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 2vrt_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKRMLINATQ QEELRVALVD GQRLYDLDIE SPXXEQKKAN IYKGKITRIE DATA SEQUENCE PSLEAAFVDY GAERHGFLPL KEIAREYFPX XXXXXXRPNI KDVLREGQEV DATA SEQUENCE IVQIDKEERG NKGAALTTFI SLAGSYLVLM PNNPRAGGIS RRIEXDDRTE DATA SEQUENCE LKEALASLEL PEGMGLIVRT AGVGKSAEAL QWDLSFRLKH WEAIKKAAES DATA SEQUENCE RPAPFLIHQE SNVIVRAFRD YLRQDIGEIL IDNPKVLELA RQHIAALGRP DATA SEQUENCE DFSSKIKLYT GEIPLFSHYQ IESQIESAFQ REVRLPSGGS IVIDSTEALT DATA SEQUENCE AIDINSARXX XXXDIEETAF NTNLEAADEI ARQLRLRDLG GLIVIDFIDM DATA SEQUENCE TPVRHQRAVE NRLREAVRQD RARIQISHIS RFGLLEMSRQ RLXXXXXXSS DATA SEQUENCE HHVCPRCSGT GTVRDNESLS LSILRLIEEE ALKENTQEVH AIVPVPIASY DATA SEQUENCE LLNEKRSAVN AIETRQDGVR CVIVPNDQME TPHYHVLRVR KGEETPTLSY DATA SEQUENCE MLPKLHEE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.340 176.300 0.067 0.000 1.140 1 M CA 0.000 55.330 55.300 0.049 0.000 0.988 1 M CB 0.000 32.638 32.600 0.064 0.000 1.302 2 K N 4.532 124.969 120.400 0.062 0.000 2.297 2 K HA 0.491 4.811 4.320 -0.001 0.000 0.286 2 K C -0.817 175.843 176.600 0.100 0.000 1.053 2 K CA -0.221 56.126 56.287 0.101 0.000 0.940 2 K CB 0.946 33.508 32.500 0.103 0.000 1.019 2 K HN 0.563 nan 8.250 nan 0.000 0.475 3 R N 2.419 122.970 120.500 0.085 0.000 2.621 3 R HA 0.314 4.653 4.340 -0.001 0.000 0.292 3 R C -0.543 175.739 176.300 -0.030 0.000 0.969 3 R CA -0.815 55.301 56.100 0.026 0.000 0.887 3 R CB 1.969 32.255 30.300 -0.022 0.000 1.180 3 R HN 0.498 nan 8.270 nan 0.000 0.450 4 M N 4.509 124.101 119.600 -0.013 0.000 2.146 4 M HA 0.313 4.792 4.480 -0.001 0.000 0.357 4 M C -1.412 174.831 176.300 -0.095 0.000 1.261 4 M CA -0.193 55.070 55.300 -0.061 0.000 1.106 4 M CB 0.508 33.117 32.600 0.014 0.000 1.612 4 M HN 0.512 nan 8.290 nan 0.000 0.470 5 L N 7.034 128.161 121.223 -0.160 0.000 2.313 5 L HA 0.536 4.876 4.340 -0.001 0.000 0.283 5 L C -0.903 176.010 176.870 0.073 0.000 1.013 5 L CA -0.558 54.218 54.840 -0.107 0.000 0.816 5 L CB 1.680 43.574 42.059 -0.275 0.000 1.236 5 L HN 0.716 nan 8.230 nan 0.000 0.419 6 I N 3.474 124.086 120.570 0.071 0.000 2.359 6 I HA 0.202 4.372 4.170 -0.001 0.000 0.284 6 I C -0.060 176.042 176.117 -0.026 0.000 1.018 6 I CA -0.161 61.158 61.300 0.032 0.000 1.173 6 I CB 1.235 39.219 38.000 -0.027 0.000 1.326 6 I HN 0.644 nan 8.210 nan 0.000 0.462 7 N N 6.074 124.657 118.700 -0.196 0.000 2.437 7 N HA 0.407 5.147 4.740 -0.001 0.000 0.243 7 N C -0.096 175.236 175.510 -0.296 0.000 1.041 7 N CA -0.039 52.747 53.050 -0.441 0.000 0.940 7 N CB 1.303 39.018 38.487 -1.286 0.000 1.133 7 N HN 0.740 nan 8.380 nan 0.000 0.506 8 A N 2.801 125.523 122.820 -0.163 0.000 2.616 8 A HA 0.115 4.434 4.320 -0.001 0.000 0.294 8 A C 1.223 178.762 177.584 -0.074 0.000 1.091 8 A CA -0.350 51.622 52.037 -0.108 0.000 0.971 8 A CB -0.324 18.638 19.000 -0.063 0.000 1.222 8 A HN 0.721 nan 8.150 nan 0.000 0.521 9 T N -3.010 111.492 114.554 -0.086 0.000 3.055 9 T HA 0.085 4.435 4.350 -0.001 0.000 0.265 9 T C 0.640 175.309 174.700 -0.052 0.000 1.111 9 T CA 0.687 62.757 62.100 -0.050 0.000 1.118 9 T CB -0.044 68.802 68.868 -0.036 0.000 0.909 9 T HN 0.229 nan 8.240 nan 0.000 0.501 10 Q N 1.196 120.951 119.800 -0.075 0.000 2.290 10 Q HA 0.485 4.825 4.340 -0.001 0.000 0.259 10 Q C 0.685 176.653 176.000 -0.054 0.000 0.941 10 Q CA -0.303 55.463 55.803 -0.062 0.000 0.912 10 Q CB 1.820 30.513 28.738 -0.074 0.000 1.244 10 Q HN 0.277 nan 8.270 nan 0.000 0.441 11 Q N 1.144 120.921 119.800 -0.037 0.000 2.170 11 Q HA -0.168 4.171 4.340 -0.001 0.000 0.203 11 Q C 0.846 176.827 176.000 -0.032 0.000 0.976 11 Q CA 1.470 57.255 55.803 -0.030 0.000 0.858 11 Q CB 0.284 29.010 28.738 -0.020 0.000 0.907 11 Q HN 0.639 nan 8.270 nan 0.000 0.433 12 E N 0.034 120.213 120.200 -0.034 0.000 2.476 12 E HA 0.119 4.468 4.350 -0.001 0.000 0.196 12 E C -0.401 176.178 176.600 -0.035 0.000 1.029 12 E CA 0.635 57.018 56.400 -0.029 0.000 0.896 12 E CB 0.288 29.975 29.700 -0.022 0.000 1.012 12 E HN 0.223 nan 8.360 nan 0.000 0.475 13 E N 1.136 121.306 120.200 -0.049 0.000 2.551 13 E HA 0.360 4.710 4.350 -0.001 0.000 0.321 13 E C -1.712 174.836 176.600 -0.086 0.000 0.975 13 E CA -0.669 55.696 56.400 -0.058 0.000 0.784 13 E CB 0.160 29.827 29.700 -0.054 0.000 1.493 13 E HN 0.121 nan 8.360 nan 0.000 0.385 14 L N 2.847 124.022 121.223 -0.081 0.000 2.261 14 L HA 0.602 4.942 4.340 -0.001 0.000 0.289 14 L C -0.007 176.800 176.870 -0.105 0.000 1.059 14 L CA -0.454 54.324 54.840 -0.102 0.000 0.816 14 L CB 0.509 42.514 42.059 -0.089 0.000 1.191 14 L HN 0.571 nan 8.230 nan 0.000 0.431 15 R N 4.136 124.553 120.500 -0.138 0.000 2.589 15 R HA 0.769 5.109 4.340 -0.001 0.000 0.293 15 R C -1.354 174.958 176.300 0.020 0.000 0.963 15 R CA -0.968 55.094 56.100 -0.064 0.000 0.905 15 R CB 2.229 32.474 30.300 -0.092 0.000 1.144 15 R HN 0.424 nan 8.270 nan 0.000 0.459 16 V N 1.651 121.580 119.914 0.025 0.000 2.525 16 V HA 0.592 4.712 4.120 -0.001 0.000 0.299 16 V C -0.610 175.405 176.094 -0.131 0.000 1.034 16 V CA -0.816 61.438 62.300 -0.076 0.000 0.863 16 V CB 1.710 33.347 31.823 -0.310 0.000 0.999 16 V HN 0.934 nan 8.190 nan 0.000 0.423 17 A N 5.753 128.470 122.820 -0.170 0.000 2.343 17 A HA 0.862 5.181 4.320 -0.001 0.000 0.316 17 A C -0.866 176.504 177.584 -0.357 0.000 1.104 17 A CA -0.564 51.266 52.037 -0.345 0.000 0.768 17 A CB 1.031 19.656 19.000 -0.625 0.000 1.213 17 A HN 0.800 nan 8.150 nan 0.000 0.456 18 L N 2.896 123.871 121.223 -0.414 0.000 2.276 18 L HA 0.514 4.854 4.340 -0.001 0.000 0.286 18 L C -0.819 175.809 176.870 -0.403 0.000 1.061 18 L CA -0.571 53.986 54.840 -0.472 0.000 0.807 18 L CB 1.295 42.862 42.059 -0.819 0.000 1.177 18 L HN 0.442 nan 8.230 nan 0.000 0.429 19 V N 2.370 122.242 119.914 -0.071 0.000 2.577 19 V HA 0.249 4.369 4.120 -0.001 0.000 0.303 19 V C -0.435 175.808 176.094 0.248 0.000 1.042 19 V CA -0.728 61.623 62.300 0.085 0.000 0.872 19 V CB 2.284 34.060 31.823 -0.077 0.000 0.998 19 V HN 0.668 nan 8.190 nan 0.000 0.423 20 D N 3.556 124.115 120.400 0.264 0.000 2.443 20 D HA 0.480 5.120 4.640 -0.001 0.000 0.221 20 D C 0.943 177.286 176.300 0.071 0.000 1.097 20 D CA 1.054 55.113 54.000 0.099 0.000 0.865 20 D CB 1.414 42.166 40.800 -0.080 0.000 1.034 20 D HN 0.832 nan 8.370 nan 0.000 0.511 21 G N 4.894 113.744 108.800 0.084 0.000 2.889 21 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.308 21 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.308 21 G C 0.734 175.701 174.900 0.111 0.000 1.248 21 G CA 0.500 45.646 45.100 0.078 0.000 0.982 21 G HN 0.566 nan 8.290 nan 0.000 0.571 22 Q N 0.012 119.851 119.800 0.065 0.000 2.164 22 Q HA 0.236 4.575 4.340 -0.001 0.000 0.226 22 Q C 1.091 177.120 176.000 0.049 0.000 0.813 22 Q CA -0.239 55.602 55.803 0.064 0.000 0.978 22 Q CB 1.259 29.995 28.738 -0.002 0.000 1.149 22 Q HN 0.495 nan 8.270 nan 0.000 0.489 23 R N 1.918 122.451 120.500 0.056 0.000 2.210 23 R HA 0.202 4.541 4.340 -0.001 0.000 0.338 23 R C -0.703 175.660 176.300 0.106 0.000 1.062 23 R CA -0.360 55.775 56.100 0.058 0.000 0.902 23 R CB 0.320 30.645 30.300 0.043 0.000 1.050 23 R HN 0.009 nan 8.270 nan 0.000 0.461 24 L N 6.198 127.453 121.223 0.052 0.000 2.455 24 L HA 0.032 4.372 4.340 -0.001 0.000 0.272 24 L C -0.263 176.675 176.870 0.114 0.000 1.174 24 L CA 0.644 55.494 54.840 0.017 0.000 0.869 24 L CB 0.477 42.500 42.059 -0.061 0.000 1.130 24 L HN 0.795 nan 8.230 nan 0.000 0.474 25 Y N 0.851 121.127 120.300 -0.039 0.000 2.666 25 Y HA 0.558 5.107 4.550 -0.001 0.000 0.260 25 Y C -0.338 175.565 175.900 0.006 0.000 1.089 25 Y CA -0.795 57.296 58.100 -0.015 0.000 1.246 25 Y CB 0.344 38.797 38.460 -0.011 0.000 1.353 25 Y HN 0.532 nan 8.280 nan 0.000 0.558 26 D N 0.866 121.048 120.400 -0.363 0.000 2.623 26 D HA 0.464 5.104 4.640 -0.001 0.000 0.241 26 D C -2.263 173.923 176.300 -0.190 0.000 1.241 26 D CA -0.289 53.583 54.000 -0.213 0.000 0.788 26 D CB 2.855 43.548 40.800 -0.180 0.000 1.413 26 D HN 0.161 nan 8.370 nan 0.000 0.429 27 L N 2.052 123.220 121.223 -0.093 0.000 2.526 27 L HA 0.495 4.834 4.340 -0.001 0.000 0.263 27 L C -1.960 174.875 176.870 -0.059 0.000 0.943 27 L CA -0.328 54.452 54.840 -0.100 0.000 0.859 27 L CB 1.968 43.991 42.059 -0.061 0.000 1.313 27 L HN 0.234 nan 8.230 nan 0.000 0.406 28 D N 4.662 124.998 120.400 -0.107 0.000 2.787 28 D HA 0.582 5.221 4.640 -0.001 0.000 0.246 28 D C -1.246 175.017 176.300 -0.062 0.000 1.150 28 D CA -0.069 53.883 54.000 -0.079 0.000 0.864 28 D CB 2.167 42.882 40.800 -0.141 0.000 1.481 28 D HN 0.524 nan 8.370 nan 0.000 0.509 29 I N 1.992 122.542 120.570 -0.033 0.000 2.498 29 I HA 0.319 4.489 4.170 -0.001 0.000 0.290 29 I C -0.105 175.991 176.117 -0.034 0.000 1.032 29 I CA -0.619 60.666 61.300 -0.025 0.000 1.073 29 I CB 2.353 40.354 38.000 0.001 0.000 1.251 29 I HN 0.112 nan 8.210 nan 0.000 0.426 30 E N 3.904 124.076 120.200 -0.046 0.000 2.246 30 E HA 0.455 4.804 4.350 -0.001 0.000 0.266 30 E C -1.550 175.026 176.600 -0.039 0.000 0.880 30 E CA -0.347 56.028 56.400 -0.043 0.000 0.762 30 E CB 2.328 31.994 29.700 -0.056 0.000 1.180 30 E HN 0.530 nan 8.360 nan 0.000 0.416 31 S N 3.845 119.528 115.700 -0.028 0.000 2.501 31 S HA 0.602 5.071 4.470 -0.001 0.000 0.301 31 S C -2.001 172.587 174.600 -0.020 0.000 1.096 31 S CA -1.274 56.912 58.200 -0.024 0.000 1.063 31 S CB 0.926 64.117 63.200 -0.016 0.000 1.042 31 S HN 0.445 nan 8.310 nan 0.000 0.494 36 Q N 0.476 120.301 119.800 0.041 0.000 2.400 36 Q HA 0.576 4.915 4.340 -0.001 0.000 0.255 36 Q C -0.768 175.268 176.000 0.061 0.000 1.008 36 Q CA 0.041 55.870 55.803 0.045 0.000 0.841 36 Q CB 0.510 29.266 28.738 0.031 0.000 1.220 36 Q HN 0.855 nan 8.270 nan 0.000 0.474 37 K N 4.018 124.468 120.400 0.084 0.000 2.579 37 K HA 0.400 4.719 4.320 -0.001 0.000 0.225 37 K C -1.343 175.332 176.600 0.126 0.000 0.992 37 K CA -0.612 55.749 56.287 0.124 0.000 1.018 37 K CB 1.235 33.845 32.500 0.183 0.000 1.249 37 K HN 0.715 nan 8.250 nan 0.000 0.489 38 K N -0.592 119.868 120.400 0.100 0.000 2.542 38 K HA 0.638 4.958 4.320 -0.001 0.000 0.259 38 K C 0.056 176.710 176.600 0.090 0.000 0.932 38 K CA 0.228 56.568 56.287 0.090 0.000 0.820 38 K CB 1.788 34.327 32.500 0.064 0.000 1.345 38 K HN 1.412 nan 8.250 nan 0.000 0.432 39 A N 1.104 123.986 122.820 0.102 0.000 3.201 39 A HA -0.168 4.152 4.320 -0.001 0.000 0.260 39 A C -0.802 176.898 177.584 0.194 0.000 1.222 39 A CA 0.967 53.084 52.037 0.132 0.000 1.124 39 A CB -2.354 16.726 19.000 0.133 0.000 1.155 39 A HN 0.767 nan 8.150 nan 0.000 0.924 40 N N -0.121 118.658 118.700 0.132 0.000 2.529 40 N HA 0.631 5.370 4.740 -0.001 0.000 0.278 40 N C -0.184 175.324 175.510 -0.004 0.000 1.146 40 N CA 0.228 53.291 53.050 0.022 0.000 0.980 40 N CB 0.673 39.138 38.487 -0.036 0.000 1.124 40 N HN 0.549 nan 8.380 nan 0.000 0.458 41 I N 2.193 122.708 120.570 -0.091 0.000 2.441 41 I HA 0.370 4.540 4.170 -0.001 0.000 0.295 41 I C -0.781 175.175 176.117 -0.270 0.000 0.994 41 I CA -0.711 60.574 61.300 -0.025 0.000 1.144 41 I CB 0.841 38.915 38.000 0.123 0.000 1.314 41 I HN 0.321 nan 8.210 nan 0.000 0.445 42 Y N 2.988 123.302 120.300 0.024 0.000 2.576 42 Y HA 0.632 5.181 4.550 -0.001 0.000 0.346 42 Y C 0.324 176.135 175.900 -0.147 0.000 1.018 42 Y CA -1.128 56.947 58.100 -0.042 0.000 1.050 42 Y CB 1.125 39.637 38.460 0.086 0.000 1.280 42 Y HN 0.469 nan 8.280 nan 0.000 0.474 43 K N 0.719 120.991 120.400 -0.212 0.000 2.258 43 K HA 0.751 5.071 4.320 -0.001 0.000 0.284 43 K C -0.032 176.519 176.600 -0.081 0.000 1.051 43 K CA -0.147 55.989 56.287 -0.252 0.000 0.923 43 K CB 0.420 32.566 32.500 -0.590 0.000 1.046 43 K HN 1.048 nan 8.250 nan 0.000 0.474 44 G N -0.071 108.723 108.800 -0.011 0.000 2.571 44 G HA2 0.639 4.598 3.960 -0.001 0.000 0.304 44 G HA3 0.639 4.598 3.960 -0.001 0.000 0.304 44 G C -0.668 174.234 174.900 0.005 0.000 1.314 44 G CA -0.227 44.896 45.100 0.038 0.000 0.975 44 G HN 0.903 nan 8.290 nan 0.000 0.485 45 K N 1.482 121.895 120.400 0.022 0.000 2.213 45 K HA 0.644 4.964 4.320 -0.001 0.000 0.270 45 K C 0.199 176.780 176.600 -0.032 0.000 1.002 45 K CA -0.794 55.490 56.287 -0.004 0.000 0.868 45 K CB 0.949 33.458 32.500 0.014 0.000 1.093 45 K HN 0.583 nan 8.250 nan 0.000 0.454 46 I N 4.052 124.586 120.570 -0.060 0.000 2.691 46 I HA -0.099 4.070 4.170 -0.001 0.000 0.288 46 I C 1.544 177.617 176.117 -0.073 0.000 1.143 46 I CA -0.026 61.230 61.300 -0.073 0.000 1.364 46 I CB 0.048 37.987 38.000 -0.101 0.000 1.435 46 I HN 0.883 nan 8.210 nan 0.000 0.551 47 T N 5.472 119.965 114.554 -0.101 0.000 2.569 47 T HA -0.123 4.227 4.350 -0.001 0.000 0.263 47 T C 1.031 175.662 174.700 -0.115 0.000 1.074 47 T CA 1.834 63.817 62.100 -0.195 0.000 1.176 47 T CB -0.020 68.548 68.868 -0.499 0.000 0.863 47 T HN 0.744 nan 8.240 nan 0.000 0.410 48 R N -0.330 120.146 120.500 -0.040 0.000 2.774 48 R HA 0.771 5.111 4.340 -0.001 0.000 0.272 48 R C -1.534 174.818 176.300 0.087 0.000 1.000 48 R CA -0.733 55.364 56.100 -0.006 0.000 0.906 48 R CB 0.617 30.875 30.300 -0.070 0.000 1.227 48 R HN 0.360 nan 8.270 nan 0.000 0.468 49 I N 1.417 122.016 120.570 0.048 0.000 2.530 49 I HA 0.491 4.661 4.170 -0.001 0.000 0.297 49 I C -0.403 175.756 176.117 0.070 0.000 1.011 49 I CA -0.975 60.352 61.300 0.046 0.000 1.107 49 I CB 2.388 40.382 38.000 -0.010 0.000 1.285 49 I HN 0.578 nan 8.210 nan 0.000 0.436 50 E N 6.563 126.813 120.200 0.083 0.000 2.244 50 E HA 0.248 4.598 4.350 -0.001 0.000 0.260 50 E C -2.184 174.447 176.600 0.051 0.000 0.884 50 E CA -1.572 54.882 56.400 0.090 0.000 0.777 50 E CB 2.319 32.123 29.700 0.173 0.000 1.197 50 E HN 0.318 nan 8.360 nan 0.000 0.416 51 P HA -0.061 nan 4.420 nan 0.000 0.229 51 P C 1.305 178.631 177.300 0.042 0.000 1.160 51 P CA 0.604 63.722 63.100 0.030 0.000 0.777 51 P CB 0.539 32.254 31.700 0.025 0.000 0.814 52 S N -0.523 115.211 115.700 0.056 0.000 2.447 52 S HA 0.013 4.482 4.470 -0.001 0.000 0.233 52 S C 1.508 176.156 174.600 0.079 0.000 1.006 52 S CA 0.643 58.881 58.200 0.063 0.000 0.957 52 S CB -0.641 62.599 63.200 0.067 0.000 0.773 52 S HN 0.084 nan 8.310 nan 0.000 0.507 53 L N 0.538 121.820 121.223 0.098 0.000 2.906 53 L HA 0.403 4.743 4.340 -0.001 0.000 0.255 53 L C 0.068 176.988 176.870 0.083 0.000 1.166 53 L CA -0.034 54.882 54.840 0.127 0.000 0.977 53 L CB -0.115 42.078 42.059 0.225 0.000 1.313 53 L HN 0.166 nan 8.230 nan 0.000 0.549 54 E N 0.572 120.797 120.200 0.042 0.000 2.269 54 E HA -0.208 4.142 4.350 -0.001 0.000 0.223 54 E C 0.044 176.607 176.600 -0.062 0.000 1.244 54 E CA 0.371 56.776 56.400 0.008 0.000 0.713 54 E CB -0.925 28.791 29.700 0.028 0.000 1.178 54 E HN 0.552 nan 8.360 nan 0.000 0.370 55 A N -0.507 122.245 122.820 -0.114 0.000 2.601 55 A HA 0.890 5.209 4.320 -0.001 0.000 0.291 55 A C -1.414 175.996 177.584 -0.290 0.000 1.075 55 A CA -0.084 51.760 52.037 -0.321 0.000 0.671 55 A CB 1.720 20.356 19.000 -0.607 0.000 1.277 55 A HN 0.534 nan 8.150 nan 0.000 0.417 56 A N -0.154 122.404 122.820 -0.438 0.000 2.527 56 A HA 0.896 5.215 4.320 -0.001 0.000 0.293 56 A C -1.410 175.944 177.584 -0.385 0.000 1.117 56 A CA -0.472 51.414 52.037 -0.251 0.000 0.723 56 A CB 0.804 19.696 19.000 -0.180 0.000 1.313 56 A HN 0.960 nan 8.150 nan 0.000 0.411 57 F N 0.099 119.968 119.950 -0.135 0.000 2.425 57 F HA 0.611 5.138 4.527 0.001 0.000 0.331 57 F C 0.074 175.824 175.800 -0.083 0.000 1.085 57 F CA -0.412 57.554 58.000 -0.057 0.000 1.028 57 F CB 2.293 41.295 39.000 0.003 0.000 1.177 57 F HN 0.260 nan 8.300 nan 0.000 0.487 58 V N 1.431 121.443 119.914 0.164 0.000 2.525 58 V HA 0.210 4.330 4.120 -0.001 0.000 0.299 58 V C -0.918 175.322 176.094 0.243 0.000 1.034 58 V CA -0.935 61.429 62.300 0.106 0.000 0.863 58 V CB 1.666 33.510 31.823 0.034 0.000 0.999 58 V HN 0.595 nan 8.190 nan 0.000 0.423 59 D N 3.627 124.118 120.400 0.152 0.000 2.435 59 D HA 0.103 4.743 4.640 -0.001 0.000 0.230 59 D C 0.619 177.004 176.300 0.140 0.000 1.215 59 D CA -0.251 53.895 54.000 0.243 0.000 0.947 59 D CB 0.398 41.304 40.800 0.178 0.000 1.048 59 D HN 0.691 nan 8.370 nan 0.000 0.512 60 Y N 1.576 121.857 120.300 -0.031 0.000 2.461 60 Y HA 0.412 4.962 4.550 0.000 0.000 0.277 60 Y C 1.443 177.253 175.900 -0.151 0.000 1.182 60 Y CA -0.114 57.887 58.100 -0.164 0.000 1.276 60 Y CB 0.345 38.545 38.460 -0.434 0.000 1.087 60 Y HN 0.311 nan 8.280 nan 0.000 0.519 61 G N -0.127 108.468 108.800 -0.342 0.000 2.211 61 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.201 61 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.201 61 G C 0.384 175.077 174.900 -0.345 0.000 0.997 61 G CA -0.349 44.621 45.100 -0.217 0.000 0.652 61 G HN 0.855 nan 8.290 nan 0.000 0.500 62 A N 0.020 122.416 122.820 -0.706 0.000 2.287 62 A HA 0.779 5.099 4.320 -0.001 0.000 0.273 62 A C 1.405 178.781 177.584 -0.345 0.000 1.091 62 A CA 1.477 53.202 52.037 -0.520 0.000 0.817 62 A CB 0.253 18.839 19.000 -0.691 0.000 1.069 62 A HN 1.492 nan 8.150 nan 0.000 