan 8.270 nan 0.000 0.436 219 H N 1.179 120.263 119.070 0.024 0.000 2.290 219 H HA -0.057 4.498 4.556 -0.000 0.000 0.298 219 H C 1.772 177.165 175.328 0.109 0.000 1.087 219 H CA 1.929 58.012 56.048 0.058 0.000 1.291 219 H CB -0.132 29.692 29.762 0.103 0.000 1.369 219 H HN 0.121 nan 8.280 nan 0.000 0.492 220 N N 0.056 118.836 118.700 0.134 0.000 2.244 220 N HA -0.127 4.612 4.740 -0.000 0.000 0.183 220 N C 2.062 177.703 175.510 0.217 0.000 1.016 220 N CA 1.010 54.183 53.050 0.204 0.000 0.866 220 N CB -0.228 38.589 38.487 0.551 0.000 0.980 220 N HN 0.312 nan 8.380 nan 0.000 0.430 221 L N 1.263 122.624 121.223 0.230 0.000 2.012 221 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 221 L C 2.128 179.047 176.870 0.083 0.000 1.073 221 L CA 1.385 56.359 54.840 0.223 0.000 0.748 221 L CB -0.481 41.670 42.059 0.153 0.000 0.891 221 L HN -0.120 nan 8.230 nan 0.000 0.431 222 V N -0.859 119.057 119.914 0.003 0.000 2.379 222 V HA -0.216 3.903 4.120 -0.000 0.000 0.245 222 V C 2.377 178.401 176.094 -0.116 0.000 1.044 222 V CA 1.479 63.752 62.300 -0.044 0.000 1.036 222 V CB -0.531 31.247 31.823 -0.076 0.000 0.664 222 V HN 0.493 nan 8.190 nan 0.000 0.453 223 L N 1.072 122.192 121.223 -0.172 0.000 1.994 223 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 223 L C 2.210 179.017 176.870 -0.104 0.000 1.071 223 L CA 2.063 56.793 54.840 -0.183 0.000 0.745 223 L CB -1.005 40.894 42.059 -0.266 0.000 0.892 223 L HN 0.308 nan 8.230 nan 0.000 0.431 224 N N -0.071 118.612 118.700 -0.029 0.000 2.120 224 N HA -0.214 4.526 4.740 -0.000 0.000 0.188 224 N C 1.837 177.330 175.510 -0.027 0.000 1.024 224 N CA 1.405 54.457 53.050 0.003 0.000 0.852 224 N CB -0.331 38.186 38.487 0.050 0.000 1.003 224 N HN 0.315 nan 8.380 nan 0.000 0.424 225 K N 1.351 121.731 120.400 -0.033 0.000 2.026 225 K HA 0.062 4.382 4.320 -0.000 0.000 0.208 225 K C 1.952 178.501 176.600 -0.086 0.000 1.048 225 K CA 0.890 57.154 56.287 -0.038 0.000 0.929 225 K CB -0.421 32.075 32.500 -0.006 0.000 0.713 225 K HN 0.106 nan 8.250 nan 0.000 0.439 226 L N 0.156 121.254 121.223 -0.209 0.000 2.141 226 L HA -0.142 4.197 4.340 -0.000 0.000 0.209 226 L C 2.235 178.890 176.870 -0.359 0.000 1.094 226 L CA 1.511 56.097 54.840 -0.422 0.000 0.763 226 L CB -0.722 40.694 42.059 -1.072 0.000 0.908 226 L HN 0.254 nan 8.230 nan 0.000 0.437 227 T N -0.720 113.695 114.554 -0.231 0.000 2.684 227 T HA -0.265 4.084 4.350 -0.000 0.000 0.267 227 T C 1.785 176.531 174.700 0.077 0.000 1.036 227 T CA 1.797 63.922 62.100 0.043 0.000 1.148 227 T CB -0.116 68.791 68.868 0.065 0.000 0.863 227 T HN 0.408 nan 8.240 nan 0.000 0.436 228 E N 0.663 120.873 120.200 0.016 0.000 2.051 228 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 228 E C 2.201 178.801 176.600 -0.001 0.000 0.991 228 E CA 1.017 57.422 56.400 0.009 0.000 0.799 228 E CB 0.021 29.711 29.700 -0.016 0.000 0.748 228 E HN 0.355 nan 8.360 nan 0.000 0.449 229 E N -0.380 119.803 120.200 -0.028 0.000 2.160 229 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 229 E C 0.838 177.294 176.600 -0.241 0.000 0.991 229 E CA 1.069 57.383 56.400 -0.142 0.000 0.810 229 E CB -0.053 29.540 29.700 -0.179 0.000 0.742 229 E HN 0.499 nan 8.360 nan 0.000 0.466 230 Y N 0.319 120.652 120.300 0.055 0.000 2.720 230 Y HA 0.192 4.742 4.550 -0.000 0.000 0.277 230 Y C 0.417 176.383 175.900 0.109 0.000 1.144 230 Y CA -0.446 57.728 58.100 0.122 0.000 1.221 230 Y CB 0.408 39.038 38.460 0.283 0.000 1.163 230 Y HN -0.331 nan 8.280 nan 0.000 0.537 231 K N 0.773 121.265 120.400 0.153 0.000 2.504 231 K HA -0.005 4.315 4.320 -0.000 0.000 0.278 231 K C 1.189 177.849 176.600 0.099 0.000 1.025 231 K CA 1.360 57.713 56.287 0.111 0.000 1.093 231 K CB 0.107 32.640 32.500 0.054 0.000 0.873 231 K HN 0.731 nan 8.250 nan 0.000 0.483 232 G N 3.163 112.023 108.800 0.100 0.000 2.175 232 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.265 232 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.265 232 G C 0.656 175.613 174.900 0.095 0.000 0.979 232 G CA 0.937 46.086 45.100 0.081 0.000 0.663 232 G HN 0.732 nan 8.290 nan 0.000 0.533 233 Q N -1.604 118.280 119.800 0.141 0.000 2.534 233 Q HA 0.280 4.620 4.340 -0.000 0.000 0.252 233 Q C 1.133 177.225 176.000 0.153 0.000 0.850 233 Q CA 0.188 56.086 55.803 0.158 0.000 0.974 233 Q CB 0.939 29.804 28.738 0.212 0.000 1.205 233 Q HN 0.481 nan 8.270 nan 0.000 0.593 234 R N 0.513 121.114 120.500 0.169 0.000 2.626 234 R HA 0.345 4.684 4.340 -0.000 0.000 0.274 234 R C -1.731 174.589 176.300 0.033 0.000 1.031 234 R CA -0.723 55.380 56.100 0.005 0.000 0.898 234 R CB 1.750 31.851 30.300 -0.332 0.000 1.222 234 R HN -0.037 nan 8.270 nan 0.000 0.455 235 D N 1.704 122.055 120.400 -0.081 0.000 2.177 235 D HA 0.356 4.996 4.640 -0.000 0.000 0.247 235 D C -0.696 175.443 176.300 -0.268 0.000 1.063 235 D CA 0.242 54.222 54.000 -0.033 0.000 0.867 235 D CB 0.961 41.754 40.800 -0.012 0.000 1.168 235 D HN 0.135 nan 8.370 nan 0.000 0.445 236 F N 0.829 120.780 119.950 0.002 0.000 2.522 236 F HA 0.404 4.931 4.527 -0.000 0.000 0.324 236 F C 0.638 176.449 175.800 0.018 0.000 1.077 236 F CA -0.655 57.339 58.000 -0.009 0.000 0.944 236 F CB 1.697 40.685 39.000 -0.020 0.000 1.175 236 F HN 0.210 nan 8.300 nan 0.000 0.468 237 Q N -0.031 119.877 119.800 0.180 0.000 2.685 237 Q HA 0.332 4.672 4.340 -0.000 0.000 0.301 237 Q C -1.525 174.583 176.000 0.180 0.000 0.924 237 Q CA -1.301 54.593 55.803 0.151 0.000 0.755 237 Q CB 1.699 30.491 28.738 0.091 0.000 1.470 237 Q HN 0.611 nan 8.270 nan 0.000 0.434 238 Q N 0.903 120.831 119.800 0.213 0.000 2.330 238 Q HA 0.189 4.529 4.340 -0.000 0.000 0.279 238 Q C -0.490 175.574 176.000 0.108 0.000 1.024 238 Q CA -0.089 55.846 55.803 0.220 0.000 0.900 238 Q CB 0.479 29.310 28.738 0.156 0.000 1.221 238 Q HN 0.569 nan 8.270 nan 0.000 0.396 239 I N 6.782 127.394 120.570 0.070 0.000 2.826 239 I HA -0.070 4.100 4.170 -0.000 0.000 0.295 239 I C -1.955 174.179 176.117 0.028 0.000 1.213 239 I CA -1.323 59.996 61.300 0.031 0.000 1.436 239 I CB 0.173 38.160 38.000 -0.022 0.000 1.348 239 I HN 0.459 nan 8.210 nan 0.000 0.570 240 P HA 0.250 nan 4.420 nan 0.000 0.276 240 P C -0.929 176.366 177.300 -0.008 0.000 1.253 240 P CA 0.081 63.186 63.100 0.007 0.000 0.766 240 P CB 0.479 32.171 31.700 -0.013 0.000 0.845 241 L N 2.383 123.612 121.223 0.010 0.000 2.365 241 L HA 0.641 4.981 4.340 -0.000 0.000 0.273 241 L C 0.363 177.232 176.870 -0.003 0.000 1.000 241 L CA -1.167 53.678 54.840 0.008 0.000 0.819 241 L CB 2.108 44.243 42.059 0.128 0.000 1.284 241 L HN 0.247 nan 8.230 nan 0.000 0.418 242 A N 3.114 125.896 122.820 -0.063 0.000 2.666 242 A HA 0.764 5.084 4.320 -0.000 0.000 0.312 242 A C 0.021 177.636 177.584 0.051 0.000 1.471 242 A CA 0.088 52.133 52.037 0.014 0.000 1.134 242 A CB -0.330 18.640 19.000 -0.050 0.000 1.129 242 A HN 0.797 nan 8.150 nan 0.000 0.539 243 A N 1.768 124.582 122.820 -0.009 0.000 2.590 243 A HA 0.759 5.079 4.320 -0.000 0.000 0.294 243 A C -0.528 176.943 177.584 -0.188 0.000 1.046 243 A CA -0.486 51.446 52.037 -0.176 0.000 0.684 243 A CB 0.774 19.490 19.000 -0.474 0.000 1.279 243 A HN 0.674 nan 8.150 nan 0.000 0.415 244 T N 1.233 115.644 114.554 -0.238 0.000 2.879 244 T HA 0.514 4.864 4.350 -0.000 0.000 0.290 244 T C -0.133 174.417 174.700 -0.251 0.000 0.993 244 T CA -0.466 61.523 62.100 -0.185 0.000 0.975 244 T CB 1.340 70.157 68.868 -0.085 0.000 0.981 244 T HN 0.760 nan 8.240 nan 0.000 0.439 245 R N 2.117 122.455 120.500 -0.270 0.000 2.389 245 R HA 0.289 4.628 4.340 -0.000 0.000 0.295 245 R C 0.664 176.879 176.300 -0.142 0.000 1.075 245 R CA -0.395 55.541 56.100 -0.274 0.000 1.005 245 R CB 0.406 30.506 30.300 -0.333 0.000 0.987 245 R HN 0.396 nan 8.270 nan 0.000 0.452 246 R N 1.091 121.557 120.500 -0.058 0.000 2.279 246 R HA 0.151 4.491 4.340 -0.000 0.000 0.195 246 R C 0.096 176.370 176.300 -0.044 0.000 0.905 246 R CA 0.577 56.657 56.100 -0.032 0.000 1.044 246 R CB 0.407 30.704 30.300 -0.006 0.000 1.056 246 R HN 0.765 nan 8.270 nan 0.000 0.535 247 S N -1.404 114.282 115.700 -0.023 0.000 2.636 247 S HA 0.372 4.842 4.470 -0.000 0.000 0.268 247 S C -2.645 171.924 174.600 -0.052 0.000 1.159 247 S CA -1.033 57.147 58.200 -0.032 0.000 0.815 247 S CB 2.123 65.320 63.200 -0.004 0.000 1.130 247 S HN -0.263 nan 8.310 nan 0.000 0.471 248 P HA 0.016 nan 4.420 nan 0.000 0.223 248 P C 0.987 178.260 177.300 -0.045 0.000 1.144 248 P CA 1.750 64.810 63.100 -0.066 0.000 0.783 248 P CB -0.197 31.481 31.700 -0.036 0.000 0.771 249 T N -7.005 107.553 114.554 0.007 0.000 3.091 249 T HA 0.288 4.638 4.350 -0.000 0.000 0.277 249 T C -0.253 174.499 174.700 0.087 0.000 0.996 249 T CA -0.347 61.776 62.100 0.038 0.000 0.897 249 T CB -0.528 68.380 68.868 0.067 0.000 1.109 249 T HN -0.136 nan 8.240 nan 0.000 0.534 250 F N 1.685 121.575 119.950 -0.099 0.000 2.562 250 F HA 0.664 5.191 4.527 -0.000 0.000 0.319 250 F C -1.475 174.195 175.800 -0.217 0.000 1.154 250 F CA -1.198 56.738 58.000 -0.107 0.000 0.931 250 F CB 1.975 40.929 39.000 -0.077 0.000 1.198 250 F HN -0.102 nan 8.300 nan 0.000 0.444 251 V N 5.258 124.834 119.914 -0.564 0.000 2.417 251 V HA 0.295 4.415 4.120 -0.000 0.000 0.291 251 V C -0.372 175.239 176.094 -0.804 0.000 1.024 251 V CA -0.842 61.040 62.300 -0.697 0.000 0.861 251 V CB 1.667 32.848 31.823 -1.071 0.000 0.985 251 V HN 0.717 nan 8.190 nan 0.000 0.436 252 E N 4.422 124.400 120.200 -0.369 0.000 2.001 252 E HA 0.182 4.532 4.350 -0.000 0.000 0.279 252 E C -1.149 175.277 176.600 -0.290 0.000 1.045 252 E CA -0.549 55.781 56.400 -0.116 0.000 0.833 252 E CB 0.490 30.265 29.700 0.124 0.000 1.077 252 E HN 0.633 nan 8.360 nan 0.000 0.397 253 W N 2.921 124.148 121.300 -0.121 0.000 2.218 253 W HA 0.159 4.819 4.660 -0.000 0.000 0.326 253 W C 0.571 177.131 176.519 0.068 0.000 1.276 253 W CA -0.549 56.688 57.345 -0.180 0.000 1.210 253 W CB 1.057 30.164 29.460 -0.588 0.000 1.143 253 W HN 0.336 nan 8.180 nan 0.000 0.563 254 S N 1.567 117.488 115.700 0.369 0.000 2.624 254 S HA 0.624 5.094 4.470 -0.000 0.000 0.263 254 S C 0.158 175.213 174.600 0.757 0.000 1.287 254 S CA -0.592 57.895 58.200 0.479 0.000 0.990 254 S CB 1.202 64.693 63.200 0.486 0.000 0.950 254 S HN 0.522 nan 8.310 nan 0.000 0.561 255 S N -0.371 115.718 115.700 0.648 0.000 2.800 255 S HA 0.687 5.157 4.470 -0.000 0.000 0.293 255 S C 0.847 175.666 174.600 0.366 0.000 1.209 255 S CA -0.297 58.234 58.200 0.552 0.000 0.884 255 S CB 0.443 63.883 63.200 0.400 0.000 1.244 255 S HN 0.720 nan 8.310 nan 0.000 0.540 256 A N 1.625 124.551 122.820 0.177 0.000 1.917 256 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 256 A C 2.022 179.661 177.584 0.092 0.000 1.182 256 A CA 2.196 54.290 52.037 0.094 0.000 0.633 256 A CB -1.618 17.406 19.000 0.040 0.000 0.819 256 A HN 0.854 nan 8.150 nan 0.000 0.448 257 N N -0.521 118.240 118.700 0.103 0.000 2.149 257 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 257 N C 1.569 177.108 175.510 0.048 0.000 1.019 257 N CA 2.106 55.188 53.050 0.053 0.000 0.857 257 N CB -0.259 38.271 38.487 0.073 0.000 0.997 257 N HN 0.484 nan 8.380 nan 0.000 0.426 258 T N 0.538 115.171 114.554 0.132 0.000 2.746 258 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 258 T C 2.084 176.824 174.700 0.065 0.000 1.039 258 T CA 1.275 63.459 62.100 0.139 0.000 1.142 258 T CB -0.258 68.771 68.868 0.269 0.000 0.866 258 T HN 0.063 nan 8.240 nan 0.000 0.444 259 V N -0.528 119.407 119.914 0.035 0.000 2.323 259 V HA 0.156 4.276 4.120 -0.000 0.000 0.244 259 V C 0.533 176.588 176.094 -0.065 0.000 1.041 259 V CA 0.962 63.203 62.300 -0.098 0.000 1.025 259 V CB -0.360 31.358 31.823 -0.175 0.000 0.656 259 V HN 0.487 nan 8.190 nan 0.000 0.451 260 F N 1.005 120.828 119.950 -0.211 0.000 2.605 260 F HA 0.383 4.910 4.527 -0.000 0.000 0.320 260 F C 0.337 176.022 175.800 -0.193 0.000 1.159 260 F CA -1.589 56.258 58.000 -0.255 0.000 0.999 260 F CB 1.412 40.206 39.000 -0.342 0.000 1.258 260 F HN 0.151 nan 8.300 nan 0.000 0.464 261 D N 4.947 124.880 120.400 -0.778 0.000 2.350 261 D HA -0.097 4.542 4.640 -0.000 0.000 0.216 261 D C 1.225 177.233 176.300 -0.486 0.000 0.968 261 D CA 1.280 54.979 54.000 -0.502 0.000 0.894 261 D CB -0.039 40.526 40.800 -0.392 0.000 0.909 261 D HN 0.715 nan 8.370 nan 0.000 0.520 262 L N -2.134 118.600 121.223 -0.814 0.000 4.937 262 L HA -0.232 4.107 4.340 -0.000 0.000 0.422 262 L C -0.184 176.658 176.870 -0.047 0.000 1.059 262 L CA 0.442 55.126 54.840 -0.260 0.000 1.111 262 L CB -1.422 40.640 42.059 0.004 0.000 2.033 262 L HN 0.198 nan 8.230 nan 0.000 0.708 263 Q N 1.112 120.781 119.800 -0.219 0.000 2.332 263 Q HA 0.219 4.559 4.340 -0.000 0.000 0.263 263 Q C 0.371 176.435 176.000 0.106 0.000 0.979 263 Q CA 0.010 55.772 55.803 -0.068 0.000 0.885 263 Q CB 0.580 29.242 28.738 -0.126 0.000 1.218 263 Q HN 0.139 nan 8.270 nan 0.000 0.405 264 N N 2.103 120.850 118.700 0.077 0.000 2.454 264 N HA 0.096 4.836 4.740 -0.000 0.000 0.254 264 N C -0.236 175.321 175.510 0.079 0.000 1.228 264 N CA 0.358 53.450 53.050 0.071 0.000 0.900 264 N CB 0.632 39.067 38.487 -0.086 0.000 1.089 264 N HN 0.248 nan 8.380 nan 0.000 0.449 265 R N 1.335 121.907 120.500 0.119 0.000 2.807 265 R HA 0.496 4.836 4.340 -0.000 0.000 0.276 265 R C -2.420 173.906 176.300 0.043 0.000 0.979 265 R CA -1.663 54.493 56.100 0.093 0.000 0.928 265 R CB 1.722 32.109 30.300 0.145 0.000 1.191 265 R HN 0.378 nan 8.270 nan 0.000 0.471 266 P HA 0.077 nan 4.420 nan 0.000 0.272 266 P C -1.302 176.039 177.300 0.068 0.000 1.223 266 P CA -0.211 62.948 63.100 0.098 0.000 0.784 266 P CB 0.609 32.426 31.700 0.195 0.000 0.923 267 N N -1.212 117.522 118.700 0.056 0.000 2.972 267 N HA 0.245 4.985 4.740 -0.000 0.000 0.262 267 N C 0.516 176.042 175.510 0.026 0.000 1.478 267 N CA -0.750 52.318 53.050 0.030 0.000 0.841 267 N CB -0.593 37.899 38.487 0.008 0.000 1.512 267 N HN 0.052 nan 8.380 nan 0.000 0.548 268 T N -0.835 113.726 114.554 0.012 0.000 2.759 268 T HA -0.088 4.261 4.350 -0.000 0.000 0.269 268 T C 0.312 175.015 174.700 0.006 0.000 1.042 268 T CA 1.529 63.635 62.100 0.008 0.000 1.140 268 T CB -0.394 68.474 68.868 