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 2vyc_1_H DATA FIRST_RESID 1 DATA SEQUENCE MKVLIVESEF LHQDTWVGNA VERLADALSQ QNVTVIKSTS FDDGFAILSS DATA SEQUENCE NEAIDCLMFS YQMEHPDEHQ NVRQLIGKLH ERQQNVPVFL LGDREKALAA DATA SEQUENCE MDRDLLELVD EFAWILEDTA DFIAGRAVAA MTRYRQQLLP PLFSALMKYS DATA SEQUENCE DIHEYSWAAP GHQGGVGFTK TPAGRFYHDY YGENLFRTDM GIERTSLGSL DATA SEQUENCE LDHTGAFGES EKYAARVFGA DRSWSVVVGT SGSNRTIMQA CMTDNDVVVV DATA SEQUENCE DRNCHKSIEQ GLMLTGAKPV YMVPSRNRYG IIGPIYPQEM QPETLQKKIS DATA SEQUENCE ESPLTKDKAG QKPSYCVVTN CTYDGVCYNA KEAQDLLEKT SDRLHFDEAW DATA SEQUENCE YGYARFNPIY ADHYAMRGEP GDHNGPTVFA THSTHXLLNA LSQASYIHVR DATA SEQUENCE EGRGAINFSR FNQAYMMHAT TSPLYAICAS NDVAVSMMDG NSGLSLTQEV DATA SEQUENCE IDEAVDFRQA MARLYKEFTA DGSWFFKPWN KEVVTDPQTG KTYDFADAPT DATA SEQUENCE KLLTTVQDCW VMHPGESWHG FKDIPDNWSM LDPIKVSILA PGMGEDGELE DATA SEQUENCE ETGVPAALVT AWLGRHGIVP TRTTDFQIMF LFSMGVTRGK WGTLVNTLCS DATA SEQUENCE FKRHYDANTP LAQVMPELVE QYPDTYANMG IHDLGDTMFA WLKENNPGAR DATA SEQUENCE LNEAYSGLPV AEVTPREAYN AIVDNNVELV SIENLPGRIA ANSVIPYPPG DATA SEQUENCE IPMLLSGENF GDKNSPQVSY LRSLQSWDHH FPGFEHETEG TEIIDGIYHV DATA SEQUENCE MCVKA 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 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 K N 2.547 122.957 120.400 0.017 0.000 2.292 2 K HA 0.818 5.137 4.320 -0.000 0.000 0.257 2 K C -1.582 175.006 176.600 -0.019 0.000 0.940 2 K CA -0.610 55.677 56.287 -0.001 0.000 0.811 2 K CB 1.914 34.420 32.500 0.009 0.000 1.120 2 K HN 0.533 nan 8.250 nan 0.000 0.428 3 V N 5.104 124.995 119.914 -0.040 0.000 2.459 3 V HA 0.344 4.464 4.120 -0.000 0.000 0.295 3 V C -0.720 175.344 176.094 -0.050 0.000 1.029 3 V CA -1.020 61.243 62.300 -0.062 0.000 0.874 3 V CB 1.397 33.163 31.823 -0.095 0.000 0.985 3 V HN 0.647 nan 8.190 nan 0.000 0.438 4 L N 6.871 128.067 121.223 -0.045 0.000 2.272 4 L HA 0.612 4.952 4.340 -0.000 0.000 0.289 4 L C -0.526 176.323 176.870 -0.034 0.000 1.032 4 L CA 0.319 55.136 54.840 -0.038 0.000 0.810 4 L CB 0.825 42.865 42.059 -0.031 0.000 1.205 4 L HN 0.539 nan 8.230 nan 0.000 0.422 5 I N 6.280 126.825 120.570 -0.041 0.000 2.354 5 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 5 I C -0.664 175.421 176.117 -0.053 0.000 1.007 5 I CA -0.796 60.483 61.300 -0.036 0.000 1.167 5 I CB 1.599 39.572 38.000 -0.046 0.000 1.320 5 I HN 0.265 nan 8.210 nan 0.000 0.458 6 V N 6.431 126.315 119.914 -0.051 0.000 2.334 6 V HA 0.163 4.283 4.120 -0.000 0.000 0.267 6 V C 0.368 176.354 176.094 -0.180 0.000 1.040 6 V CA -0.584 61.622 62.300 -0.155 0.000 0.866 6 V CB 0.715 32.396 31.823 -0.237 0.000 1.019 6 V HN 0.673 nan 8.190 nan 0.000 0.468 7 E N 2.922 123.029 120.200 -0.155 0.000 2.070 7 E HA 0.158 4.507 4.350 -0.000 0.000 0.282 7 E C 0.319 176.788 176.600 -0.218 0.000 1.104 7 E CA -0.086 56.255 56.400 -0.100 0.000 0.876 7 E CB 0.904 30.619 29.700 0.025 0.000 1.055 7 E HN 0.661 nan 8.360 nan 0.000 0.401 8 S N 3.119 118.644 115.700 -0.291 0.000 2.546 8 S HA -0.082 4.388 4.470 -0.000 0.000 0.290 8 S C 1.346 175.718 174.600 -0.380 0.000 1.290 8 S CA -0.294 57.715 58.200 -0.317 0.000 1.069 8 S CB 0.478 63.733 63.200 0.091 0.000 0.846 8 S HN 0.586 nan 8.310 nan 0.000 0.495 9 E N 4.989 124.951 120.200 -0.396 0.000 2.427 9 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 9 E C 0.795 177.062 176.600 -0.556 0.000 1.028 9 E CA 0.805 56.693 56.400 -0.853 0.000 0.864 9 E CB -0.370 29.073 29.700 -0.428 0.000 0.813 9 E HN 0.831 nan 8.360 nan 0.000 0.514 10 F N 0.679 120.496 119.950 -0.221 0.000 2.802 10 F HA 0.165 4.692 4.527 -0.000 0.000 0.300 10 F C 1.676 177.406 175.800 -0.116 0.000 1.168 10 F CA 0.578 58.517 58.000 -0.102 0.000 1.433 10 F CB 0.232 39.237 39.000 0.007 0.000 1.115 10 F HN -0.045 nan 8.300 nan 0.000 0.582 11 L N -1.417 119.761 121.223 -0.076 0.000 3.184 11 L HA 0.153 4.492 4.340 -0.000 0.000 0.283 11 L C 1.366 178.160 176.870 -0.126 0.000 1.218 11 L CA -0.084 54.700 54.840 -0.093 0.000 1.028 11 L CB -0.227 41.797 42.059 -0.057 0.000 1.400 11 L HN 0.040 nan 8.230 nan 0.000 0.591 12 H N 0.971 119.974 119.070 -0.112 0.000 2.456 12 H HA -0.123 4.432 4.556 -0.000 0.000 0.296 12 H C 2.147 177.379 175.328 -0.160 0.000 1.079 12 H CA 1.279 57.245 56.048 -0.137 0.000 1.322 12 H CB 0.148 29.841 29.762 -0.115 0.000 1.388 12 H HN 0.467 nan 8.280 nan 0.000 0.538 13 Q N 1.089 120.863 119.800 -0.043 0.000 2.167 13 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 13 Q C -0.350 175.512 176.000 -0.230 0.000 0.970 13 Q CA 0.910 56.664 55.803 -0.081 0.000 0.855 13 Q CB -0.269 28.448 28.738 -0.036 0.000 0.911 13 Q HN 0.230 nan 8.270 nan 0.000 0.438 14 D N 2.775 122.903 120.400 -0.453 0.000 2.470 14 D HA 0.048 4.688 4.640 -0.000 0.000 0.226 14 D C 0.829 176.500 176.300 -1.048 0.000 1.196 14 D CA 0.481 53.751 54.000 -1.217 0.000 0.979 14 D CB 1.098 41.163 40.800 -1.226 0.000 1.059 14 D HN 0.380 nan 8.370 nan 0.000 0.515 15 T N -1.216 112.976 114.554 -0.603 0.000 2.995 15 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 15 T C 1.815 176.460 174.700 -0.092 0.000 1.091 15 T CA 0.265 62.239 62.100 -0.210 0.000 1.128 15 T CB -0.413 68.445 68.868 -0.017 0.000 0.891 15 T HN 0.591 nan 8.240 nan 0.000 0.492 16 W N 1.611 122.928 121.300 0.028 0.000 2.374 16 W HA 0.118 4.778 4.660 -0.000 0.000 0.288 16 W C 1.567 178.105 176.519 0.031 0.000 1.218 16 W CA 0.291 57.651 57.345 0.024 0.000 1.245 16 W CB -1.083 28.391 29.460 0.023 0.000 1.126 16 W HN 0.023 nan 8.180 nan 0.000 0.545 17 V N 2.715 122.411 119.914 -0.363 0.000 2.252 17 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 17 V C 2.718 178.776 176.094 -0.061 0.000 1.056 17 V CA 2.474 64.675 62.300 -0.165 0.000 1.022 17 V CB -1.746 29.927 31.823 -0.250 0.000 0.641 17 V HN 0.475 nan 8.190 nan 0.000 0.445 18 G N 0.189 108.937 108.800 -0.087 0.000 2.529 18 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.219 18 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.219 18 G C 1.327 176.220 174.900 -0.011 0.000 1.177 18 G CA 1.534 46.608 45.100 -0.042 0.000 0.773 18 G HN 0.660 nan 8.290 nan 0.000 0.573 19 N N 1.100 119.810 118.700 0.016 0.000 2.094 19 N HA -0.085 4.655 4.740 -0.000 0.000 0.191 19 N C 2.457 177.992 175.510 0.041 0.000 1.023 19 N CA 1.223 54.297 53.050 0.039 0.000 0.857 19 N CB -0.237 38.298 38.487 0.081 0.000 1.013 19 N HN 0.391 nan 8.380 nan 0.000 0.426 20 A N 0.606 123.463 122.820 0.063 0.000 1.969 20 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 20 A C 2.363 179.965 177.584 0.030 0.000 1.169 20 A CA 1.030 53.104 52.037 0.061 0.000 0.635 20 A CB -0.556 18.504 19.000 0.101 0.000 0.810 20 A HN 0.125 nan 8.150 nan 0.000 0.445 21 V N -0.338 119.585 119.914 0.015 0.000 2.379 21 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 21 V C 2.415 178.501 176.094 -0.014 0.000 1.044 21 V CA 2.067 64.365 62.300 -0.004 0.000 1.036 21 V CB -0.665 31.150 31.823 -0.012 0.000 0.664 21 V HN 0.668 nan 8.190 nan 0.000 0.453 22 E N 0.231 120.423 120.200 -0.013 0.000 2.049 22 E HA -0.268 4.081 4.350 -0.000 0.000 0.198 22 E C 2.488 179.078 176.600 -0.016 0.000 1.007 22 E CA 1.629 58.018 56.400 -0.018 0.000 0.809 22 E CB -0.077 29.614 29.700 -0.014 0.000 0.749 22 E HN 0.531 nan 8.360 nan 0.000 0.450 23 R N 0.051 120.546 120.500 -0.009 0.000 2.105 23 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 23 R C 2.520 178.806 176.300 -0.023 0.000 1.135 23 R CA 1.102 57.194 56.100 -0.014 0.000 0.967 23 R CB -0.438 29.857 30.300 -0.009 0.000 0.861 23 R HN 0.200 nan 8.270 nan 0.000 0.442 24 L N 0.920 122.131 121.223 -0.021 0.000 2.027 24 L HA -0.030 4.310 4.340 -0.000 0.000 0.206 24 L C 2.302 179.146 176.870 -0.043 0.000 1.074 24 L CA 1.935 56.756 54.840 -0.032 0.000 0.745 24 L CB -0.728 41.314 42.059 -0.029 0.000 0.898 24 L HN 0.113 nan 8.230 nan 0.000 0.433 25 A N -0.686 122.110 122.820 -0.040 0.000 1.933 25 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 25 A C 2.070 179.631 177.584 -0.038 0.000 1.175 25 A CA 1.875 53.886 52.037 -0.044 0.000 0.628 25 A CB -1.048 17.927 19.000 -0.041 0.000 0.814 25 A HN 0.624 nan 8.150 nan 0.000 0.444 26 D N -0.182 120.198 120.400 -0.032 0.000 2.117 26 D HA -0.028 4.612 4.640 -0.000 0.000 0.197 26 D C 1.980 178.262 176.300 -0.029 0.000 0.987 26 D CA 1.638 55.621 54.000 -0.028 0.000 0.829 26 D CB -0.224 40.561 40.800 -0.025 0.000 0.961 26 D HN 0.324 nan 8.370 nan 0.000 0.460 27 A N -0.055 122.745 122.820 -0.033 0.000 1.933 27 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 27 A C 2.415 179.980 177.584 -0.032 0.000 1.175 27 A CA 1.065 53.083 52.037 -0.032 0.000 0.628 27 A CB -0.762 18.215 19.000 -0.038 0.000 0.814 27 A HN 0.372 nan 8.150 nan 0.000 0.444 28 L N -0.319 120.880 121.223 -0.041 0.000 2.027 28 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 28 L C 2.904 179.754 176.870 -0.034 0.000 1.074 28 L CA 1.442 56.255 54.840 -0.046 0.000 0.745 28 L CB -0.486 41.533 42.059 -0.065 0.000 0.898 28 L HN 0.350 nan 8.230 nan 0.000 0.433 29 S N -0.374 115.308 115.700 -0.031 0.000 2.365 29 S HA -0.305 4.165 4.470 -0.000 0.000 0.225 29 S C 1.873 176.462 174.600 -0.018 0.000 1.039 29 S CA 1.447 59.633 58.200 -0.024 0.000 1.033 29 S CB -0.475 62.711 63.200 -0.023 0.000 0.887 29 S HN 0.445 nan 8.310 nan 0.000 0.447 30 Q N 0.657 120.446 119.800 -0.018 0.000 2.248 30 Q HA -0.132 4.208 4.340 -0.000 0.000 0.208 30 Q C 1.535 177.529 176.000 -0.009 0.000 0.984 30 Q CA 1.059 56.854 55.803 -0.013 0.000 0.875 30 Q CB -0.183 28.547 28.738 -0.014 0.000 0.910 30 Q HN 0.627 nan 8.270 nan 0.000 0.433 31 Q N -0.092 119.701 119.800 -0.011 0.000 2.222 31 Q HA 0.058 4.398 4.340 -0.000 0.000 0.206 31 Q C -0.365 175.631 176.000 -0.008 0.000 0.877 31 Q CA -0.251 55.548 55.803 -0.007 0.000 0.958 31 Q CB 0.368 29.102 28.738 -0.006 0.000 1.075 31 Q HN 0.289 nan 8.270 nan 0.000 0.483 32 N N -0.179 118.516 118.700 -0.009 0.000 2.747 32 