0.492 63 E N 0.034 120.096 120.200 -0.230 0.000 2.204 63 E HA -0.102 4.248 4.350 -0.001 0.000 0.195 63 E C 1.146 177.584 176.600 -0.269 0.000 0.990 63 E CA 1.669 57.951 56.400 -0.197 0.000 0.821 63 E CB -0.152 29.475 29.700 -0.121 0.000 0.750 63 E HN 0.656 nan 8.360 nan 0.000 0.477 64 R N -0.559 119.784 120.500 -0.261 0.000 2.637 64 R HA 0.456 4.795 4.340 -0.001 0.000 0.291 64 R C -1.075 175.098 176.300 -0.210 0.000 0.963 64 R CA -0.637 55.318 56.100 -0.242 0.000 0.901 64 R CB 0.954 31.211 30.300 -0.071 0.000 1.160 64 R HN 0.501 nan 8.270 nan 0.000 0.457 65 H N 0.446 119.570 119.070 0.091 0.000 2.629 65 H HA 0.253 4.808 4.556 -0.001 0.000 0.357 65 H C 0.870 176.419 175.328 0.369 0.000 1.121 65 H CA 0.308 56.478 56.048 0.203 0.000 1.406 65 H CB 1.253 31.154 29.762 0.231 0.000 1.456 65 H HN 0.808 nan 8.280 nan 0.000 0.579 66 G N 0.621 109.755 108.800 0.557 0.000 2.535 66 G HA2 0.290 4.250 3.960 -0.001 0.000 0.282 66 G HA3 0.290 4.250 3.960 -0.001 0.000 0.282 66 G C -1.299 173.740 174.900 0.231 0.000 1.350 66 G CA -0.327 44.989 45.100 0.360 0.000 1.039 66 G HN 0.492 nan 8.290 nan 0.000 0.509 67 F N -0.423 119.446 119.950 -0.135 0.000 2.562 67 F HA 0.575 5.100 4.527 -0.003 0.000 0.319 67 F C -0.987 174.656 175.800 -0.261 0.000 1.154 67 F CA -0.941 56.849 58.000 -0.349 0.000 0.931 67 F CB 1.817 40.624 39.000 -0.321 0.000 1.198 67 F HN 0.285 nan 8.300 nan 0.000 0.444 68 L N 9.369 130.090 121.223 -0.837 0.000 2.401 68 L HA 0.538 4.878 4.340 -0.001 0.000 0.263 68 L C -2.453 174.000 176.870 -0.695 0.000 1.004 68 L CA -2.018 52.478 54.840 -0.572 0.000 0.881 68 L CB 1.478 43.306 42.059 -0.384 0.000 1.219 68 L HN 0.372 nan 8.230 nan 0.000 0.441 69 P HA 0.059 nan 4.420 nan 0.000 0.272 69 P C 1.062 178.253 177.300 -0.182 0.000 1.230 69 P CA -0.221 62.663 63.100 -0.360 0.000 0.788 69 P CB 1.044 32.678 31.700 -0.111 0.000 0.949 70 L N 1.639 122.799 121.223 -0.104 0.000 2.131 70 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 70 L C 2.731 179.649 176.870 0.080 0.000 1.092 70 L CA 3.028 57.858 54.840 -0.018 0.000 0.759 70 L CB -2.685 39.387 42.059 0.021 0.000 0.903 70 L HN 0.557 nan 8.230 nan 0.000 0.435 71 K N -0.405 120.043 120.400 0.080 0.000 2.442 71 K HA -0.100 4.219 4.320 -0.001 0.000 0.198 71 K C 1.748 178.495 176.600 0.246 0.000 1.044 71 K CA 1.399 57.771 56.287 0.141 0.000 0.948 71 K CB -0.392 32.167 32.500 0.099 0.000 0.762 71 K HN 0.813 nan 8.250 nan 0.000 0.472 72 E N -1.349 118.953 120.200 0.170 0.000 2.526 72 E HA 0.198 4.548 4.350 -0.001 0.000 0.208 72 E C 0.509 177.051 176.600 -0.096 0.000 0.997 72 E CA 0.436 56.956 56.400 0.199 0.000 0.961 72 E CB -0.074 29.678 29.700 0.087 0.000 1.030 72 E HN 0.620 nan 8.360 nan 0.000 0.483 73 I N 1.561 122.098 120.570 -0.055 0.000 2.496 73 I HA 0.542 4.712 4.170 -0.001 0.000 0.285 73 I C 0.709 176.847 176.117 0.035 0.000 1.080 73 I CA -0.595 60.618 61.300 -0.146 0.000 1.404 73 I CB 0.158 37.996 38.000 -0.270 0.000 1.403 73 I HN 0.043 nan 8.210 nan 0.000 0.539 74 A N 4.750 127.519 122.820 -0.085 0.000 2.363 74 A HA 0.662 4.981 4.320 -0.001 0.000 0.270 74 A C 1.798 179.653 177.584 0.451 0.000 1.121 74 A CA 0.273 52.292 52.037 -0.031 0.000 0.800 74 A CB 0.066 18.956 19.000 -0.183 0.000 1.052 74 A HN 2.166 nan 8.150 nan 0.000 0.493 75 R N 1.780 122.469 120.500 0.315 0.000 2.174 75 R HA -0.257 4.082 4.340 -0.001 0.000 0.253 75 R C 1.538 177.997 176.300 0.266 0.000 1.165 75 R CA 2.634 58.828 56.100 0.158 0.000 0.984 75 R CB -1.664 28.627 30.300 -0.014 0.000 0.873 75 R HN 1.010 nan 8.270 nan 0.000 0.456 76 E N -1.295 118.972 120.200 0.112 0.000 2.153 76 E HA -0.213 4.137 4.350 -0.001 0.000 0.194 76 E C 1.743 178.299 176.600 -0.074 0.000 0.988 76 E CA 1.377 57.742 56.400 -0.058 0.000 0.811 76 E CB -0.354 29.202 29.700 -0.239 0.000 0.746 76 E HN 0.761 nan 8.360 nan 0.000 0.466 77 Y N 0.496 120.871 120.300 0.124 0.000 2.365 77 Y HA 0.123 4.672 4.550 -0.001 0.000 0.293 77 Y C 0.627 176.523 175.900 -0.006 0.000 1.119 77 Y CA -0.113 57.986 58.100 -0.002 0.000 1.203 77 Y CB -0.202 38.175 38.460 -0.139 0.000 1.026 77 Y HN -0.116 nan 8.280 nan 0.000 0.549 78 F N 2.773 122.788 119.950 0.108 0.000 2.571 78 F HA 0.078 4.604 4.527 -0.001 0.000 0.390 78 F C -1.315 174.508 175.800 0.037 0.000 1.043 78 F CA -2.137 55.898 58.000 0.059 0.000 1.164 78 F CB -0.666 38.359 39.000 0.041 0.000 1.049 78 F HN -0.029 nan 8.300 nan 0.000 0.552 88 P HA 0.772 nan 4.420 nan 0.000 0.285 88 P C -0.179 177.167 177.300 0.077 0.000 1.285 88 P CA -0.218 62.934 63.100 0.087 0.000 0.854 88 P CB 1.056 32.850 31.700 0.157 0.000 1.180 89 N N -1.161 117.578 118.700 0.064 0.000 2.508 89 N HA 0.484 5.223 4.740 -0.001 0.000 0.285 89 N C 1.323 176.855 175.510 0.037 0.000 1.144 89 N CA -0.142 52.935 53.050 0.045 0.000 0.978 89 N CB 0.196 38.702 38.487 0.032 0.000 1.180 89 N HN 0.559 nan 8.380 nan 0.000 0.484 90 I N -0.094 120.481 120.570 0.008 0.000 2.567 90 I HA 0.072 4.242 4.170 -0.001 0.000 0.257 90 I C 2.685 178.778 176.117 -0.041 0.000 1.184 90 I CA 2.374 63.652 61.300 -0.036 0.000 1.451 90 I CB -2.175 35.788 38.000 -0.062 0.000 1.089 90 I HN 1.037 nan 8.210 nan 0.000 0.441 91 K N 0.424 120.816 120.400 -0.012 0.000 2.152 91 K HA -0.250 4.069 4.320 -0.001 0.000 0.206 91 K C 1.726 178.321 176.600 -0.009 0.000 1.048 91 K CA 1.850 58.131 56.287 -0.009 0.000 0.933 91 K CB -1.111 31.392 32.500 0.005 0.000 0.721 91 K HN 0.830 nan 8.250 nan 0.000 0.447 92 D N -0.482 119.923 120.400 0.008 0.000 2.333 92 D HA 0.028 4.668 4.640 -0.001 0.000 0.208 92 D C 1.670 177.980 176.300 0.017 0.000 0.984 92 D CA 0.902 54.918 54.000 0.026 0.000 0.873 92 D CB 0.612 41.448 40.800 0.059 0.000 0.935 92 D HN 0.279 nan 8.370 nan 0.000 0.521 93 V N 0.446 120.333 119.914 -0.045 0.000 2.521 93 V HA 0.108 4.228 4.120 -0.001 0.000 0.239 93 V C 1.114 177.069 176.094 -0.232 0.000 1.053 93 V CA 0.646 62.837 62.300 -0.182 0.000 1.073 93 V CB 0.435 32.019 31.823 -0.397 0.000 0.746 93 V HN 0.013 nan 8.190 nan 0.000 0.476 94 L N -0.290 120.815 121.223 -0.197 0.000 2.319 94 L HA 0.824 5.164 4.340 -0.001 0.000 0.267 94 L C 0.036 176.844 176.870 -0.102 0.000 1.011 94 L CA -0.519 54.217 54.840 -0.174 0.000 0.818 94 L CB 1.632 43.559 42.059 -0.220 0.000 1.316 94 L HN 0.211 nan 8.230 nan 0.000 0.432 95 R N 0.752 121.202 120.500 -0.083 0.000 2.854 95 R HA 0.483 4.823 4.340 -0.001 0.000 0.271 95 R C -0.556 175.712 176.300 -0.054 0.000 0.996 95 R CA -0.806 55.262 56.100 -0.054 0.000 0.961 95 R CB 1.103 31.383 30.300 -0.035 0.000 1.182 95 R HN 0.721 nan 8.270 nan 0.000 0.479 96 E N 0.357 120.532 120.200 -0.041 0.000 2.465 96 E HA 0.318 4.668 4.350 -0.001 0.000 0.260 96 E C 1.135 177.714 176.600 -0.035 0.000 0.980 96 E CA 1.869 58.244 56.400 -0.040 0.000 0.927 96 E CB 0.297 29.977 29.700 -0.033 0.000 0.934 96 E HN 1.183 nan 8.360 nan 0.000 0.459 97 G N 3.389 112.166 108.800 -0.039 0.000 2.184 97 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.264 97 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.264 97 G C 0.235 175.122 174.900 -0.021 0.000 0.975 97 G CA 0.476 45.560 45.100 -0.026 0.000 0.642 97 G HN 0.611 nan 8.290 nan 0.000 0.536 98 Q N 1.137 120.916 119.800 -0.035 0.000 2.271 98 Q HA 0.312 4.652 4.340 -0.001 0.000 0.273 98 Q C 0.317 176.293 176.000 -0.040 0.000 1.051 98 Q CA 0.004 55.788 55.803 -0.033 0.000 0.901 98 Q CB 0.245 28.952 28.738 -0.051 0.000 1.174 98 Q HN 0.627 nan 8.270 nan 0.000 0.385 99 E N 1.765 121.960 120.200 -0.008 0.000 2.383 99 E HA 0.291 4.641 4.350 -0.001 0.000 0.264 99 E C -1.020 175.566 176.600 -0.024 0.000 1.050 99 E CA -0.228 56.171 56.400 -0.002 0.000 0.896 99 E CB 1.635 31.357 29.700 0.037 0.000 0.982 99 E HN 0.359 nan 8.360 nan 0.000 0.424 100 V N 1.487 121.363 119.914 -0.063 0.000 2.924 100 V HA 0.456 4.575 4.120 -0.001 0.000 0.300 100 V C -0.908 175.139 176.094 -0.078 0.000 1.227 100 V CA -0.481 61.711 62.300 -0.180 0.000 0.954 100 V CB 1.607 33.141 31.823 -0.482 0.000 1.055 100 V HN 0.651 nan 8.190 nan 0.000 0.429 101 I N 5.934 126.542 120.570 0.063 0.000 2.363 101 I HA 0.814 4.984 4.170 -0.001 0.000 0.292 101 I C -0.256 175.901 176.117 0.066 0.000 1.075 101 I CA 0.126 61.490 61.300 0.106 0.000 1.333 101 I CB 0.869 38.998 38.000 0.216 0.000 1.415 101 I HN 0.582 nan 8.210 nan 0.000 0.502 102 V N 5.584 125.527 119.914 0.047 0.000 2.735 102 V HA 0.605 4.724 4.120 -0.001 0.000 0.310 102 V C -0.185 175.966 176.094 0.094 0.000 1.061 102 V CA -0.628 61.683 62.300 0.019 0.000 0.913 102 V CB 1.858 33.649 31.823 -0.052 0.000 1.005 102 V HN 1.015 nan 8.190 nan 0.000 0.428 103 Q N 3.159 122.999 119.800 0.067 0.000 2.377 103 Q HA 0.617 4.957 4.340 -0.001 0.000 0.271 103 Q C -1.271 174.752 176.000 0.038 0.000 1.077 103 Q CA -0.779 55.082 55.803 0.096 0.000 0.820 103 Q CB 2.141 30.941 28.738 0.104 0.000 1.347 103 Q HN 0.716 nan 8.270 nan 0.000 0.444 104 I N 3.580 124.183 120.570 0.055 0.000 2.471 104 I HA 0.004 4.173 4.170 -0.001 0.000 0.286 104 I C 0.229 176.365 176.117 0.032 0.000 1.079 104 I CA -0.132 61.169 61.300 0.002 0.000 1.398 104 I CB 0.842 38.857 38.000 0.024 0.000 1.403 104 I HN 0.752 nan 8.210 nan 0.000 0.530 105 D N 4.850 125.262 120.400 0.020 0.000 2.202 105 D HA 0.079 4.719 4.640 -0.001 0.000 0.214 105 D C 0.124 176.443 176.300 0.032 0.000 0.967 105 D CA 1.410 55.430 54.000 0.034 0.000 0.871 105 D CB 0.396 41.219 40.800 0.039 0.000 1.020 105 D HN 0.421 nan 8.370 nan 0.000 0.474 106 K N 0.669 121.085 120.400 0.026 0.000 2.482 106 K HA 0.304 4.624 4.320 -0.001 0.000 0.251 106 K C -0.446 176.171 176.600 0.028 0.000 0.936 106 K CA -0.567 55.736 56.287 0.026 0.000 0.791 106 K CB 2.980 35.493 32.500 0.022 0.000 1.213 106 K HN -0.089 nan 8.250 nan 0.000 0.428 107 E N 1.476 121.698 120.200 0.035 0.000 2.416 107 E HA -0.016 4.334 4.350 -0.001 0.000 0.254 107 E C -0.449 176.179 176.600 0.047 0.000 1.241 107 E CA -0.085 56.344 56.400 0.048 0.000 0.969 107 E CB 0.623 30.354 29.700 0.051 0.000 0.999 107 E HN 0.432 nan 8.360 nan 0.000 0.481 108 E N -0.037 120.202 120.200 0.064 0.000 2.376 108 E HA 0.129 4.479 4.350 -0.001 0.000 0.266 108 E C -0.412 176.210 176.600 0.036 0.000 1.009 108 E CA 0.237 56.673 56.400 0.059 0.000 0.902 108 E CB 0.401 30.145 29.700 0.072 0.000 0.972 108 E HN 0.411 nan 8.360 nan 0.000 0.439 109 R N 3.202 123.717 120.500 0.024 0.000 2.545 109 R HA 0.471 4.811 4.340 -0.001 0.000 0.289 109 R C 0.599 176.903 176.300 0.006 0.000 1.327 109 R CA -0.006 56.101 56.100 0.012 0.000 1.040 109 R CB 0.260 30.562 30.300 0.003 0.000 1.176 109 R HN 0.917 nan 8.270 nan 0.000 0.518 110 G N 1.877 110.682 108.800 0.008 0.000 2.665 110 G HA2 -0.418 3.542 3.960 -0.001 0.000 0.326 110 G HA3 -0.418 3.542 3.960 -0.001 0.000 0.326 110 G C 0.935 175.839 174.900 0.007 0.000 1.231 110 G CA 1.023 46.126 45.100 0.005 0.000 0.992 110 G HN 0.720 nan 8.290 nan 0.000 0.549 111 N N 2.141 120.843 118.700 0.004 0.000 2.494 111 N HA 0.273 5.013 4.740 -0.001 0.000 0.182 111 N C 1.236 176.757 175.510 0.018 0.000 1.076 111 N CA 1.679 54.734 53.050 0.008 0.000 0.908 111 N CB -0.136 38.353 38.487 0.004 0.000 0.967 111 N HN 1.037 nan 8.380 nan 0.000 0.449 112 K N 1.029 121.435 120.400 0.010 0.000 2.262 112 K HA 0.598 4.917 4.320 -0.001 0.000 0.282 112 K C 0.659 177.282 176.600 0.038 0.000 1.066 112 K CA -0.351 55.937 56.287 0.003 0.000 0.901 112 K CB 0.054 32.528 32.500 -0.044 0.000 1.089 112 K HN 0.170 nan 8.250 nan 0.000 0.476 113 G N 0.681 109.536 108.800 0.092 0.000 2.569 113 G HA2 0.493 4.453 3.960 -0.001 0.000 0.249 113 G HA3 0.493 4.453 3.960 -0.001 0.000 0.249 113 G C 0.481 175.455 174.900 0.123 0.000 1.216 113 G CA 0.137 45.326 45.100 0.149 0.000 0.845 113 G HN 1.347 nan 8.290 nan 0.000 0.568 114 A N 0.531 123.430 122.820 0.131 0.000 2.540 114 A HA 0.509 4.829 4.320 -0.001 0.000 0.239 114 A C 1.117 178.736 177.584 0.058 0.000 1.061 114 A CA 0.434 52.503 52.037 0.053 0.000 0.758 114 A CB -0.127 18.859 19.000 -0.022 0.000 0.991 114 A HN 1.950 nan 8.150 nan 0.000 0.502 115 A N 2.916 125.770 122.820 0.056 0.000 2.522 115 A HA 0.493 4.813 4.320 -0.001 0.000 0.256 115 A C 0.084 177.684 177.584 0.028 0.000 1.086 115 A CA 0.203 52.300 52.037 0.100 0.000 0.763 115 A CB -0.476 18.573 19.000 0.082 0.000 1.024 115 A HN 0.809 nan 8.150 nan 0.000 0.502 116 L N 1.793 123.017 121.223 0.002 0.000 2.333 116 L HA 0.754 5.094 4.340 -0.001 0.000 0.269 116 L C 0.375 177.222 176.870 -0.038 0.000 1.010 116 L CA -0.614 54.189 54.840 -0.062 0.000 0.818 116 L CB 2.339 44.313 42.059 -0.142 0.000 1.306 116 L HN 0.659 nan 8.230 nan 0.000 0.430 117 T N -1.658 112.887 114.554 -0.016 0.000 2.900 117 T HA 0.297 4.647 4.350 -0.001 0.000 0.295 117 T C 0.737 175.422 174.700 -0.024 0.000 1.044 117 T CA 0.053 62.161 62.100 0.014 0.000 0.995 117 T CB 1.572 70.515 68.868 0.125 0.000 1.072 117 T HN 0.838 nan 8.240 nan 0.000 0.473 118 T N 1.385 115.867 114.554 -0.119 0.000 3.014 118 T HA 0.164 4.514 4.350 -0.001 0.000 0.263 118 T C 0.667 175.338 174.700 -0.049 0.000 1.078 118 T CA 0.357 62.376 62.100 -0.134 0.000 1.135 118 T CB -0.489 68.212 68.868 -0.279 0.000 0.895 118 T HN 0.454 nan 8.240 nan 0.000 0.480 119 F N 2.522 122.517 119.950 0.074 0.000 2.662 119 F HA 0.404 4.933 4.527 0.002 0.000 0.343 119 F C 0.543 176.339 175.800 -0.006 0.000 1.302 119 F CA -1.836 56.183 58.000 0.032 0.000 1.142 119 F CB -1.165 37.845 39.000 0.016 0.000 1.524 119 F HN 0.135 nan 8.300 nan 0.000 0.668 120 I N 1.956 122.598 120.570 0.121 0.000 2.754 120 I HA 0.100 4.269 4.170 -0.001 0.000 0.285 120 I C 0.396 176.490 176.117 -0.039 0.000 1.166 120 I CA 0.158 61.489 61.300 0.052 0.000 1.417 120 I CB 0.714 38.772 38.000 0.097 0.000 1.382 120 I HN 0.456 nan 8.210 nan 0.000 0.588 121 S N 6.676 122.366 115.700 -0.018 0.000 2.672 121 S HA 0.612 5.081 4.470 -0.001 0.000 0.291 121 S C -0.893 173.674 174.600 -0.054 0.000 1.145 121 S CA -0.939 57.229 58.200 -0.054 0.000 1.013 121 S CB 1.031 64.216 63.200 -0.026 0.000 1.017 121 S HN 0.435 nan 8.310 nan 0.000 0.487 122 L N 3.128 124.299 121.223 -0.088 0.000 2.262 122 L HA 0.672 5.012 4.340 -0.001 0.000 0.288 122 L C 0.358 177.169 176.870 -0.098 0.000 1.035 122 L CA -0.714 54.055 54.840 -0.119 0.000 0.820 122 L CB 1.271 43.262 42.059 -0.113 0.000 1.204 122 L HN 0.928 nan 8.230 nan 0.000 0.424 123 A N 2.970 125.739 122.820 -0.085 0.000 2.276 123 A HA 0.704 5.024 4.320 -0.001 0.000 0.300 123 A C 0.468 178.010 177.584 -0.069 0.000 1.235 123 A CA -0.034 51.970 52.037 -0.055 0.000 0.867 123 A CB 0.764 19.748 19.000 -0.027 0.000 1.137 123 A HN 0.762 nan 8.150 nan 0.000 0.527 124 G N 0.417 109.180 108.800 -0.061 0.000 2.736 124 G HA2 0.412 4.372 3.960 -0.001 0.000 0.229 124 G HA3 0.412 4.372 3.960 -0.001 0.000 0.229 124 G C 1.062 175.890 174.900 -0.121 0.000 1.380 124 G CA 0.492 45.545 45.100 -0.079 0.000 1.040 124 G HN 0.575 nan 8.290 nan 0.000 0.568 125 S N -1.276 114.286 115.700 -0.230 0.000 2.356 125 S HA -0.055 4.414 4.470 -0.001 0.000 0.223 125 S C 1.739 176.081 174.600 -0.431 0.000 1.032 125 S CA 1.568 59.477 58.200 -0.486 0.000 1.005 125 S CB -0.309 62.331 63.200 -0.933 0.000 0.867 125 S HN 0.502 nan 8.310 nan 0.000 0.449 126 Y N -0.556 119.761 120.300 0.029 0.000 2.452 126 Y HA 0.519 5.069 4.550 -0.001 0.000 0.262 126 Y C 0.289 176.199 175.900 0.017 0.000 1.089 126 Y CA -0.532 57.581 58.100 0.023 0.000 1.262 126 Y CB 0.317 38.801 38.460 0.041 0.000 1.236 126 Y HN 0.037 nan 8.280 nan 0.000 0.512 127 L N 0.236 121.540 121.223 0.135 0.000 2.354 127 L HA 0.678 5.018 4.340 -0.001 0.000 0.269 127 L C -1.033 175.849 176.870 0.021 0.000 1.005 127 L CA -1.159 53.727 54.840 0.077 0.000 0.819 127 L CB 2.712 44.820 42.059 0.082 0.000 1.311 127 L HN -0.410 nan 8.230 nan 0.000 0.423 128 V N 3.348 123.264 119.914 0.004 0.000 2.304 128 V HA 0.251 4.371 4.120 -0.001 0.000 0.278 128 V C -0.220 175.850 176.094 -0.041 0.000 1.018 128 V CA -0.474 61.812 62.300 -0.023 0.000 0.814 128 V CB 1.470 33.279 31.823 -0.022 0.000 1.021 128 V HN 0.415 nan 8.190 nan 0.000 0.440 129 L N 6.692 127.881 121.223 -0.056 0.000 2.360 129 L HA 0.447 4.787 4.340 -0.001 0.000 0.276 129 L C 0.197 176.984 176.870 -0.138 0.000 1.121 129 L CA 0.594 55.382 54.840 -0.088 0.000 0.845 129 L CB 0.855 42.864 42.059 -0.084 0.000 1.143 129 L HN 0.527 nan 8.230 nan 0.000 0.452 130 M N 7.584 127.093 119.600 -0.151 0.000 2.480 130 M HA 0.298 4.777 4.480 -0.001 0.000 0.320 130 M C -1.918 174.223 176.300 -0.265 0.000 1.141 130 M CA -1.672 53.520 55.300 -0.180 0.000 1.102 130 M CB 0.571 33.101 32.600 -0.117 0.000 1.249 130 M HN 0.345 nan 8.290 nan 0.000 0.446 131 P HA -0.021 nan 4.420 nan 0.000 0.234 131 P C 0.900 177.918 177.300 -0.471 0.000 1.167 131 P CA 1.146 63.840 63.100 -0.677 0.000 0.763 131 P CB 0.276 30.954 31.700 -1.703 0.000 0.835 132 N N -0.383 118.128 118.700 -0.314 0.000 2.511 132 N HA -0.012 4.728 4.740 -0.001 0.000 0.190 132 N C 0.188 175.763 175.510 0.109 0.000 1.037 132 