0.001 0.000 0.864 268 T HN 0.511 nan 8.240 nan 0.000 0.455 269 D N 0.897 121.296 120.400 -0.003 0.000 2.333 269 D HA 0.206 4.846 4.640 -0.000 0.000 0.208 269 D C 0.817 177.118 176.300 0.002 0.000 0.984 269 D CA 0.338 54.334 54.000 -0.008 0.000 0.873 269 D CB 0.247 41.032 40.800 -0.025 0.000 0.935 269 D HN 0.371 nan 8.370 nan 0.000 0.521 270 A N 1.494 124.323 122.820 0.016 0.000 3.317 270 A HA 0.307 4.626 4.320 -0.000 0.000 0.307 270 A C -1.927 175.700 177.584 0.072 0.000 1.003 270 A CA -0.851 51.208 52.037 0.037 0.000 0.882 270 A CB 0.933 19.951 19.000 0.031 0.000 1.136 270 A HN -0.151 nan 8.150 nan 0.000 0.488 271 P HA -0.089 nan 4.420 nan 0.000 0.229 271 P C 0.577 178.002 177.300 0.208 0.000 1.160 271 P CA 1.126 64.291 63.100 0.108 0.000 0.777 271 P CB 0.398 32.134 31.700 0.061 0.000 0.814 272 E N -0.509 119.812 120.200 0.201 0.000 2.481 272 E HA 0.092 4.442 4.350 -0.000 0.000 0.198 272 E C 0.296 177.063 176.600 0.279 0.000 1.027 272 E CA -0.077 56.520 56.400 0.329 0.000 0.900 272 E CB 0.294 30.105 29.700 0.184 0.000 0.993 272 E HN 0.460 nan 8.360 nan 0.000 0.482 273 E N 0.984 121.274 120.200 0.151 0.000 2.250 273 E HA 0.409 4.759 4.350 -0.000 0.000 0.269 273 E C -0.258 176.320 176.600 -0.037 0.000 1.018 273 E CA -0.449 55.985 56.400 0.057 0.000 0.873 273 E CB 1.287 31.038 29.700 0.085 0.000 1.134 273 E HN -0.110 nan 8.360 nan 0.000 0.403 274 R N 1.772 122.236 120.500 -0.060 0.000 2.500 274 R HA 0.398 4.738 4.340 -0.000 0.000 0.299 274 R C -1.635 174.723 176.300 0.095 0.000 1.038 274 R CA -0.515 55.525 56.100 -0.100 0.000 0.903 274 R CB 0.917 31.040 30.300 -0.295 0.000 1.177 274 R HN 0.390 nan 8.270 nan 0.000 0.455 275 F N 2.223 122.137 119.950 -0.060 0.000 2.604 275 F HA 0.439 4.966 4.527 -0.000 0.000 0.316 275 F C -1.714 174.007 175.800 -0.131 0.000 1.136 275 F CA -0.683 57.282 58.000 -0.058 0.000 0.989 275 F CB 1.978 41.019 39.000 0.069 0.000 1.258 275 F HN 0.367 nan 8.300 nan 0.000 0.451 276 N N 4.755 122.757 118.700 -1.163 0.000 2.346 276 N HA 0.587 5.327 4.740 -0.000 0.000 0.289 276 N C -1.989 172.455 175.510 -1.777 0.000 1.027 276 N CA -0.627 51.665 53.050 -1.264 0.000 0.864 276 N CB 2.307 40.244 38.487 -0.917 0.000 1.370 276 N HN 0.590 nan 8.380 nan 0.000 0.481 277 L N 2.613 123.015 121.223 -1.369 0.000 2.295 277 L HA 0.642 4.982 4.340 -0.000 0.000 0.285 277 L C -1.625 174.705 176.870 -0.899 0.000 1.035 277 L CA -0.234 54.075 54.840 -0.885 0.000 0.806 277 L CB 0.184 42.075 42.059 -0.280 0.000 1.214 277 L HN 0.463 nan 8.230 nan 0.000 0.426 278 F N 6.242 125.945 119.950 -0.413 0.000 2.443 278 F HA 0.526 5.053 4.527 -0.000 0.000 0.369 278 F C -2.157 173.587 175.800 -0.093 0.000 1.090 278 F CA -2.036 55.811 58.000 -0.255 0.000 1.129 278 F CB 0.737 39.550 39.000 -0.313 0.000 1.367 278 F HN 0.418 nan 8.300 nan 0.000 0.465 279 P HA 0.301 nan 4.420 nan 0.000 0.274 279 P C 0.026 177.380 177.300 0.090 0.000 1.256 279 P CA -0.159 62.982 63.100 0.068 0.000 0.795 279 P CB 0.972 32.691 31.700 0.032 0.000 1.038 280 A N -1.022 121.834 122.820 0.061 0.000 2.791 280 A HA -0.101 4.219 4.320 -0.000 0.000 0.292 280 A C -0.058 177.550 177.584 0.040 0.000 1.487 280 A CA 0.716 52.779 52.037 0.045 0.000 0.760 280 A CB -2.416 16.610 19.000 0.044 0.000 1.031 280 A HN 0.258 nan 8.150 nan 0.000 0.503 281 V N -0.256 119.695 119.914 0.063 0.000 2.443 281 V HA 0.666 4.785 4.120 -0.000 0.000 0.293 281 V C 0.591 176.680 176.094 -0.009 0.000 1.021 281 V CA -0.297 62.035 62.300 0.054 0.000 0.848 281 V CB 1.565 33.508 31.823 0.200 0.000 0.998 281 V HN 1.471 nan 8.190 nan 0.000 0.424 282 A N 4.236 127.019 122.820 -0.062 0.000 2.347 282 A HA 0.436 4.755 4.320 -0.000 0.000 0.287 282 A C 0.141 177.681 177.584 -0.075 0.000 1.199 282 A CA -0.171 51.818 52.037 -0.080 0.000 0.851 282 A CB -0.145 18.839 19.000 -0.028 0.000 1.118 282 A HN 0.868 nan 8.150 nan 0.000 0.525 283 C N 3.035 122.273 119.300 -0.104 0.000 2.394 283 C HA 0.291 4.751 4.460 -0.000 0.000 0.362 283 C C 1.406 176.357 174.990 -0.065 0.000 1.268 283 C CA -0.240 58.706 59.018 -0.119 0.000 1.828 283 C CB -0.614 27.054 27.740 -0.120 0.000 2.442 283 C HN 1.004 nan 8.230 nan 0.000 0.549 284 E N 1.323 121.517 120.200 -0.010 0.000 2.244 284 E HA 0.080 4.430 4.350 -0.000 0.000 0.196 284 E C 0.526 177.135 176.600 0.014 0.000 0.939 284 E CA 0.389 56.812 56.400 0.038 0.000 0.884 284 E CB 0.453 30.252 29.700 0.166 0.000 0.850 284 E HN 0.782 nan 8.360 nan 0.000 0.481 285 R N -0.191 120.326 120.500 0.027 0.000 2.709 285 R HA 0.403 4.742 4.340 -0.000 0.000 0.270 285 R C -0.950 175.337 176.300 -0.022 0.000 1.038 285 R CA -0.799 55.294 56.100 -0.011 0.000 0.872 285 R CB 0.932 31.215 30.300 -0.029 0.000 1.259 285 R HN -0.075 nan 8.270 nan 0.000 0.473 286 V N -0.749 119.132 119.914 -0.054 0.000 2.630 286 V HA 0.702 4.822 4.120 -0.000 0.000 0.305 286 V C -0.109 175.933 176.094 -0.087 0.000 1.046 286 V CA -0.894 61.338 62.300 -0.114 0.000 0.934 286 V CB 1.799 33.511 31.823 -0.186 0.000 1.003 286 V HN 0.509 nan 8.190 nan 0.000 0.451 287 V N 4.845 124.688 119.914 -0.118 0.000 2.370 287 V HA 0.486 4.605 4.120 -0.000 0.000 0.279 287 V C 0.514 176.577 176.094 -0.052 0.000 1.029 287 V CA -0.492 61.763 62.300 -0.075 0.000 0.870 287 V CB 0.999 32.791 31.823 -0.053 0.000 0.984 287 V HN 0.942 nan 8.190 nan 0.000 0.451 288 R N 3.746 124.235 120.500 -0.018 0.000 2.410 288 R HA 0.323 4.663 4.340 -0.000 0.000 0.288 288 R C 0.290 176.622 176.300 0.054 0.000 1.051 288 R CA -0.620 55.531 56.100 0.086 0.000 1.021 288 R CB 0.702 31.034 30.300 0.054 0.000 1.032 288 R HN 0.862 nan 8.270 nan 0.000 0.481 289 N N 1.514 120.262 118.700 0.081 0.000 2.354 289 N HA -0.018 4.722 4.740 -0.000 0.000 0.246 289 N C 0.556 176.063 175.510 -0.005 0.000 1.285 289 N CA 0.157 53.220 53.050 0.023 0.000 0.925 289 N CB 0.502 38.997 38.487 0.014 0.000 1.174 289 N HN 0.587 nan 8.380 nan 0.000 0.478 290 A N 0.554 123.363 122.820 -0.019 0.000 1.972 290 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 290 A C 2.149 179.705 177.584 -0.045 0.000 1.169 290 A CA 0.924 52.944 52.037 -0.029 0.000 0.635 290 A CB -0.777 18.209 19.000 -0.024 0.000 0.810 290 A HN 0.654 nan 8.150 nan 0.000 0.446 291 L N -0.664 120.523 121.223 -0.061 0.000 2.610 291 L HA -0.015 4.325 4.340 -0.000 0.000 0.232 291 L C 0.058 176.835 176.870 -0.155 0.000 1.149 291 L CA -0.062 54.725 54.840 -0.089 0.000 0.872 291 L CB -0.453 41.554 42.059 -0.087 0.000 0.992 291 L HN 0.386 nan 8.230 nan 0.000 0.447 292 N N 0.128 118.728 118.700 -0.166 0.000 2.725 292 N HA -0.193 4.547 4.740 -0.000 0.000 0.251 292 N C 0.969 175.895 175.510 -0.974 0.000 1.031 292 N CA 1.079 53.927 53.050 -0.337 0.000 0.720 292 N CB -1.116 37.311 38.487 -0.100 0.000 0.930 292 N HN 0.548 nan 8.380 nan 0.000 0.543 293 S N -2.041 113.219 115.700 -0.733 0.000 2.578 293 S HA 0.245 4.715 4.470 -0.000 0.000 0.228 293 S C 0.322 174.657 174.600 -0.442 0.000 1.022 293 S CA -0.128 57.681 58.200 -0.651 0.000 0.967 293 S CB 1.526 64.566 63.200 -0.268 0.000 0.914 293 S HN 0.418 nan 8.310 nan 0.000 0.515 294 E N 0.202 120.279 120.200 -0.204 0.000 2.375 294 E HA 0.426 4.776 4.350 -0.000 0.000 0.280 294 E C -1.665 175.140 176.600 0.342 0.000 0.972 294 E CA -0.882 55.628 56.400 0.184 0.000 0.782 294 E CB 1.284 31.055 29.700 0.119 0.000 1.229 294 E HN 0.084 nan 8.360 nan 0.000 0.439 295 I N 3.276 124.012 120.570 0.277 0.000 2.428 295 I HA 0.139 4.309 4.170 -0.000 0.000 0.289 295 I C 0.892 176.968 176.117 -0.067 0.000 1.019 295 I CA 0.071 61.351 61.300 -0.035 0.000 1.351 295 I CB 1.263 38.986 38.000 -0.462 0.000 1.412 295 I HN 0.693 nan 8.210 nan 0.000 0.513 296 E N 2.970 123.117 120.200 -0.087 0.000 2.389 296 E HA 0.092 4.442 4.350 -0.000 0.000 0.199 296 E C 0.192 176.829 176.600 0.061 0.000 0.978 296 E CA 0.352 56.770 56.400 0.031 0.000 0.912 296 E CB 0.593 30.315 29.700 0.038 0.000 0.907 296 E HN 0.727 nan 8.360 nan 0.000 0.494 297 S N -0.451 115.195 115.700 -0.089 0.000 2.627 297 S HA 0.475 4.945 4.470 -0.000 0.000 0.268 297 S C -1.566 172.997 174.600 -0.061 0.000 1.130 297 S CA -1.055 57.180 58.200 0.058 0.000 0.819 297 S CB 1.215 64.472 63.200 0.094 0.000 1.100 297 S HN 0.007 nan 8.310 nan 0.000 0.465 298 L N 2.037 123.332 121.223 0.121 0.000 2.325 298 L HA 0.643 4.983 4.340 -0.000 0.000 0.281 298 L C -0.767 176.113 176.870 0.017 0.000 1.004 298 L CA -0.179 54.690 54.840 0.048 0.000 0.823 298 L CB 1.114 43.234 42.059 0.102 0.000 1.236 298 L HN 1.007 nan 8.230 nan 0.000 0.415 299 H N 5.449 124.474 119.070 -0.074 0.000 2.668 299 H HA 0.584 5.140 4.556 -0.000 0.000 0.303 299 H C -0.469 174.802 175.328 -0.094 0.000 1.074 299 H CA -0.162 55.847 56.048 -0.066 0.000 1.406 299 H CB 0.580 30.308 29.762 -0.058 0.000 1.442 299 H HN 0.649 nan 8.280 nan 0.000 0.482 300 I N 1.720 121.997 120.570 -0.490 0.000 2.846 300 I HA 0.427 4.597 4.170 -0.000 0.000 0.307 300 I C -1.128 174.844 176.117 -0.241 0.000 1.053 300 I CA -0.990 60.102 61.300 -0.346 0.000 1.050 300 I CB 2.483 40.220 38.000 -0.438 0.000 1.239 300 I HN 0.658 nan 8.210 nan 0.000 0.439 301 H N 3.467 122.425 119.070 -0.185 0.000 2.906 301 H HA 0.226 4.782 4.556 -0.000 0.000 0.324 301 H C -1.452 173.876 175.328 0.000 0.000 0.973 301 H CA -0.721 55.275 56.048 -0.088 0.000 1.321 301 H CB 1.438 31.172 29.762 -0.047 0.000 1.535 301 H HN 0.776 nan 8.280 nan 0.000 0.518 302 D N 5.514 125.976 120.400 0.103 0.000 2.358 302 D HA -0.006 4.633 4.640 -0.000 0.000 0.258 302 D C 1.080 177.286 176.300 -0.156 0.000 1.223 302 D CA -0.025 53.994 54.000 0.031 0.000 0.886 302 D CB 1.034 41.948 40.800 0.191 0.000 1.120 302 D HN 0.682 nan 8.370 nan 0.000 0.482 303 L N 4.157 125.267 121.223 -0.189 0.000 2.395 303 L HA -0.087 4.253 4.340 -0.000 0.000 0.218 303 L C 1.780 178.604 176.870 -0.076 0.000 1.130 303 L CA 0.064 54.767 54.840 -0.228 0.000 0.826 303 L CB -0.036 41.957 42.059 -0.110 0.000 0.941 303 L HN 0.499 nan 8.230 nan 0.000 0.451 304 I N -0.487 120.074 120.570 -0.016 0.000 2.368 304 I HA -0.126 4.044 4.170 -0.000 0.000 0.238 304 I C 2.754 178.891 176.117 0.034 0.000 1.076 304 I CA 1.594 62.906 61.300 0.019 0.000 1.397 304 I CB -1.288 36.735 38.000 0.037 0.000 1.141 304 I HN 0.228 nan 8.210 nan 0.000 0.430 305 S N 0.663 116.397 115.700 0.057 0.000 2.428 305 S HA 0.036 4.505 4.470 -0.000 0.000 0.230 305 S C 1.880 176.523 174.600 0.072 0.000 1.014 305 S CA 0.966 59.209 58.200 0.072 0.000 0.957 305 S CB -0.316 62.950 63.200 0.110 0.000 0.784 305 S HN 0.655 nan 8.310 nan 0.000 0.499 306 G N 1.059 109.912 108.800 0.087 0.000 2.179 306 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.260 306 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.260 306 G C -0.351 174.650 174.900 0.168 0.000 0.977 306 G CA 0.221 45.422 45.100 0.169 0.000 0.641 306 G HN 0.579 nan 8.290 nan 0.000 0.533 307 D N 0.531 120.981 120.400 0.084 0.000 2.399 307 D HA 0.491 5.130 4.640 -0.000 0.000 0.241 307 D C 1.020 177.223 176.300 -0.163 0.000 1.133 307 D CA 0.267 54.193 54.000 -0.123 0.000 0.890 307 D CB 0.556 41.218 40.800 -0.230 0.000 1.201 307 D HN 0.445 nan 8.370 nan 0.000 0.432 308 R N 0.900 121.135 120.500 -0.441 0.000 2.637 308 R HA 0.640 4.980 4.340 -0.000 0.000 0.291 308 R C -0.710 175.179 176.300 -0.684 0.000 0.963 308 R CA -0.674 55.188 56.100 -0.398 0.000 0.901 308 R CB 1.335 31.467 30.300 -0.280 0.000 1.160 308 R HN 0.294 nan 8.270 nan 0.000 0.457 309 F N -0.140 119.669 119.950 -0.236 0.000 2.613 309 F HA 0.345 4.872 4.527 -0.000 0.000 0.314 309 F C 0.034 175.728 175.800 -0.177 0.000 1.075 309 F CA -1.051 56.854 58.000 -0.157 0.000 0.945 309 F CB 1.959 40.876 39.000 -0.139 0.000 1.310 309 F HN 0.143 nan 8.300 nan 0.000 0.467 310 E N 2.629 122.915 120.200 0.144 0.000 2.133 310 E HA 0.384 4.734 4.350 -0.000 0.000 0.274 310 E C -0.906 175.765 176.600 0.119 0.000 0.930 310 E CA -0.420 56.050 56.400 0.115 0.000 0.770 310 E CB 2.094 31.872 29.700 0.129 0.000 1.104 310 E HN 0.304 nan 8.360 nan 0.000 0.403 311 I N 2.799 123.422 120.570 0.089 0.000 2.359 311 I HA 0.245 4.415 4.170 -0.000 0.000 0.294 311 I C 0.572 176.818 176.117 0.216 0.000 0.987 311 I CA -0.596 60.782 61.300 0.130 0.000 1.225 311 I CB 0.922 38.960 38.000 0.064 0.000 1.366 311 I HN 0.110 nan 8.210 nan 0.000 0.466 312 K N 4.677 125.199 120.400 0.203 0.000 2.159 312 K HA 0.825 5.145 4.320 -0.000 0.000 0.266 312 K C -0.628 176.054 176.600 0.136 0.000 0.975 312 K CA -0.471 55.947 56.287 0.218 0.000 0.865 312 K CB 2.728 35.317 32.500 0.148 0.000 1.087 312 K HN 0.788 nan 8.250 nan 0.000 0.446 313 A N 1.764 124.584 122.820 0.001 0.000 2.569 313 A HA 0.355 4.674 4.320 -0.000 0.000 0.290 313 A C -0.188 177.282 177.584 -0.191 0.000 1.136 313 A CA -0.621 51.283 52.037 -0.222 0.000 0.710 313 A CB 0.984 19.626 19.000 -0.597 0.000 1.303 313 A HN 0.634 nan 8.150 nan 0.000 0.413 314 D N -0.497 119.834 120.400 -0.115 0.000 2.149 314 D HA 0.086 4.726 4.640 -0.000 0.000 0.201 314 D C 0.350 176.544 176.300 -0.175 0.000 0.972 314 D CA 1.702 55.699 54.000 -0.006 0.000 0.835 314 D CB 0.114 40.983 40.800 0.115 0.000 0.966 314 D HN 0.210 nan 8.370 nan 0.000 0.476 315 V N 0.634 120.291 119.914 -0.428 0.000 2.588 315 V HA 0.273 4.392 4.120 -0.000 0.000 0.304 315 V C -1.271 174.552 176.094 -0.452 0.000 1.042 315 V CA -0.858 61.187 62.300 -0.426 0.000 0.877 315 V CB 1.819 33.278 31.823 -0.606 0.000 0.996 315 V HN -0.051 nan 8.190 nan 0.000 0.425 316 Y N 3.006 123.291 120.300 -0.024 0.000 2.328 316 Y HA 0.676 5.226 4.550 -0.000 0.000 0.336 316 Y C -0.094 175.771 175.900 -0.059 0.000 0.960 316 Y CA -0.881 57.194 58.100 -0.043 0.000 1.134 316 Y CB 2.070 40.508 38.460 -0.037 0.000 1.166 316 Y HN 0.352 nan 8.280 nan 0.000 0.464 317 V N 5.575 125.452 119.914 -0.061 0.000 2.448 317 V HA 0.407 4.527 4.120 -0.000 0.000 0.295 317 V C -0.436 175.524 176.094 -0.224 0.000 1.025 317 V CA -0.919 61.231 62.300 -0.251 0.000 0.859 317 V CB 1.696 33.161 31.823 -0.597 0.000 0.988 317 V HN 0.591 nan 8.190 nan 0.000 0.431 318 L N 5.157 126.245 121.223 -0.226 0.000 2.276 318 L HA 0.559 4.898 4.340 -0.000 0.000 0.286 318 L C 0.337 177.100 176.870 -0.179 0.000 1.024 