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 3bg6_1_B DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFMK 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 55.279 55.300 -0.034 0.000 0.988 43 M CB 0.000 32.466 32.600 -0.224 0.000 1.302 44 D N 0.671 121.089 120.400 0.029 0.000 2.346 44 D HA 0.168 4.807 4.640 -0.001 0.000 0.236 44 D C 1.326 177.557 176.300 -0.114 0.000 1.259 44 D CA 0.240 54.165 54.000 -0.125 0.000 0.898 44 D CB 0.674 41.252 40.800 -0.369 0.000 1.178 44 D HN 0.478 nan 8.370 nan 0.000 0.457 45 I N -1.853 118.618 120.570 -0.164 0.000 3.462 45 I HA 0.152 4.322 4.170 -0.001 0.000 0.290 45 I C 0.595 176.663 176.117 -0.082 0.000 1.236 45 I CA 0.260 61.521 61.300 -0.064 0.000 1.418 45 I CB -0.538 37.442 38.000 -0.032 0.000 1.102 45 I HN 0.036 nan 8.210 nan 0.000 0.441 46 K N 0.610 120.791 120.400 -0.365 0.000 2.578 46 K HA 0.531 4.851 4.320 -0.001 0.000 0.250 46 K C -1.868 174.424 176.600 -0.514 0.000 0.955 46 K CA -0.566 55.556 56.287 -0.275 0.000 0.825 46 K CB 0.846 33.252 32.500 -0.155 0.000 1.151 46 K HN 0.047 nan 8.250 nan 0.000 0.432 47 Y N 1.199 121.503 120.300 0.006 0.000 2.602 47 Y HA 0.291 4.840 4.550 -0.001 0.000 0.342 47 Y C 0.834 176.724 175.900 -0.017 0.000 1.029 47 Y CA -0.750 57.348 58.100 -0.003 0.000 1.080 47 Y CB 1.787 40.245 38.460 -0.004 0.000 1.284 47 Y HN 0.573 nan 8.280 nan 0.000 0.485 48 D N 0.127 120.631 120.400 0.173 0.000 2.103 48 D HA 0.004 4.643 4.640 -0.001 0.000 0.199 48 D C -0.286 176.016 176.300 0.003 0.000 0.978 48 D CA 1.492 55.572 54.000 0.133 0.000 0.829 48 D CB 0.191 41.147 40.800 0.259 0.000 0.981 48 D HN 0.110 nan 8.370 nan 0.000 0.464 49 V N 1.037 120.947 119.914 -0.008 0.000 2.709 49 V HA 0.373 4.492 4.120 -0.001 0.000 0.308 49 V C -0.281 175.727 176.094 -0.143 0.000 1.062 49 V CA -1.056 61.148 62.300 -0.159 0.000 0.901 49 V CB 2.497 34.205 31.823 -0.191 0.000 1.003 49 V HN -0.008 nan 8.190 nan 0.000 0.425 50 V N 2.737 122.518 119.914 -0.221 0.000 2.513 50 V HA 0.754 4.873 4.120 -0.001 0.000 0.299 50 V C -0.614 175.426 176.094 -0.089 0.000 1.035 50 V CA -0.625 61.605 62.300 -0.117 0.000 0.889 50 V CB 1.733 33.558 31.823 0.003 0.000 0.988 50 V HN 0.690 nan 8.190 nan 0.000 0.440 51 I N 4.043 124.588 120.570 -0.042 0.000 2.418 51 I HA 0.453 4.622 4.170 -0.001 0.000 0.287 51 I C -0.568 175.577 176.117 0.047 0.000 1.008 51 I CA -0.912 60.349 61.300 -0.065 0.000 1.104 51 I CB 2.230 40.177 38.000 -0.089 0.000 1.264 51 I HN 0.443 nan 8.210 nan 0.000 0.438 52 V N 5.628 125.556 119.914 0.022 0.000 2.368 52 V HA 0.767 4.886 4.120 -0.001 0.000 0.266 52 V C 0.531 176.634 176.094 0.015 0.000 1.045 52 V CA -0.223 62.110 62.300 0.056 0.000 0.899 52 V CB 0.411 32.239 31.823 0.009 0.000 1.006 52 V HN 1.064 nan 8.190 nan 0.000 0.470 53 G N 3.950 112.776 108.800 0.044 0.000 3.069 53 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.686 53 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.686 53 G C -0.091 174.827 174.900 0.031 0.000 1.161 53 G CA -0.273 44.843 45.100 0.027 0.000 0.804 53 G HN 1.243 nan 8.290 nan 0.000 0.608 54 S N 0.929 116.650 115.700 0.036 0.000 2.651 54 S HA 0.605 5.075 4.470 -0.001 0.000 0.246 54 S C 1.318 175.933 174.600 0.025 0.000 1.039 54 S CA 0.678 58.906 58.200 0.047 0.000 1.013 54 S CB 0.677 63.919 63.200 0.070 0.000 0.861 54 S HN 1.950 nan 8.310 nan 0.000 0.485 55 G N 2.869 111.672 108.800 0.004 0.000 2.712 55 G HA2 0.339 4.298 3.960 -0.001 0.000 0.258 55 G HA3 0.339 4.298 3.960 -0.001 0.000 0.258 55 G C -1.111 173.770 174.900 -0.033 0.000 1.241 55 G CA -1.097 43.987 45.100 -0.027 0.000 0.923 55 G HN 0.255 nan 8.290 nan 0.000 0.548 56 P HA -0.059 nan 4.420 nan 0.000 0.220 56 P C 1.733 178.987 177.300 -0.077 0.000 1.148 56 P CA 0.684 63.740 63.100 -0.073 0.000 0.803 56 P CB 0.183 31.850 31.700 -0.055 0.000 0.782 57 I N 0.112 120.666 120.570 -0.026 0.000 2.277 57 I HA -0.033 4.136 4.170 -0.001 0.000 0.243 57 I C 2.692 178.871 176.117 0.103 0.000 1.094 57 I CA 1.544 62.860 61.300 0.027 0.000 1.393 57 I CB -2.280 35.759 38.000 0.066 0.000 1.078 57 I HN -0.003 nan 8.210 nan 0.000 0.417 58 G N 0.387 109.224 108.800 0.061 0.000 2.440 58 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.218 58 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.218 58 G C 1.783 176.686 174.900 0.005 0.000 1.154 58 G CA 1.081 46.206 45.100 0.042 0.000 0.767 58 G HN 0.407 nan 8.290 nan 0.000 0.552 59 C N 0.566 119.846 119.300 -0.034 0.000 2.432 59 C HA 0.025 4.484 4.460 -0.001 0.000 0.280 59 C C 3.195 178.066 174.990 -0.198 0.000 1.353 59 C CA 1.385 60.342 59.018 -0.101 0.000 1.766 59 C CB -0.985 26.746 27.740 -0.015 0.000 1.924 59 C HN 0.459 nan 8.230 nan 0.000 0.509 60 T N -0.046 114.423 114.554 -0.141 0.000 2.708 60 T HA -0.169 4.180 4.350 -0.001 0.000 0.266 60 T C 1.470 176.029 174.700 -0.235 0.000 1.037 60 T CA 1.653 63.642 62.100 -0.185 0.000 1.146 60 T CB -0.422 68.357 68.868 -0.149 0.000 0.865 60 T HN 0.566 nan 8.240 nan 0.000 0.435 61 Y N 1.434 121.598 120.300 -0.226 0.000 2.181 61 Y HA -0.038 4.512 4.550 -0.001 0.000 0.288 61 Y C 2.725 178.413 175.900 -0.354 0.000 1.146 61 Y CA 0.867 58.815 58.100 -0.254 0.000 1.164 61 Y CB -0.640 37.690 38.460 -0.218 0.000 0.982 61 Y HN 0.198 nan 8.280 nan 0.000 0.515 62 A N 0.252 122.887 122.820 -0.308 0.000 1.858 62 A HA -0.247 4.072 4.320 -0.001 0.000 0.216 62 A C 2.271 179.272 177.584 -0.971 0.000 1.190 62 A CA 1.917 53.506 52.037 -0.747 0.000 0.617 62 A CB -0.806 17.485 19.000 -1.181 0.000 0.827 62 A HN 0.433 nan 8.150 nan 0.000 0.443 63 R N -0.390 119.601 120.500 -0.848 0.000 2.096 63 R HA -0.183 4.156 4.340 -0.001 0.000 0.240 63 R C 2.094 178.184 176.300 -0.351 0.000 1.139 63 R CA 1.892 57.654 56.100 -0.564 0.000 0.952 63 R CB -0.278 29.724 30.300 -0.497 0.000 0.854 63 R HN 0.598 nan 8.270 nan 0.000 0.436 64 E N 0.344 120.369 120.200 -0.290 0.000 2.047 64 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 64 E C 2.152 178.686 176.600 -0.109 0.000 0.987 64 E CA 1.322 57.625 56.400 -0.162 0.000 0.799 64 E CB -0.080 29.521 29.700 -0.165 0.000 0.752 64 E HN 0.430 nan 8.360 nan 0.000 0.449 65 L N 0.395 121.528 121.223 -0.150 0.000 2.162 65 L HA -0.074 4.265 4.340 -0.001 0.000 0.205 65 L C 2.561 179.489 176.870 0.096 0.000 1.086 65 L CA 0.292 55.103 54.840 -0.048 0.000 0.778 65 L CB -0.341 41.584 42.059 -0.223 0.000 0.928 65 L HN -0.055 nan 8.230 nan 0.000 0.446 66 V N 0.649 120.524 119.914 -0.065 0.000 2.287 66 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 66 V C 2.639 178.767 176.094 0.057 0.000 1.053 66 V CA 2.146 64.451 62.300 0.008 0.000 1.027 66 V CB -1.339 30.420 31.823 -0.106 0.000 0.646 66 V HN 0.573 nan 8.190 nan 0.000 0.447 67 G N -0.609 108.195 108.800 0.006 0.000 2.432 67 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.219 67 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.219 67 G C 1.456 176.380 174.900 0.041 0.000 1.135 67 G CA 0.837 45.951 45.100 0.023 0.000 0.767 67 G HN 0.649 nan 8.290 nan 0.000 0.550 68 A N -0.544 122.327 122.820 0.086 0.000 2.251 68 A HA 0.501 4.820 4.320 -0.001 0.000 0.209 68 A C 1.826 179.420 177.584 0.016 0.000 1.187 68 A CA 1.170 53.266 52.037 0.098 0.000 0.823 68 A CB -0.310 18.823 19.000 0.221 0.000 0.846 68 A HN 1.542 nan 8.150 nan 0.000 0.486 69 G N -2.116 106.708 108.800 0.041 0.000 2.144 69 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.218 69 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.218 69 G C -0.136 174.725 174.900 -0.065 0.000 0.988 69 G CA 0.002 45.088 45.100 -0.023 0.000 0.659 69 G HN 0.376 nan 8.290 nan 0.000 0.522 70 Y N 0.400 120.731 120.300 0.052 0.000 2.304 70 Y HA 0.460 5.009 4.550 -0.001 0.000 0.327 70 Y C 1.066 177.015 175.900 0.083 0.000 1.209 70 Y CA -0.177 57.955 58.100 0.054 0.000 1.299 70 Y CB 0.837 39.307 38.460 0.016 0.000 1.249 70 Y HN 0.089 nan 8.280 nan 0.000 0.519 71 K N 2.904 123.440 120.400 0.226 0.000 2.292 71 K HA 0.400 4.719 4.320 -0.001 0.000 0.290 71 K C -1.540 175.205 176.600 0.241 0.000 1.083 71 K CA -0.106 56.304 56.287 0.204 0.000 0.918 71 K CB 0.001 32.587 32.500 0.142 0.000 1.089 71 K HN 0.504 nan 8.250 nan 0.000 0.473 72 V N 3.263 123.299 119.914 0.203 0.000 2.555 72 V HA 0.597 4.716 4.120 -0.001 0.000 0.302 72 V C -0.385 175.632 176.094 -0.129 0.000 1.038 72 V CA -0.936 61.423 62.300 0.097 0.000 0.887 72 V CB 1.507 33.432 31.823 0.170 0.000 0.991 72 V HN 0.888 nan 8.190 nan 0.000 0.434 73 A N 5.696 128.276 122.820 -0.400 0.000 2.350 73 A HA 0.948 5.268 4.320 -0.001 0.000 0.324 73 A C -0.674 176.591 177.584 -0.531 0.000 1.118 73 A CA -0.612 50.970 52.037 -0.759 0.000 0.783 73 A CB 1.589 19.746 19.000 -1.404 0.000 1.236 73 A HN 0.915 nan 8.150 nan 0.000 0.457 74 M N 2.206 121.414 119.600 -0.654 0.000 2.395 74 M HA 0.759 5.239 4.480 -0.001 0.000 0.307 74 M C -2.187 173.807 176.300 -0.511 0.000 1.091 74 M CA -0.445 54.652 55.300 -0.339 0.000 0.919 74 M CB 1.350 33.945 32.600 -0.009 0.000 1.662 74 M HN 0.599 nan 8.290 nan 0.000 0.440 75 F N 2.057 122.012 119.950 0.007 0.000 2.532 75 F HA 0.559 5.085 4.527 -0.001 0.000 0.321 75 F C -0.222 175.584 175.800 0.011 0.000 1.089 75 F CA -0.530 57.492 58.000 0.036 0.000 0.926 75 F CB 1.575 40.578 39.000 0.006 0.000 1.168 75 F HN 0.457 nan 8.300 nan 0.000 0.459 76 D N 2.653 123.154 120.400 0.168 0.000 2.780 76 D HA 0.252 4.891 4.640 -0.001 0.000 0.242 76 D C 0.512 176.844 176.300 0.054 0.000 1.135 76 D CA -0.343 53.707 54.000 0.083 0.000 0.859 76 D CB 2.545 43.376 40.800 0.051 0.000 1.530 76 D HN 0.648 nan 8.370 nan 0.000 0.493 77 I N 1.864 122.419 120.570 -0.025 0.000 2.614 77 I HA 0.022 4.191 4.170 -0.001 0.000 0.258 77 I C 1.146 177.232 176.117 -0.053 0.000 1.189 77 I CA 0.716 61.961 61.300 -0.092 0.000 1.462 77 I CB 0.162 37.989 38.000 -0.288 0.000 1.092 77 I HN 0.326 nan 8.210 nan 0.000 0.442 78 G N -0.086 108.701 108.800 -0.023 0.000 2.537 78 G HA2 0.419 4.378 3.960 -0.001 0.000 0.297 78 G HA3 0.419 4.378 3.960 -0.001 0.000 0.297 78 G C -0.826 174.096 174.900 0.036 0.000 1.310 78 G CA -0.412 44.697 45.100 0.015 0.000 1.027 78 G HN 0.294 nan 8.290 nan 0.000 0.505 79 E N -1.496 118.730 120.200 0.043 0.000 2.378 79 E HA 0.387 4.736 4.350 -0.001 0.000 0.265 79 E C -0.666 175.960 176.600 0.044 0.000 0.932 79 E CA -0.787 55.640 56.400 0.044 0.000 0.795 79 E CB 2.553 32.282 29.700 0.047 0.000 1.296 79 E HN 0.256 nan 8.360 nan 0.000 0.438 80 I N 2.424 123.019 120.570 0.041 0.000 2.396 80 I HA 0.069 4.238 4.170 -0.001 0.000 0.289 80 I C -0.234 175.912 176.117 0.048 0.000 1.056 80 I CA 0.440 61.765 61.300 0.042 0.000 1.365 80 I CB 0.190 38.209 38.000 0.032 0.000 1.407 80 I HN 0.540 nan 8.210 nan 0.000 0.509 81 D N 2.666 123.101 120.400 0.058 0.000 3.120 81 D HA 0.015 4.654 4.640 -0.001 0.000 0.331 81 D C -0.096 176.258 176.300 0.089 0.000 1.595 81 D CA -0.285 53.755 54.000 0.067 0.000 0.771 81 D CB -0.151 40.687 40.800 0.063 0.000 1.274 81 D HN 0.220 nan 8.370 nan 0.000 0.503 82 S N -0.172 115.584 115.700 0.093 0.000 2.663 82 S HA 0.647 5.117 4.470 -0.001 0.000 0.243 82 S C 0.842 175.516 174.600 0.124 0.000 1.009 82 S CA 0.067 58.341 58.200 0.125 0.000 0.988 82 S CB 0.852 64.128 63.200 0.125 0.000 0.896 82 S HN 0.905 nan 8.310 nan 0.000 0.502 83 G N 1.203 110.063 108.800 0.099 0.000 2.610 83 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.304 83 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.304 83 G C 0.118 175.057 174.900 0.064 0.000 1.309 83 G CA -0.544 44.609 45.100 0.088 0.000 0.906 83 G HN 0.247 nan 8.290 nan 0.000 0.521 84 L N 0.092 121.347 121.223 0.052 0.000 2.478 84 L HA 0.151 4.490 4.340 -0.001 0.000 0.223 84 L C 1.415 178.301 176.870 0.026 0.000 1.140 84 L CA 0.813 55.672 54.840 0.032 0.000 0.842 84 L CB -0.292 41.780 42.059 0.021 0.000 0.953 84 L HN 0.292 nan 8.230 nan 0.000 0.452 85 K N 1.713 122.140 120.400 0.044 0.000 2.263 85 K HA 0.360 4.680 4.320 -0.001 0.000 0.282 85 K C -0.311 176.316 176.600 0.044 0.000 1.089 85 K CA -0.265 56.044 56.287 0.037 0.000 0.907 85 K CB 1.174 33.709 32.500 0.059 0.000 1.148 85 K HN 0.068 nan 8.250 nan 0.000 0.470 86 I N 1.895 122.475 120.570 0.017 0.000 2.556 86 I HA -0.037 4.132 4.170 -0.001 0.000 0.284 86 I C 1.331 177.471 176.117 0.038 0.000 1.114 86 I CA 0.743 62.058 61.300 0.025 0.000 1.418 86 I CB 0.524 38.528 38.000 0.007 0.000 1.394 86 I HN 0.978 nan 8.210 nan 0.000 0.552 87 G N 4.242 113.076 108.800 0.057 0.000 2.148 87 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.254 87 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.254 87 G C 0.311 175.264 174.900 0.089 0.000 0.981 87 G CA 0.066 45.202 45.100 0.061 0.000 0.670 87 G HN 0.952 nan 8.290 nan 0.000 0.528 88 A N -0.380 122.509 122.820 0.116 0.000 2.259 88 A HA 0.634 4.953 4.320 -0.001 0.000 0.278 88 A C 0.540 178.257 177.584 0.221 0.000 1.107 88 A CA -0.295 51.849 52.037 0.179 0.000 0.828 88 A CB 0.288 19.395 19.000 0.178 0.000 1.111 88 A HN 0.600 nan 8.150 nan 0.000 0.498 89 H N 0.389 119.601 119.070 0.237 0.000 2.848 89 H HA 0.111 4.666 4.556 -0.001 0.000 0.317 89 H C 0.703 176.177 175.328 0.242 0.000 1.046 89 H CA 0.673 56.878 56.048 0.263 0.000 1.470 89 H CB 0.843 30.781 29.762 0.292 0.000 1.483 89 H HN 0.666 nan 8.280 nan 0.000 0.548 90 K N 3.443 124.053 120.400 0.351 0.000 2.362 90 K HA -0.102 4.217 4.320 -0.001 0.000 0.200 90 K C 1.647 178.543 176.600 0.493 0.000 1.046 90 K CA 0.645 57.205 56.287 0.454 0.000 0.952 90 K CB 0.360 33.128 32.500 0.447 0.000 0.753 90 K HN 0.413 nan 8.250 nan 0.000 0.466 91 K N 0.987 121.558 120.400 0.284 0.000 2.459 91 K HA 0.006 4.325 4.320 -0.001 0.000 0.193 91 K C 0.243 176.892 176.600 0.082 0.000 1.030 91 K CA 0.337 56.465 56.287 -0.265 0.000 1.026 91 K CB 0.275 32.156 32.500 -1.033 0.000 0.809 91 K HN 0.004 nan 8.250 nan 0.000 0.504 92 N N 1.894 120.748 118.700 0.256 0.000 2.623 92 N HA -0.016 4.723 4.740 -0.001 0.000 0.263 92 N C -0.717 175.070 175.510 0.462 0.000 1.218 92 N CA 0.279 53.514 53.050 0.308 0.000 0.949 92 N CB 0.699 39.409 38.487 0.371 0.000 1.270 92 N HN 0.249 nan 8.380 nan 0.000 0.507 93 T N -4.460 110.339 114.554 0.408 0.000 2.912 93 T HA 0.351 4.701 4.350 -0.001 0.000 0.288 93 T C 1.443 176.365 174.700 0.371 0.000 1.030 93 T CA -0.764 61.555 62.100 0.364 0.000 1.020 93 T CB 1.613 70.637 68.868 0.261 0.000 1.056 93 T HN -0.188 nan 8.240 nan 0.000 0.480 94 V N 1.242 121.331 119.914 0.293 0.000 2.332 94 V HA -0.113 4.006 4.120 -0.001 0.000 0.248 94 V C 2.805 178.983 176.094 0.141 0.000 1.055 94 V CA 2.358 64.806 62.300 0.247 0.000 1.038 94 V CB -0.998 30.900 31.823 0.126 0.000 0.651 94 V HN 1.031 nan 8.190 nan 0.000 0.450 95 E N -0.371 119.851 120.200 0.037 0.000 2.077 95 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 95 E C 1.969 178.521 176.600 -0.080 0.000 0.989 95 E CA 1.601 57.953 56.400 -0.081 0.000 0.800 95 E CB -0.292 29.275 29.700 -0.222 0.000 0.746 95 E HN 0.698 nan 8.360 nan 0.000 0.452 96 Y N 0.491 120.875 120.300 0.140 0.000 2.457 96 Y HA 0.024 4.573 4.550 -0.001 0.000 0.292 96 Y C 2.071 178.008 175.900 0.061 0.000 1.125 96 Y CA 0.850 59.023 58.100 0.121 0.000 1.254 96 Y CB 0.033 38.579 38.460 0.143 0.000 1.012 96 Y HN 0.124 nan 8.280 nan 0.000 0.555 97 Q N -0.024 119.886 119.800 0.183 0.000 2.331 97 Q HA -0.074 4.265 4.340 -0.001 0.000 0.203 97 Q C 1.675 177.743 176.000 0.114 0.000 0.944 97 Q CA 0.773 56.636 55.803 0.100 0.000 0.892 97 Q CB 0.040 28.796 28.738 0.029 0.000 0.983 97 Q HN 0.501 nan 8.270 nan 0.000 0.482 98 K N 0.599 121.069 120.400 0.117 0.000 2.186 98 K HA 0.044 4.363 4.320 -0.001 0.000 0.202 98 K C 0.486 177.141 176.600 0.092 0.000 1.052 98 K CA 0.514 56.855 56.287 0.090 0.000 0.965 98 K CB 0.367 32.907 32.500 0.067 0.000 0.746 98 K HN 0.108 nan 8.250 nan 0.000 0.457 99 N N 1.611 120.383 118.700 0.121 0.000 2.886 99 N HA 0.045 4.784 4.740 -0.001 0.000 0.285 99 N C 0.343 175.986 175.510 0.222 0.000 1.706 99 N CA 0.019 53.155 53.050 0.143 0.000 0.904 99 N CB 1.139 39.697 38.487 0.118 0.000 1.224 99 N HN 0.064 nan 8.380 nan 0.000 0.488 100 I N 0.559 121.243 120.570 0.190 0.000 2.493 100 I HA -0.163 4.006 4.170 -0.001 0.000 0.254 100 I C 0.727 176.973 176.117 0.215 0.000 1.160 100 I CA 1.428 62.845 61.300 0.195 0.000 1.445 100 I CB 0.138 38.212 38.000 0.122 0.000 1.086 100 I HN 0.119 nan 8.210 nan 0.000 0.433 101 D N 1.078 121.601 120.400 0.206 0.000 2.310 101 D HA -0.141 4.498 4.640 -0.001 0.000 0.212 101 D C 1.927 178.325 176.300 0.163 0.000 0.965 101 D CA 0.553 54.668 54.000 0.192 0.000 0.879 101 D CB 0.016 40.959 40.800 0.238 0.000 0.921 101 D HN 0.307 nan 8.370 nan 0.000 0.510 102 K N 0.124 120.662 120.400 0.229 0.000 2.283 102 K HA -0.087 4.233 4.320 -0.001 0.000 0.202 102 K C 1.757 178.467 176.600 0.183 0.000 1.048 102 K CA 0.037 56.468 56.287 0.239 0.000 0.948 102 K CB -0.457 32.257 32.500 0.357 0.000 0.742 102 K HN 0.220 nan 8.250 nan 0.000 0.458 103 F N 1.540 121.474 119.950 -0.027 0.000 2.333 103 F HA -0.173 4.354 4.527 -0.001 0.000 0.300 103 F C 1.796 177.474 175.800 -0.202 0.000 1.083 103 F CA 0.569 58.387 58.000 -0.302 0.000 1.395 103 F CB -0.023 38.769 39.000 -0.347 0.000 1.056 103 F HN -0.287 nan 8.300 nan 0.000 0.529 104 V N 0.304 120.141 119.914 -0.129 0.000 2.469 104 V HA -0.360 3.759 4.120 -0.001 0.000 0.251 104 V C 1.821 177.733 176.094 -0.303 0.000 1.064 104 V CA 2.358 64.526 62.300 -0.219 0.000 1.066 104 V CB -1.054 30.650 31.823 -0.197 0.000 0.667 104 V HN 0.369 nan 8.190 nan 0.000 0.461 105 N N 0.026 118.577 118.700 -0.248 0.000 2.188 105 N HA -0.125 4.615 4.740 -0.001 0.000 0.184 105 N C 1.693 177.022 175.510 -0.301 0.000 1.018 105 N CA 1.250 54.171 53.050 -0.215 0.000 0.858 105 N CB -0.306 38.119 38.487 -0.103 0.000 0.989 105 N HN 0.322 nan 8.380 nan 0.000 0.426 106 V N 1.390 121.006 119.914 -0.496 0.000 2.255 106 V HA -0.241 3.878 4.120 -0.001 0.000 0.247 106 V C 2.062 177.818 176.094 -0.563 0.000 1.051 106 V CA 1.513 63.458 62.300 -0.592 0.000 1.018 106 V CB -0.567 30.594 31.823 -1.104 0.000 0.641 106 V HN 0.295 nan 8.190 nan 0.000 0.445 107 I N -0.203 119.932 120.570 -0.725 0.000 2.118 107 I HA -0.375 3.794 4.170 -0.001 0.000 0.241 107 I C 2.734 178.597 176.117 -0.423 0.000 1.070 107 I CA 1.968 62.894 61.300 -0.623 0.000 1.327 107 I CB -0.522 37.151 38.000 -0.546 0.000 1.034 107 I HN 0.366 nan 8.210 nan 0.000 0.405 108 Q N 0.367 119.975 119.800 -0.319 0.000 2.181 108 Q HA -0.155 4.185 4.340 -0.001 0.000 0.205 108 Q C 2.311 178.213 176.000 -0.163 0.000 0.980 108 Q CA 1.496 57.169 55.803 -0.217 0.000 0.862 108 Q CB -0.457 28.168 28.738 -0.187 0.000 0.905 108 Q HN 0.680 nan 8.270 nan 0.000 0.429 109 G N 1.301 110.000 108.800 -0.169 0.000 2.471 109 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.219 109 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.219 109 G C 0.993 175.848 174.900 -0.076 0.000 1.125 109 G CA 0.612 45.648 45.100 -0.107 0.000 0.775 109 G HN 0.478 nan 8.290 nan 0.000 0.548 110 Q N -0.603 119.137 119.800 -0.100 0.000 2.141 110 Q HA 0.473 4.812 4.340 -0.001 0.000 0.248 110 Q C -0.400 175.592 176.000 -0.014 0.000 0.834 110 Q CA -0.279 55.505 55.803 -0.031 0.000 1.096 110 Q CB 0.215 28.961 28.738 0.014 0.000 1.189 110 Q HN 0.243 nan 8.270 nan 0.000 0.471 111 L N 1.837 123.030 121.223 -0.050 0.000 2.319 111 L HA 0.544 4.884 4.340 -0.001 0.000 0.281 111 L C -1.015 175.858 176.870 0.005 0.000 1.005 111 L CA -0.900 53.932 54.840 -0.015 0.000 0.828 111 L CB 1.600 43.619 42.059 -0.067 0.000 1.227 111 L HN 0.204 nan 8.230 nan 0.000 0.415 112 M N 2.197 121.825 119.600 0.046 0.000 2.149 112 M HA 0.295 4.774 4.480 -0.001 0.000 0.342 112 M C 0.162 176.497 176.300 0.058 0.000 1.068 112 M CA -0.323 55.008 55.300 0.052 0.000 0.991 112 M CB 1.641 34.292 32.600 0.085 0.000 1.596 112 M HN 0.309 nan 8.290 nan 0.000 0.439 113 S N 1.868 117.589 115.700 0.035 0.000 2.575 113 S HA 0.057 4.526 4.470 -0.001 0.000 0.295 113 S C 1.598 176.231 174.600 0.054 0.000 1.267 113 S CA -0.486 57.735 58.200 0.034 0.000 1.074 113 S CB 0.325 63.533 63.200 0.012 0.000 0.829 113 S HN 0.587 nan 8.310 nan 0.000 0.497 114 V N 2.779 122.738 119.914 0.075 0.000 2.261 114 V HA -0.055 4.064 4.120 -0.001 0.000 0.246 114 V C 1.290 177.387 176.094 0.004 0.000 1.047 114 V CA 1.694 64.032 62.300 0.063 0.000 1.015 