N CA 0.365 53.384 53.050 -0.053 0.000 0.895 132 N CB -0.014 38.513 38.487 0.066 0.000 1.149 132 N HN 0.045 nan 8.380 nan 0.000 0.437 133 N N 0.546 119.287 118.700 0.068 0.000 2.407 133 N HA 0.247 4.986 4.740 -0.001 0.000 0.277 133 N C -2.510 172.955 175.510 -0.075 0.000 0.995 133 N CA -1.433 51.612 53.050 -0.010 0.000 0.903 133 N CB 2.568 40.911 38.487 -0.241 0.000 1.218 133 N HN 0.012 nan 8.380 nan 0.000 0.487 134 P HA -0.018 nan 4.420 nan 0.000 0.233 134 P C 0.993 178.251 177.300 -0.069 0.000 1.167 134 P CA 0.544 63.611 63.100 -0.055 0.000 0.770 134 P CB 0.475 32.155 31.700 -0.034 0.000 0.837 135 R N -0.102 120.342 120.500 -0.095 0.000 2.280 135 R HA 0.149 4.489 4.340 -0.001 0.000 0.207 135 R C 0.712 176.948 176.300 -0.107 0.000 1.043 135 R CA 0.159 56.197 56.100 -0.103 0.000 1.006 135 R CB -0.092 30.130 30.300 -0.130 0.000 0.885 135 R HN 0.120 nan 8.270 nan 0.000 0.467 136 A N -0.233 122.518 122.820 -0.115 0.000 2.295 136 A HA 0.698 5.018 4.320 -0.001 0.000 0.318 136 A C -0.251 177.291 177.584 -0.070 0.000 1.134 136 A CA 0.062 52.040 52.037 -0.099 0.000 0.827 136 A CB 1.403 20.334 19.000 -0.115 0.000 1.136 136 A HN 0.318 nan 8.150 nan 0.000 0.493 137 G N -1.231 107.536 108.800 -0.055 0.000 2.329 137 G HA2 0.678 4.637 3.960 -0.001 0.000 0.308 137 G HA3 0.678 4.637 3.960 -0.001 0.000 0.308 137 G C -0.313 174.569 174.900 -0.030 0.000 1.587 137 G CA 0.257 45.333 45.100 -0.040 0.000 0.978 137 G HN 2.596 nan 8.290 nan 0.000 0.685 138 G N -0.828 107.959 108.800 -0.021 0.000 2.345 138 G HA2 0.532 4.492 3.960 -0.001 0.000 0.285 138 G HA3 0.532 4.492 3.960 -0.001 0.000 0.285 138 G C -1.356 173.539 174.900 -0.008 0.000 1.297 138 G CA -0.292 44.799 45.100 -0.015 0.000 0.875 138 G HN 1.116 nan 8.290 nan 0.000 0.506 139 I N 1.019 121.585 120.570 -0.006 0.000 2.460 139 I HA 0.468 4.638 4.170 -0.001 0.000 0.298 139 I C 1.188 177.304 176.117 -0.001 0.000 0.989 139 I CA -0.666 60.633 61.300 -0.002 0.000 1.173 139 I CB 1.879 39.877 38.000 -0.003 0.000 1.338 139 I HN 0.562 nan 8.210 nan 0.000 0.456 140 S N 3.637 119.339 115.700 0.003 0.000 2.599 140 S HA -0.062 4.408 4.470 -0.001 0.000 0.303 140 S C 1.574 176.174 174.600 0.000 0.000 1.267 140 S CA 0.590 58.792 58.200 0.003 0.000 1.055 140 S CB 0.611 63.816 63.200 0.009 0.000 0.790 140 S HN 0.759 nan 8.310 nan 0.000 0.500 141 R N 3.398 123.897 120.500 -0.001 0.000 2.152 141 R HA -0.040 4.299 4.340 -0.001 0.000 0.232 141 R C 2.394 178.694 176.300 -0.001 0.000 1.117 141 R CA 2.151 58.250 56.100 -0.002 0.000 0.981 141 R CB -1.980 28.318 30.300 -0.003 0.000 0.870 141 R HN 0.962 nan 8.270 nan 0.000 0.451 142 R N 0.618 121.118 120.500 0.001 0.000 2.339 142 R HA 0.351 4.691 4.340 -0.001 0.000 0.199 142 R C 0.674 176.974 176.300 0.001 0.000 1.018 142 R CA 1.022 57.123 56.100 0.002 0.000 1.036 142 R CB -0.577 29.726 30.300 0.004 0.000 0.899 142 R HN 0.509 nan 8.270 nan 0.000 0.473 143 I N 0.589 121.159 120.570 -0.000 0.000 2.465 143 I HA 0.396 4.565 4.170 -0.001 0.000 0.291 143 I C -0.390 175.725 176.117 -0.003 0.000 1.014 143 I CA -0.882 60.417 61.300 -0.002 0.000 1.093 143 I CB 1.898 39.897 38.000 -0.002 0.000 1.267 143 I HN 0.319 nan 8.210 nan 0.000 0.431 147 D N 0.362 120.757 120.400 -0.009 0.000 2.123 147 D HA 0.008 4.648 4.640 -0.001 0.000 0.196 147 D C 2.609 178.901 176.300 -0.012 0.000 0.992 147 D CA 2.550 56.543 54.000 -0.013 0.000 0.833 147 D CB -0.379 40.413 40.800 -0.013 0.000 0.954 147 D HN 0.655 nan 8.370 nan 0.000 0.455 148 R N 0.574 121.069 120.500 -0.009 0.000 2.115 148 R HA -0.038 4.302 4.340 -0.001 0.000 0.226 148 R C 2.432 178.727 176.300 -0.008 0.000 1.100 148 R CA 2.141 58.236 56.100 -0.008 0.000 0.980 148 R CB -2.023 28.273 30.300 -0.006 0.000 0.875 148 R HN 0.446 nan 8.270 nan 0.000 0.445 149 T N 0.002 114.552 114.554 -0.008 0.000 2.565 149 T HA -0.175 4.174 4.350 -0.001 0.000 0.265 149 T C 2.296 176.991 174.700 -0.009 0.000 1.082 149 T CA 3.632 65.728 62.100 -0.007 0.000 1.173 149 T CB -0.699 68.165 68.868 -0.006 0.000 0.864 149 T HN 0.656 nan 8.240 nan 0.000 0.425 150 E N 0.687 120.880 120.200 -0.012 0.000 2.076 150 E HA 0.380 4.730 4.350 -0.001 0.000 0.190 150 E C 2.767 179.357 176.600 -0.015 0.000 0.979 150 E CA 1.807 58.198 56.400 -0.014 0.000 0.807 150 E CB -1.481 28.209 29.700 -0.018 0.000 0.761 150 E HN 1.046 nan 8.360 nan 0.000 0.454 151 L N 1.163 122.376 121.223 -0.017 0.000 1.978 151 L HA -0.045 4.294 4.340 -0.001 0.000 0.218 151 L C 3.116 179.980 176.870 -0.010 0.000 1.075 151 L CA 4.382 59.212 54.840 -0.017 0.000 0.767 151 L CB -2.264 39.785 42.059 -0.016 0.000 0.890 151 L HN 0.735 nan 8.230 nan 0.000 0.434 152 K N -0.137 120.258 120.400 -0.008 0.000 2.218 152 K HA -0.123 4.197 4.320 -0.001 0.000 0.205 152 K C 2.241 178.838 176.600 -0.005 0.000 1.046 152 K CA 3.004 59.287 56.287 -0.006 0.000 0.933 152 K CB -1.659 30.837 32.500 -0.007 0.000 0.728 152 K HN 1.097 nan 8.250 nan 0.000 0.454 153 E N 0.080 120.277 120.200 -0.006 0.000 2.051 153 E HA 0.333 4.683 4.350 -0.001 0.000 0.189 153 E C 2.514 179.112 176.600 -0.004 0.000 0.979 153 E CA 1.324 57.721 56.400 -0.005 0.000 0.803 153 E CB -0.893 28.803 29.700 -0.006 0.000 0.761 153 E HN 0.847 nan 8.360 nan 0.000 0.451 154 A N 0.555 123.371 122.820 -0.006 0.000 1.972 154 A HA 0.233 4.553 4.320 -0.001 0.000 0.219 154 A C 2.794 180.380 177.584 0.003 0.000 1.169 154 A CA 2.751 54.785 52.037 -0.004 0.000 0.635 154 A CB -0.977 18.014 19.000 -0.014 0.000 0.810 154 A HN 1.225 nan 8.150 nan 0.000 0.446 155 L N -1.131 120.093 121.223 0.001 0.000 2.046 155 L HA 0.208 4.548 4.340 -0.001 0.000 0.208 155 L C 2.919 179.792 176.870 0.006 0.000 1.077 155 L CA 2.575 57.418 54.840 0.005 0.000 0.747 155 L CB -2.135 39.924 42.059 0.001 0.000 0.896 155 L HN 0.666 nan 8.230 nan 0.000 0.432 156 A N 0.126 122.947 122.820 0.003 0.000 2.019 156 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 156 A C 2.721 180.309 177.584 0.006 0.000 1.164 156 A CA 2.128 54.167 52.037 0.003 0.000 0.644 156 A CB -0.774 18.226 19.000 0.000 0.000 0.805 156 A HN 1.214 nan 8.150 nan 0.000 0.449 157 S N -1.351 114.355 115.700 0.009 0.000 2.496 157 S HA 0.369 4.839 4.470 -0.001 0.000 0.224 157 S C 0.935 175.547 174.600 0.020 0.000 0.996 157 S CA 0.423 58.630 58.200 0.013 0.000 0.927 157 S CB -1.403 61.805 63.200 0.012 0.000 0.774 157 S HN 1.085 nan 8.310 nan 0.000 0.524 158 L N 1.813 123.050 121.223 0.023 0.000 2.473 158 L HA 0.502 4.842 4.340 -0.001 0.000 0.268 158 L C 0.523 177.408 176.870 0.025 0.000 1.215 158 L CA -0.195 54.664 54.840 0.031 0.000 0.823 158 L CB -0.668 41.412 42.059 0.035 0.000 1.099 158 L HN 0.485 nan 8.230 nan 0.000 0.483 159 E N 2.322 122.540 120.200 0.029 0.000 1.986 159 E HA 0.456 4.806 4.350 -0.001 0.000 0.264 159 E C -1.128 175.484 176.600 0.020 0.000 1.023 159 E CA -0.359 56.055 56.400 0.023 0.000 0.834 159 E CB 1.215 30.930 29.700 0.026 0.000 1.111 159 E HN 0.545 nan 8.360 nan 0.000 0.417 160 L N 4.840 126.071 121.223 0.013 0.000 2.275 160 L HA 0.388 4.727 4.340 -0.001 0.000 0.288 160 L C -2.347 174.527 176.870 0.007 0.000 1.046 160 L CA -1.877 52.968 54.840 0.008 0.000 0.805 160 L CB 0.509 42.568 42.059 -0.001 0.000 1.193 160 L HN 0.217 nan 8.230 nan 0.000 0.426 161 P HA 0.052 nan 4.420 nan 0.000 0.267 161 P C 0.392 177.696 177.300 0.006 0.000 1.200 161 P CA -0.077 63.033 63.100 0.016 0.000 0.772 161 P CB 0.593 32.312 31.700 0.031 0.000 0.855 162 E N 1.661 121.866 120.200 0.009 0.000 2.085 162 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 162 E C 1.787 178.386 176.600 -0.001 0.000 0.994 162 E CA 1.499 57.901 56.400 0.004 0.000 0.801 162 E CB -0.578 29.126 29.700 0.007 0.000 0.743 162 E HN 0.699 nan 8.360 nan 0.000 0.453 163 G N 0.728 109.531 108.800 0.006 0.000 2.848 163 G HA2 0.041 4.000 3.960 -0.001 0.000 0.208 163 G HA3 0.041 4.000 3.960 -0.001 0.000 0.208 163 G C 0.629 175.519 174.900 -0.016 0.000 1.152 163 G CA 0.196 45.300 45.100 0.005 0.000 0.789 163 G HN 0.220 nan 8.290 nan 0.000 0.531 164 M N -0.499 119.080 119.600 -0.035 0.000 2.530 164 M HA 0.714 5.194 4.480 -0.001 0.000 0.307 164 M C -0.157 176.105 176.300 -0.064 0.000 1.161 164 M CA -0.975 54.280 55.300 -0.074 0.000 0.903 164 M CB 2.248 34.775 32.600 -0.122 0.000 1.711 164 M HN -0.108 nan 8.290 nan 0.000 0.451 165 G N 1.640 110.393 108.800 -0.078 0.000 2.441 165 G HA2 0.748 4.707 3.960 -0.001 0.000 0.334 165 G HA3 0.748 4.707 3.960 -0.001 0.000 0.334 165 G C -1.961 172.899 174.900 -0.068 0.000 1.161 165 G CA -0.617 44.444 45.100 -0.066 0.000 0.935 165 G HN 0.682 nan 8.290 nan 0.000 0.488 166 L N 0.256 121.451 121.223 -0.048 0.000 2.434 166 L HA 0.719 5.059 4.340 -0.001 0.000 0.260 166 L C -1.146 175.710 176.870 -0.025 0.000 0.983 166 L CA -0.779 54.038 54.840 -0.038 0.000 0.820 166 L CB 2.163 44.207 42.059 -0.025 0.000 1.361 166 L HN 0.477 nan 8.230 nan 0.000 0.410 167 I N 3.859 124.419 120.570 -0.018 0.000 2.433 167 I HA 0.442 4.612 4.170 -0.001 0.000 0.292 167 I C -0.628 175.495 176.117 0.011 0.000 1.001 167 I CA -1.106 60.189 61.300 -0.008 0.000 1.119 167 I CB 2.057 40.049 38.000 -0.014 0.000 1.289 167 I HN 0.232 nan 8.210 nan 0.000 0.438 168 V N 6.342 126.266 119.914 0.017 0.000 2.488 168 V HA 0.240 4.360 4.120 -0.001 0.000 0.277 168 V C 0.603 176.720 176.094 0.037 0.000 1.046 168 V CA -0.321 62.000 62.300 0.035 0.000 0.986 168 V CB 1.034 32.871 31.823 0.023 0.000 0.989 168 V HN 0.662 nan 8.190 nan 0.000 0.475 169 R N 2.706 123.244 120.500 0.064 0.000 2.747 169 R HA 0.230 4.570 4.340 -0.001 0.000 0.278 169 R C 1.530 177.863 176.300 0.055 0.000 1.153 169 R CA 0.521 56.657 56.100 0.061 0.000 1.206 169 R CB 0.261 30.614 30.300 0.088 0.000 1.161 169 R HN 0.815 nan 8.270 nan 0.000 0.589 170 T N 0.396 114.978 114.554 0.045 0.000 2.777 170 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 170 T C 1.543 176.275 174.700 0.054 0.000 1.040 170 T CA 1.473 63.594 62.100 0.036 0.000 1.141 170 T CB -0.282 68.601 68.868 0.024 0.000 0.868 170 T HN 0.659 nan 8.240 nan 0.000 0.444 171 A N 1.234 124.112 122.820 0.098 0.000 2.225 171 A HA 0.201 4.520 4.320 -0.001 0.000 0.215 171 A C 2.344 180.037 177.584 0.181 0.000 1.164 171 A CA 1.244 53.383 52.037 0.170 0.000 0.710 171 A CB -0.966 18.174 19.000 0.233 0.000 0.780 171 A HN 0.513 nan 8.150 nan 0.000 0.473 172 G N -1.137 107.727 108.800 0.106 0.000 2.744 172 G HA2 0.086 4.045 3.960 -0.001 0.000 0.211 172 G HA3 0.086 4.045 3.960 -0.001 0.000 0.211 172 G C 1.333 176.180 174.900 -0.089 0.000 1.143 172 G CA 0.708 45.791 45.100 -0.029 0.000 0.788 172 G HN 0.326 nan 8.290 nan 0.000 0.534 173 V N 1.475 121.360 119.914 -0.049 0.000 2.219 173 V HA -0.102 4.017 4.120 -0.001 0.000 0.248 173 V C 2.714 178.762 176.094 -0.077 0.000 1.053 173 V CA 2.853 65.124 62.300 -0.048 0.000 1.009 173 V CB -0.596 31.212 31.823 -0.025 0.000 0.636 173 V HN 0.338 nan 8.190 nan 0.000 0.445 174 G N -0.899 107.843 108.800 -0.096 0.000 2.880 174 G HA2 0.164 4.123 3.960 -0.001 0.000 0.209 174 G HA3 0.164 4.123 3.960 -0.001 0.000 0.209 174 G C 0.709 175.523 174.900 -0.145 0.000 1.157 174 G CA 0.624 45.665 45.100 -0.098 0.000 0.779 174 G HN 0.808 nan 8.290 nan 0.000 0.539 175 K N 0.956 121.216 120.400 -0.235 0.000 2.258 175 K HA 0.575 4.894 4.320 -0.001 0.000 0.264 175 K C 0.750 177.242 176.600 -0.180 0.000 1.007 175 K CA 0.090 56.194 56.287 -0.306 0.000 0.941 175 K CB 0.303 32.431 32.500 -0.621 0.000 0.966 175 K HN 0.568 nan 8.250 nan 0.000 0.480 176 S N -0.159 115.455 115.700 -0.143 0.000 2.632 176 S HA 0.543 5.012 4.470 -0.001 0.000 0.271 176 S C 1.488 176.057 174.600 -0.051 0.000 1.260 176 S CA -0.178 57.974 58.200 -0.079 0.000 1.010 176 S CB 1.540 64.705 63.200 -0.058 0.000 0.965 176 S HN 1.285 nan 8.310 nan 0.000 0.534 177 A N 0.892 123.698 122.820 -0.022 0.000 2.024 177 A HA -0.128 4.191 4.320 -0.001 0.000 0.220 177 A C 2.107 179.712 177.584 0.035 0.000 1.164 177 A CA 1.560 53.600 52.037 0.005 0.000 0.643 177 A CB -1.056 17.948 19.000 0.008 0.000 0.806 177 A HN 1.019 nan 8.150 nan 0.000 0.451 178 E N -0.513 119.706 120.200 0.030 0.000 2.285 178 E HA 0.133 4.483 4.350 -0.001 0.000 0.194 178 E C 1.801 178.463 176.600 0.104 0.000 0.997 178 E CA 0.801 57.238 56.400 0.062 0.000 0.845 178 E CB -0.257 29.464 29.700 0.036 0.000 0.782 178 E HN 0.463 nan 8.360 nan 0.000 0.491 179 A N 1.712 124.570 122.820 0.065 0.000 1.911 179 A HA 0.100 4.419 4.320 -0.001 0.000 0.212 179 A C 2.251 179.982 177.584 0.246 0.000 1.189 179 A CA 0.362 52.464 52.037 0.109 0.000 0.639 179 A CB -0.482 18.501 19.000 -0.029 0.000 0.839 179 A HN 0.205 nan 8.150 nan 0.000 0.449 180 L N -0.565 120.737 121.223 0.132 0.000 2.079 180 L HA -0.262 4.078 4.340 -0.001 0.000 0.210 180 L C 3.368 180.363 176.870 0.209 0.000 1.081 180 L CA 1.667 56.610 54.840 0.171 0.000 0.752 180 L CB -0.998 41.103 42.059 0.069 0.000 0.896 180 L HN 0.617 nan 8.230 nan 0.000 0.433 181 Q N -0.296 119.615 119.800 0.184 0.000 2.084 181 Q HA -0.313 4.026 4.340 -0.001 0.000 0.202 181 Q C 1.793 177.935 176.000 0.236 0.000 0.978 181 Q CA 2.113 58.020 55.803 0.173 0.000 0.844 181 Q CB -1.719 27.105 28.738 0.144 0.000 0.898 181 Q HN 0.751 nan 8.270 nan 0.000 0.426 182 W N 0.868 122.243 121.300 0.124 0.000 2.392 182 W HA -0.087 4.572 4.660 -0.001 0.000 0.279 182 W C 1.608 178.264 176.519 0.229 0.000 1.225 182 W CA 1.467 58.918 57.345 0.177 0.000 1.233 182 W CB 0.183 29.732 29.460 0.149 0.000 1.122 182 W HN 0.484 nan 8.180 nan 0.000 0.561 183 D N 0.333 120.925 120.400 0.320 0.000 2.091 183 D HA -0.207 4.433 4.640 -0.001 0.000 0.199 183 D C 2.743 179.060 176.300 0.028 0.000 0.980 183 D CA 2.782 56.843 54.000 0.102 0.000 0.831 183 D CB -0.714 40.266 40.800 0.300 0.000 0.987 183 D HN 0.123 nan 8.370 nan 0.000 0.460 184 L N 0.515 121.787 121.223 0.082 0.000 2.034 184 L HA -0.209 4.131 4.340 -0.001 0.000 0.217 184 L C 2.682 179.563 176.870 0.018 0.000 1.077 184 L CA 3.036 57.906 54.840 0.049 0.000 0.769 184 L CB -1.962 40.133 42.059 0.060 0.000 0.890 184 L HN 0.302 nan 8.230 nan 0.000 0.435 185 S N -1.717 113.980 115.700 -0.005 0.000 2.351 185 S HA -0.237 4.232 4.470 -0.001 0.000 0.220 185 S C 2.124 176.660 174.600 -0.107 0.000 1.035 185 S CA 1.701 59.866 58.200 -0.059 0.000 1.031 185 S CB -0.688 62.462 63.200 -0.082 0.000 0.928 185 S HN 0.667 nan 8.310 nan 0.000 0.433 186 F N 2.431 122.175 119.950 -0.343 0.000 2.236 186 F HA -0.073 4.453 4.527 -0.001 0.000 0.302 186 F C 2.663 178.387 175.800 -0.126 0.000 1.073 186 F CA 1.477 59.285 58.000 -0.319 0.000 1.336 186 F CB -0.123 38.531 39.000 -0.576 0.000 1.040 186 F HN 0.197 nan 8.300 nan 0.000 0.507 187 R N 0.001 120.540 120.500 0.064 0.000 2.057 187 R HA -0.068 4.272 4.340 -0.001 0.000 0.229 187 R C 2.328 178.707 176.300 0.132 0.000 1.136 187 R CA 1.140 57.284 56.100 0.074 0.000 0.952 187 R CB -1.242 29.073 30.300 0.025 0.000 0.848 187 R HN 0.334 nan 8.270 nan 0.000 0.430 188 L N 1.570 122.845 121.223 0.086 0.000 2.013 188 L HA -0.259 4.081 4.340 -0.001 0.000 0.212 188 L C 3.149 180.091 176.870 0.119 0.000 1.073 188 L CA 2.524 57.440 54.840 0.127 0.000 0.753 188 L CB -0.991 41.106 42.059 0.063 0.000 0.890 188 L HN 0.286 nan 8.230 nan 0.000 0.432 189 K N -0.379 120.025 120.400 0.007 0.000 2.057 189 K HA -0.262 4.058 4.320 -0.001 0.000 0.207 189 K C 1.834 178.427 176.600 -0.012 0.000 1.049 189 K CA 1.885 58.134 56.287 -0.064 0.000 0.931 189 K CB -1.484 30.884 32.500 -0.220 0.000 0.714 189 K HN 0.581 nan 8.250 nan 0.000 0.440 190 H N -1.603 117.454 119.070 -0.021 0.000 2.353 190 H HA -0.104 4.451 4.556 -0.001 0.000 0.300 190 H C 2.041 177.415 175.328 0.076 0.000 1.090 190 H CA 2.142 58.206 56.048 0.025 0.000 1.327 190 H CB -0.158 29.633 29.762 0.049 0.000 1.383 190 H HN 0.687 nan 8.280 nan 0.000 0.508 191 W N 1.382 122.726 121.300 0.073 0.000 2.402 191 W HA -0.119 4.542 4.660 0.002 0.000 0.286 191 W C 1.041 177.539 176.519 -0.035 0.000 1.221 191 W CA 1.013 58.374 57.345 0.027 0.000 1.257 191 W CB 0.227 29.708 29.460 0.034 0.000 1.120 191 W HN 0.309 nan 8.180 nan 0.000 0.551 192 E N 0.568 120.663 120.200 -0.175 0.000 2.208 192 E HA -0.117 4.232 4.350 -0.001 0.000 0.193 192 E C 2.264 178.686 176.600 -0.297 0.000 0.988 192 E CA 1.283 57.511 56.400 -0.287 0.000 0.828 192 E CB -0.583 29.036 29.700 -0.135 0.000 0.763 192 E HN 0.337 nan 8.360 nan 0.000 0.478 193 A N 1.225 123.890 122.820 -0.258 0.000 2.016 193 A HA 0.021 4.340 4.320 -0.001 0.000 0.217 193 A C 2.552 179.968 177.584 -0.280 0.000 1.162 193 A CA 1.270 53.159 52.037 -0.246 0.000 0.662 193 A CB -0.759 18.096 19.000 -0.241 0.000 0.812 193 A HN 0.228 nan 8.150 nan 0.000 0.450 194 I N 1.290 121.646 120.570 -0.356 0.000 2.163 194 I HA -0.147 4.022 4.170 -0.001 0.000 0.240 194 I C 2.276 178.182 176.117 -0.352 0.000 1.081 194 I CA 2.240 63.357 61.300 -0.305 0.000 1.353 194 I CB -1.425 36.462 38.000 -0.189 0.000 1.054 194 I HN 0.620 nan 8.210 nan 0.000 0.407 195 K N 0.956 120.996 120.400 -0.600 0.000 2.525 195 K HA 0.102 4.422 4.320 -0.001 0.000 0.192 195 K C 1.782 178.213 176.600 -0.281 0.000 1.029 195 K CA 1.261 57.248 56.287 -0.500 0.000 1.029 195 K CB -0.323 31.731 32.500 -0.744 0.000 0.814 195 K HN 0.565 nan 8.250 nan 0.000 0.503 196 K N 0.852 121.110 120.400 -0.236 0.000 2.365 196 K HA 0.343 4.663 4.320 -0.001 0.000 0.195 196 K C 1.956 178.515 176.600 -0.069 0.000 1.079 196 K CA 0.503 56.706 56.287 -0.140 0.000 0.979 196 K CB -0.064 32.350 32.500 -0.143 0.000 0.929 196 K HN 0.283 nan 8.250 nan 0.000 0.523 197 A N 0.511 123.296 122.820 -0.058 0.000 2.167 197 A HA 0.510 4.830 4.320 -0.001 0.000 0.214 197 A C 2.387 180.065 177.584 0.157 0.000 1.151 197 A CA 1.488 53.549 52.037 0.041 0.000 0.735 197 A CB -0.269 18.756 19.000 0.042 0.000 0.802 197 A HN 0.728 nan 8.150 nan 0.000 0.467 198 A N -0.988 121.866 122.820 0.056 0.000 1.993 198 A HA 0.393 4.713 4.320 -0.001 0.000 0.207 198 A C 1.944 179.581 177.584 0.089 0.000 1.224 198 A CA 1.271 53.352 52.037 0.073 0.000 0.749 198 A CB -0.493 18.464 19.000 -0.072 0.000 0.884 198 A HN 0.573 nan 8.150 nan 0.000 0.467 199 E N 0.559 120.771 120.200 0.020 0.000 2.338 199 E HA -0.110 4.240 4.350 -0.001 0.000 0.197 199 E C 1.995 178.615 176.600 0.034 0.000 1.007 199 E CA 1.843 58.251 56.400 0.014 0.000 0.849 199 E CB -1.006 28.677 29.700 -0.029 0.000 0.774 199 E HN 0.904 nan 8.360 nan 0.000 0.506 200 S N -1.507 114.224 115.700 0.052 0.000 2.406 200 S HA 0.153 4.623 4.470 -0.001 0.000 0.224 200 S C 1.492 176.123 174.600 0.051 0.000 1.030 200 S CA 0.542 58.764 58.200 0.037 0.000 0.958 200 S CB 0.179 63.385 63.200 0.010 0.000 0.811 200 S HN 0.484 nan 8.310 nan 0.000 0.489 201 R N 1.093 121.671 120.500 0.130 0.000 3.024 201 R HA 0.668 5.008 4.340 -0.001 0.000 0.224 201 R C -2.843 173.589 176.300 0.220 0.000 1.490 201 R CA -1.933 54.235 56.100 0.114 0.000 1.057 201 R CB 0.770 31.054 30.300 -0.026 0.000 1.723 201 R HN 0.150 nan 8.270 nan 0.000 0.520 202 P HA 0.376 nan 4.420 nan 0.000 0.330 202 P C -1.560 175.938 177.300 0.330 0.000 1.274 202 P CA -0.608 62.614 63.100 0.204 0.000 0.802 202 P CB 0.790 32.552 31.700 0.103 0.000 1.384 203 A N 0.670 123.610 122.820 0.200 0.000 2.455 203 A HA 0.424 4.743 4.320 -0.001 0.000 0.244 203 A C -2.083 175.674 177.584 0.289 0.000 1.099 203 A CA -0.150 52.001 52.037 0.190 0.000 0.786 203 A CB -1.504 17.557 19.000 0.103 0.000 1.051 203 A HN 0.402 nan 8.150 nan 0.000 0.508 204 P HA 0.774 nan 4.420 nan 0.000 0.298 204 P C -1.314 176.190 177.300 0.340 0.000 1.341 204 P CA -0.216 63.019 63.100 0.225 0.000 0.988 204 P CB 1.547 33.317 31.700 0.117 0.000 1.265 205 F N -0.588 119.483 119.950 0.201 0.000 2.769 205 F HA 0.501 5.029 4.527 0.000 0.000 0.313 205 F C -2.105 173.857 175.800 0.269 0.000 1.146 205 F CA -1.488 56.638 58.000 0.211 0.000 0.934 205 F CB 0.306 39.373 39.000 0.112 0.000 1.283 205 F HN 0.175 nan 8.300 nan 0.000 0.443 206 L N 2.891 124.349 121.223 0.391 0.000 2.371 206 L HA 0.550 4.890 4.340 -0.001 0.000 0.272 206 L C -0.511 176.376 176.870 0.029 0.000 1.124 206 L CA 0.108 54.998 54.840 0.084 0.000 0.816 206 L CB 0.773 42.876 42.059 0.074 0.000 1.129 206 L HN 0.844 nan 8.230 nan 0.000 0.448 207 I N 1.657 122.150 120.570 -0.129 0.000 3.518 207 I HA 0.140 4.309 4.170 -0.001 0.000 0.260 207 I C -0.299 175.858 176.117 0.066 0.000 1.148 207 I CA -0.234 61.059 61.300 -0.013 0.000 1.440 207 I CB 0.184 38.161 38.000 -0.039 0.000 1.485 207 I HN 0.615 nan 8.210 nan 0.000 0.456 208 H N 1.938 120.968 119.070 -0.067 0.000 2.638 208 H HA 0.347 4.902 4.556 -0.001 0.000 0.303 208 H C -0.276 175.036 175.328 -0.026 0.000 1.034 208 H CA -0.751 55.325 56.048 0.046 0.000 1.225 208 H CB 0.707 30.562 29.762 0.156 0.000 1.394 208 H HN 0.006 nan 8.280 nan 0.000 0.477 209 Q N 3.562 123.195 119.800 -0.279 0.000 2.274 209 Q HA 0.146 4.485 4.340 -0.001 0.000 0.280 209 Q C 1.014 176.647 176.000 -0.613 0.000 1.047 209 Q CA 0.986 56.630 55.803 -0.266 0.000 0.907 209 Q CB 0.852 29.546 28.738 -0.074 0.000 1.171 209 Q HN 0.902 nan 8.270 nan 0.000 0.381 210 E N 2.513 122.535 120.200 -0.297 0.000 2.051 210 E HA -0.005 4.344 4.350 -0.001 0.000 0.189 210 E C 0.471 176.999 176.600 -0.119 0.000 0.979 210 E CA 1.223 57.527 56.400 -0.160 0.000 0.803 210 E CB 0.146 29.872 29.700 0.044 0.000 0.761 210 E HN 0.505 nan 8.360 nan 0.000 0.451 211 S N 0.901 116.549 115.700 -0.087 0.000 2.718 211 S HA 0.464 4.934 4.470 -0.001 0.000 0.294 211 S C -1.382 173.173 174.600 -0.075 0.000 1.157 211 S CA -0.435 57.726 58.200 -0.064 0.000 1.121 211 S CB -0.145 63.042 63.200 -0.022 0.000 1.015 211 S HN 0.590 nan 8.310 nan 0.000 0.479 212 N N 2.126 120.757 118.700 -0.115 0.000 2.249 212 N HA 0.289 5.028 4.740 -0.001 0.000 0.296 212 N C 0.576 175.980 175.510 -0.176 0.000 1.051 212 N CA -0.987 51.982 53.050 -0.135 0.000 0.815 212 N CB 1.219 39.608 38.487 -0.163 0.000 1.487 212 N HN 0.130 nan 8.380 nan 0.000 0.475 213 V N 2.163 121.986 119.914 -0.151 0.000 2.527 213 V HA -0.223 3.897 4.120 -0.001 0.000 0.255 213 V C 1.360 177.296 176.094 -0.262 0.000 1.081 213 V CA 1.860 64.061 62.300 -0.165 0.000 1.092 213 V CB -0.719 31.019 31.823 -0.142 0.000 0.673 213 V HN 0.772 nan 8.190 nan 0.000 0.470 214 I N -1.410 118.956 120.570 -0.341 0.000 2.584 214 I HA -0.084 4.086 4.170 -0.001 0.000 0.255 214 I C 2.267 178.107 176.117 -0.462 0.000 1.145 214 I CA 0.774 61.754 61.300 -0.532 0.000 1.462 214 I CB -0.198 37.547 38.000 -0.427 0.000 1.102 214 I HN 0.158 nan 8.210 nan 0.000 0.433 215 V N 1.045 120.763 119.914 -0.326 0.000 2.343 215 V HA -0.256 3.863 4.120 -0.001 0.000 0.247 215 V C 2.601 178.695 176.094 -0.000 0.000 1.051 215 V CA 1.846 64.098 62.300 -0.080 0.000 1.036 215 V CB -0.731 31.037 31.823 -0.092 0.000 0.654 215 V HN 0.368 nan 8.190 nan 0.000 0.451 216 R N -0.138 120.322 120.500 -0.068 0.000 2.062 216 R HA -0.065 4.274 4.340 -0.001 0.000 0.231 216 R C 2.516 178.835 176.300 0.032 0.000 1.136 216 R CA 1.413 57.507 56.100 -0.009 0.000 0.948 216 R CB -0.711 29.578 30.300 -0.018 0.000 0.845 216 R HN 0.512 nan 8.270 nan 0.000 0.430 217 A N 0.809 123.570 122.820 -0.098 0.000 1.917 217 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 217 A C 2.011 179.648 177.584 0.088 0.000 1.182 217 A CA 1.466 53.440 52.037 -0.105 0.000 0.633 217 A CB -0.839 17.886 19.000 -0.458 0.000 0.819 217 A HN 0.320 nan 8.150 nan 0.000 0.448 218 F N -1.425 118.578 119.950 0.090 0.000 2.367 218 F HA -0.016 4.511 4.527 -0.001 0.000 0.298 218 F C 2.578 178.426 175.800 0.080 0.000 1.094 218 F CA 0.885 58.950 58.000 0.107 0.000 1.409 218 F CB -0.023 39.054 39.000 0.129 0.000 1.064 218 F HN 0.155 nan 8.300 nan 0.000 0.528 219 R N 0.461 121.098 120.500 0.229 0.000 2.119 219 R HA -0.099 4.240 4.340 -0.001 0.000 0.222 219 R C 0.988 177.301 176.300 0.021 0.000 1.088 219 R CA 1.493 57.652 56.100 0.098 0.000 0.984 219 R CB -0.033 30.306 30.300 0.065 0.000 0.884 219 R HN 0.169 nan 8.270 nan 0.000 0.447 220 D N -1.505 118.930 120.400 0.059 0.000 2.323 220 D HA -0.023 4.617 4.640 -0.001 0.000 0.218 220 D C 0.862 177.036 176.300 -0.210 0.000 0.973 220 D CA 0.968 54.896 54.000 -0.120 0.000 0.890 220 D CB 0.106 40.822 40.800 -0.141 0.000 1.011 220 D HN 0.218 nan 8.370 nan 0.000 0.499 221 Y N 0.231 120.526 120.300 -0.008 0.000 2.498 221 Y HA 0.324 4.874 4.550 -0.000 0.000 0.259 221 Y C 0.697 176.603 175.900 0.010 0.000 1.086 221 Y CA -0.214 57.879 58.100 -0.012 0.000 1.287 221 Y CB 0.446 38.891 38.460 -0.026 0.000 1.146 221 Y HN -0.230 nan 8.280 nan 0.000 0.523 222 L N 2.360 123.714 121.223 0.219 0.000 2.623 222 L HA 0.293 4.632 4.340 -0.001 0.000 0.281 222 L C 0.666 177.491 176.870 -0.075 0.000 1.150 222 L CA 0.108 55.052 54.840 0.173 0.000 0.965 222 L CB -0.483 41.710 42.059 0.223 0.000 1.303 222 L HN 0.144 nan 8.230 nan 0.000 0.467 223 R N 1.719 122.064 120.500 -0.258 0.000 2.668 223 R HA 0.585 4.924 4.340 -0.001 0.000 0.279 223 R C 0.871 176.948 176.300 -0.372 0.000 0.976 223 R CA 0.205 55.885 56.100 -0.699 0.000 0.978 223 R CB 0.391 30.401 30.300 -0.483 0.000 1.133 223 R HN 0.624 nan 8.270 nan 0.000 0.484 224 Q N 0.574 120.083 119.800 -0.485 0.000 2.308 224 Q HA -0.199 4.140 4.340 -0.001 0.000 0.209 224 Q C 1.369 177.348 176.000 -0.034 0.000 0.985 224 Q CA 2.324 58.070 55.803 -0.096 0.000 0.881 224 Q CB -0.685 28.023 28.738 -0.050 0.000 0.917 224 Q HN 0.963 nan 8.270 nan 0.000 0.443 225 D N -1.050 119.299 120.400 -0.084 0.000 2.378 225 D HA 0.047 4.686 4.640 -0.001 0.000 0.227 225 D C 0.368 176.678 176.300 0.016 0.000 1.012 225 D CA -0.019 53.961 54.000 -0.033 0.000 0.905 225 D CB -0.324 40.441 40.800 -0.058 0.000 0.895 225 D HN 0.646 nan 8.370 nan 0.000 0.532 226 I N 0.971 121.562 120.570 0.035 0.000 2.337 226 I HA 0.248 4.418 4.170 -0.001 0.000 0.291 226 I C 1.549 177.718 176.117 0.088 0.000 1.046 226 I CA -0.351 60.995 61.300 0.077 0.000 1.324 226 I CB 1.710 39.770 38.000 0.100 0.000 1.409 226 I HN 0.041 nan 8.210 nan 0.000 0.494 227 G N 5.787 114.637 108.800 0.083 0.000 2.486 227 G HA2 0.089 4.048 3.960 -0.001 0.000 0.210 227 G HA3 0.089 4.048 3.960 -0.001 0.000 0.210 227 G C 0.408 175.362 174.900 0.090 0.000 1.168 227 G CA 0.128 45.278 45.100 0.083 0.000 0.820 227 G HN 0.598 nan 8.290 nan 0.000 0.544 228 E N -0.808 119.446 120.200 0.091 0.000 2.317 228 E HA 0.558 4.907 4.350 -0.001 0.000 0.270 228 E C -1.452 175.202 176.600 0.090 0.000 0.885 228 E CA -0.628 55.828 56.400 0.094 0.000 0.760 228 E CB 2.698 32.460 29.700 0.103 0.000 1.227 228 E HN 0.048 nan 8.360 nan 0.000 0.434 229 I N 3.220 123.853 120.570 0.106 0.000 2.502 229 I HA 0.220 4.389 4.170 -0.001 0.000 0.276 229 I C -0.694 175.493 176.117 0.117 0.000 1.057 229 I CA -0.369 61.005 61.300 0.123 0.000 1.163 229 I CB 0.493 38.618 38.000 0.207 0.000 1.288 229 I HN 0.240 nan 8.210 nan 0.000 0.479 230 L N 6.444 127.714 121.223 0.078 0.000 2.319 230 L HA 0.500 4.839 4.340 -0.001 0.000 0.280 230 L C -0.280 176.651 176.870 0.102 0.000 1.099 230 L CA -0.193 54.711 54.840 0.107 0.000 0.828 230 L CB 0.682 42.799 42.059 0.096 0.000 1.150 230 L HN 0.467 nan 8.230 nan 0.000 0.442 231 I N 2.685 123.337 120.570 0.137 0.000 2.465 231 I HA 0.154 4.324 4.170 -0.001 0.000 0.291 231 I C 0.013 176.219 176.117 0.149 0.000 1.014 231 I CA -0.486 60.884 61.300 0.115 0.000 1.093 231 I CB 2.051 40.120 38.000 0.114 0.000 1.267 231 I HN 0.596 nan 8.210 nan 0.000 0.431 232 D N 3.218 123.692 120.400 0.124 0.000 2.370 232 D HA 0.031 4.670 4.640 -0.001 0.000 0.230 232 D C -0.070 176.292 176.300 0.103 0.000 1.143 232 D CA 0.068 54.176 54.000 0.180 0.000 0.834 232 D CB -0.033 40.879 40.800 0.186 0.000 0.944 232 D HN 0.318 nan 8.370 nan 0.000 0.504 233 N N 0.369 119.113 118.700 0.073 0.000 2.533 233 N HA 0.254 4.993 4.740 -0.001 0.000 0.289 233 N C -2.338 173.204 175.510 0.052 0.000 1.103 233 N CA -1.899 51.179 53.050 0.048 0.000 0.877 233 N CB 2.371 40.873 38.487 0.025 0.000 1.419 233 N HN -0.312 nan 8.380 nan 0.000 0.517 234 P HA -0.129 nan 4.420 nan 0.000 0.215 234 P C 1.291 178.616 177.300 0.042 0.000 1.153 234 P CA 2.150 65.275 63.100 0.041 0.000 0.853 234 P CB 0.333 32.050 31.700 0.028 0.000 0.788 235 K N -0.183 120.238 120.400 0.035 0.000 2.026 235 K HA -0.122 4.197 4.320 -0.001 0.000 0.208 235 K C 2.215 178.845 176.600 0.049 0.000 1.048 235 K CA 2.084 58.392 56.287 0.035 0.000 0.929 235 K CB -1.798 30.718 32.500 0.026 0.000 0.713 235 K HN 0.001 nan 8.250 nan 0.000 0.439 236 V N 0.731 120.677 119.914 0.053 0.000 2.453 236 V HA -0.132 3.988 4.120 -0.001 0.000 0.247 236 V C 2.471 178.628 176.094 0.105 0.000 1.048 236 V CA 1.534 63.877 62.300 0.071 0.000 1.049 236 V CB -0.212 31.638 31.823 0.045 0.000 0.672 236 V HN 0.571 nan 8.190 nan 0.000 0.457 237 L N -0.137 121.144 121.223 0.096 0.000 2.042 237 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 237 L C 2.704 179.642 176.870 0.112 0.000 1.076 237 L CA 1.812 56.721 54.840 0.115 0.000 0.749 237 L CB -0.359 41.758 42.059 0.095 0.000 0.893 237 L HN 0.307 nan 8.230 nan 0.000 0.432 238 E N -0.047 120.201 120.200 0.081 0.000 2.110 238 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 238 E C 2.309 178.947 176.600 0.063 0.000 0.988 238 E CA 1.385 57.821 56.400 0.059 0.000 0.804 238 E CB -0.358 29.364 29.700 0.037 0.000 0.745 238 E HN 0.560 nan 8.360 nan 0.000 0.458 239 L N 0.569 121.848 121.223 0.093 0.000 2.046 239 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 239 L C 2.530 179.562 176.870 0.269 0.000 1.077 239 L CA 1.228 56.139 54.840 0.119 0.000 0.747 239 L CB -0.452 41.726 42.059 0.198 0.000 0.896 239 L HN 0.067 nan 8.230 nan 0.000 0.432 240 A N -0.150 122.868 122.820 0.331 0.000 1.969 240 A HA -0.184 4.136 4.320 -0.001 0.000 0.218 240 A C 2.366 180.134 177.584 0.307 0.000 1.169 240 A CA 1.334 53.664 52.037 0.488 0.000 0.635 240 A CB -0.391 18.894 19.000 0.474 0.000 0.810 240 A HN 0.328 nan 8.150 nan 0.000 0.445 241 R N -0.701 119.891 120.500 0.154 0.000 2.066 241 R HA -0.128 4.212 4.340 -0.001 0.000 0.232 241 R C 2.466 178.788 176.300 0.036 0.000 1.131 241 R CA 1.636 57.775 56.100 0.064 0.000 0.955 241 R CB -0.407 29.918 30.300 0.043 0.000 0.851 241 R HN 0.656 nan 8.270 nan 0.000 0.432 242 Q N -0.433 119.367 119.800 0.001 0.000 2.152 242 Q HA -0.216 4.124 4.340 -0.001 0.000 0.206 242 Q C 1.768 177.735 176.000 -0.055 0.000 0.985 242 Q CA 1.800 57.559 55.803 -0.073 0.000 0.863 242 Q CB -0.180 28.453 28.738 -0.174 0.000 0.904 242 Q HN 0.587 nan 8.270 nan 0.000 0.422 243 H N -0.646 118.505 119.070 0.134 0.000 2.462 243 H HA 0.022 4.577 4.556 -0.001 0.000 0.292 243 H C 1.790 177.217 175.328 0.164 0.000 1.049 243 H CA 0.780 56.950 56.048 0.204 0.000 1.334 243 H CB 0.301 30.261 29.762 0.329 0.000 1.404 243 H HN 0.176 nan 8.280 nan 0.000 0.544 244 I N 0.000 120.648 120.570 0.130 0.000 2.333 244 I HA -0.153 4.017 4.170 -0.001 0.000 0.246 244 I C 2.525 178.652 176.117 0.018 0.000 1.106 244 I CA 0.766 62.049 61.300 -0.028 0.000 1.411 244 I CB -0.218 37.666 38.000 -0.193 0.000 1.082 244 I HN 0.302 nan 8.210 nan 0.000 0.420 245 A N 0.837 123.662 122.820 0.009 0.000 1.898 245 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 245 A C 2.511 180.087 177.584 -0.015 0.000 1.181 245 A CA 1.776 53.804 52.037 -0.015 0.000 0.620 245 A CB -0.741 18.245 19.000 -0.022 0.000 0.819 245 A HN 0.421 nan 8.150 nan 0.000 0.442 246 A N -0.746 122.086 122.820 0.021 0.000 1.902 246 A HA 0.017 4.337 4.320 -0.001 0.000 0.217 246 A C 1.664 179.258 177.584 0.016 0.000 1.181 246 A CA 1.447 53.490 52.037 0.010 0.000 0.623 246 A CB -0.516 18.528 19.000 0.075 0.000 0.818 246 A HN 0.395 nan 8.150 nan 0.000 0.443 247 L N 0.224 121.578 121.223 0.218 0.000 2.786 247 L HA 0.152 4.492 4.340 -0.001 0.000 0.250 247 L C 1.537 178.535 176.870 0.213 0.000 1.151 247 L CA 0.850 55.953 54.840 0.439 0.000 0.910 247 L CB -1.349 40.967 42.059 0.429 0.000 1.082 247 L HN 0.596 nan 8.230 nan 0.000 0.433 248 G N 0.069 108.873 108.800 0.006 0.000 2.338 248 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.296 248 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.296 248 G C 0.353 175.140 174.900 -0.188 0.000 1.040 248 G CA 0.558 45.602 45.100 -0.095 0.000 1.004 248 G HN 0.686 nan 8.290 nan 0.000 0.509 249 R N -0.001 120.407 120.500 -0.155 0.000 2.754 249 R HA 0.705 5.045 4.340 -0.001 0.000 0.255 249 R C -1.155 175.078 176.300 -0.112 0.000 1.723 249 R CA -0.094 55.861 56.100 -0.240 0.000 1.596 249 R CB 0.148 30.269 30.300 -0.299 0.000 1.424 249 R HN 0.267 nan 8.270 nan 0.000 0.662 250 P HA -0.192 nan 4.420 nan 0.000 0.220 250 P C 0.319 177.602 177.300 -0.029 0.000 1.148 250 P CA 1.411 64.478 63.100 -0.054 0.000 0.803 250 P CB 0.301 31.969 31.700 -0.054 0.000 0.782 251 D N -0.208 120.175 120.400 -0.028 0.000 2.309 251 D HA -0.184 4.456 4.640 -0.001 0.000 0.212 251 D C 1.705 178.032 176.300 0.045 0.000 0.968 251 D CA 1.015 55.023 54.000 0.013 0.000 0.882 251 D CB -1.606 39.208 40.800 0.024 0.000 0.918 251 D HN 0.284 nan 8.370 nan 0.000 0.503 252 F N 0.294 120.270 119.950 0.045 0.000 2.765 252 F HA 0.322 4.849 4.527 -0.001 0.000 0.302 252 F C 2.644 178.449 175.800 0.010 0.000 1.111 252 F CA 0.356 58.386 58.000 0.051 0.000 1.359 252 F CB -0.219 38.822 39.000 0.068 0.000 1.097 252 F HN 0.176 nan 8.300 nan 0.000 0.577 253 S N 0.240 115.941 115.700 0.001 0.000 2.406 253 S HA -0.140 4.329 4.470 -0.001 0.000 0.228 253 S C 2.506 177.118 174.600 0.019 0.000 1.020 253 S CA 1.885 60.084 58.200 -0.001 0.000 0.965 253 S CB -0.676 62.520 63.200 -0.006 0.000 0.798 253 S HN 0.781 nan 8.310 nan 0.000 0.488 254 S N 0.552 116.267 115.700 0.026 0.000 2.453 254 S HA 0.073 4.543 4.470 -0.001 0.000 0.231 254 S C 1.878 176.507 174.600 0.048 0.000 1.005 254 S CA 1.042 59.263 58.200 0.035 0.000 0.949 254 S CB -0.529 62.691 63.200 0.034 0.000 0.774 254 S HN 0.607 nan 8.310 nan 0.000 0.510 255 K N 1.403 121.835 120.400 0.053 0.000 2.243 255 K HA 0.432 4.752 4.320 -0.001 