318 L CA -0.192 54.538 54.840 -0.184 0.000 0.826 318 L CB 1.619 43.552 42.059 -0.211 0.000 1.211 318 L HN 0.817 nan 8.230 nan 0.000 0.422 319 T N -1.692 112.791 114.554 -0.118 0.000 3.584 319 T HA 0.335 4.684 4.350 -0.000 0.000 0.259 319 T C 0.692 175.394 174.700 0.004 0.000 1.009 319 T CA -0.095 61.977 62.100 -0.046 0.000 1.103 319 T CB 0.989 69.827 68.868 -0.050 0.000 1.099 319 T HN 0.522 nan 8.240 nan 0.000 0.539 320 A N 0.840 123.669 122.820 0.016 0.000 2.278 320 A HA 0.744 5.064 4.320 -0.000 0.000 0.212 320 A C 1.425 179.080 177.584 0.118 0.000 1.213 320 A CA 0.128 52.199 52.037 0.056 0.000 0.840 320 A CB -0.850 18.179 19.000 0.048 0.000 0.866 320 A HN 1.718 nan 8.150 nan 0.000 0.489 321 G N -2.564 106.303 108.800 0.113 0.000 2.699 321 G HA2 0.244 4.204 3.960 -0.000 0.000 0.686 321 G HA3 0.244 4.204 3.960 -0.000 0.000 0.686 321 G C 0.768 175.765 174.900 0.161 0.000 1.301 321 G CA -0.295 44.880 45.100 0.125 0.000 0.816 321 G HN 1.297 nan 8.290 nan 0.000 0.595 322 A N -0.365 122.536 122.820 0.136 0.000 1.933 322 A HA 0.187 4.507 4.320 -0.000 0.000 0.218 322 A C 2.643 180.313 177.584 0.142 0.000 1.175 322 A CA 3.271 55.387 52.037 0.131 0.000 0.628 322 A CB -0.350 18.694 19.000 0.073 0.000 0.814 322 A HN 1.598 nan 8.150 nan 0.000 0.444 323 V N -1.075 118.875 119.914 0.059 0.000 2.379 323 V HA -0.182 3.937 4.120 -0.000 0.000 0.243 323 V C 2.205 178.312 176.094 0.021 0.000 1.035 323 V CA 2.079 64.380 62.300 0.003 0.000 1.035 323 V CB -1.040 30.666 31.823 -0.195 0.000 0.673 323 V HN 0.733 nan 8.190 nan 0.000 0.457 324 H N -0.169 118.968 119.070 0.112 0.000 2.470 324 H HA -0.030 4.526 4.556 -0.000 0.000 0.289 324 H C 2.276 177.597 175.328 -0.012 0.000 1.033 324 H CA 0.974 57.044 56.048 0.037 0.000 1.331 324 H CB 0.114 29.876 29.762 -0.000 0.000 1.414 324 H HN 0.320 nan 8.280 nan 0.000 0.545 325 N N -0.080 118.692 118.700 0.120 0.000 2.120 325 N HA -0.121 4.618 4.740 -0.000 0.000 0.188 325 N C 1.780 177.272 175.510 -0.030 0.000 1.024 325 N CA 1.750 54.798 53.050 -0.004 0.000 0.852 325 N CB -0.481 37.969 38.487 -0.062 0.000 1.003 325 N HN 0.325 nan 8.380 nan 0.000 0.424 326 T N 0.845 115.461 114.554 0.103 0.000 2.708 326 T HA -0.179 4.170 4.350 -0.000 0.000 0.266 326 T C 1.857 176.449 174.700 -0.180 0.000 1.037 326 T CA 1.175 63.341 62.100 0.109 0.000 1.146 326 T CB -0.250 68.823 68.868 0.342 0.000 0.865 326 T HN 0.354 nan 8.240 nan 0.000 0.435 327 Q N 0.113 119.710 119.800 -0.339 0.000 2.061 327 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 327 Q C 2.315 178.054 176.000 -0.435 0.000 0.984 327 Q CA 1.174 56.456 55.803 -0.868 0.000 0.846 327 Q CB -0.259 28.270 28.738 -0.349 0.000 0.902 327 Q HN 0.337 nan 8.270 nan 0.000 0.421 328 L N 0.744 121.842 121.223 -0.208 0.000 2.012 328 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 328 L C 2.067 178.858 176.870 -0.133 0.000 1.073 328 L CA 1.639 56.391 54.840 -0.145 0.000 0.748 328 L CB -0.783 41.209 42.059 -0.113 0.000 0.891 328 L HN 0.330 nan 8.230 nan 0.000 0.431 329 L N -1.856 119.270 121.223 -0.161 0.000 2.046 329 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 329 L C 2.420 179.328 176.870 0.064 0.000 1.077 329 L CA 1.043 55.817 54.840 -0.110 0.000 0.747 329 L CB -0.630 41.261 42.059 -0.280 0.000 0.896 329 L HN 0.098 nan 8.230 nan 0.000 0.432 330 V N -0.173 119.704 119.914 -0.062 0.000 2.358 330 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 330 V C 2.094 178.164 176.094 -0.040 0.000 1.047 330 V CA 1.976 64.258 62.300 -0.028 0.000 1.035 330 V CB -0.726 31.039 31.823 -0.096 0.000 0.658 330 V HN 0.481 nan 8.190 nan 0.000 0.452 331 N N 0.094 118.728 118.700 -0.110 0.000 2.519 331 N HA -0.109 4.630 4.740 -0.000 0.000 0.186 331 N C 1.556 177.043 175.510 -0.038 0.000 1.062 331 N CA 1.196 54.202 53.050 -0.072 0.000 0.910 331 N CB -0.059 38.372 38.487 -0.093 0.000 0.958 331 N HN 0.405 nan 8.380 nan 0.000 0.445 332 S N -1.691 114.011 115.700 0.004 0.000 2.540 332 S HA 0.319 4.789 4.470 -0.000 0.000 0.218 332 S C 1.082 175.652 174.600 -0.051 0.000 0.977 332 S CA 0.268 58.476 58.200 0.013 0.000 0.918 332 S CB 0.639 63.904 63.200 0.110 0.000 0.806 332 S HN 0.535 nan 8.310 nan 0.000 0.496 333 G N 1.144 109.919 108.800 -0.040 0.000 2.159 333 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.227 333 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.227 333 G C -0.065 174.717 174.900 -0.196 0.000 0.986 333 G CA -0.570 44.458 45.100 -0.120 0.000 0.651 333 G HN 0.407 nan 8.290 nan 0.000 0.523 334 F N 0.926 120.844 119.950 -0.053 0.000 2.382 334 F HA 0.512 5.039 4.527 -0.000 0.000 0.331 334 F C 1.702 177.510 175.800 0.013 0.000 1.121 334 F CA 1.162 59.145 58.000 -0.029 0.000 1.183 334 F CB 0.822 39.776 39.000 -0.077 0.000 1.207 334 F HN 0.752 nan 8.300 nan 0.000 0.555 335 G N 1.927 110.868 108.800 0.234 0.000 2.596 335 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.295 335 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.295 335 G C -0.682 174.291 174.900 0.122 0.000 1.240 335 G CA 0.351 45.557 45.100 0.176 0.000 0.985 335 G HN 0.895 nan 8.290 nan 0.000 0.555 336 Q N -1.220 118.660 119.800 0.133 0.000 2.289 336 Q HA 0.648 4.988 4.340 -0.000 0.000 0.270 336 Q C -1.143 174.945 176.000 0.146 0.000 1.038 336 Q CA -0.995 54.869 55.803 0.101 0.000 0.812 336 Q CB 1.799 30.578 28.738 0.067 0.000 1.300 336 Q HN 0.932 nan 8.270 nan 0.000 0.427 337 L N 3.356 124.652 121.223 0.123 0.000 2.395 337 L HA 0.823 5.163 4.340 -0.000 0.000 0.269 337 L C 0.341 177.297 176.870 0.145 0.000 1.133 337 L CA 1.883 56.824 54.840 0.168 0.000 0.812 337 L CB 1.145 43.275 42.059 0.119 0.000 1.125 337 L HN 0.881 nan 8.230 nan 0.000 0.452 338 G N 3.441 112.382 108.800 0.235 0.000 2.710 338 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.668 338 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.668 338 G C -0.571 174.224 174.900 -0.175 0.000 1.320 338 G CA -0.277 44.909 45.100 0.144 0.000 0.860 338 G HN 0.905 nan 8.290 nan 0.000 0.538 339 R N 0.786 120.950 120.500 -0.560 0.000 2.484 339 R HA 0.343 4.683 4.340 -0.000 0.000 0.293 339 R C -1.912 173.957 176.300 -0.719 0.000 1.023 339 R CA -0.612 54.736 56.100 -1.253 0.000 1.037 339 R CB -0.054 29.790 30.300 -0.760 0.000 0.951 339 R HN 0.329 nan 8.270 nan 0.000 0.418 340 P HA -0.101 nan 4.420 nan 0.000 0.261 340 P C -1.275 175.867 177.300 -0.263 0.000 1.183 340 P CA 0.592 63.457 63.100 -0.391 0.000 0.761 340 P CB 0.326 31.811 31.700 -0.357 0.000 0.785 341 N N 4.143 122.746 118.700 -0.162 0.000 2.576 341 N HA 0.200 4.940 4.740 -0.000 0.000 0.269 341 N C -1.834 173.633 175.510 -0.072 0.000 1.058 341 N CA -2.039 50.943 53.050 -0.113 0.000 0.860 341 N CB 1.468 39.897 38.487 -0.096 0.000 1.249 341 N HN 0.152 nan 8.380 nan 0.000 0.525 342 P HA -0.008 nan 4.420 nan 0.000 0.229 342 P C 0.757 178.041 177.300 -0.027 0.000 1.160 342 P CA 0.518 63.594 63.100 -0.040 0.000 0.777 342 P CB 0.255 31.931 31.700 -0.040 0.000 0.814 343 A N -0.482 122.319 122.820 -0.031 0.000 2.235 343 A HA -0.012 4.308 4.320 -0.000 0.000 0.208 343 A C 1.190 178.762 177.584 -0.020 0.000 1.172 343 A CA 0.279 52.302 52.037 -0.023 0.000 0.786 343 A CB -0.829 18.157 19.000 -0.024 0.000 0.804 343 A HN 0.206 nan 8.150 nan 0.000 0.479 344 N N 0.515 119.201 118.700 -0.023 0.000 2.725 344 N HA 0.226 4.966 4.740 -0.000 0.000 0.248 344 N C -3.369 172.136 175.510 -0.009 0.000 1.402 344 N CA -1.078 51.963 53.050 -0.016 0.000 0.766 344 N CB 1.127 39.603 38.487 -0.018 0.000 1.223 344 N HN -0.045 nan 8.380 nan 0.000 0.515 345 P HA 0.213 nan 4.420 nan 0.000 0.269 345 P C -2.463 174.849 177.300 0.020 0.000 1.209 345 P CA -0.649 62.459 63.100 0.012 0.000 0.776 345 P CB 0.290 32.001 31.700 0.019 0.000 0.876 346 P HA 0.144 nan 4.420 nan 0.000 0.279 346 P C 0.546 177.872 177.300 0.043 0.000 1.252 346 P CA -0.221 62.902 63.100 0.039 0.000 0.811 346 P CB 1.295 33.031 31.700 0.060 0.000 1.035 347 E N 0.328 120.547 120.200 0.031 0.000 2.072 347 E HA -0.025 4.325 4.350 -0.000 0.000 0.190 347 E C 0.143 176.777 176.600 0.057 0.000 0.982 347 E CA 0.753 57.171 56.400 0.029 0.000 0.803 347 E CB 0.045 29.749 29.700 0.007 0.000 0.755 347 E HN 0.405 nan 8.360 nan 0.000 0.453 348 L N 1.285 122.550 121.223 0.070 0.000 2.317 348 L HA 0.268 4.608 4.340 -0.000 0.000 0.281 348 L C 0.196 177.195 176.870 0.215 0.000 1.024 348 L CA -0.656 54.270 54.840 0.144 0.000 0.810 348 L CB 1.639 43.746 42.059 0.080 0.000 1.240 348 L HN 0.145 nan 8.230 nan 0.000 0.427 349 L N 3.584 124.960 121.223 0.254 0.000 3.823 349 L HA -0.186 4.154 4.340 -0.000 0.000 0.525 349 L C -1.422 175.563 176.870 0.192 0.000 1.247 349 L CA -0.509 54.478 54.840 0.244 0.000 0.776 349 L CB -0.899 41.332 42.059 0.286 0.000 1.443 349 L HN 0.605 nan 8.230 nan 0.000 0.831 350 P HA -0.119 nan 4.420 nan 0.000 0.225 350 P C 1.241 178.639 177.300 0.164 0.000 1.148 350 P CA 1.079 64.259 63.100 0.134 0.000 0.779 350 P CB 0.326 32.086 31.700 0.101 0.000 0.780 351 S N -0.703 115.114 115.700 0.195 0.000 2.558 351 S HA 0.065 4.535 4.470 -0.000 0.000 0.217 351 S C 0.828 175.587 174.600 0.266 0.000 0.975 351 S CA -0.414 57.947 58.200 0.268 0.000 0.912 351 S CB -0.643 62.705 63.200 0.247 0.000 0.776 351 S HN 0.067 nan 8.310 nan 0.000 0.526 352 L N 2.413 123.771 121.223 0.226 0.000 2.559 352 L HA 0.373 4.713 4.340 -0.000 0.000 0.274 352 L C 1.186 178.199 176.870 0.238 0.000 1.205 352 L CA 1.191 56.166 54.840 0.226 0.000 0.907 352 L CB -0.398 41.783 42.059 0.203 0.000 1.153 352 L HN 0.347 nan 8.230 nan 0.000 0.490 353 G N 2.390 111.340 108.800 0.250 0.000 2.184 353 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.264 353 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.264 353 G C 0.414 175.439 174.900 0.209 0.000 0.975 353 G CA 0.351 45.597 45.100 0.244 0.000 0.642 353 G HN 0.832 nan 8.290 nan 0.000 0.536 354 S N -1.389 114.438 115.700 0.212 0.000 2.681 354 S HA 0.647 5.117 4.470 -0.000 0.000 0.299 354 S C 0.367 175.114 174.600 0.245 0.000 1.113 354 S CA 0.072 58.336 58.200 0.106 0.000 1.013 354 S CB 0.931 64.103 63.200 -0.046 0.000 1.076 354 S HN 0.933 nan 8.310 nan 0.000 0.534 355 Y N -1.005 119.366 120.300 0.118 0.000 4.177 355 Y HA -0.207 4.342 4.550 -0.000 0.000 0.227 355 Y C 0.532 176.516 175.900 0.139 0.000 1.154 355 Y CA 0.173 58.340 58.100 0.113 0.000 1.887 355 Y CB -2.252 36.270 38.460 0.102 0.000 1.594 355 Y HN 0.630 nan 8.280 nan 0.000 0.668 356 I N -0.002 120.720 120.570 0.253 0.000 2.754 356 I HA 0.450 4.620 4.170 -0.000 0.000 0.285 356 I C 0.679 176.964 176.117 0.280 0.000 1.166 356 I CA 0.514 61.964 61.300 0.250 0.000 1.417 356 I CB 1.220 39.366 38.000 0.244 0.000 1.382 356 I HN 0.219 nan 8.210 nan 0.000 0.588 357 T N 1.803 116.483 114.554 0.210 0.000 2.893 357 T HA 0.685 5.034 4.350 -0.000 0.000 0.293 357 T C -0.700 174.032 174.700 0.052 0.000 1.027 357 T CA -0.703 61.509 62.100 0.187 0.000 0.988 357 T CB 2.105 71.033 68.868 0.100 0.000 1.043 357 T HN 0.826 nan 8.240 nan 0.000 0.461 358 E N 1.033 121.247 120.200 0.023 0.000 2.356 358 E HA 0.365 4.715 4.350 -0.000 0.000 0.275 358 E C -1.105 175.627 176.600 0.219 0.000 0.904 358 E CA -0.581 55.801 56.400 -0.030 0.000 0.757 358 E CB 2.093 31.563 29.700 -0.383 0.000 1.232 358 E HN 0.718 nan 8.360 nan 0.000 0.442 359 Q N 1.006 120.937 119.800 0.219 0.000 2.299 359 Q HA 0.459 4.799 4.340 -0.000 0.000 0.246 359 Q C -0.435 175.762 176.000 0.328 0.000 0.935 359 Q CA -0.445 55.531 55.803 0.287 0.000 0.887 359 Q CB 1.275 30.215 28.738 0.337 0.000 1.223 359 Q HN 0.441 nan 8.270 nan 0.000 0.439 360 S N 1.533 117.340 115.700 0.180 0.000 2.565 360 S HA 0.324 4.794 4.470 -0.000 0.000 0.276 360 S C -0.706 173.943 174.600 0.082 0.000 1.326 360 S CA -0.502 57.679 58.200 -0.031 0.000 1.045 360 S CB 0.408 63.479 63.200 -0.214 0.000 0.918 360 S HN 0.362 nan 8.310 nan 0.000 0.505 361 L N 4.919 126.164 121.223 0.036 0.000 2.376 361 L HA 0.664 5.003 4.340 -0.000 0.000 0.275 361 L C -0.676 176.057 176.870 -0.229 0.000 0.987 361 L CA -0.682 54.081 54.840 -0.128 0.000 0.828 361 L CB 1.441 43.412 42.059 -0.147 0.000 1.249 361 L HN 0.475 nan 8.230 nan 0.000 0.409 362 V N 2.225 121.913 119.914 -0.377 0.000 2.732 362 V HA 0.740 4.860 4.120 -0.000 0.000 0.310 362 V C -0.876 175.068 176.094 -0.250 0.000 1.053 362 V CA -0.640 61.359 62.300 -0.502 0.000 0.957 362 V CB 1.643 32.975 31.823 -0.818 0.000 1.018 362 V HN 0.787 nan 8.190 nan 0.000 0.452 363 F N 4.256 123.985 119.950 -0.369 0.000 2.619 363 F HA 0.856 5.383 4.527 -0.000 0.000 0.308 363 F C -0.386 175.273 175.800 -0.235 0.000 1.097 363 F CA -0.169 57.690 58.000 -0.234 0.000 0.953 363 F CB 1.563 40.470 39.000 -0.155 0.000 1.287 363 F HN 1.216 nan 8.300 nan 0.000 0.446 364 C N 2.680 121.285 119.300 -1.159 0.000 3.320 364 C HA 0.794 5.254 4.460 -0.000 0.000 0.335 364 C C -1.761 172.640 174.990 -0.982 0.000 1.430 364 C CA -0.679 57.695 59.018 -1.072 0.000 1.271 364 C CB 1.666 29.035 27.740 -0.618 0.000 1.609 364 C HN 0.971 nan 8.230 nan 0.000 0.457 365 Q N 0.559 120.048 119.800 -0.518 0.000 2.387 365 Q HA 0.765 5.105 4.340 -0.000 0.000 0.273 365 Q C -0.555 175.469 176.000 0.039 0.000 1.089 365 Q CA -0.229 55.485 55.803 -0.149 0.000 0.824 365 Q CB 2.710 31.345 28.738 -0.172 0.000 1.367 365 Q HN 0.946 nan 8.270 nan 0.000 0.443 366 T N -2.489 112.165 114.554 0.167 0.000 2.924 366 T HA 0.703 5.053 4.350 -0.000 0.000 0.291 366 T C -0.578 174.178 174.700 0.093 0.000 1.045 366 T CA -0.709 61.461 62.100 0.117 0.000 1.015 366 T CB 1.255 70.207 68.868 0.140 0.000 1.103 366 T HN 0.256 nan 8.240 nan 0.000 0.496 367 V N 3.057 122.993 119.914 0.037 0.000 2.384 367 V HA 0.401 4.521 4.120 -0.000 0.000 0.287 367 V C 0.313 176.414 176.094 0.012 0.000 1.020 367 V CA -0.922 61.391 62.300 0.021 0.000 0.850 367 V CB 1.141 32.968 31.823 0.006 0.000 0.987 367 V HN 1.038 nan 8.190 nan 0.000 0.436 368 M N 4.841 124.455 119.600 0.023 0.000 2.248 368 M HA 0.081 4.561 4.480 -0.000 0.000 0.343 368 M C 0.908 177.210 176.300 0.004 0.000 1.243 368 M CA 0.717 56.032 55.300 0.025 0.000 1.025 368 M CB 0.593 33.206 32.600 0.023 0.000 1.759 368 M HN 0.936 