114 V CB -0.189 31.710 31.823 0.127 0.000 0.642 114 V HN 0.814 nan 8.190 nan 0.000 0.446 115 S N -0.721 114.999 115.700 0.033 0.000 2.750 115 S HA 0.521 4.990 4.470 -0.001 0.000 0.276 115 S C -1.147 173.452 174.600 -0.003 0.000 1.165 115 S CA -0.506 57.676 58.200 -0.029 0.000 1.047 115 S CB 1.476 64.612 63.200 -0.106 0.000 1.056 115 S HN 0.027 nan 8.310 nan 0.000 0.481 116 V N 7.775 127.674 119.914 -0.025 0.000 2.357 116 V HA 0.550 4.669 4.120 -0.001 0.000 0.284 116 V C -1.969 174.103 176.094 -0.036 0.000 1.018 116 V CA -1.821 60.464 62.300 -0.024 0.000 0.841 116 V CB 1.418 33.227 31.823 -0.024 0.000 0.991 116 V HN 0.712 nan 8.190 nan 0.000 0.437 117 P HA 0.146 nan 4.420 nan 0.000 0.272 117 P C -0.095 177.176 177.300 -0.049 0.000 1.240 117 P CA -0.084 62.992 63.100 -0.040 0.000 0.791 117 P CB 0.881 32.559 31.700 -0.038 0.000 0.978 118 V N 2.343 122.231 119.914 -0.044 0.000 2.694 118 V HA -0.057 4.062 4.120 -0.001 0.000 0.306 118 V C 1.304 177.342 176.094 -0.093 0.000 1.054 118 V CA 0.276 62.545 62.300 -0.051 0.000 1.161 118 V CB -0.680 31.134 31.823 -0.015 0.000 0.916 118 V HN 0.637 nan 8.190 nan 0.000 0.490 119 N N 3.486 122.126 118.700 -0.101 0.000 2.458 119 N HA 0.110 4.849 4.740 -0.001 0.000 0.270 119 N C 0.525 175.879 175.510 -0.260 0.000 1.102 119 N CA 0.309 53.278 53.050 -0.135 0.000 0.967 119 N CB 1.564 40.000 38.487 -0.085 0.000 1.078 119 N HN 0.868 nan 8.380 nan 0.000 0.471 120 T N 1.036 115.331 114.554 -0.432 0.000 3.296 120 T HA 0.276 4.625 4.350 -0.001 0.000 0.285 120 T C 0.773 175.117 174.700 -0.594 0.000 1.014 120 T CA -0.464 61.021 62.100 -1.024 0.000 0.920 120 T CB -0.434 67.872 68.868 -0.937 0.000 1.143 120 T HN 0.278 nan 8.240 nan 0.000 0.522 121 L N 1.983 123.078 121.223 -0.213 0.000 2.416 121 L HA 0.376 4.715 4.340 -0.001 0.000 0.272 121 L C 0.004 176.941 176.870 0.113 0.000 1.161 121 L CA -0.740 54.074 54.840 -0.044 0.000 0.845 121 L CB 0.999 43.045 42.059 -0.022 0.000 1.119 121 L HN 0.096 nan 8.230 nan 0.000 0.464 122 V N 4.862 124.849 119.914 0.122 0.000 2.385 122 V HA 0.157 4.276 4.120 -0.001 0.000 0.269 122 V C 0.206 176.362 176.094 0.103 0.000 1.043 122 V CA -0.472 61.936 62.300 0.179 0.000 0.906 122 V CB 1.493 33.404 31.823 0.146 0.000 0.995 122 V HN 0.412 nan 8.190 nan 0.000 0.467 123 V N 5.488 125.461 119.914 0.098 0.000 2.294 123 V HA 0.304 4.423 4.120 -0.001 0.000 0.272 123 V C 0.307 176.429 176.094 0.046 0.000 1.027 123 V CA -0.422 61.916 62.300 0.063 0.000 0.823 123 V CB 1.190 33.051 31.823 0.064 0.000 1.030 123 V HN 1.065 nan 8.190 nan 0.000 0.457 124 D N 1.926 122.347 120.400 0.035 0.000 2.462 124 D HA 0.004 4.643 4.640 -0.001 0.000 0.221 124 D C 1.198 177.507 176.300 0.014 0.000 1.173 124 D CA 0.234 54.246 54.000 0.019 0.000 0.831 124 D CB 0.362 41.172 40.800 0.017 0.000 1.001 124 D HN 0.545 nan 8.370 nan 0.000 0.499 125 T N -1.994 112.572 114.554 0.019 0.000 3.215 125 T HA 0.313 4.662 4.350 -0.001 0.000 0.271 125 T C 0.712 175.424 174.700 0.019 0.000 1.012 125 T CA -0.563 61.547 62.100 0.016 0.000 0.899 125 T CB -0.285 68.593 68.868 0.017 0.000 1.089 125 T HN 0.025 nan 8.240 nan 0.000 0.552 126 L N 2.061 123.297 121.223 0.021 0.000 2.483 126 L HA 0.250 4.589 4.340 -0.001 0.000 0.275 126 L C 1.154 178.034 176.870 0.018 0.000 1.220 126 L CA -0.431 54.425 54.840 0.026 0.000 0.833 126 L CB 0.333 42.412 42.059 0.033 0.000 1.102 126 L HN 0.258 nan 8.230 nan 0.000 0.490 127 S N 1.935 117.649 115.700 0.023 0.000 2.560 127 S HA 0.093 4.562 4.470 -0.001 0.000 0.284 127 S C -1.401 173.205 174.600 0.011 0.000 1.327 127 S CA -1.050 57.160 58.200 0.018 0.000 1.055 127 S CB 0.821 64.034 63.200 0.023 0.000 0.868 127 S HN 0.392 nan 8.310 nan 0.000 0.506 128 P HA -0.100 nan 4.420 nan 0.000 0.220 128 P C 1.302 178.601 177.300 -0.001 0.000 1.144 128 P CA 1.420 64.516 63.100 -0.007 0.000 0.800 128 P CB -0.144 31.551 31.700 -0.008 0.000 0.772 129 T N -5.926 108.636 114.554 0.014 0.000 3.067 129 T HA 0.100 4.449 4.350 -0.001 0.000 0.261 129 T C 1.004 175.733 174.700 0.049 0.000 1.110 129 T CA 0.041 62.156 62.100 0.025 0.000 1.113 129 T CB -0.528 68.356 68.868 0.028 0.000 0.917 129 T HN -0.099 nan 8.240 nan 0.000 0.499 130 S N 1.419 117.153 115.700 0.056 0.000 2.564 130 S HA 0.263 4.732 4.470 -0.001 0.000 0.278 130 S C -0.554 174.126 174.600 0.133 0.000 1.333 130 S CA -0.974 57.289 58.200 0.105 0.000 1.048 130 S CB 0.112 63.370 63.200 0.097 0.000 0.900 130 S HN 0.589 nan 8.310 nan 0.000 0.505 131 W N 3.210 124.517 121.300 0.012 0.000 2.322 131 W HA 0.155 4.814 4.660 -0.001 0.000 0.328 131 W C 0.312 176.846 176.519 0.025 0.000 1.395 131 W CA 0.395 57.747 57.345 0.012 0.000 1.267 131 W CB 0.155 29.623 29.460 0.013 0.000 1.259 131 W HN 0.541 nan 8.180 nan 0.000 0.560 132 Q N 4.810 124.308 119.800 -0.504 0.000 2.347 132 Q HA 0.606 4.946 4.340 -0.001 0.000 0.271 132 Q C -0.661 174.899 176.000 -0.733 0.000 1.064 132 Q CA -0.899 54.689 55.803 -0.358 0.000 0.800 132 Q CB 1.829 30.424 28.738 -0.238 0.000 1.304 132 Q HN 0.589 nan 8.270 nan 0.000 0.438 133 A N 1.976 124.601 122.820 -0.326 0.000 2.407 133 A HA 0.282 4.601 4.320 -0.001 0.000 0.248 133 A C 0.418 177.847 177.584 -0.259 0.000 1.082 133 A CA -0.036 51.876 52.037 -0.209 0.000 0.785 133 A CB 0.698 19.804 19.000 0.176 0.000 1.020 133 A HN 0.872 nan 8.150 nan 0.000 0.489 134 S N -0.388 115.176 115.700 -0.226 0.000 2.492 134 S HA 0.102 4.572 4.470 -0.001 0.000 0.218 134 S C 0.915 175.409 174.600 -0.177 0.000 1.016 134 S CA 0.855 58.939 58.200 -0.193 0.000 0.916 134 S CB -0.039 63.063 63.200 -0.163 0.000 0.791 134 S HN 1.093 nan 8.310 nan 0.000 0.513 135 T N -1.235 113.256 114.554 -0.105 0.000 2.887 135 T HA 0.650 4.999 4.350 -0.001 0.000 0.292 135 T C -0.901 173.757 174.700 -0.071 0.000 1.087 135 T CA -0.738 61.299 62.100 -0.105 0.000 1.009 135 T CB 0.764 69.671 68.868 0.063 0.000 1.203 135 T HN -0.081 nan 8.240 nan 0.000 0.518 136 F N 2.961 122.994 119.950 0.138 0.000 2.541 136 F HA 0.387 4.913 4.527 -0.001 0.000 0.351 136 F C 0.379 176.225 175.800 0.076 0.000 1.209 136 F CA -1.911 56.126 58.000 0.062 0.000 1.277 136 F CB -0.936 38.073 39.000 0.016 0.000 1.632 136 F HN 0.557 nan 8.300 nan 0.000 0.619 137 F N -0.670 119.382 119.950 0.170 0.000 2.390 137 F HA 0.567 5.093 4.527 -0.001 0.000 0.307 137 F C -0.052 175.818 175.800 0.118 0.000 1.227 137 F CA -1.638 56.439 58.000 0.127 0.000 1.179 137 F CB -0.194 38.872 39.000 0.110 0.000 1.280 137 F HN -0.169 nan 8.300 nan 0.000 0.548 138 V N 2.842 122.882 119.914 0.211 0.000 2.415 138 V HA 0.296 4.415 4.120 -0.001 0.000 0.267 138 V C 0.116 176.222 176.094 0.021 0.000 1.042 138 V CA -0.105 62.240 62.300 0.073 0.000 1.000 138 V CB -0.710 31.182 31.823 0.115 0.000 1.015 138 V HN 0.702 nan 8.190 nan 0.000 0.478 139 R N 3.815 124.221 120.500 -0.156 0.000 2.807 139 R HA 0.486 4.826 4.340 -0.001 0.000 0.276 139 R C 0.254 176.506 176.300 -0.080 0.000 0.979 139 R CA -0.939 55.052 56.100 -0.182 0.000 0.928 139 R CB 1.200 31.264 30.300 -0.393 0.000 1.191 139 R HN 0.665 nan 8.270 nan 0.000 0.471 140 N N 0.654 119.330 118.700 -0.040 0.000 2.708 140 N HA -0.199 4.540 4.740 -0.001 0.000 0.249 140 N C 0.448 175.943 175.510 -0.024 0.000 1.097 140 N CA 1.574 54.605 53.050 -0.031 0.000 0.710 140 N CB -1.132 37.329 38.487 -0.043 0.000 1.032 140 N HN 1.080 nan 8.380 nan 0.000 0.551 141 G N -1.736 107.056 108.800 -0.014 0.000 2.148 141 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.254 141 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.254 141 G C 0.299 175.191 174.900 -0.014 0.000 0.981 141 G CA 0.849 45.944 45.100 -0.008 0.000 0.670 141 G HN 1.279 nan 8.290 nan 0.000 0.528 142 S N -0.620 115.065 115.700 -0.024 0.000 2.584 142 S HA 0.453 4.922 4.470 -0.001 0.000 0.270 142 S C 0.171 174.757 174.600 -0.024 0.000 1.346 142 S CA 0.087 58.269 58.200 -0.030 0.000 1.018 142 S CB 1.737 64.911 63.200 -0.043 0.000 0.899 142 S HN 0.678 nan 8.310 nan 0.000 0.542 143 N N 1.932 120.610 118.700 -0.036 0.000 2.546 143 N HA 0.364 5.104 4.740 -0.001 0.000 0.238 143 N C -1.761 173.728 175.510 -0.036 0.000 0.984 143 N CA -2.546 50.475 53.050 -0.050 0.000 0.935 143 N CB 1.286 39.715 38.487 -0.097 0.000 1.122 143 N HN 0.351 nan 8.380 nan 0.000 0.510 144 P HA -0.045 nan 4.420 nan 0.000 0.230 144 P C 0.323 177.637 177.300 0.024 0.000 1.158 144 P CA 0.812 63.923 63.100 0.018 0.000 0.769 144 P CB 0.572 32.300 31.700 0.046 0.000 0.807 145 E N -0.164 120.034 120.200 -0.004 0.000 2.347 145 E HA -0.103 4.247 4.350 -0.001 0.000 0.196 145 E C 0.901 177.497 176.600 -0.006 0.000 1.008 145 E CA 0.597 57.010 56.400 0.022 0.000 0.852 145 E CB -0.148 29.505 29.700 -0.079 0.000 0.783 145 E HN 0.303 nan 8.360 nan 0.000 0.505 146 Q N 2.253 122.016 119.800 -0.062 0.000 2.307 146 Q HA 0.020 4.359 4.340 -0.001 0.000 0.259 146 Q C -0.803 175.199 176.000 0.002 0.000 0.998 146 Q CA -0.160 55.607 55.803 -0.060 0.000 0.923 146 Q CB 0.702 29.392 28.738 -0.079 0.000 1.196 146 Q HN -0.186 nan 8.270 nan 0.000 0.416 147 D N 6.147 126.570 120.400 0.038 0.000 2.382 147 D HA 0.029 4.668 4.640 -0.001 0.000 0.259 147 D C -1.677 174.637 176.300 0.023 0.000 1.224 147 D CA -1.739 52.286 54.000 0.041 0.000 0.894 147 D CB 1.229 42.068 40.800 0.064 0.000 1.127 147 D HN 0.438 nan 8.370 nan 0.000 0.487 148 P HA -0.078 nan 4.420 nan 0.000 0.225 148 P C 1.215 178.516 177.300 0.002 0.000 1.148 148 P CA 0.643 63.740 63.100 -0.006 0.000 0.779 148 P CB 0.326 32.010 31.700 -0.026 0.000 0.780 149 L N -1.202 120.026 121.223 0.009 0.000 2.607 149 L HA 0.198 4.537 4.340 -0.001 0.000 0.228 149 L C 1.492 178.376 176.870 0.024 0.000 1.123 149 L CA 0.183 55.030 54.840 0.011 0.000 0.890 149 L CB -0.069 41.994 42.059 0.005 0.000 1.103 149 L HN -0.174 nan 8.230 nan 0.000 0.468 150 R N -0.148 120.376 120.500 0.040 0.000 2.734 150 R HA 0.211 4.551 4.340 -0.001 0.000 0.395 150 R C -0.397 175.961 176.300 0.097 0.000 1.096 150 R CA -0.252 55.886 56.100 0.063 0.000 1.071 150 R CB 0.360 30.701 30.300 0.069 0.000 1.348 150 R HN 0.058 nan 8.270 nan 0.000 0.600 151 N N 0.519 119.253 118.700 0.057 0.000 2.483 151 N HA 0.374 5.113 4.740 -0.001 0.000 0.285 151 N C -0.720 174.710 175.510 -0.133 0.000 1.210 151 N CA -0.617 52.451 53.050 0.030 0.000 0.931 151 N CB 1.229 39.730 38.487 0.023 0.000 1.220 151 N HN 0.071 nan 8.380 nan 0.000 0.542 152 L N 2.036 123.032 121.223 -0.379 0.000 2.494 152 L HA 0.212 4.551 4.340 -0.001 0.000 0.251 152 L C 1.369 178.061 176.870 -0.296 0.000 1.119 152 L CA -0.267 54.220 54.840 -0.588 0.000 1.026 152 L CB 0.463 41.768 42.059 -1.257 0.000 1.370 152 L HN 0.645 nan 8.230 nan 0.000 0.426 153 S N -0.422 115.196 115.700 -0.138 0.000 2.419 153 S HA -0.114 4.355 4.470 -0.001 0.000 0.233 153 S C 1.765 176.328 174.600 -0.062 0.000 1.016 153 S CA 0.991 59.154 58.200 -0.062 0.000 0.974 153 S CB -0.157 63.019 63.200 -0.041 0.000 0.786 153 S HN 0.630 nan 8.310 nan 0.000 0.492 154 G N 0.410 109.156 108.800 -0.090 0.000 2.712 154 G HA2 0.089 4.048 3.960 -0.001 0.000 0.212 154 G HA3 0.089 4.048 3.960 -0.001 0.000 0.212 154 G C 0.540 175.401 174.900 -0.066 0.000 1.142 154 G CA -0.326 44.732 45.100 -0.070 0.000 0.789 154 G HN 0.369 nan 8.290 nan 0.000 0.535 155 Q N 0.713 120.453 119.800 -0.100 0.000 2.300 155 Q HA 0.453 4.792 4.340 -0.001 0.000 0.280 155 Q C -0.085 175.937 176.000 0.036 0.000 1.033 155 Q CA 0.315 56.089 55.803 -0.050 0.000 0.903 155 Q CB 1.260 29.941 28.738 -0.095 0.000 1.195 155 Q HN 0.299 nan 8.270 nan 0.000 0.386 156 A N 2.247 125.098 122.820 0.051 0.000 2.594 156 A HA 0.756 5.076 4.320 -0.001 0.000 0.291 156 A C -0.939 176.703 177.584 0.097 0.000 1.105 156 A CA -0.596 51.481 52.037 0.066 0.000 0.694 156 A CB 1.466 20.488 19.000 0.037 0.000 1.291 156 A HN 0.473 nan 8.150 nan 0.000 0.410 157 V N -1.993 117.992 119.914 0.118 0.000 2.914 157 V HA 0.924 5.043 4.120 -0.001 0.000 0.314 157 V C -0.432 175.751 176.094 0.149 0.000 1.084 157 V CA -0.497 61.897 62.300 0.157 0.000 0.963 157 V CB 1.602 33.570 31.823 0.242 0.000 1.025 157 V HN 0.842 nan 8.190 nan 0.000 0.432 158 T N 3.146 117.791 114.554 0.151 0.000 2.792 158 T HA 0.561 4.911 4.350 -0.001 0.000 0.280 158 T C -0.235 174.519 174.700 0.090 0.000 0.990 158 T CA -0.439 61.740 62.100 0.130 0.000 0.960 158 T CB 0.983 69.951 68.868 0.168 0.000 0.939 158 T HN 0.757 nan 8.240 nan 0.000 0.439 159 R N 2.709 123.249 120.500 0.067 0.000 2.396 159 R HA 0.578 4.918 4.340 -0.001 0.000 0.292 159 R C -0.661 175.659 176.300 0.035 0.000 1.240 159 R CA -0.551 55.562 56.100 0.022 0.000 1.270 159 R CB 0.674 30.965 30.300 -0.016 0.000 1.108 159 R HN 0.522 nan 8.270 nan 0.000 0.573 160 V N -1.868 118.067 119.914 0.035 0.000 3.178 160 V HA 0.450 4.569 4.120 -0.001 0.000 0.302 160 V C -0.063 176.051 176.094 0.034 0.000 1.262 160 V CA -1.145 61.180 62.300 0.041 0.000 1.030 160 V CB 1.927 33.782 31.823 0.054 0.000 1.074 160 V HN 0.099 nan 8.190 nan 0.000 0.438 161 V N 3.044 122.981 119.914 0.038 0.000 2.673 161 V HA 0.504 4.623 4.120 -0.001 0.000 0.303 161 V C 1.767 177.881 176.094 0.034 0.000 1.046 161 V CA 1.864 64.188 62.300 0.039 0.000 1.126 161 V CB 0.189 32.038 31.823 0.044 0.000 0.934 161 V HN 2.152 nan 8.190 nan 0.000 0.487 162 G N 3.135 111.951 108.800 0.027 0.000 2.199 162 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.254 162 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.254 162 G C 1.038 175.914 174.900 -0.039 0.000 0.982 162 G CA 0.382 45.485 45.100 0.005 0.000 0.632 162 G HN 2.150 nan 8.290 nan 0.000 0.529 163 G N 0.078 108.865 108.800 -0.022 0.000 2.594 163 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.297 163 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.297 163 G C 1.183 176.025 174.900 -0.097 0.000 1.273 163 G CA 1.311 46.389 45.100 -0.036 0.000 0.974 163 G HN 1.098 nan 8.290 nan 0.000 0.552 164 M N 1.591 121.094 119.600 -0.161 0.000 2.557 164 M HA 0.010 4.489 4.480 -0.001 0.000 0.259 164 M C 2.705 178.658 176.300 -0.577 0.000 1.086 164 M CA 1.637 56.703 55.300 -0.390 0.000 1.096 164 M CB -0.177 32.291 32.600 -0.220 0.000 1.424 164 M HN 0.705 nan 8.290 nan 0.000 0.488 165 S N -0.394 115.022 115.700 -0.472 0.000 2.555 165 S HA -0.075 4.394 4.470 -0.001 0.000 0.230 165 S C 1.727 176.185 174.600 -0.237 0.000 0.978 165 S CA 1.216 59.023 58.200 -0.656 0.000 0.934 165 S CB -0.927 61.928 63.200 -0.575 0.000 0.766 165 S HN 0.580 nan 8.310 nan 0.000 0.533 166 T N -0.595 113.831 114.554 -0.214 0.000 3.085 166 T HA -0.017 4.333 4.350 -0.001 0.000 0.263 166 T C 1.408 175.933 174.700 -0.291 0.000 1.127 166 T CA 0.977 62.974 62.100 -0.170 0.000 1.103 166 T CB -0.700 68.162 68.868 -0.009 0.000 0.921 166 T HN 0.911 nan 8.240 nan 0.000 0.510 167 H N -1.994 117.014 119.070 -0.103 0.000 3.540 167 H HA 0.203 4.758 4.556 -0.001 0.000 0.259 167 H C 0.504 176.064 175.328 0.386 0.000 1.197 167 H CA -1.041 55.098 56.048 0.151 0.000 1.136 167 H CB -0.488 29.363 29.762 0.147 0.000 1.605 167 H HN 0.486 nan 8.280 nan 0.000 0.657 168 W N 2.694 123.962 121.300 -0.053 0.000 2.089 168 W HA 0.259 4.919 4.660 -0.001 0.000 0.355 168 W C 0.008 176.634 176.519 0.180 0.000 1.305 168 W CA -0.087 57.324 57.345 0.109 0.000 1.281 168 W CB -0.229 29.227 29.460 -0.006 0.000 1.183 168 W HN -0.178 nan 8.180 nan 0.000 0.604 169 T N 1.085 115.630 114.554 -0.015 0.000 3.113 169 T HA 0.004 4.354 4.350 -0.001 0.000 0.256 169 T C 1.052 175.348 174.700 -0.674 0.000 1.131 169 T CA 1.126 63.035 62.100 -0.318 0.000 1.074 169 T CB -0.522 68.323 68.868 -0.039 0.000 0.944 169 T HN 0.670 nan 8.240 nan 0.000 0.516 170 C N 0.752 119.278 119.300 -1.289 0.000 4.617 170 C HA -0.111 4.349 4.460 -0.001 0.000 0.260 170 C C 1.128 175.642 174.990 -0.794 0.000 1.288 170 C CA -0.753 57.282 59.018 -1.638 0.000 1.668 170 C CB -2.596 24.652 27.740 -0.819 0.000 1.518 170 C HN 0.768 nan 8.230 nan 0.000 0.708 171 A N 1.114 123.672 122.820 -0.436 0.000 2.409 171 A HA 0.565 4.884 4.320 -0.001 0.000 0.267 171 A C 0.763 178.264 177.584 -0.137 0.000 1.127 171 A CA 1.134 53.062 52.037 -0.182 0.000 0.795 171 A CB 0.188 19.158 19.000 -0.051 0.000 1.061 171 A HN 1.394 nan 8.150 nan 0.000 0.502 172 T N 1.450 115.941 114.554 -0.105 0.000 3.504 172 T HA 0.511 4.860 4.350 -0.001 0.000 0.286 172 T C -2.749 171.903 174.700 -0.079 0.000 1.530 172 T CA -1.443 60.627 62.100 -0.050 0.000 1.652 172 T CB 0.551 69.422 68.868 0.006 0.000 0.895 172 T HN 0.447 nan 8.240 nan 0.000 0.674 173 P HA 0.383 nan 4.420 nan 0.000 0.276 173 P C -0.138 177.012 177.300 -0.250 0.000 1.244 173 P CA -0.620 62.383 63.100 -0.163 0.000 0.801 173 P CB 1.105 32.686 31.700 -0.197 0.000 1.006 174 R N 0.764 121.037 120.500 -0.379 0.000 2.582 174 R HA 0.389 4.729 4.340 -0.001 0.000 0.271 174 R C 0.047 176.219 176.300 -0.214 0.000 1.078 174 R CA -0.391 55.282 56.100 -0.712 0.000 1.127 174 R CB 0.186 29.957 30.300 -0.881 0.000 1.038 174 R HN 0.384 nan 8.270 nan 0.000 0.500 175 F N 1.782 121.511 119.950 -0.367 0.000 2.384 175 F HA 0.072 4.598 4.527 -0.001 0.000 0.338 175 F C 0.896 176.525 175.800 -0.286 0.000 1.103 175 F CA -1.619 56.195 58.000 -0.310 0.000 1.157 175 F CB 0.505 39.314 39.000 -0.319 0.000 1.167 175 F HN 0.542 nan 8.300 nan 0.000 0.529 176 D N 2.260 122.605 120.400 -0.092 0.000 2.411 176 D HA 0.140 4.779 4.640 -0.001 0.000 0.251 176 D C 1.025 177.249 176.300 -0.126 0.000 1.201 176 D CA -0.438 53.503 54.000 -0.099 0.000 0.996 176 D CB 0.571 41.328 40.800 -0.072 0.000 1.101 176 D HN 0.474 nan 8.370 nan 0.000 0.504 177 R N -0.042 120.405 120.500 -0.087 0.000 2.103 177 R HA -0.196 4.144 4.340 -0.001 0.000 0.242 177 R C 1.915 178.166 176.300 -0.082 0.000 1.142 177 R CA 2.037 58.089 56.100 -0.079 0.000 0.960 177 R CB -0.350 29.936 30.300 -0.024 0.000 0.858 177 R HN 0.652 nan 8.270 nan 0.000 0.439 178 E N 0.440 120.593 120.200 -0.079 0.000 2.204 178 E HA -0.202 4.147 4.350 -0.001 0.000 0.195 178 E C 1.656 178.166 176.600 -0.151 0.000 0.990 178 E CA 0.911 57.275 56.400 -0.060 0.000 0.821 178 E CB -0.020 29.698 29.700 0.030 0.000 0.750 178 E HN 0.474 nan 8.360 nan 0.000 0.477 179 Q N 0.057 119.675 119.800 -0.304 0.000 2.356 179 Q HA 0.132 4.471 4.340 -0.001 0.000 0.205 179 Q C 0.473 176.369 176.000 -0.173 0.000 0.901 179 Q CA -0.110 55.434 55.803 -0.431 0.000 0.938 179 Q CB 0.571 28.748 28.738 -0.935 0.000 1.081 179 Q HN -0.004 nan 8.270 nan 0.000 0.517 180 R N 2.013 122.455 120.500 -0.095 0.000 2.393 180 R HA 0.295 4.635 4.340 -0.001 0.000 0.310 180 R C -2.548 173.729 176.300 -0.039 0.000 0.968 180 R CA -2.125 53.911 56.100 -0.107 0.000 0.867 180 R CB 0.996 31.051 30.300 -0.409 0.000 1.124 180 R HN -0.121 nan 8.270 nan 0.000 0.450 181 P HA 0.029 nan 4.420 nan 0.000 0.271 181 P C -0.579 176.894 177.300 0.288 0.000 1.218 181 P CA -0.037 63.154 63.100 0.152 0.000 0.780 181 P CB 0.610 32.417 31.700 0.177 0.000 0.901 182 L N 2.628 123.984 121.223 0.222 0.000 2.380 182 L HA 0.161 4.501 4.340 -0.001 0.000 0.273 182 L C 1.667 178.701 176.870 0.273 0.000 1.138 182 L CA -0.134 54.908 54.840 0.336 0.000 0.832 182 L CB 0.217 42.523 42.059 0.411 0.000 1.124 182 L HN 0.365 nan 8.230 nan 0.000 0.454 183 L N 3.176 124.591 121.223 0.321 0.000 2.609 183 L HA 0.217 4.556 4.340 -0.001 0.000 0.230 183 L C -0.189 176.851 176.870 0.284 0.000 1.064 183 L CA 0.169 55.084 54.840 0.125 0.000 0.873 183 L CB 0.790 42.716 42.059 -0.222 0.000 1.139 183 L HN 0.320 nan 8.230 nan 0.000 0.490 184 V N 1.305 121.387 119.914 0.280 0.000 2.540 184 V HA 0.250 4.369 4.120 -0.001 0.000 0.302 184 V C -0.283 175.902 176.094 0.153 0.000 1.035 184 V CA -0.949 61.459 62.300 0.180 0.000 0.873 184 V CB 1.687 33.566 31.823 0.093 0.000 0.992 184 V HN 0.180 nan 8.190 nan 0.000 0.428 185 K N 2.174 122.531 120.400 -0.072 0.000 2.118 185 K HA 0.461 4.780 4.320 -0.001 0.000 0.267 185 K C -0.456 176.100 176.600 -0.072 0.000 0.991 185 K CA -0.458 55.743 56.287 -0.143 0.000 0.916 185 K CB 1.037 33.239 32.500 -0.496 0.000 1.041 185 K HN 0.630 nan 8.250 nan 0.000 0.455 186 D N 0.569 120.954 120.400 -0.025 0.000 2.945 186 D HA -0.166 4.474 4.640 -0.001 0.000 0.225 186 D C -0.801 175.503 176.300 0.006 0.000 1.158 186 D CA 1.423 55.417 54.000 -0.010 0.000 0.805 186 D CB -0.858 39.922 40.800 -0.032 0.000 1.098 186 D HN 0.802 nan 8.370 nan 0.000 0.426 187 D N -1.213 119.203 