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 32 N C -1.473 174.031 175.510 -0.010 0.000 1.107 32 N CA 0.307 53.352 53.050 -0.008 0.000 0.707 32 N CB -1.036 37.449 38.487 -0.003 0.000 1.054 32 N HN 0.025 nan 8.380 nan 0.000 0.555 33 V N 0.559 120.463 119.914 -0.017 0.000 2.472 33 V HA 0.401 4.521 4.120 -0.000 0.000 0.290 33 V C 0.827 176.908 176.094 -0.022 0.000 1.037 33 V CA -0.484 61.804 62.300 -0.021 0.000 0.908 33 V CB 1.807 33.609 31.823 -0.035 0.000 0.985 33 V HN 0.221 nan 8.190 nan 0.000 0.454 34 T N 4.582 119.125 114.554 -0.018 0.000 2.761 34 T HA 0.373 4.723 4.350 -0.000 0.000 0.296 34 T C -0.150 174.533 174.700 -0.028 0.000 0.934 34 T CA -0.084 62.004 62.100 -0.019 0.000 1.091 34 T CB 0.833 69.694 68.868 -0.012 0.000 0.896 34 T HN 0.386 nan 8.240 nan 0.000 0.515 35 V N 5.853 125.749 119.914 -0.031 0.000 2.370 35 V HA 0.431 4.551 4.120 -0.000 0.000 0.283 35 V C 0.095 176.168 176.094 -0.035 0.000 1.023 35 V CA -0.792 61.484 62.300 -0.039 0.000 0.857 35 V CB 1.144 32.941 31.823 -0.044 0.000 0.985 35 V HN 0.772 nan 8.190 nan 0.000 0.443 36 I N 5.152 125.701 120.570 -0.036 0.000 2.336 36 I HA 0.411 4.580 4.170 -0.000 0.000 0.292 36 I C 0.262 176.353 176.117 -0.043 0.000 0.991 36 I CA -0.335 60.944 61.300 -0.036 0.000 1.227 36 I CB 1.168 39.150 38.000 -0.030 0.000 1.366 36 I HN 0.459 nan 8.210 nan 0.000 0.466 37 K N 4.232 124.605 120.400 -0.046 0.000 2.185 37 K HA 0.530 4.849 4.320 -0.000 0.000 0.269 37 K C -0.631 175.932 176.600 -0.062 0.000 0.987 37 K CA -0.472 55.783 56.287 -0.054 0.000 0.865 37 K CB 1.905 34.372 32.500 -0.054 0.000 1.090 37 K HN 0.524 nan 8.250 nan 0.000 0.450 38 S N 0.970 116.625 115.700 -0.076 0.000 2.561 38 S HA 0.223 4.693 4.470 -0.000 0.000 0.303 38 S C 0.240 174.779 174.600 -0.102 0.000 1.110 38 S CA -0.691 57.454 58.200 -0.093 0.000 1.034 38 S CB 0.999 64.133 63.200 -0.110 0.000 1.010 38 S HN 0.648 nan 8.310 nan 0.000 0.482 39 T N 0.553 115.057 114.554 -0.084 0.000 3.186 39 T HA 0.418 4.768 4.350 -0.000 0.000 0.257 39 T C 0.315 175.029 174.700 0.025 0.000 1.029 39 T CA -0.003 62.081 62.100 -0.026 0.000 0.916 39 T CB -0.607 68.201 68.868 -0.099 0.000 1.041 39 T HN 0.742 nan 8.240 nan 0.000 0.562 40 S N -0.927 114.697 115.700 -0.127 0.000 2.588 40 S HA 0.605 5.075 4.470 -0.000 0.000 0.269 40 S C -0.135 174.236 174.600 -0.381 0.000 1.157 40 S CA -0.916 57.162 58.200 -0.203 0.000 0.824 40 S CB 0.365 63.508 63.200 -0.094 0.000 1.126 40 S HN -0.092 nan 8.310 nan 0.000 0.464 41 F N 1.331 121.088 119.950 -0.323 0.000 2.234 41 F HA 0.013 4.540 4.527 -0.000 0.000 0.299 41 F C 2.291 177.342 175.800 -1.248 0.000 1.087 41 F CA 1.397 58.973 58.000 -0.707 0.000 1.340 41 F CB -0.341 38.266 39.000 -0.654 0.000 1.031 41 F HN 0.646 nan 8.300 nan 0.000 0.500 42 D N -0.012 120.061 120.400 -0.545 0.000 2.117 42 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 42 D C 1.749 177.959 176.300 -0.150 0.000 0.987 42 D CA 1.630 55.453 54.000 -0.296 0.000 0.829 42 D CB -0.323 40.467 40.800 -0.017 0.000 0.961 42 D HN 0.270 nan 8.370 nan 0.000 0.460 43 D N 0.226 120.536 120.400 -0.150 0.000 2.104 43 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 43 D C 2.147 178.395 176.300 -0.087 0.000 0.994 43 D CA 1.630 55.575 54.000 -0.091 0.000 0.830 43 D CB -0.416 40.329 40.800 -0.093 0.000 0.959 43 D HN 0.185 nan 8.370 nan 0.000 0.452 44 G N -0.903 107.795 108.800 -0.171 0.000 2.418 44 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 44 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 44 G C 1.355 176.278 174.900 0.039 0.000 1.158 44 G CA 0.581 45.619 45.100 -0.102 0.000 0.771 44 G HN 0.211 nan 8.290 nan 0.000 0.545 45 F N 1.970 121.935 119.950 0.026 0.000 2.069 45 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 45 F C 3.066 178.867 175.800 0.001 0.000 1.113 45 F CA 0.366 58.373 58.000 0.012 0.000 1.214 45 F CB -1.208 37.804 39.000 0.021 0.000 0.978 45 F HN 0.265 nan 8.300 nan 0.000 0.474 46 A N 0.543 123.490 122.820 0.212 0.000 1.873 46 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 46 A C 2.339 179.964 177.584 0.068 0.000 1.193 46 A CA 2.056 54.160 52.037 0.112 0.000 0.629 46 A CB -1.274 17.769 19.000 0.073 0.000 0.826 46 A HN 0.374 nan 8.150 nan 0.000 0.447 47 I N -0.428 120.170 120.570 0.047 0.000 2.286 47 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 47 I C 2.077 178.213 176.117 0.033 0.000 1.115 47 I CA 1.069 62.384 61.300 0.025 0.000 1.392 47 I CB -0.237 37.765 38.000 0.004 0.000 1.065 47 I HN 0.269 nan 8.210 nan 0.000 0.418 48 L N -0.395 120.859 121.223 0.052 0.000 2.478 48 L HA -0.062 4.278 4.340 -0.000 0.000 0.223 48 L C 2.222 179.117 176.870 0.041 0.000 1.140 48 L CA 0.506 55.373 54.840 0.044 0.000 0.842 48 L CB -0.310 41.779 42.059 0.050 0.000 0.953 48 L HN 0.140 nan 8.230 nan 0.000 0.452 49 S N -0.883 114.847 115.700 0.050 0.000 2.501 49 S HA -0.009 4.461 4.470 -0.000 0.000 0.220 49 S C 1.147 175.764 174.600 0.028 0.000 0.997 49 S CA 0.300 58.522 58.200 0.036 0.000 0.919 49 S CB 0.037 63.261 63.200 0.041 0.000 0.778 49 S HN 0.561 nan 8.310 nan 0.000 0.523 50 S N 3.039 118.755 115.700 0.027 0.000 2.634 50 S HA 0.147 4.617 4.470 -0.000 0.000 0.261 50 S C 0.480 175.092 174.600 0.020 0.000 1.271 50 S CA -0.514 57.697 58.200 0.020 0.000 0.985 50 S CB 0.211 63.420 63.200 0.015 0.000 0.968 50 S HN 0.376 nan 8.310 nan 0.000 0.568 51 N N -0.412 118.298 118.700 0.017 0.000 2.441 51 N HA 0.062 4.802 4.740 -0.000 0.000 0.225 51 N C -0.367 175.156 175.510 0.022 0.000 1.208 51 N CA -0.225 52.837 53.050 0.020 0.000 0.847 51 N CB -0.479 38.017 38.487 0.016 0.000 1.121 51 N HN 0.718 nan 8.380 nan 0.000 0.479 52 E N 0.851 121.064 120.200 0.021 0.000 2.265 52 E HA 0.370 4.720 4.350 -0.000 0.000 0.272 52 E C -0.700 175.918 176.600 0.030 0.000 1.067 52 E CA -0.340 56.072 56.400 0.020 0.000 0.900 52 E CB 0.421 30.129 29.700 0.013 0.000 1.017 52 E HN 0.387 nan 8.360 nan 0.000 0.431 53 A N 5.884 128.728 122.820 0.040 0.000 2.302 53 A HA 0.478 4.797 4.320 -0.000 0.000 0.295 53 A C -0.063 177.556 177.584 0.059 0.000 1.235 53 A CA -0.586 51.489 52.037 0.064 0.000 0.876 53 A CB -0.439 18.610 19.000 0.080 0.000 1.133 53 A HN 0.711 nan 8.150 nan 0.000 0.533 54 I N -0.687 119.912 120.570 0.049 0.000 2.603 54 I HA 0.517 4.686 4.170 -0.000 0.000 0.300 54 I C -0.265 175.855 176.117 0.006 0.000 1.017 54 I CA -0.774 60.537 61.300 0.018 0.000 1.098 54 I CB 2.099 40.090 38.000 -0.016 0.000 1.279 54 I HN 0.473 nan 8.210 nan 0.000 0.437 55 D N 3.170 123.575 120.400 0.009 0.000 2.346 55 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 55 D C -0.122 176.094 176.300 -0.140 0.000 1.001 55 D CA 0.687 54.686 54.000 -0.002 0.000 0.871 55 D CB 0.790 41.668 40.800 0.130 0.000 0.943 55 D HN 0.520 nan 8.370 nan 0.000 0.518 56 C N 1.172 120.410 119.300 -0.104 0.000 3.006 56 C HA 0.506 4.966 4.460 -0.000 0.000 0.359 56 C C -1.729 173.227 174.990 -0.056 0.000 1.103 56 C CA -0.966 58.002 59.018 -0.084 0.000 1.286 56 C CB 0.681 28.354 27.740 -0.112 0.000 1.694 56 C HN 0.150 nan 8.230 nan 0.000 0.511 57 L N 6.732 127.953 121.223 -0.003 0.000 2.296 57 L HA 0.794 5.134 4.340 -0.000 0.000 0.286 57 L C -0.499 176.450 176.870 0.132 0.000 1.023 57 L CA 0.001 54.861 54.840 0.033 0.000 0.812 57 L CB 1.120 43.182 42.059 0.006 0.000 1.223 57 L HN 0.767 nan 8.230 nan 0.000 0.421 58 M N 6.270 125.932 119.600 0.104 0.000 2.456 58 M HA 0.585 5.065 4.480 -0.000 0.000 0.324 58 M C -1.234 175.201 176.300 0.226 0.000 1.124 58 M CA -0.581 54.806 55.300 0.146 0.000 0.959 58 M CB 1.904 34.500 32.600 -0.007 0.000 1.692 58 M HN 0.601 nan 8.290 nan 0.000 0.444 59 F N -0.341 119.624 119.950 0.026 0.000 2.631 59 F HA 0.828 5.355 4.527 -0.000 0.000 0.308 59 F C -0.724 175.116 175.800 0.068 0.000 1.097 59 F CA -1.134 56.866 58.000 -0.001 0.000 0.952 59 F CB 0.839 39.847 39.000 0.014 0.000 1.307 59 F HN 0.603 nan 8.300 nan 0.000 0.450 60 S N 1.855 117.565 115.700 0.016 0.000 2.687 60 S HA 0.767 5.237 4.470 -0.000 0.000 0.283 60 S C -1.683 173.086 174.600 0.283 0.000 1.170 60 S CA -0.473 57.747 58.200 0.033 0.000 1.008 60 S CB 1.856 65.077 63.200 0.035 0.000 1.026 60 S HN 1.077 nan 8.310 nan 0.000 0.541 61 Y N 0.755 121.117 120.300 0.105 0.000 2.275 61 Y HA 0.277 4.827 4.550 -0.000 0.000 0.319 61 Y C 0.517 176.484 175.900 0.110 0.000 1.204 61 Y CA -1.269 56.950 58.100 0.199 0.000 1.136 61 Y CB 1.227 39.825 38.460 0.230 0.000 1.228 61 Y HN 0.994 nan 8.280 nan 0.000 0.413 62 Q N 5.089 125.046 119.800 0.262 0.000 2.123 62 Q HA 0.021 4.361 4.340 -0.000 0.000 0.199 62 Q C 0.430 176.366 176.000 -0.106 0.000 0.966 62 Q CA 2.136 57.981 55.803 0.070 0.000 0.845 62 Q CB 0.108 28.914 28.738 0.113 0.000 0.907 62 Q HN 0.914 nan 8.270 nan 0.000 0.439 63 M N -1.209 118.217 119.600 -0.290 0.000 2.939 63 M HA -0.263 4.216 4.480 -0.000 0.000 0.202 63 M C 0.098 176.286 176.300 -0.186 0.000 0.592 63 M CA 0.904 55.921 55.300 -0.472 0.000 0.749 63 M CB -1.422 30.890 32.600 -0.480 0.000 2.692 63 M HN 0.280 nan 8.290 nan 0.000 0.382 64 E N -0.932 119.167 120.200 -0.168 0.000 2.290 64 E HA 0.141 4.491 4.350 -0.000 0.000 0.199 64 E C 0.646 177.241 176.600 -0.007 0.000 0.912 64 E CA 0.222 56.606 56.400 -0.027 0.000 0.924 64 E CB 0.462 30.178 29.700 0.027 0.000 0.901 64 E HN 0.651 nan 8.360 nan 0.000 0.487 65 H N 0.683 119.605 119.070 -0.246 0.000 2.459 65 H HA 0.117 4.673 4.556 -0.000 0.000 0.332 65 H C -1.942 173.250 175.328 -0.225 0.000 1.094 65 H CA -2.482 53.468 56.048 -0.162 0.000 1.224 65 H CB 1.781 31.506 29.762 -0.062 0.000 1.449 65 H HN -0.168 nan 8.280 nan 0.000 0.484 66 P HA -0.186 nan 4.420 nan 0.000 0.217 66 P C 0.728 178.138 177.300 0.183 0.000 1.148 66 P CA 1.136 64.425 63.100 0.315 0.000 0.828 66 P CB 0.332 32.170 31.700 0.231 0.000 0.783 67 D N -0.780 119.742 120.400 0.205 0.000 2.149 67 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 67 D C 1.943 178.059 176.300 -0.305 0.000 0.990 67 