nan 8.290 nan 0.000 0.452 369 S N 2.644 118.344 115.700 -0.001 0.000 2.563 369 S HA 0.030 4.500 4.470 -0.000 0.000 0.284 369 S C 1.011 175.609 174.600 -0.002 0.000 1.331 369 S CA -0.011 58.181 58.200 -0.014 0.000 1.047 369 S CB 0.419 63.606 63.200 -0.021 0.000 0.859 369 S HN 0.815 nan 8.310 nan 0.000 0.514 370 T N 2.248 116.797 114.554 -0.007 0.000 2.699 370 T HA -0.155 4.194 4.350 -0.000 0.000 0.268 370 T C 1.641 176.346 174.700 0.008 0.000 1.036 370 T CA 1.956 64.056 62.100 0.001 0.000 1.147 370 T CB -0.482 68.383 68.868 -0.004 0.000 0.862 370 T HN 0.772 nan 8.240 nan 0.000 0.446 371 E N 0.640 120.841 120.200 0.003 0.000 2.058 371 E HA -0.080 4.269 4.350 -0.000 0.000 0.194 371 E C 2.303 178.918 176.600 0.025 0.000 0.997 371 E CA 0.972 57.377 56.400 0.008 0.000 0.801 371 E CB -0.307 29.391 29.700 -0.004 0.000 0.746 371 E HN 0.434 nan 8.360 nan 0.000 0.450 372 L N 0.828 122.068 121.223 0.028 0.000 2.056 372 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 372 L C 2.465 179.372 176.870 0.062 0.000 1.078 372 L CA 0.491 55.361 54.840 0.051 0.000 0.749 372 L CB -0.277 41.812 42.059 0.050 0.000 0.901 372 L HN 0.186 nan 8.230 nan 0.000 0.433 373 I N -0.037 120.557 120.570 0.040 0.000 2.226 373 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 373 I C 2.151 178.298 176.117 0.050 0.000 1.100 373 I CA 1.540 62.861 61.300 0.035 0.000 1.374 373 I CB -1.118 36.892 38.000 0.018 0.000 1.057 373 I HN 0.295 nan 8.210 nan 0.000 0.413 374 D N 0.744 121.172 120.400 0.047 0.000 2.149 374 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 374 D C 2.364 178.712 176.300 0.079 0.000 0.990 374 D CA 1.721 55.752 54.000 0.053 0.000 0.839 374 D CB -0.132 40.690 40.800 0.037 0.000 0.948 374 D HN 0.377 nan 8.370 nan 0.000 0.460 375 S N 0.038 115.793 115.700 0.092 0.000 2.419 375 S HA -0.120 4.350 4.470 -0.000 0.000 0.233 375 S C 2.166 176.913 174.600 0.245 0.000 1.016 375 S CA 0.802 59.087 58.200 0.142 0.000 0.974 375 S CB -0.517 62.759 63.200 0.127 0.000 0.786 375 S HN 0.085 nan 8.310 nan 0.000 0.492 376 V N 3.076 123.111 119.914 0.201 0.000 2.392 376 V HA -0.184 3.935 4.120 -0.000 0.000 0.249 376 V C 2.331 178.555 176.094 0.217 0.000 1.059 376 V CA 2.199 64.641 62.300 0.237 0.000 1.051 376 V CB -0.819 31.057 31.823 0.088 0.000 0.658 376 V HN 0.822 nan 8.190 nan 0.000 0.455 377 K N 0.464 120.953 120.400 0.148 0.000 2.397 377 K HA 0.153 4.472 4.320 -0.000 0.000 0.202 377 K C 1.758 178.421 176.600 0.105 0.000 1.022 377 K CA 0.722 57.080 56.287 0.117 0.000 1.141 377 K CB 0.086 32.637 32.500 0.085 0.000 0.857 377 K HN 0.441 nan 8.250 nan 0.000 0.514 378 S N 1.353 117.131 115.700 0.131 0.000 2.402 378 S HA -0.203 4.266 4.470 -0.000 0.000 0.233 378 S C 1.028 175.649 174.600 0.035 0.000 1.030 378 S CA 1.554 59.796 58.200 0.071 0.000 1.003 378 S CB -0.345 62.882 63.200 0.045 0.000 0.813 378 S HN 0.318 nan 8.310 nan 0.000 0.477 379 D N 0.839 121.272 120.400 0.054 0.000 2.340 379 D HA 0.224 4.863 4.640 -0.000 0.000 0.220 379 D C 0.072 176.408 176.300 0.060 0.000 1.039 379 D CA 0.286 54.301 54.000 0.025 0.000 0.866 379 D CB -0.031 40.769 40.800 0.001 0.000 0.913 379 D HN 0.391 nan 8.370 nan 0.000 0.523 380 M N 0.579 120.214 119.600 0.059 0.000 2.233 380 M HA 0.226 4.706 4.480 -0.000 0.000 0.355 380 M C 0.117 176.436 176.300 0.032 0.000 1.191 380 M CA -0.092 55.246 55.300 0.063 0.000 1.101 380 M CB 1.148 33.779 32.600 0.052 0.000 1.592 380 M HN -0.303 nan 8.290 nan 0.000 0.461 381 T N 4.395 118.961 114.554 0.019 0.000 2.749 381 T HA 0.651 5.001 4.350 -0.000 0.000 0.287 381 T C 0.211 174.876 174.700 -0.059 0.000 0.970 381 T CA -0.375 61.716 62.100 -0.015 0.000 0.980 381 T CB 0.594 69.451 68.868 -0.019 0.000 0.924 381 T HN 0.454 nan 8.240 nan 0.000 0.456 382 I N 3.808 124.338 120.570 -0.068 0.000 2.371 382 I HA 0.329 4.499 4.170 -0.000 0.000 0.282 382 I C 0.443 176.494 176.117 -0.110 0.000 1.031 382 I CA -0.607 60.611 61.300 -0.137 0.000 1.180 382 I CB 0.833 38.792 38.000 -0.069 0.000 1.336 382 I HN 0.320 nan 8.210 nan 0.000 0.467 383 R N 4.654 125.057 120.500 -0.160 0.000 2.312 383 R HA 0.725 5.065 4.340 -0.000 0.000 0.311 383 R C 0.425 176.690 176.300 -0.059 0.000 1.004 383 R CA -0.308 55.739 56.100 -0.088 0.000 0.902 383 R CB 1.563 31.818 30.300 -0.076 0.000 1.073 383 R HN 0.850 nan 8.270 nan 0.000 0.457 384 G N 1.232 110.056 108.800 0.040 0.000 2.698 384 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.225 384 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.225 384 G C -0.579 174.467 174.900 0.242 0.000 1.345 384 G CA -0.483 44.693 45.100 0.126 0.000 0.871 384 G HN 0.662 nan 8.290 nan 0.000 0.540 385 T N -0.410 114.274 114.554 0.217 0.000 2.824 385 T HA 0.715 5.065 4.350 -0.000 0.000 0.280 385 T C -2.633 172.069 174.700 0.003 0.000 0.995 385 T CA -1.496 60.690 62.100 0.143 0.000 1.009 385 T CB 2.196 71.093 68.868 0.048 0.000 0.955 385 T HN 0.522 nan 8.240 nan 0.000 0.452 386 P HA 0.338 nan 4.420 nan 0.000 0.268 386 P C 1.255 178.308 177.300 -0.412 0.000 1.205 386 P CA 0.893 63.400 63.100 -0.989 0.000 0.771 386 P CB 0.387 31.573 31.700 -0.857 0.000 0.858 387 G N 1.103 109.699 108.800 -0.340 0.000 2.299 387 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.237 387 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.237 387 G C 0.256 175.114 174.900 -0.070 0.000 1.027 387 G CA -0.146 44.864 45.100 -0.151 0.000 0.619 387 G HN 0.561 nan 8.290 nan 0.000 0.513 388 E N -0.384 119.788 120.200 -0.048 0.000 2.312 388 E HA 0.531 4.881 4.350 -0.000 0.000 0.259 388 E C 1.437 178.064 176.600 0.045 0.000 1.122 388 E CA -0.626 55.778 56.400 0.006 0.000 0.922 388 E CB 1.029 30.740 29.700 0.018 0.000 1.109 388 E HN 0.073 nan 8.360 nan 0.000 0.442 389 L N 1.075 122.321 121.223 0.039 0.000 2.021 389 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 389 L C 1.876 178.781 176.870 0.057 0.000 1.074 389 L CA 2.290 57.154 54.840 0.040 0.000 0.760 389 L CB -0.343 41.732 42.059 0.027 0.000 0.889 389 L HN 0.693 nan 8.230 nan 0.000 0.433 390 T N -4.744 109.852 114.554 0.071 0.000 3.331 390 T HA 0.134 4.483 4.350 -0.000 0.000 0.282 390 T C -0.016 174.741 174.700 0.094 0.000 1.010 390 T CA -0.531 61.607 62.100 0.063 0.000 0.928 390 T CB -0.805 68.082 68.868 0.033 0.000 1.154 390 T HN 0.057 nan 8.240 nan 0.000 0.516 391 Y N 2.302 122.600 120.300 -0.003 0.000 2.805 391 Y HA 0.394 4.944 4.550 -0.000 0.000 0.331 391 Y C 0.257 176.156 175.900 -0.002 0.000 1.241 391 Y CA 0.285 58.383 58.100 -0.003 0.000 1.546 391 Y CB 0.252 38.708 38.460 -0.006 0.000 1.248 391 Y HN 0.369 nan 8.280 nan 0.000 0.559 392 S N 4.430 119.885 115.700 -0.409 0.000 2.541 392 S HA 0.760 5.229 4.470 -0.000 0.000 0.280 392 S C -1.786 172.527 174.600 -0.478 0.000 1.112 392 S CA -0.727 57.275 58.200 -0.330 0.000 0.925 392 S CB 1.033 64.141 63.200 -0.154 0.000 1.067 392 S HN 0.447 nan 8.310 nan 0.000 0.479 393 V N 4.007 123.739 119.914 -0.304 0.000 2.443 393 V HA 0.686 4.806 4.120 -0.000 0.000 0.293 393 V C -0.234 175.833 176.094 -0.044 0.000 1.021 393 V CA -0.616 61.571 62.300 -0.188 0.000 0.848 393 V CB 1.423 33.167 31.823 -0.131 0.000 0.998 393 V HN 0.999 nan 8.190 nan 0.000 0.424 394 T N 1.696 116.247 114.554 -0.005 0.000 2.896 394 T HA 0.877 5.227 4.350 -0.000 0.000 0.297 394 T C -1.036 173.743 174.700 0.131 0.000 1.108 394 T CA -0.803 61.317 62.100 0.033 0.000 1.004 394 T CB 2.336 71.181 68.868 -0.038 0.000 1.159 394 T HN 0.888 nan 8.240 nan 0.000 0.499 395 Y N -1.607 118.681 120.300 -0.019 0.000 2.597 395 Y HA 0.739 5.288 4.550 -0.000 0.000 0.340 395 Y C -0.971 174.920 175.900 -0.015 0.000 1.097 395 Y CA -1.288 56.803 58.100 -0.015 0.000 1.037 395 Y CB 0.846 39.304 38.460 -0.004 0.000 1.305 395 Y HN 0.654 nan 8.280 nan 0.000 0.463 396 T N 4.399 118.894 114.554 -0.099 0.000 2.762 396 T HA 0.366 4.716 4.350 -0.000 0.000 0.303 396 T C -2.785 171.872 174.700 -0.073 0.000 0.977 396 T CA -1.289 60.721 62.100 -0.150 0.000 0.961 396 T CB 0.448 69.289 68.868 -0.046 0.000 0.944 396 T HN 0.372 nan 8.240 nan 0.000 0.481 397 P HA 0.212 nan 4.420 nan 0.000 0.263 397 P C 1.136 178.469 177.300 0.055 0.000 1.195 397 P CA 0.847 63.969 63.100 0.037 0.000 0.762 397 P CB 0.279 31.966 31.700 -0.022 0.000 0.799 398 G N 1.969 110.824 108.800 0.092 0.000 2.179 398 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.260 398 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.260 398 G C 0.490 175.404 174.900 0.025 0.000 0.977 398 G CA -0.003 45.127 45.100 0.050 0.000 0.641 398 G HN 0.847 nan 8.290 nan 0.000 0.533 399 A N 0.272 123.107 122.820 0.025 0.000 2.406 399 A HA 0.718 5.038 4.320 -0.000 0.000 0.243 399 A C 1.745 179.320 177.584 -0.015 0.000 1.082 399 A CA 1.324 53.362 52.037 0.002 0.000 0.786 399 A CB 0.545 19.547 19.000 0.003 0.000 1.029 399 A HN 1.663 nan 8.150 nan 0.000 0.495 400 S N -0.070 115.616 115.700 -0.023 0.000 2.458 400 S HA -0.083 4.387 4.470 -0.000 0.000 0.223 400 S C 1.227 175.795 174.600 -0.053 0.000 1.019 400 S CA 1.397 59.576 58.200 -0.035 0.000 0.937 400 S CB -0.517 62.666 63.200 -0.028 0.000 0.788 400 S HN 0.830 nan 8.310 nan 0.000 0.511 401 T N 1.281 115.804 114.554 -0.051 0.000 3.129 401 T HA 0.223 4.573 4.350 -0.000 0.000 0.251 401 T C 0.297 174.939 174.700 -0.097 0.000 1.117 401 T CA -0.336 61.723 62.100 -0.068 0.000 1.034 401 T CB -0.537 68.299 68.868 -0.053 0.000 0.968 401 T HN 0.255 nan 8.240 nan 0.000 0.526 402 N N 2.552 121.196 118.700 -0.093 0.000 2.447 402 N HA 0.093 4.833 4.740 -0.000 0.000 0.263 402 N C 1.070 176.431 175.510 -0.248 0.000 1.226 402 N CA -0.015 52.954 53.050 -0.135 0.000 0.906 402 N CB 0.745 39.180 38.487 -0.086 0.000 1.060 402 N HN 0.142 nan 8.380 nan 0.000 0.468 403 K N 1.456 121.616 120.400 -0.400 0.000 2.366 403 K HA -0.010 4.310 4.320 -0.000 0.000 0.198 403 K C -0.078 175.962 176.600 -0.932 0.000 1.044 403 K CA 0.898 56.788 56.287 -0.662 0.000 0.973 403 K CB 0.098 32.084 32.500 -0.856 0.000 0.767 403 K HN 0.577 nan 8.250 nan 0.000 0.475 404 H N -0.223 118.531 119.070 -0.528 0.000 2.747 404 H HA 0.297 4.853 4.556 -0.000 0.000 0.371 404 H C -2.390 172.612 175.328 -0.544 0.000 1.161 404 H CA -2.507 53.057 56.048 -0.807 0.000 1.167 404 H CB 1.584 30.447 29.762 -1.498 0.000 1.732 404 H HN -0.129 nan 8.280 nan 0.000 0.544 405 P HA -0.006 nan 4.420 nan 0.000 0.272 405 P C 0.263 177.330 177.300 -0.389 0.000 1.230 405 P CA -0.164 62.729 63.100 -0.345 0.000 0.788 405 P CB 1.381 32.842 31.700 -0.398 0.000 0.949 406 D N 0.723 121.042 120.400 -0.134 0.000 2.123 406 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 406 D C 1.951 178.233 176.300 -0.031 0.000 0.992 406 D CA 1.324 55.320 54.000 -0.006 0.000 0.833 406 D CB -0.561 40.341 40.800 0.170 0.000 0.954 406 D HN 0.613 nan 8.370 nan 0.000 0.455 407 W N 0.322 121.692 121.300 0.116 0.000 2.350 407 W HA -0.167 4.493 4.660 -0.000 0.000 0.289 407 W C 1.939 178.527 176.519 0.116 0.000 1.215 407 W CA 0.260 57.668 57.345 0.105 0.000 1.236 407 W CB -1.361 28.156 29.460 0.096 0.000 1.130 407 W HN 0.083 nan 8.180 nan 0.000 0.541 408 W N 3.484 124.218 121.300 -0.943 0.000 2.413 408 W HA -0.150 4.510 4.660 -0.000 0.000 0.315 408 W C 1.984 178.199 176.519 -0.507 0.000 1.186 408 W CA 1.712 58.521 57.345 -0.893 0.000 1.326 408 W CB -1.110 27.616 29.460 -1.222 0.000 1.153 408 W HN -0.136 nan 8.180 nan 0.000 0.489 409 N N 1.041 119.645 118.700 -0.159 0.000 2.149 409 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 409 N C 1.498 176.670 175.510 -0.563 0.000 1.019 409 N CA 2.029 54.803 53.050 -0.460 0.000 0.857 409 N CB -0.683 37.181 38.487 -1.038 0.000 0.997 409 N HN 0.275 nan 8.380 nan 0.000 0.426 410 E N 1.521 121.504 120.200 -0.362 0.000 2.077 410 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 410 E C 1.623 178.250 176.600 0.046 0.000 0.989 410 E CA 1.375 57.779 56.400 0.007 0.000 0.800 410 E CB 0.022 29.826 29.700 0.174 0.000 0.746 410 E HN 0.264 nan 8.360 nan 0.000 0.452 411 K N -0.493 119.924 120.400 0.029 0.000 2.057 411 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 411 K C 2.125 178.728 176.600 0.004 0.000 1.049 411 K CA 1.426 57.731 56.287 0.030 0.000 0.931 411 K CB -0.136 32.370 32.500 0.011 0.000 0.714 411 K HN 0.031 nan 8.250 nan 0.000 0.440 412 V N 1.749 121.632 119.914 -0.052 0.000 2.307 412 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 412 V C 2.352 178.479 176.094 0.054 0.000 1.045 412 V CA 1.544 63.829 62.300 -0.025 0.000 1.024 412 V CB -0.358 31.444 31.823 -0.034 0.000 0.651 412 V HN 0.319 nan 8.190 nan 0.000 0.449 413 K N 0.309 120.733 120.400 0.039 0.000 2.009 413 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 413 K C 2.026 178.681 176.600 0.093 0.000 1.049 413 K CA 1.963 58.306 56.287 0.094 0.000 0.929 413 K CB -0.217 32.396 32.500 0.188 0.000 0.714 413 K HN 0.419 nan 8.250 nan 0.000 0.440 414 N N 0.244 119.004 118.700 0.100 0.000 2.166 414 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 414 N C 1.736 177.295 175.510 0.083 0.000 1.019 414 N CA 1.264 54.366 53.050 0.086 0.000 0.856 414 N CB -0.567 37.978 38.487 0.098 0.000 0.993 414 N HN 0.420 nan 8.380 nan 0.000 0.426 415 H N 0.638 119.729 119.070 0.035 0.000 2.299 415 H HA 0.124 4.680 4.556 -0.000 0.000 0.302 415 H C 2.065 177.423 175.328 0.050 0.000 1.078 415 H CA 1.654 57.728 56.048 0.043 0.000 1.323 415 H CB -0.137 29.570 29.762 -0.091 0.000 1.381 415 H HN 0.058 nan 8.280 nan 0.000 0.498 416 M N -0.755 118.816 119.600 -0.049 0.000 2.213 416 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 416 M C 1.908 178.244 176.300 0.060 0.000 1.062 416 M CA 1.256 56.547 55.300 -0.015 0.000 1.105 416 M CB 0.029 32.699 32.600 0.116 0.000 1.385 416 M HN 0.397 nan 8.290 nan 0.000 0.417 417 M N -0.707 118.919 119.600 0.043 0.000 2.287 417 M HA -0.095 4.384 4.480 -0.000 0.000 0.266 417 M C 1.762 178.038 176.300 -0.041 0.000 1.079 417 M CA 1.572 56.913 55.300 0.069 0.000 1.146 417 M CB -0.550 32.078 32.600 0.047 0.000 1.374 417 M HN 0.300 nan 8.290 nan 0.000 0.435 418 Q N -0.938 118.763 119.800 -0.165 0.000 2.424 418 Q HA -0.030 4.310 4.340 -0.000 0.000 0.204 418 Q C -0.101 