120.400 0.026 0.000 2.584 187 D HA 0.434 5.073 4.640 -0.001 0.000 0.238 187 D C 0.980 177.315 176.300 0.059 0.000 1.302 187 D CA 0.211 54.232 54.000 0.034 0.000 0.884 187 D CB 0.464 41.278 40.800 0.024 0.000 1.456 187 D HN -0.002 nan 8.370 nan 0.000 0.528 188 A N 2.221 125.078 122.820 0.062 0.000 1.940 188 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 188 A C 1.683 179.316 177.584 0.082 0.000 1.176 188 A CA 1.564 53.648 52.037 0.078 0.000 0.631 188 A CB -0.061 18.977 19.000 0.062 0.000 0.814 188 A HN 0.437 nan 8.150 nan 0.000 0.446 189 D N -0.118 120.319 120.400 0.062 0.000 2.117 189 D HA -0.027 4.613 4.640 -0.001 0.000 0.197 189 D C 2.264 178.603 176.300 0.067 0.000 0.987 189 D CA 1.577 55.613 54.000 0.059 0.000 0.829 189 D CB -0.448 40.378 40.800 0.043 0.000 0.961 189 D HN 0.421 nan 8.370 nan 0.000 0.460 190 A N 0.617 123.473 122.820 0.059 0.000 1.898 190 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 190 A C 1.958 179.587 177.584 0.076 0.000 1.181 190 A CA 1.984 54.053 52.037 0.053 0.000 0.620 190 A CB -0.636 18.386 19.000 0.038 0.000 0.819 190 A HN 0.192 nan 8.150 nan 0.000 0.442 191 D N -0.066 120.402 120.400 0.114 0.000 2.084 191 D HA -0.170 4.469 4.640 -0.001 0.000 0.194 191 D C 1.284 177.749 176.300 0.273 0.000 0.990 191 D CA 1.614 55.731 54.000 0.194 0.000 0.826 191 D CB -0.159 40.783 40.800 0.236 0.000 0.971 191 D HN 0.349 nan 8.370 nan 0.000 0.453 192 D N -0.038 120.489 120.400 0.212 0.000 2.133 192 D HA -0.191 4.448 4.640 -0.001 0.000 0.195 192 D C 1.973 178.384 176.300 0.186 0.000 0.997 192 D CA 1.572 55.695 54.000 0.205 0.000 0.840 192 D CB -0.598 40.278 40.800 0.127 0.000 0.947 192 D HN 0.360 nan 8.370 nan 0.000 0.452 193 A N 0.551 123.442 122.820 0.118 0.000 1.930 193 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 193 A C 2.148 179.765 177.584 0.056 0.000 1.175 193 A CA 1.866 53.950 52.037 0.077 0.000 0.627 193 A CB -0.456 18.571 19.000 0.045 0.000 0.815 193 A HN 0.205 nan 8.150 nan 0.000 0.443 194 E N -0.934 119.282 120.200 0.026 0.000 2.047 194 E HA -0.181 4.168 4.350 -0.001 0.000 0.191 194 E C 1.680 178.201 176.600 -0.131 0.000 0.987 194 E CA 1.401 57.747 56.400 -0.091 0.000 0.799 194 E CB -0.452 29.148 29.700 -0.167 0.000 0.752 194 E HN 0.713 nan 8.360 nan 0.000 0.449 195 W N 0.790 122.054 121.300 -0.060 0.000 2.363 195 W HA -0.113 4.546 4.660 -0.001 0.000 0.296 195 W C 2.128 178.638 176.519 -0.015 0.000 1.212 195 W CA 1.205 58.478 57.345 -0.119 0.000 1.260 195 W CB -0.330 29.099 29.460 -0.052 0.000 1.131 195 W HN 0.250 nan 8.180 nan 0.000 0.530 196 D N 0.011 120.580 120.400 0.282 0.000 2.117 196 D HA -0.208 4.431 4.640 -0.001 0.000 0.197 196 D C 2.141 178.516 176.300 0.124 0.000 0.987 196 D CA 1.438 55.571 54.000 0.221 0.000 0.829 196 D CB -0.212 40.675 40.800 0.144 0.000 0.961 196 D HN -0.023 nan 8.370 nan 0.000 0.460 197 R N -0.314 120.212 120.500 0.043 0.000 2.081 197 R HA -0.083 4.256 4.340 -0.001 0.000 0.235 197 R C 2.409 178.672 176.300 -0.062 0.000 1.131 197 R CA 1.117 57.206 56.100 -0.018 0.000 0.960 197 R CB -0.270 29.999 30.300 -0.052 0.000 0.856 197 R HN 0.261 nan 8.270 nan 0.000 0.436 198 L N -0.681 120.472 121.223 -0.115 0.000 2.044 198 L HA -0.156 4.183 4.340 -0.001 0.000 0.205 198 L C 2.299 179.101 176.870 -0.114 0.000 1.075 198 L CA 1.110 55.824 54.840 -0.210 0.000 0.747 198 L CB -0.586 41.237 42.059 -0.394 0.000 0.903 198 L HN 0.195 nan 8.230 nan 0.000 0.435 199 Y N 0.338 120.638 120.300 -0.001 0.000 2.274 199 Y HA -0.226 4.323 4.550 -0.001 0.000 0.290 199 Y C 2.850 178.726 175.900 -0.041 0.000 1.145 199 Y CA 1.487 59.592 58.100 0.007 0.000 1.203 199 Y CB -1.051 37.445 38.460 0.061 0.000 0.984 199 Y HN 0.140 nan 8.280 nan 0.000 0.533 200 T N -0.443 114.181 114.554 0.116 0.000 2.746 200 T HA -0.197 4.152 4.350 -0.001 0.000 0.267 200 T C 1.981 176.647 174.700 -0.056 0.000 1.039 200 T CA 1.597 63.718 62.100 0.035 0.000 1.142 200 T CB -0.142 68.740 68.868 0.023 0.000 0.866 200 T HN 0.231 nan 8.240 nan 0.000 0.444 201 K N 0.868 121.178 120.400 -0.151 0.000 2.057 201 K HA 0.003 4.323 4.320 -0.001 0.000 0.206 201 K C 2.515 178.776 176.600 -0.564 0.000 1.050 201 K CA 1.115 57.181 56.287 -0.367 0.000 0.935 201 K CB -0.288 31.951 32.500 -0.435 0.000 0.715 201 K HN 0.263 nan 8.250 nan 0.000 0.439 202 A N 1.307 123.912 122.820 -0.359 0.000 1.902 202 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 202 A C 1.832 179.412 177.584 -0.007 0.000 1.181 202 A CA 1.812 53.709 52.037 -0.234 0.000 0.623 202 A CB -0.515 18.476 19.000 -0.016 0.000 0.818 202 A HN 0.462 nan 8.150 nan 0.000 0.443 203 E N 0.192 120.430 120.200 0.063 0.000 2.110 203 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 203 E C 2.385 179.064 176.600 0.131 0.000 0.988 203 E CA 1.491 57.974 56.400 0.138 0.000 0.804 203 E CB -0.183 29.571 29.700 0.090 0.000 0.745 203 E HN 0.830 nan 8.360 nan 0.000 0.458 204 S N 0.140 115.869 115.700 0.048 0.000 2.368 204 S HA -0.173 4.296 4.470 -0.001 0.000 0.224 204 S C 1.937 176.684 174.600 0.244 0.000 1.029 204 S CA 0.719 58.981 58.200 0.104 0.000 0.988 204 S CB -0.478 62.760 63.200 0.064 0.000 0.838 204 S HN 0.201 nan 8.310 nan 0.000 0.462 205 Y N 0.680 120.991 120.300 0.019 0.000 2.181 205 Y HA 0.126 4.676 4.550 -0.001 0.000 0.288 205 Y C 2.012 177.938 175.900 0.044 0.000 1.146 205 Y CA -0.108 57.970 58.100 -0.036 0.000 1.164 205 Y CB -1.072 37.286 38.460 -0.171 0.000 0.982 205 Y HN 0.301 nan 8.280 nan 0.000 0.515 206 F N 0.152 120.261 119.950 0.264 0.000 2.789 206 F HA 0.050 4.576 4.527 -0.001 0.000 0.300 206 F C 0.818 176.732 175.800 0.190 0.000 1.132 206 F CA 0.106 58.253 58.000 0.244 0.000 1.404 206 F CB -0.262 38.904 39.000 0.276 0.000 1.114 206 F HN -0.018 nan 8.300 nan 0.000 0.584 207 Q N 0.367 120.357 119.800 0.317 0.000 2.468 207 Q HA -0.189 4.150 4.340 -0.001 0.000 0.289 207 Q C 0.060 176.148 176.000 0.148 0.000 1.299 207 Q CA 0.788 56.705 55.803 0.189 0.000 0.838 207 Q CB -2.696 26.132 28.738 0.150 0.000 1.195 207 Q HN 0.228 nan 8.270 nan 0.000 0.456 208 T N -0.006 114.651 114.554 0.171 0.000 2.928 208 T HA 0.438 4.787 4.350 -0.001 0.000 0.305 208 T C 0.804 175.536 174.700 0.054 0.000 1.035 208 T CA 0.590 62.752 62.100 0.103 0.000 1.145 208 T CB 1.299 70.236 68.868 0.114 0.000 0.963 208 T HN 0.487 nan 8.240 nan 0.000 0.545 209 G N 0.590 109.405 108.800 0.025 0.000 2.708 209 G HA2 0.563 4.522 3.960 -0.001 0.000 0.289 209 G HA3 0.563 4.522 3.960 -0.001 0.000 0.289 209 G C 0.051 174.959 174.900 0.014 0.000 1.416 209 G CA -0.507 44.599 45.100 0.011 0.000 0.829 209 G HN 0.638 nan 8.290 nan 0.000 0.480 210 T N -2.504 112.058 114.554 0.014 0.000 3.337 210 T HA 0.261 4.610 4.350 -0.001 0.000 0.299 210 T C 0.083 174.798 174.700 0.024 0.000 0.998 210 T CA 0.523 62.641 62.100 0.030 0.000 0.948 210 T CB 0.374 69.266 68.868 0.039 0.000 1.170 210 T HN 0.496 nan 8.240 nan 0.000 0.508 211 D N 0.339 120.733 120.400 -0.010 0.000 2.500 211 D HA 0.064 4.703 4.640 -0.001 0.000 0.217 211 D C 1.292 177.521 176.300 -0.118 0.000 1.159 211 D CA -0.078 53.894 54.000 -0.047 0.000 0.828 211 D CB -0.021 40.747 40.800 -0.055 0.000 1.039 211 D HN 0.273 nan 8.370 nan 0.000 0.512 212 Q N -0.387 119.337 119.800 -0.126 0.000 2.369 212 Q HA 0.141 4.480 4.340 -0.001 0.000 0.206 212 Q C 0.275 175.881 176.000 -0.658 0.000 0.963 212 Q CA 0.913 56.511 55.803 -0.343 0.000 0.894 212 Q CB -0.245 28.274 28.738 -0.365 0.000 0.965 212 Q HN 0.289 nan 8.270 nan 0.000 0.475 213 F N -0.182 119.603 119.950 -0.275 0.000 2.735 213 F HA 0.241 4.767 4.527 -0.001 0.000 0.308 213 F C 1.162 176.759 175.800 -0.338 0.000 1.112 213 F CA -0.586 57.211 58.000 -0.339 0.000 1.235 213 F CB 0.375 39.101 39.000 -0.457 0.000 1.027 213 F HN -0.010 nan 8.300 nan 0.000 0.528 214 K N 0.355 120.658 120.400 -0.162 0.000 2.209 214 K HA -0.100 4.219 4.320 -0.001 0.000 0.204 214 K C 0.619 177.121 176.600 -0.163 0.000 1.048 214 K CA 1.659 57.898 56.287 -0.081 0.000 0.940 214 K CB -0.174 32.266 32.500 -0.100 0.000 0.729 214 K HN 0.330 nan 8.250 nan 0.000 0.451 215 E N 1.607 121.589 120.200 -0.363 0.000 2.569 215 E HA 0.059 4.408 4.350 -0.001 0.000 0.205 215 E C -0.713 175.719 176.600 -0.280 0.000 1.006 215 E CA -0.326 55.631 56.400 -0.740 0.000 0.985 215 E CB 1.006 30.073 29.700 -1.055 0.000 1.060 215 E HN 0.198 nan 8.360 nan 0.000 0.460 216 S N 0.790 116.466 115.700 -0.041 0.000 2.510 216 S HA 0.129 4.598 4.470 -0.001 0.000 0.279 216 S C 1.219 175.885 174.600 0.109 0.000 1.284 216 S CA -0.351 57.891 58.200 0.071 0.000 1.059 216 S CB 0.388 63.697 63.200 0.182 0.000 0.901 216 S HN 0.225 nan 8.310 nan 0.000 0.491 217 I N 5.100 125.614 120.570 -0.093 0.000 2.179 217 I HA -0.156 4.013 4.170 -0.001 0.000 0.242 217 I C 2.706 178.625 176.117 -0.329 0.000 1.088 217 I CA 1.175 62.169 61.300 -0.509 0.000 1.357 217 I CB -0.198 37.280 38.000 -0.872 0.000 1.051 217 I HN 0.702 nan 8.210 nan 0.000 0.409 218 R N -0.563 119.846 120.500 -0.153 0.000 2.081 218 R HA -0.238 4.102 4.340 -0.001 0.000 0.235 218 R C 2.345 178.663 176.300 0.029 0.000 1.131 218 R CA 1.752 57.818 56.100 -0.058 0.000 0.960 218 R CB -0.671 29.612 30.300 -0.029 0.000 0.856 218 R HN 0.433 nan 8.270 nan 0.000 0.436 219 H N 1.190 120.270 119.070 0.016 0.000 2.267 219 H HA -0.056 4.499 4.556 -0.001 0.000 0.297 219 H C 1.779 177.174 175.328 0.112 0.000 1.080 219 H CA 1.963 58.048 56.048 0.061 0.000 1.278 219 H CB -0.129 29.698 29.762 0.109 0.000 1.365 219 H HN 0.123 nan 8.280 nan 0.000 0.489 220 N N 0.095 118.886 118.700 0.151 0.000 2.244 220 N HA -0.127 4.612 4.740 -0.001 0.000 0.183 220 N C 2.052 177.707 175.510 0.242 0.000 1.016 220 N CA 0.984 54.170 53.050 0.227 0.000 0.866 220 N CB -0.211 38.632 38.487 0.594 0.000 0.980 220 N HN 0.305 nan 8.380 nan 0.000 0.430 221 L N 1.347 122.720 121.223 0.250 0.000 2.012 221 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 221 L C 2.132 179.061 176.870 0.097 0.000 1.073 221 L CA 1.427 56.419 54.840 0.254 0.000 0.748 221 L CB -0.532 41.624 42.059 0.161 0.000 0.891 221 L HN -0.119 nan 8.230 nan 0.000 0.431 222 V N -0.883 119.037 119.914 0.009 0.000 2.323 222 V HA -0.232 3.887 4.120 -0.001 0.000 0.244 222 V C 2.419 178.440 176.094 -0.121 0.000 1.041 222 V CA 1.514 63.787 62.300 -0.046 0.000 1.025 222 V CB -0.662 31.113 31.823 -0.080 0.000 0.656 222 V HN 0.496 nan 8.190 nan 0.000 0.451 223 L N 1.139 122.251 121.223 -0.185 0.000 2.013 223 L HA -0.209 4.131 4.340 -0.001 0.000 0.212 223 L C 2.212 179.014 176.870 -0.113 0.000 1.073 223 L CA 2.161 56.887 54.840 -0.191 0.000 0.753 223 L CB -0.964 40.940 42.059 -0.258 0.000 0.890 223 L HN 0.330 nan 8.230 nan 0.000 0.432 224 N N -0.251 118.433 118.700 -0.026 0.000 2.142 224 N HA -0.198 4.541 4.740 -0.001 0.000 0.186 224 N C 1.841 177.334 175.510 -0.028 0.000 1.023 224 N CA 1.338 54.391 53.050 0.006 0.000 0.852 224 N CB -0.348 38.173 38.487 0.057 0.000 0.998 224 N HN 0.284 nan 8.380 nan 0.000 0.424 225 K N 1.422 121.805 120.400 -0.028 0.000 2.026 225 K HA 0.043 4.362 4.320 -0.001 0.000 0.208 225 K C 1.935 178.489 176.600 -0.078 0.000 1.048 225 K CA 0.989 57.257 56.287 -0.031 0.000 0.929 225 K CB -0.487 32.014 32.500 0.002 0.000 0.713 225 K HN 0.131 nan 8.250 nan 0.000 0.439 226 L N 0.029 121.132 121.223 -0.199 0.000 2.093 226 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 226 L C 2.209 178.875 176.870 -0.341 0.000 1.085 226 L CA 1.489 56.087 54.840 -0.402 0.000 0.755 226 L CB -0.683 40.748 42.059 -1.047 0.000 0.904 226 L HN 0.250 nan 8.230 nan 0.000 0.435 227 T N -0.724 113.694 114.554 -0.227 0.000 2.684 227 T HA -0.267 4.082 4.350 -0.001 0.000 0.267 227 T C 1.781 176.531 174.700 0.084 0.000 1.036 227 T CA 1.764 63.893 62.100 0.047 0.000 1.148 227 T CB -0.106 68.802 68.868 0.066 0.000 0.863 227 T HN 0.389 nan 8.240 nan 0.000 0.436 228 E N 0.591 120.803 120.200 0.019 0.000 2.047 228 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 228 E C 2.215 178.816 176.600 0.001 0.000 0.987 228 E CA 0.924 57.330 56.400 0.010 0.000 0.799 228 E CB 0.050 29.740 29.700 -0.017 0.000 0.752 228 E HN 0.375 nan 8.360 nan 0.000 0.449 229 E N -0.455 119.731 120.200 -0.024 0.000 2.204 229 E HA -0.173 4.177 4.350 -0.001 0.000 0.195 229 E C 0.735 177.186 176.600 -0.247 0.000 0.990 229 E CA 0.982 57.297 56.400 -0.142 0.000 0.821 229 E CB 0.032 29.623 29.700 -0.182 0.000 0.750 229 E HN 0.482 nan 8.360 nan 0.000 0.477 230 Y N 0.261 120.601 120.300 0.067 0.000 2.696 230 Y HA 0.192 4.741 4.550 -0.001 0.000 0.260 230 Y C 0.531 176.498 175.900 0.110 0.000 1.165 230 Y CA -0.455 57.721 58.100 0.126 0.000 1.189 230 Y CB 0.422 39.049 38.460 0.279 0.000 1.180 230 Y HN -0.261 nan 8.280 nan 0.000 0.538 231 K N 0.743 121.235 120.400 0.153 0.000 2.472 231 K HA 0.189 4.508 4.320 -0.001 0.000 0.280 231 K C 1.227 177.885 176.600 0.096 0.000 1.028 231 K CA 1.380 57.736 56.287 0.116 0.000 1.045 231 K CB 0.037 32.574 32.500 0.062 0.000 0.902 231 K HN 0.635 nan 8.250 nan 0.000 0.478 232 G N 3.104 111.961 108.800 0.095 0.000 2.199 232 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.254 232 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.254 232 G C 0.665 175.616 174.900 0.086 0.000 0.982 232 G CA 0.652 45.797 45.100 0.074 0.000 0.632 232 G HN 0.717 nan 8.290 nan 0.000 0.529 233 Q N -1.208 118.667 119.800 0.126 0.000 2.580 233 Q HA 0.309 4.649 4.340 -0.001 0.000 0.239 233 Q C 1.123 177.198 176.000 0.126 0.000 0.873 233 Q CA 0.151 56.036 55.803 0.137 0.000 0.951 233 Q CB 0.933 29.786 28.738 0.191 0.000 1.172 233 Q HN 0.444 nan 8.270 nan 0.000 0.616 234 R N 0.579 121.163 120.500 0.140 0.000 2.725 234 R HA 0.394 4.733 4.340 -0.001 0.000 0.277 234 R C -1.586 174.712 176.300 -0.003 0.000 0.987 234 R CA -0.696 55.388 56.100 -0.026 0.000 0.901 234 R CB 1.765 31.853 30.300 -0.353 0.000 1.207 234 R HN -0.010 nan 8.270 nan 0.000 0.463 235 D N 1.292 121.624 120.400 -0.114 0.000 2.185 235 D HA 0.415 5.055 4.640 -0.001 0.000 0.247 235 D C -0.771 175.377 176.300 -0.254 0.000 1.027 235 D CA 0.037 54.017 54.000 -0.032 0.000 0.861 235 D CB 1.286 42.083 40.800 -0.006 0.000 1.202 235 D HN 0.139 nan 8.370 nan 0.000 0.453 236 F N 0.559 120.515 119.950 0.011 0.000 2.561 236 F HA 0.402 4.929 4.527 -0.001 0.000 0.321 236 F C 0.595 176.412 175.800 0.028 0.000 1.065 236 F CA -0.653 57.348 58.000 0.001 0.000 0.934 236 F CB 1.845 40.839 39.000 -0.009 0.000 1.215 236 F HN 0.205 nan 8.300 nan 0.000 0.471 237 Q N 0.052 119.972 119.800 0.199 0.000 2.737 237 Q HA 0.353 4.692 4.340 -0.001 0.000 0.307 237 Q C -1.605 174.512 176.000 0.195 0.000 0.905 237 Q CA -1.281 54.621 55.803 0.166 0.000 0.753 237 Q CB 1.811 30.612 28.738 0.104 0.000 1.463 237 Q HN 0.626 nan 8.270 nan 0.000 0.455 238 Q N 0.849 120.783 119.800 0.223 0.000 2.352 238 Q HA 0.250 4.589 4.340 -0.001 0.000 0.260 238 Q C -0.504 175.566 176.000 0.116 0.000 0.976 238 Q CA -0.258 55.683 55.803 0.230 0.000 0.881 238 Q CB 0.550 29.375 28.738 0.145 0.000 1.235 238 Q HN 0.579 nan 8.270 nan 0.000 0.419 239 I N 6.431 127.050 120.570 0.082 0.000 2.821 239 I HA -0.089 4.080 4.170 -0.001 0.000 0.294 239 I C -1.978 174.159 176.117 0.033 0.000 1.210 239 I CA -1.175 60.150 61.300 0.041 0.000 1.430 239 I CB 0.108 38.104 38.000 -0.007 0.000 1.356 239 I HN 0.448 nan 8.210 nan 0.000 0.563 240 P HA 0.204 nan 4.420 nan 0.000 0.271 240 P C -0.934 176.359 177.300 -0.011 0.000 1.233 240 P CA 0.214 63.318 63.100 0.006 0.000 0.764 240 P CB 0.406 32.097 31.700 -0.016 0.000 0.825 241 L N 2.431 123.656 121.223 0.004 0.000 2.365 241 L HA 0.639 4.978 4.340 -0.001 0.000 0.273 241 L C 0.349 177.209 176.870 -0.018 0.000 1.000 241 L CA -1.178 53.660 54.840 -0.004 0.000 0.819 241 L CB 2.126 44.252 42.059 0.110 0.000 1.284 241 L HN 0.224 nan 8.230 nan 0.000 0.418 242 A N 3.038 125.806 122.820 -0.087 0.000 2.805 242 A HA 0.749 5.068 4.320 -0.001 0.000 0.301 242 A C 0.047 177.649 177.584 0.029 0.000 1.557 242 A CA 0.071 52.100 52.037 -0.014 0.000 1.254 242 A CB -0.418 18.510 19.000 -0.119 0.000 1.114 242 A HN 0.778 nan 8.150 nan 0.000 0.553 243 A N 1.698 124.504 122.820 -0.024 0.000 2.594 243 A HA 0.720 5.039 4.320 -0.001 0.000 0.296 243 A C -0.486 176.982 177.584 -0.193 0.000 1.056 243 A CA -0.459 51.462 52.037 -0.194 0.000 0.693 243 A CB 0.800 19.502 19.000 -0.498 0.000 1.278 243 A HN 0.569 nan 8.150 nan 0.000 0.408 244 T N 1.563 115.979 114.554 -0.231 0.000 2.809 244 T HA 0.480 4.829 4.350 -0.001 0.000 0.284 244 T C 0.027 174.574 174.700 -0.255 0.000 0.992 244 T CA -0.407 61.584 62.100 -0.181 0.000 0.957 244 T CB 1.119 69.938 68.868 -0.083 0.000 0.942 244 T HN 0.722 nan 8.240 nan 0.000 0.439 245 R N 2.335 122.669 120.500 -0.277 0.000 2.442 245 R HA 0.228 4.567 4.340 -0.001 0.000 0.291 245 R C 0.779 176.992 176.300 -0.145 0.000 1.069 245 R CA -0.262 55.667 56.100 -0.285 0.000 1.022 245 R CB 0.370 30.470 30.300 -0.334 0.000 0.976 245 R HN 0.391 nan 8.270 nan 0.000 0.443 246 R N 1.086 121.553 120.500 -0.056 0.000 2.250 246 R HA 0.149 4.489 4.340 -0.001 0.000 0.194 246 R C 0.135 176.420 176.300 -0.026 0.000 0.927 246 R CA 0.695 56.789 56.100 -0.010 0.000 1.052 246 R CB 0.387 30.729 30.300 0.070 0.000 1.055 246 R HN 0.777 nan 8.270 nan 0.000 0.537 247 S N -1.520 114.174 115.700 -0.010 0.000 2.643 247 S HA 0.396 4.865 4.470 -0.001 0.000 0.270 247 S C -2.588 171.981 174.600 -0.053 0.000 1.166 247 S CA -1.047 57.136 58.200 -0.028 0.000 0.815 247 S CB 2.121 65.323 63.200 0.004 0.000 1.139 247 S HN -0.271 nan 8.310 nan 0.000 0.472 248 P HA -0.003 nan 4.420 nan 0.000 0.221 248 P C 1.010 178.278 177.300 -0.053 0.000 1.145 248 P CA 1.863 64.921 63.100 -0.070 0.000 0.795 248 P CB -0.143 31.534 31.700 -0.038 0.000 0.775 249 T N -7.011 107.545 114.554 0.003 0.000 3.091 249 T HA 0.289 4.638 4.350 -0.001 0.000 0.277 249 T C -0.243 174.511 174.700 0.091 0.000 0.996 249 T CA -0.370 61.753 62.100 0.038 0.000 0.897 249 T CB -0.554 68.355 68.868 0.069 0.000 1.109 249 T HN -0.131 nan 8.240 nan 0.000 0.534 250 F N 1.488 121.379 119.950 -0.098 0.000 2.573 250 F HA 0.660 5.186 4.527 -0.001 0.000 0.316 250 F C -1.593 174.080 175.800 -0.211 0.000 1.148 250 F CA -1.074 56.865 58.000 -0.103 0.000 0.940 250 F CB 2.012 40.968 39.000 -0.074 0.000 1.214 250 F HN -0.102 nan 8.300 nan 0.000 0.448 251 V N 5.231 124.745 119.914 -0.667 0.000 2.448 251 V HA 0.285 4.404 4.120 -0.001 0.000 0.295 251 V C -0.392 175.153 176.094 -0.914 0.000 1.025 251 V CA -0.840 61.001 62.300 -0.765 0.000 0.859 251 V CB 1.675 32.842 31.823 -1.093 0.000 0.988 251 V HN 0.723 nan 8.190 nan 0.000 0.431 252 E N 4.532 124.474 120.200 -0.430 0.000 1.996 252 E HA 0.156 4.506 4.350 -0.001 0.000 0.280 252 E C -1.089 175.323 176.600 -0.312 0.000 1.092 252 E CA -0.545 55.757 56.400 -0.164 0.000 0.862 252 E CB 0.447 30.203 29.700 0.093 0.000 1.066 252 E HN 0.628 nan 8.360 nan 0.000 0.396 253 W N 2.965 124.162 121.300 -0.171 0.000 2.238 253 W HA 0.130 4.789 4.660 -0.001 0.000 0.321 253 W C 0.632 177.165 176.519 0.022 0.000 1.293 253 W CA -0.532 56.678 57.345 -0.225 0.000 1.204 253 W CB 0.920 29.983 29.460 -0.661 0.000 1.167 253 W HN 0.329 nan 8.180 nan 0.000 0.553 254 S N 1.611 117.511 115.700 0.335 0.000 2.624 254 S HA 0.609 5.078 4.470 -0.001 0.000 0.263 254 S C 0.154 175.205 174.600 0.752 0.000 1.287 254 S CA -0.578 57.901 58.200 0.464 0.000 0.990 254 S CB 1.144 64.625 63.200 0.468 0.000 0.950 254 S HN 0.517 nan 8.310 nan 0.000 0.561 255 S N -0.454 115.630 115.700 0.640 0.000 2.724 255 S HA 0.686 5.155 4.470 -0.001 0.000 0.278 255 S C 0.778 175.585 174.600 0.346 0.000 1.190 255 S CA -0.324 58.184 58.200 0.513 0.000 0.860 255 S CB 0.520 63.955 63.200 0.391 0.000 1.206 255 S HN 0.723 nan 8.310 nan 0.000 0.507 256 A N 1.630 124.546 122.820 0.160 0.000 1.917 256 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 256 A C 2.027 179.667 177.584 0.094 0.000 1.182 256 A CA 2.193 54.282 52.037 0.087 0.000 0.633 256 A CB -1.565 17.455 19.000 0.033 0.000 0.819 256 A HN 0.870 nan 8.150 nan 0.000 0.448 257 N N -0.451 118.313 118.700 0.105 0.000 2.149 257 N HA -0.165 4.574 4.740 -0.001 0.000 0.188 257 N C 1.562 177.107 175.510 0.059 0.000 1.019 257 N CA 2.116 55.204 53.050 0.063 0.000 0.857 257 N CB -0.302 38.231 38.487 0.077 0.000 0.997 257 N HN 0.471 nan 8.380 nan 0.000 0.426 258 T N 0.518 115.156 114.554 