D CA 1.040 54.987 54.000 -0.088 0.000 0.839 67 D CB -0.448 40.253 40.800 -0.165 0.000 0.948 67 D HN 0.340 nan 8.370 nan 0.000 0.460 68 E N -0.377 119.389 120.200 -0.724 0.000 2.046 68 E HA -0.161 4.189 4.350 -0.000 0.000 0.190 68 E C 1.929 178.236 176.600 -0.489 0.000 0.982 68 E CA 0.580 56.445 56.400 -0.892 0.000 0.800 68 E CB 0.111 29.017 29.700 -1.322 0.000 0.756 68 E HN 0.384 nan 8.360 nan 0.000 0.449 69 H N 0.453 119.445 119.070 -0.131 0.000 2.387 69 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 69 H C 2.112 177.354 175.328 -0.142 0.000 1.099 69 H CA 1.586 57.632 56.048 -0.003 0.000 1.315 69 H CB -0.165 29.642 29.762 0.075 0.000 1.380 69 H HN 0.356 nan 8.280 nan 0.000 0.513 70 Q N 0.559 120.338 119.800 -0.035 0.000 2.046 70 Q HA -0.133 4.206 4.340 -0.000 0.000 0.200 70 Q C 1.883 177.777 176.000 -0.178 0.000 0.975 70 Q CA 0.923 56.680 55.803 -0.077 0.000 0.836 70 Q CB 0.189 28.907 28.738 -0.033 0.000 0.896 70 Q HN 0.313 nan 8.270 nan 0.000 0.428 71 N N 0.016 118.543 118.700 -0.288 0.000 2.094 71 N HA -0.164 4.575 4.740 -0.000 0.000 0.191 71 N C 1.793 176.933 175.510 -0.618 0.000 1.023 71 N CA 1.360 54.173 53.050 -0.394 0.000 0.857 71 N CB -0.475 37.505 38.487 -0.845 0.000 1.013 71 N HN 0.091 nan 8.380 nan 0.000 0.426 72 V N 1.403 120.817 119.914 -0.833 0.000 2.343 72 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 72 V C 2.333 178.177 176.094 -0.417 0.000 1.051 72 V CA 1.491 63.341 62.300 -0.750 0.000 1.036 72 V CB -0.328 30.968 31.823 -0.879 0.000 0.654 72 V HN 0.296 nan 8.190 nan 0.000 0.451 73 R N -0.481 119.863 120.500 -0.261 0.000 2.081 73 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 73 R C 2.424 178.633 176.300 -0.153 0.000 1.131 73 R CA 1.722 57.729 56.100 -0.155 0.000 0.960 73 R CB -0.347 29.898 30.300 -0.092 0.000 0.856 73 R HN 0.595 nan 8.270 nan 0.000 0.436 74 Q N 0.406 120.106 119.800 -0.166 0.000 2.050 74 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 74 Q C 2.206 178.122 176.000 -0.140 0.000 0.980 74 Q CA 1.269 56.941 55.803 -0.219 0.000 0.840 74 Q CB -0.159 28.343 28.738 -0.395 0.000 0.898 74 Q HN 0.179 nan 8.270 nan 0.000 0.424 75 L N 0.482 121.751 121.223 0.077 0.000 2.012 75 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 75 L C 1.970 178.798 176.870 -0.071 0.000 1.073 75 L CA 1.679 56.627 54.840 0.179 0.000 0.748 75 L CB -0.177 42.010 42.059 0.214 0.000 0.891 75 L HN 0.203 nan 8.230 nan 0.000 0.431 76 I N -0.973 119.481 120.570 -0.193 0.000 2.406 76 I HA -0.120 4.050 4.170 -0.000 0.000 0.249 76 I C 2.471 178.454 176.117 -0.224 0.000 1.122 76 I CA 0.978 62.112 61.300 -0.277 0.000 1.431 76 I CB -0.964 36.867 38.000 -0.281 0.000 1.087 76 I HN 0.376 nan 8.210 nan 0.000 0.424 77 G N 1.169 109.896 108.800 -0.120 0.000 2.476 77 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.218 77 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.218 77 G C 1.654 176.520 174.900 -0.058 0.000 1.164 77 G CA 1.403 46.465 45.100 -0.063 0.000 0.768 77 G HN 0.250 nan 8.290 nan 0.000 0.560 78 K N -0.064 120.286 120.400 -0.084 0.000 2.026 78 K HA -0.028 4.291 4.320 -0.000 0.000 0.208 78 K C 2.377 178.953 176.600 -0.041 0.000 1.048 78 K CA 1.264 57.517 56.287 -0.057 0.000 0.929 78 K CB -0.576 31.898 32.500 -0.044 0.000 0.713 78 K HN 0.223 nan 8.250 nan 0.000 0.439 79 L N 0.846 122.011 121.223 -0.098 0.000 2.021 79 L HA -0.230 4.109 4.340 -0.000 0.000 0.215 79 L C 1.591 178.439 176.870 -0.036 0.000 1.074 79 L CA 2.121 56.884 54.840 -0.128 0.000 0.760 79 L CB -0.695 41.176 42.059 -0.314 0.000 0.889 79 L HN 0.422 nan 8.230 nan 0.000 0.433 80 H N -1.386 117.675 119.070 -0.015 0.000 2.547 80 H HA 0.011 4.567 4.556 -0.000 0.000 0.266 80 H C 1.775 177.102 175.328 -0.002 0.000 0.988 80 H CA 0.336 56.379 56.048 -0.007 0.000 1.147 80 H CB 0.300 30.055 29.762 -0.012 0.000 1.365 80 H HN 0.559 nan 8.280 nan 0.000 0.589 81 E N 0.839 121.098 120.200 0.097 0.000 2.028 81 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 81 E C 1.668 178.299 176.600 0.051 0.000 0.988 81 E CA 0.892 57.324 56.400 0.054 0.000 0.799 81 E CB 0.188 29.902 29.700 0.023 0.000 0.755 81 E HN 0.396 nan 8.360 nan 0.000 0.447 82 R N -0.440 120.094 120.500 0.056 0.000 2.404 82 R HA 0.155 4.494 4.340 -0.000 0.000 0.237 82 R C 0.398 176.752 176.300 0.089 0.000 0.907 82 R CA 0.101 56.235 56.100 0.056 0.000 1.063 82 R CB 0.752 31.077 30.300 0.042 0.000 1.134 82 R HN 0.066 nan 8.270 nan 0.000 0.529 83 Q N 0.573 120.443 119.800 0.117 0.000 2.470 83 Q HA 0.078 4.417 4.340 -0.000 0.000 0.389 83 Q C 0.407 176.545 176.000 0.229 0.000 0.888 83 Q CA -0.137 55.761 55.803 0.158 0.000 1.106 83 Q CB 1.481 30.280 28.738 0.101 0.000 1.368 83 Q HN 0.195 nan 8.270 nan 0.000 0.403 84 Q N 1.237 121.150 119.800 0.189 0.000 2.152 84 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 84 Q C 0.403 176.406 176.000 0.005 0.000 0.985 84 Q CA 2.015 57.877 55.803 0.098 0.000 0.863 84 Q CB 0.108 28.861 28.738 0.025 0.000 0.904 84 Q HN 0.481 nan 8.270 nan 0.000 0.422 85 N N -0.560 118.239 118.700 0.164 0.000 2.268 85 N HA 0.130 4.870 4.740 -0.000 0.000 0.204 85 N C -1.036 174.506 175.510 0.053 0.000 1.124 85 N CA -0.359 52.788 53.050 0.162 0.000 0.838 85 N CB 0.996 39.646 38.487 0.271 0.000 0.994 85 N HN -0.049 nan 8.380 nan 0.000 0.489 86 V N 3.537 123.366 119.914 -0.142 0.000 2.529 86 V HA 0.073 4.193 4.120 -0.000 0.000 0.292 86 V C -1.760 174.284 176.094 -0.084 0.000 1.028 86 V CA -1.226 60.794 62.300 -0.467 0.000 1.074 86 V CB 0.261 31.873 31.823 -0.353 0.000 0.958 86 V HN 0.132 nan 8.190 nan 0.000 0.481 87 P HA 0.155 nan 4.420 nan 0.000 0.271 87 P C -0.769 176.611 177.300 0.133 0.000 1.216 87 P CA 0.035 63.174 63.100 0.067 0.000 0.771 87 P CB 0.996 32.782 31.700 0.144 0.000 0.864 88 V N 4.745 124.735 119.914 0.125 0.000 2.409 88 V HA 0.329 4.449 4.120 -0.000 0.000 0.291 88 V C -0.182 175.982 176.094 0.117 0.000 1.020 88 V CA -0.364 62.034 62.300 0.163 0.000 0.848 88 V CB 0.734 32.626 31.823 0.114 0.000 0.990 88 V HN 0.334 nan 8.190 nan 0.000 0.430 89 F N 4.874 124.812 119.950 -0.020 0.000 2.427 89 F HA 0.553 5.080 4.527 -0.000 0.000 0.346 89 F C -0.076 175.597 175.800 -0.213 0.000 1.120 89 F CA -0.859 57.061 58.000 -0.133 0.000 1.033 89 F CB 1.741 40.676 39.000 -0.108 0.000 1.126 89 F HN 0.334 nan 8.300 nan 0.000 0.462 90 L N 5.687 126.736 121.223 -0.290 0.000 2.278 90 L HA 0.389 4.729 4.340 -0.000 0.000 0.287 90 L C -0.747 175.991 176.870 -0.220 0.000 1.072 90 L CA -0.044 54.487 54.840 -0.516 0.000 0.819 90 L CB 0.191 42.025 42.059 -0.374 0.000 1.176 90 L HN 0.481 nan 8.230 nan 0.000 0.435 91 L N 6.993 128.086 121.223 -0.217 0.000 2.387 91 L HA 0.443 4.782 4.340 -0.000 0.000 0.267 91 L C 0.811 177.710 176.870 0.050 0.000 1.197 91 L CA -0.202 54.624 54.840 -0.024 0.000 1.070 91 L CB -0.609 41.437 42.059 -0.023 0.000 1.349 91 L HN 0.826 nan 8.230 nan 0.000 0.422 92 G N 0.728 109.656 108.800 0.212 0.000 2.735 92 G HA2 0.327 4.286 3.960 -0.000 0.000 0.301 92 G HA3 0.327 4.286 3.960 -0.000 0.000 0.301 92 G C -1.509 173.615 174.900 0.373 0.000 1.279 92 G CA -0.461 44.822 45.100 0.305 0.000 1.019 92 G HN 0.395 nan 8.290 nan 0.000 0.497 93 D N -1.162 119.362 120.400 0.207 0.000 2.295 93 D HA 0.223 4.863 4.640 -0.000 0.000 0.248 93 D C 1.524 177.689 176.300 -0.225 0.000 1.154 93 D CA -0.485 53.542 54.000 0.046 0.000 0.857 93 D CB 1.303 42.109 40.800 0.010 0.000 1.117 93 D HN 0.368 nan 8.370 nan 0.000 0.468 94 R N 2.992 123.134 120.500 -0.597 0.000 2.122 94 R HA -0.241 4.099 4.340 -0.000 0.000 0.236 94 R C 1.418 177.275 176.300 -0.738 0.000 1.129 94 R CA 1.995 57.252 56.100 -1.404 0.000 0.925 94 R CB -0.030 29.476 30.300 -1.323 0.000 0.850 94 R HN 0.639 nan 8.270 nan 0.000 0.431 95 E N -0.087 119.865 120.200 -0.413 0.000 2.038 95 E HA -0.215 4.134 4.350 -0.000 0.000 0.195 95 E C 2.136 178.620 176.600 -0.192 0.000 1.000 95 E CA 1.869 58.117 56.400 -0.254 0.000 0.803 95 E CB 0.064 29.666 29.700 -0.163 0.000 0.750 95 E HN 0.343 nan 8.360 nan 0.000 0.448 96 K N -0.014 120.294 120.400 -0.154 0.000 2.057 96 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 96 K C 2.161 178.710 176.600 -0.086 0.000 1.050 96 K CA 0.959 57.185 56.287 -0.102 0.000 0.935 96 K CB -0.076 32.374 32.500 -0.083 0.000 0.715 96 K HN 0.058 nan 8.250 nan 0.000 0.439 97 A N 1.346 124.118 122.820 -0.078 0.000 1.930 97 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 97 A C 2.054 179.633 177.584 -0.008 0.000 1.175 97 A CA 1.189 53.260 52.037 0.056 0.000 0.627 97 A CB -0.492 18.691 19.000 0.305 0.000 0.815 97 A HN 0.149 nan 8.150 nan 0.000 0.443 98 L N -1.118 120.020 121.223 -0.142 0.000 2.240 98 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 98 L C 2.980 179.795 176.870 -0.092 0.000 1.106 98 L CA 0.682 55.439 54.840 -0.139 0.000 0.793 98 L CB -0.468 41.469 42.059 -0.203 0.000 0.927 98 L HN 0.429 nan 8.230 nan 0.000 0.446 99 A N 0.434 123.202 122.820 -0.087 0.000 1.933 99 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 99 A C 2.334 179.898 177.584 -0.034 0.000 1.175 99 A CA 1.562 53.564 52.037 -0.059 0.000 0.628 99 A CB -0.491 18.474 19.000 -0.059 0.000 0.814 99 A HN 0.358 nan 8.150 nan 0.000 0.444 100 A N -1.454 121.355 122.820 -0.018 0.000 2.235 100 A HA 0.341 4.660 4.320 -0.000 0.000 0.208 100 A C 1.038 178.643 177.584 0.034 0.000 1.172 100 A CA 0.451 52.493 52.037 0.009 0.000 0.786 100 A CB -0.684 18.334 19.000 0.031 0.000 0.804 100 A HN 0.531 nan 8.150 nan 0.000 0.479 101 M N 2.332 121.942 119.600 0.016 0.000 2.307 101 M HA 0.319 4.799 4.480 -0.000 0.000 0.346 101 M C -0.672 175.647 176.300 0.031 0.000 1.552 101 M CA -0.044 55.272 55.300 0.026 0.000 1.116 101 M CB -0.362 32.222 32.600 -0.027 0.000 1.889 101 M HN 0.498 nan 8.290 nan 0.000 0.460 102 D N 2.752 123.189 120.400 0.061 0.000 2.768 102 D HA 0.329 4.969 4.640 -0.000 0.000 0.327 102 D C 0.081 176.422 176.300 0.069 0.000 1.302 