0.000 0.201 255 K C 0.888 177.535 176.600 0.078 0.000 1.051 255 K CA 0.615 56.943 56.287 0.068 0.000 0.970 255 K CB -0.810 31.735 32.500 0.076 0.000 0.755 255 K HN 0.648 nan 8.250 nan 0.000 0.465 256 I N 2.555 123.166 120.570 0.069 0.000 2.517 256 I HA 0.071 4.241 4.170 -0.001 0.000 0.285 256 I C -0.128 176.044 176.117 0.091 0.000 1.106 256 I CA 0.149 61.504 61.300 0.091 0.000 1.402 256 I CB 0.783 38.835 38.000 0.086 0.000 1.399 256 I HN 0.293 nan 8.210 nan 0.000 0.535 257 K N 6.188 126.654 120.400 0.109 0.000 2.375 257 K HA 0.479 4.799 4.320 -0.001 0.000 0.249 257 K C -1.086 175.590 176.600 0.126 0.000 0.942 257 K CA -1.130 55.221 56.287 0.108 0.000 0.806 257 K CB 2.750 35.319 32.500 0.115 0.000 1.227 257 K HN 0.260 nan 8.250 nan 0.000 0.430 258 L N 2.698 123.985 121.223 0.106 0.000 2.367 258 L HA 0.180 4.520 4.340 -0.001 0.000 0.275 258 L C -0.878 176.079 176.870 0.144 0.000 1.129 258 L CA -0.058 54.849 54.840 0.111 0.000 0.839 258 L CB 0.014 42.112 42.059 0.064 0.000 1.133 258 L HN 0.483 nan 8.230 nan 0.000 0.453 259 Y N 3.206 123.542 120.300 0.060 0.000 2.336 259 Y HA 0.309 4.859 4.550 -0.001 0.000 0.335 259 Y C 1.144 177.066 175.900 0.037 0.000 1.046 259 Y CA 0.498 58.636 58.100 0.063 0.000 1.198 259 Y CB 1.174 39.687 38.460 0.088 0.000 1.182 259 Y HN 0.846 nan 8.280 nan 0.000 0.502 260 T N 0.824 114.975 114.554 -0.672 0.000 2.955 260 T HA 0.290 4.640 4.350 -0.001 0.000 0.251 260 T C 1.020 175.366 174.700 -0.590 0.000 1.002 260 T CA 0.271 62.096 62.100 -0.458 0.000 0.970 260 T CB -0.493 68.227 68.868 -0.248 0.000 1.091 260 T HN 0.807 nan 8.240 nan 0.000 0.495 261 G N 0.931 109.080 108.800 -1.085 0.000 2.464 261 G HA2 0.350 4.310 3.960 -0.001 0.000 0.231 261 G HA3 0.350 4.310 3.960 -0.001 0.000 0.231 261 G C 0.971 175.754 174.900 -0.194 0.000 1.267 261 G CA 0.259 45.008 45.100 -0.585 0.000 0.863 261 G HN 0.525 nan 8.290 nan 0.000 0.559 262 E N 2.011 122.168 120.200 -0.071 0.000 2.072 262 E HA -0.022 4.328 4.350 -0.001 0.000 0.191 262 E C 1.502 178.153 176.600 0.085 0.000 0.985 262 E CA 0.693 57.098 56.400 0.008 0.000 0.801 262 E CB -0.357 29.340 29.700 -0.005 0.000 0.750 262 E HN 0.665 nan 8.360 nan 0.000 0.452 263 I N 2.990 123.623 120.570 0.106 0.000 2.752 263 I HA 0.040 4.210 4.170 -0.001 0.000 0.286 263 I C -2.016 174.258 176.117 0.262 0.000 1.180 263 I CA -1.542 59.853 61.300 0.159 0.000 1.404 263 I CB 0.724 38.820 38.000 0.161 0.000 1.389 263 I HN 0.200 nan 8.210 nan 0.000 0.549 264 P HA -0.094 nan 4.420 nan 0.000 0.266 264 P C 0.953 178.327 177.300 0.123 0.000 1.193 264 P CA 0.010 63.214 63.100 0.174 0.000 0.770 264 P CB 0.991 32.743 31.700 0.087 0.000 0.836 265 L N 1.974 123.168 121.223 -0.048 0.000 1.997 265 L HA -0.259 4.081 4.340 -0.001 0.000 0.216 265 L C 2.147 179.115 176.870 0.163 0.000 1.074 265 L CA 2.013 56.667 54.840 -0.309 0.000 0.763 265 L CB -0.490 41.416 42.059 -0.254 0.000 0.890 265 L HN 0.162 nan 8.230 nan 0.000 0.434 266 F N -0.178 119.737 119.950 -0.060 0.000 2.186 266 F HA -0.154 4.373 4.527 -0.001 0.000 0.299 266 F C 2.814 178.648 175.800 0.057 0.000 1.090 266 F CA 1.258 59.255 58.000 -0.006 0.000 1.307 266 F CB -1.094 37.890 39.000 -0.027 0.000 1.019 266 F HN 0.088 nan 8.300 nan 0.000 0.489 267 S N -1.679 114.174 115.700 0.254 0.000 2.383 267 S HA -0.209 4.260 4.470 -0.001 0.000 0.227 267 S C 2.077 176.780 174.600 0.172 0.000 1.026 267 S CA 0.947 59.251 58.200 0.174 0.000 0.981 267 S CB -0.635 62.652 63.200 0.144 0.000 0.818 267 S HN 0.505 nan 8.310 nan 0.000 0.472 268 H N -0.784 118.351 119.070 0.109 0.000 2.457 268 H HA -0.039 4.517 4.556 -0.001 0.000 0.294 268 H C 0.861 176.165 175.328 -0.040 0.000 1.064 268 H CA 1.147 57.228 56.048 0.055 0.000 1.330 268 H CB 0.015 29.834 29.762 0.095 0.000 1.395 268 H HN 0.431 nan 8.280 nan 0.000 0.541 269 Y N 0.936 121.172 120.300 -0.108 0.000 2.457 269 Y HA 0.057 4.607 4.550 -0.000 0.000 0.263 269 Y C 0.720 176.544 175.900 -0.127 0.000 1.164 269 Y CA 0.035 58.034 58.100 -0.169 0.000 1.274 269 Y CB 0.471 38.841 38.460 -0.150 0.000 1.097 269 Y HN 0.186 nan 8.280 nan 0.000 0.523 270 Q N -0.549 119.265 119.800 0.023 0.000 2.489 270 Q HA -0.244 4.095 4.340 -0.001 0.000 0.259 270 Q C 1.051 177.055 176.000 0.007 0.000 0.934 270 Q CA 1.463 57.270 55.803 0.007 0.000 1.131 270 Q CB -2.464 26.258 28.738 -0.027 0.000 1.472 270 Q HN 0.798 nan 8.270 nan 0.000 0.560 271 I N -4.431 116.134 120.570 -0.008 0.000 3.645 271 I HA 0.117 4.286 4.170 -0.001 0.000 0.300 271 I C 1.986 178.091 176.117 -0.021 0.000 1.260 271 I CA 0.889 62.146 61.300 -0.071 0.000 1.365 271 I CB -0.324 37.529 38.000 -0.246 0.000 1.077 271 I HN 0.048 nan 8.210 nan 0.000 0.439 272 E N 2.565 122.799 120.200 0.056 0.000 2.130 272 E HA -0.246 4.103 4.350 -0.001 0.000 0.196 272 E C 2.276 178.914 176.600 0.063 0.000 0.998 272 E CA 2.184 58.646 56.400 0.103 0.000 0.806 272 E CB -1.084 28.688 29.700 0.119 0.000 0.738 272 E HN 0.839 nan 8.360 nan 0.000 0.459 273 S N 0.290 116.015 115.700 0.042 0.000 2.357 273 S HA -0.213 4.256 4.470 -0.001 0.000 0.221 273 S C 2.257 176.883 174.600 0.043 0.000 1.031 273 S CA 1.254 59.474 58.200 0.033 0.000 0.982 273 S CB -0.232 62.983 63.200 0.024 0.000 0.853 273 S HN 0.680 nan 8.310 nan 0.000 0.458 274 Q N 0.791 120.611 119.800 0.033 0.000 2.224 274 Q HA 0.121 4.461 4.340 -0.001 0.000 0.203 274 Q C 2.178 178.212 176.000 0.057 0.000 0.970 274 Q CA 1.203 57.028 55.803 0.037 0.000 0.865 274 Q CB -0.531 28.216 28.738 0.014 0.000 0.922 274 Q HN 0.579 nan 8.270 nan 0.000 0.445 275 I N 1.366 121.970 120.570 0.058 0.000 2.208 275 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 275 I C 1.810 178.049 176.117 0.203 0.000 1.097 275 I CA 1.051 62.411 61.300 0.099 0.000 1.363 275 I CB -0.134 37.929 38.000 0.104 0.000 1.051 275 I HN 0.191 nan 8.210 nan 0.000 0.413 276 E N 0.215 120.515 120.200 0.167 0.000 2.482 276 E HA -0.092 4.258 4.350 -0.001 0.000 0.196 276 E C 2.090 178.877 176.600 0.312 0.000 1.047 276 E CA 1.061 57.576 56.400 0.192 0.000 0.869 276 E CB -0.283 29.406 29.700 -0.018 0.000 0.836 276 E HN 0.534 nan 8.360 nan 0.000 0.520 277 S N 0.662 116.485 115.700 0.205 0.000 2.489 277 S HA 0.109 4.579 4.470 -0.001 0.000 0.228 277 S C 2.076 176.765 174.600 0.148 0.000 0.995 277 S CA 0.491 58.785 58.200 0.156 0.000 0.934 277 S CB -0.013 63.236 63.200 0.081 0.000 0.771 277 S HN 0.203 nan 8.310 nan 0.000 0.522 278 A N 0.303 123.205 122.820 0.137 0.000 2.234 278 A HA 0.146 4.465 4.320 -0.001 0.000 0.216 278 A C 1.395 178.862 177.584 -0.196 0.000 1.167 278 A CA 0.934 52.930 52.037 -0.068 0.000 0.698 278 A CB -0.873 18.015 19.000 -0.187 0.000 0.779 278 A HN 0.639 nan 8.150 nan 0.000 0.475 279 F N -0.929 119.034 119.950 0.021 0.000 2.717 279 F HA 0.188 4.715 4.527 -0.000 0.000 0.295 279 F C 1.255 177.078 175.800 0.039 0.000 1.117 279 F CA -0.217 57.810 58.000 0.045 0.000 1.361 279 F CB -0.054 38.971 39.000 0.043 0.000 1.112 279 F HN 0.132 nan 8.300 nan 0.000 0.594 280 Q N 1.234 121.146 119.800 0.188 0.000 2.361 280 Q HA 0.010 4.350 4.340 -0.001 0.000 0.276 280 Q C 1.617 177.653 176.000 0.060 0.000 1.022 280 Q CA 0.059 55.925 55.803 0.104 0.000 0.898 280 Q CB 1.015 29.797 28.738 0.073 0.000 1.246 280 Q HN 0.243 nan 8.270 nan 0.000 0.410 281 R N 2.067 122.592 120.500 0.042 0.000 2.080 281 R HA -0.015 4.325 4.340 -0.001 0.000 0.222 281 R C 0.064 176.366 176.300 0.003 0.000 1.107 281 R CA 0.829 56.938 56.100 0.015 0.000 0.980 281 R CB 0.446 30.750 30.300 0.006 0.000 0.879 281 R HN 0.636 nan 8.270 nan 0.000 0.439 282 E N 0.351 120.555 120.200 0.007 0.000 2.183 282 E HA 0.303 4.653 4.350 -0.001 0.000 0.271 282 E C -1.660 174.943 176.600 0.006 0.000 0.919 282 E CA -0.670 55.731 56.400 0.001 0.000 0.781 282 E CB 2.040 31.740 29.700 -0.000 0.000 1.140 282 E HN -0.065 nan 8.360 nan 0.000 0.402 283 V N 5.117 125.031 119.914 -0.000 0.000 2.483 283 V HA 0.379 4.498 4.120 -0.001 0.000 0.297 283 V C 0.055 176.149 176.094 0.001 0.000 1.027 283 V CA -0.916 61.386 62.300 0.003 0.000 0.855 283 V CB 1.510 33.334 31.823 0.002 0.000 0.995 283 V HN 0.693 nan 8.190 nan 0.000 0.424 284 R N 3.618 124.120 120.500 0.003 0.000 2.643 284 R HA 0.472 4.811 4.340 -0.001 0.000 0.270 284 R C -0.680 175.621 176.300 0.002 0.000 1.061 284 R CA -0.257 55.844 56.100 0.002 0.000 1.107 284 R CB 0.822 31.124 30.300 0.003 0.000 0.999 284 R HN 0.536 nan 8.270 nan 0.000 0.460 285 L N 3.768 124.992 121.223 0.001 0.000 2.360 285 L HA 0.259 4.599 4.340 -0.001 0.000 0.271 285 L C -1.288 175.581 176.870 -0.001 0.000 1.057 285 L CA -2.049 52.791 54.840 0.000 0.000 0.803 285 L CB 1.101 43.161 42.059 0.002 0.000 1.207 285 L HN 0.311 nan 8.230 nan 0.000 0.445 286 P HA -0.150 nan 4.420 nan 0.000 0.217 286 P C 1.036 178.333 177.300 -0.004 0.000 1.151 286 P CA 1.203 64.300 63.100 -0.005 0.000 0.849 286 P CB 0.259 31.953 31.700 -0.009 0.000 0.787 287 S N -2.420 113.277 115.700 -0.005 0.000 2.631 287 S HA 0.318 4.788 4.470 -0.001 0.000 0.217 287 S C 1.510 176.110 174.600 0.001 0.000 0.958 287 S CA 0.677 58.875 58.200 -0.003 0.000 0.920 287 S CB -0.310 62.887 63.200 -0.005 0.000 0.776 287 S HN 0.369 nan 8.310 nan 0.000 0.517 288 G N 0.696 109.496 108.800 0.001 0.000 2.253 288 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.209 288 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.209 288 G C 0.446 175.348 174.900 0.003 0.000 0.997 288 G CA -0.291 44.811 45.100 0.003 0.000 0.640 288 G HN 0.740 nan 8.290 nan 0.000 0.496 289 G N -0.028 108.774 108.800 0.004 0.000 2.516 289 G HA2 0.727 4.686 3.960 -0.001 0.000 0.276 289 G HA3 0.727 4.686 3.960 -0.001 0.000 0.276 289 G C 0.314 175.215 174.900 0.002 0.000 1.390 289 G CA 1.102 46.205 45.100 0.005 0.000 1.050 289 G HN 1.871 nan 8.290 nan 0.000 0.519 290 S N -1.966 113.734 115.700 0.000 0.000 2.587 290 S HA 0.557 5.026 4.470 -0.001 0.000 0.269 290 S C -0.755 173.836 174.600 -0.014 0.000 1.154 290 S CA -0.780 57.417 58.200 -0.005 0.000 0.824 290 S CB 1.109 64.307 63.200 -0.005 0.000 1.118 290 S HN 1.307 nan 8.310 nan 0.000 0.462 291 I N -0.735 119.822 120.570 -0.021 0.000 2.493 291 I HA 0.910 5.080 4.170 -0.001 0.000 0.298 291 I C -1.160 174.937 176.117 -0.035 0.000 0.998 291 I CA -1.261 60.015 61.300 -0.040 0.000 1.137 291 I CB 1.827 39.796 38.000 -0.053 0.000 1.310 291 I HN 0.430 nan 8.210 nan 0.000 0.445 292 V N 6.667 126.555 119.914 -0.044 0.000 2.409 292 V HA 0.445 4.565 4.120 -0.001 0.000 0.291 292 V C -0.027 176.039 176.094 -0.047 0.000 1.020 292 V CA -0.348 61.931 62.300 -0.037 0.000 0.848 292 V CB 1.537 33.341 31.823 -0.031 0.000 0.990 292 V HN 0.560 nan 8.190 nan 0.000 0.430 293 I N 4.674 125.220 120.570 -0.040 0.000 2.328 293 I HA 0.436 4.606 4.170 -0.001 0.000 0.287 293 I C -0.554 175.540 176.117 -0.039 0.000 1.012 293 I CA -0.227 61.047 61.300 -0.044 0.000 1.195 293 I CB 1.089 39.064 38.000 -0.041 0.000 1.350 293 I HN 0.487 nan 8.210 nan 0.000 0.464 294 D N 4.784 125.158 120.400 -0.043 0.000 2.248 294 D HA 0.390 5.029 4.640 -0.001 0.000 0.246 294 D C -0.446 175.829 176.300 -0.041 0.000 1.027 294 D CA -0.210 53.765 54.000 -0.041 0.000 0.853 294 D CB 2.351 43.127 40.800 -0.040 0.000 1.243 294 D HN 0.483 nan 8.370 nan 0.000 0.462 295 S N 0.035 115.711 115.700 -0.041 0.000 2.472 295 S HA 0.735 5.205 4.470 -0.001 0.000 0.303 295 S C 0.182 174.760 174.600 -0.036 0.000 1.099 295 S CA -0.634 57.543 58.200 -0.037 0.000 1.077 295 S CB 1.827 65.006 63.200 -0.034 0.000 1.031 295 S HN 0.487 nan 8.310 nan 0.000 0.487 296 T N -0.210 114.325 114.554 -0.031 0.000 2.768 296 T HA 0.524 4.874 4.350 -0.001 0.000 0.268 296 T C 0.916 175.603 174.700 -0.022 0.000 0.969 296 T CA -0.409 61.674 62.100 -0.028 0.000 1.008 296 T CB 0.721 69.572 68.868 -0.029 0.000 1.371 296 T HN 0.540 nan 8.240 nan 0.000 0.587 297 E N 0.598 120.787 120.200 -0.019 0.000 2.017 297 E HA -0.021 4.328 4.350 -0.001 0.000 0.193 297 E C 2.199 178.791 176.600 -0.013 0.000 0.997 297 E CA 1.982 58.373 56.400 -0.014 0.000 0.804 297 E CB -0.863 28.829 29.700 -0.013 0.000 0.757 297 E HN 0.737 nan 8.360 nan 0.000 0.448 298 A N -0.660 122.150 122.820 -0.016 0.000 2.021 298 A HA 0.308 4.628 4.320 -0.001 0.000 0.216 298 A C 0.454 178.028 177.584 -0.016 0.000 1.163 298 A CA 0.991 53.019 52.037 -0.015 0.000 0.676 298 A CB -0.288 18.702 19.000 -0.017 0.000 0.818 298 A HN 0.313 nan 8.150 nan 0.000 0.453 299 L N -5.982 115.230 121.223 -0.020 0.000 2.892 299 L HA 0.659 4.999 4.340 -0.001 0.000 0.269 299 L C -0.892 175.962 176.870 -0.026 0.000 1.058 299 L CA -0.624 54.203 54.840 -0.022 0.000 0.923 299 L CB 1.271 43.316 42.059 -0.023 0.000 1.518 299 L HN -0.262 nan 8.230 nan 0.000 0.402 300 T N 0.898 115.435 114.554 -0.029 0.000 2.779 300 T HA 0.852 5.201 4.350 -0.001 0.000 0.280 300 T C -0.303 174.372 174.700 -0.041 0.000 0.987 300 T CA -0.017 62.062 62.100 -0.035 0.000 0.966 300 T CB 1.361 70.208 68.868 -0.035 0.000 0.933 300 T HN 0.930 nan 8.240 nan 0.000 0.442 301 A N 3.778 126.570 122.820 -0.046 0.000 2.324 301 A HA 0.842 5.161 4.320 -0.001 0.000 0.330 301 A C -0.487 177.055 177.584 -0.069 0.000 1.165 301 A CA -0.758 51.246 52.037 -0.056 0.000 0.813 301 A CB 0.432 19.401 19.000 -0.050 0.000 1.197 301 A HN 0.871 nan 8.150 nan 0.000 0.484 302 I N 2.069 122.582 120.570 -0.095 0.000 2.411 302 I HA 0.251 4.421 4.170 -0.001 0.000 0.284 302 I C -0.713 175.318 176.117 -0.143 0.000 1.012 302 I CA -0.454 60.774 61.300 -0.120 0.000 1.119 302 I CB 1.763 39.672 38.000 -0.150 0.000 1.261 302 I HN 0.692 nan 8.210 nan 0.000 0.448 303 D N 6.382 126.719 120.400 -0.104 0.000 2.340 303 D HA 0.640 5.280 4.640 -0.001 0.000 0.251 303 D C -0.828 175.414 176.300 -0.097 0.000 1.080 303 D CA -0.072 53.872 54.000 -0.093 0.000 0.971 303 D CB 1.371 42.138 40.800 -0.054 0.000 1.137 303 D HN 0.325 nan 8.370 nan 0.000 0.475 304 I N 2.507 123.032 120.570 -0.075 0.000 2.512 304 I HA 0.297 4.466 4.170 -0.001 0.000 0.287 304 I C -0.652 175.460 176.117 -0.009 0.000 1.069 304 I CA -0.901 60.370 61.300 -0.048 0.000 1.056 304 I CB 1.648 39.617 38.000 -0.053 0.000 1.229 304 I HN 0.232 nan 8.210 nan 0.000 0.429 305 N N 4.022 122.719 118.700 -0.005 0.000 2.430 305 N HA 0.522 5.262 4.740 -0.001 0.000 0.298 305 N C -0.514 175.003 175.510 0.012 0.000 1.130 305 N CA -0.560 52.492 53.050 0.005 0.000 0.894 305 N CB 2.181 40.668 38.487 -0.000 0.000 1.209 305 N HN 0.629 nan 8.380 nan 0.000 0.503 306 S N -0.649 115.060 115.700 0.015 0.000 2.758 306 S HA 0.691 5.161 4.470 -0.001 0.000 0.292 306 S C 1.025 175.631 174.600 0.011 0.000 1.131 306 S CA -0.401 57.809 58.200 0.016 0.000 0.997 306 S CB 1.337 64.550 63.200 0.021 0.000 1.111 306 S HN 0.601 nan 8.310 nan 0.000 0.552 307 A N 0.751 123.577 122.820 0.010 0.000 1.831 307 A HA 0.586 4.905 4.320 -0.001 0.000 0.213 307 A C 1.497 179.085 177.584 0.007 0.000 1.223 307 A CA 1.527 53.569 52.037 0.007 0.000 0.604 307 A CB -1.263 17.741 19.000 0.007 0.000 0.878 307 A HN 1.572 nan 8.150 nan 0.000 0.450 315 I N 2.303 122.871 120.570 -0.003 0.000 2.286 315 I HA -0.062 4.108 4.170 -0.001 0.000 0.245 315 I C 2.603 178.710 176.117 -0.016 0.000 1.104 315 I CA 1.495 62.791 61.300 -0.005 0.000 1.397 315 I CB -0.218 37.777 38.000 -0.008 0.000 1.072 315 I HN 0.606 nan 8.210 nan 0.000 0.417 316 E N 0.989 121.163 120.200 -0.042 0.000 2.072 316 E HA -0.289 4.061 4.350 -0.001 0.000 0.191 316 E C 1.984 178.540 176.600 -0.074 0.000 0.985 316 E CA 1.604 57.941 56.400 -0.105 0.000 0.801 316 E CB -0.637 28.970 29.700 -0.155 0.000 0.750 316 E HN 0.529 nan 8.360 nan 0.000 0.452 317 E N 0.217 120.415 120.200 -0.003 0.000 2.152 317 E HA -0.074 4.275 4.350 -0.001 0.000 0.192 317 E C 2.244 178.904 176.600 0.100 0.000 0.983 317 E CA 1.716 58.166 56.400 0.084 0.000 0.818 317 E CB -0.463 29.282 29.700 0.075 0.000 0.758 317 E HN 0.501 nan 8.360 nan 0.000 0.467 318 T N 0.192 114.777 114.554 0.052 0.000 2.701 318 T HA -0.064 4.286 4.350 -0.001 0.000 0.263 318 T C 1.860 176.592 174.700 0.053 0.000 1.040 318 T CA 1.511 63.636 62.100 0.043 0.000 1.147 318 T CB -0.605 68.278 68.868 0.026 0.000 0.865 318 T HN 0.329 nan 8.240 nan 0.000 0.426 319 A N 1.243 124.095 122.820 0.053 0.000 1.917 319 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 319 A C 2.035 179.693 177.584 0.124 0.000 1.182 319 A CA 1.690 53.768 52.037 0.069 0.000 0.633 319 A CB -0.997 18.026 19.000 0.038 0.000 0.819 319 A HN 0.454 nan 8.150 nan 0.000 0.448 320 F N 1.255 121.175 119.950 -0.051 0.000 2.098 320 F HA -0.120 4.406 4.527 -0.001 0.000 0.294 320 F C 2.196 178.006 175.800 0.016 0.000 1.107 320 F CA 1.704 59.692 58.000 -0.021 0.000 1.234 320 F CB -0.515 38.470 39.000 -0.025 0.000 1.002 320 F HN 0.368 nan 8.300 nan 0.000 0.472 321 N N -0.300 118.356 118.700 -0.073 0.000 2.120 321 N HA -0.179 4.561 4.740 -0.001 0.000 0.188 321 N C 1.640 177.083 175.510 -0.112 0.000 1.024 321 N CA 2.126 55.079 53.050 -0.161 0.000 0.852 321 N CB -0.305 38.156 38.487 -0.043 0.000 