0.139 0.000 2.720 258 T HA -0.072 4.278 4.350 -0.001 0.000 0.268 258 T C 2.065 176.807 174.700 0.069 0.000 1.037 258 T CA 1.304 63.490 62.100 0.143 0.000 1.144 258 T CB -0.236 68.795 68.868 0.272 0.000 0.864 258 T HN 0.066 nan 8.240 nan 0.000 0.444 259 V N -0.578 119.364 119.914 0.047 0.000 2.323 259 V HA 0.186 4.306 4.120 -0.001 0.000 0.244 259 V C 0.474 176.542 176.094 -0.044 0.000 1.041 259 V CA 0.917 63.170 62.300 -0.079 0.000 1.025 259 V CB -0.326 31.410 31.823 -0.147 0.000 0.656 259 V HN 0.476 nan 8.190 nan 0.000 0.451 260 F N 0.919 120.753 119.950 -0.194 0.000 2.604 260 F HA 0.386 4.912 4.527 -0.001 0.000 0.316 260 F C 0.203 175.896 175.800 -0.179 0.000 1.136 260 F CA -1.601 56.256 58.000 -0.238 0.000 0.989 260 F CB 1.462 40.270 39.000 -0.319 0.000 1.258 260 F HN 0.147 nan 8.300 nan 0.000 0.451 261 D N 4.719 124.672 120.400 -0.745 0.000 2.363 261 D HA -0.036 4.604 4.640 -0.001 0.000 0.220 261 D C 1.172 177.212 176.300 -0.433 0.000 0.994 261 D CA 1.114 54.837 54.000 -0.461 0.000 0.890 261 D CB -0.012 40.567 40.800 -0.369 0.000 0.906 261 D HN 0.690 nan 8.370 nan 0.000 0.530 262 L N -1.954 118.843 121.223 -0.709 0.000 4.759 262 L HA -0.226 4.113 4.340 -0.001 0.000 0.419 262 L C -0.256 176.593 176.870 -0.035 0.000 1.093 262 L CA 0.408 55.115 54.840 -0.221 0.000 1.037 262 L CB -1.409 40.664 42.059 0.023 0.000 2.095 262 L HN 0.197 nan 8.230 nan 0.000 0.739 263 Q N 1.064 120.746 119.800 -0.197 0.000 2.332 263 Q HA 0.226 4.566 4.340 -0.001 0.000 0.263 263 Q C 0.377 176.445 176.000 0.113 0.000 0.979 263 Q CA -0.010 55.759 55.803 -0.056 0.000 0.885 263 Q CB 0.638 29.304 28.738 -0.120 0.000 1.218 263 Q HN 0.128 nan 8.270 nan 0.000 0.405 264 N N 2.067 120.822 118.700 0.092 0.000 2.454 264 N HA 0.084 4.823 4.740 -0.001 0.000 0.254 264 N C -0.251 175.324 175.510 0.107 0.000 1.228 264 N CA 0.404 53.509 53.050 0.092 0.000 0.900 264 N CB 0.614 39.059 38.487 -0.070 0.000 1.089 264 N HN 0.262 nan 8.380 nan 0.000 0.449 265 R N 1.285 121.883 120.500 0.163 0.000 2.795 265 R HA 0.498 4.837 4.340 -0.001 0.000 0.275 265 R C -2.481 173.899 176.300 0.133 0.000 0.981 265 R CA -1.689 54.501 56.100 0.149 0.000 0.917 265 R CB 1.590 32.016 30.300 0.210 0.000 1.202 265 R HN 0.358 nan 8.270 nan 0.000 0.469 266 P HA 0.057 nan 4.420 nan 0.000 0.269 266 P C -1.248 176.103 177.300 0.085 0.000 1.209 266 P CA -0.124 63.066 63.100 0.149 0.000 0.776 266 P CB 0.534 32.361 31.700 0.211 0.000 0.876 267 N N -1.221 117.516 118.700 0.063 0.000 2.972 267 N HA 0.243 4.983 4.740 -0.001 0.000 0.262 267 N C 0.511 176.031 175.510 0.018 0.000 1.478 267 N CA -0.759 52.309 53.050 0.031 0.000 0.841 267 N CB -0.520 37.974 38.487 0.011 0.000 1.512 267 N HN 0.029 nan 8.380 nan 0.000 0.548 268 T N -0.672 113.885 114.554 0.005 0.000 2.699 268 T HA -0.112 4.237 4.350 -0.001 0.000 0.268 268 T C 0.302 174.997 174.700 -0.009 0.000 1.036 268 T CA 1.769 63.868 62.100 -0.002 0.000 1.147 268 T CB -0.454 68.410 68.868 -0.006 0.000 0.862 268 T HN 0.518 nan 8.240 nan 0.000 0.446 269 D N 0.817 121.207 120.400 -0.016 0.000 2.289 269 D HA 0.201 4.840 4.640 -0.001 0.000 0.207 269 D C 0.762 177.050 176.300 -0.020 0.000 0.966 269 D CA 0.378 54.364 54.000 -0.023 0.000 0.868 269 D CB 0.129 40.907 40.800 -0.035 0.000 0.943 269 D HN 0.384 nan 8.370 nan 0.000 0.514 270 A N 1.109 123.925 122.820 -0.008 0.000 3.216 270 A HA 0.337 4.657 4.320 -0.001 0.000 0.321 270 A C -1.947 175.651 177.584 0.024 0.000 1.042 270 A CA -0.901 51.139 52.037 0.005 0.000 0.838 270 A CB 1.000 20.011 19.000 0.018 0.000 1.136 270 A HN -0.155 nan 8.150 nan 0.000 0.483 271 P HA -0.068 nan 4.420 nan 0.000 0.226 271 P C 0.419 177.705 177.300 -0.024 0.000 1.153 271 P CA 1.120 64.226 63.100 0.009 0.000 0.777 271 P CB 0.514 32.203 31.700 -0.019 0.000 0.794 272 E N -0.284 119.856 120.200 -0.100 0.000 2.498 272 E HA 0.139 4.488 4.350 -0.001 0.000 0.203 272 E C 0.357 176.952 176.600 -0.008 0.000 1.013 272 E CA 0.077 56.293 56.400 -0.307 0.000 0.927 272 E CB 0.488 29.993 29.700 -0.324 0.000 1.012 272 E HN 0.495 nan 8.360 nan 0.000 0.482 273 E N 1.074 121.352 120.200 0.129 0.000 2.283 273 E HA 0.410 4.760 4.350 -0.001 0.000 0.267 273 E C -0.164 176.609 176.600 0.288 0.000 1.045 273 E CA -0.340 56.179 56.400 0.199 0.000 0.884 273 E CB 1.207 30.998 29.700 0.152 0.000 1.106 273 E HN -0.167 nan 8.360 nan 0.000 0.408 274 R N 1.936 122.598 120.500 0.271 0.000 2.500 274 R HA 0.411 4.750 4.340 -0.001 0.000 0.299 274 R C -1.551 174.915 176.300 0.277 0.000 1.038 274 R CA -0.545 55.692 56.100 0.228 0.000 0.903 274 R CB 0.982 31.380 30.300 0.162 0.000 1.177 274 R HN 0.387 nan 8.270 nan 0.000 0.455 275 F N 2.126 122.119 119.950 0.071 0.000 2.615 275 F HA 0.454 4.980 4.527 -0.001 0.000 0.312 275 F C -1.717 174.042 175.800 -0.068 0.000 1.119 275 F CA -0.697 57.321 58.000 0.031 0.000 0.979 275 F CB 2.086 41.173 39.000 0.145 0.000 1.266 275 F HN 0.391 nan 8.300 nan 0.000 0.444 276 N N 4.506 122.501 118.700 -1.175 0.000 2.295 276 N HA 0.596 5.335 4.740 -0.001 0.000 0.293 276 N C -2.103 172.380 175.510 -1.713 0.000 1.040 276 N CA -0.622 51.689 53.050 -1.231 0.000 0.840 276 N CB 2.386 40.326 38.487 -0.911 0.000 1.468 276 N HN 0.584 nan 8.380 nan 0.000 0.478 277 L N 2.461 122.896 121.223 -1.314 0.000 2.307 277 L HA 0.661 5.000 4.340 -0.001 0.000 0.284 277 L C -1.675 174.682 176.870 -0.854 0.000 1.023 277 L CA -0.284 54.049 54.840 -0.846 0.000 0.810 277 L CB 0.245 42.160 42.059 -0.239 0.000 1.231 277 L HN 0.469 nan 8.230 nan 0.000 0.423 278 F N 6.332 126.044 119.950 -0.396 0.000 2.443 278 F HA 0.542 5.069 4.527 -0.001 0.000 0.369 278 F C -2.156 173.597 175.800 -0.078 0.000 1.090 278 F CA -2.031 55.824 58.000 -0.242 0.000 1.129 278 F CB 0.768 39.575 39.000 -0.323 0.000 1.367 278 F HN 0.420 nan 8.300 nan 0.000 0.465 279 P HA 0.297 nan 4.420 nan 0.000 0.275 279 P C -0.002 177.360 177.300 0.103 0.000 1.266 279 P CA -0.110 63.040 63.100 0.083 0.000 0.793 279 P CB 0.885 32.612 31.700 0.045 0.000 1.074 280 A N -1.342 121.522 122.820 0.074 0.000 2.791 280 A HA -0.101 4.218 4.320 -0.001 0.000 0.292 280 A C -0.076 177.541 177.584 0.055 0.000 1.487 280 A CA 0.751 52.823 52.037 0.058 0.000 0.760 280 A CB -2.416 16.616 19.000 0.052 0.000 1.031 280 A HN 0.242 nan 8.150 nan 0.000 0.503 281 V N -0.335 119.626 119.914 0.078 0.000 2.409 281 V HA 0.664 4.783 4.120 -0.001 0.000 0.290 281 V C 0.557 176.666 176.094 0.025 0.000 1.017 281 V CA -0.346 62.001 62.300 0.078 0.000 0.841 281 V CB 1.482 33.436 31.823 0.218 0.000 1.003 281 V HN 1.492 nan 8.190 nan 0.000 0.426 282 A N 4.074 126.887 122.820 -0.011 0.000 2.354 282 A HA 0.472 4.791 4.320 -0.001 0.000 0.281 282 A C 0.125 177.691 177.584 -0.029 0.000 1.174 282 A CA -0.137 51.876 52.037 -0.039 0.000 0.828 282 A CB -0.022 19.002 19.000 0.040 0.000 1.099 282 A HN 0.860 nan 8.150 nan 0.000 0.516 283 C N 2.823 122.081 119.300 -0.071 0.000 2.347 283 C HA 0.359 4.819 4.460 -0.001 0.000 0.353 283 C C 1.371 176.326 174.990 -0.058 0.000 1.273 283 C CA -0.247 58.718 59.018 -0.089 0.000 1.861 283 C CB -0.286 27.395 27.740 -0.099 0.000 2.420 283 C HN 1.025 nan 8.230 nan 0.000 0.542 284 E N 0.960 121.142 120.200 -0.029 0.000 2.306 284 E HA 0.127 4.477 4.350 -0.001 0.000 0.201 284 E C 0.069 176.646 176.600 -0.038 0.000 0.874 284 E CA 0.388 56.779 56.400 -0.015 0.000 0.972 284 E CB 0.499 30.212 29.700 0.021 0.000 0.957 284 E HN 0.654 nan 8.360 nan 0.000 0.492 285 R N 0.495 120.969 120.500 -0.045 0.000 2.643 285 R HA 0.342 4.682 4.340 -0.001 0.000 0.269 285 R C -1.040 175.166 176.300 -0.156 0.000 1.037 285 R CA -0.659 55.379 56.100 -0.105 0.000 0.894 285 R CB 2.220 32.428 30.300 -0.153 0.000 1.238 285 R HN -0.104 nan 8.270 nan 0.000 0.459 286 V N -0.608 119.205 119.914 -0.168 0.000 2.472 286 V HA 0.601 4.720 4.120 -0.001 0.000 0.290 286 V C 0.008 175.958 176.094 -0.242 0.000 1.037 286 V CA -0.807 61.354 62.300 -0.231 0.000 0.908 286 V CB 1.669 33.346 31.823 -0.244 0.000 0.985 286 V HN 0.443 nan 8.190 nan 0.000 0.454 287 V N 5.837 125.572 119.914 -0.299 0.000 2.383 287 V HA 0.460 4.579 4.120 -0.001 0.000 0.275 287 V C 0.635 176.646 176.094 -0.140 0.000 1.036 287 V CA -0.451 61.699 62.300 -0.250 0.000 0.889 287 V CB 0.807 32.466 31.823 -0.274 0.000 0.985 287 V HN 0.950 nan 8.190 nan 0.000 0.459 288 R N 3.712 124.160 120.500 -0.087 0.000 2.459 288 R HA 0.336 4.675 4.340 -0.001 0.000 0.281 288 R C 0.245 176.555 176.300 0.017 0.000 1.050 288 R CA -0.651 55.471 56.100 0.037 0.000 1.055 288 R CB 0.694 31.002 30.300 0.013 0.000 1.045 288 R HN 0.857 nan 8.270 nan 0.000 0.495 289 N N 1.301 120.032 118.700 0.052 0.000 2.354 289 N HA 0.015 4.754 4.740 -0.001 0.000 0.246 289 N C 0.577 176.075 175.510 -0.019 0.000 1.285 289 N CA 0.051 53.104 53.050 0.006 0.000 0.925 289 N CB 0.442 38.931 38.487 0.003 0.000 1.174 289 N HN 0.576 nan 8.380 nan 0.000 0.478 290 A N 0.399 123.203 122.820 -0.028 0.000 1.940 290 A HA -0.081 4.238 4.320 -0.001 0.000 0.219 290 A C 2.192 179.744 177.584 -0.053 0.000 1.176 290 A CA 1.047 53.062 52.037 -0.037 0.000 0.631 290 A CB -0.884 18.099 19.000 -0.029 0.000 0.814 290 A HN 0.653 nan 8.150 nan 0.000 0.446 291 L N -0.937 120.246 121.223 -0.067 0.000 2.551 291 L HA -0.058 4.281 4.340 -0.001 0.000 0.228 291 L C 0.079 176.848 176.870 -0.167 0.000 1.153 291 L CA 0.130 54.912 54.840 -0.097 0.000 0.851 291 L CB -0.502 41.502 42.059 -0.092 0.000 0.959 291 L HN 0.416 nan 8.230 nan 0.000 0.451 292 N N 0.076 118.663 118.700 -0.189 0.000 2.738 292 N HA -0.175 4.564 4.740 -0.001 0.000 0.249 292 N C 0.848 175.750 175.510 -1.012 0.000 1.047 292 N CA 1.041 53.870 53.050 -0.369 0.000 0.707 292 N CB -1.181 37.227 38.487 -0.133 0.000 0.937 292 N HN 0.543 nan 8.380 nan 0.000 0.545 293 S N -2.130 113.107 115.700 -0.773 0.000 2.687 293 S HA 0.264 4.733 4.470 -0.001 0.000 0.247 293 S C 0.274 174.640 174.600 -0.391 0.000 1.050 293 S CA -0.177 57.627 58.200 -0.660 0.000 1.063 293 S CB 1.605 64.635 63.200 -0.285 0.000 1.039 293 S HN 0.392 nan 8.310 nan 0.000 0.580 294 E N 0.184 120.292 120.200 -0.154 0.000 2.390 294 E HA 0.444 4.793 4.350 -0.001 0.000 0.280 294 E C -1.781 175.009 176.600 0.317 0.000 0.992 294 E CA -0.862 55.655 56.400 0.196 0.000 0.790 294 E CB 1.349 31.117 29.700 0.113 0.000 1.248 294 E HN 0.089 nan 8.360 nan 0.000 0.447 295 I N 3.137 123.840 120.570 0.220 0.000 2.385 295 I HA 0.168 4.337 4.170 -0.001 0.000 0.294 295 I C 0.854 176.901 176.117 -0.116 0.000 0.988 295 I CA -0.019 61.234 61.300 -0.079 0.000 1.265 295 I CB 1.369 39.084 38.000 -0.476 0.000 1.388 295 I HN 0.672 nan 8.210 nan 0.000 0.480 296 E N 2.942 123.066 120.200 -0.126 0.000 2.389 296 E HA 0.102 4.451 4.350 -0.001 0.000 0.199 296 E C 0.179 176.800 176.600 0.035 0.000 0.978 296 E CA 0.347 56.747 56.400 -0.000 0.000 0.912 296 E CB 0.628 30.336 29.700 0.013 0.000 0.907 296 E HN 0.725 nan 8.360 nan 0.000 0.494 297 S N -0.506 115.131 115.700 -0.105 0.000 2.627 297 S HA 0.490 4.959 4.470 -0.001 0.000 0.268 297 S C -1.594 172.974 174.600 -0.052 0.000 1.130 297 S CA -1.061 57.186 58.200 0.078 0.000 0.819 297 S CB 1.206 64.504 63.200 0.163 0.000 1.100 297 S HN 0.011 nan 8.310 nan 0.000 0.465 298 L N 1.625 122.947 121.223 0.164 0.000 2.349 298 L HA 0.577 4.917 4.340 -0.001 0.000 0.278 298 L C -0.941 176.033 176.870 0.172 0.000 0.996 298 L CA -0.165 54.726 54.840 0.085 0.000 0.825 298 L CB 1.181 43.326 42.059 0.144 0.000 1.243 298 L HN 0.916 nan 8.230 nan 0.000 0.412 299 H N 6.117 125.148 119.070 -0.066 0.000 2.562 299 H HA 0.524 5.079 4.556 -0.001 0.000 0.314 299 H C -0.290 174.985 175.328 -0.088 0.000 1.079 299 H CA -0.533 55.479 56.048 -0.060 0.000 1.349 299 H CB 1.263 30.994 29.762 -0.051 0.000 1.432 299 H HN 0.688 nan 8.280 nan 0.000 0.479 300 I N 0.039 120.616 120.570 0.011 0.000 2.957 300 I HA 0.423 4.593 4.170 -0.001 0.000 0.310 300 I C -0.868 175.312 176.117 0.104 0.000 1.063 300 I CA -0.942 60.338 61.300 -0.034 0.000 1.033 300 I CB 2.986 40.835 38.000 -0.251 0.000 1.230 300 I HN 0.599 nan 8.210 nan 0.000 0.447 301 H N 2.900 121.970 119.070 -0.000 0.000 3.013 301 H HA 0.219 4.774 4.556 -0.001 0.000 0.326 301 H C -1.585 173.792 175.328 0.082 0.000 0.973 301 H CA -0.635 55.432 56.048 0.033 0.000 1.369 301 H CB 1.606 31.378 29.762 0.016 0.000 1.598 301 H HN 0.791 nan 8.280 nan 0.000 0.518 302 D N 5.746 126.157 120.400 0.018 0.000 2.346 302 D HA 0.004 4.643 4.640 -0.001 0.000 0.260 302 D C 1.119 177.262 176.300 -0.261 0.000 1.252 302 D CA -0.080 53.909 54.000 -0.018 0.000 0.895 302 D CB 0.847 41.766 40.800 0.198 0.000 1.097 302 D HN 0.674 nan 8.370 nan 0.000 0.489 303 L N 4.182 125.263 121.223 -0.235 0.000 2.395 303 L HA -0.092 4.248 4.340 -0.001 0.000 0.218 303 L C 1.818 178.635 176.870 -0.088 0.000 1.130 303 L CA 0.081 54.780 54.840 -0.234 0.000 0.826 303 L CB -0.021 41.995 42.059 -0.071 0.000 0.941 303 L HN 0.506 nan 8.230 nan 0.000 0.451 304 I N -0.611 119.939 120.570 -0.033 0.000 2.385 304 I HA -0.124 4.046 4.170 -0.001 0.000 0.244 304 I C 2.706 178.833 176.117 0.017 0.000 1.089 304 I CA 1.572 62.876 61.300 0.007 0.000 1.410 304 I CB -1.120 36.896 38.000 0.028 0.000 1.117 304 I HN 0.246 nan 8.210 nan 0.000 0.429 305 S N 0.433 116.154 115.700 0.036 0.000 2.461 305 S HA 0.091 4.561 4.470 -0.001 0.000 0.228 305 S C 1.844 176.476 174.600 0.052 0.000 1.005 305 S CA 0.825 59.060 58.200 0.058 0.000 0.942 305 S CB -0.045 63.218 63.200 0.106 0.000 0.776 305 S HN 0.607 nan 8.310 nan 0.000 0.514 306 G N 1.026 109.846 108.800 0.032 0.000 2.179 306 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.260 306 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.260 306 G C -0.365 174.636 174.900 0.169 0.000 0.977 306 G CA 0.217 45.384 45.100 0.111 0.000 0.641 306 G HN 0.571 nan 8.290 nan 0.000 0.533 307 D N 0.480 120.925 120.400 0.075 0.000 2.362 307 D HA 0.498 5.137 4.640 -0.001 0.000 0.242 307 D C 0.991 177.194 176.300 -0.162 0.000 1.132 307 D CA 0.128 54.056 54.000 -0.120 0.000 0.907 307 D CB 0.583 41.225 40.800 -0.262 0.000 1.195 307 D HN 0.389 nan 8.370 nan 0.000 0.429 308 R N 0.944 121.195 120.500 -0.416 0.000 2.532 308 R HA 0.613 4.953 4.340 -0.001 0.000 0.295 308 R C -0.702 175.148 176.300 -0.749 0.000 0.968 308 R CA -0.631 55.256 56.100 -0.355 0.000 0.916 308 R CB 1.141 31.305 30.300 -0.226 0.000 1.124 308 R HN 0.292 nan 8.270 nan 0.000 0.463 309 F N -0.267 119.616 119.950 -0.113 0.000 2.626 309 F HA 0.315 4.841 4.527 -0.001 0.000 0.311 309 F C -0.054 175.634 175.800 -0.187 0.000 1.088 309 F CA -0.914 57.004 58.000 -0.136 0.000 0.949 309 F CB 1.954 40.892 39.000 -0.104 0.000 1.322 309 F HN 0.354 nan 8.300 nan 0.000 0.461 310 E N 2.374 122.604 120.200 0.051 0.000 2.158 310 E HA 0.495 4.845 4.350 -0.001 0.000 0.271 310 E C -1.468 175.206 176.600 0.123 0.000 0.911 310 E CA -0.544 55.884 56.400 0.047 0.000 0.767 310 E CB 1.045 30.750 29.700 0.007 0.000 1.120 310 E HN 0.387 nan 8.360 nan 0.000 0.405 311 I N 4.073 124.728 120.570 0.141 0.000 2.404 311 I HA 0.344 4.514 4.170 -0.001 0.000 0.293 311 I C 0.107 176.377 176.117 0.255 0.000 0.992 311 I CA -0.829 60.576 61.300 0.176 0.000 1.149 311 I CB 1.305 39.378 38.000 0.120 0.000 1.315 311 I HN 0.395 nan 8.210 nan 0.000 0.446 312 K N 4.467 125.009 120.400 0.236 0.000 2.182 312 K HA 0.840 5.159 4.320 -0.001 0.000 0.262 312 K C -0.941 175.765 176.600 0.177 0.000 0.957 312 K CA -0.331 56.099 56.287 0.239 0.000 0.842 312 K CB 2.311 34.906 32.500 0.159 0.000 1.099 312 K HN 0.845 nan 8.250 nan 0.000 0.438 313 A N 2.606 125.462 122.820 0.061 0.000 2.593 313 A HA 0.406 4.726 4.320 -0.001 0.000 0.290 313 A C -0.133 177.357 177.584 -0.158 0.000 1.126 313 A CA -0.541 51.391 52.037 -0.174 0.000 0.695 313 A CB 0.892 19.571 19.000 -0.535 0.000 1.290 313 A HN 0.639 nan 8.150 nan 0.000 0.414 314 D N -0.574 119.762 120.400 -0.107 0.000 2.194 314 D HA 0.127 4.766 4.640 -0.001 0.000 0.204 314 D C 0.255 176.464 176.300 -0.152 0.000 0.964 314 D CA 1.672 55.673 54.000 0.002 0.000 0.846 314 D CB 0.231 41.075 40.800 0.073 0.000 0.962 314 D HN 0.222 nan 8.370 nan 0.000 0.490 315 V N 0.686 120.353 119.914 -0.412 0.000 2.638 315 V HA 0.292 4.411 4.120 -0.001 0.000 0.306 315 V C -1.324 174.501 176.094 -0.449 0.000 1.052 315 V CA -0.897 61.157 62.300 -0.410 0.000 0.885 315 V CB 1.828 33.283 31.823 -0.613 0.000 0.999 315 V HN -0.073 nan 8.190 nan 0.000 0.424 316 Y N 2.898 123.186 120.300 -0.019 0.000 2.350 316 Y HA 0.719 5.269 4.550 -0.001 0.000 0.338 316 Y C -0.143 175.728 175.900 -0.048 0.000 0.961 316 Y CA -0.954 57.123 58.100 -0.038 0.000 1.100 316 Y CB 2.195 40.632 38.460 -0.038 0.000 1.179 316 Y HN 0.364 nan 8.280 nan 0.000 0.454 317 V N 5.421 125.307 119.914 -0.047 0.000 2.487 317 V HA 0.410 4.530 4.120 -0.001 0.000 0.298 317 V C -0.520 175.442 176.094 -0.219 0.000 1.028 317 V CA -0.912 61.249 62.300 -0.232 0.000 0.860 317 V CB 1.803 33.266 31.823 -0.599 0.000 0.991 317 V HN 0.600 nan 8.190 nan 0.000 0.427 318 L N 5.115 126.205 121.223 -0.221 0.000 2.276 318 L HA 0.531 4.871 4.340 -0.001 0.000 0.286 318 L C 0.338 177.102 176.870 -0.176 0.000 1.024 318 L CA -0.200 54.531 54.840 -0.180 0.000 0.826 318 L CB 1.666 43.598 42.059 -0.212 0.000 1.211 318 L HN 0.818 nan 8.230 nan 0.000 0.422 319 T N -1.684 112.799 114.554 -0.117 0.000 3.516 319 T HA 0.346 4.696 4.350 -0.001 0.000 0.245 319 T C 0.768 175.471 174.700 0.006 0.000 1.077 319 T CA -0.111 61.961 62.100 -0.046 0.000 1.222 319 T CB 1.020 69.858 68.868 -0.048 0.000 1.045 319 T HN 0.524 nan 8.240 nan 0.000 0.585 320 A N 0.822 123.654 122.820 0.019 0.000 2.251 320 A HA 0.741 5.060 4.320 -0.001 0.000 0.209 320 A C 1.415 179.073 177.584 0.124 0.000 1.187 320 A CA 0.142 52.214 52.037 0.058 0.000 0.823 320 A CB -0.727 18.304 19.000 0.051 0.000 0.846 320 A HN 1.706 nan 8.150 nan 0.000 0.486 321 G N -2.720 106.153 108.800 0.122 0.000 2.663 321 G HA2 0.278 4.238 3.960 -0.001 0.000 0.686 321 G HA3 0.278 4.238 3.960 -0.001 0.000 0.686 321 G C 0.697 175.700 174.900 0.172 0.000 1.246 321 G CA -0.284 44.900 45.100 0.141 0.000 0.795 321 G HN 1.253 nan 8.290 nan 0.000 0.627 322 A N -0.250 122.659 122.820 0.150 0.000 1.972 322 A HA 0.220 4.539 4.320 -0.001 0.000 0.219 322 A C 2.610 180.281 177.584 0.146 0.000 1.169 322 A CA 3.140 55.261 52.037 0.140 0.000 0.635 322 A CB -0.293 18.755 19.000 0.080 0.000 0.810 322 A HN 1.570 nan 8.150 nan 0.000 0.446 323 V N -1.115 118.843 119.914 0.074 0.000 2.331 323 V HA -0.176 3.943 4.120 -0.001 0.000 0.242 323 V C 2.204 178.285 176.094 -0.022 0.000 1.034 323 V CA 2.096 64.395 62.300 -0.001 0.000 1.027 323 V CB -0.969 30.740 31.823 -0.190 0.000 0.667 323 V HN 0.727 nan 8.190 nan 0.000 0.457 324 H N -0.226 118.916 119.070 0.121 0.000 2.502 324 H HA -0.016 4.539 4.556 -0.001 0.000 0.283 324 H C 2.257 177.582 175.328 -0.005 0.000 1.015 324 H CA 0.926 57.002 56.048 0.048 0.000 1.298 324 H CB 0.101 29.872 29.762 0.016 0.000 1.411 324 H HN 0.314 nan 8.280 nan 0.000 0.556 325 N N -0.130 118.639 118.700 0.115 0.000 2.069 325 N HA -0.125 4.615 4.740 -0.001 0.000 0.191 325 N C 1.756 177.242 175.510 -0.040 0.000 1.031 325 N CA 1.790 54.836 53.050 -0.007 0.000 0.852 325 N CB -0.493 37.966 38.487 -0.047 0.000 1.018 325 N HN 0.315 nan 8.380 nan 0.000 0.423 326 T N 0.821 115.428 114.554 0.089 0.000 2.746 326 T HA -0.170 4.179 4.350 -0.001 0.000 0.267 326 T C 1.838 176.410 174.700 -0.213 0.000 1.039 326 T CA 1.107 63.257 62.100 0.082 0.000 1.142 326 T CB -0.199 68.855 68.868 0.311 0.000 0.866 326 T HN 0.364 nan 8.240 nan 0.000 0.444 327 Q N 0.109 119.699 119.800 -0.350 0.000 2.084 327 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 327 Q C 2.291 178.038 176.000 -0.422 0.000 0.978 327 Q CA 1.140 56.458 55.803 -0.809 0.000 0.844 327 Q CB -0.216 28.323 28.738 -0.330 0.000 0.898 327 Q HN 0.367 nan 8.270 nan 0.000 0.426 328 L N 0.559 121.658 121.223 -0.208 0.000 2.056 328 L HA -0.105 4.235 4.340 -0.001 0.000 0.207 328 L C 1.999 178.777 176.870 -0.155 0.000 1.078 328 L CA 1.503 56.252 54.840 -0.152 0.000 0.749 328 L CB -0.631 41.357 42.059 -0.117 0.000 0.901 328 L HN 0.300 nan 8.230 nan 0.000 0.433 329 L N -1.706 119.405 121.223 -0.187 0.000 2.046 329 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 329 L C 2.426 179.307 176.870 0.020 0.000 1.077 329 L CA 1.026 55.776 54.840 -0.150 