102 D CA -0.726 53.304 54.000 0.049 0.000 0.897 102 D CB 0.567 41.387 40.800 0.033 0.000 1.420 102 D HN 0.509 nan 8.370 nan 0.000 0.494 103 R N -0.472 120.059 120.500 0.052 0.000 2.091 103 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 103 R C 0.817 177.157 176.300 0.067 0.000 1.136 103 R CA 1.759 57.892 56.100 0.055 0.000 0.959 103 R CB -0.406 29.916 30.300 0.037 0.000 0.856 103 R HN 0.496 nan 8.270 nan 0.000 0.437 104 D N 0.809 121.245 120.400 0.061 0.000 2.104 104 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 104 D C 1.852 178.213 176.300 0.102 0.000 0.994 104 D CA 0.983 55.022 54.000 0.065 0.000 0.830 104 D CB -0.205 40.623 40.800 0.047 0.000 0.959 104 D HN 0.075 nan 8.370 nan 0.000 0.452 105 L N 0.540 121.845 121.223 0.136 0.000 2.093 105 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 105 L C 2.158 179.164 176.870 0.226 0.000 1.085 105 L CA 1.266 56.233 54.840 0.213 0.000 0.755 105 L CB -0.341 41.873 42.059 0.258 0.000 0.904 105 L HN 0.006 nan 8.230 nan 0.000 0.435 106 L N -1.014 120.327 121.223 0.197 0.000 2.217 106 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 106 L C 2.348 179.285 176.870 0.112 0.000 1.107 106 L CA 0.709 55.657 54.840 0.181 0.000 0.783 106 L CB -0.394 41.758 42.059 0.156 0.000 0.919 106 L HN 0.276 nan 8.230 nan 0.000 0.442 107 E N 0.257 120.514 120.200 0.094 0.000 2.150 107 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 107 E C 2.241 178.896 176.600 0.091 0.000 0.985 107 E CA 0.926 57.369 56.400 0.072 0.000 0.814 107 E CB 0.015 29.749 29.700 0.057 0.000 0.752 107 E HN 0.391 nan 8.360 nan 0.000 0.466 108 L N -0.578 120.708 121.223 0.105 0.000 2.095 108 L HA 0.030 4.370 4.340 -0.000 0.000 0.204 108 L C 0.230 177.161 176.870 0.102 0.000 1.080 108 L CA 0.371 55.272 54.840 0.102 0.000 0.759 108 L CB 0.255 42.378 42.059 0.107 0.000 0.914 108 L HN -0.101 nan 8.230 nan 0.000 0.439 109 V N -0.021 119.933 119.914 0.067 0.000 2.444 109 V HA 0.149 4.269 4.120 -0.000 0.000 0.294 109 V C 0.002 175.975 176.094 -0.201 0.000 1.022 109 V CA -0.553 61.691 62.300 -0.092 0.000 0.850 109 V CB 1.782 33.443 31.823 -0.270 0.000 0.992 109 V HN 0.127 nan 8.190 nan 0.000 0.426 110 D N 2.015 122.282 120.400 -0.221 0.000 2.216 110 D HA 0.080 4.720 4.640 -0.000 0.000 0.208 110 D C 0.401 176.456 176.300 -0.408 0.000 0.960 110 D CA 0.812 54.681 54.000 -0.219 0.000 0.861 110 D CB 0.869 41.585 40.800 -0.140 0.000 0.985 110 D HN 0.508 nan 8.370 nan 0.000 0.493 111 E N -0.048 119.713 120.200 -0.732 0.000 2.308 111 E HA 0.331 4.681 4.350 -0.000 0.000 0.275 111 E C -1.200 174.817 176.600 -0.971 0.000 0.890 111 E CA -0.564 55.295 56.400 -0.901 0.000 0.754 111 E CB 2.096 30.833 29.700 -1.606 0.000 1.207 111 E HN -0.102 nan 8.360 nan 0.000 0.426 112 F N 0.940 120.572 119.950 -0.530 0.000 2.444 112 F HA 0.600 5.127 4.527 -0.000 0.000 0.342 112 F C 0.277 175.616 175.800 -0.768 0.000 1.121 112 F CA -0.737 56.880 58.000 -0.639 0.000 0.997 112 F CB 1.909 40.433 39.000 -0.794 0.000 1.130 112 F HN 0.391 nan 8.300 nan 0.000 0.454 113 A N 3.702 126.265 122.820 -0.429 0.000 2.357 113 A HA 0.513 4.833 4.320 -0.000 0.000 0.295 113 A C -1.663 175.881 177.584 -0.068 0.000 1.121 113 A CA -0.637 51.245 52.037 -0.258 0.000 0.742 113 A CB 0.332 19.363 19.000 0.052 0.000 1.181 113 A HN 0.903 nan 8.150 nan 0.000 0.454 114 W N 3.971 125.352 121.300 0.134 0.000 2.365 114 W HA 0.290 4.950 4.660 -0.000 0.000 0.371 114 W C 0.995 177.572 176.519 0.097 0.000 1.006 114 W CA -0.722 56.687 57.345 0.106 0.000 1.528 114 W CB 0.454 29.968 29.460 0.090 0.000 1.497 114 W HN 0.732 nan 8.180 nan 0.000 0.367 115 I N 2.822 123.574 120.570 0.302 0.000 2.335 115 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 115 I C 1.597 177.821 176.117 0.178 0.000 1.129 115 I CA 1.759 63.172 61.300 0.188 0.000 1.402 115 I CB -0.018 38.065 38.000 0.138 0.000 1.069 115 I HN 0.433 nan 8.210 nan 0.000 0.424 116 L N -0.643 120.705 121.223 0.208 0.000 2.628 116 L HA 0.160 4.499 4.340 -0.000 0.000 0.229 116 L C 1.149 178.108 176.870 0.149 0.000 1.137 116 L CA 0.241 55.190 54.840 0.182 0.000 0.909 116 L CB -0.227 41.956 42.059 0.207 0.000 1.137 116 L HN 0.221 nan 8.230 nan 0.000 0.470 117 E N -1.309 118.999 120.200 0.180 0.000 2.702 117 E HA 0.095 4.445 4.350 -0.000 0.000 0.225 117 E C -0.523 176.185 176.600 0.181 0.000 0.942 117 E CA -0.087 56.416 56.400 0.171 0.000 1.210 117 E CB 1.187 31.013 29.700 0.209 0.000 1.143 117 E HN 0.135 nan 8.360 nan 0.000 0.544 118 D N -0.018 120.481 120.400 0.165 0.000 2.493 118 D HA 0.270 4.909 4.640 -0.000 0.000 0.239 118 D C -0.799 175.535 176.300 0.057 0.000 1.049 118 D CA -0.435 53.660 54.000 0.158 0.000 1.008 118 D CB 1.968 42.878 40.800 0.184 0.000 1.398 118 D HN -0.283 nan 8.370 nan 0.000 0.513 119 T N 1.055 115.592 114.554 -0.029 0.000 2.771 119 T HA 0.466 4.816 4.350 -0.000 0.000 0.291 119 T C 1.245 175.837 174.700 -0.179 0.000 0.954 119 T CA -0.045 61.892 62.100 -0.273 0.000 1.045 119 T CB 1.433 69.772 68.868 -0.881 0.000 0.917 119 T HN 0.417 nan 8.240 nan 0.000 0.484 120 A N 3.461 126.208 122.820 -0.121 0.000 1.903 120 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 120 A C 2.064 179.612 177.584 -0.060 0.000 1.191 120 A CA 1.880 53.878 52.037 -0.065 0.000 0.638 120 A CB -0.521 18.445 19.000 -0.057 0.000 0.823 120 A HN 0.809 nan 8.150 nan 0.000 0.451 121 D N -0.880 119.446 120.400 -0.122 0.000 2.149 121 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 121 D C 1.650 178.023 176.300 0.122 0.000 0.990 121 D CA 1.153 55.127 54.000 -0.044 0.000 0.839 121 D CB -0.411 40.337 40.800 -0.086 0.000 0.948 121 D HN 0.457 nan 8.370 nan 0.000 0.460 122 F N 0.897 120.857 119.950 0.017 0.000 2.146 122 F HA -0.022 4.505 4.527 -0.000 0.000 0.298 122 F C 2.493 178.311 175.800 0.030 0.000 1.096 122 F CA 0.067 58.082 58.000 0.024 0.000 1.275 122 F CB -1.092 37.926 39.000 0.030 0.000 1.008 122 F HN -0.037 nan 8.300 nan 0.000 0.480 123 I N -0.049 120.650 120.570 0.215 0.000 2.226 123 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 123 I C 2.627 178.768 176.117 0.040 0.000 1.100 123 I CA 1.199 62.579 61.300 0.134 0.000 1.374 123 I CB -0.862 37.189 38.000 0.085 0.000 1.057 123 I HN 0.055 nan 8.210 nan 0.000 0.413 124 A N 1.089 123.917 122.820 0.013 0.000 1.908 124 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 124 A C 2.450 180.032 177.584 -0.004 0.000 1.181 124 A CA 2.032 54.048 52.037 -0.035 0.000 0.627 124 A CB -1.467 17.519 19.000 -0.024 0.000 0.818 124 A HN 0.468 nan 8.150 nan 0.000 0.445 125 G N -1.034 107.804 108.800 0.063 0.000 2.408 125 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 125 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 125 G C 1.759 176.703 174.900 0.074 0.000 1.150 125 G CA 0.727 45.870 45.100 0.071 0.000 0.776 125 G HN 0.505 nan 8.290 nan 0.000 0.542 126 R N 0.334 120.900 120.500 0.111 0.000 2.092 126 R HA 0.024 4.364 4.340 -0.000 0.000 0.231 126 R C 2.996 179.427 176.300 0.218 0.000 1.119 126 R CA 1.114 57.322 56.100 0.180 0.000 0.970 126 R CB -0.334 30.123 30.300 0.263 0.000 0.864 126 R HN 0.362 nan 8.270 nan 0.000 0.440 127 A N 0.560 123.383 122.820 0.005 0.000 1.898 127 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 127 A C 2.339 179.885 177.584 -0.064 0.000 1.181 127 A CA 1.109 52.991 52.037 -0.257 0.000 0.620 127 A CB -0.461 18.177 19.000 -0.603 0.000 0.819 127 A HN 0.100 nan 8.150 nan 0.000 0.442 128 V N -0.057 119.841 119.914 -0.028 0.000 2.295 128 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 128 V C 3.075 179.195 176.094 0.043 0.000 1.049 128 V CA 1.981 64.284 62.300 0.005 0.000 1.024 128 V CB -1.176 30.651 31.823 0.007 0.000 0.648 128 V HN 0.620 nan 8.190 nan 0.000 0.447 129 A N -0.049 122.808 122.820 0.062 0.000 1.883 129 A HA -0.177 4.142 4.320 -0.000 0.000 0.217 129 A C 2.442 180.085 177.584 0.097 0.000 1.186 129 A CA 2.284 54.364 52.037 0.072 0.000 0.624 129 A CB -0.894 18.149 19.000 0.072 0.000 0.822 129 A HN 0.595 nan 8.150 nan 0.000 0.444 130 A N -0.538 122.367 122.820 0.142 0.000 1.908 130 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 130 A C 2.274 179.955 177.584 0.161 0.000 1.181 130 A CA 1.961 54.103 52.037 0.174 0.000 0.627 130 A CB -0.561 18.623 19.000 0.307 0.000 0.818 130 A HN 0.561 nan 8.150 nan 0.000 0.445 131 M N -1.225 118.451 119.600 0.126 0.000 2.200 131 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 131 M C 2.197 178.593 176.300 0.160 0.000 1.066 131 M CA 1.695 57.084 55.300 0.149 0.000 1.127 131 M CB -0.650 31.999 32.600 0.082 0.000 1.379 131 M HN 0.390 nan 8.290 nan 0.000 0.420 132 T N 0.231 114.845 114.554 0.100 0.000 2.708 132 T HA -0.158 4.191 4.350 -0.000 0.000 0.266 132 T C 1.838 176.578 174.700 0.068 0.000 1.037 132 T CA 1.348 63.489 62.100 0.068 0.000 1.146 132 T CB -0.307 68.588 68.868 0.045 0.000 0.865 132 T HN 0.383 nan 8.240 nan 0.000 0.435 133 R N -0.420 120.133 120.500 0.088 0.000 2.081 133 R HA -0.147 4.192 4.340 -0.000 0.000 0.235 133 R C 2.332 178.693 176.300 0.101 0.000 1.131 133 R CA 1.442 57.589 56.100 0.078 0.000 0.960 133 R CB -0.484 29.868 30.300 0.086 0.000 0.856 133 R HN 0.495 nan 8.270 nan 0.000 0.436 134 Y N 1.117 121.433 120.300 0.027 0.000 2.114 134 Y HA -0.162 4.388 4.550 -0.000 0.000 0.284 134 Y C 2.423 178.333 175.900 0.017 0.000 1.143 134 Y CA 1.554 59.670 58.100 0.027 0.000 1.135 134 Y CB -0.330 38.156 38.460 0.044 0.000 0.980 134 Y HN -0.079 nan 8.280 nan 0.000 0.499 135 R N 0.556 120.986 120.500 -0.116 0.000 2.127 135 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 135 R C 2.116 178.312 176.300 -0.173 0.000 1.134 135 R CA 1.998 57.982 56.100 -0.194 0.000 0.975 135 R CB -0.304 29.978 30.300 -0.029 0.000 0.865 135 R HN 0.602 nan 8.270 nan 0.000 0.447 136 Q N -0.294 119.443 119.800 -0.105 0.000 2.230 136 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 136 Q C 1.507 177.439 176.000 -0.113 0.000 0.963 136 Q CA 1.455 57.204 55.803 -0.089 0.000 0.866 136 Q CB 0.192 28.902 28.738 -0.047 0.000 0.931 136 Q HN 0.411 nan 8.270 nan 0.000 0.452 137 Q N -0.634 119.083 119.800 -0.139 0.000 2.282 137 Q HA 0.040 4.380 4.340 -0.000 0.000 0.206 137 Q C 1.427 177.313 176.000 -0.191 0.000 0.878 137 Q CA 0.102 55.823 55.803 -0.138 0.000 0.944 137 Q CB -0.066 28.621 28.738 -0.085 0.000 1.100 137 Q HN 0.163 nan 8.270 nan 0.000 0.509 138 L N 0.251 121.308 121.223 -0.276 0.000 2.012 138 L HA 0.081 4.421 4.340 -0.000 0.000 0.210 138 L C 0.343 177.138 176.870 -0.125 0.000 1.073 138 L CA 1.591 56.258 54.840 -0.288 0.000 0.748 138 L CB -0.111 41.735 42.059 -0.354 0.000 0.891 138 L HN 0.363 nan 8.230 nan 0.000 0.431 139 L N 0.904 122.070 121.223 -0.095 0.000 2.357 139 L HA 0.349 4.689 4.340 -0.000 0.000 0.273 139 L C -1.886 174.967 176.870 -0.028 0.000 1.080 139 L CA -2.156 52.681 54.840 -0.006 0.000 0.803 139 L CB 0.315 42.361 42.059 -0.022 0.000 1.174 139 L HN 0.044 nan 8.230 nan 0.000 0.443 140 P HA 0.111 nan 4.420 nan 0.000 0.272 140 P C -2.271 175.004 177.300 -0.042 0.000 1.240 140 P CA -1.336 61.761 63.100 -0.005 0.000 0.791 140 P CB 0.068 31.896 31.700 0.213 0.000 0.978 141 P HA -0.115 nan 4.420 nan 0.000 0.218 141 P C 1.520 178.753 177.300 -0.112 0.000 1.149 141 P CA 0.931 63.956 63.100 -0.127 0.000 0.817 141 P CB 0.082 31.696 31.700 -0.143 0.000 0.785 142 L N -1.177 120.004 121.223 -0.070 0.000 2.084 142 L HA 0.061 4.401 4.340 -0.000 0.000 0.202 142 L C 2.442 179.267 176.870 -0.074 0.000 1.074 142 L CA 1.419 56.158 54.840 -0.168 0.000 0.757 142 L CB -1.758 40.169 42.059 -0.220 0.000 0.918 142 L HN -0.217 nan 8.230 nan 0.000 0.444 143 F N -0.064 119.823 119.950 -0.106 0.000 2.126 143 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 143 F C 2.798 178.560 175.800 -0.063 0.000 1.096 143 F CA 1.683 59.644 58.000 -0.066 0.000 1.255 143 F CB -1.049 37.938 39.000 -0.021 0.000 0.997 143 F HN 0.261 nan 8.300 nan 0.000 0.479 144 S N 0.132 115.664 115.700 -0.279 0.000 2.365 144 S HA -0.249 4.221 4.470 -0.000 0.000 0.225 144 S C 2.323 176.765 174.600 -0.263 0.000 1.039 144 S CA 1.748 59.739 58.200 -0.348 0.000 1.033 144 S CB -0.956 62.120 63.200 -0.206 0.000 0.887 144 S HN 0.560 nan 8.310 nan 0.000 0.447 145 A N 0.852 123.558 122.820 -0.190 0.000 1.930 145 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 145 A C 2.249 179.777 177.584 -0.093 0.000 1.175 145 A CA 1.205 53.158 52.037 -0.141 0.000 0.627 145 A CB -0.694 18.202 19.000 -0.173 0.000 0.815 145 A HN 0.568 nan 8.150 nan 0.000 0.443 146 L N -1.220 119.931 121.223 -0.119 0.000 2.017 146 L HA -0.221 4.118 4.340 -0.000 0.000 0.208 146 L C 2.826 179.711 176.870 0.025 0.000 1.073 146 L CA 1.944 56.778 54.840 -0.010 0.000 0.745 146 L CB -0.357 41.733 42.059 0.051 0.000 0.894 146 L HN 0.578 nan 8.230 nan 0.000 0.432 147 M N -0.220 119.301 119.600 -0.132 0.000 2.065 147 M HA -0.291 4.189 4.480 -0.000 0.000 0.259 147 M C 2.323 178.582 176.300 -0.067 0.000 1.071 147 M CA 1.949 57.155 55.300 -0.156 0.000 1.109 147 M CB -0.057 32.281 32.600 -0.437 0.000 1.313 147 M HN 0.019 nan 8.290 nan 0.000 0.408 148 K N -0.934 119.418 120.400 -0.081 0.000 2.063 148 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 148 K C 1.867 178.483 176.600 0.025 0.000 1.048 148 K CA 2.006 58.275 56.287 -0.030 0.000 0.928 148 K CB -0.463 32.015 32.500 -0.036 0.000 0.713 148 K HN 0.419 nan 8.250 nan 0.000 0.442 149 Y N 1.110 121.381 120.300 -0.047 0.000 2.293 149 Y HA -0.190 4.359 4.550 -0.000 0.000 0.291 149 Y C 2.413 178.325 175.900 0.020 0.000 1.137 149 Y CA 1.502 59.588 58.100 -0.025 0.000 1.202 149 Y CB -0.201 38.223 38.460 -0.060 0.000 0.990 149 Y HN 0.096 nan 8.280 nan 0.000 0.537 150 S N -1.042 114.681 115.700 0.038 0.000 2.474 150 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 150 S C 1.397 176.045 174.600 0.081 0.000 0.997 150 S CA 1.352 59.611 58.200 0.098 0.000 0.949 150 S CB -0.367 62.981 63.200 0.248 0.000 0.766 150 S HN 0.440 nan 8.310 nan 0.000 0.517 151 D N 1.118 121.520 120.400 0.003 0.000 2.355 151 D HA 0.149 4.789 4.640 -0.000 0.000 0.218 151 D C 1.343 177.626 176.300 -0.028 0.000 1.004 151 D CA 0.745 54.751 54.000 0.010 0.000 0.880 151 D CB 0.207 41.006 40.800 -0.002 0.000 0.911 151 D HN 0.782 nan 8.370 nan 0.000 0.528 152 I N -3.558 116.941 120.570 -0.119 0.000 4.526 152 I HA 0.216 4.386 4.170 -0.000 0.000 0.330 152 I C 0.533 176.525 176.117 -0.209 0.000 1.323 152 I CA -0.425 60.793 61.300 -0.136 0.000 1.218 152 I CB -0.278 37.646 38.000 -0.127 0.000 1.233 152 I HN -0.276 nan 8.210 nan 0.000 0.430 153 H N 3.149 121.923 119.070 -0.493 0.000 2.928 153 H HA 0.300 4.856 4.556 -0.000 0.000 0.338 153 H C 0.078 175.185 175.328 -0.369 0.000 1.047 153 H CA 0.267 55.938 56.048 -0.628 0.000 1.435 153 H CB 0.627 29.846 29.762 -0.904 0.000 1.428 153 H HN 0.287 nan 8.280 nan 0.000 0.590 154 E N 4.505 124.268 120.200 -0.729 0.000 2.003 154 E HA 0.039 4.388 4.350 -0.000 0.000 0.279 154 E C -0.224 175.836 176.600 -0.900 0.000 1.132 154 E CA 0.056 56.120 56.400 -0.560 0.000 0.888 154 E CB -0.382 29.183 29.700 -0.226 0.000 1.056 154 E HN 0.670 nan 8.360 nan 0.000 0.399 155 Y N 1.908 121.906 120.300 -0.503 0.000 2.207 155 Y HA -0.143 4.407 4.550 -0.000 0.000 0.287 155 Y C 1.309 177.041 175.900 -0.279 0.000 1.156 155 Y CA 1.112 59.044 58.100 -0.281 0.000 1.182 155 Y CB -0.073 38.335 38.460 -0.087 0.000 0.979 155 Y HN 0.301 nan 8.280 nan 0.000 0.521 156 S N -1.597 113.920 115.700 -0.305 0.000 2.587 156 S HA -0.098 4.372 4.470 -0.000 0.000 0.260 156 S C -0.054 174.247 174.600 -0.499 0.000 1.353 156 S CA 0.338 58.130 58.200 -0.681 0.000 0.995 156 S CB -0.186 62.220 63.200 -1.323 0.000 0.912 156 S HN 0.639 nan 8.310 nan 0.000 0.568 157 W N -2.236 119.065 121.300 0.001 0.000 2.062 157 W HA -0.244 4.416 4.660 -0.000 0.000 0.257 157 W C 0.215 176.739 176.519 0.009 0.000 1.024 157 W CA 0.198 57.543 57.345 -0.000 0.000 0.471 157 W CB -1.933 27.523 29.460 -0.006 0.000 2.039 157 W HN 0.846 nan 8.180 nan 0.000 1.321 158 A N -0.273 122.625 122.820 0.130 0.000 2.583 158 A HA 0.942 5.262 4.320 -0.000 0.000 0.289 158 A C -0.298 177.311 177.584 0.041 0.000 1.151 158 A CA -0.429 51.665 52.037 0.096 0.000 0.695 158 A CB 0.522 19.590 19.000 0.114 0.000 1.290 158 A HN 0.912 nan 8.150 nan 0.000 0.419 159 A N 0.567 123.403 122.820 0.028 0.000 2.332 159 A HA 0.671 4.991 4.320 -0.000 0.000 0.258 159 A C -2.430 175.146 177.584 -0.014 0.000 1.087 159 A CA -1.137 50.891 52.037 -0.014 0.000 0.802 159 A CB -0.794 18.200 19.000 -0.010 0.000 1.042 159 A HN 0.515 nan 8.150 nan 0.000 0.489 160 P HA 0.167 nan 4.420 nan 0.000 0.268 160 P C 1.047 178.191 177.300 -0.260 0.000 1.205 160 P CA 0.438 63.428 63.100 -0.183 0.000 0.771 160 P CB 0.616 32.125 31.700 -0.319 0.000 0.858 161 G N 1.768 110.463 108.800 -0.176 0.000 2.509 161 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.218 161 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.218 161 G C 1.050 175.838 174.900 -0.188 0.000 1.124 161 G CA 0.721 45.734 45.100 -0.145 0.000 0.776 161 G HN 0.733 nan 8.290 nan 0.000 0.547 162 H N -1.323 117.661 119.070 -0.144 0.000 2.521 162 H HA 0.113 4.669 4.556 -0.000 0.000 0.286 162 H C 0.762 176.007 175.328 -0.139 0.000 1.034 162 H CA 0.758 56.644 56.048 -0.269 0.000 1.278 162 H CB -0.179 29.289 29.762 -0.490 0.000 1.386 162 H HN 0.217 nan 8.280 nan 0.000 0.567 163 Q N 0.415 120.086 119.800 -0.216 0.000 2.455 163 Q HA -0.152 4.187 4.340 -0.000 0.000 0.343 163 Q C 1.030 176.991 176.000 -0.065 0.000 1.458 163 Q CA 1.055 56.818 55.803 -0.067 0.000 0.923 163 Q CB -2.337 26.341 28.738 -0.100 0.000 1.149 163 Q HN 1.133 nan 8.270 nan 0.000 0.357 164 G N -0.899 107.875 108.800 -0.043 0.000 2.283 164 G HA2 -0.077 3.882 3.960 -0.000 0.000 0.280 164 G HA3 -0.077 3.882 3.960 -0.000 0.000 0.280 164 G C 0.960 175.947 174.900 0.145 0.000 1.029 164 G CA 1.231 46.166 45.100 -0.275 0.000 0.840 164 G HN 1.891 nan 8.290 nan 0.000 0.505 165 G N -3.104 105.968 108.800 0.452 0.000 2.213 165 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.236 165 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.236 165 G C 1.325 176.261 174.900 0.060 0.000 0.991 165 G CA 0.968 46.194 45.100 0.210 0.000 0.629 165 G HN 1.383 nan 8.290 nan 0.000 0.517 166 V N 1.431 121.335 119.914 -0.016 0.000 2.407 166 V HA 0.017 4.137 4.120 -0.000 0.000 0.248 166 V C 3.059 179.070 176.094 -0.138 0.000 1.055 166 V CA 3.156 65.385 62.300 -0.119 0.000 1.049 166 V CB -0.962 30.795 31.823 -0.109 0.000 0.662 166 V HN 0.731 nan 8.190 nan 0.000 0.455 167 G N -0.619 108.086 108.800 -0.159 0.000 2.422 167 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 167 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 167 G C 1.413 176.179 174.900 -0.222 0.000 1.146 167 G CA 0.763 45.731 45.100 -0.221 0.000 0.769 167 G HN 0.467 nan 8.290 nan 0.000 0.547 168 F N 1.820 121.708 119.950 -0.102 0.000 2.202 168 F HA -0.096 4.431 4.527 -0.000 0.000 0.301 168 F C 3.140 178.892 175.800 -0.081 0.000 1.082 168 F CA 1.606 59.559 58.000 -0.077 0.000 1.313 168 F CB -0.920 38.032 39.000 -0.078 0.000 1.024 168 F HN 0.225 nan 8.300 nan 0.000 0.495 169 T N -2.304 112.239 114.554 -0.018 0.000 3.051 169 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 169 T C 1.618 176.305 174.700 -0.023 0.000 1.127 169 T CA 0.836 62.890 62.100 -0.078 0.000 1.107 169 T CB -0.411 68.327 68.868 -0.216 0.000 0.898 169 T HN 0.276 nan 8.240 nan 0.000 0.517 170 K N 1.574 121.962 120.400 -0.020 0.000 2.432 170 K HA 0.072 4.392 4.320 -0.000 0.000 0.196 170 K C 0.997 177.600 176.600 0.005 0.000 1.038 170 K CA 0.742 57.017 56.287 -0.019 0.000 0.986 170 K CB 0.117 32.593 32.500 -0.039 0.000 0.782 170 K HN 0.648 nan 8.250 nan 0.000 0.485 171 T N -2.819 111.755 114.554 0.033 0.000 2.924 171 T HA 0.283 4.633 4.350 -0.000 0.000 0.291 171 T C -2.445 172.298 174.700 0.071 0.000 1.045 171 T CA -2.277 59.849 62.100 0.043 0.000 1.015 171 T CB 2.102 70.995 68.868 0.041 0.000 1.103 171 T HN -0.318 nan 8.240 nan 0.000 0.496 172 P HA -0.003 nan 4.420 nan 0.000 0.215 172 P C 1.588 178.974 177.300 0.143 0.000 1.153 172 P CA 1.465 64.620 63.100 0.093 0.000 0.853 172 P CB -0.221 31.517 31.700 0.063 0.000 0.788 173 A N -0.246 122.642 122.820 0.113 0.000 1.929 173 A HA 0.011 4.330 4.320 -0.000 0.000 0.216 173 A C 2.484 180.202 177.584 0.225 0.000 1.176 173 A CA 1.794 53.911 52.037 0.134 0.000 0.628 173 A CB -1.809 17.224 19.000 0.056 0.000 0.816 173 A HN 0.269 nan 8.150 nan 0.000 0.444 174 G N -0.378 108.542 108.800 0.201 0.000 2.432 174 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 174 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 174 G C 1.700 176.805 174.900 0.341 0.000 1.135 174 G CA 1.257 46.533 45.100 0.293 0.000 0.767 174 G HN 0.518 nan 8.290 nan 0.000 0.550 175 R N -0.055 120.591 120.500 0.243 0.000 2.093 175 R HA 0.121 4.461 4.340 -0.000 0.000 0.224 175 R C 2.047 178.486 176.300 0.232 0.000 1.101 175 R CA 0.811 57.026 56.100 0.192 0.000 0.979 175 R CB -1.006 29.359 30.300 0.109 0.000 0.877 175 R HN 0.315 nan 8.270 nan 0.000 0.441 176 F N 0.116 120.152 119.950 0.143 0.000 2.069 176 F HA -0.229 4.297 4.527 -0.000 0.000 0.298 176 F C 1.969 177.873 175.800 0.172 0.000 1.113 176 F CA 2.031 60.110 58.000 0.131 0.000 1.214 176 F CB -0.678 38.375 39.000 0.088 0.000 0.978 176 F HN 0.174 nan 8.300 nan 0.000 0.474 177 Y N 0.480 120.973 120.300 0.322 0.000 2.081 177 Y HA -0.374 4.176 4.550 -0.000 0.000 0.280 177 Y C 2.928 178.947 175.900 0.198 0.000 1.163 177 Y CA 2.506 60.746 58.100 0.234 0.000 1.135 177 Y CB -1.332 37.211 38.460 0.139 0.000 0.970 177 Y HN 0.332 nan 8.280 nan 0.000 0.498 178 H N -0.143 118.848 119.070 -0.131 0.000 2.319 178 H HA -0.163 4.392 4.556 -0.000 0.000 0.299 178 H C 1.386 176.669 175.328 -0.075 0.000 1.092 178 H CA 2.190 58.076 56.048 -0.269 0.000 1.302 178 H CB -0.270 29.382 29.762 -0.184 0.000 1.373 178 H HN 0.422 nan 8.280 nan 0.000 0.497 179 D N -0.373 120.023 120.400 -0.007 0.000 2.183 179 D HA -0.122 4.518 4.640 -0.000 0.000 0.203 179 D C 2.022 178.189 176.300 -0.222 0.000 0.969 179 D CA 0.588 54.532 54.000 -0.092 0.000 0.842 179 D CB -0.607 40.143 40.800 -0.082 0.000 0.957 179 D HN 0.452 nan 8.370 nan 0.000 0.484 180 Y N -0.073 119.970 120.300 -0.428 0.000 2.200 180 Y HA -0.251 4.299 4.550 -0.000 0.000 0.290 180 Y C 1.697 177.280 175.900 -0.529 0.000 1.137 180 Y CA 1.588 59.384 58.100 -0.507 0.000 1.163 180 Y CB -0.248 37.898 38.460 -0.524 0.000 0.988 180 Y HN -0.030 nan 8.280 nan 0.000 0.518 181 Y N 0.172 120.349 120.300 -0.204 0.000 2.519 181 Y HA 0.260 4.810 4.550 -0.000 0.000 0.287 181 Y C 1.346 177.047 175.900 -0.331 0.000 1.128 181 Y CA 0.483 58.402 58.100 -0.303 0.000 1.282 181 Y CB -0.117 38.093 38.460 -0.416 0.000 1.027 181 Y HN 0.183 nan 8.280 nan 0.000 0.551 182 G N 1.161 109.851 108.800 -0.184 0.000 2.716 182 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.686 182 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.686 182 G C 0.498 175.305 174.900 -0.154 0.000 1.337 182 G CA -0.051 44.934 45.100 -0.191 0.000 0.829 182 G HN 0.484 nan 8.290 nan 0.000 0.599 183 E N 0.457 120.601 120.200 -0.094 0.000 2.204 183 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 183 E C 1.847 178.509 176.600 0.104 0.000 0.989 183 E CA 1.065 57.516 56.400 0.085 0.000 0.824 183 E CB -0.069 29.724 29.700 0.155 0.000 0.756 183 E HN 0.387 nan 8.360 nan 0.000 0.477 184 N N 1.082 119.790 118.700 0.013 0.000 2.166 184 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 184 N C 1.845 177.348 175.510 -0.012 0.000 1.019 184 N CA 0.880 53.952 53.050 0.037 0.000 0.856 184 N CB -0.345 38.169 38.487 0.045 0.000 0.993 184 N HN 0.210 nan 8.380 nan 0.000 0.426 185 L N 0.452 121.557 121.223 -0.196 0.000 2.013 185 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 185 L C 1.640 178.313 176.870 -0.328 0.000 1.073 185 L CA 1.735 56.353 54.840 -0.370 0.000 0.753 185 L CB -0.821 40.810 42.059 -0.712 0.000 0.890 185 L HN -0.005 nan 8.230 nan 0.000 0.432 186 F N -0.536 119.431 119.950 0.028 0.000 2.367 186 F HA 0.019 4.546 4.527 -0.000 0.000 0.298 186 F C 2.535 178.467 175.800 0.220 0.000 1.094 186 F CA 0.904 58.982 58.000 0.130 0.000 1.409 186 F CB -0.620 38.428 39.000 0.080 0.000 1.064 186 F HN -0.006 nan 8.300 nan 0.000 0.528 187 R N -0.121 120.544 120.500 0.274 0.000 2.090 187 R HA -0.070 4.270 4.340 -0.000 0.000 0.228 187 R C 2.079 178.646 176.300 0.445 0.000 1.110 187 R CA 1.754 58.002 56.100 0.248 0.000 0.973 187 R CB -0.862 29.553 30.300 0.192 0.000 0.869 187 R HN 0.338 nan 8.270 nan 0.000 0.440 188 T N -1.618 113.127 114.554 0.318 0.000 3.160 188 T HA -0.052 4.298 4.350 -0.000 0.000 0.257 188 T C 0.571 175.483 174.700 0.352 0.000 1.147 188 T CA 0.227 62.527 62.100 0.334 0.000 1.064 188 T CB -0.036 68.997 68.868 0.276 0.000 0.949 188 T HN -0.095 nan 8.240 nan 0.000 0.526 189 D N 1.712 122.316 120.400 0.340 0.000 2.508 189 D HA 0.289 4.928 4.640 -0.000 0.000 0.224 189 D C -0.360 176.102 176.300 0.270 0.000 1.171 189 D CA -0.137 54.033 54.000 0.283 0.000 1.006 189 D CB -0.399 40.630 40.800 0.381 0.000 1.073 189 D HN 0.430 nan 8.370 nan 0.000 0.513 190 M N 1.141 120.833 119.600 0.154 0.000 2.472 190 M HA 0.493 4.973 4.480 -0.000 0.000 0.331 190 M C 1.147 177.378 176.300 -0.114 0.000 1.170 190 M CA -0.986 54.380 55.300 0.109 0.000 1.009 190 M CB 2.092 34.742 32.600 0.084 0.000 1.672 190 M HN 0.172 nan 8.290 nan 0.000 0.453 191 G N 0.925 109.713 108.800 -0.019 0.000 2.489 191 G HA2 0.359 4.319 3.960 -0.000 0.000 0.271 191 G HA3 0.359 4.319 3.960 -0.000 0.000 0.271 191 G C -0.374 174.535 174.900 0.015 0.000 1.427 191 G CA -0.752 44.316 45.100 -0.053 0.000 1.057 191 G HN 0.773 nan 8.290 nan 0.000 0.532 192 I N 0.414 121.005 120.570 0.035 0.000 2.671 192 I HA 0.038 4.208 4.170 -0.000 0.000 0.285 192 I C -0.295 175.872 176.117 0.084 0.000 1.148 192 I CA 0.164 61.508 61.300 0.073 0.000 1.386 192 I CB 0.243 38.263 38.000 0.035 0.000 1.406 192 I HN 0.169 nan 8.210 nan 0.000 0.540 193 E N 8.057 128.300 120.200 0.073 0.000 2.751 193 E HA 0.189 4.539 4.350 -0.000 0.000 0.219 193 E C 0.554 177.113 176.600 -0.069 0.000 1.060 193 E CA -0.197 56.208 56.400 0.008 0.000 0.893 193 E CB 0.819 30.467 29.700 -0.086 0.000 1.300 193 E HN 0.670 nan 8.360 nan 0.000 0.433 194 R N 0.291 120.789 120.500 -0.005 0.000 2.062 194 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 194 R C 2.054 178.338 176.300 -0.027 0.000 1.136 194 R CA 2.101 58.195 56.100 -0.011 0.000 0.948 194 R CB -0.148 30.157 30.300 0.008 0.000 0.845 194 R HN 0.354 nan 8.270 nan 0.000 0.430 195 T N -1.674 112.873 114.554 -0.013 0.000 2.977 195 T HA -0.054 4.296 4.350 -0.000 0.000 0.271 195 T C 1.705 176.384 174.700 -0.036 0.000 1.105 195 T CA 1.637 63.732 62.100 -0.008 0.000 1.116 195 T CB 0.008 68.887 68.868 0.019 0.000 0.878 195 T HN 0.128 nan 8.240 nan 0.000 0.509 196 S N 1.231 116.869 115.700 -0.104 0.000 2.431 196 S HA 0.305 4.775 4.470 -0.000 0.000 0.210 196 S C 1.628 176.105 174.600 -0.204 0.000 1.013 196 S CA -0.049 58.047 58.200 -0.173 0.000 0.920 196 S CB -0.476 62.500 63.200 -0.372 0.000 0.882 196 S HN 0.218 nan 8.310 nan 0.000 0.567 197 L N 1.513 122.563 121.223 -0.289 0.000 2.270 197 L HA 0.318 4.657 4.340 -0.000 0.000 0.210 197 L C 1.521 178.422 176.870 0.051 0.000 1.104 197 L CA 1.408 56.137 54.840 -0.187 0.000 0.804 197 L CB -1.587 40.345 42.059 -0.211 0.000 0.937 197 L HN 0.639 nan 8.230 nan 0.000 0.450 198 G N -0.815 108.021 108.800 0.060 0.000 2.527 198 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.227 198 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.227 198 G C -0.288 174.644 174.900 0.053 0.000 1.291 198 G CA -0.104 45.056 45.100 0.099 0.000 0.904 198 G HN 0.513 nan 8.290 nan 0.000 0.577 199 S N -1.354 114.277 115.700 -0.116 0.000 2.575 199 S HA 0.552 5.021 4.470 -0.000 0.000 0.278 199 S C 0.857 174.981 174.600 -0.794 0.000 1.139 199 S CA 0.519 58.424 58.200 -0.491 0.000 0.954 199 S CB 1.583 64.650 63.200 -0.222 0.000 1.054 199 S HN 2.007 nan 8.310 nan 0.000 0.483 200 L N 5.040 125.490 121.223 -1.288 0.000 2.012 200 L HA 0.093 4.433 4.340 -0.000 0.000 0.210 200 L C 1.577 178.026 176.870 -0.701 0.000 1.073 200 L CA 2.043 56.373 54.840 -0.851 0.000 0.748 200 L CB -0.708 41.049 42.059 -0.504 0.000 0.891 200 L HN 0.785 nan 8.230 nan 0.000 0.431 201 L N -0.482 120.470 121.223 -0.451 0.000 2.291 201 L HA -0.095 4.245 4.340 -0.000 0.000 0.214 201 L C 1.785 178.483 176.870 -0.286 0.000 1.120 201 L CA 1.286 55.943 54.840 -0.305 0.000 0.799 201 L CB -0.860 41.190 42.059 -0.015 0.000 0.925 201 L HN 0.320 nan 8.230 nan 0.000 0.446 202 D N -2.001 118.266 120.400 -0.222 0.000 2.354 202 D HA 0.017 4.657 4.640 -0.000 0.000 0.209 202 D C 0.189 176.594 176.300 0.175 0.000 1.015 202 D CA 0.164 54.210 54.000 0.076 0.000 0.867 202 D CB 0.047 40.876 40.800 0.048 0.000 0.933 202 D HN 0.337 nan 8.370 nan 0.000 0.520 203 H N 0.121 119.185 119.070 -0.009 0.000 2.826 203 H HA -0.121 4.435 4.556 -0.000 0.000 0.306 203 H C 0.235 175.546 175.328 -0.028 0.000 1.235 203 H CA 1.068 57.101 56.048 -0.025 0.000 1.150 203 H CB -2.481 27.252 29.762 -0.049 0.000 1.409 203 H HN 0.274 nan 8.280 nan 0.000 0.420 204 T N -3.557 111.022 114.554 0.042 0.000 2.905 204 T HA 0.671 5.021 4.350 -0.000 0.000 0.283 204 T C 1.255 176.008 174.700 0.088 0.000 1.031 204 T CA 0.181 62.302 62.100 0.034 0.000 1.002 204 T CB 3.023 71.896 68.868 0.009 0.000 1.200 204 T HN 0.773 nan 8.240 nan 0.000 0.560 205 G N 0.920 109.743 108.800 0.038 0.000 2.614 205 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.303 205 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.303 205 G C 1.271 176.170 174.900 -0.002 0.000 1.270 205 G CA 1.090 