175.510 176.000 -0.649 0.000 0.933 418 Q CA 0.611 56.196 55.803 -0.363 0.000 0.929 418 Q CB 0.426 28.919 28.738 -0.408 0.000 1.037 418 Q HN 0.502 nan 8.270 nan 0.000 0.511 419 H N -0.069 118.911 119.070 -0.151 0.000 2.439 419 H HA 0.183 4.739 4.556 -0.000 0.000 0.230 419 H C 0.136 175.357 175.328 -0.178 0.000 1.420 419 H CA -0.104 55.848 56.048 -0.159 0.000 1.305 419 H CB 0.467 30.065 29.762 -0.273 0.000 1.667 419 H HN 0.239 nan 8.280 nan 0.000 0.515 420 Q N 0.631 120.388 119.800 -0.073 0.000 2.291 420 Q HA -0.124 4.216 4.340 -0.000 0.000 0.205 420 Q C 1.933 177.862 176.000 -0.118 0.000 0.970 420 Q CA 1.053 56.766 55.803 -0.151 0.000 0.876 420 Q CB 0.380 28.978 28.738 -0.233 0.000 0.935 420 Q HN 0.510 nan 8.270 nan 0.000 0.455 421 E N 1.247 121.431 120.200 -0.026 0.000 2.418 421 E HA -0.131 4.218 4.350 -0.000 0.000 0.197 421 E C -0.336 176.290 176.600 0.044 0.000 1.026 421 E CA 0.642 57.046 56.400 0.006 0.000 0.862 421 E CB -0.024 29.703 29.700 0.045 0.000 0.799 421 E HN 0.178 nan 8.360 nan 0.000 0.518 422 D N 1.793 122.233 120.400 0.067 0.000 2.225 422 D HA 0.134 4.773 4.640 -0.000 0.000 0.248 422 D C -1.640 174.701 176.300 0.067 0.000 1.096 422 D CA -2.184 51.885 54.000 0.116 0.000 0.863 422 D CB 1.618 42.524 40.800 0.177 0.000 1.156 422 D HN -0.166 nan 8.370 nan 0.000 0.450 423 P HA 0.112 nan 4.420 nan 0.000 0.249 423 P C -0.253 177.083 177.300 0.061 0.000 1.229 423 P CA 0.183 63.314 63.100 0.052 0.000 0.788 423 P CB 0.385 32.110 31.700 0.042 0.000 1.072 424 L N 1.541 122.813 121.223 0.082 0.000 2.334 424 L HA 0.390 4.730 4.340 -0.000 0.000 0.273 424 L C -1.422 175.492 176.870 0.073 0.000 1.013 424 L CA -2.288 52.580 54.840 0.048 0.000 0.816 424 L CB 2.538 44.598 42.059 0.001 0.000 1.278 424 L HN -0.315 nan 8.230 nan 0.000 0.431 425 P HA 0.090 nan 4.420 nan 0.000 0.251 425 P C 0.244 177.456 177.300 -0.147 0.000 1.223 425 P CA 0.518 63.637 63.100 0.031 0.000 0.796 425 P CB 0.458 32.171 31.700 0.023 0.000 1.068 426 I N 2.447 122.840 120.570 -0.296 0.000 2.416 426 I HA 0.195 4.365 4.170 -0.000 0.000 0.288 426 I C -2.107 173.541 176.117 -0.781 0.000 1.051 426 I CA -2.661 58.389 61.300 -0.417 0.000 1.375 426 I CB 0.536 38.368 38.000 -0.280 0.000 1.407 426 I HN -0.221 nan 8.210 nan 0.000 0.516 427 P HA -0.014 nan 4.420 nan 0.000 0.267 427 P C 0.292 177.315 177.300 -0.462 0.000 1.200 427 P CA 0.046 62.717 63.100 -0.716 0.000 0.772 427 P CB 0.346 31.892 31.700 -0.258 0.000 0.855 428 F N 0.729 120.518 119.950 -0.269 0.000 2.171 428 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 428 F C 1.731 177.475 175.800 -0.094 0.000 1.090 428 F CA 1.581 59.487 58.000 -0.157 0.000 1.293 428 F CB -0.932 38.000 39.000 -0.114 0.000 1.013 428 F HN 0.394 nan 8.300 nan 0.000 0.486 429 E N -0.209 120.062 120.200 0.118 0.000 2.419 429 E HA 0.003 4.353 4.350 -0.000 0.000 0.190 429 E C -0.227 176.388 176.600 0.026 0.000 1.040 429 E CA -0.184 56.259 56.400 0.071 0.000 0.900 429 E CB -0.330 29.414 29.700 0.074 0.000 1.054 429 E HN 0.211 nan 8.360 nan 0.000 0.462 430 D N 2.889 123.280 120.400 -0.015 0.000 2.487 430 D HA 0.013 4.653 4.640 -0.000 0.000 0.243 430 D C -2.248 174.065 176.300 0.021 0.000 1.154 430 D CA -1.378 52.603 54.000 -0.031 0.000 0.876 430 D CB 0.753 41.494 40.800 -0.099 0.000 1.161 430 D HN -0.113 nan 8.370 nan 0.000 0.478 431 P HA 0.070 nan 4.420 nan 0.000 0.271 431 P C -0.359 177.047 177.300 0.175 0.000 1.233 431 P CA -0.369 62.823 63.100 0.154 0.000 0.789 431 P CB 0.368 32.180 31.700 0.187 0.000 0.951 432 E N 1.621 121.936 120.200 0.191 0.000 2.371 432 E HA 0.227 4.577 4.350 -0.000 0.000 0.257 432 E C -2.494 174.123 176.600 0.027 0.000 1.134 432 E CA -1.980 54.461 56.400 0.068 0.000 0.919 432 E CB -0.934 28.770 29.700 0.007 0.000 1.025 432 E HN 0.209 nan 8.360 nan 0.000 0.438 433 P HA 0.090 nan 4.420 nan 0.000 0.272 433 P C -0.564 176.724 177.300 -0.020 0.000 1.223 433 P CA -0.015 63.142 63.100 0.095 0.000 0.784 433 P CB 0.408 32.118 31.700 0.018 0.000 0.923 434 Q N 1.030 120.912 119.800 0.137 0.000 3.484 434 Q HA 0.312 4.652 4.340 -0.000 0.000 0.255 434 Q C -1.110 174.967 176.000 0.129 0.000 0.909 434 Q CA -0.295 55.465 55.803 -0.071 0.000 0.774 434 Q CB 1.223 29.671 28.738 -0.483 0.000 1.431 434 Q HN 0.180 nan 8.270 nan 0.000 0.423 435 V N 0.543 120.501 119.914 0.073 0.000 2.667 435 V HA 0.747 4.867 4.120 -0.000 0.000 0.308 435 V C 0.145 176.253 176.094 0.022 0.000 1.048 435 V CA -0.452 61.897 62.300 0.082 0.000 0.928 435 V CB 2.099 33.923 31.823 0.001 0.000 1.004 435 V HN 0.461 nan 8.190 nan 0.000 0.444 436 T N 1.538 116.136 114.554 0.073 0.000 2.916 436 T HA 0.470 4.820 4.350 -0.000 0.000 0.305 436 T C -0.950 173.680 174.700 -0.116 0.000 1.119 436 T CA -0.310 61.774 62.100 -0.027 0.000 1.008 436 T CB 1.845 70.692 68.868 -0.034 0.000 1.129 436 T HN 0.825 nan 8.240 nan 0.000 0.480 437 T N 4.682 119.008 114.554 -0.379 0.000 2.772 437 T HA 0.606 4.955 4.350 -0.000 0.000 0.288 437 T C -0.095 174.452 174.700 -0.254 0.000 0.994 437 T CA -0.587 61.124 62.100 -0.647 0.000 0.951 437 T CB -0.158 67.876 68.868 -1.390 0.000 0.933 437 T HN 0.509 nan 8.240 nan 0.000 0.447 438 L N 4.523 125.681 121.223 -0.107 0.000 2.452 438 L HA 0.397 4.737 4.340 -0.000 0.000 0.267 438 L C 0.730 177.621 176.870 0.035 0.000 1.188 438 L CA -0.931 53.935 54.840 0.045 0.000 0.821 438 L CB 0.224 42.302 42.059 0.032 0.000 1.102 438 L HN 0.621 nan 8.230 nan 0.000 0.470 439 F N 2.964 122.858 119.950 -0.095 0.000 2.568 439 F HA -0.105 4.422 4.527 -0.000 0.000 0.394 439 F C 0.287 175.835 175.800 -0.419 0.000 1.032 439 F CA 0.690 58.537 58.000 -0.255 0.000 1.242 439 F CB 0.104 39.003 39.000 -0.168 0.000 0.966 439 F HN 0.401 nan 8.300 nan 0.000 0.560 440 Q N 6.432 125.768 119.800 -0.773 0.000 2.511 440 Q HA 0.257 4.597 4.340 -0.000 0.000 0.289 440 Q C -2.041 173.543 176.000 -0.695 0.000 1.021 440 Q CA -1.726 53.704 55.803 -0.622 0.000 0.785 440 Q CB 1.389 29.609 28.738 -0.863 0.000 1.472 440 Q HN 0.226 nan 8.270 nan 0.000 0.411 441 P HA -0.173 nan 4.420 nan 0.000 0.217 441 P C 1.125 178.213 177.300 -0.353 0.000 1.148 441 P CA 1.870 64.805 63.100 -0.276 0.000 0.828 441 P CB 0.273 31.900 31.700 -0.122 0.000 0.783 442 S N -1.668 113.819 115.700 -0.355 0.000 2.562 442 S HA -0.078 4.391 4.470 -0.000 0.000 0.221 442 S C 0.484 174.898 174.600 -0.310 0.000 0.975 442 S CA 0.084 58.151 58.200 -0.222 0.000 0.918 442 S CB -1.203 61.967 63.200 -0.049 0.000 0.772 442 S HN 0.423 nan 8.310 nan 0.000 0.531 443 H N -1.335 117.293 119.070 -0.737 0.000 2.562 443 H HA 0.445 5.001 4.556 -0.000 0.000 0.230 443 H C -3.237 170.912 175.328 -1.966 0.000 1.415 443 H CA -1.716 53.502 56.048 -1.382 0.000 1.454 443 H CB 0.297 29.543 29.762 -0.860 0.000 1.716 443 H HN 0.069 nan 8.280 nan 0.000 0.538 444 P HA 0.067 nan 4.420 nan 0.000 0.226 444 P C -1.212 175.420 177.300 -1.114 0.000 1.783 444 P CA 0.255 62.215 63.100 -1.900 0.000 0.980 444 P CB -1.079 30.089 31.700 -0.886 0.000 1.967 445 W N -0.371 120.547 121.300 -0.637 0.000 3.213 445 W HA 0.520 5.179 4.660 -0.000 0.000 0.318 445 W C -0.849 175.733 176.519 0.105 0.000 1.248 445 W CA -1.278 56.044 57.345 -0.038 0.000 1.187 445 W CB 0.094 29.576 29.460 0.035 0.000 1.403 445 W HN -0.014 nan 8.180 nan 0.000 0.556 446 H N 1.079 120.414 119.070 0.443 0.000 2.505 446 H HA 0.670 5.226 4.556 -0.000 0.000 0.351 446 H C -0.174 175.315 175.328 0.267 0.000 1.151 446 H CA 0.436 56.657 56.048 0.288 0.000 1.339 446 H CB 1.489 31.383 29.762 0.220 0.000 1.483 446 H HN 0.570 nan 8.280 nan 0.000 0.558 447 T N 2.151 116.359 114.554 -0.576 0.000 2.861 447 T HA 0.507 4.857 4.350 -0.000 0.000 0.287 447 T C -0.783 173.613 174.700 -0.506 0.000 1.003 447 T CA -1.084 60.690 62.100 -0.544 0.000 0.977 447 T CB 1.494 69.939 68.868 -0.705 0.000 0.996 447 T HN 0.673 nan 8.240 nan 0.000 0.448 448 Q N 2.176 121.877 119.800 -0.165 0.000 2.304 448 Q HA 0.568 4.908 4.340 -0.000 0.000 0.270 448 Q C -1.168 174.713 176.000 -0.198 0.000 1.035 448 Q CA -0.650 54.971 55.803 -0.303 0.000 0.781 448 Q CB 2.640 31.064 28.738 -0.523 0.000 1.261 448 Q HN 0.726 nan 8.270 nan 0.000 0.444 449 I N 3.773 124.191 120.570 -0.253 0.000 2.537 449 I HA 0.362 4.532 4.170 -0.000 0.000 0.276 449 I C -0.410 175.589 176.117 -0.196 0.000 1.063 449 I CA -0.240 60.806 61.300 -0.422 0.000 1.144 449 I CB 0.381 38.006 38.000 -0.624 0.000 1.252 449 I HN 0.761 nan 8.210 nan 0.000 0.480 450 H N 3.622 122.497 119.070 -0.325 0.000 3.001 450 H HA 0.646 5.202 4.556 -0.000 0.000 0.266 450 H C -1.208 174.030 175.328 -0.150 0.000 1.532 450 H CA -1.363 54.564 56.048 -0.202 0.000 1.187 450 H CB 1.353 31.023 29.762 -0.154 0.000 1.881 450 H HN 0.094 nan 8.280 nan 0.000 0.643 451 R N 1.328 121.641 120.500 -0.313 0.000 2.575 451 R HA 0.294 4.634 4.340 -0.000 0.000 0.293 451 R C -1.469 174.564 176.300 -0.444 0.000 0.983 451 R CA -0.582 55.305 56.100 -0.354 0.000 0.887 451 R CB 1.777 32.005 30.300 -0.121 0.000 1.184 451 R HN 0.901 nan 8.270 nan 0.000 0.445 452 D N 0.425 120.582 120.400 -0.405 0.000 2.614 452 D HA 0.444 5.083 4.640 -0.000 0.000 0.264 452 D C -0.528 175.750 176.300 -0.036 0.000 1.092 452 D CA -0.853 53.017 54.000 -0.216 0.000 1.071 452 D CB 0.447 41.121 40.800 -0.210 0.000 1.443 452 D HN 0.382 nan 8.370 nan 0.000 0.528 453 A N -0.409 122.416 122.820 0.008 0.000 2.584 453 A HA 0.369 4.689 4.320 -0.000 0.000 0.239 453 A C -0.768 176.892 177.584 0.127 0.000 1.043 453 A CA 0.305 52.399 52.037 0.096 0.000 0.756 453 A CB -0.786 18.297 19.000 0.138 0.000 0.963 453 A HN 0.472 nan 8.150 nan 0.000 0.511 454 F N 1.683 121.574 119.950 -0.098 0.000 2.608 454 F HA 0.472 4.999 4.527 -0.000 0.000 0.309 454 F C 0.208 175.835 175.800 -0.289 0.000 1.103 454 F CA -0.254 57.574 58.000 -0.287 0.000 0.954 454 F CB 2.015 40.694 39.000 -0.535 0.000 1.267 454 F HN 0.561 nan 8.300 nan 0.000 0.444 455 S N 4.106 119.282 115.700 -0.874 0.000 2.473 455 S HA 0.403 4.873 4.470 -0.000 0.000 0.312 455 S C -1.047 173.213 174.600 -0.566 0.000 1.087 455 S CA -0.442 57.445 58.200 -0.521 0.000 1.077 455 S CB -0.550 62.399 63.200 -0.418 0.000 1.065 455 S HN 0.454 nan 8.310 nan 0.000 0.510 456 Y N 2.348 122.658 120.300 0.017 0.000 2.359 456 Y HA 0.449 4.999 4.550 -0.000 0.000 0.330 456 Y C 1.574 177.515 175.900 0.069 0.000 1.143 456 Y CA 0.311 58.522 58.100 0.185 0.000 1.318 456 Y CB 0.311 38.909 38.460 0.230 0.000 1.234 456 Y HN 0.840 nan 8.280 nan 0.000 0.522 457 G N 1.133 110.065 108.800 0.221 0.000 2.690 457 G HA2 0.236 4.195 3.960 -0.000 0.000 0.239 457 G HA3 0.236 4.195 3.960 -0.000 0.000 0.239 457 G C 0.896 175.881 174.900 0.143 0.000 1.233 457 G CA -0.042 45.140 45.100 0.138 0.000 0.847 457 G HN 0.912 nan 8.290 nan 0.000 0.588 458 A N 0.248 123.122 122.820 0.089 0.000 1.972 458 A HA -0.004 4.315 4.320 -0.000 0.000 0.219 458 A C 2.509 180.133 177.584 0.067 0.000 1.169 458 A CA 1.894 53.973 52.037 0.071 0.000 0.635 458 A CB -0.416 18.612 19.000 0.047 0.000 0.810 458 A HN 0.548 nan 8.150 nan 0.000 0.446 459 V N -0.132 119.825 119.914 0.072 0.000 2.323 459 V HA -0.288 3.832 4.120 -0.000 0.000 0.244 459 V C 2.571 178.710 176.094 0.075 0.000 1.041 459 V CA 2.073 64.411 62.300 0.063 0.000 1.025 459 V CB -0.961 30.897 31.823 0.059 0.000 0.656 459 V HN 0.627 nan 8.190 nan 0.000 0.451 460 Q N -0.283 119.591 119.800 0.123 0.000 2.135 460 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 460 Q C 2.221 178.253 176.000 0.054 0.000 0.981 460 Q CA 1.484 57.376 55.803 0.149 0.000 0.856 460 Q CB -0.238 28.704 28.738 0.341 0.000 0.902 460 Q HN 0.670 nan 8.270 nan 0.000 0.425 461 Q N -0.230 119.607 119.800 0.061 0.000 2.500 461 Q HA -0.074 4.265 4.340 -0.000 0.000 0.213 461 Q C 1.877 177.865 176.000 -0.021 0.000 0.974 461 Q CA 0.447 56.244 55.803 -0.011 0.000 0.918 461 Q CB 0.006 28.767 28.738 0.038 0.000 0.980 461 Q HN 0.179 nan 8.270 nan 0.000 0.505 462 S N -0.045 115.655 115.700 0.001 0.000 2.423 462 S HA -0.030 4.439 4.470 -0.000 0.000 0.231 462 S C 0.835 175.426 174.600 -0.016 0.000 1.014 462 S CA 0.274 58.473 58.200 -0.000 0.000 0.965 462 S CB 0.237 63.445 63.200 0.014 0.000 0.785 462 S HN 0.157 nan 8.310 nan 0.000 0.495 463 I N 2.774 123.324 120.570 -0.035 0.000 2.365 463 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 463 I C 0.342 176.413 176.117 -0.077 0.000 1.004 463 I CA -0.850 60.423 61.300 -0.045 0.000 1.311 463 I CB 0.775 38.751 38.000 -0.039 0.000 1.401 463 I HN 0.152 nan 8.210 nan 0.000 0.491 464 D N 4.283 124.657 120.400 -0.044 0.000 2.450 464 D HA -0.063 4.577 4.640 -0.000 0.000 0.247 464 D C 1.287 177.545 176.300 -0.069 0.000 1.162 464 D CA 0.193 54.170 54.000 -0.038 0.000 0.879 464 D CB 1.172 41.974 40.800 0.003 0.000 1.163 464 D HN 0.669 nan 8.370 nan 0.000 0.472 465 S N 4.448 120.093 115.700 -0.090 0.000 2.419 465 S HA -0.210 4.260 4.470 -0.000 0.000 0.235 465 S C 1.682 176.249 174.600 -0.055 0.000 1.019 465 S CA 0.699 58.829 58.200 -0.116 0.000 0.982 465 S CB -0.077 63.059 63.200 -0.107 0.000 0.789 465 S HN 0.568 nan 8.310 nan 0.000 0.490 466 R N 0.729 121.213 120.500 -0.027 0.000 2.200 466 R HA 0.132 4.472 4.340 -0.000 0.000 0.234 466 R C 1.937 178.220 176.300 -0.029 0.000 1.127 466 R CA 1.317 57.401 56.100 -0.028 0.000 0.989 466 R CB -0.568 29.710 30.300 -0.038 0.000 0.869 466 R HN 0.469 nan 8.270 nan 0.000 0.459 467 L N 0.255 121.462 121.223 -0.026 0.000 2.418 467 L HA 0.101 4.441 4.340 -0.000 0.000 0.218 467 L C 0.780 177.651 176.870 0.001 0.000 1.125 467 L CA 0.255 55.087 54.840 -0.013 0.000 0.835 467 L CB 0.053 42.105 42.059 -0.012 0.000 0.953 467 L HN 0.064 nan 8.230 nan 0.000 0.454 468 I N 0.018 120.582 120.570 -0.010 0.000 2.428 468 I HA 0.257 4.427 4.170 -0.000 0.000 0.296 468 I C -0.604 175.524 176.117 0.019 0.000 0.985 468 I CA -0.427 60.880 61.300 0.013 0.000 1.260 468 I CB 1.882 39.878 38.000 -0.005 0.000 1.389 468 I HN -0.306 nan 8.210 nan 0.000 0.484 469 V N 4.521 124.464 119.914 0.048 0.000 2.638 469 V HA 0.299 4.419 4.120 -0.000 0.000 0.306 469 V C -0.899 175.171 176.094 -0.041 0.000 1.052 469 V CA -0.890 61.393 62.300 -0.029 0.000 0.885 469 V CB 2.098 33.901 