0.000 0.747 329 L CB -0.691 41.175 42.059 -0.320 0.000 0.896 329 L HN 0.083 nan 8.230 nan 0.000 0.432 330 V N -0.098 119.758 119.914 -0.097 0.000 2.427 330 V HA -0.241 3.878 4.120 -0.001 0.000 0.248 330 V C 2.117 178.177 176.094 -0.056 0.000 1.051 330 V CA 1.883 64.153 62.300 -0.049 0.000 1.048 330 V CB -0.687 31.048 31.823 -0.145 0.000 0.666 330 V HN 0.483 nan 8.190 nan 0.000 0.456 331 N N 0.156 118.781 118.700 -0.125 0.000 2.453 331 N HA -0.102 4.638 4.740 -0.001 0.000 0.183 331 N C 1.550 177.032 175.510 -0.046 0.000 1.041 331 N CA 1.176 54.178 53.050 -0.080 0.000 0.900 331 N CB -0.043 38.386 38.487 -0.096 0.000 0.961 331 N HN 0.389 nan 8.380 nan 0.000 0.443 332 S N -1.468 114.223 115.700 -0.016 0.000 2.556 332 S HA 0.323 4.792 4.470 -0.001 0.000 0.216 332 S C 1.074 175.648 174.600 -0.043 0.000 0.970 332 S CA 0.270 58.465 58.200 -0.008 0.000 0.912 332 S CB 0.481 63.722 63.200 0.068 0.000 0.790 332 S HN 0.552 nan 8.310 nan 0.000 0.504 333 G N 1.019 109.803 108.800 -0.027 0.000 2.159 333 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.227 333 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.227 333 G C -0.073 174.733 174.900 -0.156 0.000 0.986 333 G CA -0.564 44.472 45.100 -0.106 0.000 0.651 333 G HN 0.415 nan 8.290 nan 0.000 0.523 334 F N 0.929 120.844 119.950 -0.059 0.000 2.371 334 F HA 0.547 5.074 4.527 -0.001 0.000 0.329 334 F C 1.603 177.407 175.800 0.008 0.000 1.107 334 F CA 0.993 58.973 58.000 -0.034 0.000 1.137 334 F CB 1.031 39.982 39.000 -0.083 0.000 1.214 334 F HN 0.769 nan 8.300 nan 0.000 0.536 335 G N 1.902 110.840 108.800 0.230 0.000 2.574 335 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.282 335 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.282 335 G C -0.775 174.198 174.900 0.121 0.000 1.257 335 G CA 0.005 45.208 45.100 0.172 0.000 0.956 335 G HN 0.830 nan 8.290 nan 0.000 0.560 336 Q N -1.115 118.762 119.800 0.128 0.000 2.304 336 Q HA 0.628 4.967 4.340 -0.001 0.000 0.270 336 Q C -0.850 175.232 176.000 0.137 0.000 1.035 336 Q CA -1.017 54.843 55.803 0.095 0.000 0.781 336 Q CB 1.698 30.472 28.738 0.061 0.000 1.261 336 Q HN 0.819 nan 8.270 nan 0.000 0.444 337 L N 3.569 124.862 121.223 0.116 0.000 2.397 337 L HA 0.727 5.067 4.340 -0.001 0.000 0.271 337 L C 0.349 177.304 176.870 0.142 0.000 1.148 337 L CA 1.939 56.876 54.840 0.160 0.000 0.825 337 L CB 0.927 43.054 42.059 0.113 0.000 1.117 337 L HN 0.843 nan 8.230 nan 0.000 0.456 338 G N 3.636 112.576 108.800 0.234 0.000 2.710 338 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.668 338 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.668 338 G C -0.527 174.264 174.900 -0.181 0.000 1.320 338 G CA -0.289 44.902 45.100 0.150 0.000 0.860 338 G HN 0.902 nan 8.290 nan 0.000 0.538 339 R N 0.771 120.938 120.500 -0.555 0.000 2.502 339 R HA 0.348 4.688 4.340 -0.001 0.000 0.292 339 R C -1.864 174.016 176.300 -0.700 0.000 0.998 339 R CA -0.472 54.908 56.100 -1.200 0.000 1.056 339 R CB -0.017 29.869 30.300 -0.690 0.000 0.939 339 R HN 0.358 nan 8.270 nan 0.000 0.411 340 P HA -0.002 nan 4.420 nan 0.000 0.268 340 P C -1.308 175.839 177.300 -0.255 0.000 1.205 340 P CA 0.096 62.967 63.100 -0.382 0.000 0.771 340 P CB 0.509 32.004 31.700 -0.342 0.000 0.858 341 N N 2.929 121.537 118.700 -0.154 0.000 2.558 341 N HA 0.199 4.938 4.740 -0.001 0.000 0.285 341 N C -2.156 173.313 175.510 -0.068 0.000 1.112 341 N CA -1.851 51.134 53.050 -0.108 0.000 0.857 341 N CB 1.625 40.056 38.487 -0.094 0.000 1.376 341 N HN 0.061 nan 8.380 nan 0.000 0.526 342 P HA 0.011 nan 4.420 nan 0.000 0.223 342 P C 1.002 178.288 177.300 -0.025 0.000 1.151 342 P CA 0.584 63.663 63.100 -0.035 0.000 0.787 342 P CB 0.221 31.901 31.700 -0.033 0.000 0.788 343 A N -0.775 122.028 122.820 -0.029 0.000 2.121 343 A HA -0.107 4.213 4.320 -0.001 0.000 0.218 343 A C 1.468 179.041 177.584 -0.019 0.000 1.154 343 A CA 1.117 53.141 52.037 -0.022 0.000 0.679 343 A CB -0.877 18.108 19.000 -0.024 0.000 0.795 343 A HN 0.117 nan 8.150 nan 0.000 0.458 344 N N 0.074 118.761 118.700 -0.023 0.000 2.844 344 N HA 0.307 5.047 4.740 -0.001 0.000 0.268 344 N C -3.285 172.219 175.510 -0.011 0.000 1.574 344 N CA -1.865 51.175 53.050 -0.017 0.000 0.838 344 N CB 0.720 39.195 38.487 -0.021 0.000 1.177 344 N HN 0.032 nan 8.380 nan 0.000 0.495 345 P HA 0.258 nan 4.420 nan 0.000 0.272 345 P C -2.468 174.842 177.300 0.016 0.000 1.223 345 P CA -0.790 62.315 63.100 0.008 0.000 0.784 345 P CB 0.171 31.879 31.700 0.014 0.000 0.923 346 P HA 0.138 nan 4.420 nan 0.000 0.276 346 P C 0.627 177.949 177.300 0.036 0.000 1.244 346 P CA -0.259 62.861 63.100 0.035 0.000 0.801 346 P CB 1.120 32.856 31.700 0.059 0.000 1.006 347 E N 0.661 120.876 120.200 0.024 0.000 2.077 347 E HA -0.069 4.280 4.350 -0.001 0.000 0.193 347 E C -0.061 176.567 176.600 0.047 0.000 0.989 347 E CA 0.877 57.289 56.400 0.021 0.000 0.800 347 E CB -0.007 29.690 29.700 -0.004 0.000 0.746 347 E HN 0.378 nan 8.360 nan 0.000 0.452 348 L N 1.010 122.273 121.223 0.068 0.000 2.362 348 L HA 0.316 4.655 4.340 -0.001 0.000 0.275 348 L C -0.341 176.652 176.870 0.205 0.000 0.998 348 L CA -0.917 54.005 54.840 0.138 0.000 0.820 348 L CB 1.933 44.041 42.059 0.082 0.000 1.270 348 L HN 0.131 nan 8.230 nan 0.000 0.415 349 L N 3.699 125.063 121.223 0.236 0.000 3.755 349 L HA -0.179 4.160 4.340 -0.001 0.000 0.587 349 L C -1.495 175.484 176.870 0.182 0.000 1.235 349 L CA -0.506 54.472 54.840 0.229 0.000 0.876 349 L CB -0.817 41.406 42.059 0.274 0.000 1.431 349 L HN 0.583 nan 8.230 nan 0.000 0.840 350 P HA -0.112 nan 4.420 nan 0.000 0.222 350 P C 1.192 178.587 177.300 0.158 0.000 1.147 350 P CA 1.097 64.272 63.100 0.126 0.000 0.790 350 P CB 0.305 32.061 31.700 0.094 0.000 0.780 351 S N -0.608 115.206 115.700 0.189 0.000 2.593 351 S HA 0.069 4.538 4.470 -0.001 0.000 0.217 351 S C 0.815 175.572 174.600 0.262 0.000 0.966 351 S CA -0.406 57.953 58.200 0.264 0.000 0.914 351 S CB -0.656 62.702 63.200 0.263 0.000 0.776 351 S HN 0.070 nan 8.310 nan 0.000 0.523 352 L N 2.445 123.800 121.223 0.219 0.000 2.513 352 L HA 0.441 4.780 4.340 -0.001 0.000 0.272 352 L C 1.173 178.181 176.870 0.231 0.000 1.187 352 L CA 1.138 56.108 54.840 0.218 0.000 0.895 352 L CB -0.314 41.860 42.059 0.193 0.000 1.147 352 L HN 0.344 nan 8.230 nan 0.000 0.483 353 G N 2.427 111.373 108.800 0.244 0.000 2.184 353 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.264 353 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.264 353 G C 0.452 175.475 174.900 0.206 0.000 0.975 353 G CA 0.398 45.643 45.100 0.241 0.000 0.642 353 G HN 0.824 nan 8.290 nan 0.000 0.536 354 S N -1.475 114.348 115.700 0.205 0.000 2.718 354 S HA 0.647 5.116 4.470 -0.001 0.000 0.300 354 S C 0.390 175.126 174.600 0.226 0.000 1.117 354 S CA 0.133 58.397 58.200 0.105 0.000 1.002 354 S CB 0.872 64.055 63.200 -0.029 0.000 1.092 354 S HN 0.928 nan 8.310 nan 0.000 0.542 355 Y N -1.080 119.287 120.300 0.112 0.000 4.272 355 Y HA -0.198 4.351 4.550 -0.001 0.000 0.232 355 Y C 0.497 176.478 175.900 0.135 0.000 1.149 355 Y CA 0.172 58.336 58.100 0.106 0.000 1.961 355 Y CB -2.253 36.265 38.460 0.096 0.000 1.611 355 Y HN 0.621 nan 8.280 nan 0.000 0.682 356 I N 0.073 120.790 120.570 0.245 0.000 2.754 356 I HA 0.470 4.639 4.170 -0.001 0.000 0.285 356 I C 0.674 176.968 176.117 0.294 0.000 1.166 356 I CA 0.474 61.926 61.300 0.254 0.000 1.417 356 I CB 1.259 39.410 38.000 0.252 0.000 1.382 356 I HN 0.211 nan 8.210 nan 0.000 0.588 357 T N 1.909 116.599 114.554 0.226 0.000 2.893 357 T HA 0.708 5.058 4.350 -0.001 0.000 0.291 357 T C -0.681 174.064 174.700 0.076 0.000 1.028 357 T CA -0.691 61.533 62.100 0.207 0.000 0.995 357 T CB 2.135 71.065 68.868 0.104 0.000 1.051 357 T HN 0.840 nan 8.240 nan 0.000 0.470 358 E N 0.923 121.158 120.200 0.059 0.000 2.343 358 E HA 0.331 4.680 4.350 -0.001 0.000 0.278 358 E C -1.212 175.523 176.600 0.225 0.000 0.910 358 E CA -0.518 55.870 56.400 -0.020 0.000 0.757 358 E CB 2.030 31.514 29.700 -0.359 0.000 1.218 358 E HN 0.714 nan 8.360 nan 0.000 0.435 359 Q N 1.178 121.112 119.800 0.223 0.000 2.327 359 Q HA 0.444 4.783 4.340 -0.001 0.000 0.254 359 Q C -0.415 175.790 176.000 0.341 0.000 0.952 359 Q CA -0.332 55.648 55.803 0.295 0.000 0.884 359 Q CB 1.222 30.175 28.738 0.358 0.000 1.224 359 Q HN 0.456 nan 8.270 nan 0.000 0.422 360 S N 1.543 117.364 115.700 0.203 0.000 2.564 360 S HA 0.339 4.809 4.470 -0.001 0.000 0.278 360 S C -0.708 173.947 174.600 0.091 0.000 1.333 360 S CA -0.493 57.703 58.200 -0.006 0.000 1.048 360 S CB 0.408 63.508 63.200 -0.166 0.000 0.900 360 S HN 0.372 nan 8.310 nan 0.000 0.505 361 L N 4.655 125.902 121.223 0.040 0.000 2.409 361 L HA 0.698 5.038 4.340 -0.001 0.000 0.272 361 L C -0.811 175.926 176.870 -0.222 0.000 0.980 361 L CA -0.663 54.094 54.840 -0.138 0.000 0.826 361 L CB 1.584 43.546 42.059 -0.161 0.000 1.268 361 L HN 0.467 nan 8.230 nan 0.000 0.407 362 V N 2.112 121.809 119.914 -0.362 0.000 2.667 362 V HA 0.752 4.871 4.120 -0.001 0.000 0.308 362 V C -0.947 175.005 176.094 -0.237 0.000 1.048 362 V CA -0.660 61.348 62.300 -0.486 0.000 0.928 362 V CB 1.632 32.987 31.823 -0.780 0.000 1.004 362 V HN 0.801 nan 8.190 nan 0.000 0.444 363 F N 4.659 124.395 119.950 -0.356 0.000 2.601 363 F HA 0.877 5.403 4.527 -0.001 0.000 0.309 363 F C -0.392 175.276 175.800 -0.220 0.000 1.089 363 F CA -0.236 57.635 58.000 -0.215 0.000 0.940 363 F CB 1.574 40.493 39.000 -0.135 0.000 1.273 363 F HN 1.211 nan 8.300 nan 0.000 0.450 364 C N 2.683 121.286 119.300 -1.162 0.000 3.320 364 C HA 0.774 5.233 4.460 -0.001 0.000 0.335 364 C C -1.726 172.681 174.990 -0.971 0.000 1.430 364 C CA -0.740 57.605 59.018 -1.121 0.000 1.271 364 C CB 1.651 29.006 27.740 -0.642 0.000 1.609 364 C HN 0.968 nan 8.230 nan 0.000 0.457 365 Q N 0.608 120.079 119.800 -0.548 0.000 2.387 365 Q HA 0.774 5.113 4.340 -0.001 0.000 0.273 365 Q C -0.528 175.491 176.000 0.031 0.000 1.089 365 Q CA -0.221 55.497 55.803 -0.141 0.000 0.824 365 Q CB 2.668 31.306 28.738 -0.165 0.000 1.367 365 Q HN 0.939 nan 8.270 nan 0.000 0.443 366 T N -2.527 112.120 114.554 0.155 0.000 2.908 366 T HA 0.665 5.014 4.350 -0.001 0.000 0.290 366 T C -0.542 174.204 174.700 0.077 0.000 1.034 366 T CA -0.724 61.438 62.100 0.105 0.000 1.010 366 T CB 1.254 70.197 68.868 0.125 0.000 1.068 366 T HN 0.257 nan 8.240 nan 0.000 0.481 367 V N 3.143 123.071 119.914 0.022 0.000 2.370 367 V HA 0.381 4.501 4.120 -0.001 0.000 0.283 367 V C 0.419 176.515 176.094 0.003 0.000 1.023 367 V CA -0.889 61.416 62.300 0.008 0.000 0.857 367 V CB 1.021 32.839 31.823 -0.009 0.000 0.985 367 V HN 1.018 nan 8.190 nan 0.000 0.443 368 M N 4.862 124.472 119.600 0.017 0.000 2.248 368 M HA 0.063 4.542 4.480 -0.001 0.000 0.343 368 M C 0.911 177.211 176.300 -0.001 0.000 1.243 368 M CA 0.748 56.059 55.300 0.019 0.000 1.025 368 M CB 0.568 33.180 32.600 0.019 0.000 1.759 368 M HN 0.934 nan 8.290 nan 0.000 0.452 369 S N 2.511 118.209 115.700 -0.005 0.000 2.573 369 S HA 0.048 4.518 4.470 -0.001 0.000 0.277 369 S C 1.008 175.605 174.600 -0.005 0.000 1.346 369 S CA -0.057 58.133 58.200 -0.017 0.000 1.034 369 S CB 0.503 63.688 63.200 -0.025 0.000 0.879 369 S HN 0.804 nan 8.310 nan 0.000 0.528 370 T N 1.942 116.490 114.554 -0.010 0.000 2.720 370 T HA -0.135 4.215 4.350 -0.001 0.000 0.268 370 T C 1.643 176.347 174.700 0.007 0.000 1.037 370 T CA 1.855 63.954 62.100 -0.001 0.000 1.144 370 T CB -0.472 68.392 68.868 -0.006 0.000 0.864 370 T HN 0.767 nan 8.240 nan 0.000 0.444 371 E N 0.507 120.707 120.200 0.001 0.000 2.077 371 E HA -0.073 4.276 4.350 -0.001 0.000 0.193 371 E C 2.245 178.860 176.600 0.025 0.000 0.989 371 E CA 0.868 57.273 56.400 0.007 0.000 0.800 371 E CB -0.238 29.459 29.700 -0.005 0.000 0.746 371 E HN 0.445 nan 8.360 nan 0.000 0.452 372 L N 0.731 121.971 121.223 0.029 0.000 2.056 372 L HA -0.171 4.168 4.340 -0.001 0.000 0.207 372 L C 2.418 179.327 176.870 0.065 0.000 1.078 372 L CA 0.462 55.335 54.840 0.054 0.000 0.749 372 L CB -0.272 41.819 42.059 0.053 0.000 0.901 372 L HN 0.185 nan 8.230 nan 0.000 0.433 373 I N -0.010 120.585 120.570 0.041 0.000 2.208 373 I HA -0.292 3.878 4.170 -0.001 0.000 0.245 373 I C 2.078 178.226 176.117 0.052 0.000 1.097 373 I CA 1.549 62.870 61.300 0.036 0.000 1.363 373 I CB -1.080 36.931 38.000 0.017 0.000 1.051 373 I HN 0.294 nan 8.210 nan 0.000 0.413 374 D N 0.676 121.105 120.400 0.049 0.000 2.178 374 D HA -0.117 4.523 4.640 -0.001 0.000 0.202 374 D C 2.374 178.722 176.300 0.080 0.000 0.974 374 D CA 1.529 55.562 54.000 0.055 0.000 0.841 374 D CB -0.033 40.790 40.800 0.038 0.000 0.953 374 D HN 0.374 nan 8.370 nan 0.000 0.478 375 S N -0.054 115.704 115.700 0.096 0.000 2.419 375 S HA -0.122 4.347 4.470 -0.001 0.000 0.233 375 S C 2.167 176.922 174.600 0.258 0.000 1.016 375 S CA 0.762 59.053 58.200 0.153 0.000 0.974 375 S CB -0.580 62.705 63.200 0.142 0.000 0.786 375 S HN 0.079 nan 8.310 nan 0.000 0.492 376 V N 2.922 122.961 119.914 0.208 0.000 2.469 376 V HA -0.168 3.951 4.120 -0.001 0.000 0.251 376 V C 2.189 178.420 176.094 0.228 0.000 1.064 376 V CA 2.154 64.602 62.300 0.248 0.000 1.066 376 V CB -0.858 31.031 31.823 0.109 0.000 0.667 376 V HN 0.847 nan 8.190 nan 0.000 0.461 377 K N 0.125 120.619 120.400 0.156 0.000 2.514 377 K HA 0.189 4.508 4.320 -0.001 0.000 0.207 377 K C 1.582 178.243 176.600 0.102 0.000 1.035 377 K CA 0.654 57.013 56.287 0.121 0.000 1.113 377 K CB 0.236 32.792 32.500 0.093 0.000 0.846 377 K HN 0.385 nan 8.250 nan 0.000 0.491 378 S N 0.885 116.661 115.700 0.125 0.000 2.400 378 S HA -0.185 4.284 4.470 -0.001 0.000 0.232 378 S C 0.978 175.593 174.600 0.025 0.000 1.025 378 S CA 1.396 59.631 58.200 0.059 0.000 0.993 378 S CB -0.292 62.919 63.200 0.018 0.000 0.808 378 S HN 0.339 nan 8.310 nan 0.000 0.478 379 D N 0.697 121.120 120.400 0.039 0.000 2.339 379 D HA 0.248 4.887 4.640 -0.001 0.000 0.217 379 D C 0.155 176.492 176.300 0.062 0.000 1.050 379 D CA 0.229 54.238 54.000 0.015 0.000 0.856 379 D CB 0.018 40.804 40.800 -0.024 0.000 0.922 379 D HN 0.387 nan 8.370 nan 0.000 0.518 380 M N 0.389 120.026 119.600 0.062 0.000 2.314 380 M HA 0.228 4.708 4.480 -0.001 0.000 0.342 380 M C 0.288 176.616 176.300 0.048 0.000 1.171 380 M CA 0.005 55.352 55.300 0.077 0.000 1.098 380 M CB 1.178 33.817 32.600 0.065 0.000 1.559 380 M HN -0.332 nan 8.290 nan 0.000 0.459 381 T N 4.173 118.749 114.554 0.037 0.000 2.749 381 T HA 0.659 5.008 4.350 -0.001 0.000 0.287 381 T C 0.059 174.737 174.700 -0.036 0.000 0.970 381 T CA -0.324 61.776 62.100 0.001 0.000 0.980 381 T CB 0.460 69.325 68.868 -0.005 0.000 0.924 381 T HN 0.423 nan 8.240 nan 0.000 0.456 382 I N 3.791 124.339 120.570 -0.037 0.000 2.406 382 I HA 0.522 4.692 4.170 -0.001 0.000 0.290 382 I C 0.297 176.379 176.117 -0.059 0.000 0.999 382 I CA -0.798 60.451 61.300 -0.085 0.000 1.124 382 I CB 1.544 39.536 38.000 -0.012 0.000 1.289 382 I HN 0.318 nan 8.210 nan 0.000 0.441 383 R N 3.565 123.997 120.500 -0.113 0.000 2.795 383 R HA 0.775 5.114 4.340 -0.001 0.000 0.275 383 R C -0.147 176.168 176.300 0.024 0.000 0.981 383 R CA -0.646 55.433 56.100 -0.035 0.000 0.917 383 R CB 2.289 32.562 30.300 -0.045 0.000 1.202 383 R HN 0.880 nan 8.270 nan 0.000 0.469 384 G N 0.616 109.474 108.800 0.096 0.000 2.660 384 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.215 384 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.215 384 G C -0.978 174.079 174.900 0.261 0.000 1.345 384 G CA -0.519 44.677 45.100 0.160 0.000 0.877 384 G HN 0.599 nan 8.290 nan 0.000 0.549 385 T N 0.653 115.338 114.554 0.218 0.000 2.841 385 T HA 0.657 5.006 4.350 -0.001 0.000 0.285 385 T C -2.856 171.770 174.700 -0.124 0.000 0.991 385 T CA -1.269 60.876 62.100 0.075 0.000 0.966 385 T CB 2.315 71.198 68.868 0.024 0.000 0.962 385 T HN 0.527 nan 8.240 nan 0.000 0.438 386 P HA 0.213 nan 4.420 nan 0.000 0.264 386 P C 1.262 178.360 177.300 -0.337 0.000 1.183 386 P CA 1.213 63.797 63.100 -0.861 0.000 0.763 386 P CB 0.190 31.447 31.700 -0.738 0.000 0.807 387 G N 1.645 110.304 108.800 -0.236 0.000 2.225 387 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.254 387 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.254 387 G C 0.007 174.885 174.900 -0.036 0.000 0.988 387 G CA -0.240 44.803 45.100 -0.096 0.000 0.625 387 G HN 0.567 nan 8.290 nan 0.000 0.527 388 E N 0.354 120.543 120.200 -0.018 0.000 2.266 388 E HA 0.548 4.897 4.350 -0.001 0.000 0.277 388 E C 1.600 178.241 176.600 0.068 0.000 1.018 388 E CA -0.545 55.871 56.400 0.028 0.000 0.840 388 E CB 1.152 30.874 29.700 0.036 0.000 1.082 388 E HN 0.172 nan 8.360 nan 0.000 0.395 389 L N 1.369 122.621 121.223 0.048 0.000 2.149 389 L HA -0.355 3.985 4.340 -0.001 0.000 0.223 389 L C 2.466 179.374 176.870 0.063 0.000 1.089 389 L CA 2.269 57.139 54.840 0.049 0.000 0.800 389 L CB -1.246 40.831 42.059 0.031 0.000 0.897 389 L HN 0.687 nan 8.230 nan 0.000 0.443 390 T N -4.460 110.138 114.554 0.073 0.000 3.085 390 T HA -0.159 4.191 4.350 -0.001 0.000 0.263 390 T C 0.560 175.322 174.700 0.104 0.000 1.127 390 T CA -0.042 62.100 62.100 0.070 0.000 1.103 390 T CB -0.418 68.489 68.868 0.065 0.000 0.921 390 T HN 0.194 nan 8.240 nan 0.000 0.510 391 Y N 2.550 122.849 120.300 -0.001 0.000 2.465 391 Y HA 0.470 5.019 4.550 -0.001 0.000 0.331 391 Y C 0.072 175.973 175.900 0.001 0.000 1.102 391 Y CA -1.034 57.067 58.100 0.000 0.000 1.358 391 Y CB 0.570 39.028 38.460 -0.002 0.000 1.213 391 Y HN 0.146 nan 8.280 nan 0.000 0.525 392 S N 5.334 120.751 115.700 -0.471 0.000 2.614 392 S HA 0.713 5.182 4.470 -0.001 0.000 0.288 392 S C -1.956 172.333 174.600 -0.518 0.000 1.137 392 S CA -0.685 57.291 58.200 -0.373 0.000 0.992 392 S CB 0.715 63.809 63.200 -0.176 0.000 1.026 392 S HN 0.461 nan 8.310 nan 0.000 0.486 393 V N 4.818 124.509 119.914 -0.372 0.000 2.407 393 V HA 0.706 4.826 4.120 -0.001 0.000 0.291 393 V C 0.173 176.233 176.094 -0.056 0.000 1.018 393 V CA -0.479 61.692 62.300 -0.215 0.000 0.842 393 V CB 1.180 32.912 31.823 -0.151 0.000 0.996 393 V HN 1.010 nan 8.190 nan 0.000 0.426 394 T N 1.866 116.414 114.554 -0.010 0.000 2.883 394 T HA 0.891 5.240 4.350 -0.001 0.000 0.296 394 T C -0.986 173.796 174.700 0.137 0.000 1.117 394 T CA -0.736 61.383 62.100 0.031 0.000 1.006 394 T CB 2.437 71.279 68.868 -0.044 0.000 1.191 394 T HN 0.853 nan 8.240 nan 0.000 0.508 395 Y N -1.817 118.472 120.300 -0.018 0.000 2.655 395 Y HA 0.765 5.314 4.550 -0.001 0.000 0.336 395 Y C -1.055 174.837 175.900 -0.014 0.000 1.154 395 Y CA -1.274 56.818 58.100 -0.014 0.000 1.055 395 Y CB 0.888 39.347 38.460 -0.001 0.000 1.295 395 Y HN 0.640 nan 8.280 nan 0.000 0.465 396 T N 4.034 118.569 114.554 -0.031 0.000 2.801 396 T HA 0.418 4.768 4.350 -0.001 0.000 0.306 396 T C -2.829 171.862 174.700 -0.016 0.000 1.020 396 T CA -1.341 60.689 62.100 -0.117 0.000 0.948 396 T CB 0.718 69.565 68.868 -0.034 0.000 0.962 396 T HN 0.343 nan 8.240 nan 0.000 0.465 397 P HA 0.242 nan 4.420 nan 0.000 0.265 397 P C 1.088 178.416 177.300 0.046 0.000 1.193 397 P CA 0.678 63.819 63.100 0.068 0.000 0.765 397 P CB 0.403 32.103 31.700 0.000 0.000 0.823 398 G N 1.712 110.554 108.800 0.070 0.000 2.162 398 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.260 398 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.260 398 G C 0.416 175.323 174.900 0.012 0.000 0.976 398 G CA 0.007 45.127 45.100 0.033 0.000 0.655 398 G HN 0.852 nan 8.290 nan 0.000 0.533 399 A N 0.544 123.373 122.820 0.015 0.000 2.450 399 A HA 0.697 5.016 4.320 -0.001 0.000 0.255 399 A C 1.701 179.272 177.584 -0.022 0.000 1.096 399 A CA 1.149 53.183 52.037 -0.004 0.000 0.778 399 A CB 0.442 19.442 19.000 0.000 0.000 1.031 399 A HN 1.664 nan 8.150 nan 0.000 0.494 400 S N 1.688 117.372 115.700 -0.027 0.000 2.423 400 S HA -0.171 4.298 4.470 -0.001 0.000 0.231 400 S C 1.512 176.077 174.600 -0.058 0.000 1.014 400 S CA 1.713 59.890 58.200 -0.039 0.000 0.965 400 S CB -0.941 62.240 63.200 -0.031 0.000 0.785 400 S HN 1.091 nan 8.310 nan 0.000 0.495 401 T N -0.395 114.126 114.554 -0.055 0.000 3.085 401 T HA 0.102 4.452 4.350 -0.001 0.000 0.263 401 T C 0.552 175.191 174.700 -0.102 0.000 1.127 401 T CA -0.091 61.967 62.100 -0.070 0.000 1.103 401 T CB -0.745 68.092 68.868 -0.053 0.000 0.921 401 T HN 0.254 nan 8.240 nan 0.000 0.510 402 N N 2.433 121.073 118.700 -0.101 