46.203 45.100 0.021 0.000 0.988 205 G HN 1.763 nan 8.290 nan 0.000 0.551 206 A N -1.210 121.564 122.820 -0.076 0.000 1.972 206 A HA 0.261 4.581 4.320 -0.000 0.000 0.219 206 A C 2.270 179.720 177.584 -0.223 0.000 1.169 206 A CA 2.413 54.331 52.037 -0.198 0.000 0.635 206 A CB -0.467 18.329 19.000 -0.341 0.000 0.810 206 A HN 0.786 nan 8.150 nan 0.000 0.446 207 F N 0.295 120.184 119.950 -0.101 0.000 2.069 207 F HA -0.083 4.443 4.527 -0.000 0.000 0.298 207 F C 2.693 178.479 175.800 -0.023 0.000 1.113 207 F CA 1.337 59.291 58.000 -0.075 0.000 1.214 207 F CB -0.990 37.935 39.000 -0.125 0.000 0.978 207 F HN 0.280 nan 8.300 nan 0.000 0.474 208 G N -0.925 107.966 108.800 0.151 0.000 2.422 208 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 208 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 208 G C 1.542 176.467 174.900 0.041 0.000 1.146 208 G CA 0.834 45.976 45.100 0.070 0.000 0.769 208 G HN 0.396 nan 8.290 nan 0.000 0.547 209 E N 0.151 120.366 120.200 0.024 0.000 2.072 209 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 209 E C 2.606 179.248 176.600 0.070 0.000 0.985 209 E CA 1.017 57.426 56.400 0.015 0.000 0.801 209 E CB -0.160 29.521 29.700 -0.032 0.000 0.750 209 E HN 0.376 nan 8.360 nan 0.000 0.452 210 S N 0.182 115.930 115.700 0.080 0.000 2.368 210 S HA -0.187 4.283 4.470 -0.000 0.000 0.225 210 S C 1.724 176.472 174.600 0.246 0.000 1.030 210 S CA 1.419 59.728 58.200 0.181 0.000 0.999 210 S CB -0.153 63.123 63.200 0.127 0.000 0.844 210 S HN 0.288 nan 8.310 nan 0.000 0.459 211 E N 0.519 120.837 120.200 0.197 0.000 2.077 211 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 211 E C 2.211 178.880 176.600 0.114 0.000 0.989 211 E CA 1.196 57.704 56.400 0.180 0.000 0.800 211 E CB -0.088 29.679 29.700 0.112 0.000 0.746 211 E HN 0.489 nan 8.360 nan 0.000 0.452 212 K N -0.030 120.425 120.400 0.091 0.000 2.103 212 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 212 K C 2.118 178.811 176.600 0.155 0.000 1.048 212 K CA 1.352 57.688 56.287 0.082 0.000 0.930 212 K CB -0.256 32.276 32.500 0.054 0.000 0.716 212 K HN 0.152 nan 8.250 nan 0.000 0.444 213 Y N 1.473 121.799 120.300 0.043 0.000 2.133 213 Y HA -0.165 4.385 4.550 -0.000 0.000 0.287 213 Y C 2.225 178.178 175.900 0.088 0.000 1.134 213 Y CA 0.991 59.123 58.100 0.054 0.000 1.133 213 Y CB -0.794 37.697 38.460 0.052 0.000 0.987 213 Y HN 0.031 nan 8.280 nan 0.000 0.502 214 A N 0.842 123.650 122.820 -0.020 0.000 1.903 214 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 214 A C 2.509 180.119 177.584 0.043 0.000 1.191 214 A CA 2.722 54.710 52.037 -0.082 0.000 0.638 214 A CB -1.640 17.202 19.000 -0.265 0.000 0.823 214 A HN 0.639 nan 8.150 nan 0.000 0.451 215 A N -0.717 122.141 122.820 0.062 0.000 1.908 215 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 215 A C 2.262 179.868 177.584 0.037 0.000 1.181 215 A CA 1.676 53.756 52.037 0.072 0.000 0.627 215 A CB -0.474 18.568 19.000 0.071 0.000 0.818 215 A HN 0.576 nan 8.150 nan 0.000 0.445 216 R N -0.838 119.684 120.500 0.037 0.000 2.070 216 R HA -0.089 4.251 4.340 -0.000 0.000 0.233 216 R C 2.072 178.362 176.300 -0.017 0.000 1.137 216 R CA 1.647 57.765 56.100 0.029 0.000 0.945 216 R CB -0.559 29.793 30.300 0.087 0.000 0.845 216 R HN 0.391 nan 8.270 nan 0.000 0.430 217 V N 0.015 119.882 119.914 -0.078 0.000 2.427 217 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 217 V C 1.556 177.552 176.094 -0.164 0.000 1.051 217 V CA 1.555 63.766 62.300 -0.147 0.000 1.048 217 V CB -0.355 31.259 31.823 -0.349 0.000 0.666 217 V HN 0.199 nan 8.190 nan 0.000 0.456 218 F N 0.407 120.282 119.950 -0.125 0.000 2.765 218 F HA 0.423 4.950 4.527 -0.000 0.000 0.302 218 F C 1.799 177.430 175.800 -0.282 0.000 1.111 218 F CA 0.663 58.515 58.000 -0.246 0.000 1.359 218 F CB -0.075 38.539 39.000 -0.643 0.000 1.097 218 F HN 0.264 nan 8.300 nan 0.000 0.577 219 G N 0.898 109.654 108.800 -0.072 0.000 2.198 219 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.257 219 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.257 219 G C 0.118 175.004 174.900 -0.024 0.000 1.042 219 G CA 0.022 45.090 45.100 -0.053 0.000 0.791 219 G HN 0.648 nan 8.290 nan 0.000 0.502 220 A N -0.827 121.988 122.820 -0.009 0.000 2.311 220 A HA 0.744 5.064 4.320 -0.000 0.000 0.334 220 A C 1.042 178.655 177.584 0.050 0.000 1.139 220 A CA 0.281 52.340 52.037 0.037 0.000 0.830 220 A CB 0.810 19.871 19.000 0.102 0.000 1.234 220 A HN 0.049 nan 8.150 nan 0.000 0.483 221 D N -0.197 120.239 120.400 0.061 0.000 2.183 221 D HA 0.004 4.644 4.640 -0.000 0.000 0.203 221 D C 0.599 176.925 176.300 0.044 0.000 0.969 221 D CA 1.364 55.404 54.000 0.068 0.000 0.842 221 D CB 0.247 41.100 40.800 0.090 0.000 0.957 221 D HN 0.486 nan 8.370 nan 0.000 0.484 222 R N -0.564 119.971 120.500 0.059 0.000 2.604 222 R HA 0.348 4.687 4.340 -0.000 0.000 0.270 222 R C -1.542 174.827 176.300 0.115 0.000 1.052 222 R CA -0.366 55.750 56.100 0.026 0.000 0.902 222 R CB 1.910 32.210 30.300 0.001 0.000 1.233 222 R HN -0.178 nan 8.270 nan 0.000 0.455 223 S N 1.710 117.439 115.700 0.047 0.000 2.536 223 S HA 0.570 5.040 4.470 -0.000 0.000 0.298 223 S C -1.678 172.946 174.600 0.040 0.000 1.083 223 S CA -0.572 57.735 58.200 0.177 0.000 0.995 223 S CB 1.105 64.440 63.200 0.225 0.000 1.058 223 S HN 0.408 nan 8.310 nan 0.000 0.488 224 W N 1.409 122.833 121.300 0.208 0.000 2.475 224 W HA 0.564 5.224 4.660 -0.000 0.000 0.320 224 W C 0.339 177.037 176.519 0.298 0.000 1.022 224 W CA -0.548 56.957 57.345 0.267 0.000 1.240 224 W CB 1.358 31.012 29.460 0.324 0.000 1.328 224 W HN 0.533 nan 8.180 nan 0.000 0.439 225 S N 2.232 118.182 115.700 0.415 0.000 2.545 225 S HA 0.681 5.151 4.470 -0.000 0.000 0.275 225 S C -0.757 174.004 174.600 0.268 0.000 1.299 225 S CA -0.251 58.009 58.200 0.100 0.000 1.048 225 S CB 0.371 63.624 63.200 0.088 0.000 0.938 225 S HN 0.277 nan 8.310 nan 0.000 0.496 226 V N 5.476 125.435 119.914 0.074 0.000 2.638 226 V HA 0.360 4.480 4.120 -0.000 0.000 0.306 226 V C 0.485 176.600 176.094 0.035 0.000 1.052 226 V CA -0.677 61.700 62.300 0.129 0.000 0.885 226 V CB 2.000 33.863 31.823 0.067 0.000 0.999 226 V HN 0.867 nan 8.190 nan 0.000 0.424 227 V N 2.272 122.221 119.914 0.058 0.000 3.271 227 V HA 0.293 4.413 4.120 -0.000 0.000 0.327 227 V C 0.230 176.327 176.094 0.006 0.000 1.389 227 V CA 0.078 62.401 62.300 0.039 0.000 1.156 227 V CB 0.698 32.568 31.823 0.079 0.000 1.103 227 V HN 0.544 nan 8.190 nan 0.000 0.453 228 V N 1.302 121.208 119.914 -0.014 0.000 2.988 228 V HA 0.757 4.877 4.120 -0.000 0.000 0.356 228 V C 1.274 177.357 176.094 -0.019 0.000 1.380 228 V CA 0.070 62.354 62.300 -0.026 0.000 1.184 228 V CB -0.766 31.030 31.823 -0.044 0.000 1.204 228 V HN 0.946 nan 8.190 nan 0.000 0.530 229 G N 1.217 110.017 108.800 -0.000 0.000 2.877 229 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.279 229 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.279 229 G C 0.616 175.527 174.900 0.019 0.000 1.431 229 G CA 0.137 45.265 45.100 0.047 0.000 0.883 229 G HN 0.294 nan 8.290 nan 0.000 0.547 230 T N 0.700 115.265 114.554 0.017 0.000 2.962 230 T HA -0.017 4.332 4.350 -0.000 0.000 0.270 230 T C 2.762 177.443 174.700 -0.031 0.000 1.088 230 T CA 1.891 63.977 62.100 -0.023 0.000 1.127 230 T CB -0.286 68.548 68.868 -0.056 0.000 0.883 230 T HN 0.640 nan 8.240 nan 0.000 0.493 231 S N 1.076 116.766 115.700 -0.017 0.000 2.368 231 S HA -0.145 4.325 4.470 -0.000 0.000 0.226 231 S C 2.398 176.967 174.600 -0.051 0.000 1.044 231 S CA 1.496 59.707 58.200 0.019 0.000 1.062 231 S CB -0.850 62.386 63.200 0.061 0.000 0.931 231 S HN 0.671 nan 8.310 nan 0.000 0.440 232 G N 0.596 109.356 108.800 -0.066 0.000 2.394 232 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.215 232 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.215 232 G C 1.579 176.375 174.900 -0.174 0.000 1.165 232 G CA 0.959 45.986 45.100 -0.122 0.000 0.784 232 G HN 0.513 nan 8.290 nan 0.000 0.535 233 S N 1.316 116.950 115.700 -0.110 0.000 2.353 233 S HA -0.167 4.303 4.470 -0.000 0.000 0.222 233 S C 2.363 176.877 174.600 -0.142 0.000 1.035 233 S CA 1.358 59.501 58.200 -0.095 0.000 1.025 233 S CB -0.319 62.867 63.200 -0.023 0.000 0.902 233 S HN 0.372 nan 8.310 nan 0.000 0.440 234 N N 1.120 119.768 118.700 -0.086 0.000 2.084 234 N HA -0.033 4.707 4.740 -0.000 0.000 0.190 234 N C 1.765 177.153 175.510 -0.203 0.000 1.030 234 N CA 0.983 54.006 53.050 -0.046 0.000 0.849 234 N CB -0.323 38.213 38.487 0.082 0.000 1.012 234 N HN 0.347 nan 8.380 nan 0.000 0.423 235 R N -0.045 120.270 120.500 -0.309 0.000 2.120 235 R HA -0.015 4.325 4.340 -0.000 0.000 0.234 235 R C 1.934 177.816 176.300 -0.696 0.000 1.123 235 R CA 1.384 57.143 56.100 -0.568 0.000 0.975 235 R CB -0.269 29.539 30.300 -0.819 0.000 0.866 235 R HN 0.247 nan 8.270 nan 0.000 0.446 236 T N 1.110 115.337 114.554 -0.544 0.000 2.701 236 T HA -0.070 4.280 4.350 -0.000 0.000 0.263 236 T C 1.870 176.251 174.700 -0.531 0.000 1.040 236 T CA 1.125 62.941 62.100 -0.474 0.000 1.147 236 T CB -0.132 68.480 68.868 -0.427 0.000 0.865 236 T HN 0.117 nan 8.240 nan 0.000 0.426 237 I N 1.034 121.333 120.570 -0.451 0.000 2.151 237 I HA -0.247 3.923 4.170 -0.000 0.000 0.243 237 I C 2.531 178.365 176.117 -0.471 0.000 1.080 237 I CA 1.575 62.574 61.300 -0.500 0.000 1.339 237 I CB -0.377 37.228 38.000 -0.659 0.000 1.039 237 I HN 0.260 nan 8.210 nan 0.000 0.409 238 M N -0.728 118.601 119.600 -0.452 0.000 2.229 238 M HA -0.219 4.261 4.480 -0.000 0.000 0.264 238 M C 2.321 178.391 176.300 -0.384 0.000 1.063 238 M CA 1.482 56.467 55.300 -0.525 0.000 1.114 238 M CB -0.366 31.933 32.600 -0.503 0.000 1.387 238 M HN 0.145 nan 8.290 nan 0.000 0.420 239 Q N 0.521 120.122 119.800 -0.332 0.000 2.224 239 Q HA -0.014 4.326 4.340 -0.000 0.000 0.203 239 Q C 1.891 177.750 176.000 -0.236 0.000 0.970 239 Q CA 1.682 57.350 55.803 -0.225 0.000 0.865 239 