1.003 321 N HN 0.311 nan 8.380 nan 0.000 0.424 322 T N 1.477 116.012 114.554 -0.032 0.000 2.746 322 T HA -0.064 4.286 4.350 -0.001 0.000 0.267 322 T C 1.587 176.303 174.700 0.027 0.000 1.039 322 T CA 1.053 63.155 62.100 0.003 0.000 1.142 322 T CB -0.284 68.602 68.868 0.031 0.000 0.866 322 T HN 0.310 nan 8.240 nan 0.000 0.444 323 N N 1.192 119.919 118.700 0.045 0.000 2.166 323 N HA 0.026 4.765 4.740 -0.001 0.000 0.186 323 N C 1.864 177.396 175.510 0.036 0.000 1.019 323 N CA 0.784 53.919 53.050 0.141 0.000 0.856 323 N CB -0.505 38.053 38.487 0.117 0.000 0.993 323 N HN 0.368 nan 8.380 nan 0.000 0.426 324 L N 1.231 122.361 121.223 -0.156 0.000 2.027 324 L HA -0.111 4.228 4.340 -0.001 0.000 0.206 324 L C 2.146 178.973 176.870 -0.071 0.000 1.074 324 L CA 1.166 55.895 54.840 -0.187 0.000 0.745 324 L CB -0.449 41.398 42.059 -0.354 0.000 0.898 324 L HN 0.158 nan 8.230 nan 0.000 0.433 325 E N 0.334 120.499 120.200 -0.059 0.000 2.118 325 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 325 E C 2.296 178.906 176.600 0.017 0.000 0.992 325 E CA 1.203 57.590 56.400 -0.022 0.000 0.804 325 E CB -0.169 29.517 29.700 -0.022 0.000 0.741 325 E HN 0.517 nan 8.360 nan 0.000 0.458 326 A N 1.651 124.505 122.820 0.057 0.000 1.877 326 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 326 A C 2.444 180.101 177.584 0.122 0.000 1.186 326 A CA 1.677 53.765 52.037 0.085 0.000 0.620 326 A CB -0.664 18.411 19.000 0.124 0.000 0.822 326 A HN 0.292 nan 8.150 nan 0.000 0.443 327 A N 0.113 123.058 122.820 0.209 0.000 1.917 327 A HA -0.249 4.071 4.320 -0.001 0.000 0.219 327 A C 1.805 179.441 177.584 0.086 0.000 1.182 327 A CA 2.100 54.257 52.037 0.200 0.000 0.633 327 A CB -0.706 18.376 19.000 0.136 0.000 0.819 327 A HN 0.479 nan 8.150 nan 0.000 0.448 328 D N -0.829 119.596 120.400 0.042 0.000 2.092 328 D HA -0.145 4.494 4.640 -0.001 0.000 0.193 328 D C 1.975 178.287 176.300 0.020 0.000 0.994 328 D CA 1.757 55.767 54.000 0.017 0.000 0.828 328 D CB -0.304 40.494 40.800 -0.003 0.000 0.963 328 D HN 0.543 nan 8.370 nan 0.000 0.450 329 E N 0.429 120.641 120.200 0.020 0.000 2.107 329 E HA -0.054 4.296 4.350 -0.001 0.000 0.191 329 E C 2.184 178.790 176.600 0.009 0.000 0.982 329 E CA 0.435 56.843 56.400 0.013 0.000 0.809 329 E CB -0.339 29.365 29.700 0.007 0.000 0.756 329 E HN 0.274 nan 8.360 nan 0.000 0.459 330 I N 0.510 121.087 120.570 0.011 0.000 2.163 330 I HA -0.344 3.826 4.170 -0.001 0.000 0.243 330 I C 2.361 178.483 176.117 0.008 0.000 1.085 330 I CA 1.265 62.563 61.300 -0.002 0.000 1.347 330 I CB -0.490 37.505 38.000 -0.008 0.000 1.044 330 I HN 0.190 nan 8.210 nan 0.000 0.408 331 A N 0.651 123.485 122.820 0.024 0.000 1.869 331 A HA -0.310 4.009 4.320 -0.001 0.000 0.218 331 A C 2.454 180.050 177.584 0.020 0.000 1.203 331 A CA 2.370 54.420 52.037 0.023 0.000 0.638 331 A CB -0.773 18.242 19.000 0.026 0.000 0.831 331 A HN 0.408 nan 8.150 nan 0.000 0.450 332 R N -1.391 119.124 120.500 0.024 0.000 2.193 332 R HA -0.074 4.266 4.340 -0.001 0.000 0.213 332 R C 2.148 178.459 176.300 0.018 0.000 1.055 332 R CA 0.928 57.048 56.100 0.034 0.000 0.995 332 R CB -0.145 30.182 30.300 0.046 0.000 0.893 332 R HN 0.512 nan 8.270 nan 0.000 0.459 333 Q N 0.667 120.471 119.800 0.006 0.000 2.119 333 Q HA -0.130 4.210 4.340 -0.001 0.000 0.201 333 Q C 2.166 178.155 176.000 -0.018 0.000 0.972 333 Q CA 1.129 56.926 55.803 -0.009 0.000 0.847 333 Q CB -0.138 28.590 28.738 -0.015 0.000 0.903 333 Q HN 0.408 nan 8.270 nan 0.000 0.433 334 L N 0.055 121.271 121.223 -0.011 0.000 2.127 334 L HA -0.216 4.124 4.340 -0.001 0.000 0.211 334 L C 2.609 179.471 176.870 -0.013 0.000 1.089 334 L CA 1.221 56.052 54.840 -0.014 0.000 0.757 334 L CB -0.216 41.840 42.059 -0.005 0.000 0.899 334 L HN 0.178 nan 8.230 nan 0.000 0.434 335 R N -0.273 120.225 120.500 -0.002 0.000 2.048 335 R HA -0.024 4.316 4.340 -0.001 0.000 0.224 335 R C 2.282 178.575 176.300 -0.011 0.000 1.163 335 R CA 0.937 57.038 56.100 0.002 0.000 0.956 335 R CB -0.429 29.884 30.300 0.022 0.000 0.849 335 R HN 0.246 nan 8.270 nan 0.000 0.435 336 L N 0.434 121.649 121.223 -0.014 0.000 2.079 336 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 336 L C 2.528 179.361 176.870 -0.062 0.000 1.081 336 L CA 1.483 56.305 54.840 -0.029 0.000 0.752 336 L CB -0.417 41.630 42.059 -0.020 0.000 0.896 336 L HN 0.174 nan 8.230 nan 0.000 0.433 337 R N -0.567 119.890 120.500 -0.073 0.000 2.119 337 R HA -0.092 4.248 4.340 -0.001 0.000 0.222 337 R C 0.408 176.649 176.300 -0.098 0.000 1.088 337 R CA 0.538 56.568 56.100 -0.118 0.000 0.984 337 R CB -0.068 30.169 30.300 -0.105 0.000 0.884 337 R HN 0.203 nan 8.270 nan 0.000 0.447 338 D N 0.686 121.051 120.400 -0.058 0.000 2.716 338 D HA -0.171 4.468 4.640 -0.001 0.000 0.239 338 D C -1.084 175.190 176.300 -0.042 0.000 1.125 338 D CA 0.426 54.400 54.000 -0.042 0.000 0.681 338 D CB -0.930 39.845 40.800 -0.041 0.000 1.070 338 D HN 0.156 nan 8.370 nan 0.000 0.432 339 L N 0.738 121.937 121.223 -0.040 0.000 2.418 339 L HA 0.404 4.744 4.340 -0.001 0.000 0.274 339 L C 1.650 178.506 176.870 -0.023 0.000 1.135 339 L CA 0.545 55.364 54.840 -0.035 0.000 0.870 339 L CB 1.106 43.144 42.059 -0.036 0.000 1.154 339 L HN 0.198 nan 8.230 nan 0.000 0.462 340 G N 1.422 110.210 108.800 -0.020 0.000 2.509 340 G HA2 0.681 4.641 3.960 -0.001 0.000 0.328 340 G HA3 0.681 4.641 3.960 -0.001 0.000 0.328 340 G C 0.008 174.900 174.900 -0.012 0.000 1.194 340 G CA 0.037 45.129 45.100 -0.014 0.000 0.967 340 G HN 0.937 nan 8.290 nan 0.000 0.488 341 G N -1.132 107.663 108.800 -0.009 0.000 2.542 341 G HA2 0.038 3.997 3.960 -0.001 0.000 0.235 341 G HA3 0.038 3.997 3.960 -0.001 0.000 0.235 341 G C -0.591 174.304 174.900 -0.009 0.000 1.286 341 G CA -0.224 44.871 45.100 -0.008 0.000 0.904 341 G HN 1.047 nan 8.290 nan 0.000 0.577 342 L N 0.486 121.703 121.223 -0.009 0.000 2.331 342 L HA 0.700 5.039 4.340 -0.001 0.000 0.278 342 L C 0.579 177.441 176.870 -0.014 0.000 1.106 342 L CA 0.301 55.135 54.840 -0.009 0.000 0.824 342 L CB 1.021 43.075 42.059 -0.009 0.000 1.142 342 L HN 0.497 nan 8.230 nan 0.000 0.443 343 I N 3.540 124.103 120.570 -0.012 0.000 2.499 343 I HA 0.453 4.623 4.170 -0.001 0.000 0.288 343 I C -0.878 175.228 176.117 -0.018 0.000 1.048 343 I CA -0.603 60.685 61.300 -0.020 0.000 1.062 343 I CB 2.162 40.150 38.000 -0.021 0.000 1.238 343 I HN 0.101 nan 8.210 nan 0.000 0.426 344 V N 6.890 126.786 119.914 -0.030 0.000 2.495 344 V HA 0.540 4.660 4.120 -0.001 0.000 0.298 344 V C -0.189 175.865 176.094 -0.067 0.000 1.031 344 V CA -0.507 61.776 62.300 -0.029 0.000 0.871 344 V CB 2.024 33.833 31.823 -0.025 0.000 0.988 344 V HN 0.462 nan 8.190 nan 0.000 0.432 345 I N 3.105 123.626 120.570 -0.082 0.000 2.436 345 I HA 0.385 4.554 4.170 -0.001 0.000 0.289 345 I C -0.792 175.207 176.117 -0.196 0.000 1.010 345 I CA -0.383 60.780 61.300 -0.228 0.000 1.098 345 I CB 2.008 39.752 38.000 -0.427 0.000 1.266 345 I HN 0.541 nan 8.210 nan 0.000 0.434 346 D N 6.582 126.858 120.400 -0.206 0.000 2.518 346 D HA 0.301 4.941 4.640 -0.001 0.000 0.230 346 D C -0.524 175.711 176.300 -0.108 0.000 1.138 346 D CA -0.298 53.652 54.000 -0.083 0.000 0.964 346 D CB 0.182 40.961 40.800 -0.035 0.000 1.011 346 D HN 0.060 nan 8.370 nan 0.000 0.517 347 F N 2.140 122.112 119.950 0.037 0.000 2.553 347 F HA 0.174 4.701 4.527 -0.001 0.000 0.356 347 F C 1.401 177.225 175.800 0.040 0.000 1.142 347 F CA -0.342 57.681 58.000 0.038 0.000 1.322 347 F CB 0.359 39.389 39.000 0.050 0.000 1.126 347 F HN 0.181 nan 8.300 nan 0.000 0.599 348 I N 1.992 122.701 120.570 0.232 0.000 2.845 348 I HA -0.141 4.029 4.170 -0.001 0.000 0.296 348 I C 0.413 176.617 176.117 0.144 0.000 1.216 348 I CA 0.189 61.575 61.300 0.144 0.000 1.438 348 I CB -0.033 38.033 38.000 0.110 0.000 1.342 348 I HN 0.513 nan 8.210 nan 0.000 0.577 349 D N 6.903 127.363 120.400 0.100 0.000 2.533 349 D HA 0.110 4.749 4.640 -0.001 0.000 0.236 349 D C -0.597 175.737 176.300 0.056 0.000 1.137 349 D CA 0.864 54.911 54.000 0.079 0.000 0.867 349 D CB 0.446 41.278 40.800 0.054 0.000 1.170 349 D HN 0.252 nan 8.370 nan 0.000 0.474 350 M N 2.284 121.915 119.600 0.051 0.000 2.197 350 M HA 0.181 4.661 4.480 -0.001 0.000 0.301 350 M C 1.154 177.458 176.300 0.007 0.000 0.987 350 M CA -0.654 54.654 55.300 0.013 0.000 0.921 350 M CB 2.186 34.820 32.600 0.056 0.000 1.569 350 M HN 0.412 nan 8.290 nan 0.000 0.431 351 T N -0.989 113.550 114.554 -0.025 0.000 2.896 351 T HA 0.138 4.488 4.350 -0.001 0.000 0.263 351 T C -1.586 173.128 174.700 0.025 0.000 1.050 351 T CA 0.299 62.395 62.100 -0.007 0.000 1.140 351 T CB -1.443 67.413 68.868 -0.020 0.000 0.877 351 T HN 0.360 nan 8.240 nan 0.000 0.457 352 P HA 0.438 nan 4.420 nan 0.000 0.280 352 P C 0.918 178.266 177.300 0.080 0.000 1.244 352 P CA -0.446 62.740 63.100 0.144 0.000 0.784 352 P CB 1.432 33.392 31.700 0.432 0.000 0.913 353 V N 3.738 123.650 119.914 -0.004 0.000 2.343 353 V HA -0.276 3.844 4.120 -0.001 0.000 0.247 353 V C 2.472 178.532 176.094 -0.056 0.000 1.051 353 V CA 2.386 64.670 62.300 -0.027 0.000 1.036 353 V CB -0.929 30.868 31.823 -0.043 0.000 0.654 353 V HN 0.666 nan 8.190 nan 0.000 0.451 354 R N -0.727 119.689 120.500 -0.140 0.000 2.148 354 R HA -0.150 4.189 4.340 -0.001 0.000 0.227 354 R C 2.098 178.251 176.300 -0.246 0.000 1.103 354 R CA 1.706 57.686 56.100 -0.199 0.000 0.983 354 R CB -0.800 29.341 30.300 -0.265 0.000 0.874 354 R HN 0.536 nan 8.270 nan 0.000 0.451 355 H N 1.123 120.070 119.070 -0.205 0.000 2.421 355 H HA -0.080 4.476 4.556 -0.001 0.000 0.298 355 H C 1.798 177.151 175.328 0.040 0.000 1.087 355 H CA 1.849 57.750 56.048 -0.245 0.000 1.330 355 H CB 0.036 29.595 29.762 -0.338 0.000 1.388 355 H HN 0.505 nan 8.280 nan 0.000 0.526 356 Q N 0.011 119.867 119.800 0.093 0.000 2.049 356 Q HA -0.083 4.256 4.340 -0.001 0.000 0.198 356 Q C 2.901 178.912 176.000 0.018 0.000 0.971 356 Q CA 1.526 57.354 55.803 0.041 0.000 0.833 356 Q CB -0.086 28.672 28.738 0.033 0.000 0.896 356 Q HN 0.459 nan 8.270 nan 0.000 0.434 357 R N 0.798 121.310 120.500 0.019 0.000 2.120 357 R HA 0.037 4.376 4.340 -0.001 0.000 0.234 357 R C 2.115 178.431 176.300 0.025 0.000 1.123 357 R CA 1.563 57.678 56.100 0.025 0.000 0.975 357 R CB -1.446 28.858 30.300 0.007 0.000 0.866 357 R HN 0.392 nan 8.270 nan 0.000 0.446 358 A N 0.156 123.011 122.820 0.058 0.000 1.929 358 A HA 0.095 4.415 4.320 -0.001 0.000 0.216 358 A C 2.486 180.112 177.584 0.070 0.000 1.176 358 A CA 1.507 53.615 52.037 0.118 0.000 0.628 358 A CB -0.162 19.016 19.000 0.296 0.000 0.816 358 A HN 0.329 nan 8.150 nan 0.000 0.444 359 V N -0.060 119.872 119.914 0.031 0.000 2.719 359 V HA -0.173 3.946 4.120 -0.001 0.000 0.252 359 V C 2.281 178.241 176.094 -0.225 0.000 1.065 359 V CA 1.845 64.039 62.300 -0.177 0.000 1.086 359 V CB -0.642 30.953 31.823 -0.379 0.000 0.700 359 V HN 0.601 nan 8.190 nan 0.000 0.467 360 E N 0.400 120.518 120.200 -0.137 0.000 2.028 360 E HA -0.195 4.154 4.350 -0.001 0.000 0.191 360 E C 2.118 178.692 176.600 -0.044 0.000 0.988 360 E CA 1.312 57.665 56.400 -0.079 0.000 0.799 360 E CB -0.195 29.496 29.700 -0.016 0.000 0.755 360 E HN 0.537 nan 8.360 nan 0.000 0.447 361 N N 0.859 119.544 118.700 -0.026 0.000 2.104 361 N HA -0.180 4.560 4.740 -0.001 0.000 0.190 361 N C 1.766 177.263 175.510 -0.022 0.000 1.024 361 N CA 0.936 53.976 53.050 -0.017 0.000 0.853 361 N CB -0.257 38.227 38.487 -0.005 0.000 1.008 361 N HN 0.063 nan 8.380 nan 0.000 0.424 362 R N 0.642 121.123 120.500 -0.032 0.000 2.113 362 R HA -0.086 4.254 4.340 -0.001 0.000 0.231 362 R C 2.113 178.408 176.300 -0.008 0.000 1.129 362 R CA 1.175 57.258 56.100 -0.029 0.000 0.915 362 R CB -0.823 29.446 30.300 -0.052 0.000 0.837 362 R HN 0.096 nan 8.270 nan 0.000 0.430 363 L N 1.234 122.464 121.223 0.011 0.000 2.357 363 L HA -0.198 4.141 4.340 -0.001 0.000 0.220 363 L C 1.825 178.707 176.870 0.020 0.000 1.123 363 L CA 1.742 56.611 54.840 0.049 0.000 0.782 363 L CB -0.199 41.931 42.059 0.119 0.000 0.910 363 L HN 0.165 nan 8.230 nan 0.000 0.442 364 R N -1.526 118.973 120.500 -0.002 0.000 2.200 364 R HA 0.003 4.343 4.340 -0.001 0.000 0.208 364 R C 1.848 178.139 176.300 -0.016 0.000 1.033 364 R CA 0.671 56.763 56.100 -0.013 0.000 1.000 364 R CB 0.013 30.299 30.300 -0.024 0.000 0.906 364 R HN 0.384 nan 8.270 nan 0.000 0.462 365 E N 0.381 120.572 120.200 -0.015 0.000 2.162 365 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 365 E C 1.957 178.548 176.600 -0.016 0.000 0.953 365 E CA 0.607 56.995 56.400 -0.020 0.000 0.849 365 E CB 0.129 29.815 29.700 -0.023 0.000 0.810 365 E HN 0.192 nan 8.360 nan 0.000 0.470 366 A N 1.461 124.276 122.820 -0.008 0.000 1.958 366 A HA -0.187 4.132 4.320 -0.001 0.000 0.221 366 A C 2.302 179.888 177.584 0.004 0.000 1.178 366 A CA 2.121 54.157 52.037 -0.001 0.000 0.642 366 A CB -0.723 18.284 19.000 0.011 0.000 0.816 366 A HN 0.199 nan 8.150 nan 0.000 0.453 367 V N -2.500 117.417 119.914 0.004 0.000 3.649 367 V HA 0.101 4.221 4.120 -0.001 0.000 0.275 367 V C 1.985 178.077 176.094 -0.003 0.000 1.281 367 V CA 1.103 63.406 62.300 0.006 0.000 1.143 367 V CB -0.920 30.908 31.823 0.009 0.000 0.892 367 V HN 0.600 nan 8.190 nan 0.000 0.441 368 R N 2.261 122.752 120.500 -0.015 0.000 2.103 368 R HA -0.274 4.066 4.340 -0.001 0.000 0.242 368 R C 2.243 178.524 176.300 -0.031 0.000 1.142 368 R CA 2.605 58.686 56.100 -0.031 0.000 0.960 368 R CB -0.284 29.991 30.300 -0.042 0.000 0.858 368 R HN 0.820 nan 8.270 nan 0.000 0.439 369 Q N 0.029 119.822 119.800 -0.013 0.000 2.432 369 Q HA 0.041 4.381 4.340 -0.001 0.000 0.205 369 Q C -0.075 175.945 176.000 0.034 0.000 0.945 369 Q CA 0.243 56.051 55.803 0.007 0.000 0.924 369 Q CB 0.036 28.783 28.738 0.014 0.000 1.016 369 Q HN 0.130 nan 8.270 nan 0.000 0.503 370 D N 1.216 121.631 120.400 0.024 0.000 2.424 370 D HA 0.015 4.654 4.640 -0.001 0.000 0.244 370 D C 0.452 176.771 176.300 0.032 0.000 1.134 370 D CA 0.089 54.102 54.000 0.022 0.000 0.881 370 D CB 0.852 41.661 40.800 0.015 0.000 1.191 370 D HN 0.149 nan 8.370 nan 0.000 0.445 371 R N 1.948 122.456 120.500 0.013 0.000 2.148 371 R HA 0.060 4.400 4.340 -0.001 0.000 0.223 371 R C 0.602 176.917 176.300 0.026 0.000 1.088 371 R CA 0.306 56.422 56.100 0.026 0.000 0.985 371 R CB 0.050 30.311 30.300 -0.064 0.000 0.880 371 R HN 0.434 nan 8.270 nan 0.000 0.451 372 A N 1.284 124.110 122.820 0.010 0.000 2.386 372 A HA 0.414 4.734 4.320 -0.001 0.000 0.248 372 A C 0.241 177.832 177.584 0.012 0.000 1.082 372 A CA -0.114 51.927 52.037 0.008 0.000 0.789 372 A CB 0.104 19.105 19.000 0.002 0.000 1.025 372 A HN 0.466 nan 8.150 nan 0.000 0.490 373 R N 1.281 121.787 120.500 0.010 0.000 2.351 373 R HA 0.507 4.846 4.340 -0.001 0.000 0.318 373 R C -0.573 175.729 176.300 0.003 0.000 1.055 373 R CA 0.409 56.514 56.100 0.008 0.000 0.968 373 R CB -0.709 29.595 30.300 0.007 0.000 0.974 373 R HN 0.667 nan 8.270 nan 0.000 0.439 374 I N 2.249 122.819 120.570 0.000 0.000 2.465 374 I HA 0.264 4.434 4.170 -0.001 0.000 0.291 374 I C -0.142 175.972 176.117 -0.007 0.000 1.014 374 I CA -0.631 60.668 61.300 -0.002 0.000 1.093 374 I CB 2.438 40.437 38.000 -0.000 0.000 1.267 374 I HN 0.674 nan 8.210 nan 0.000 0.431 375 Q N 6.578 126.374 119.800 -0.007 0.000 2.331 375 Q HA 0.657 4.996 4.340 -0.001 0.000 0.267 375 Q C -1.220 174.771 176.000 -0.015 0.000 1.006 375 Q CA -0.590 55.206 55.803 -0.013 0.000 0.818 375 Q CB 3.086 31.818 28.738 -0.010 0.000 1.276 375 Q HN 0.520 nan 8.270 nan 0.000 0.450 376 I N 1.710 122.261 120.570 -0.030 0.000 2.436 376 I HA 0.285 4.454 4.170 -0.001 0.000 0.289 376 I C 0.221 176.287 176.117 -0.085 0.000 1.010 376 I CA -0.426 60.854 61.300 -0.033 0.000 1.098 376 I CB 1.981 39.967 38.000 -0.023 0.000 1.266 376 I HN 0.629 nan 8.210 nan 0.000 0.434 377 S N 4.784 120.445 115.700 -0.065 0.000 2.719 377 S HA 0.504 4.974 4.470 -0.001 0.000 0.285 377 S C 0.090 174.603 174.600 -0.145 0.000 1.137 377 S CA -0.706 57.425 58.200 -0.116 0.000 1.012 377 S CB 0.836 64.036 63.200 -0.001 0.000 1.134 377 S HN 0.483 nan 8.310 nan 0.000 0.544 378 H N -0.379 118.718 119.070 0.045 0.000 2.581 378 H HA 0.341 4.897 4.556 -0.001 0.000 0.369 378 H C -0.037 175.332 175.328 0.067 0.000 1.351 378 H CA -0.246 55.828 56.048 0.043 0.000 1.434 378 H CB 0.281 30.059 29.762 0.028 0.000 1.558 378 H HN 0.502 nan 8.280 nan 0.000 0.608 379 I N 2.051 122.744 120.570 0.206 0.000 2.436 379 I HA -0.052 4.118 4.170 -0.001 0.000 0.289 379 I C 0.947 177.152 176.117 0.147 0.000 1.083 379 I CA -0.123 61.278 61.300 0.168 0.000 1.372 379 I CB 0.359 38.437 38.000 0.130 0.000 1.408 379 I HN 0.455 nan 8.210 nan 0.000 0.516 380 S N 6.363 122.159 115.700 0.160 0.000 2.600 380 S HA 0.162 4.631 4.470 -0.001 0.000 0.265 380 S C 1.291 175.943 174.600 0.088 0.000 1.325 380 S CA -0.810 57.479 58.200 0.148 0.000 1.002 380 S CB 0.876 64.215 63.200 0.231 0.000 0.921 380 S HN 0.818 nan 8.310 nan 0.000 0.554 381 R N -0.338 