0.000 2.412 402 N HA 0.081 4.821 4.740 -0.001 0.000 0.254 402 N C 0.985 176.334 175.510 -0.267 0.000 1.232 402 N CA -0.039 52.918 53.050 -0.155 0.000 0.880 402 N CB 0.718 39.136 38.487 -0.114 0.000 1.076 402 N HN 0.214 nan 8.380 nan 0.000 0.458 403 K N 1.277 121.418 120.400 -0.432 0.000 2.361 403 K HA 0.043 4.362 4.320 -0.001 0.000 0.196 403 K C 0.008 176.057 176.600 -0.919 0.000 1.039 403 K CA 0.789 56.677 56.287 -0.665 0.000 1.001 403 K CB 0.131 32.118 32.500 -0.855 0.000 0.795 403 K HN 0.571 nan 8.250 nan 0.000 0.495 404 H N 0.123 118.864 119.070 -0.548 0.000 2.679 404 H HA 0.348 4.903 4.556 -0.001 0.000 0.367 404 H C -2.371 172.599 175.328 -0.598 0.000 1.162 404 H CA -2.603 52.941 56.048 -0.840 0.000 1.181 404 H CB 1.405 30.229 29.762 -1.563 0.000 1.693 404 H HN -0.180 nan 8.280 nan 0.000 0.538 405 P HA 0.014 nan 4.420 nan 0.000 0.272 405 P C 0.482 177.530 177.300 -0.421 0.000 1.240 405 P CA -0.241 62.595 63.100 -0.441 0.000 0.791 405 P CB 1.106 32.445 31.700 -0.601 0.000 0.978 406 D N 0.272 120.573 120.400 -0.165 0.000 2.149 406 D HA -0.150 4.489 4.640 -0.001 0.000 0.198 406 D C 1.880 178.191 176.300 0.018 0.000 0.990 406 D CA 1.266 55.266 54.000 -0.001 0.000 0.839 406 D CB -0.480 40.411 40.800 0.153 0.000 0.948 406 D HN 0.609 nan 8.370 nan 0.000 0.460 407 W N 0.185 121.563 121.300 0.129 0.000 2.363 407 W HA -0.150 4.510 4.660 -0.001 0.000 0.296 407 W C 1.986 178.587 176.519 0.136 0.000 1.212 407 W CA 0.197 57.614 57.345 0.119 0.000 1.260 407 W CB -1.375 28.147 29.460 0.103 0.000 1.131 407 W HN 0.061 nan 8.180 nan 0.000 0.530 408 W N 3.464 124.359 121.300 -0.676 0.000 2.378 408 W HA -0.157 4.502 4.660 -0.001 0.000 0.313 408 W C 1.920 178.210 176.519 -0.382 0.000 1.197 408 W CA 1.686 58.667 57.345 -0.605 0.000 1.304 408 W CB -1.028 27.811 29.460 -1.036 0.000 1.148 408 W HN -0.112 nan 8.180 nan 0.000 0.494 409 N N 1.017 119.662 118.700 -0.092 0.000 2.166 409 N HA -0.218 4.521 4.740 -0.001 0.000 0.186 409 N C 1.522 176.759 175.510 -0.456 0.000 1.019 409 N CA 2.044 54.822 53.050 -0.454 0.000 0.856 409 N CB -0.724 37.106 38.487 -1.095 0.000 0.993 409 N HN 0.247 nan 8.380 nan 0.000 0.426 410 E N 1.378 121.462 120.200 -0.194 0.000 2.077 410 E HA -0.106 4.243 4.350 -0.001 0.000 0.193 410 E C 1.578 178.234 176.600 0.094 0.000 0.989 410 E CA 1.396 57.863 56.400 0.112 0.000 0.800 410 E CB 0.056 29.891 29.700 0.224 0.000 0.746 410 E HN 0.282 nan 8.360 nan 0.000 0.452 411 K N -0.633 119.810 120.400 0.071 0.000 2.097 411 K HA -0.047 4.272 4.320 -0.001 0.000 0.205 411 K C 2.093 178.710 176.600 0.029 0.000 1.050 411 K CA 1.207 57.528 56.287 0.057 0.000 0.938 411 K CB -0.028 32.494 32.500 0.036 0.000 0.718 411 K HN 0.005 nan 8.250 nan 0.000 0.442 412 V N 2.094 121.996 119.914 -0.021 0.000 2.358 412 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 412 V C 2.377 178.519 176.094 0.080 0.000 1.047 412 V CA 1.635 63.938 62.300 0.005 0.000 1.035 412 V CB -0.399 31.424 31.823 0.001 0.000 0.658 412 V HN 0.340 nan 8.190 nan 0.000 0.452 413 K N 0.341 120.782 120.400 0.069 0.000 2.026 413 K HA -0.236 4.084 4.320 -0.001 0.000 0.208 413 K C 1.983 178.652 176.600 0.114 0.000 1.048 413 K CA 2.004 58.363 56.287 0.120 0.000 0.929 413 K CB -0.244 32.398 32.500 0.236 0.000 0.713 413 K HN 0.412 nan 8.250 nan 0.000 0.439 414 N N 0.395 119.169 118.700 0.123 0.000 2.188 414 N HA -0.169 4.570 4.740 -0.001 0.000 0.184 414 N C 1.777 177.359 175.510 0.121 0.000 1.018 414 N CA 1.318 54.434 53.050 0.110 0.000 0.858 414 N CB -0.601 37.956 38.487 0.117 0.000 0.989 414 N HN 0.442 nan 8.380 nan 0.000 0.426 415 H N 0.592 119.698 119.070 0.060 0.000 2.321 415 H HA 0.090 4.645 4.556 -0.001 0.000 0.300 415 H C 2.017 177.401 175.328 0.093 0.000 1.087 415 H CA 1.740 57.834 56.048 0.076 0.000 1.319 415 H CB -0.084 29.633 29.762 -0.076 0.000 1.379 415 H HN 0.098 nan 8.280 nan 0.000 0.501 416 M N -0.867 118.721 119.600 -0.021 0.000 2.254 416 M HA -0.112 4.367 4.480 -0.001 0.000 0.265 416 M C 1.911 178.259 176.300 0.080 0.000 1.066 416 M CA 1.061 56.357 55.300 -0.007 0.000 1.123 416 M CB 0.092 32.768 32.600 0.127 0.000 1.388 416 M HN 0.371 nan 8.290 nan 0.000 0.425 417 M N -0.539 119.096 119.600 0.058 0.000 2.287 417 M HA -0.099 4.381 4.480 -0.001 0.000 0.266 417 M C 1.731 178.029 176.300 -0.004 0.000 1.079 417 M CA 1.592 56.938 55.300 0.077 0.000 1.146 417 M CB -0.534 32.086 32.600 0.034 0.000 1.374 417 M HN 0.314 nan 8.290 nan 0.000 0.435 418 Q N -1.093 118.638 119.800 -0.115 0.000 2.398 418 Q HA -0.012 4.328 4.340 -0.001 0.000 0.204 418 Q C -0.008 175.649 176.000 -0.573 0.000 0.932 418 Q CA 0.607 56.229 55.803 -0.301 0.000 0.916 418 Q CB 0.492 29.028 28.738 -0.336 0.000 1.024 418 Q HN 0.496 nan 8.270 nan 0.000 0.504 419 H N 0.372 119.371 119.070 -0.118 0.000 2.336 419 H HA 0.198 4.754 4.556 -0.001 0.000 0.230 419 H C 0.089 175.329 175.328 -0.147 0.000 1.426 419 H CA -0.089 55.887 56.048 -0.121 0.000 1.359 419 H CB 0.526 30.164 29.762 -0.207 0.000 1.555 419 H HN 0.255 nan 8.280 nan 0.000 0.512 420 Q N 0.613 120.392 119.800 -0.035 0.000 2.437 420 Q HA -0.109 4.230 4.340 -0.001 0.000 0.210 420 Q C 1.712 177.649 176.000 -0.105 0.000 0.972 420 Q CA 0.861 56.600 55.803 -0.106 0.000 0.903 420 Q CB 0.442 29.083 28.738 -0.162 0.000 0.967 420 Q HN 0.512 nan 8.270 nan 0.000 0.486 421 E N 0.939 121.130 120.200 -0.016 0.000 2.371 421 E HA -0.082 4.267 4.350 -0.001 0.000 0.194 421 E C -0.267 176.360 176.600 0.044 0.000 1.012 421 E CA 0.419 56.823 56.400 0.006 0.000 0.860 421 E CB -0.062 29.662 29.700 0.040 0.000 0.811 421 E HN 0.141 nan 8.360 nan 0.000 0.502 422 D N 2.452 122.897 120.400 0.076 0.000 2.312 422 D HA 0.099 4.738 4.640 -0.001 0.000 0.252 422 D C -1.487 174.856 176.300 0.072 0.000 1.150 422 D CA -1.892 52.180 54.000 0.121 0.000 0.870 422 D CB 1.481 42.389 40.800 0.179 0.000 1.153 422 D HN -0.128 nan 8.370 nan 0.000 0.457 423 P HA 0.092 nan 4.420 nan 0.000 0.249 423 P C -0.218 177.120 177.300 0.063 0.000 1.229 423 P CA 0.173 63.305 63.100 0.053 0.000 0.788 423 P CB 0.410 32.134 31.700 0.040 0.000 1.072 424 L N 1.605 122.879 121.223 0.084 0.000 2.331 424 L HA 0.372 4.711 4.340 -0.001 0.000 0.275 424 L C -1.395 175.519 176.870 0.073 0.000 1.022 424 L CA -2.316 52.552 54.840 0.047 0.000 0.812 424 L CB 2.341 44.395 42.059 -0.007 0.000 1.257 424 L HN -0.310 nan 8.230 nan 0.000 0.435 425 P HA 0.089 nan 4.420 nan 0.000 0.245 425 P C 0.226 177.424 177.300 -0.170 0.000 1.206 425 P CA 0.586 63.705 63.100 0.031 0.000 0.781 425 P CB 0.429 32.145 31.700 0.027 0.000 0.994 426 I N 2.146 122.513 120.570 -0.338 0.000 2.371 426 I HA 0.224 4.393 4.170 -0.001 0.000 0.290 426 I C -2.162 173.470 176.117 -0.807 0.000 1.028 426 I CA -2.760 58.271 61.300 -0.448 0.000 1.345 426 I CB 0.810 38.632 38.000 -0.296 0.000 1.407 426 I HN -0.244 nan 8.210 nan 0.000 0.501 427 P HA 0.019 nan 4.420 nan 0.000 0.268 427 P C 0.286 177.311 177.300 -0.459 0.000 1.208 427 P CA -0.019 62.664 63.100 -0.694 0.000 0.777 427 P CB 0.374 31.927 31.700 -0.244 0.000 0.875 428 F N 0.443 120.256 119.950 -0.228 0.000 2.171 428 F HA -0.116 4.411 4.527 -0.001 0.000 0.300 428 F C 1.735 177.486 175.800 -0.081 0.000 1.090 428 F CA 1.568 59.486 58.000 -0.136 0.000 1.293 428 F CB -0.867 38.070 39.000 -0.106 0.000 1.013 428 F HN 0.390 nan 8.300 nan 0.000 0.486 429 E N -0.143 120.128 120.200 0.118 0.000 2.419 429 E HA -0.006 4.343 4.350 -0.001 0.000 0.190 429 E C -0.294 176.320 176.600 0.025 0.000 1.040 429 E CA -0.206 56.239 56.400 0.075 0.000 0.900 429 E CB -0.256 29.490 29.700 0.077 0.000 1.054 429 E HN 0.201 nan 8.360 nan 0.000 0.462 430 D N 2.458 122.848 120.400 -0.016 0.000 2.417 430 D HA 0.044 4.683 4.640 -0.001 0.000 0.250 430 D C -2.288 174.022 176.300 0.016 0.000 1.166 430 D CA -1.747 52.230 54.000 -0.037 0.000 0.881 430 D CB 0.843 41.580 40.800 -0.106 0.000 1.164 430 D HN -0.129 nan 8.370 nan 0.000 0.467 431 P HA 0.061 nan 4.420 nan 0.000 0.271 431 P C -0.342 177.068 177.300 0.183 0.000 1.233 431 P CA -0.324 62.866 63.100 0.151 0.000 0.789 431 P CB 0.325 32.127 31.700 0.170 0.000 0.951 432 E N 1.892 122.216 120.200 0.207 0.000 2.392 432 E HA 0.160 4.509 4.350 -0.001 0.000 0.259 432 E C -2.418 174.214 176.600 0.054 0.000 1.108 432 E CA -1.875 54.576 56.400 0.084 0.000 0.916 432 E CB -0.895 28.813 29.700 0.013 0.000 0.989 432 E HN 0.231 nan 8.360 nan 0.000 0.432 433 P HA 0.026 nan 4.420 nan 0.000 0.269 433 P C -0.479 176.825 177.300 0.007 0.000 1.215 433 P CA 0.121 63.289 63.100 0.115 0.000 0.780 433 P CB 0.368 32.083 31.700 0.024 0.000 0.898 434 Q N 0.691 120.611 119.800 0.200 0.000 3.557 434 Q HA 0.286 4.625 4.340 -0.001 0.000 0.264 434 Q C -1.088 175.004 176.000 0.154 0.000 0.850 434 Q CA -0.281 55.499 55.803 -0.038 0.000 0.833 434 Q CB 1.055 29.506 28.738 -0.478 0.000 1.505 434 Q HN 0.178 nan 8.270 nan 0.000 0.402 435 V N 0.603 120.567 119.914 0.083 0.000 2.547 435 V HA 0.719 4.839 4.120 -0.001 0.000 0.299 435 V C 0.216 176.327 176.094 0.028 0.000 1.040 435 V CA -0.358 61.988 62.300 0.076 0.000 0.913 435 V CB 1.998 33.806 31.823 -0.026 0.000 0.992 435 V HN 0.417 nan 8.190 nan 0.000 0.449 436 T N 1.850 116.455 114.554 0.084 0.000 2.916 436 T HA 0.483 4.832 4.350 -0.001 0.000 0.305 436 T C -0.870 173.796 174.700 -0.056 0.000 1.119 436 T CA -0.324 61.772 62.100 -0.006 0.000 1.008 436 T CB 1.841 70.690 68.868 -0.032 0.000 1.129 436 T HN 0.825 nan 8.240 nan 0.000 0.480 437 T N 4.694 119.063 114.554 -0.308 0.000 2.772 437 T HA 0.605 4.954 4.350 -0.001 0.000 0.288 437 T C -0.082 174.490 174.700 -0.214 0.000 0.994 437 T CA -0.625 61.144 62.100 -0.551 0.000 0.951 437 T CB -0.145 67.957 68.868 -1.277 0.000 0.933 437 T HN 0.515 nan 8.240 nan 0.000 0.447 438 L N 4.448 125.625 121.223 -0.077 0.000 2.452 438 L HA 0.391 4.730 4.340 -0.001 0.000 0.267 438 L C 0.767 177.661 176.870 0.040 0.000 1.188 438 L CA -0.939 53.940 54.840 0.064 0.000 0.821 438 L CB 0.179 42.270 42.059 0.053 0.000 1.102 438 L HN 0.618 nan 8.230 nan 0.000 0.470 439 F N 2.811 122.703 119.950 -0.098 0.000 2.604 439 F HA -0.090 4.437 4.527 -0.001 0.000 0.390 439 F C 0.309 175.859 175.800 -0.416 0.000 1.053 439 F CA 0.673 58.518 58.000 -0.259 0.000 1.256 439 F CB 0.116 39.020 39.000 -0.161 0.000 0.996 439 F HN 0.405 nan 8.300 nan 0.000 0.564 440 Q N 6.444 125.743 119.800 -0.836 0.000 2.501 440 Q HA 0.266 4.605 4.340 -0.001 0.000 0.288 440 Q C -2.051 173.479 176.000 -0.785 0.000 1.051 440 Q CA -1.749 53.638 55.803 -0.694 0.000 0.788 440 Q CB 1.328 29.555 28.738 -0.851 0.000 1.469 440 Q HN 0.230 nan 8.270 nan 0.000 0.416 441 P HA -0.172 nan 4.420 nan 0.000 0.216 441 P C 1.129 178.199 177.300 -0.383 0.000 1.150 441 P CA 1.913 64.820 63.100 -0.322 0.000 0.843 441 P CB 0.245 31.855 31.700 -0.149 0.000 0.787 442 S N -1.627 113.851 115.700 -0.369 0.000 2.562 442 S HA -0.079 4.391 4.470 -0.001 0.000 0.221 442 S C 0.440 174.856 174.600 -0.306 0.000 0.975 442 S CA 0.089 58.151 58.200 -0.230 0.000 0.918 442 S CB -1.257 61.910 63.200 -0.055 0.000 0.772 442 S HN 0.432 nan 8.310 nan 0.000 0.531 443 H N -1.588 117.032 119.070 -0.750 0.000 2.643 443 H HA 0.430 4.985 4.556 -0.001 0.000 0.229 443 H C -3.264 170.915 175.328 -1.916 0.000 1.410 443 H CA -1.610 53.613 56.048 -1.375 0.000 1.458 443 H CB 0.234 29.476 29.762 -0.867 0.000 1.792 443 H HN 0.061 nan 8.280 nan 0.000 0.563 444 P HA 0.075 nan 4.420 nan 0.000 0.226 444 P C -1.213 175.490 177.300 -0.995 0.000 1.783 444 P CA 0.254 62.261 63.100 -1.822 0.000 0.980 444 P CB -1.092 30.080 31.700 -0.881 0.000 1.967 445 W N -0.395 120.610 121.300 -0.492 0.000 3.167 445 W HA 0.513 5.172 4.660 -0.001 0.000 0.324 445 W C -0.846 175.778 176.519 0.175 0.000 1.230 445 W CA -1.300 56.079 57.345 0.058 0.000 1.184 445 W CB 0.055 29.558 29.460 0.071 0.000 1.414 445 W HN -0.018 nan 8.180 nan 0.000 0.551 446 H N 1.281 120.637 119.070 0.476 0.000 2.562 446 H HA 0.652 5.207 4.556 -0.001 0.000 0.352 446 H C -0.068 175.423 175.328 0.270 0.000 1.125 446 H CA 0.583 56.809 56.048 0.298 0.000 1.379 446 H CB 1.353 31.245 29.762 0.217 0.000 1.464 446 H HN 0.573 nan 8.280 nan 0.000 0.563 447 T N 2.106 116.317 114.554 -0.572 0.000 2.876 447 T HA 0.530 4.879 4.350 -0.001 0.000 0.289 447 T C -0.779 173.623 174.700 -0.497 0.000 1.014 447 T CA -1.115 60.671 62.100 -0.524 0.000 0.986 447 T CB 1.678 70.133 68.868 -0.688 0.000 1.021 447 T HN 0.664 nan 8.240 nan 0.000 0.458 448 Q N 1.718 121.422 119.800 -0.160 0.000 2.285 448 Q HA 0.545 4.884 4.340 -0.001 0.000 0.269 448 Q C -1.254 174.609 176.000 -0.227 0.000 1.030 448 Q CA -0.606 55.007 55.803 -0.317 0.000 0.788 448 Q CB 2.643 31.060 28.738 -0.535 0.000 1.266 448 Q HN 0.717 nan 8.270 nan 0.000 0.438 449 I N 3.765 124.179 120.570 -0.261 0.000 2.537 449 I HA 0.360 4.529 4.170 -0.001 0.000 0.276 449 I C -0.411 175.603 176.117 -0.173 0.000 1.063 449 I CA -0.249 60.801 61.300 -0.415 0.000 1.144 449 I CB 0.379 38.022 38.000 -0.596 0.000 1.252 449 I HN 0.760 nan 8.210 nan 0.000 0.480 450 H N 3.698 122.591 119.070 -0.296 0.000 3.150 450 H HA 0.661 5.216 4.556 -0.001 0.000 0.270 450 H C -1.216 174.037 175.328 -0.125 0.000 1.573 450 H CA -1.335 54.606 56.048 -0.179 0.000 1.195 450 H CB 1.407 31.086 29.762 -0.139 0.000 1.874 450 H HN 0.095 nan 8.280 nan 0.000 0.691 451 R N 1.174 121.474 120.500 -0.333 0.000 2.621 451 R HA 0.297 4.636 4.340 -0.001 0.000 0.284 451 R C -1.714 174.326 176.300 -0.433 0.000 0.998 451 R CA -0.634 55.258 56.100 -0.346 0.000 0.895 451 R CB 1.855 32.086 30.300 -0.115 0.000 1.195 451 R HN 0.931 nan 8.270 nan 0.000 0.450 452 D N 0.204 120.381 120.400 -0.372 0.000 2.645 452 D HA 0.455 5.094 4.640 -0.001 0.000 0.228 452 D C -0.523 175.759 176.300 -0.030 0.000 1.148 452 D CA -0.765 53.107 54.000 -0.212 0.000 0.860 452 D CB 1.253 41.922 40.800 -0.219 0.000 1.548 452 D HN 0.456 nan 8.370 nan 0.000 0.460 453 A N 0.633 123.461 122.820 0.012 0.000 2.609 453 A HA 0.368 4.687 4.320 -0.001 0.000 0.232 453 A C -0.628 177.018 177.584 0.103 0.000 1.041 453 A CA 0.285 52.376 52.037 0.091 0.000 0.753 453 A CB -0.529 18.557 19.000 0.142 0.000 0.966 453 A HN 0.577 nan 8.150 nan 0.000 0.510 454 F N 1.174 121.054 119.950 -0.116 0.000 2.641 454 F HA 0.492 5.018 4.527 -0.001 0.000 0.308 454 F C 0.068 175.658 175.800 -0.350 0.000 1.105 454 F CA -0.148 57.671 58.000 -0.302 0.000 0.964 454 F CB 1.872 40.587 39.000 -0.476 0.000 1.294 454 F HN 0.570 nan 8.300 nan 0.000 0.442 455 S N 3.707 118.782 115.700 -1.042 0.000 2.464 455 S HA 0.420 4.890 4.470 -0.001 0.000 0.313 455 S C -1.260 173.026 174.600 -0.523 0.000 1.078 455 S CA -0.451 57.389 58.200 -0.600 0.000 1.096 455 S CB -0.467 62.408 63.200 -0.543 0.000 1.032 455 S HN 0.457 nan 8.310 nan 0.000 0.498 456 Y N 2.340 122.709 120.300 0.115 0.000 2.393 456 Y HA 0.469 5.018 4.550 -0.001 0.000 0.338 456 Y C 1.554 177.519 175.900 0.108 0.000 1.029 456 Y CA -0.047 58.200 58.100 0.244 0.000 1.239 456 Y CB 0.202 38.813 38.460 0.252 0.000 1.170 456 Y HN 0.849 nan 8.280 nan 0.000 0.515 457 G N 1.309 110.256 108.800 0.244 0.000 2.760 457 G HA2 0.166 4.125 3.960 -0.001 0.000 0.236 457 G HA3 0.166 4.125 3.960 -0.001 0.000 0.236 457 G C 0.867 175.862 174.900 0.159 0.000 1.243 457 G CA 0.051 45.244 45.100 0.155 0.000 0.850 457 G HN 0.887 nan 8.290 nan 0.000 0.595 458 A N 0.168 123.048 122.820 0.101 0.000 2.067 458 A HA 0.153 4.472 4.320 -0.001 0.000 0.217 458 A C 2.405 180.032 177.584 0.071 0.000 1.156 458 A CA 1.434 53.520 52.037 0.080 0.000 0.683 458 A CB -0.132 18.901 19.000 0.054 0.000 0.808 458 A HN 0.506 nan 8.150 nan 0.000 0.455 459 V N -0.119 119.840 119.914 0.076 0.000 2.346 459 V HA -0.258 3.861 4.120 -0.001 0.000 0.244 459 V C 2.541 178.676 176.094 0.068 0.000 1.037 459 V CA 2.001 64.338 62.300 0.062 0.000 1.029 459 V CB -0.917 30.942 31.823 0.060 0.000 0.663 459 V HN 0.606 nan 8.190 nan 0.000 0.454 460 Q N -0.197 119.670 119.800 0.112 0.000 2.124 460 Q HA -0.265 4.074 4.340 -0.001 0.000 0.202 460 Q C 2.258 178.273 176.000 0.026 0.000 0.977 460 Q CA 1.508 57.381 55.803 0.117 0.000 0.850 460 Q CB -0.278 28.633 28.738 0.288 0.000 0.901 460 Q HN 0.664 nan 8.270 nan 0.000 0.429 461 Q N -0.055 119.784 119.800 0.065 0.000 2.458 461 Q HA -0.166 4.173 4.340 -0.001 0.000 0.215 461 Q C 1.938 177.928 176.000 -0.017 0.000 0.989 461 Q CA 0.939 56.746 55.803 0.005 0.000 0.895 461 Q CB -0.149 28.628 28.738 0.066 0.000 0.934 461 Q HN 0.172 nan 8.270 nan 0.000 0.475 462 S N -0.373 115.326 115.700 -0.002 0.000 2.461 462 S HA -0.011 4.459 4.470 -0.001 0.000 0.228 462 S C 0.703 175.290 174.600 -0.021 0.000 1.005 462 S CA 0.099 58.297 58.200 -0.003 0.000 0.942 462 S CB 0.283 63.489 63.200 0.011 0.000 0.776 462 S HN 0.132 nan 8.310 nan 0.000 0.514 463 I N 2.723 123.265 120.570 -0.047 0.000 2.353 463 I HA 0.273 4.442 4.170 -0.001 0.000 0.293 463 I C 0.341 176.408 176.117 -0.084 0.000 0.992 463 I CA -1.031 60.235 61.300 -0.057 0.000 1.268 463 I CB 0.934 38.895 38.000 -0.065 0.000 1.387 463 I HN 0.158 nan 8.210 nan 0.000 0.478 464 D N 3.961 124.332 120.400 -0.048 0.000 2.493 464 D HA -0.063 4.577 4.640 -0.001 0.000 0.240 464 D C 1.202 177.460 176.300 -0.070 0.000 1.142 464 D CA 0.214 54.191 54.000 -0.038 0.000 0.872 464 D CB 1.203 42.004 40.800 0.002 0.000 1.173 464 D HN 0.657 nan 8.370 nan 0.000 0.467 465 S N 4.235 119.889 115.700 -0.077 0.000 2.419 465 S HA -0.163 4.306 4.470 -0.001 0.000 0.233 465 S C 1.668 176.238 174.600 -0.050 0.000 1.016 465 S CA 0.548 58.687 58.200 -0.102 0.000 0.974 465 S CB -0.031 63.127 63.200 -0.069 0.000 0.786 465 S HN 0.549 nan 8.310 nan 0.000 0.492 466 R N 0.728 121.212 120.500 -0.026 0.000 2.193 466 R HA 0.175 4.514 4.340 -0.001 0.000 0.229 466 R C 1.834 178.114 176.300 -0.034 0.000 1.110 466 R CA 1.108 57.190 56.100 -0.030 0.000 0.988 466 R CB -0.535 29.737 30.300 -0.046 0.000 0.871 466 R HN 0.459 nan 8.270 nan 0.000 0.458 467 L N 0.343 121.547 121.223 -0.033 0.000 2.418 467 L HA 0.097 4.436 4.340 -0.001 0.000 0.218 467 L C 0.756 177.621 176.870 -0.008 0.000 1.125 467 L CA 0.266 55.093 54.840 -0.021 0.000 0.835 467 L CB 0.036 42.082 42.059 -0.022 0.000 0.953 467 L HN 0.062 nan 8.230 nan 0.000 0.454 468 I N 0.311 120.868 120.570 -0.022 0.000 2.365 468 I HA 0.210 4.379 4.170 -0.001 0.000 0.291 468 I C -0.567 175.561 176.117 0.018 0.000 1.004 468 I CA -0.317 60.981 61.300 -0.003 0.000 1.311 468 I CB 1.621 39.594 38.000 -0.046 0.000 1.401 468 I HN -0.283 nan 8.210 nan 0.000 0.491 469 V N 5.059 125.007 119.914 0.057 0.000 2.588 469 V HA 0.315 4.434 4.120 -0.001 0.000 0.304 469 V C -0.752 175.350 176.094 0.013 0.000 1.042 469 V CA -0.847 61.458 62.300 0.008 0.000 0.877 469 V CB 2.075 33.906 31.823 0.012 0.000 0.996 469 V HN 0.587 nan 8.190 nan 0.000 0.425 470 D N 2.655 122.994 120.400 -0.102 0.000 2.225 470 D HA 0.487 5.126 4.640 -0.001 0.000 0.249 470 D C -1.006 175.215 176.300 -0.132 0.000 1.052 470 D CA 0.109 54.088 54.000 -0.036 0.000 0.909 470 D CB 1.316 42.123 40.800 0.012 0.000 1.186 470 D HN 0.450 nan 8.370 nan 0.000 0.431 471 W N 1.265 122.544 121.300 -0.035 0.000 2.554 471 W HA 0.425 5.084 4.660 -0.001 0.000 0.324 471 W C 0.038 176.587 176.519 0.050 0.000 1.018 471 W CA -0.838 56.515 57.345 0.013 0.000 1.243 471 W CB 1.228 30.577 29.460 -0.186 0.000 1.345 471 W HN -0.063 nan 8.180 nan 0.000 0.441 472 R N 3.088 123.803 120.500 0.358 0.000 2.451 472 R HA 0.532 4.871 4.340 -0.001 0.000 0.307 472 R C -1.475 175.006 176.300 0.303 0.000 0.965 472 R CA -0.845 55.371 56.100 0.192 0.000 0.865 472 R CB 1.600 31.975 30.300 0.124 0.000 1.174 472 R HN 0.138 nan 8.270 nan 0.000 0.455 473 F N 3.038 122.846 119.950 -0.237 0.000 2.458 473 F HA 0.497 5.023 4.527 -0.001 0.000 0.336 473 F C -0.288 175.393 175.800 -0.197 0.000 1.114 473 F CA -1.662 56.285 58.000 -0.088 0.000 0.987 473 F CB 1.057 39.967 39.000 -0.149 0.000 1.130 473 F HN 0.299 nan 8.300 nan 0.000 0.458 474 F N 1.247 121.390 119.950 0.321 0.000 2.449 474 F HA 0.656 5.183 4.527 -0.001 0.000 0.342 474 F C 0.670 176.680 175.800 0.352 0.000 1.127 474 F CA -1.072 57.114 58.000 0.310 0.000 0.975 474 F CB 1.492 40.719 39.000 0.380 0.000 1.146 474 F HN 0.528 nan 8.300 nan 0.000 0.444 475 G N 2.100 111.155 108.800 0.425 0.000 2.477 475 G HA2 0.620 4.579 3.960 -0.001 0.000 0.304 475 G HA3 0.620 4.579 3.960 -0.001 0.000 