31.823 -0.033 0.000 0.999 469 V HN 0.587 nan 8.190 nan 0.000 0.424 470 D N 2.703 123.009 120.400 -0.157 0.000 2.255 470 D HA 0.434 5.074 4.640 -0.000 0.000 0.249 470 D C -0.956 175.225 176.300 -0.199 0.000 1.078 470 D CA 0.118 54.053 54.000 -0.109 0.000 0.896 470 D CB 1.243 42.003 40.800 -0.066 0.000 1.194 470 D HN 0.442 nan 8.370 nan 0.000 0.429 471 W N 1.362 122.592 121.300 -0.118 0.000 2.538 471 W HA 0.446 5.105 4.660 -0.000 0.000 0.322 471 W C 0.241 176.755 176.519 -0.008 0.000 1.028 471 W CA -0.858 56.468 57.345 -0.031 0.000 1.228 471 W CB 1.221 30.560 29.460 -0.202 0.000 1.356 471 W HN -0.076 nan 8.180 nan 0.000 0.452 472 R N 3.002 123.702 120.500 0.334 0.000 2.483 472 R HA 0.507 4.847 4.340 -0.000 0.000 0.303 472 R C -1.498 174.948 176.300 0.243 0.000 0.987 472 R CA -0.825 55.358 56.100 0.138 0.000 0.881 472 R CB 1.533 31.876 30.300 0.072 0.000 1.177 472 R HN 0.173 nan 8.270 nan 0.000 0.451 473 F N 2.903 122.677 119.950 -0.294 0.000 2.469 473 F HA 0.521 5.048 4.527 -0.000 0.000 0.332 473 F C -0.290 175.359 175.800 -0.252 0.000 1.103 473 F CA -1.539 56.378 58.000 -0.139 0.000 0.979 473 F CB 1.119 40.014 39.000 -0.175 0.000 1.137 473 F HN 0.294 nan 8.300 nan 0.000 0.463 474 F N 1.066 121.204 119.950 0.314 0.000 2.477 474 F HA 0.644 5.171 4.527 -0.000 0.000 0.335 474 F C 0.592 176.596 175.800 0.341 0.000 1.130 474 F CA -1.103 57.078 58.000 0.301 0.000 0.948 474 F CB 1.559 40.787 39.000 0.380 0.000 1.154 474 F HN 0.527 nan 8.300 nan 0.000 0.439 475 G N 2.103 111.149 108.800 0.409 0.000 2.477 475 G HA2 0.630 4.590 3.960 -0.000 0.000 0.304 475 G HA3 0.630 4.590 3.960 -0.000 0.000 0.304 475 G C -0.820 174.268 174.900 0.314 0.000 1.175 475 G CA -1.018 44.301 45.100 0.365 0.000 0.907 475 G HN 0.707 nan 8.290 nan 0.000 0.509 476 R N -0.744 119.937 120.500 0.301 0.000 2.486 476 R HA 0.666 5.006 4.340 -0.000 0.000 0.286 476 R C -0.990 175.405 176.300 0.159 0.000 0.999 476 R CA -0.591 55.608 56.100 0.165 0.000 0.993 476 R CB 1.308 31.724 30.300 0.193 0.000 1.084 476 R HN 0.272 nan 8.270 nan 0.000 0.487 477 T N 1.791 116.407 114.554 0.103 0.000 2.792 477 T HA 0.127 4.477 4.350 -0.000 0.000 0.280 477 T C -0.708 174.071 174.700 0.132 0.000 0.990 477 T CA -0.645 61.567 62.100 0.186 0.000 0.960 477 T CB 1.376 70.432 68.868 0.313 0.000 0.939 477 T HN 0.650 nan 8.240 nan 0.000 0.439 478 E N 4.351 124.634 120.200 0.137 0.000 2.415 478 E HA 0.094 4.444 4.350 -0.000 0.000 0.263 478 E C -2.148 174.532 176.600 0.134 0.000 0.995 478 E CA -1.605 54.866 56.400 0.118 0.000 0.915 478 E CB 0.508 30.270 29.700 0.103 0.000 0.951 478 E HN 0.198 nan 8.360 nan 0.000 0.449 479 P HA 0.106 nan 4.420 nan 0.000 0.276 479 P C -1.230 176.230 177.300 0.267 0.000 1.253 479 P CA 0.123 63.364 63.100 0.236 0.000 0.766 479 P CB 0.638 32.489 31.700 0.252 0.000 0.845 480 K N 2.571 123.075 120.400 0.174 0.000 2.427 480 K HA 0.176 4.496 4.320 -0.000 0.000 0.252 480 K C 0.923 177.361 176.600 -0.271 0.000 0.931 480 K CA -0.697 55.608 56.287 0.031 0.000 0.793 480 K CB 2.399 34.874 32.500 -0.041 0.000 1.211 480 K HN 0.441 nan 8.250 nan 0.000 0.426 481 E N 2.109 121.990 120.200 -0.531 0.000 2.153 481 E HA -0.201 4.148 4.350 -0.000 0.000 0.194 481 E C 1.010 177.350 176.600 -0.433 0.000 0.988 481 E CA 1.377 57.183 56.400 -0.990 0.000 0.811 481 E CB 0.482 29.822 29.700 -0.601 0.000 0.746 481 E HN 0.551 nan 8.360 nan 0.000 0.466 482 E N 0.416 120.471 120.200 -0.243 0.000 2.338 482 E HA -0.121 4.228 4.350 -0.000 0.000 0.197 482 E C 0.051 176.590 176.600 -0.101 0.000 1.007 482 E CA 0.351 56.665 56.400 -0.143 0.000 0.849 482 E CB -0.307 29.326 29.700 -0.112 0.000 0.774 482 E HN 0.066 nan 8.360 nan 0.000 0.506 483 N N 2.014 120.645 118.700 -0.115 0.000 2.411 483 N HA 0.167 4.907 4.740 -0.000 0.000 0.259 483 N C -0.765 174.807 175.510 0.103 0.000 1.103 483 N CA 0.185 53.224 53.050 -0.019 0.000 0.954 483 N CB 1.058 39.504 38.487 -0.068 0.000 1.085 483 N HN 0.122 nan 8.380 nan 0.000 0.485 484 K N 1.249 121.766 120.400 0.195 0.000 2.426 484 K HA 0.448 4.768 4.320 -0.000 0.000 0.251 484 K C -1.142 175.622 176.600 0.273 0.000 0.941 484 K CA -0.912 55.508 56.287 0.222 0.000 0.808 484 K CB 2.384 35.022 32.500 0.230 0.000 1.265 484 K HN 0.167 nan 8.250 nan 0.000 0.432 485 L N 4.204 125.538 121.223 0.185 0.000 2.298 485 L HA 0.562 4.902 4.340 -0.000 0.000 0.284 485 L C -1.281 175.541 176.870 -0.080 0.000 1.013 485 L CA -0.103 54.693 54.840 -0.074 0.000 0.824 485 L CB 0.473 42.488 42.059 -0.074 0.000 1.221 485 L HN 0.688 nan 8.230 nan 0.000 0.418 486 W N 3.767 124.794 121.300 -0.456 0.000 3.017 486 W HA 0.649 5.308 4.660 -0.000 0.000 0.341 486 W C -2.150 173.900 176.519 -0.782 0.000 1.180 486 W CA -1.261 55.857 57.345 -0.379 0.000 1.097 486 W CB 0.892 30.283 29.460 -0.115 0.000 1.468 486 W HN 0.330 nan 8.180 nan 0.000 0.584 487 F N 1.484 121.615 119.950 0.302 0.000 2.529 487 F HA 0.340 4.867 4.527 -0.000 0.000 0.320 487 F C 0.785 176.744 175.800 0.266 0.000 1.118 487 F CA -0.949 57.117 58.000 0.109 0.000 0.915 487 F CB 2.075 41.123 39.000 0.081 0.000 1.161 487 F HN 0.266 nan 8.300 nan 0.000 0.445 488 S N 1.087 116.927 115.700 0.233 0.000 2.562 488 S HA 0.038 4.508 4.470 -0.000 0.000 0.281 488 S C 0.812 175.561 174.600 0.249 0.000 1.333 488 S CA -0.465 57.904 58.200 0.282 0.000 1.052 488 S CB 0.369 63.642 63.200 0.121 0.000 0.884 488 S HN 0.701 nan 8.310 nan 0.000 0.506 489 D N 2.832 123.367 120.400 0.224 0.000 2.340 489 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 489 D C 1.000 177.364 176.300 0.106 0.000 1.039 489 D CA 0.520 54.607 54.000 0.144 0.000 0.866 489 D CB 0.147 41.014 40.800 0.113 0.000 0.913 489 D HN 0.520 nan 8.370 nan 0.000 0.523 490 K N -0.348 120.118 120.400 0.110 0.000 2.485 490 K HA 0.134 4.453 4.320 -0.000 0.000 0.200 490 K C 0.073 176.717 176.600 0.073 0.000 1.352 490 K CA -0.221 56.115 56.287 0.082 0.000 0.953 490 K CB 0.910 33.457 32.500 0.079 0.000 1.387 490 K HN -0.053 nan 8.250 nan 0.000 0.512 491 I N 3.535 124.151 120.570 0.076 0.000 2.474 491 I HA 0.099 4.269 4.170 -0.000 0.000 0.287 491 I C 0.484 176.638 176.117 0.062 0.000 1.048 491 I CA 0.089 61.423 61.300 0.057 0.000 1.383 491 I CB 0.969 38.990 38.000 0.036 0.000 1.412 491 I HN 0.222 nan 8.210 nan 0.000 0.531 492 T N 1.321 115.908 114.554 0.055 0.000 2.908 492 T HA 0.566 4.916 4.350 -0.000 0.000 0.290 492 T C -0.343 174.394 174.700 0.062 0.000 1.034 492 T CA -0.932 61.208 62.100 0.066 0.000 1.010 492 T CB 2.397 71.302 68.868 0.061 0.000 1.068 492 T HN 0.554 nan 8.240 nan 0.000 0.481 493 D N 0.983 121.436 120.400 0.089 0.000 2.478 493 D HA 0.455 5.094 4.640 -0.000 0.000 0.274 493 D C 1.652 178.000 176.300 0.080 0.000 1.234 493 D CA -0.417 53.643 54.000 0.099 0.000 1.069 493 D CB -0.027 40.867 40.800 0.156 0.000 1.113 493 D HN 0.645 nan 8.370 nan 0.000 0.571 494 A N -1.339 121.527 122.820 0.077 0.000 2.070 494 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 494 A C 1.212 178.648 177.584 -0.247 0.000 1.159 494 A CA 0.945 52.939 52.037 -0.072 0.000 0.656 494 A CB -0.963 17.978 19.000 -0.098 0.000 0.800 494 A HN 0.554 nan 8.150 nan 0.000 0.453 495 Y N -1.298 119.014 120.300 0.020 0.000 2.658 495 Y HA 0.251 4.801 4.550 -0.000 0.000 0.276 495 Y C 0.763 176.684 175.900 0.035 0.000 1.167 495 Y CA -0.211 57.900 58.100 0.018 0.000 1.230 495 Y CB -0.402 38.049 38.460 -0.014 0.000 1.144 495 Y HN 0.454 nan 8.280 nan 0.000 0.529 496 N N -0.109 118.664 118.700 0.122 0.000 2.747 496 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 496 N C -0.642 174.925 175.510 0.095 0.000 1.107 496 N CA 0.503 53.606 53.050 0.089 0.000 0.707 496 N CB -0.442 38.090 38.487 0.076 0.000 1.054 496 N HN 0.137 nan 8.380 nan 0.000 0.555 497 M N -0.191 119.479 119.600 0.116 0.000 2.528 497 M HA 0.411 4.890 4.480 -0.000 0.000 0.318 497 M C -2.092 174.271 176.300 0.105 0.000 1.195 497 M CA -1.945 53.409 55.300 0.090 0.000 1.000 497 M CB 0.529 33.175 32.600 0.077 0.000 1.615 497 M HN -0.242 nan 8.290 nan 0.000 0.469 498 P HA -0.027 nan 4.420 nan 0.000 0.261 498 P C -0.588 176.866 177.300 0.256 0.000 1.183 498 P CA 0.146 63.342 63.100 0.160 0.000 0.761 498 P CB 0.198 31.994 31.700 0.161 0.000 0.785 499 Q N 7.154 127.051 119.800 0.162 0.000 2.271 499 Q HA 0.139 4.479 4.340 -0.000 0.000 0.273 499 Q C -2.225 173.745 176.000 -0.049 0.000 1.051 499 Q CA -1.860 53.986 55.803 0.072 0.000 0.901 499 Q CB -0.230 28.503 28.738 -0.010 0.000 1.174 499 Q HN 0.298 nan 8.270 nan 0.000 0.385 500 P HA 0.090 nan 4.420 nan 0.000 0.271 500 P C -1.053 175.759 177.300 -0.814 0.000 1.216 500 P CA -0.097 62.600 63.100 -0.673 0.000 0.776 500 P CB 0.983 32.387 31.700 -0.494 0.000 0.881 501 T N 3.085 116.925 114.554 -1.189 0.000 2.921 501 T HA 0.495 4.845 4.350 -0.000 0.000 0.297 501 T C -0.554 173.475 174.700 -1.117 0.000 1.013 501 T CA -0.128 61.271 62.100 -1.168 0.000 0.990 501 T CB 0.484 68.344 68.868 -1.680 0.000 1.023 501 T HN 0.053 nan 8.240 nan 0.000 0.447 502 F N 1.970 121.651 119.950 -0.450 0.000 2.397 502 F HA 0.527 5.054 4.527 -0.000 0.000 0.331 502 F C 0.684 176.447 175.800 -0.061 0.000 1.090 502 F CA -1.010 56.858 58.000 -0.219 0.000 1.065 502 F CB 1.079 39.992 39.000 -0.144 0.000 1.184 502 F HN 0.406 nan 8.300 nan 0.000 0.499 503 D N 3.251 123.832 120.400 0.302 0.000 2.408 503 D HA 0.213 4.853 4.640 -0.000 0.000 0.261 503 D C -1.781 174.654 176.300 0.226 0.000 1.190 503 D CA -0.106 54.050 54.000 0.262 0.000 0.910 503 D CB 0.221 41.203 40.800 0.304 0.000 1.097 503 D HN 0.286 nan 8.370 nan 0.000 0.522 504 F N 3.216 123.163 119.950 -0.006 0.000 2.561 504 F HA 0.582 5.109 4.527 -0.000 0.000 0.313 504 F C -1.048 174.645 175.800 -0.179 0.000 1.126 504 F CA -0.598 57.327 58.000 -0.125 0.000 0.918 504 F CB 1.344 40.200 39.000 -0.239 0.000 1.199 504 F HN 0.008 nan 8.300 nan 0.000 0.444 505 R N 4.514 124.494 120.500 -0.867 0.000 2.725 505 R HA 0.349 4.689 4.340 -0.000 0.000 0.277 505 R C -1.605 174.056 176.300 -1.064 0.000 0.987 505 R CA -0.959 54.730 56.100 -0.684 0.000 0.901 505 R CB 1.754 31.873 30.300 -0.302 0.000 1.207 505 R HN 0.572 nan 8.270 nan 0.000 0.463 506 F N 3.031 122.754 119.950 -0.377 0.000 2.578 506 F HA 0.157 4.684 4.527 -0.000 0.000 0.381 506 F C -1.287 174.390 175.800 -0.206 0.000 1.069 506 F CA -1.071 56.794 58.000 -0.225 0.000 1.231 506 F CB -0.182 38.812 39.000 -0.010 0.000 1.086 506 F HN 0.138 nan 8.300 nan 0.000 0.564 507 P HA 0.127 nan 4.420 nan 0.000 0.267 507 P C -0.546 176.769 177.300 0.025 0.000 1.200 507 P CA -0.251 62.831 63.100 -0.030 0.000 0.772 507 P CB 0.529 32.224 31.700 -0.008 0.000 0.855 508 A N 2.343 125.163 122.820 0.000 0.000 2.386 508 A HA 0.572 4.892 4.320 -0.000 0.000 0.246 508 A C 1.071 178.670 177.584 0.025 0.000 1.089 508 A CA 0.784 52.828 52.037 0.010 0.000 0.790 508 A CB -0.939 18.060 19.000 -0.002 0.000 1.042 508 A HN 0.842 nan 8.150 nan 0.000 0.497 509 G N 0.024 108.841 108.800 0.028 0.000 2.481 509 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.230 509 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.230 509 G C 0.986 175.917 174.900 0.052 0.000 1.210 509 G CA 0.728 45.850 45.100 0.037 0.000 0.936 509 G HN 1.039 nan 8.290 nan 0.000 0.583 510 R N -0.247 120.290 120.500 0.062 0.000 2.103 510 R HA -0.115 4.225 4.340 -0.000 0.000 0.242 510 R C 2.788 179.147 176.300 0.097 0.000 1.142 510 R CA 2.897 59.044 56.100 0.079 0.000 0.960 510 R CB -0.908 29.442 30.300 0.083 0.000 0.858 510 R HN 0.628 nan 8.270 nan 0.000 0.439 511 T N -0.140 114.474 114.554 0.100 0.000 2.746 511 T HA -0.098 4.251 4.350 -0.000 0.000 0.267 511 T C 1.912 176.666 174.700 0.090 0.000 1.039 511 T CA 1.778 63.952 62.100 0.123 0.000 1.142 511 T CB -0.138 68.824 68.868 0.156 0.000 0.866 511 T HN 0.278 nan 8.240 nan 0.000 0.444 512 S N 0.472 116.210 115.700 0.064 0.000 2.377 512 S HA 0.022 4.492 4.470 -0.000 0.000 0.223 512 S C 2.004 176.618 174.600 0.022 0.000 1.030 512 S CA 0.680 58.890 58.200 0.016 0.000 0.970 512 S CB -0.129 63.075 63.200 0.007 0.000 0.830 512 S HN 0.452 nan 8.310 nan 0.000 0.473 513 K N 1.480 121.909 120.400 0.048 0.000 2.026 513 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 513 K C 1.850 178.508 176.600 0.096 0.000 1.048 513 K CA 1.400 57.724 56.287 0.061 0.000 0.929 513 K CB -0.153 32.387 32.500 0.066 0.000 0.713 513 K HN 0.368 nan 8.250 nan 0.000 0.439 514 E N 0.113 120.395 120.200 0.138 0.000 2.085 514 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 514 E C 1.998 178.687 176.600 0.149 0.000 0.994 514 E CA 1.142 57.679 56.400 0.229 0.000 0.801 514 E CB -0.167 29.703 29.700 0.282 0.000 0.743 514 E HN 0.441 nan 8.360 nan 0.000 0.453 515 A N 1.404 124.284 122.820 0.099 0.000 1.908 515 A HA -0.267 4.052 4.320 -0.000 0.000 0.218 515 A C 2.101 179.759 177.584 0.123 0.000 1.181 515 A CA 1.882 53.975 52.037 0.094 0.000 0.627 515 A CB -0.414 18.600 19.000 0.024 0.000 0.818 515 A HN 0.145 nan 8.150 nan 0.000 0.445 516 E N 0.467 120.722 120.200 0.090 0.000 2.072 516 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 516 E C 1.356 177.940 176.600 -0.026 0.000 0.982 516 E CA 1.487 57.937 56.400 0.082 0.000 0.803 516 E CB -0.325 29.401 29.700 0.043 0.000 0.755 516 E HN 0.526 nan 8.360 nan 0.000 0.453 517 D N -0.133 120.251 120.400 -0.026 0.000 2.182 517 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 517 D C 1.908 177.961 176.300 -0.411 0.000 0.986 517 D CA 1.121 55.086 54.000 -0.057 0.000 0.847 517 D CB -0.302 40.598 40.800 0.167 0.000 0.942 517 D HN 0.318 nan 8.370 nan 0.000 0.467 518 M N -0.359 118.790 119.600 -0.753 0.000 2.132 518 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 518 M C 2.026 177.903 176.300 -0.706 0.000 1.065 518 M CA 1.086 55.600 55.300 -1.309 0.000 1.122 518 M CB 0.026 32.081 32.600 -0.909 0.000 1.365 518 M HN -0.051 nan 8.290 nan 0.000 0.411 519 M N 0.388 119.696 119.600 -0.487 0.000 2.065 519 M HA -0.173 4.306 4.480 -0.000 0.000 0.259 519 M C 1.806 177.889 176.300 -0.361 0.000 1.069 519 M CA 2.430 57.448 55.300 -0.470 0.000 1.110 519 M CB -1.003 31.393 32.600 -0.340 0.000 1.328 519 M HN 0.268 nan 8.290 nan 0.000 0.405 