120.142 120.500 -0.034 0.000 2.303 381 R HA -0.058 4.281 4.340 -0.001 0.000 0.225 381 R C 0.526 176.644 176.300 -0.303 0.000 1.114 381 R CA 1.385 57.359 56.100 -0.209 0.000 1.007 381 R CB -0.788 29.310 30.300 -0.336 0.000 0.861 381 R HN 0.652 nan 8.270 nan 0.000 0.471 382 F N 0.480 120.453 119.950 0.037 0.000 2.765 382 F HA 0.345 4.872 4.527 -0.001 0.000 0.302 382 F C 1.572 177.401 175.800 0.048 0.000 1.111 382 F CA 0.502 58.523 58.000 0.036 0.000 1.359 382 F CB 0.805 39.823 39.000 0.030 0.000 1.097 382 F HN 0.294 nan 8.300 nan 0.000 0.577 383 G N 1.035 109.950 108.800 0.192 0.000 2.132 383 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.234 383 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.234 383 G C -0.071 174.950 174.900 0.202 0.000 0.989 383 G CA -0.332 44.872 45.100 0.173 0.000 0.676 383 G HN 0.249 nan 8.290 nan 0.000 0.522 384 L N -0.041 121.305 121.223 0.207 0.000 2.309 384 L HA 0.757 5.097 4.340 -0.001 0.000 0.282 384 L C 0.039 177.018 176.870 0.181 0.000 1.036 384 L CA -1.209 53.732 54.840 0.169 0.000 0.806 384 L CB 1.708 43.844 42.059 0.127 0.000 1.220 384 L HN 0.119 nan 8.230 nan 0.000 0.429 385 L N 3.331 124.663 121.223 0.182 0.000 2.298 385 L HA 0.385 4.725 4.340 -0.001 0.000 0.284 385 L C -0.395 176.536 176.870 0.102 0.000 1.013 385 L CA 0.053 55.003 54.840 0.183 0.000 0.824 385 L CB 1.315 43.570 42.059 0.327 0.000 1.221 385 L HN 0.498 nan 8.230 nan 0.000 0.418 386 E N 6.510 126.757 120.200 0.079 0.000 2.249 386 E HA 0.599 4.949 4.350 -0.001 0.000 0.280 386 E C -0.647 175.974 176.600 0.034 0.000 1.016 386 E CA -0.386 56.040 56.400 0.044 0.000 0.830 386 E CB 1.576 31.299 29.700 0.039 0.000 1.081 386 E HN 0.700 nan 8.360 nan 0.000 0.395 387 M N -0.465 119.148 119.600 0.020 0.000 2.575 387 M HA 0.611 5.090 4.480 -0.001 0.000 0.284 387 M C -1.076 175.227 176.300 0.004 0.000 1.253 387 M CA -0.918 54.390 55.300 0.013 0.000 0.861 387 M CB 2.314 34.927 32.600 0.020 0.000 1.733 387 M HN 0.363 nan 8.290 nan 0.000 0.462 388 S N 0.784 116.485 115.700 0.001 0.000 2.536 388 S HA 0.795 5.264 4.470 -0.001 0.000 0.287 388 S C -1.149 173.450 174.600 -0.002 0.000 1.101 388 S CA -0.894 57.305 58.200 -0.001 0.000 0.950 388 S CB 2.389 65.588 63.200 -0.001 0.000 1.056 388 S HN 0.988 nan 8.310 nan 0.000 0.481 389 R N 1.005 121.503 120.500 -0.004 0.000 2.502 389 R HA 0.588 4.928 4.340 -0.001 0.000 0.300 389 R C -0.258 176.040 176.300 -0.004 0.000 0.984 389 R CA -0.155 55.944 56.100 -0.003 0.000 0.882 389 R CB 1.268 31.565 30.300 -0.005 0.000 1.180 389 R HN 0.932 nan 8.270 nan 0.000 0.444 390 Q N 3.391 123.190 119.800 -0.002 0.000 2.337 390 Q HA 0.091 4.430 4.340 -0.001 0.000 0.270 390 Q C -0.490 175.508 176.000 -0.003 0.000 1.002 390 Q CA 0.263 56.065 55.803 -0.001 0.000 0.888 390 Q CB 0.484 29.223 28.738 0.001 0.000 1.222 390 Q HN 0.696 nan 8.270 nan 0.000 0.400 391 R N 2.218 122.716 120.500 -0.004 0.000 2.308 391 R HA 0.572 4.912 4.340 -0.001 0.000 0.305 391 R C -0.519 175.778 176.300 -0.004 0.000 1.053 391 R CA -0.243 55.854 56.100 -0.006 0.000 0.957 391 R CB 0.416 30.712 30.300 -0.007 0.000 1.022 391 R HN 0.755 nan 8.270 nan 0.000 0.461 400 S N 1.373 117.055 115.700 -0.030 0.000 2.423 400 S HA 0.154 4.624 4.470 -0.001 0.000 0.231 400 S C 0.235 174.802 174.600 -0.055 0.000 1.014 400 S CA 0.794 58.956 58.200 -0.063 0.000 0.965 400 S CB -0.549 62.602 63.200 -0.082 0.000 0.785 400 S HN 0.615 nan 8.310 nan 0.000 0.495 401 H N 1.080 120.193 119.070 0.072 0.000 2.527 401 H HA 0.288 4.844 4.556 -0.001 0.000 0.321 401 H C 0.399 175.760 175.328 0.055 0.000 1.087 401 H CA -0.685 55.375 56.048 0.020 0.000 1.337 401 H CB 0.583 30.356 29.762 0.019 0.000 1.440 401 H HN 0.416 nan 8.280 nan 0.000 0.490 402 H N 1.328 120.506 119.070 0.179 0.000 2.533 402 H HA 0.332 4.888 4.556 -0.001 0.000 0.343 402 H C -0.337 175.031 175.328 0.067 0.000 1.160 402 H CA -1.101 55.006 56.048 0.098 0.000 1.218 402 H CB 0.611 30.412 29.762 0.066 0.000 1.566 402 H HN 0.255 nan 8.280 nan 0.000 0.522 403 V N 1.110 121.135 119.914 0.186 0.000 3.032 403 V HA -0.158 3.962 4.120 -0.001 0.000 0.307 403 V C 1.399 177.551 176.094 0.096 0.000 1.097 403 V CA -0.466 61.887 62.300 0.089 0.000 1.191 403 V CB 0.226 32.098 31.823 0.082 0.000 0.964 403 V HN 0.919 nan 8.190 nan 0.000 0.494 404 C N 7.006 126.321 119.300 0.024 0.000 2.634 404 C HA 0.226 4.686 4.460 -0.001 0.000 0.418 404 C C -0.371 174.666 174.990 0.078 0.000 1.373 404 C CA -0.500 58.538 59.018 0.033 0.000 1.756 404 C CB 0.033 27.770 27.740 -0.005 0.000 2.589 404 C HN 0.902 nan 8.230 nan 0.000 0.602 405 P HA 0.074 nan 4.420 nan 0.000 0.238 405 P C 1.418 178.804 177.300 0.143 0.000 1.183 405 P CA 0.524 63.697 63.100 0.122 0.000 0.813 405 P CB 0.042 31.817 31.700 0.125 0.000 0.944 406 R N 1.260 121.820 120.500 0.101 0.000 2.064 406 R HA -0.066 4.274 4.340 -0.001 0.000 0.228 406 R C 0.587 176.889 176.300 0.002 0.000 1.144 406 R CA 1.708 57.856 56.100 0.079 0.000 0.932 406 R CB -1.279 29.046 30.300 0.042 0.000 0.833 406 R HN 0.283 nan 8.270 nan 0.000 0.429 407 C N 0.238 119.532 119.300 -0.010 0.000 2.463 407 C HA 0.602 5.062 4.460 -0.001 0.000 0.380 407 C C 0.112 175.095 174.990 -0.010 0.000 1.264 407 C CA -1.092 57.903 59.018 -0.038 0.000 2.161 407 C CB 1.335 29.053 27.740 -0.037 0.000 2.515 407 C HN 0.426 nan 8.230 nan 0.000 0.565 408 S N 2.170 117.856 115.700 -0.022 0.000 3.483 408 S HA 0.500 4.970 4.470 -0.001 0.000 0.274 408 S C 1.367 175.961 174.600 -0.009 0.000 1.289 408 S CA 0.586 58.786 58.200 0.001 0.000 0.938 408 S CB -0.264 62.937 63.200 0.001 0.000 1.453 408 S HN 1.916 nan 8.310 nan 0.000 0.494 409 G N 2.528 111.323 108.800 -0.008 0.000 2.267 409 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.257 409 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.257 409 G C 1.179 176.064 174.900 -0.025 0.000 0.998 409 G CA 0.979 46.069 45.100 -0.016 0.000 0.620 409 G HN 0.768 nan 8.290 nan 0.000 0.529 410 T N -1.964 112.573 114.554 -0.027 0.000 2.942 410 T HA 0.350 4.699 4.350 -0.001 0.000 0.265 410 T C 2.728 177.409 174.700 -0.031 0.000 1.062 410 T CA 1.971 64.053 62.100 -0.030 0.000 1.139 410 T CB -0.293 68.555 68.868 -0.033 0.000 0.883 410 T HN 2.304 nan 8.240 nan 0.000 0.468 411 G N 1.248 110.029 108.800 -0.032 0.000 2.159 411 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.256 411 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.256 411 G C 0.298 175.180 174.900 -0.030 0.000 0.977 411 G CA 0.771 45.852 45.100 -0.032 0.000 0.652 411 G HN 1.242 nan 8.290 nan 0.000 0.531 412 T N -3.564 110.971 114.554 -0.032 0.000 2.681 412 T HA 0.765 5.114 4.350 -0.001 0.000 0.296 412 T C -1.051 173.626 174.700 -0.038 0.000 1.157 412 T CA -0.326 61.755 62.100 -0.032 0.000 1.025 412 T CB 3.004 71.855 68.868 -0.030 0.000 1.441 412 T HN 1.103 nan 8.240 nan 0.000 0.504 413 V N 0.588 120.479 119.914 -0.038 0.000 2.697 413 V HA 0.477 4.596 4.120 -0.001 0.000 0.300 413 V C -0.175 175.894 176.094 -0.042 0.000 1.115 413 V CA -0.952 61.322 62.300 -0.043 0.000 0.912 413 V CB 1.865 33.663 31.823 -0.041 0.000 1.024 413 V HN 0.943 nan 8.190 nan 0.000 0.431 414 R N 2.908 123.383 120.500 -0.042 0.000 2.504 414 R HA 0.046 4.386 4.340 -0.001 0.000 0.291 414 R C -0.001 176.264 176.300 -0.058 0.000 0.974 414 R CA 0.060 56.134 56.100 -0.044 0.000 1.077 414 R CB 0.237 30.515 30.300 -0.037 0.000 0.926 414 R HN 0.668 nan 8.270 nan 0.000 0.407 415 D N 2.627 122.987 120.400 -0.066 0.000 2.419 415 D HA -0.087 4.552 4.640 -0.001 0.000 0.236 415 D C 0.980 177.204 176.300 -0.128 0.000 1.165 415 D CA 0.406 54.354 54.000 -0.087 0.000 0.882 415 D CB 0.518 41.266 40.800 -0.086 0.000 1.201 415 D HN 0.595 nan 8.370 nan 0.000 0.443 416 N N 0.898 119.503 118.700 -0.158 0.000 2.037 416 N HA -0.241 4.499 4.740 -0.001 0.000 0.196 416 N C 1.204 176.492 175.510 -0.370 0.000 1.034 416 N CA 1.375 54.290 53.050 -0.225 0.000 0.861 416 N CB 0.057 38.403 38.487 -0.235 0.000 1.039 416 N HN 0.430 nan 8.380 nan 0.000 0.427 417 E N 0.461 120.369 120.200 -0.487 0.000 2.051 417 E HA -0.124 4.225 4.350 -0.001 0.000 0.192 417 E C 2.025 178.481 176.600 -0.240 0.000 0.991 417 E CA 0.852 56.887 56.400 -0.608 0.000 0.799 417 E CB -0.297 29.143 29.700 -0.433 0.000 0.748 417 E HN 0.145 nan 8.360 nan 0.000 0.449 418 S N -0.002 115.603 115.700 -0.158 0.000 2.368 418 S HA -0.130 4.339 4.470 -0.001 0.000 0.225 418 S C 1.835 176.383 174.600 -0.088 0.000 1.030 418 S CA 0.872 59.019 58.200 -0.088 0.000 0.999 418 S CB -0.182 62.976 63.200 -0.069 0.000 0.844 418 S HN 0.204 nan 8.310 nan 0.000 0.459 419 L N 1.417 122.573 121.223 -0.111 0.000 2.109 419 L HA 0.103 4.443 4.340 -0.001 0.000 0.207 419 L C 2.402 179.189 176.870 -0.139 0.000 1.086 419 L CA 1.836 56.608 54.840 -0.113 0.000 0.760 419 L CB -1.007 40.996 42.059 -0.093 0.000 0.910 419 L HN 0.237 nan 8.230 nan 0.000 0.437 420 S N -0.358 115.272 115.700 -0.117 0.000 2.356 420 S HA -0.159 4.311 4.470 -0.001 0.000 0.223 420 S C 1.909 176.506 174.600 -0.005 0.000 1.032 420 S CA 1.729 59.909 58.200 -0.032 0.000 1.005 420 S CB -0.462 62.800 63.200 0.104 0.000 0.867 420 S HN 0.443 nan 8.310 nan 0.000 0.449 421 L N 0.935 122.164 121.223 0.010 0.000 2.141 421 L HA -0.054 4.285 4.340 -0.001 0.000 0.209 421 L C 2.668 179.518 176.870 -0.034 0.000 1.094 421 L CA 0.940 55.788 54.840 0.014 0.000 0.763 421 L CB -0.537 41.540 42.059 0.030 0.000 0.908 421 L HN 0.309 nan 8.230 nan 0.000 0.437 422 S N 0.417 116.075 115.700 -0.070 0.000 2.356 422 S HA -0.151 4.319 4.470 -0.001 0.000 0.223 422 S C 1.979 176.492 174.600 -0.146 0.000 1.032 422 S CA 1.270 59.414 58.200 -0.093 0.000 1.005 422 S CB -0.178 62.960 63.200 -0.104 0.000 0.867 422 S HN 0.294 nan 8.310 nan 0.000 0.449 423 I N 0.992 121.420 120.570 -0.237 0.000 2.202 423 I HA -0.136 4.034 4.170 -0.001 0.000 0.242 423 I C 2.349 178.390 176.117 -0.127 0.000 1.091 423 I CA 0.856 61.980 61.300 -0.292 0.000 1.368 423 I CB -0.398 37.374 38.000 -0.379 0.000 1.058 423 I HN 0.310 nan 8.210 nan 0.000 0.410 424 L N 1.069 122.248 121.223 -0.074 0.000 1.990 424 L HA -0.239 4.101 4.340 -0.001 0.000 0.213 424 L C 2.662 179.518 176.870 -0.023 0.000 1.072 424 L CA 1.883 56.705 54.840 -0.030 0.000 0.755 424 L CB -0.566 41.489 42.059 -0.006 0.000 0.889 424 L HN 0.081 nan 8.230 nan 0.000 0.432 425 R N -1.110 119.375 120.500 -0.025 0.000 2.103 425 R HA -0.213 4.126 4.340 -0.001 0.000 0.242 425 R C 2.178 178.471 176.300 -0.011 0.000 1.142 425 R CA 1.761 57.852 56.100 -0.015 0.000 0.960 425 R CB -0.763 29.528 30.300 -0.015 0.000 0.858 425 R HN 0.329 nan 8.270 nan 0.000 0.439 426 L N 0.947 122.156 121.223 -0.022 0.000 2.093 426 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 426 L C 1.896 178.772 176.870 0.009 0.000 1.085 426 L CA 1.510 56.349 54.840 -0.003 0.000 0.755 426 L CB -0.157 41.899 42.059 -0.006 0.000 0.904 426 L HN 0.131 nan 8.230 nan 0.000 0.435 427 I N -0.547 120.023 120.570 -0.001 0.000 2.179 427 I HA -0.297 3.872 4.170 -0.001 0.000 0.242 427 I C 2.482 178.608 176.117 0.015 0.000 1.088 427 I CA 1.628 62.936 61.300 0.013 0.000 1.357 427 I CB -0.428 37.578 38.000 0.010 0.000 1.051 427 I HN 0.370 nan 8.210 nan 0.000 0.409 428 E N 1.392 121.596 120.200 0.007 0.000 2.085 428 E HA -0.273 4.076 4.350 -0.001 0.000 0.194 428 E C 2.065 178.671 176.600 0.010 0.000 0.994 428 E CA 1.549 57.953 56.400 0.008 0.000 0.801 428 E CB -0.020 29.682 29.700 0.003 0.000 0.743 428 E HN 0.439 nan 8.360 nan 0.000 0.453 429 E N -0.176 120.030 120.200 0.011 0.000 2.118 429 E HA -0.195 4.154 4.350 -0.001 0.000 0.195 429 E C 2.038 178.647 176.600 0.015 0.000 0.992 429 E CA 1.060 57.468 56.400 0.013 0.000 0.804 429 E CB 0.047 29.756 29.700 0.014 0.000 0.741 429 E HN 0.331 nan 8.360 nan 0.000 0.458 430 E N 0.073 120.285 120.200 0.019 0.000 2.152 430 E HA -0.087 4.262 4.350 -0.001 0.000 0.192 430 E C 1.897 178.507 176.600 0.017 0.000 0.983 430 E CA 0.683 57.095 56.400 0.020 0.000 0.818 430 E CB -0.028 29.688 29.700 0.026 0.000 0.758 430 E HN 0.187 nan 8.360 nan 0.000 0.467 431 A N 0.604 123.435 122.820 0.018 0.000 2.119 431 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 431 A C 2.005 179.597 177.584 0.013 0.000 1.153 431 A CA 0.678 52.726 52.037 0.017 0.000 0.692 431 A CB -0.138 18.873 19.000 0.018 0.000 0.799 431 A HN 0.087 nan 8.150 nan 0.000 0.458 432 L N -0.377 120.853 121.223 0.011 0.000 2.307 432 L HA 0.116 4.456 4.340 -0.001 0.000 0.211 432 L C 0.888 177.763 176.870 0.008 0.000 1.099 432 L CA 0.845 55.690 54.840 0.009 0.000 0.816 432 L CB -0.361 41.703 42.059 0.008 0.000 0.952 432 L HN 0.193 nan 8.230 nan 0.000 0.455 433 K N 1.788 122.193 120.400 0.009 0.000 2.511 433 K HA 0.151 4.471 4.320 -0.001 0.000 0.280 433 K C 0.556 177.160 176.600 0.007 0.000 1.008 433 K CA 0.325 56.617 56.287 0.008 0.000 1.050 433 K CB 0.067 32.572 32.500 0.008 0.000 0.889 433 K HN 0.262 nan 8.250 nan 0.000 0.484 434 E N 1.289 121.492 120.200 0.006 0.000 2.413 434 E HA 0.154 4.503 4.350 -0.001 0.000 0.263 434 E C 0.808 177.411 176.600 0.004 0.000 1.015 434 E CA 0.381 56.783 56.400 0.005 0.000 0.916 434 E CB -0.552 29.151 29.700 0.004 0.000 0.947 434 E HN 0.792 nan 8.360 nan 0.000 0.440 435 N N 0.735 119.437 118.700 0.004 0.000 2.882 435 N HA -0.148 4.591 4.740 -0.001 0.000 0.249 435 N C 0.537 176.048 175.510 0.002 0.000 1.079 435 N CA 1.077 54.129 53.050 0.003 0.000 0.800 435 N CB -2.315 36.173 38.487 0.001 0.000 1.124 435 N HN 0.943 nan 8.380 nan 0.000 0.557 436 T N -0.242 114.315 114.554 0.004 0.000 2.780 436 T HA 0.460 4.809 4.350 -0.001 0.000 0.294 436 T C 1.151 175.856 174.700 0.009 0.000 0.949 436 T CA 0.345 62.448 62.100 0.005 0.000 1.074 436 T CB 1.740 70.613 68.868 0.008 0.000 0.910 436 T HN 0.567 nan 8.240 nan 0.000 0.501 437 Q N 2.446 122.251 119.800 0.008 0.000 2.389 437 Q HA 0.210 4.549 4.340 -0.001 0.000 0.201 437 Q C 0.045 176.067 176.000 0.036 0.000 0.956 437 Q CA 1.131 56.944 55.803 0.018 0.000 0.871 437 Q CB 0.634 29.380 28.738 0.014 0.000 0.990 437 Q HN 0.780 nan 8.270 nan 0.000 0.554 438 E N -0.842 119.381 120.200 0.038 0.000 2.393 438 E HA 0.551 4.901 4.350 -0.001 0.000 0.273 438 E C -1.815 174.822 176.600 0.063 0.000 0.918 438 E CA -0.886 55.572 56.400 0.097 0.000 0.773 438 E CB 2.891 32.718 29.700 0.211 0.000 1.275 438 E HN -0.020 nan 8.360 nan 0.000 0.451 439 V N 2.293 122.299 119.914 0.154 0.000 2.524 439 V HA 0.292 4.411 4.120 -0.001 0.000 0.297 439 V C -1.565 174.680 176.094 0.251 0.000 1.035 439 V CA -0.370 61.998 62.300 0.113 0.000 0.867 439 V CB 1.202 33.061 31.823 0.061 0.000 1.004 439 V HN 0.716 nan 8.190 nan 0.000 0.426 440 H N 5.849 124.908 119.070 -0.019 0.000 2.556 440 H HA 0.658 5.214 4.556 -0.001 0.000 0.310 440 H C 0.231 175.544 175.328 -0.024 0.000 1.057 440 H CA -0.253 55.772 56.048 -0.039 0.000 1.264 440 H CB 1.849 31.543 29.762 -0.114 0.000 1.404 440 H HN 0.866 nan 8.280 nan 0.000 0.462 441 A N 3.721 126.605 122.820 0.106 0.000 2.260 441 A HA 0.520 4.840 4.320 -0.001 0.000 0.312 441 A C 0.320 177.959 177.584 0.091 0.000 1.321 441 A CA -0.434 51.659 52.037 0.093 0.000 0.928 441 A CB -0.548 18.486 19.000 0.056 0.000 1.158 441 A HN 0.700 nan 8.150 nan 0.000 0.542 442 I N 3.231 123.883 120.570 0.136 0.000 2.337 442 I HA 0.605 4.775 4.170 -0.001 0.000 0.285 442 I C 0.050 176.279 176.117 0.186 0.000 1.041 442 I CA -0.655 60.731 61.300 0.143 0.000 1.199 442 I CB 0.139 38.226 38.000 0.146 0.000 1.370 442 I HN 1.036 nan 8.210 nan 0.000 0.470 443 V N 2.942 122.939 119.914 0.140 0.000 3.001 443 V HA 0.866 4.985 4.120 -0.001 0.000 0.314 443 V C -2.918 173.244 176.094 0.114 0.000 1.099 443 V CA -2.968 59.416 62.300 0.140 0.000 0.989 443 V CB 1.695 33.572 31.823 0.091 0.000 1.040 443 V HN 0.572 nan 8.190 nan 0.000 0.434 444 P HA 0.116 nan 4.420 nan 0.000 0.267 444 P C 1.170 178.511 177.300 0.068 0.000 1.201 444 P CA 0.154 63.306 63.100 0.088 0.000 0.775 444 P CB 0.576 32.326 31.700 0.083 0.000 0.854 445 V N 4.513 124.463 119.914 0.059 0.000 2.231 445 V HA -0.195 3.925 4.120 -0.001 0.000 0.250 445 V C -0.472 175.652 176.094 0.051 0.000 1.058 445 V CA 2.652 64.982 62.300 0.051 0.000 1.022 445 V CB -2.299 29.549 31.823 0.041 0.000 0.640 445 V HN 0.742 nan 8.190 nan 0.000 0.445 446 P HA -0.078 nan 4.420 nan 0.000 0.226 446 P C 1.713 179.051 177.300 0.064 0.000 1.153 446 P CA 1.196 64.325 63.100 0.048 0.000 0.777 446 P CB -0.048 31.667 31.700 0.025 0.000 0.794 447 I N 0.526 121.127 120.570 0.052 0.000 2.233 447 I HA -0.130 4.039 4.170 -0.001 0.000 0.243 447 I C 2.522 178.695 176.117 0.094 0.000 1.093 447 I CA 1.296 62.631 61.300 0.058 0.000 1.380 447 I CB -1.938 36.080 38.000 0.030 0.000 1.067 447 I HN -0.062 nan 8.210 nan 0.000 0.413 448 A N 0.184 123.048 122.820 0.074 0.000 1.902 448 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 448 A C 2.632 180.256 177.584 0.067 0.000 1.181 448 A CA 2.112 54.187 52.037 0.064 0.000 0.623 448 A CB -0.864 18.168 