0.304 475 G C -0.817 174.275 174.900 0.319 0.000 1.175 475 G CA -1.052 44.281 45.100 0.388 0.000 0.907 475 G HN 0.711 nan 8.290 nan 0.000 0.509 476 R N -0.818 119.866 120.500 0.305 0.000 2.428 476 R HA 0.648 4.987 4.340 -0.001 0.000 0.294 476 R C -1.024 175.371 176.300 0.158 0.000 1.000 476 R CA -0.563 55.633 56.100 0.159 0.000 0.960 476 R CB 1.249 31.651 30.300 0.170 0.000 1.076 476 R HN 0.260 nan 8.270 nan 0.000 0.475 477 T N 1.988 116.603 114.554 0.101 0.000 2.786 477 T HA 0.112 4.462 4.350 -0.001 0.000 0.283 477 T C -0.712 174.064 174.700 0.127 0.000 0.992 477 T CA -0.637 61.574 62.100 0.185 0.000 0.954 477 T CB 1.275 70.335 68.868 0.319 0.000 0.934 477 T HN 0.675 nan 8.240 nan 0.000 0.440 478 E N 4.753 125.030 120.200 0.127 0.000 2.465 478 E HA 0.072 4.421 4.350 -0.001 0.000 0.260 478 E C -2.132 174.539 176.600 0.120 0.000 0.980 478 E CA -1.458 55.007 56.400 0.109 0.000 0.927 478 E CB 0.481 30.238 29.700 0.094 0.000 0.934 478 E HN 0.187 nan 8.360 nan 0.000 0.459 479 P HA 0.088 nan 4.420 nan 0.000 0.271 479 P C -1.229 176.217 177.300 0.244 0.000 1.226 479 P CA 0.172 63.404 63.100 0.221 0.000 0.765 479 P CB 0.622 32.472 31.700 0.250 0.000 0.835 480 K N 2.666 123.155 120.400 0.149 0.000 2.378 480 K HA 0.176 4.495 4.320 -0.001 0.000 0.252 480 K C 0.953 177.391 176.600 -0.270 0.000 0.931 480 K CA -0.710 55.585 56.287 0.014 0.000 0.794 480 K CB 2.384 34.849 32.500 -0.058 0.000 1.181 480 K HN 0.430 nan 8.250 nan 0.000 0.425 481 E N 2.117 122.003 120.200 -0.524 0.000 2.118 481 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 481 E C 1.102 177.446 176.600 -0.428 0.000 0.992 481 E CA 1.580 57.420 56.400 -0.933 0.000 0.804 481 E CB 0.458 29.838 29.700 -0.533 0.000 0.741 481 E HN 0.550 nan 8.360 nan 0.000 0.458 482 E N 0.433 120.490 120.200 -0.239 0.000 2.268 482 E HA -0.140 4.209 4.350 -0.001 0.000 0.195 482 E C 0.053 176.590 176.600 -0.104 0.000 0.995 482 E CA 0.435 56.749 56.400 -0.144 0.000 0.836 482 E CB -0.366 29.266 29.700 -0.113 0.000 0.763 482 E HN 0.092 nan 8.360 nan 0.000 0.491 483 N N 2.113 120.739 118.700 -0.124 0.000 2.401 483 N HA 0.152 4.891 4.740 -0.001 0.000 0.255 483 N C -0.681 174.886 175.510 0.096 0.000 1.110 483 N CA 0.227 53.258 53.050 -0.031 0.000 0.949 483 N CB 0.970 39.392 38.487 -0.109 0.000 1.110 483 N HN 0.138 nan 8.380 nan 0.000 0.490 484 K N 1.154 121.665 120.400 0.185 0.000 2.385 484 K HA 0.476 4.796 4.320 -0.001 0.000 0.248 484 K C -1.007 175.760 176.600 0.278 0.000 0.955 484 K CA -0.955 55.463 56.287 0.218 0.000 0.816 484 K CB 2.374 35.006 32.500 0.221 0.000 1.250 484 K HN 0.172 nan 8.250 nan 0.000 0.434 485 L N 3.808 125.146 121.223 0.192 0.000 2.298 485 L HA 0.553 4.892 4.340 -0.001 0.000 0.284 485 L C -1.273 175.558 176.870 -0.065 0.000 1.013 485 L CA -0.080 54.721 54.840 -0.066 0.000 0.824 485 L CB 0.521 42.554 42.059 -0.044 0.000 1.221 485 L HN 0.694 nan 8.230 nan 0.000 0.418 486 W N 3.599 124.624 121.300 -0.458 0.000 3.017 486 W HA 0.647 5.307 4.660 -0.001 0.000 0.341 486 W C -2.152 173.893 176.519 -0.789 0.000 1.180 486 W CA -1.242 55.870 57.345 -0.389 0.000 1.097 486 W CB 0.877 30.263 29.460 -0.123 0.000 1.468 486 W HN 0.325 nan 8.180 nan 0.000 0.584 487 F N 1.446 121.583 119.950 0.312 0.000 2.529 487 F HA 0.342 4.868 4.527 -0.001 0.000 0.320 487 F C 0.782 176.739 175.800 0.261 0.000 1.118 487 F CA -0.940 57.123 58.000 0.106 0.000 0.915 487 F CB 2.079 41.124 39.000 0.075 0.000 1.161 487 F HN 0.258 nan 8.300 nan 0.000 0.445 488 S N 1.097 116.928 115.700 0.219 0.000 2.560 488 S HA 0.035 4.504 4.470 -0.001 0.000 0.284 488 S C 0.759 175.502 174.600 0.238 0.000 1.327 488 S CA -0.444 57.914 58.200 0.263 0.000 1.055 488 S CB 0.337 63.598 63.200 0.101 0.000 0.868 488 S HN 0.694 nan 8.310 nan 0.000 0.506 489 D N 2.950 123.477 120.400 0.213 0.000 2.339 489 D HA 0.155 4.794 4.640 -0.001 0.000 0.217 489 D C 0.948 177.309 176.300 0.102 0.000 1.050 489 D CA 0.404 54.487 54.000 0.139 0.000 0.856 489 D CB 0.233 41.100 40.800 0.111 0.000 0.922 489 D HN 0.343 nan 8.370 nan 0.000 0.518 490 K N -0.424 120.039 120.400 0.106 0.000 2.485 490 K HA 0.175 4.494 4.320 -0.001 0.000 0.200 490 K C 0.292 176.932 176.600 0.067 0.000 1.352 490 K CA -0.126 56.207 56.287 0.077 0.000 0.953 490 K CB 1.163 33.708 32.500 0.075 0.000 1.387 490 K HN 0.061 nan 8.250 nan 0.000 0.512 491 I N 3.410 124.022 120.570 0.069 0.000 2.474 491 I HA 0.080 4.249 4.170 -0.001 0.000 0.287 491 I C 0.736 176.885 176.117 0.054 0.000 1.048 491 I CA 0.240 61.570 61.300 0.050 0.000 1.383 491 I CB 0.784 38.801 38.000 0.029 0.000 1.412 491 I HN 0.151 nan 8.210 nan 0.000 0.531 492 T N 1.444 116.026 114.554 0.047 0.000 2.924 492 T HA 0.610 4.959 4.350 -0.001 0.000 0.291 492 T C -0.390 174.342 174.700 0.053 0.000 1.045 492 T CA -0.916 61.218 62.100 0.057 0.000 1.015 492 T CB 2.477 71.375 68.868 0.050 0.000 1.103 492 T HN 0.550 nan 8.240 nan 0.000 0.496 493 D N 0.737 121.185 120.400 0.080 0.000 2.507 493 D HA 0.486 5.125 4.640 -0.001 0.000 0.280 493 D C 1.631 177.970 176.300 0.065 0.000 1.219 493 D CA -0.458 53.594 54.000 0.088 0.000 1.085 493 D CB 0.036 40.924 40.800 0.148 0.000 1.134 493 D HN 0.653 nan 8.370 nan 0.000 0.583 494 A N -1.434 121.419 122.820 0.056 0.000 2.125 494 A HA -0.112 4.207 4.320 -0.001 0.000 0.219 494 A C 1.052 178.477 177.584 -0.265 0.000 1.156 494 A CA 0.913 52.891 52.037 -0.098 0.000 0.671 494 A CB -0.958 17.970 19.000 -0.121 0.000 0.794 494 A HN 0.538 nan 8.150 nan 0.000 0.459 495 Y N -1.194 119.126 120.300 0.033 0.000 2.658 495 Y HA 0.243 4.792 4.550 -0.001 0.000 0.276 495 Y C 0.616 176.536 175.900 0.033 0.000 1.167 495 Y CA -0.337 57.785 58.100 0.036 0.000 1.230 495 Y CB -0.453 38.018 38.460 0.017 0.000 1.144 495 Y HN 0.438 nan 8.280 nan 0.000 0.529 496 N N -0.177 118.582 118.700 0.099 0.000 2.725 496 N HA -0.178 4.561 4.740 -0.001 0.000 0.249 496 N C -0.620 174.933 175.510 0.072 0.000 1.103 496 N CA 0.574 53.662 53.050 0.062 0.000 0.707 496 N CB -0.485 38.019 38.487 0.028 0.000 1.043 496 N HN 0.171 nan 8.380 nan 0.000 0.553 497 M N -0.336 119.327 119.600 0.105 0.000 2.598 497 M HA 0.429 4.908 4.480 -0.001 0.000 0.317 497 M C -2.137 174.225 176.300 0.104 0.000 1.201 497 M CA -2.034 53.319 55.300 0.088 0.000 0.971 497 M CB 0.663 33.321 32.600 0.095 0.000 1.657 497 M HN -0.286 nan 8.290 nan 0.000 0.470 498 P HA -0.010 nan 4.420 nan 0.000 0.262 498 P C -0.643 176.805 177.300 0.247 0.000 1.182 498 P CA 0.107 63.303 63.100 0.158 0.000 0.761 498 P CB 0.257 32.058 31.700 0.168 0.000 0.795 499 Q N 6.846 126.739 119.800 0.154 0.000 2.286 499 Q HA 0.176 4.516 4.340 -0.001 0.000 0.267 499 Q C -2.265 173.696 176.000 -0.065 0.000 1.028 499 Q CA -2.010 53.827 55.803 0.057 0.000 0.901 499 Q CB -0.184 28.539 28.738 -0.024 0.000 1.183 499 Q HN 0.285 nan 8.270 nan 0.000 0.392 500 P HA 0.123 nan 4.420 nan 0.000 0.271 500 P C -1.040 175.768 177.300 -0.820 0.000 1.218 500 P CA -0.152 62.530 63.100 -0.696 0.000 0.780 500 P CB 1.017 32.392 31.700 -0.542 0.000 0.901 501 T N 2.453 116.286 114.554 -1.202 0.000 2.952 501 T HA 0.502 4.851 4.350 -0.001 0.000 0.305 501 T C -0.659 173.353 174.700 -1.146 0.000 1.064 501 T CA -0.112 61.287 62.100 -1.168 0.000 1.008 501 T CB 0.515 68.392 68.868 -1.652 0.000 1.078 501 T HN 0.056 nan 8.240 nan 0.000 0.459 502 F N 1.873 121.554 119.950 -0.448 0.000 2.425 502 F HA 0.557 5.083 4.527 -0.001 0.000 0.331 502 F C 0.617 176.383 175.800 -0.057 0.000 1.085 502 F CA -0.972 56.898 58.000 -0.217 0.000 1.028 502 F CB 1.134 40.049 39.000 -0.141 0.000 1.177 502 F HN 0.407 nan 8.300 nan 0.000 0.487 503 D N 2.997 123.584 120.400 0.310 0.000 2.375 503 D HA 0.229 4.868 4.640 -0.001 0.000 0.259 503 D C -1.797 174.642 176.300 0.231 0.000 1.235 503 D CA -0.094 54.067 54.000 0.267 0.000 0.924 503 D CB 0.242 41.228 40.800 0.309 0.000 1.143 503 D HN 0.298 nan 8.370 nan 0.000 0.529 504 F N 3.171 123.119 119.950 -0.004 0.000 2.581 504 F HA 0.589 5.115 4.527 -0.001 0.000 0.311 504 F C -1.151 174.549 175.800 -0.166 0.000 1.113 504 F CA -0.608 57.325 58.000 -0.113 0.000 0.935 504 F CB 1.387 40.255 39.000 -0.221 0.000 1.232 504 F HN 0.016 nan 8.300 nan 0.000 0.445 505 R N 4.099 124.137 120.500 -0.771 0.000 2.771 505 R HA 0.369 4.708 4.340 -0.001 0.000 0.274 505 R C -1.652 174.047 176.300 -1.001 0.000 0.987 505 R CA -0.982 54.754 56.100 -0.607 0.000 0.908 505 R CB 1.754 31.893 30.300 -0.268 0.000 1.213 505 R HN 0.575 nan 8.270 nan 0.000 0.468 506 F N 2.675 122.436 119.950 -0.315 0.000 2.543 506 F HA 0.185 4.712 4.527 -0.001 0.000 0.375 506 F C -1.320 174.360 175.800 -0.199 0.000 1.075 506 F CA -1.136 56.745 58.000 -0.197 0.000 1.225 506 F CB -0.109 38.895 39.000 0.005 0.000 1.099 506 F HN 0.132 nan 8.300 nan 0.000 0.561 507 P HA 0.123 nan 4.420 nan 0.000 0.267 507 P C -0.618 176.696 177.300 0.023 0.000 1.200 507 P CA -0.228 62.850 63.100 -0.037 0.000 0.772 507 P CB 0.533 32.222 31.700 -0.018 0.000 0.855 508 A N 2.342 125.163 122.820 0.001 0.000 2.429 508 A HA 0.534 4.853 4.320 -0.001 0.000 0.242 508 A C 1.127 178.727 177.584 0.026 0.000 1.088 508 A CA 0.849 52.892 52.037 0.012 0.000 0.784 508 A CB -1.034 17.965 19.000 -0.001 0.000 1.038 508 A HN 0.836 nan 8.150 nan 0.000 0.501 509 G N 0.110 108.927 108.800 0.029 0.000 2.503 509 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.235 509 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.235 509 G C 1.039 175.970 174.900 0.052 0.000 1.179 509 G CA 0.760 45.882 45.100 0.037 0.000 0.944 509 G HN 1.024 nan 8.290 nan 0.000 0.580 510 R N -0.138 120.399 120.500 0.061 0.000 2.083 510 R HA -0.090 4.250 4.340 -0.001 0.000 0.237 510 R C 2.819 179.177 176.300 0.097 0.000 1.137 510 R CA 2.802 58.949 56.100 0.078 0.000 0.951 510 R CB -0.914 29.434 30.300 0.080 0.000 0.851 510 R HN 0.623 nan 8.270 nan 0.000 0.434 511 T N 0.033 114.647 114.554 0.101 0.000 2.684 511 T HA -0.122 4.227 4.350 -0.001 0.000 0.267 511 T C 1.942 176.699 174.700 0.096 0.000 1.036 511 T CA 1.825 64.001 62.100 0.126 0.000 1.148 511 T CB -0.191 68.771 68.868 0.158 0.000 0.863 511 T HN 0.273 nan 8.240 nan 0.000 0.436 512 S N 0.535 116.276 115.700 0.068 0.000 2.357 512 S HA -0.033 4.436 4.470 -0.001 0.000 0.221 512 S C 2.032 176.649 174.600 0.029 0.000 1.031 512 S CA 1.037 59.250 58.200 0.022 0.000 0.982 512 S CB -0.201 63.007 63.200 0.014 0.000 0.853 512 S HN 0.501 nan 8.310 nan 0.000 0.458 513 K N 1.358 121.790 120.400 0.053 0.000 2.009 513 K HA -0.167 4.152 4.320 -0.001 0.000 0.210 513 K C 1.961 178.622 176.600 0.102 0.000 1.049 513 K CA 1.621 57.947 56.287 0.066 0.000 0.929 513 K CB -0.167 32.375 32.500 0.070 0.000 0.714 513 K HN 0.349 nan 8.250 nan 0.000 0.440 514 E N -0.104 120.182 120.200 0.144 0.000 2.085 514 E HA -0.225 4.124 4.350 -0.001 0.000 0.194 514 E C 1.986 178.690 176.600 0.173 0.000 0.994 514 E CA 1.153 57.699 56.400 0.243 0.000 0.801 514 E CB -0.170 29.701 29.700 0.285 0.000 0.743 514 E HN 0.479 nan 8.360 nan 0.000 0.453 515 A N 1.279 124.165 122.820 0.111 0.000 1.902 515 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 515 A C 2.085 179.746 177.584 0.129 0.000 1.181 515 A CA 1.808 53.906 52.037 0.103 0.000 0.623 515 A CB -0.361 18.653 19.000 0.022 0.000 0.818 515 A HN 0.150 nan 8.150 nan 0.000 0.443 516 E N 0.476 120.734 120.200 0.096 0.000 2.072 516 E HA -0.135 4.215 4.350 -0.001 0.000 0.190 516 E C 1.290 177.879 176.600 -0.019 0.000 0.982 516 E CA 1.433 57.887 56.400 0.090 0.000 0.803 516 E CB -0.298 29.431 29.700 0.048 0.000 0.755 516 E HN 0.502 nan 8.360 nan 0.000 0.453 517 D N -0.039 120.351 120.400 -0.017 0.000 2.182 517 D HA -0.179 4.460 4.640 -0.001 0.000 0.201 517 D C 1.884 177.945 176.300 -0.399 0.000 0.986 517 D CA 1.109 55.083 54.000 -0.042 0.000 0.847 517 D CB -0.288 40.621 40.800 0.183 0.000 0.942 517 D HN 0.328 nan 8.370 nan 0.000 0.467 518 M N -0.331 118.823 119.600 -0.744 0.000 2.132 518 M HA -0.175 4.304 4.480 -0.001 0.000 0.263 518 M C 2.042 177.932 176.300 -0.684 0.000 1.065 518 M CA 1.109 55.634 55.300 -1.291 0.000 1.122 518 M CB 0.020 32.086 32.600 -0.890 0.000 1.365 518 M HN -0.052 nan 8.290 nan 0.000 0.411 519 M N 0.484 119.811 119.600 -0.456 0.000 2.073 519 M HA -0.177 4.303 4.480 -0.001 0.000 0.258 519 M C 1.817 177.917 176.300 -0.334 0.000 1.070 519 M CA 2.501 57.540 55.300 -0.435 0.000 1.103 519 M CB -1.023 31.391 32.600 -0.311 0.000 1.321 519 M HN 0.286 nan 8.290 nan 0.000 0.405 520 T N -0.013 114.411 114.554 -0.217 0.000 2.684 520 T HA -0.194 4.156 4.350 -0.001 0.000 0.267 520 T C 1.518 176.149 174.700 -0.115 0.000 1.036 520 T CA 1.877 63.900 62.100 -0.129 0.000 1.148 520 T CB -0.699 68.135 68.868 -0.057 0.000 0.863 520 T HN 0.548 nan 8.240 nan 0.000 0.436 521 D N 0.442 120.769 120.400 -0.122 0.000 2.123 521 D HA -0.088 4.551 4.640 -0.001 0.000 0.196 521 D C 2.066 178.369 176.300 0.005 0.000 0.992 521 D CA 0.947 54.980 54.000 0.055 0.000 0.833 521 D CB -0.226 40.705 40.800 0.219 0.000 0.954 521 D HN 0.294 nan 8.370 nan 0.000 0.455 522 M N -0.517 118.869 119.600 -0.355 0.000 2.117 522 M HA -0.176 4.304 4.480 -0.001 0.000 0.262 522 M C 1.980 178.004 176.300 -0.460 0.000 1.065 522 M CA 1.317 56.151 55.300 -0.776 0.000 1.114 522 M CB -0.151 31.736 32.600 -1.189 0.000 1.361 522 M HN 0.213 nan 8.290 nan 0.000 0.408 523 C N -0.389 118.736 119.300 -0.292 0.000 2.413 523 C HA -0.118 4.342 4.460 -0.001 0.000 0.276 523 C C 2.662 177.560 174.990 -0.154 0.000 1.248 523 C CA 0.882 59.829 59.018 -0.119 0.000 1.742 523 C CB -1.003 26.719 27.740 -0.030 0.000 2.017 523 C HN 0.494 nan 8.230 nan 0.000 0.481 524 V N 0.369 120.222 119.914 -0.102 0.000 2.323 524 V HA -0.244 3.876 4.120 -0.001 0.000 0.244 524 V C 2.372 178.442 176.094 -0.040 0.000 1.041 524 V CA 2.108 64.378 62.300 -0.050 0.000 1.025 524 V CB -0.638 31.205 31.823 0.034 0.000 0.656 524 V HN 0.579 nan 8.190 nan 0.000 0.451 525 M N 0.781 120.395 119.600 0.023 0.000 2.099 525 M HA -0.155 4.325 4.480 -0.001 0.000 0.262 525 M C 2.468 178.646 176.300 -0.204 0.000 1.067 525 M CA 2.305 57.693 55.300 0.146 0.000 1.124 525 M CB -0.177 32.666 32.600 0.404 0.000 1.353 525 M HN 0.540 nan 8.290 nan 0.000 0.410 526 S N 0.580 115.844 115.700 -0.727 0.000 2.399 526 S HA -0.050 4.420 4.470 -0.001 0.000 0.231 526 S C 2.005 176.205 174.600 -0.668 0.000 1.022 526 S CA 0.948 58.308 58.200 -1.401 0.000 0.983 526 S CB -0.879 61.279 63.200 -1.737 0.000 0.803 526 S HN 0.575 nan 8.310 nan 0.000 0.480 527 A N 2.276 124.809 122.820 -0.478 0.000 2.024 527 A HA -0.093 4.226 4.320 -0.001 0.000 0.220 527 A C 2.178 179.633 177.584 -0.215 0.000 1.164 527 A CA 1.577 53.395 52.037 -0.366 0.000 0.643 527 A CB -0.635 18.177 19.000 -0.314 0.000 0.806 527 A HN 0.650 nan 8.150 nan 0.000 0.451 528 K N -0.758 119.559 120.400 -0.138 0.000 2.280 528 K HA -0.049 4.270 4.320 -0.001 0.000 0.202 528 K C 1.279 177.869 176.600 -0.015 0.000 1.047 528 K CA 1.035 57.290 56.287 -0.053 0.000 0.942 528 K CB -0.083 32.426 32.500 0.014 0.000 0.739 528 K HN 0.421 nan 8.250 nan 0.000 0.457 529 I N -0.831 119.742 120.570 0.005 0.000 3.039 529 I HA 0.143 4.313 4.170 -0.001 0.000 0.270 529 I C 1.135 177.266 176.117 0.022 0.000 1.150 529 I CA 0.627 61.980 61.300 0.089 0.000 1.448 529 I CB -0.042 38.151 38.000 0.323 0.000 1.197 529 I HN 0.121 nan 8.210 nan 0.000 0.450 530 G N -0.720 108.038 108.800 -0.071 0.000 2.356 530 G HA2 0.463 4.422 3.960 -0.001 0.000 0.294 530 G HA3 0.463 4.422 3.960 -0.001 0.000 0.294 530 G C -0.643 174.110 174.900 -0.244 0.000 1.423 530 G CA -0.165 44.870 45.100 -0.109 0.000 0.806 530 G HN 0.289 nan 8.290 nan 0.000 0.527 531 G N -1.147 107.508 108.800 -0.242 0.000 2.562 531 G HA2 0.553 4.512 3.960 -0.001 0.000 0.275 531 G HA3 0.553 4.512 3.960 -0.001 0.000 0.275 531 G C -0.320 174.397 174.900 -0.305 0.000 1.196 531 G CA -0.541 44.324 45.100 -0.391 0.000 0.908 531 G HN 0.441 nan 8.290 nan 0.000 0.524 532 F N -0.701 119.157 119.950 -0.154 0.000 2.518 532 F HA 0.211 4.738 4.527 -0.001 0.000 0.359 532 F C 0.690 176.429 175.800 -0.101 0.000 1.118 532 F CA -0.790 57.113 58.000 -0.162 0.000 1.287 532 F CB 0.721 39.617 39.000 -0.173 0.000 1.132 532 F HN 0.144 nan 8.300 nan 0.000 0.587 533 L N 6.139 127.434 121.223 0.120 0.000 2.361 533 L HA 0.397 4.736 4.340 -0.001 0.000 0.278 533 L C -2.383 174.530 176.870 0.073 0.000 1.113 533 L CA -2.102 52.779 54.840 0.068 0.000 0.849 533 L CB 0.013 42.103 42.059 0.051 0.000 1.155 533 L HN 0.286 nan 8.230 nan 0.000 0.452 534 P HA 0.188 nan 4.420 nan 0.000 0.264 534 P C 0.639 177.986 177.300 0.079 0.000 1.183 534 P CA 1.010 64.147 63.100 0.062 0.000 0.763 534 P CB 0.594 32.325 31.700 0.052 0.000 0.807 535 G N 1.986 110.827 108.800 0.070 0.000 2.199 535 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.254 535 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.254 535 G C 0.521 175.504 174.900 0.139 0.000 0.982 535 G CA 0.262 45.425 45.100 0.104 0.000 0.632 535 G HN 0.528 nan 8.290 nan 0.000 0.529 536 S N 0.598 116.348 115.700 0.084 0.000 2.617 536 S HA 0.500 4.969 4.470 -0.001 0.000 0.237 536 S C 0.502 175.008 174.600 -0.156 0.000 1.142 536 S CA -0.535 57.696 58.200 0.051 0.000 1.167 536 S CB 0.278 63.478 63.200 -0.001 0.000 1.068 536 S HN 0.457 nan 8.310 nan 0.000 0.470 537 L N 2.656 123.781 121.223 -0.163 0.000 2.453 537 L HA 0.347 4.687 4.340 -0.001 0.000 0.261 537 L C -2.045 174.530 176.870 -0.492 0.000 1.179 537 L CA -2.183 52.421 54.840 -0.395 0.000 0.813 537 L CB 0.009 41.906 42.059 -0.270 0.000 1.110 537 L HN 0.054 nan 8.230 nan 0.000 0.466 538 P HA 0.017 nan 4.420 nan 0.000 0.267 538 P C -1.469 175.604 177.300 -0.377 0.000 1.209 538 P CA 0.066 62.781 63.100 -0.643 0.000 0.763 538 P CB 0.508 31.748 31.700 -0.767 0.000 0.816 539 Q N 1.945 121.569 119.800 -0.293 0.000 2.435 539 Q HA 0.479 4.818 4.340 -0.001 0.000 0.282 539 Q C -1.415 174.460 176.000 -0.209 0.000 1.020 539 Q CA -0.891 54.821 55.803 -0.153 0.000 0.820 539 Q CB 0.756 29.479 28.738 -0.025 0.000 1.436 539 Q HN 0.093 nan 8.270 nan 0.000 0.395 540 F N 1.521 121.422 119.950 -0.081 0.000 2.429 540 F HA 0.278 4.805 4.527 -0.001 0.000 0.348 540 F C 0.645 176.419 175.800 -0.043 0.000 1.109 540 F CA -0.262 57.693 58.000 -0.076 0.000 1.232 540 F CB 0.881 39.826 39.000 -0.091 0.000 1.157 540 F HN 0.409 nan 8.300 nan 0.000 0.564 541 M N 2.392 122.055 119.600 0.105 0.000 2.255 541 M HA 0.191 4.671 4.480 -0.001 0.000 0.336 541 M C 0.070 176.418 176.300 0.079 0.000 1.135 541 M CA -0.666 54.662 55.300 0.047 0.000 1.145 541 M CB 0.840 33.424 32.600 -0.027 0.000 1.473 541 M HN 0.465 nan 8.290 nan 0.000 0.462 542 K N 1.966 122.386 120.400 0.033 0.000 2.524 542 K HA 0.038 4.358 4.320 -0.001 0.000 0.279 542 K C -2.250 174.372 176.600 0.038 0.000 0.993 542 K CA -0.917 55.388 56.287 0.030 0.000 1.030 542 K CB -0.357 32.136 32.500 -0.012 0.000 0.891 542 K HN 0.297 nan 8.250 nan 0.000 0.488 543 P HA -0.058 nan 4.420 nan 0.000 0.262 543 P C 0.487 177.716 177.300 -0.117 0.000 1.199 543 P CA 0.873 64.003 63.100 0.050 0.000 0.763 543 P CB 0.641 32.344 31.700 0.006 0.000 0.790 544 G N 2.673 111.411 108.800 -0.104 0.000 2.195 544 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.246 544 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.246 544 G C 0.771 175.622 174.900 -0.082 0.000 0.984 544 G CA 0.164 45.164 45.100 -0.168 0.000 0.633 544 G HN 0.520 nan 8.290 nan 0.000 0.525 545 L N 1.034 122.226 121.223 -0.051 0.000 2.127 545 L HA 0.090 4.429 4.340 -0.001 0.000 0.211 545 L C 2.880 179.734 176.870 -0.027 0.000 1.089 545 L CA 2.533 57.348 54.840 -0.042 0.000 0.757 545 L CB -0.418 41.610 42.059 -0.052 0.000 0.899 545 L HN 0.587 nan 8.230 nan 0.000 0.434 546 V N 0.016 119.918 119.914 -0.020 0.000 2.453 546 V HA -0.229 3.890 4.120 -0.001 0.000 0.252 546 V C 1.588 177.604 176.094 -0.129 0.000 1.068 546 V CA 1.514 63.785 62.300 -0.047 0.000 1.070 546 V CB -0.340 31.493 31.823 0.017 0.000 0.664 546 V HN 0.503 nan 8.190 nan 0.000 0.461 547 L N -0.004 121.212 121.223 -0.012 0.000 3.597 547 L HA -0.245 4.094 4.340 -0.001 0.000 0.440 547 L C 0.301 177.329 176.870 0.262 0.000 1.277 547 L CA 0.962 55.859 54.840 0.095 0.000 0.852 547 L CB -2.563 39.579 42.059 0.138 0.000 1.708 547 L HN 0.598 nan 8.230 nan 0.000 0.885 548 H N -0.606 118.567 119.070 0.172 0.000 2.505 548 H HA 0.300 