520 T N -0.048 114.364 114.554 -0.238 0.000 2.746 520 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 520 T C 1.509 176.133 174.700 -0.127 0.000 1.039 520 T CA 1.798 63.813 62.100 -0.141 0.000 1.142 520 T CB -0.641 68.188 68.868 -0.064 0.000 0.866 520 T HN 0.520 nan 8.240 nan 0.000 0.444 521 D N 0.557 120.880 120.400 -0.128 0.000 2.123 521 D HA -0.099 4.541 4.640 -0.000 0.000 0.196 521 D C 2.064 178.347 176.300 -0.029 0.000 0.992 521 D CA 0.992 55.021 54.000 0.048 0.000 0.833 521 D CB -0.231 40.711 40.800 0.236 0.000 0.954 521 D HN 0.285 nan 8.370 nan 0.000 0.455 522 M N -0.491 118.852 119.600 -0.430 0.000 2.086 522 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 522 M C 2.035 178.038 176.300 -0.494 0.000 1.067 522 M CA 1.408 56.187 55.300 -0.869 0.000 1.116 522 M CB -0.182 31.668 32.600 -1.249 0.000 1.348 522 M HN 0.212 nan 8.290 nan 0.000 0.407 523 C N -0.367 118.741 119.300 -0.321 0.000 2.413 523 C HA -0.126 4.333 4.460 -0.000 0.000 0.276 523 C C 2.668 177.559 174.990 -0.166 0.000 1.248 523 C CA 0.939 59.878 59.018 -0.133 0.000 1.742 523 C CB -1.059 26.655 27.740 -0.043 0.000 2.017 523 C HN 0.508 nan 8.230 nan 0.000 0.481 524 V N 0.568 120.414 119.914 -0.112 0.000 2.270 524 V HA -0.293 3.826 4.120 -0.000 0.000 0.245 524 V C 2.404 178.470 176.094 -0.048 0.000 1.043 524 V CA 2.343 64.609 62.300 -0.056 0.000 1.014 524 V CB -0.684 31.156 31.823 0.029 0.000 0.645 524 V HN 0.591 nan 8.190 nan 0.000 0.447 525 M N 0.791 120.405 119.600 0.023 0.000 2.132 525 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 525 M C 2.447 178.618 176.300 -0.214 0.000 1.065 525 M CA 2.353 57.731 55.300 0.132 0.000 1.122 525 M CB -0.201 32.630 32.600 0.385 0.000 1.365 525 M HN 0.555 nan 8.290 nan 0.000 0.411 526 S N 0.576 115.835 115.700 -0.735 0.000 2.399 526 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 526 S C 2.014 176.223 174.600 -0.652 0.000 1.022 526 S CA 0.954 58.315 58.200 -1.398 0.000 0.983 526 S CB -0.911 61.251 63.200 -1.730 0.000 0.803 526 S HN 0.585 nan 8.310 nan 0.000 0.480 527 A N 2.181 124.716 122.820 -0.476 0.000 2.076 527 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 527 A C 2.154 179.611 177.584 -0.213 0.000 1.160 527 A CA 1.475 53.293 52.037 -0.365 0.000 0.653 527 A CB -0.585 18.223 19.000 -0.320 0.000 0.801 527 A HN 0.649 nan 8.150 nan 0.000 0.455 528 K N -0.746 119.572 120.400 -0.136 0.000 2.365 528 K HA 0.028 4.348 4.320 -0.000 0.000 0.199 528 K C 1.151 177.743 176.600 -0.013 0.000 1.045 528 K CA 0.769 57.022 56.287 -0.055 0.000 0.962 528 K CB -0.002 32.500 32.500 0.003 0.000 0.759 528 K HN 0.405 nan 8.250 nan 0.000 0.469 529 I N -0.692 119.885 120.570 0.011 0.000 3.172 529 I HA 0.152 4.322 4.170 -0.000 0.000 0.278 529 I C 1.087 177.220 176.117 0.027 0.000 1.174 529 I CA 0.574 61.930 61.300 0.093 0.000 1.445 529 I CB 0.103 38.302 38.000 0.332 0.000 1.175 529 I HN 0.110 nan 8.210 nan 0.000 0.447 530 G N -0.648 108.115 108.800 -0.062 0.000 2.328 530 G HA2 0.453 4.413 3.960 -0.000 0.000 0.295 530 G HA3 0.453 4.413 3.960 -0.000 0.000 0.295 530 G C -0.670 174.090 174.900 -0.232 0.000 1.413 530 G CA -0.167 44.873 45.100 -0.100 0.000 0.817 530 G HN 0.273 nan 8.290 nan 0.000 0.546 531 G N -1.123 107.537 108.800 -0.234 0.000 2.562 531 G HA2 0.565 4.525 3.960 -0.000 0.000 0.275 531 G HA3 0.565 4.525 3.960 -0.000 0.000 0.275 531 G C -0.239 174.493 174.900 -0.279 0.000 1.196 531 G CA -0.583 44.292 45.100 -0.375 0.000 0.908 531 G HN 0.473 nan 8.290 nan 0.000 0.524 532 F N -0.660 119.201 119.950 -0.148 0.000 2.602 532 F HA 0.156 4.683 4.527 -0.000 0.000 0.367 532 F C 0.761 176.507 175.800 -0.090 0.000 1.126 532 F CA -0.665 57.243 58.000 -0.154 0.000 1.321 532 F CB 0.508 39.409 39.000 -0.165 0.000 1.094 532 F HN 0.157 nan 8.300 nan 0.000 0.594 533 L N 6.300 127.597 121.223 0.124 0.000 2.361 533 L HA 0.372 4.712 4.340 -0.000 0.000 0.278 533 L C -2.369 174.553 176.870 0.086 0.000 1.113 533 L CA -1.912 52.978 54.840 0.083 0.000 0.849 533 L CB -0.035 42.070 42.059 0.076 0.000 1.155 533 L HN 0.286 nan 8.230 nan 0.000 0.452 534 P HA 0.185 nan 4.420 nan 0.000 0.264 534 P C 0.625 177.978 177.300 0.089 0.000 1.183 534 P CA 1.051 64.193 63.100 0.071 0.000 0.763 534 P CB 0.625 32.361 31.700 0.059 0.000 0.807 535 G N 1.995 110.841 108.800 0.077 0.000 2.195 535 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.246 535 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.246 535 G C 0.427 175.416 174.900 0.148 0.000 0.984 535 G CA 0.195 45.360 45.100 0.108 0.000 0.633 535 G HN 0.524 nan 8.290 nan 0.000 0.525 536 S N 0.712 116.475 115.700 0.106 0.000 2.526 536 S HA 0.515 4.985 4.470 -0.000 0.000 0.220 536 S C 0.398 174.933 174.600 -0.110 0.000 1.159 536 S CA -0.553 57.703 58.200 0.093 0.000 1.196 536 S CB 0.344 63.586 63.200 0.070 0.000 1.225 536 S HN 0.468 nan 8.310 nan 0.000 0.432 537 L N 2.634 123.778 121.223 -0.133 0.000 2.453 537 L HA 0.359 4.699 4.340 -0.000 0.000 0.261 537 L C -1.994 174.591 176.870 -0.475 0.000 1.179 537 L CA -2.193 52.428 54.840 -0.364 0.000 0.813 537 L CB 0.010 41.911 42.059 -0.263 0.000 1.110 537 L HN 0.082 nan 8.230 nan 0.000 0.466 538 P HA 0.004 nan 4.420 nan 0.000 0.263 538 P C -1.467 175.613 177.300 -0.368 0.000 1.195 538 P CA 0.098 62.814 63.100 -0.639 0.000 0.762 538 P CB 0.531 31.756 31.700 -0.790 0.000 0.799 539 Q N 1.909 121.540 119.800 -0.282 0.000 2.472 539 Q HA 0.466 4.806 4.340 -0.000 0.000 0.281 539 Q C -1.467 174.405 176.000 -0.213 0.000 0.997 539 Q CA -0.893 54.823 55.803 -0.145 0.000 0.828 539 Q CB 0.721 29.445 28.738 -0.023 0.000 1.443 539 Q HN 0.101 nan 8.270 nan 0.000 0.390 540 F N 1.609 121.506 119.950 -0.088 0.000 2.443 540 F HA 0.294 4.821 4.527 -0.000 0.000 0.353 540 F C 0.652 176.420 175.800 -0.052 0.000 1.101 540 F CA -0.323 57.625 58.000 -0.086 0.000 1.226 540 F CB 0.939 39.879 39.000 -0.100 0.000 1.140 540 F HN 0.391 nan 8.300 nan 0.000 0.557 541 M N 1.902 121.555 119.600 0.089 0.000 2.255 541 M HA 0.102 4.581 4.480 -0.000 0.000 0.336 541 M C 0.316 176.661 176.300 0.074 0.000 1.135 541 M CA -0.364 54.957 55.300 0.035 0.000 1.145 541 M CB 0.521 33.098 32.600 -0.038 0.000 1.473 541 M HN 0.601 nan 8.290 nan 0.000 0.462 542 E N 3.270 123.489 120.200 0.031 0.000 2.708 542 E HA -0.043 4.306 4.350 -0.000 0.000 0.260 542 E C -2.137 174.487 176.600 0.041 0.000 0.937 542 E CA -1.043 55.373 56.400 0.027 0.000 0.953 542 E CB 0.317 30.009 29.700 -0.014 0.000 0.915 542 E HN 0.208 nan 8.360 nan 0.000 0.487 543 P HA 0.025 nan 4.420 nan 0.000 0.263 543 P C 0.362 177.600 177.300 -0.104 0.000 1.195 543 P CA 1.107 64.250 63.100 0.071 0.000 0.762 543 P CB 0.664 32.387 31.700 0.038 0.000 0.799 544 G N 2.531 111.270 108.800 -0.102 0.000 2.225 544 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.254 544 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.254 544 G C 0.776 175.626 174.900 -0.082 0.000 0.988 544 G CA 0.203 45.204 45.100 -0.164 0.000 0.625 544 G HN 0.516 nan 8.290 nan 0.000 0.527 545 L N 1.032 122.224 121.223 -0.051 0.000 2.127 545 L HA 0.102 4.441 4.340 -0.000 0.000 0.211 545 L C 2.892 179.742 176.870 -0.033 0.000 1.089 545 L CA 2.461 57.275 54.840 -0.044 0.000 0.757 545 L CB -0.507 41.522 42.059 -0.051 0.000 0.899 545 L HN 0.527 nan 8.230 nan 0.000 0.434 546 V N -0.026 119.871 119.914 -0.028 0.000 2.453 546 V HA -0.234 3.886 4.120 -0.000 0.000 0.252 546 V C 1.583 177.597 176.094 -0.133 0.000 1.068 546 V CA 1.587 63.849 62.300 -0.063 0.000 1.070 546 V CB -0.253 31.569 31.823 -0.002 0.000 0.664 546 V HN 0.506 nan 8.190 nan 0.000 0.461 547 L N -0.166 121.047 121.223 -0.017 0.000 3.608 547 L HA -0.236 4.104 4.340 -0.000 0.000 0.422 547 L C 0.314 177.343 176.870 0.264 0.000 1.260 547 L CA 0.895 55.785 54.840 0.084 0.000 0.889 547 L CB -2.557 39.562 42.059 0.100 0.000 1.821 547 L HN 0.587 nan 8.230 nan 0.000 0.884 548 H N -0.659 118.506 119.070 0.159 0.000 2.467 548 H HA 0.279 4.835 4.556 -0.000 0.000 0.275 548 H C 0.525 175.988 175.328 0.225 0.000 1.131 548 H CA -1.048 55.137 56.048 0.228 0.000 0.989 548 H CB 0.722 30.658 29.762 0.289 0.000 1.696 548 H HN 0.205 nan 8.280 nan 0.000 0.574 549 L N 1.956 123.320 121.223 0.235 0.000 2.499 549 L HA 0.209 4.548 4.340 -0.000 0.000 0.273 549 L C 0.606 177.602 176.870 0.210 0.000 1.195 549 L CA 0.707 55.633 54.840 0.143 0.000 0.882 549 L CB 0.332 42.436 42.059 0.074 0.000 1.133 549 L HN 0.273 nan 8.230 nan 0.000 0.483 550 G N 1.864 110.800 108.800 0.227 0.000 2.730 550 G HA2 0.546 4.506 3.960 -0.000 0.000 0.289 550 G HA3 0.546 4.506 3.960 -0.000 0.000 0.289 550 G C 0.310 175.309 174.900 0.165 0.000 1.341 550 G CA -0.304 44.946 45.100 0.250 0.000 0.932 550 G HN 1.306 nan 8.290 nan 0.000 0.481 551 G N -1.333 107.529 108.800 0.104 0.000 2.179 551 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 551 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 551 G C 1.390 176.351 174.900 0.101 0.000 0.977 551 G CA 1.514 46.685 45.100 0.118 0.000 0.641 551 G HN 1.866 nan 8.290 nan 0.000 0.533 552 T N -1.722 112.846 114.554 0.022 0.000 2.962 552 T HA 0.129 4.479 4.350 -0.000 0.000 0.270 552 T C 1.044 175.833 174.700 0.149 0.000 1.088 552 T CA 1.891 64.047 62.100 0.094 0.000 1.127 552 T CB -0.324 68.610 68.868 0.109 0.000 0.883 552 T HN 1.515 nan 8.240 nan 0.000 0.493 553 H N -0.241 118.903 119.070 0.123 0.000 2.695 553 H HA 0.470 5.026 4.556 -0.000 0.000 0.222 553 H C -0.163 175.207 175.328 0.070 0.000 1.412 553 H CA -1.329 54.768 56.048 0.081 0.000 1.347 553 H CB -0.265 29.508 29.762 0.019 0.000 1.858 553 H HN 0.358 nan 8.280 nan 0.000 0.519 554 R N 0.848 121.432 120.500 0.140 0.000 2.582 554 R HA 0.349 4.689 4.340 -0.000 0.000 0.271 554 R C -0.353 176.004 176.300 0.094 0.000 1.078 554 R CA -0.794 55.358 56.100 0.086 0.000 1.127 554 R CB 1.084 31.430 30.300 0.077 0.000 1.038 554 R HN 0.468 nan 8.270 nan 0.000 0.500 555 M N 1.393 121.024 119.600 0.051 0.000 2.274 555 M HA 0.448 4.927 4.480 -0.000 0.000 0.344 555 M C -0.514 175.778 176.300 -0.013 0.000 1.161 555 M CA 0.266 55.572 55.300 0.010 0.000 1.126 555 M CB 1.537 34.118 32.600 -0.032 0.000 1.522 555 M HN 0.952 nan 8.290 nan 0.000 0.461 556 G N 2.102 110.898 108.800 -0.006 0.000 2.559 556 G HA2 0.398 4.357 3.960 -0.000 0.000 0.291 556 G HA3 0.398 4.357 3.960 -0.000 0.000 0.291 556 G C -0.900 173.993 174.900 -0.012 0.000 1.424 556 G CA -0.718 44.335 45.100 -0.077 0.000 0.786 556 G HN 0.680 nan 8.290 nan 0.000 0.485 557 F N -0.012 120.038 119.950 0.167 0.000 2.206 557 F HA 0.233 4.760 4.527 -0.000 0.000 0.298 557 F C 1.166 177.091 175.800 0.208 0.000 1.090 557 F CA 1.233 59.334 58.000 0.168 0.000 1.323 557 F CB 0.347 39.405 39.000 0.096 0.000 1.028 557 F HN 0.415 nan 8.300 nan 0.000 0.492 558 D N -1.105 119.456 120.400 0.267 0.000 2.757 558 D HA 0.128 4.768 4.640 -0.000 0.000 0.249 558 D C 0.684 176.824 176.300 -0.267 0.000 1.168 558 D CA -0.268 53.736 54.000 0.007 0.000 0.870 558 D CB 1.295 42.121 40.800 0.044 0.000 1.411 558 D HN 0.079 nan 8.370 nan 0.000 0.525 559 E N 3.169 122.865 120.200 -0.841 0.000 2.070 559 E HA -0.292 4.058 4.350 -0.000 0.000 0.197 559 E C 1.357 177.775 176.600 -0.303 0.000 1.004 559 E CA 1.336 57.222 56.400 -0.856 0.000 0.805 559 E CB 0.255 29.311 29.700 -1.073 0.000 0.744 559 E HN 0.456 nan 8.360 nan 0.000 0.451 560 K N 0.144 120.415 120.400 -0.216 0.000 2.044 560 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 560 K C 2.044 178.613 176.600 -0.052 0.000 1.049 560 K CA 1.402 57.631 56.287 -0.096 0.000 0.945 560 K CB 0.056 32.514 32.500 -0.071 0.000 0.724 560 K HN 0.093 nan 8.250 nan 0.000 0.440 561 E N 0.198 120.371 120.200 -0.044 0.000 2.106 561 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 561 E C 0.768 177.368 176.600 0.000 0.000 0.984 561 E CA 1.012 57.410 56.400 -0.004 0.000 0.806 561 E CB 0.166 29.877 29.700 0.018 0.000 0.750 561 E HN 0.371 nan 8.360 nan 0.000 0.458 562 D N 0.084 120.478 120.400 -0.010 0.000 2.363 562 D HA 0.051 4.691 4.640 -0.000 0.000 0.214 562 D C -0.628 175.613 176.300 -0.099 0.000 1.093 562 D CA -0.005 53.985 54.000 -0.016 0.000 0.837 562 D CB 0.112 40.941 40.800 0.048 0.000 0.948 562 D HN 0.076 nan 8.370 nan 0.000 0.507 563 N N 0.626 119.265 118.700 -0.101 0.000 2.667 563 N HA -0.186 4.554 4.740 -0.000 0.000 0.263 563 N C -0.310 175.125 175.510 -0.125 0.000 1.038 563 N CA 0.564 53.529 53.050 -0.142 0.000 0.749 563 N CB -1.452 36.818 38.487 -0.360 0.000 0.892 563 N HN 0.400 nan 8.380 nan 0.000 0.546 564 C N -3.316 115.990 119.300 0.010 0.000 3.285 564 C HA 0.786 5.245 4.460 -0.000 0.000 0.320 564 C C 1.327 176.499 174.990 0.303 0.000 1.411 564 C CA -0.652 58.448 59.018 0.137 0.000 1.429 564 C CB 1.585 29.424 27.740 0.165 0.000 1.812 564 C HN 0.493 nan 8.230 nan 0.000 0.454 565 C N 0.242 119.752 119.300 0.350 0.000 2.937 565 C HA 0.474 4.933 4.460 -0.000 0.000 0.426 565 C C 0.726 175.818 174.990 0.170 0.000 1.321 565 C CA 0.653 59.874 59.018 0.338 0.000 2.082 565 C CB -0.271 27.584 27.740 0.190 0.000 2.834 565 C HN 0.959 nan 8.230 nan 0.000 0.593 566 V N 1.552 121.443 119.914 -0.039 0.000 2.864 566 V HA 0.709 4.828 4.120 -0.000 0.000 0.314 566 V C -0.602 175.124 176.094 -0.612 0.000 1.073 566 V CA -0.621 61.409 62.300 -0.450 0.000 0.956 566 V CB 1.451 33.145 31.823 -0.214 0.000 1.023 566 V HN 0.438 nan 8.190 nan 0.000 0.435 567 N N 0.951 119.131 118.700 -0.866 0.000 2.431 567 N HA 0.234 4.974 4.740 -0.000 0.000 0.289 567 N C 1.060 176.433 175.510 -0.228 0.000 1.277 567 N CA 0.251 53.043 53.050 -0.431 0.000 0.972 567 N CB -0.213 38.048 38.487 -0.377 0.000 1.143 567 N HN 0.928 nan 8.380 nan 0.000 0.578 568 T N -4.758 109.708 114.554 -0.146 0.000 3.163 568 T HA 0.023 4.373 4.350 -0.000 0.000 0.260 568 T C 0.090 174.718 174.700 -0.120 0.000 1.156 568 T CA 0.568 62.583 62.100 -0.142 0.000 1.072 568 T CB -0.412 68.386 68.868 -0.117 0.000 0.937 568 T HN 0.425 nan 8.240 nan 0.000 0.528 569 D N 1.018 121.340 120.400 -0.130 0.000 2.328 569 D HA 0.182 4.821 4.640 -0.000 0.000 0.221 569 D C 0.586 176.892 176.300 0.009 0.000 1.072 569 D CA 0.126 54.070 54.000 -0.094 0.000 0.850 