19.000 0.054 0.000 0.818 448 A HN 0.405 nan 8.150 nan 0.000 0.443 449 S N -2.021 113.724 115.700 0.076 0.000 2.370 449 S HA -0.211 4.259 4.470 -0.001 0.000 0.226 449 S C 1.887 176.540 174.600 0.089 0.000 1.033 449 S CA 1.754 59.996 58.200 0.070 0.000 1.011 449 S CB -0.523 62.719 63.200 0.070 0.000 0.852 449 S HN 0.645 nan 8.310 nan 0.000 0.457 450 Y N 1.673 121.970 120.300 -0.004 0.000 2.133 450 Y HA 0.023 4.573 4.550 -0.001 0.000 0.287 450 Y C 2.023 177.916 175.900 -0.011 0.000 1.134 450 Y CA 1.693 59.788 58.100 -0.008 0.000 1.133 450 Y CB -0.404 38.048 38.460 -0.012 0.000 0.987 450 Y HN 0.224 nan 8.280 nan 0.000 0.502 451 L N -0.446 120.837 121.223 0.101 0.000 2.131 451 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 451 L C 1.702 178.546 176.870 -0.043 0.000 1.092 451 L CA 1.172 56.021 54.840 0.014 0.000 0.759 451 L CB -0.379 41.710 42.059 0.050 0.000 0.903 451 L HN 0.278 nan 8.230 nan 0.000 0.435 452 L N -1.001 120.207 121.223 -0.025 0.000 2.628 452 L HA 0.113 4.452 4.340 -0.001 0.000 0.229 452 L C 1.323 178.165 176.870 -0.047 0.000 1.137 452 L CA -0.103 54.720 54.840 -0.028 0.000 0.909 452 L CB -0.146 41.911 42.059 -0.004 0.000 1.137 452 L HN 0.278 nan 8.230 nan 0.000 0.470 453 N N -0.873 117.776 118.700 -0.086 0.000 3.013 453 N HA 0.004 4.744 4.740 -0.001 0.000 0.250 453 N C 1.220 176.630 175.510 -0.167 0.000 0.997 453 N CA 0.174 53.165 53.050 -0.097 0.000 1.052 453 N CB 0.351 38.799 38.487 -0.065 0.000 1.663 453 N HN 0.016 nan 8.380 nan 0.000 0.641 454 E N 1.215 121.235 120.200 -0.300 0.000 2.204 454 E HA 0.002 4.352 4.350 -0.001 0.000 0.195 454 E C 0.600 176.964 176.600 -0.393 0.000 0.990 454 E CA 1.139 57.274 56.400 -0.442 0.000 0.821 454 E CB 0.224 29.371 29.700 -0.921 0.000 0.750 454 E HN 0.057 nan 8.360 nan 0.000 0.477 455 K N -0.493 119.706 120.400 -0.334 0.000 2.438 455 K HA 0.205 4.525 4.320 -0.001 0.000 0.205 455 K C 1.154 177.689 176.600 -0.108 0.000 1.033 455 K CA -0.111 56.058 56.287 -0.197 0.000 1.089 455 K CB 0.514 32.917 32.500 -0.161 0.000 0.857 455 K HN -0.012 nan 8.250 nan 0.000 0.522 456 R N 0.902 121.342 120.500 -0.100 0.000 2.096 456 R HA -0.130 4.209 4.340 -0.001 0.000 0.240 456 R C 1.650 177.923 176.300 -0.045 0.000 1.139 456 R CA 2.085 58.149 56.100 -0.060 0.000 0.952 456 R CB 0.051 30.319 30.300 -0.053 0.000 0.854 456 R HN -0.009 nan 8.270 nan 0.000 0.436 457 S N 0.159 115.830 115.700 -0.049 0.000 2.365 457 S HA -0.224 4.246 4.470 -0.001 0.000 0.225 457 S C 1.953 176.536 174.600 -0.029 0.000 1.039 457 S CA 1.466 59.645 58.200 -0.036 0.000 1.033 457 S CB -0.327 62.851 63.200 -0.037 0.000 0.887 457 S HN 0.604 nan 8.310 nan 0.000 0.447 458 A N 0.953 123.752 122.820 -0.034 0.000 1.898 458 A HA -0.038 4.282 4.320 -0.001 0.000 0.216 458 A C 2.353 179.926 177.584 -0.018 0.000 1.181 458 A CA 1.572 53.594 52.037 -0.024 0.000 0.620 458 A CB -0.898 18.086 19.000 -0.026 0.000 0.819 458 A HN 0.352 nan 8.150 nan 0.000 0.442 459 V N 1.128 121.029 119.914 -0.022 0.000 2.343 459 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 459 V C 2.317 178.406 176.094 -0.009 0.000 1.051 459 V CA 2.122 64.414 62.300 -0.013 0.000 1.036 459 V CB -1.050 30.764 31.823 -0.015 0.000 0.654 459 V HN 0.542 nan 8.190 nan 0.000 0.451 460 N N 0.706 119.399 118.700 -0.013 0.000 2.069 460 N HA -0.147 4.593 4.740 -0.001 0.000 0.191 460 N C 1.942 177.448 175.510 -0.007 0.000 1.031 460 N CA 1.790 54.835 53.050 -0.009 0.000 0.852 460 N CB -0.552 37.928 38.487 -0.012 0.000 1.018 460 N HN 0.501 nan 8.380 nan 0.000 0.423 461 A N 1.124 123.939 122.820 -0.009 0.000 1.978 461 A HA -0.103 4.216 4.320 -0.001 0.000 0.220 461 A C 2.335 179.917 177.584 -0.003 0.000 1.170 461 A CA 0.955 52.988 52.037 -0.006 0.000 0.636 461 A CB -0.626 18.369 19.000 -0.008 0.000 0.810 461 A HN 0.239 nan 8.150 nan 0.000 0.448 462 I N -0.743 119.826 120.570 -0.002 0.000 2.163 462 I HA -0.240 3.929 4.170 -0.001 0.000 0.240 462 I C 2.521 178.641 176.117 0.005 0.000 1.081 462 I CA 1.577 62.878 61.300 0.002 0.000 1.353 462 I CB -0.472 37.530 38.000 0.003 0.000 1.054 462 I HN 0.386 nan 8.210 nan 0.000 0.407 463 E N -0.105 120.098 120.200 0.005 0.000 2.085 463 E HA -0.261 4.088 4.350 -0.001 0.000 0.194 463 E C 2.174 178.777 176.600 0.005 0.000 0.994 463 E CA 1.931 58.335 56.400 0.007 0.000 0.801 463 E CB -0.160 29.543 29.700 0.006 0.000 0.743 463 E HN 0.415 nan 8.360 nan 0.000 0.453 464 T N -0.279 114.277 114.554 0.003 0.000 2.985 464 T HA -0.026 4.324 4.350 -0.001 0.000 0.266 464 T C 1.780 176.481 174.700 0.002 0.000 1.076 464 T CA 0.643 62.745 62.100 0.002 0.000 1.135 464 T CB 0.102 68.969 68.868 -0.000 0.000 0.890 464 T HN 0.011 nan 8.240 nan 0.000 0.480 465 R N 0.137 120.638 120.500 0.002 0.000 2.093 465 R HA 0.114 4.453 4.340 -0.001 0.000 0.224 465 R C 0.461 176.764 176.300 0.004 0.000 1.101 465 R CA 0.731 56.833 56.100 0.003 0.000 0.979 465 R CB 0.139 30.440 30.300 0.002 0.000 0.877 465 R HN 0.359 nan 8.270 nan 0.000 0.441 466 Q N 1.710 121.513 119.800 0.006 0.000 2.771 466 Q HA 0.107 4.447 4.340 -0.001 0.000 0.239 466 Q C -1.099 174.906 176.000 0.008 0.000 1.231 466 Q CA -0.230 55.578 55.803 0.008 0.000 1.056 466 Q CB 0.522 29.266 28.738 0.010 0.000 1.284 466 Q HN 0.035 nan 8.270 nan 0.000 0.558 467 D N 0.692 121.097 120.400 0.007 0.000 2.520 467 D HA 0.121 4.761 4.640 -0.001 0.000 0.243 467 D C 1.221 177.526 176.300 0.009 0.000 1.160 467 D CA 1.818 55.822 54.000 0.007 0.000 0.877 467 D CB 0.340 41.143 40.800 0.006 0.000 1.150 467 D HN 0.720 nan 8.370 nan 0.000 0.494 468 G N 2.245 111.052 108.800 0.010 0.000 2.175 468 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.244 468 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.244 468 G C 0.176 175.087 174.900 0.018 0.000 0.982 468 G CA 0.203 45.311 45.100 0.013 0.000 0.641 468 G HN 0.602 nan 8.290 nan 0.000 0.527 469 V N 2.623 122.549 119.914 0.019 0.000 2.407 469 V HA 0.554 4.673 4.120 -0.001 0.000 0.278 469 V C 0.503 176.615 176.094 0.031 0.000 1.037 469 V CA -0.906 61.410 62.300 0.026 0.000 0.900 469 V CB 1.462 33.299 31.823 0.024 0.000 0.983 469 V HN 0.288 nan 8.190 nan 0.000 0.459 470 R N 2.988 123.515 120.500 0.045 0.000 2.229 470 R HA 0.382 4.722 4.340 -0.001 0.000 0.328 470 R C -0.979 175.358 176.300 0.062 0.000 1.009 470 R CA -0.327 55.800 56.100 0.046 0.000 0.864 470 R CB 1.171 31.503 30.300 0.052 0.000 1.085 470 R HN 0.646 nan 8.270 nan 0.000 0.453 471 C N 3.804 123.128 119.300 0.039 0.000 2.225 471 C HA 0.286 4.746 4.460 -0.001 0.000 0.328 471 C C 0.648 175.646 174.990 0.014 0.000 1.187 471 C CA -0.789 58.253 59.018 0.041 0.000 1.665 471 C CB 0.058 27.814 27.740 0.026 0.000 2.253 471 C HN 0.437 nan 8.230 nan 0.000 0.497 472 V N 6.123 126.036 119.914 -0.002 0.000 2.318 472 V HA 0.300 4.419 4.120 -0.001 0.000 0.271 472 V C 0.139 176.203 176.094 -0.052 0.000 1.030 472 V CA 0.050 62.298 62.300 -0.086 0.000 0.844 472 V CB 0.450 32.096 31.823 -0.294 0.000 1.015 472 V HN 0.711 nan 8.190 nan 0.000 0.460 473 I N 5.549 126.108 120.570 -0.020 0.000 2.307 473 I HA 0.323 4.493 4.170 -0.001 0.000 0.287 473 I C -0.176 175.947 176.117 0.011 0.000 1.054 473 I CA -0.319 60.985 61.300 0.006 0.000 1.218 473 I CB 1.528 39.536 38.000 0.014 0.000 1.398 473 I HN 0.358 nan 8.210 nan 0.000 0.475 474 V N 9.610 129.534 119.914 0.017 0.000 2.370 474 V HA 0.483 4.603 4.120 -0.001 0.000 0.279 474 V C -1.984 174.146 176.094 0.060 0.000 1.029 474 V CA -2.100 60.222 62.300 0.036 0.000 0.870 474 V CB 1.790 33.629 31.823 0.027 0.000 0.984 474 V HN 0.464 nan 8.190 nan 0.000 0.451 475 P HA 0.175 nan 4.420 nan 0.000 0.268 475 P C -1.136 176.208 177.300 0.074 0.000 1.205 475 P CA -0.019 63.120 63.100 0.065 0.000 0.771 475 P CB 0.582 32.315 31.700 0.054 0.000 0.858 476 N N 2.263 121.008 118.700 0.075 0.000 2.581 476 N HA 0.069 4.809 4.740 -0.001 0.000 0.279 476 N C 0.055 175.606 175.510 0.068 0.000 1.124 476 N CA -0.541 52.556 53.050 0.077 0.000 0.833 476 N CB 0.496 39.038 38.487 0.092 0.000 1.338 476 N HN 0.190 nan 8.380 nan 0.000 0.533 477 D N 1.729 122.162 120.400 0.055 0.000 2.363 477 D HA -0.062 4.577 4.640 -0.001 0.000 0.226 477 D C 0.399 176.725 176.300 0.044 0.000 1.020 477 D CA 0.645 54.672 54.000 0.046 0.000 0.892 477 D CB 0.274 41.095 40.800 0.034 0.000 0.900 477 D HN 0.420 nan 8.370 nan 0.000 0.531 478 Q N -0.467 119.362 119.800 0.049 0.000 2.403 478 Q HA 0.253 4.592 4.340 -0.001 0.000 0.203 478 Q C 0.347 176.374 176.000 0.045 0.000 0.932 478 Q CA 0.303 56.130 55.803 0.040 0.000 0.945 478 Q CB 0.374 29.134 28.738 0.036 0.000 1.045 478 Q HN 0.467 nan 8.270 nan 0.000 0.511 479 M N 0.182 119.821 119.600 0.066 0.000 2.644 479 M HA 0.292 4.772 4.480 -0.001 0.000 0.304 479 M C -0.047 176.312 176.300 0.098 0.000 1.215 479 M CA -0.579 54.776 55.300 0.090 0.000 0.871 479 M CB 2.561 35.234 32.600 0.121 0.000 1.740 479 M HN -0.084 nan 8.290 nan 0.000 0.464 480 E N -0.536 119.740 120.200 0.126 0.000 2.586 480 E HA 0.434 4.784 4.350 -0.001 0.000 0.232 480 E C 0.598 177.250 176.600 0.088 0.000 0.854 480 E CA -0.483 55.974 56.400 0.094 0.000 0.938 480 E CB 0.163 29.908 29.700 0.076 0.000 1.518 480 E HN 0.770 nan 8.360 nan 0.000 0.400 481 T N -1.612 112.969 114.554 0.045 0.000 2.685 481 T HA -0.127 4.223 4.350 -0.001 0.000 0.268 481 T C -1.138 173.568 174.700 0.010 0.000 1.034 481 T CA 1.286 63.398 62.100 0.020 0.000 1.149 481 T CB -1.473 67.389 68.868 -0.010 0.000 0.860 481 T HN 0.210 nan 8.240 nan 0.000 0.449 482 P HA 0.267 nan 4.420 nan 0.000 0.258 482 P C -0.341 176.695 177.300 -0.439 0.000 1.416 482 P CA 0.238 63.206 63.100 -0.219 0.000 0.927 482 P CB 0.054 31.537 31.700 -0.362 0.000 1.444 483 H N -0.040 119.053 119.070 0.038 0.000 2.954 483 H HA 0.374 4.929 4.556 -0.001 0.000 0.361 483 H C -0.791 174.558 175.328 0.035 0.000 1.122 483 H CA -0.461 55.557 56.048 -0.049 0.000 1.217 483 H CB 1.923 31.658 29.762 -0.046 0.000 1.776 483 H HN -0.024 nan 8.280 nan 0.000 0.533 484 Y N -0.612 119.658 120.300 -0.051 0.000 2.689 484 Y HA 0.600 5.150 4.550 -0.001 0.000 0.333 484 Y C -1.678 174.029 175.900 -0.321 0.000 1.208 484 Y CA -0.995 57.055 58.100 -0.083 0.000 1.055 484 Y CB 1.377 39.816 38.460 -0.035 0.000 1.304 484 Y HN 0.550 nan 8.280 nan 0.000 0.455 485 H N 0.011 119.221 119.070 0.233 0.000 2.771 485 H HA 0.730 5.286 4.556 -0.001 0.000 0.361 485 H C -1.540 173.910 175.328 0.204 0.000 1.108 485 H CA -1.068 55.063 56.048 0.139 0.000 1.201 485 H CB 2.477 32.254 29.762 0.025 0.000 1.681 485 H HN 0.658 nan 8.280 nan 0.000 0.534 486 V N 4.802 124.893 119.914 0.296 0.000 2.305 486 V HA 0.241 4.361 4.120 -0.001 0.000 0.275 486 V C -0.816 175.342 176.094 0.107 0.000 1.020 486 V CA -0.587 61.822 62.300 0.180 0.000 0.811 486 V CB 0.154 32.073 31.823 0.161 0.000 1.031 486 V HN 0.425 nan 8.190 nan 0.000 0.439 487 L N 4.223 125.470 121.223 0.041 0.000 2.325 487 L HA 0.632 4.972 4.340 -0.001 0.000 0.279 487 L C 0.281 177.115 176.870 -0.060 0.000 1.054 487 L CA -0.239 54.580 54.840 -0.035 0.000 0.804 487 L CB 0.997 42.961 42.059 -0.158 0.000 1.200 487 L HN 0.501 nan 8.230 nan 0.000 0.436 488 R N 1.589 122.059 120.500 -0.050 0.000 2.407 488 R HA 0.733 5.072 4.340 -0.001 0.000 0.303 488 R C -1.548 174.699 176.300 -0.089 0.000 0.981 488 R CA -0.588 55.480 56.100 -0.052 0.000 0.905 488 R CB 1.409 31.700 30.300 -0.015 0.000 1.099 488 R HN 0.493 nan 8.270 nan 0.000 0.459 489 V N 4.045 123.892 119.914 -0.112 0.000 2.357 489 V HA 0.470 4.590 4.120 -0.001 0.000 0.284 489 V C 0.767 176.833 176.094 -0.046 0.000 1.018 489 V CA -0.659 61.575 62.300 -0.109 0.000 0.841 489 V CB 1.009 32.717 31.823 -0.192 0.000 0.991 489 V HN 0.978 nan 8.190 nan 0.000 0.437 490 R N 3.002 123.484 120.500 -0.031 0.000 2.707 490 R HA 0.697 5.037 4.340 -0.001 0.000 0.270 490 R C 0.547 176.842 176.300 -0.009 0.000 1.083 490 R CA 0.112 56.203 56.100 -0.015 0.000 1.182 490 R CB -0.111 30.182 30.300 -0.011 0.000 1.084 490 R HN 1.038 nan 8.270 nan 0.000 0.528 491 K N 0.283 120.682 120.400 -0.003 0.000 2.447 491 K HA 0.459 4.778 4.320 -0.001 0.000 0.281 491 K C 1.513 178.113 176.600 -0.001 0.000 1.031 491 K CA 0.614 56.901 56.287 0.001 0.000 1.019 491 K CB -0.259 32.242 32.500 0.002 0.000 0.918 491 K HN 2.359 nan 8.250 nan 0.000 0.476 492 G N -0.261 108.539 108.800 -0.000 0.000 2.232 492 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.226 492 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.226 492 G C 0.867 175.764 174.900 -0.004 0.000 0.996 492 G CA 1.097 46.196 45.100 -0.002 0.000 0.626 492 G HN 1.640 nan 8.290 nan 0.000 0.509 493 E N 0.875 121.070 120.200 -0.007 0.000 2.501 493 E HA 0.461 4.810 4.350 -0.001 0.000 0.200 493 E C 0.715 177.308 176.600 -0.010 0.000 1.016 493 E CA 0.815 57.208 56.400 -0.012 0.000 0.921 493 E CB -0.123 29.567 29.700 -0.017 0.000 1.034 493 E HN 0.854 nan 8.360 nan 0.000 0.468 494 E N 0.667 120.867 120.200 0.001 0.000 2.349 494 E HA 0.358 4.707 4.350 -0.001 0.000 0.265 494 E C 0.198 176.809 176.600 0.018 0.000 1.064 494 E CA 0.203 56.615 56.400 0.020 0.000 0.886 494 E CB 1.081 30.804 29.700 0.038 0.000 1.036 494 E HN 0.209 nan 8.360 nan 0.000 0.413 495 T N -2.099 112.474 114.554 0.031 0.000 2.926 495 T HA 0.515 4.864 4.350 -0.001 0.000 0.289 495 T C -2.179 172.529 174.700 0.015 0.000 1.054 495 T CA -1.688 60.419 62.100 0.012 0.000 1.015 495 T CB 1.357 70.222 68.868 -0.004 0.000 1.167 495 T HN 0.410 nan 8.240 nan 0.000 0.526 496 P HA 0.266 nan 4.420 nan 0.000 0.220 496 P C -0.413 176.868 177.300 -0.032 0.000 1.793 496 P CA -0.305 62.788 63.100 -0.012 0.000 0.917 496 P CB -0.743 30.949 31.700 -0.013 0.000 1.755 497 T N 1.233 115.768 114.554 -0.032 0.000 2.869 497 T HA 0.280 4.629 4.350 -0.001 0.000 0.295 497 T C 0.659 175.283 174.700 -0.127 0.000 0.987 497 T CA -0.281 61.777 62.100 -0.071 0.000 1.109 497 T CB 0.740 69.581 68.868 -0.045 0.000 0.932 497 T HN 0.061 nan 8.240 nan 0.000 0.518 498 L N 2.899 123.985 121.223 -0.228 0.000 2.453 498 L HA 0.085 4.425 4.340 -0.001 0.000 0.272 498 L C 2.134 178.759 176.870 -0.408 0.000 1.182 498 L CA -0.380 54.223 54.840 -0.395 0.000 0.858 498 L CB 0.451 42.070 42.059 -0.733 0.000 1.120 498 L HN 0.894 nan 8.230 nan 0.000 0.474 499 S N 2.568 118.090 115.700 -0.296 0.000 2.372 499 S HA -0.304 4.166 4.470 -0.001 0.000 0.227 499 S C 1.664 176.202 174.600 -0.105 0.000 1.044 499 S CA 1.887 59.988 58.200 -0.165 0.000 1.050 499 S CB -0.812 62.351 63.200 -0.061 0.000 0.901 499 S HN 0.736 nan 8.310 nan 0.000 0.447 500 Y N -0.356 119.941 120.300 -0.005 0.000 2.561 500 Y HA 0.445 4.995 4.550 -0.001 0.000 0.291 500 Y C 1.825 177.735 175.900 0.017 0.000 1.141 500 Y CA 0.002 58.106 58.100 0.008 0.000 1.303 500 Y CB -0.409 38.055 38.460 0.007 0.000 1.015 500 Y HN 0.140 nan 8.280 nan 0.000 0.547 501 M N 0.430 119.891 119.600 -0.231 0.000 2.453 501 M HA 0.228 4.708 4.480 -0.001 0.000 0.239 501 M C 1.047 177.326 176.300 -0.035 0.000 1.151 501 M CA 0.116 55.361 55.300 -0.092 0.000 0.989 501 M CB -0.365 32.127 32.600 -0.181 0.000 1.548 501 M HN 0.498 nan 8.290 nan 0.000 0.479 502 L N 0.204 121.430 121.223 0.004 0.000 2.127 502 L HA -0.025 4.315 4.340 -0.001 0.000 0.203 502 L C -0.453 176.555 176.870 0.230 0.000 1.080 502 L CA 0.968 55.880 54.840 0.119 0.000 0.768 502 L CB -1.630 40.498 42.059 0.114 0.000 0.924 502 L HN 0.146 nan 8.230 nan 0.000 0.444 503 P HA -0.224 nan 4.420 nan 0.000 0.216 503 P C 1.679 179.046 177.300 0.112 0.000 1.150 503 P CA 1.246 64.431 63.100 0.142 0.000 0.843 503 P CB 0.006 31.767 31.700 0.102 0.000 0.787 504 K N -0.561 119.885 120.400 0.077 0.000 2.148 504 K HA -0.091 4.228 4.320 -0.001 0.000 0.204 504 K C 2.034 178.638 176.600 0.006 0.000 1.050 504 K CA 0.838 57.148 56.287 0.038 0.000 0.942 504 K CB -1.423 31.096 32.500 0.032 0.000 0.724 504 K HN 0.039 nan 8.250 nan 0.000 0.446 505 L N 0.725 121.941 121.223 -0.012 0.000 2.056 505 L HA -0.017 4.323 4.340 -0.001 0.000 0.207 505 L C 2.105 178.836 176.870 -0.232 0.000 1.078 505 L CA 1.985 56.737 54.840 -0.148 0.000 0.749 505 L CB -0.443 41.474 42.059 -0.236 0.000 0.901 505 L HN 0.495 nan 8.230 nan 0.000 0.433 506 H N -1.882 117.178 119.070 -0.017 0.000 2.539 506 H HA 0.040 4.596 4.556 -0.001 0.000 0.269 506 H C 1.779 177.061 175.328 -0.077 0.000 0.980 506 H CA 0.701 56.720 56.048 -0.048 0.000 1.152 506 H CB 0.200 29.929 29.762 -0.055 0.000 1.407 506 H HN 0.390 nan 8.280 nan 0.000 0.564 507 E N 1.519 121.733 120.200 0.023 0.000 2.051 507 E HA -0.109 4.241 4.350 -0.001 0.000 0.192 507 E C 1.249 177.836 176.600 -0.022 0.000 0.991 507 E CA 1.032 57.426 56.400 -0.010 0.000 0.799 507 E CB -0.094 29.603 29.700 -0.005 0.000 0.748 507 E HN 0.835 nan 8.360 nan 0.000 0.449 508 E N 0.000 120.182 120.200 -0.031 0.000 2.725 508 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 508 E CA 0.000 56.379 56.400 -0.034 0.000 0.976 508 E CB 0.000 29.675 29.700 -0.042 0.000 0.812 508 E HN 0.000 nan 8.360 nan 0.000 0.440