4.855 4.556 -0.001 0.000 0.260 548 H C 0.425 175.887 175.328 0.224 0.000 1.168 548 H CA -1.036 55.153 56.048 0.234 0.000 0.945 548 H CB 0.731 30.672 29.762 0.298 0.000 1.800 548 H HN 0.212 nan 8.280 nan 0.000 0.586 549 L N 1.903 123.271 121.223 0.242 0.000 2.513 549 L HA 0.257 4.596 4.340 -0.001 0.000 0.272 549 L C 0.566 177.563 176.870 0.212 0.000 1.187 549 L CA 0.611 55.542 54.840 0.151 0.000 0.895 549 L CB 0.352 42.460 42.059 0.082 0.000 1.147 549 L HN 0.279 nan 8.230 nan 0.000 0.483 550 G N 1.970 110.910 108.800 0.233 0.000 2.730 550 G HA2 0.537 4.496 3.960 -0.001 0.000 0.289 550 G HA3 0.537 4.496 3.960 -0.001 0.000 0.289 550 G C 0.317 175.320 174.900 0.172 0.000 1.341 550 G CA -0.335 44.919 45.100 0.256 0.000 0.932 550 G HN 1.293 nan 8.290 nan 0.000 0.481 551 G N -1.207 107.660 108.800 0.113 0.000 2.159 551 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.256 551 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.256 551 G C 1.339 176.301 174.900 0.104 0.000 0.977 551 G CA 1.544 46.716 45.100 0.121 0.000 0.652 551 G HN 1.856 nan 8.290 nan 0.000 0.531 552 T N -1.964 112.606 114.554 0.025 0.000 2.995 552 T HA 0.139 4.489 4.350 -0.001 0.000 0.269 552 T C 1.080 175.861 174.700 0.134 0.000 1.091 552 T CA 1.873 64.030 62.100 0.096 0.000 1.128 552 T CB -0.276 68.658 68.868 0.110 0.000 0.891 552 T HN 1.536 nan 8.240 nan 0.000 0.492 553 H N -0.235 118.907 119.070 0.121 0.000 2.823 553 H HA 0.447 5.002 4.556 -0.001 0.000 0.222 553 H C -0.127 175.241 175.328 0.067 0.000 1.414 553 H CA -1.352 54.742 56.048 0.076 0.000 1.289 553 H CB -0.401 29.372 29.762 0.018 0.000 1.970 553 H HN 0.355 nan 8.280 nan 0.000 0.517 554 R N 0.762 121.342 120.500 0.134 0.000 2.641 554 R HA 0.293 4.633 4.340 -0.001 0.000 0.269 554 R C -0.332 176.023 176.300 0.092 0.000 1.074 554 R CA -0.664 55.487 56.100 0.085 0.000 1.133 554 R CB 0.987 31.331 30.300 0.073 0.000 1.029 554 R HN 0.489 nan 8.270 nan 0.000 0.488 555 M N 1.446 121.076 119.600 0.050 0.000 2.342 555 M HA 0.478 4.957 4.480 -0.001 0.000 0.332 555 M C -0.455 175.834 176.300 -0.019 0.000 1.166 555 M CA 0.239 55.545 55.300 0.010 0.000 1.086 555 M CB 1.665 34.246 32.600 -0.033 0.000 1.541 555 M HN 0.955 nan 8.290 nan 0.000 0.462 556 G N 1.771 110.558 108.800 -0.022 0.000 2.488 556 G HA2 0.366 4.325 3.960 -0.001 0.000 0.301 556 G HA3 0.366 4.325 3.960 -0.001 0.000 0.301 556 G C -0.937 173.931 174.900 -0.053 0.000 1.339 556 G CA -0.706 44.322 45.100 -0.120 0.000 0.803 556 G HN 0.664 nan 8.290 nan 0.000 0.482 557 F N 0.067 120.113 119.950 0.160 0.000 2.187 557 F HA 0.271 4.797 4.527 -0.001 0.000 0.295 557 F C 1.126 177.049 175.800 0.205 0.000 1.091 557 F CA 1.151 59.247 58.000 0.161 0.000 1.308 557 F CB 0.343 39.398 39.000 0.092 0.000 1.030 557 F HN 0.394 nan 8.300 nan 0.000 0.487 558 D N -1.040 119.518 120.400 0.264 0.000 2.757 558 D HA 0.140 4.779 4.640 -0.001 0.000 0.249 558 D C 0.698 176.847 176.300 -0.252 0.000 1.168 558 D CA -0.270 53.736 54.000 0.010 0.000 0.870 558 D CB 1.368 42.188 40.800 0.034 0.000 1.411 558 D HN 0.073 nan 8.370 nan 0.000 0.525 559 E N 2.981 122.688 120.200 -0.820 0.000 2.065 559 E HA -0.303 4.047 4.350 -0.001 0.000 0.201 559 E C 1.314 177.733 176.600 -0.302 0.000 1.016 559 E CA 1.447 57.339 56.400 -0.846 0.000 0.818 559 E CB 0.262 29.355 29.700 -1.011 0.000 0.749 559 E HN 0.446 nan 8.360 nan 0.000 0.453 560 K N -0.034 120.237 120.400 -0.215 0.000 2.067 560 K HA -0.100 4.220 4.320 -0.001 0.000 0.203 560 K C 2.037 178.604 176.600 -0.055 0.000 1.048 560 K CA 1.241 57.470 56.287 -0.096 0.000 0.954 560 K CB 0.079 32.538 32.500 -0.069 0.000 0.737 560 K HN 0.092 nan 8.250 nan 0.000 0.444 561 E N 0.365 120.537 120.200 -0.046 0.000 2.150 561 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 561 E C 0.720 177.318 176.600 -0.002 0.000 0.985 561 E CA 0.992 57.388 56.400 -0.007 0.000 0.814 561 E CB 0.137 29.847 29.700 0.016 0.000 0.752 561 E HN 0.368 nan 8.360 nan 0.000 0.466 562 D N 0.150 120.543 120.400 -0.012 0.000 2.363 562 D HA 0.052 4.691 4.640 -0.001 0.000 0.214 562 D C -0.601 175.637 176.300 -0.104 0.000 1.093 562 D CA -0.019 53.969 54.000 -0.020 0.000 0.837 562 D CB 0.095 40.919 40.800 0.039 0.000 0.948 562 D HN 0.075 nan 8.370 nan 0.000 0.507 563 N N 0.583 119.220 118.700 -0.104 0.000 2.671 563 N HA -0.184 4.555 4.740 -0.001 0.000 0.261 563 N C -0.295 175.137 175.510 -0.130 0.000 1.053 563 N CA 0.574 53.539 53.050 -0.142 0.000 0.732 563 N CB -1.501 36.770 38.487 -0.360 0.000 0.887 563 N HN 0.410 nan 8.380 nan 0.000 0.546 564 C N -3.477 115.823 119.300 0.000 0.000 3.213 564 C HA 0.791 5.250 4.460 -0.001 0.000 0.319 564 C C 1.344 176.502 174.990 0.280 0.000 1.386 564 C CA -0.654 58.436 59.018 0.119 0.000 1.494 564 C CB 1.609 29.438 27.740 0.147 0.000 1.905 564 C HN 0.485 nan 8.230 nan 0.000 0.456 565 C N 0.247 119.745 119.300 0.331 0.000 3.123 565 C HA 0.485 4.944 4.460 -0.001 0.000 0.399 565 C C 0.647 175.745 174.990 0.181 0.000 1.320 565 C CA 0.600 59.813 59.018 0.324 0.000 1.949 565 C CB -0.307 27.544 27.740 0.185 0.000 2.692 565 C HN 0.957 nan 8.230 nan 0.000 0.623 566 V N 1.350 121.259 119.914 -0.008 0.000 2.914 566 V HA 0.699 4.818 4.120 -0.001 0.000 0.314 566 V C -0.692 175.073 176.094 -0.549 0.000 1.084 566 V CA -0.657 61.403 62.300 -0.400 0.000 0.963 566 V CB 1.477 33.183 31.823 -0.194 0.000 1.025 566 V HN 0.408 nan 8.190 nan 0.000 0.432 567 N N 1.099 119.296 118.700 -0.838 0.000 2.366 567 N HA 0.224 4.963 4.740 -0.001 0.000 0.277 567 N C 1.049 176.422 175.510 -0.228 0.000 1.275 567 N CA 0.268 53.051 53.050 -0.445 0.000 0.964 567 N CB -0.079 38.168 38.487 -0.400 0.000 1.167 567 N HN 0.940 nan 8.380 nan 0.000 0.568 568 T N -4.764 109.704 114.554 -0.143 0.000 3.163 568 T HA 0.011 4.361 4.350 -0.001 0.000 0.260 568 T C 0.077 174.703 174.700 -0.122 0.000 1.156 568 T CA 0.577 62.594 62.100 -0.138 0.000 1.072 568 T CB -0.394 68.415 68.868 -0.098 0.000 0.937 568 T HN 0.449 nan 8.240 nan 0.000 0.528 569 D N 1.045 121.363 120.400 -0.136 0.000 2.340 569 D HA 0.185 4.824 4.640 -0.001 0.000 0.217 569 D C 0.564 176.861 176.300 -0.004 0.000 1.081 569 D CA 0.096 54.032 54.000 -0.108 0.000 0.842 569 D CB 0.140 40.768 40.800 -0.287 0.000 0.934 569 D HN 0.339 nan 8.370 nan 0.000 0.511 570 S N 0.238 115.908 115.700 -0.051 0.000 3.476 570 S HA -0.257 4.212 4.470 -0.001 0.000 0.309 570 S C 0.560 175.152 174.600 -0.013 0.000 1.222 570 S CA 0.467 58.675 58.200 0.013 0.000 0.922 570 S CB -1.363 61.918 63.200 0.135 0.000 1.023 570 S HN 0.465 nan 8.310 nan 0.000 0.591 571 R N 1.104 121.479 120.500 -0.210 0.000 2.357 571 R HA 0.472 4.811 4.340 -0.001 0.000 0.296 571 R C -0.104 175.891 176.300 -0.508 0.000 1.052 571 R CA -0.415 55.370 56.100 -0.525 0.000 0.988 571 R CB 0.696 30.648 30.300 -0.580 0.000 1.025 571 R HN 0.130 nan 8.270 nan 0.000 0.469 572 V N 6.335 125.982 119.914 -0.445 0.000 2.479 572 V HA 0.024 4.143 4.120 -0.001 0.000 0.281 572 V C 0.099 176.134 176.094 -0.098 0.000 1.031 572 V CA 0.113 62.244 62.300 -0.281 0.000 1.038 572 V CB -0.126 31.521 31.823 -0.293 0.000 0.981 572 V HN 0.580 nan 8.190 nan 0.000 0.478 573 F N 4.178 124.165 119.950 0.060 0.000 2.604 573 F HA 0.327 4.854 4.527 -0.001 0.000 0.393 573 F C 1.604 177.528 175.800 0.206 0.000 1.043 573 F CA 1.654 59.714 58.000 0.100 0.000 1.227 573 F CB -0.253 38.800 39.000 0.090 0.000 1.016 573 F HN 0.799 nan 8.300 nan 0.000 0.556 574 G N 2.218 111.192 108.800 0.291 0.000 2.241 574 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.244 574 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.244 574 G C -0.094 174.740 174.900 -0.110 0.000 0.998 574 G CA -0.425 44.733 45.100 0.098 0.000 0.621 574 G HN 0.451 nan 8.290 nan 0.000 0.519 575 F N 1.234 121.205 119.950 0.034 0.000 2.427 575 F HA 0.597 5.123 4.527 -0.001 0.000 0.346 575 F C 1.417 177.204 175.800 -0.022 0.000 1.120 575 F CA -0.969 57.038 58.000 0.013 0.000 1.033 575 F CB 1.670 40.675 39.000 0.008 0.000 1.126 575 F HN -0.238 nan 8.300 nan 0.000 0.462 576 K N 1.690 122.186 120.400 0.161 0.000 2.148 576 K HA -0.087 4.233 4.320 -0.001 0.000 0.204 576 K C 0.726 177.530 176.600 0.341 0.000 1.050 576 K CA 1.077 57.494 56.287 0.216 0.000 0.942 576 K CB -0.046 32.587 32.500 0.223 0.000 0.724 576 K HN 0.654 nan 8.250 nan 0.000 0.446 577 N N -0.046 118.827 118.700 0.288 0.000 2.387 577 N HA 0.046 4.785 4.740 -0.001 0.000 0.259 577 N C -0.739 174.874 175.510 0.172 0.000 1.369 577 N CA -0.345 52.924 53.050 0.366 0.000 0.867 577 N CB -0.095 38.658 38.487 0.443 0.000 1.341 577 N HN -0.059 nan 8.380 nan 0.000 0.495 578 L N 0.543 121.645 121.223 -0.202 0.000 2.381 578 L HA 0.714 5.054 4.340 -0.001 0.000 0.274 578 L C -1.857 174.619 176.870 -0.657 0.000 0.988 578 L CA -0.611 54.082 54.840 -0.245 0.000 0.824 578 L CB 1.003 42.914 42.059 -0.247 0.000 1.263 578 L HN -0.026 nan 8.230 nan 0.000 0.410 579 F N 4.985 124.859 119.950 -0.126 0.000 2.551 579 F HA 0.672 5.198 4.527 -0.001 0.000 0.316 579 F C -0.580 175.076 175.800 -0.241 0.000 1.089 579 F CA -0.678 57.229 58.000 -0.156 0.000 0.915 579 F CB 1.831 40.776 39.000 -0.091 0.000 1.186 579 F HN 0.202 nan 8.300 nan 0.000 0.456 580 L N 1.966 123.147 121.223 -0.070 0.000 2.346 580 L HA 0.897 5.236 4.340 -0.001 0.000 0.274 580 L C 0.093 176.967 176.870 0.007 0.000 1.007 580 L CA -0.832 53.899 54.840 -0.182 0.000 0.818 580 L CB 1.941 43.738 42.059 -0.436 0.000 1.284 580 L HN 0.785 nan 8.230 nan 0.000 0.424 581 G N 0.217 109.031 108.800 0.022 0.000 2.524 581 G HA2 0.793 4.752 3.960 -0.001 0.000 0.310 581 G HA3 0.793 4.752 3.960 -0.001 0.000 0.310 581 G C -0.481 174.538 174.900 0.199 0.000 1.279 581 G CA -0.234 44.981 45.100 0.191 0.000 0.974 581 G HN 0.974 nan 8.290 nan 0.000 0.484 582 G N -1.170 107.742 108.800 0.187 0.000 2.331 582 G HA2 0.042 4.001 3.960 -0.001 0.000 0.402 582 G HA3 0.042 4.001 3.960 -0.001 0.000 0.402 582 G C 0.755 175.705 174.900 0.083 0.000 1.275 582 G CA 0.115 45.297 45.100 0.137 0.000 1.003 582 G HN 1.135 nan 8.290 nan 0.000 0.500 583 C N 0.832 120.159 119.300 0.045 0.000 2.432 583 C HA 0.243 4.703 4.460 -0.001 0.000 0.282 583 C C 3.019 177.984 174.990 -0.042 0.000 1.388 583 C CA 1.722 60.745 59.018 0.008 0.000 1.777 583 C CB -1.306 26.471 27.740 0.062 0.000 1.882 583 C HN 1.245 nan 8.230 nan 0.000 0.520 584 G N 1.240 109.921 108.800 -0.198 0.000 2.479 584 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.220 584 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.220 584 G C 1.436 175.958 174.900 -0.630 0.000 1.115 584 G CA 0.779 45.471 45.100 -0.680 0.000 0.757 584 G HN 0.546 nan 8.290 nan 0.000 0.560 585 N N 0.279 118.831 118.700 -0.247 0.000 2.331 585 N HA 0.032 4.771 4.740 -0.001 0.000 0.180 585 N C 0.895 176.413 175.510 0.014 0.000 1.019 585 N CA 0.146 53.199 53.050 0.005 0.000 0.881 585 N CB 0.060 38.604 38.487 0.095 0.000 0.972 585 N HN 0.298 nan 8.380 nan 0.000 0.435 586 I N 3.014 123.594 120.570 0.017 0.000 2.517 586 I HA 0.036 4.205 4.170 -0.001 0.000 0.285 586 I C -1.324 174.880 176.117 0.146 0.000 1.106 586 I CA -1.020 60.320 61.300 0.068 0.000 1.402 586 I CB 1.311 39.305 38.000 -0.010 0.000 1.399 586 I HN -0.054 nan 8.210 nan 0.000 0.535 587 P HA 0.057 nan 4.420 nan 0.000 0.264 587 P C 0.284 177.671 177.300 0.145 0.000 1.259 587 P CA 0.232 63.400 63.100 0.113 0.000 0.841 587 P CB 0.196 31.922 31.700 0.043 0.000 1.232 588 T N -2.128 112.548 114.554 0.203 0.000 2.897 588 T HA 0.675 5.025 4.350 -0.001 0.000 0.278 588 T C 0.185 175.014 174.700 0.215 0.000 0.981 588 T CA -0.860 61.348 62.100 0.180 0.000 0.973 588 T CB 1.141 70.095 68.868 0.143 0.000 1.092 588 T HN 0.050 nan 8.240 nan 0.000 0.543 589 A N 1.788 124.665 122.820 0.096 0.000 2.310 589 A HA 0.612 4.931 4.320 -0.001 0.000 0.300 589 A C -0.650 176.883 177.584 -0.086 0.000 1.269 589 A CA -0.876 51.159 52.037 -0.002 0.000 0.909 589 A CB -0.853 18.172 19.000 0.042 0.000 1.144 589 A HN 0.872 nan 8.150 nan 0.000 0.540 590 Y N -0.357 119.841 120.300 -0.171 0.000 2.499 590 Y HA 0.728 5.277 4.550 -0.001 0.000 0.347 590 Y C 0.705 176.461 175.900 -0.239 0.000 0.987 590 Y CA -0.698 57.107 58.100 -0.491 0.000 1.044 590 Y CB 1.500 39.440 38.460 -0.866 0.000 1.245 590 Y HN 0.382 nan 8.280 nan 0.000 0.461 591 G N 0.475 109.161 108.800 -0.190 0.000 2.743 591 G HA2 0.415 4.375 3.960 -0.001 0.000 0.206 591 G HA3 0.415 4.375 3.960 -0.001 0.000 0.206 591 G C 0.358 175.347 174.900 0.149 0.000 1.115 591 G CA 0.174 45.375 45.100 0.167 0.000 0.782 591 G HN 0.946 nan 8.290 nan 0.000 0.524 592 A N 0.704 123.437 122.820 -0.144 0.000 2.313 592 A HA 0.511 4.830 4.320 -0.001 0.000 0.261 592 A C -0.083 177.424 177.584 -0.129 0.000 1.090 592 A CA -0.520 51.329 52.037 -0.313 0.000 0.807 592 A CB 0.100 18.922 19.000 -0.298 0.000 1.055 592 A HN 0.347 nan 8.150 nan 0.000 0.492 593 N N 1.788 120.279 118.700 -0.349 0.000 2.483 593 N HA 0.242 4.982 4.740 -0.001 0.000 0.264 593 N C -1.990 173.420 175.510 -0.166 0.000 1.197 593 N CA -0.818 51.999 53.050 -0.388 0.000 0.927 593 N CB 0.556 38.890 38.487 -0.254 0.000 1.065 593 N HN 0.421 nan 8.380 nan 0.000 0.461 594 P HA -0.004 nan 4.420 nan 0.000 0.240 594 P C 0.482 177.670 177.300 -0.187 0.000 1.190 594 P CA 0.676 63.654 63.100 -0.205 0.000 0.781 594 P CB 0.323 31.876 31.700 -0.245 0.000 0.931 595 T N 0.932 115.453 114.554 -0.055 0.000 2.788 595 T HA -0.125 4.224 4.350 -0.001 0.000 0.268 595 T C 1.758 176.537 174.700 0.131 0.000 1.044 595 T CA 0.929 63.059 62.100 0.050 0.000 1.139 595 T CB -0.777 68.146 68.868 0.091 0.000 0.867 595 T HN 0.012 nan 8.240 nan 0.000 0.454 596 L N 1.078 122.393 121.223 0.154 0.000 2.083 596 L HA -0.070 4.269 4.340 -0.001 0.000 0.209 596 L C 2.505 179.452 176.870 0.129 0.000 1.083 596 L CA 1.695 56.678 54.840 0.238 0.000 0.752 596 L CB -1.010 41.167 42.059 0.198 0.000 0.899 596 L HN 0.181 nan 8.230 nan 0.000 0.433 597 T N -0.488 114.013 114.554 -0.088 0.000 2.777 597 T HA -0.121 4.228 4.350 -0.001 0.000 0.266 597 T C 1.902 176.522 174.700 -0.133 0.000 1.040 597 T CA 1.194 63.156 62.100 -0.231 0.000 1.141 597 T CB -0.433 67.883 68.868 -0.921 0.000 0.868 597 T HN 0.505 nan 8.240 nan 0.000 0.444 598 A N 1.443 124.190 122.820 -0.123 0.000 1.933 598 A HA -0.041 4.278 4.320 -0.001 0.000 0.218 598 A C 2.300 179.853 177.584 -0.051 0.000 1.175 598 A CA 1.710 53.711 52.037 -0.060 0.000 0.628 598 A CB -0.705 18.278 19.000 -0.029 0.000 0.814 598 A HN 0.519 nan 8.150 nan 0.000 0.444 599 M N -0.344 119.233 119.600 -0.038 0.000 2.159 599 M HA -0.136 4.343 4.480 -0.001 0.000 0.263 599 M C 2.127 178.337 176.300 -0.150 0.000 1.063 599 M CA 2.001 57.250 55.300 -0.085 0.000 1.110 599 M CB -0.141 32.413 32.600 -0.077 0.000 1.374 599 M HN 0.381 nan 8.290 nan 0.000 0.411 600 S N 1.157 116.768 115.700 -0.147 0.000 2.359 600 S HA -0.137 4.333 4.470 -0.001 0.000 0.224 600 S C 1.750 176.160 174.600 -0.317 0.000 1.035 600 S CA 1.458 59.505 58.200 -0.255 0.000 1.018 600 S CB -0.554 62.451 63.200 -0.326 0.000 0.876 600 S HN 0.517 nan 8.310 nan 0.000 0.448 601 L N 1.095 122.170 121.223 -0.248 0.000 2.079 601 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 601 L C 2.779 179.517 176.870 -0.220 0.000 1.081 601 L CA 1.236 55.934 54.840 -0.236 0.000 0.752 601 L CB -0.721 41.269 42.059 -0.116 0.000 0.896 601 L HN 0.336 nan 8.230 nan 0.000 0.433 602 A N 0.243 122.932 122.820 -0.219 0.000 1.933 602 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 602 A C 2.206 179.482 177.584 -0.514 0.000 1.175 602 A CA 1.375 53.178 52.037 -0.390 0.000 0.628 602 A CB -0.594 18.190 19.000 -0.360 0.000 0.814 602 A HN 0.350 nan 8.150 nan 0.000 0.444 603 I N -0.451 119.905 120.570 -0.357 0.000 2.163 603 I HA -0.299 3.871 4.170 -0.001 0.000 0.243 603 I C 2.540 178.493 176.117 -0.273 0.000 1.085 603 I CA 1.985 63.106 61.300 -0.298 0.000 1.347 603 I CB -0.265 37.578 38.000 -0.262 0.000 1.044 603 I HN 0.389 nan 8.210 nan 0.000 0.408 604 K N 0.568 120.804 120.400 -0.273 0.000 2.063 604 K HA -0.235 4.084 4.320 -0.001 0.000 0.208 604 K C 2.347 178.856 176.600 -0.153 0.000 1.048 604 K CA 1.903 58.058 56.287 -0.220 0.000 0.928 604 K CB -0.156 32.180 32.500 -0.274 0.000 0.713 604 K HN 0.135 nan 8.250 nan 0.000 0.442 605 S N -0.166 115.424 115.700 -0.184 0.000 2.368 605 S HA -0.166 4.303 4.470 -0.001 0.000 0.225 605 S C 2.046 176.546 174.600 -0.167 0.000 1.030 605 S CA 1.452 59.584 58.200 -0.114 0.000 0.999 605 S CB -0.493 62.664 63.200 -0.072 0.000 0.844 605 S HN 0.581 nan 8.310 nan 0.000 0.459 606 C N 1.386 120.502 119.300 -0.306 0.000 2.425 606 C HA 0.016 4.475 4.460 -0.001 0.000 0.277 606 C C 2.514 177.421 174.990 -0.139 0.000 1.280 606 C CA 0.711 59.563 59.018 -0.277 0.000 1.744 606 C CB -1.466 26.071 27.740 -0.338 0.000 1.989 606 C HN 0.681 nan 8.230 nan 0.000 0.491 607 E N -0.575 119.565 120.200 -0.100 0.000 2.085 607 E HA -0.268 4.081 4.350 -0.001 0.000 0.194 607 E C 1.827 178.432 176.600 0.010 0.000 0.994 607 E CA 1.647 58.021 56.400 -0.044 0.000 0.801 607 E CB -0.299 29.371 29.700 -0.050 0.000 0.743 607 E HN 0.841 nan 8.360 nan 0.000 0.453 608 Y N 1.029 121.292 120.300 -0.062 0.000 2.163 608 Y HA -0.186 4.363 4.550 -0.001 0.000 0.288 608 Y C 1.944 177.868 175.900 0.040 0.000 1.136 608 Y CA 1.422 59.527 58.100 0.008 0.000 1.147 608 Y CB -0.082 38.414 38.460 0.062 0.000 0.987 608 Y HN -0.056 nan 8.280 nan 0.000 0.509 609 I N 0.475 121.096 120.570 0.086 0.000 2.163 609 I HA -0.350 3.819 4.170 -0.001 0.000 0.243 609 I C 2.278 178.430 176.117 0.058 0.000 1.085 609 I CA 1.755 63.084 61.300 0.049 0.000 1.347 609 I CB -0.426 37.395 38.000 -0.298 0.000 1.044 609 I HN 0.172 nan 8.210 nan 0.000 0.408 610 K N 0.369 120.765 120.400 -0.006 0.000 2.209 610 K HA -0.198 4.121 4.320 -0.001 0.000 0.204 610 K C 1.923 178.567 176.600 0.073 0.000 1.048 610 K CA 1.172 57.527 56.287 0.113 0.000 0.940 610 K CB -0.129 32.421 32.500 0.084 0.000 0.729 610 K HN 0.485 nan 8.250 nan 0.000 0.451 611 Q N -0.289 119.478 119.800 -0.055 0.000 2.425 611 Q HA 0.062 4.401 4.340 -0.001 0.000 0.204 611 Q C 0.891 176.771 176.000 -0.201 0.000 0.933 611 Q CA 0.407 56.139 55.803 -0.119 0.000 0.939 611 Q CB 0.428 29.071 28.738 -0.159 0.000 1.044 611 Q HN 0.283 nan 8.270 nan 0.000 0.513 612 N N -0.929 117.624 118.700 -0.245 0.000 2.145 612 N HA 0.160 4.899 4.740 -0.001 0.000 0.219 612 N C -0.908 174.219 175.510 -0.639 0.000 1.266 612 N CA 0.269 53.032 53.050 -0.479 0.000 0.902 612 N CB 1.040 39.066 38.487 -0.767 0.000 1.078 612 N HN -0.007 nan 8.380 nan 0.000 0.513 613 F N 0.256 120.232 119.950 0.042 0.000 2.588 613 F HA 0.359 4.885 4.527 -0.001 0.000 0.310 613 F C 0.015 175.950 175.800 0.224 0.000 1.082 613 F CA -0.660 57.423 58.000 0.138 0.000 0.929 613 F CB 1.911 41.005 39.000 0.157 0.000 1.254 613 F HN -0.391 nan 8.300 nan 0.000 0.455 614 T N 3.378 118.133 114.554 0.334 0.000 2.794 614 T HA 0.463 4.812 4.350 -0.001 0.000 0.280 614 T C -2.622 172.116 174.700 0.062 0.000 0.987 614 T CA -1.458 60.724 62.100 0.136 0.000 0.993 614 T CB 1.391 70.298 68.868 0.065 0.000 0.939 614 T HN 0.115 nan 8.240 nan 0.000 0.449 615 P HA 0.176 nan 4.420 nan 0.000 0.269 615 P C -0.109 177.134 177.300 -0.095 0.000 1.209 615 P CA -0.514 62.367 63.100 -0.365 0.000 0.776 615 P CB 0.316 31.613 31.700 -0.671 0.000 0.876 616 S N 2.178 117.868 115.700 -0.017 0.000 2.576 616 S HA 0.343 4.813 4.470 -0.001 0.000 0.276 616 S C -2.263 172.343 174.600 0.010 0.000 1.339 616 S CA -1.031 57.175 58.200 0.009 0.000 1.039 616 S CB -0.768 62.443 63.200 0.018 0.000 0.902 616 S HN 0.247 nan 8.310 nan 0.000 0.516 617 P HA 0.184 nan 4.420 nan 0.000 0.266 617 P C -0.748 176.610 177.300 0.096 0.000 1.195 617 P CA -0.286 62.847 63.100 0.054 0.000 0.768 617 P CB 0.108 31.830 31.700 0.036 0.000 0.838 618 F N 3.577 123.513 119.950 -0.024 0.000 2.410 618 F HA 0.470 4.996 4.527 -0.001 0.000 0.348 618 F C -0.012 175.781 175.800 -0.011 0.000 1.106 618 F CA 0.682 58.673 58.000 -0.015 0.000 1.163 618 F CB 0.507 39.498 39.000 -0.014 0.000 1.129 618 F HN 0.296 nan 8.300 nan 0.000 0.516 619 T N 0.000 114.366 114.554 -0.313 0.000 3.816 619 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 619 T CA 0.000 62.011 62.100 -0.149 0.000 1.349 619 T CB 0.000 68.826 68.868 -0.070 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658