569 D CB 0.133 40.772 40.800 -0.269 0.000 0.922 569 D HN 0.343 nan 8.370 nan 0.000 0.516 570 S N 0.199 115.873 115.700 -0.044 0.000 3.490 570 S HA -0.250 4.220 4.470 -0.000 0.000 0.301 570 S C 0.548 175.150 174.600 0.003 0.000 1.233 570 S CA 0.400 58.611 58.200 0.018 0.000 0.914 570 S CB -1.333 61.947 63.200 0.133 0.000 1.047 570 S HN 0.453 nan 8.310 nan 0.000 0.602 571 R N 1.287 121.673 120.500 -0.190 0.000 2.308 571 R HA 0.437 4.777 4.340 -0.000 0.000 0.305 571 R C 0.001 175.993 176.300 -0.514 0.000 1.053 571 R CA -0.366 55.424 56.100 -0.518 0.000 0.957 571 R CB 0.637 30.582 30.300 -0.591 0.000 1.022 571 R HN 0.144 nan 8.270 nan 0.000 0.461 572 V N 6.358 126.004 119.914 -0.446 0.000 2.540 572 V HA -0.026 4.093 4.120 -0.000 0.000 0.297 572 V C 0.226 176.250 176.094 -0.116 0.000 1.024 572 V CA 0.306 62.427 62.300 -0.299 0.000 1.105 572 V CB -0.175 31.459 31.823 -0.314 0.000 0.938 572 V HN 0.557 nan 8.190 nan 0.000 0.482 573 F N 3.804 123.792 119.950 0.063 0.000 2.623 573 F HA 0.384 4.910 4.527 -0.000 0.000 0.383 573 F C 1.597 177.527 175.800 0.217 0.000 1.077 573 F CA 1.513 59.576 58.000 0.105 0.000 1.268 573 F CB -0.080 38.976 39.000 0.093 0.000 1.053 573 F HN 0.791 nan 8.300 nan 0.000 0.571 574 G N 2.103 111.088 108.800 0.308 0.000 2.253 574 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.251 574 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.251 574 G C -0.083 174.755 174.900 -0.103 0.000 0.998 574 G CA -0.399 44.769 45.100 0.114 0.000 0.621 574 G HN 0.445 nan 8.290 nan 0.000 0.524 575 F N 1.071 121.045 119.950 0.039 0.000 2.427 575 F HA 0.614 5.140 4.527 -0.000 0.000 0.346 575 F C 1.393 177.175 175.800 -0.029 0.000 1.120 575 F CA -0.980 57.028 58.000 0.012 0.000 1.033 575 F CB 1.666 40.669 39.000 0.005 0.000 1.126 575 F HN -0.250 nan 8.300 nan 0.000 0.462 576 K N 1.708 122.201 120.400 0.154 0.000 2.148 576 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 576 K C 0.722 177.513 176.600 0.319 0.000 1.050 576 K CA 1.023 57.437 56.287 0.213 0.000 0.942 576 K CB -0.074 32.563 32.500 0.228 0.000 0.724 576 K HN 0.663 nan 8.250 nan 0.000 0.446 577 N N -0.095 118.755 118.700 0.250 0.000 2.387 577 N HA 0.046 4.786 4.740 -0.000 0.000 0.259 577 N C -0.744 174.836 175.510 0.117 0.000 1.369 577 N CA -0.345 52.887 53.050 0.303 0.000 0.867 577 N CB -0.103 38.633 38.487 0.416 0.000 1.341 577 N HN -0.060 nan 8.380 nan 0.000 0.495 578 L N 0.581 121.658 121.223 -0.242 0.000 2.356 578 L HA 0.723 5.063 4.340 -0.000 0.000 0.277 578 L C -1.816 174.654 176.870 -0.666 0.000 0.996 578 L CA -0.632 54.054 54.840 -0.256 0.000 0.822 578 L CB 1.012 42.919 42.059 -0.253 0.000 1.256 578 L HN -0.018 nan 8.230 nan 0.000 0.413 579 F N 4.802 124.666 119.950 -0.143 0.000 2.563 579 F HA 0.676 5.203 4.527 -0.000 0.000 0.316 579 F C -0.616 175.031 175.800 -0.254 0.000 1.076 579 F CA -0.677 57.221 58.000 -0.170 0.000 0.921 579 F CB 1.893 40.824 39.000 -0.116 0.000 1.209 579 F HN 0.196 nan 8.300 nan 0.000 0.462 580 L N 1.745 122.925 121.223 -0.073 0.000 2.346 580 L HA 0.875 5.215 4.340 -0.000 0.000 0.276 580 L C 0.007 176.877 176.870 0.000 0.000 1.006 580 L CA -0.828 53.897 54.840 -0.193 0.000 0.817 580 L CB 1.994 43.795 42.059 -0.430 0.000 1.272 580 L HN 0.785 nan 8.230 nan 0.000 0.421 581 G N 0.342 109.153 108.800 0.018 0.000 2.482 581 G HA2 0.790 4.750 3.960 -0.000 0.000 0.317 581 G HA3 0.790 4.750 3.960 -0.000 0.000 0.317 581 G C -0.483 174.535 174.900 0.197 0.000 1.241 581 G CA -0.241 44.973 45.100 0.191 0.000 0.967 581 G HN 0.965 nan 8.290 nan 0.000 0.482 582 G N -1.072 107.840 108.800 0.186 0.000 2.347 582 G HA2 0.061 4.021 3.960 -0.000 0.000 0.341 582 G HA3 0.061 4.021 3.960 -0.000 0.000 0.341 582 G C 0.745 175.693 174.900 0.080 0.000 1.287 582 G CA 0.081 45.263 45.100 0.136 0.000 0.984 582 G HN 1.129 nan 8.290 nan 0.000 0.526 583 C N 0.682 120.006 119.300 0.041 0.000 2.432 583 C HA 0.222 4.682 4.460 -0.000 0.000 0.282 583 C C 3.018 177.980 174.990 -0.048 0.000 1.388 583 C CA 1.732 60.752 59.018 0.003 0.000 1.777 583 C CB -1.310 26.463 27.740 0.055 0.000 1.882 583 C HN 1.255 nan 8.230 nan 0.000 0.520 584 G N 1.264 109.939 108.800 -0.208 0.000 2.479 584 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 584 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 584 G C 1.423 175.950 174.900 -0.620 0.000 1.115 584 G CA 0.745 45.445 45.100 -0.667 0.000 0.757 584 G HN 0.553 nan 8.290 nan 0.000 0.560 585 N N 0.375 118.925 118.700 -0.250 0.000 2.331 585 N HA 0.014 4.754 4.740 -0.000 0.000 0.180 585 N C 0.931 176.450 175.510 0.015 0.000 1.019 585 N CA 0.180 53.231 53.050 0.001 0.000 0.881 585 N CB 0.018 38.559 38.487 0.089 0.000 0.972 585 N HN 0.308 nan 8.380 nan 0.000 0.435 586 I N 3.044 123.625 120.570 0.017 0.000 2.517 586 I HA 0.027 4.196 4.170 -0.000 0.000 0.285 586 I C -1.328 174.876 176.117 0.145 0.000 1.106 586 I CA -0.955 60.387 61.300 0.070 0.000 1.402 586 I CB 1.171 39.166 38.000 -0.008 0.000 1.399 586 I HN -0.048 nan 8.210 nan 0.000 0.535 587 P HA 0.057 nan 4.420 nan 0.000 0.264 587 P C 0.294 177.680 177.300 0.143 0.000 1.259 587 P CA 0.200 63.368 63.100 0.113 0.000 0.841 587 P CB 0.193 31.920 31.700 0.044 0.000 1.232 588 T N -2.071 112.601 114.554 0.198 0.000 2.862 588 T HA 0.654 5.004 4.350 -0.000 0.000 0.276 588 T C 0.257 175.082 174.700 0.207 0.000 0.974 588 T CA -0.823 61.383 62.100 0.176 0.000 0.966 588 T CB 1.090 70.042 68.868 0.141 0.000 1.072 588 T HN 0.057 nan 8.240 nan 0.000 0.538 589 A N 1.925 124.802 122.820 0.096 0.000 2.310 589 A HA 0.594 4.914 4.320 -0.000 0.000 0.300 589 A C -0.605 176.935 177.584 -0.074 0.000 1.269 589 A CA -0.852 51.188 52.037 0.006 0.000 0.909 589 A CB -0.938 18.092 19.000 0.050 0.000 1.144 589 A HN 0.871 nan 8.150 nan 0.000 0.540 590 Y N -0.298 119.918 120.300 -0.141 0.000 2.499 590 Y HA 0.720 5.270 4.550 -0.000 0.000 0.347 590 Y C 0.726 176.516 175.900 -0.184 0.000 0.987 590 Y CA -0.714 57.122 58.100 -0.439 0.000 1.044 590 Y CB 1.422 39.371 38.460 -0.852 0.000 1.245 590 Y HN 0.376 nan 8.280 nan 0.000 0.461 591 G N 0.664 109.399 108.800 -0.109 0.000 2.673 591 G HA2 0.385 4.345 3.960 -0.000 0.000 0.208 591 G HA3 0.385 4.345 3.960 -0.000 0.000 0.208 591 G C 0.441 175.459 174.900 0.196 0.000 1.128 591 G CA 0.180 45.419 45.100 0.233 0.000 0.805 591 G HN 0.954 nan 8.290 nan 0.000 0.526 592 A N 0.775 123.538 122.820 -0.096 0.000 2.346 592 A HA 0.476 4.796 4.320 -0.000 0.000 0.252 592 A C -0.090 177.413 177.584 -0.136 0.000 1.089 592 A CA -0.471 51.392 52.037 -0.289 0.000 0.797 592 A CB 0.058 18.881 19.000 -0.294 0.000 1.047 592 A HN 0.353 nan 8.150 nan 0.000 0.494 593 N N 1.908 120.398 118.700 -0.351 0.000 2.483 593 N HA 0.254 4.993 4.740 -0.000 0.000 0.264 593 N C -2.040 173.375 175.510 -0.158 0.000 1.197 593 N CA -1.039 51.776 53.050 -0.391 0.000 0.927 593 N CB 0.419 38.752 38.487 -0.257 0.000 1.065 593 N HN 0.398 nan 8.380 nan 0.000 0.461 594 P HA -0.006 nan 4.420 nan 0.000 0.235 594 P C 0.508 177.702 177.300 -0.176 0.000 1.177 594 P CA 0.672 63.661 63.100 -0.186 0.000 0.785 594 P CB 0.280 31.843 31.700 -0.228 0.000 0.885 595 T N 1.022 115.550 114.554 -0.044 0.000 2.720 595 T HA -0.149 4.200 4.350 -0.000 0.000 0.268 595 T C 1.765 176.552 174.700 0.146 0.000 1.037 595 T CA 1.063 63.200 62.100 0.063 0.000 1.144 595 T CB -0.831 68.097 68.868 0.099 0.000 0.864 595 T HN 0.019 nan 8.240 nan 0.000 0.444 596 L N 0.975 122.298 121.223 0.167 0.000 2.083 596 L HA -0.071 4.268 4.340 -0.000 0.000 0.209 596 L C 2.534 179.481 176.870 0.128 0.000 1.083 596 L CA 1.711 56.702 54.840 0.252 0.000 0.752 596 L CB -1.024 41.162 42.059 0.211 0.000 0.899 596 L HN 0.193 nan 8.230 nan 0.000 0.433 597 T N -0.458 114.040 114.554 -0.094 0.000 2.737 597 T HA -0.137 4.213 4.350 -0.000 0.000 0.265 597 T C 1.906 176.523 174.700 -0.139 0.000 1.038 597 T CA 1.271 63.213 62.100 -0.264 0.000 1.144 597 T CB -0.486 67.818 68.868 -0.941 0.000 0.866 597 T HN 0.502 nan 8.240 nan 0.000 0.434 598 A N 1.573 124.317 122.820 -0.127 0.000 1.902 598 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 598 A C 2.325 179.878 177.584 -0.050 0.000 1.181 598 A CA 1.873 53.875 52.037 -0.059 0.000 0.623 598 A CB -0.769 18.215 19.000 -0.026 0.000 0.818 598 A HN 0.525 nan 8.150 nan 0.000 0.443 599 M N -0.245 119.333 119.600 -0.036 0.000 2.080 599 M HA -0.168 4.311 4.480 -0.000 0.000 0.260 599 M C 2.172 178.386 176.300 -0.143 0.000 1.068 599 M CA 2.227 57.478 55.300 -0.080 0.000 1.109 599 M CB -0.187 32.371 32.600 -0.071 0.000 1.342 599 M HN 0.378 nan 8.290 nan 0.000 0.405 600 S N 1.101 116.717 115.700 -0.140 0.000 2.359 600 S HA -0.134 4.335 4.470 -0.000 0.000 0.224 600 S C 1.762 176.173 174.600 -0.316 0.000 1.035 600 S CA 1.496 59.545 58.200 -0.252 0.000 1.018 600 S CB -0.561 62.449 63.200 -0.317 0.000 0.876 600 S HN 0.521 nan 8.310 nan 0.000 0.448 601 L N 1.054 122.130 121.223 -0.245 0.000 2.079 601 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 601 L C 2.788 179.525 176.870 -0.221 0.000 1.081 601 L CA 1.243 55.944 54.840 -0.231 0.000 0.752 601 L CB -0.748 41.245 42.059 -0.110 0.000 0.896 601 L HN 0.335 nan 8.230 nan 0.000 0.433 602 A N 0.281 122.965 122.820 -0.226 0.000 1.902 602 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 602 A C 2.212 179.478 177.584 -0.530 0.000 1.181 602 A CA 1.397 53.190 52.037 -0.406 0.000 0.623 602 A CB -0.590 18.191 19.000 -0.365 0.000 0.818 602 A HN 0.342 nan 8.150 nan 0.000 0.443 603 I N -0.494 119.859 120.570 -0.363 0.000 2.179 603 I HA -0.281 3.888 4.170 -0.000 0.000 0.242 603 I C 2.558 178.508 176.117 -0.278 0.000 1.088 603 I CA 1.927 63.047 61.300 -0.300 0.000 1.357 603 I CB -0.235 37.609 38.000 -0.259 0.000 1.051 603 I HN 0.394 nan 8.210 nan 0.000 0.409 604 K N 0.534 120.767 120.400 -0.279 0.000 2.057 604 K HA -0.223 4.096 4.320 -0.000 0.000 0.207 604 K C 2.356 178.862 176.600 -0.156 0.000 1.049 604 K CA 1.830 57.983 56.287 -0.224 0.000 0.931 604 K CB -0.143 32.191 32.500 -0.278 0.000 0.714 604 K HN 0.122 nan 8.250 nan 0.000 0.440 605 S N 0.037 115.625 115.700 -0.187 0.000 2.370 605 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 605 S C 2.067 176.557 174.600 -0.183 0.000 1.033 605 S CA 1.557 59.684 58.200 -0.122 0.000 1.011 605 S CB -0.525 62.633 63.200 -0.070 0.000 0.852 605 S HN 0.580 nan 8.310 nan 0.000 0.457 606 C N 1.434 120.538 119.300 -0.326 0.000 2.425 606 C HA 0.001 4.461 4.460 -0.000 0.000 0.277 606 C C 2.509 177.411 174.990 -0.148 0.000 1.280 606 C CA 0.741 59.585 59.018 -0.290 0.000 1.744 606 C CB -1.485 26.045 27.740 -0.350 0.000 1.989 606 C HN 0.685 nan 8.230 nan 0.000 0.491 607 E N -0.494 119.642 120.200 -0.106 0.000 2.058 607 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 607 E C 1.865 178.468 176.600 0.005 0.000 0.997 607 E CA 1.677 58.050 56.400 -0.046 0.000 0.801 607 E CB -0.365 29.304 29.700 -0.052 0.000 0.746 607 E HN 0.822 nan 8.360 nan 0.000 0.450 608 Y N 1.313 121.580 120.300 -0.056 0.000 2.128 608 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 608 Y C 1.993 177.928 175.900 0.058 0.000 1.154 608 Y CA 1.579 59.691 58.100 0.021 0.000 1.149 608 Y CB -0.148 38.361 38.460 0.081 0.000 0.976 608 Y HN -0.048 nan 8.280 nan 0.000 0.505 609 I N 0.272 120.874 120.570 0.053 0.000 2.226 609 I HA -0.330 3.840 4.170 -0.000 0.000 0.245 609 I C 2.241 178.414 176.117 0.093 0.000 1.100 609 I CA 1.716 63.036 61.300 0.033 0.000 1.374 609 I CB -0.399 37.393 38.000 -0.346 0.000 1.057 609 I HN 0.146 nan 8.210 nan 0.000 0.413 610 K N 0.340 120.758 120.400 0.030 0.000 2.211 610 K HA -0.156 4.163 4.320 -0.000 0.000 0.203 610 K C 1.933 178.576 176.600 0.072 0.000 1.050 610 K CA 1.014 57.387 56.287 0.143 0.000 0.945 610 K CB -0.068 32.487 32.500 0.092 0.000 0.732 610 K HN 0.433 nan 8.250 nan 0.000 0.451 611 Q N -0.261 119.512 119.800 -0.046 0.000 2.425 611 Q HA 0.077 4.417 4.340 -0.000 0.000 0.204 611 Q C 0.910 176.787 176.000 -0.206 0.000 0.933 611 Q CA 0.476 56.205 55.803 -0.123 0.000 0.939 611 Q CB 0.469 29.112 28.738 -0.158 0.000 1.044 611 Q HN 0.265 nan 8.270 nan 0.000 0.513 612 N N -1.045 117.512 118.700 -0.239 0.000 2.145 612 N HA 0.150 4.890 4.740 -0.000 0.000 0.219 612 N C -0.955 174.149 175.510 -0.676 0.000 1.266 612 N CA 0.245 53.008 53.050 -0.478 0.000 0.902 612 N CB 1.096 39.141 38.487 -0.736 0.000 1.078 612 N HN 0.000 nan 8.380 nan 0.000 0.513 613 F N 0.615 120.590 119.950 0.041 0.000 2.569 613 F HA 0.345 4.872 4.527 -0.000 0.000 0.312 613 F C 0.115 176.033 175.800 0.198 0.000 1.109 613 F CA -0.633 57.449 58.000 0.136 0.000 0.919 613 F CB 1.923 41.019 39.000 0.160 0.000 1.211 613 F HN -0.386 nan 8.300 nan 0.000 0.446 614 T N 4.259 118.975 114.554 0.270 0.000 2.799 614 T HA 0.415 4.765 4.350 -0.000 0.000 0.286 614 T C -2.496 172.231 174.700 0.044 0.000 0.973 614 T CA -1.354 60.809 62.100 0.105 0.000 1.035 614 T CB 1.085 69.978 68.868 0.042 0.000 0.932 614 T HN 0.147 nan 8.240 nan 0.000 0.469 615 P HA 0.173 nan 4.420 nan 0.000 0.269 615 P C -0.146 177.087 177.300 -0.111 0.000 1.209 615 P CA -0.531 62.347 63.100 -0.371 0.000 0.776 615 P CB 0.310 31.597 31.700 -0.689 0.000 0.876 616 S N 2.610 118.287 115.700 -0.039 0.000 2.585 616 S HA 0.338 4.808 4.470 -0.000 0.000 0.273 616 S C -2.054 172.552 174.600 0.009 0.000 1.339 616 S CA -1.019 57.182 58.200 0.002 0.000 1.028 616 S CB -0.648 62.562 63.200 0.017 0.000 0.906 616 S HN 0.346 nan 8.310 nan 0.000 0.528 617 P HA 0.177 nan 4.420 nan 0.000 0.271 617 P C -0.926 176.468 177.300 0.157 0.000 1.216 617 P CA -0.424 62.715 63.100 0.066 0.000 0.776 617 P CB 0.204 31.930 31.700 0.044 0.000 0.881 618 F N 3.166 123.100 119.950 -0.025 0.000 2.404 618 F HA 0.268 4.795 4.527 -0.000 0.000 0.359 618 F C 0.544 176.336 175.800 -0.013 0.000 1.134 618 F CA -0.648 57.342 58.000 -0.015 0.000 1.160 618 F CB -0.145 38.847 39.000 -0.013 0.000 1.186 618 F HN 0.182 nan 8.300 nan 0.000 0.526 619 T N 0.000 114.710 114.554 0.260 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.127 62.100 0.044 0.000 1.349 619 T CB 0.000 68.906 68.868 0.063 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658