Q CB -0.126 28.545 28.738 -0.111 0.000 0.922 239 Q HN 0.512 nan 8.270 nan 0.000 0.445 240 A N -1.729 120.906 122.820 -0.309 0.000 2.123 240 A HA -0.037 4.282 4.320 -0.000 0.000 0.214 240 A C 1.794 179.326 177.584 -0.086 0.000 1.152 240 A CA 0.999 52.901 52.037 -0.224 0.000 0.728 240 A CB -0.123 18.716 19.000 -0.268 0.000 0.814 240 A HN 0.512 nan 8.150 nan 0.000 0.464 241 C N -0.966 118.257 119.300 -0.128 0.000 3.403 241 C HA 0.532 4.992 4.460 -0.000 0.000 0.317 241 C C 0.472 175.430 174.990 -0.054 0.000 1.346 241 C CA 0.136 59.131 59.018 -0.038 0.000 1.743 241 C CB -1.032 26.719 27.740 0.019 0.000 2.308 241 C HN 0.709 nan 8.230 nan 0.000 0.675 242 M N 0.293 119.821 119.600 -0.121 0.000 2.413 242 M HA 0.540 5.020 4.480 -0.000 0.000 0.287 242 M C -0.627 175.617 176.300 -0.093 0.000 1.186 242 M CA -0.086 55.154 55.300 -0.100 0.000 0.927 242 M CB 1.661 34.168 32.600 -0.155 0.000 1.715 242 M HN 0.086 nan 8.290 nan 0.000 0.478 243 T N -2.748 111.769 114.554 -0.061 0.000 2.844 243 T HA 0.440 4.789 4.350 -0.000 0.000 0.274 243 T C 0.502 175.173 174.700 -0.048 0.000 0.991 243 T CA 0.113 62.180 62.100 -0.054 0.000 0.983 243 T CB 0.949 69.794 68.868 -0.038 0.000 1.310 243 T HN 0.791 nan 8.240 nan 0.000 0.596 244 D N -0.648 119.729 120.400 -0.038 0.000 2.378 244 D HA -0.006 4.634 4.640 -0.000 0.000 0.227 244 D C 0.981 177.267 176.300 -0.023 0.000 1.012 244 D CA 0.365 54.347 54.000 -0.030 0.000 0.905 244 D CB -0.770 40.017 40.800 -0.022 0.000 0.895 244 D HN 0.536 nan 8.370 nan 0.000 0.532 245 N N -0.084 118.603 118.700 -0.021 0.000 2.353 245 N HA 0.019 4.759 4.740 -0.000 0.000 0.185 245 N C -0.405 175.096 175.510 -0.015 0.000 1.098 245 N CA 0.044 53.084 53.050 -0.016 0.000 0.872 245 N CB 0.431 38.911 38.487 -0.011 0.000 0.970 245 N HN 0.111 nan 8.380 nan 0.000 0.467 246 D N 0.034 120.421 120.400 -0.021 0.000 2.253 246 D HA 0.188 4.828 4.640 -0.000 0.000 0.249 246 D C -0.243 176.043 176.300 -0.022 0.000 1.049 246 D CA -0.201 53.789 54.000 -0.017 0.000 0.929 246 D CB 2.234 43.025 40.800 -0.016 0.000 1.176 246 D HN -0.255 nan 8.370 nan 0.000 0.437 247 V N 1.672 121.577 119.914 -0.015 0.000 2.472 247 V HA 0.407 4.527 4.120 -0.000 0.000 0.290 247 V C 0.326 176.415 176.094 -0.009 0.000 1.037 247 V CA -0.600 61.685 62.300 -0.024 0.000 0.908 247 V CB 1.641 33.450 31.823 -0.022 0.000 0.985 247 V HN 0.410 nan 8.190 nan 0.000 0.454 248 V N 2.973 122.873 119.914 -0.023 0.000 2.962 248 V HA 0.781 4.900 4.120 -0.000 0.000 0.313 248 V C -0.736 175.342 176.094 -0.026 0.000 1.099 248 V CA -0.769 61.549 62.300 0.031 0.000 0.971 248 V CB 2.117 33.994 31.823 0.090 0.000 1.028 248 V HN 0.455 nan 8.190 nan 0.000 0.430 249 V N 3.690 123.607 119.914 0.005 0.000 2.370 249 V HA 0.622 4.742 4.120 -0.000 0.000 0.283 249 V C -0.172 175.903 176.094 -0.031 0.000 1.023 249 V CA -0.359 61.909 62.300 -0.054 0.000 0.857 249 V CB 1.345 33.136 31.823 -0.054 0.000 0.985 249 V HN 0.790 nan 8.190 nan 0.000 0.443 250 V N 3.437 123.321 119.914 -0.049 0.000 2.531 250 V HA 0.349 4.469 4.120 -0.000 0.000 0.301 250 V C -0.209 175.973 176.094 0.147 0.000 1.034 250 V CA -0.775 61.564 62.300 0.064 0.000 0.865 250 V CB 1.995 33.886 31.823 0.114 0.000 0.995 250 V HN 0.893 nan 8.190 nan 0.000 0.424 251 D N 3.100 123.554 120.400 0.091 0.000 2.487 251 D HA 0.001 4.640 4.640 -0.000 0.000 0.243 251 D C 1.161 177.566 176.300 0.174 0.000 1.154 251 D CA 0.145 54.206 54.000 0.101 0.000 0.876 251 D CB 1.033 41.850 40.800 0.028 0.000 1.161 251 D HN 0.479 nan 8.370 nan 0.000 0.478 252 R N 3.211 123.813 120.500 0.170 0.000 2.120 252 R HA -0.102 4.237 4.340 -0.000 0.000 0.234 252 R C 0.543 176.903 176.300 0.099 0.000 1.123 252 R CA 0.703 56.867 56.100 0.106 0.000 0.975 252 R CB -0.470 29.864 30.300 0.056 0.000 0.866 252 R HN 0.334 nan 8.270 nan 0.000 0.446 253 N N 0.775 119.552 118.700 0.128 0.000 2.892 253 N HA -0.013 4.727 4.740 -0.000 0.000 0.300 253 N C -1.249 174.373 175.510 0.188 0.000 1.211 253 N CA 0.057 53.207 53.050 0.165 0.000 1.158 253 N CB -0.602 37.987 38.487 0.170 0.000 1.455 253 N HN 0.341 nan 8.380 nan 0.000 0.524 254 C N 1.057 120.469 119.300 0.186 0.000 2.614 254 C HA 0.532 4.992 4.460 -0.000 0.000 0.320 254 C C 0.572 175.716 174.990 0.257 0.000 1.200 254 C CA -1.391 57.748 59.018 0.202 0.000 1.700 254 C CB 1.135 28.976 27.740 0.168 0.000 2.275 254 C HN 0.586 nan 8.230 nan 0.000 0.492 255 H N 1.551 120.739 119.070 0.198 0.000 2.607 255 H HA 0.158 4.714 4.556 -0.000 0.000 0.367 255 H C 0.965 176.376 175.328 0.139 0.000 1.181 255 H CA 0.566 56.743 56.048 0.215 0.000 1.402 255 H CB 0.894 30.788 29.762 0.220 0.000 1.474 255 H HN 0.779 nan 8.280 nan 0.000 0.596 256 K N 1.212 121.315 120.400 -0.495 0.000 2.144 256 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 256 K C 2.074 178.638 176.600 -0.060 0.000 1.047 256 K CA 2.133 58.251 56.287 -0.282 0.000 0.927 256 K CB -0.072 32.210 32.500 -0.362 0.000 0.716 256 K HN 0.605 nan 8.250 nan 0.000 0.454 257 S N 0.744 116.537 115.700 0.154 0.000 2.423 257 S HA -0.069 4.400 4.470 -0.000 0.000 0.231 257 S C 1.926 176.578 174.600 0.086 0.000 1.014 257 S CA 0.680 58.983 58.200 0.172 0.000 0.965 257 S CB -0.230 63.128 63.200 0.263 0.000 0.785 257 S HN 0.094 nan 8.310 nan 0.000 0.495 258 I N 2.374 123.024 120.570 0.134 0.000 2.233 258 I HA -0.055 4.115 4.170 -0.000 0.000 0.243 258 I C 2.823 178.967 176.117 0.046 0.000 1.093 258 I CA 1.312 62.670 61.300 0.097 0.000 1.380 258 I CB -1.416 36.675 38.000 0.152 0.000 1.067 258 I HN 0.460 nan 8.210 nan 0.000 0.413 259 E N 0.997 121.226 120.200 0.048 0.000 2.110 259 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 259 E C 2.134 178.721 176.600 -0.022 0.000 0.988 259 E CA 1.286 57.702 56.400 0.027 0.000 0.804 259 E CB 0.074 29.788 29.700 0.024 0.000 0.745 259 E HN 0.525 nan 8.360 nan 0.000 0.458 260 Q N -0.391 119.383 119.800 -0.043 0.000 2.077 260 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 260 Q C 2.240 178.169 176.000 -0.118 0.000 0.989 260 Q CA 1.553 57.301 55.803 -0.092 0.000 0.853 260 Q CB -0.409 28.278 28.738 -0.085 0.000 0.907 260 Q HN 0.421 nan 8.270 nan 0.000 0.418 261 G N 0.788 109.515 108.800 -0.122 0.000 2.469 261 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 261 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 261 G C 1.354 176.168 174.900 -0.144 0.000 1.150 261 G CA 0.826 45.824 45.100 -0.171 0.000 0.763 261 G HN 0.202 nan 8.290 nan 0.000 0.561 262 L N -0.355 120.813 121.223 -0.092 0.000 2.056 262 L HA 0.005 4.344 4.340 -0.000 0.000 0.207 262 L C 3.074 179.912 176.870 -0.054 0.000 1.078 262 L CA 0.953 55.755 54.840 -0.064 0.000 0.749 262 L CB -0.352 41.704 42.059 -0.006 0.000 0.901 262 L HN 0.226 nan 8.230 nan 0.000 0.433 263 M N -0.646 118.917 119.600 -0.061 0.000 2.229 263 M HA -0.157 4.322 4.480 -0.000 0.000 0.264 263 M C 2.125 178.370 176.300 -0.091 0.000 1.063 263 M CA 1.577 56.836 55.300 -0.069 0.000 1.114 263 M CB -0.198 32.324 32.600 -0.130 0.000 1.387 263 M HN 0.237 nan 8.290 nan 0.000 0.420 264 L N -0.653 120.505 121.223 -0.107 0.000 2.209 264 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 264 L C 2.671 179.501 176.870 -0.067 0.000 1.094 264 L CA 1.301 56.090 54.840 -0.085 0.000 0.790 264 L CB -0.651 41.369 42.059 -0.065 0.000 0.932 264 L HN 0.419 nan 8.230 nan 0.000 0.447 265 T N -4.328 110.175 114.554 -0.085 0.000 3.044 265 T HA 0.155 4.505 4.350 -0.000 0.000 0.255 265 T C 1.587 176.250 174.700 -0.061 0.000 1.073 265 T CA 0.618 62.667 62.100 -0.084 0.000 1.125 265 T CB 0.448 69.240 68.868 -0.126 0.000 0.908 265 T HN 0.380 nan 8.240 nan 0.000 0.480 266 G N 1.715 110.486 108.800 -0.048 0.000 2.168 266 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.263 266 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.263 266 G C 0.387 175.266 174.900 -0.035 0.000 0.977 266 G CA 0.154 45.237 45.100 -0.028 0.000 0.659 266 G HN 1.219 nan 8.290 nan 0.000 0.533 267 A N -0.252 122.535 122.820 -0.056 0.000 2.448 267 A HA 0.537 4.857 4.320 -0.000 0.000 0.239 267 A C 0.653 178.207 177.584 -0.050 0.000 1.080 267 A CA 0.426 52.427 52.037 -0.060 0.000 0.779 267 A CB 0.356 19.303 19.000 -0.089 0.000 1.026 267 A HN 0.329 nan 8.150 nan 0.000 0.499 268 K N 2.293 122.663 120.400 -0.050 0.000 2.281 268 K HA 0.426 4.746 4.320 -0.000 0.000 0.272 268 K C -2.936 173.608 176.600 -0.094 0.000 1.048 268 K CA -1.758 54.496 56.287 -0.055 0.000 0.898 268 K CB 1.629 34.105 32.500 -0.039 0.000 1.128 268 K HN 0.487 nan 8.250 nan 0.000 0.460 269 P HA 0.420 nan 4.420 nan 0.000 0.287 269 P C -0.725 176.302 177.300 -0.454 0.000 1.279 269 P CA -0.820 62.093 63.100 -0.312 0.000 0.867 269 P CB 1.921 33.373 31.700 -0.413 0.000 1.127 270 V N 2.050 121.642 119.914 -0.537 0.000 2.925 270 V HA 0.456 4.576 4.120 -0.000 0.000 0.311 270 V C -1.274 174.510 176.094 -0.518 0.000 1.104 270 V CA -0.598 61.452 62.300 -0.417 0.000 0.954 270 V CB 1.907 33.629 31.823 -0.167 0.000 1.022 270 V HN 0.392 nan 8.190 nan 0.000 0.427 271 Y N 3.962 124.267 120.300 0.009 0.000 2.429 271 Y HA 0.646 5.196 4.550 -0.000 0.000 0.342 271 Y C 0.290 176.198 175.900 0.013 0.000 1.004 271 Y CA -0.797 57.310 58.100 0.013 0.000 1.075 271 Y CB 1.894 40.361 38.460 0.011 0.000 1.214 271 Y HN 0.431 nan 8.280 nan 0.000 0.455 272 M N 3.177 122.878 119.600 0.170 0.000 2.144 272 M HA 0.415 4.895 4.480 -0.000 0.000 0.356 272 M C -1.027 175.343 176.300 0.117 0.000 1.217 272 M CA -0.658 54.709 55.300 0.112 0.000 1.087 272 M CB 0.916 33.565 32.600 0.082 0.000 1.609 272 M HN 0.311 nan 8.290 nan 0.000 0.467 273 V N 5.925 125.887 119.914 0.080 0.000 2.407 273 V HA 0.405 4.525 4.120 -0.000 0.000 0.278 273 V C -2.048 174.053 176.094 0.012 0.000 1.037 273 V CA -1.479 60.853 62.300 0.052 0.000 0.900 273 V CB 0.850 32.692 31.823 0.032 0.000 0.983 273 V HN 0.657 nan 8.190 nan 0.000 0.459 274 P HA 0.333 nan 4.420 nan 0.000 0.279 274 P C -0.239 176.971 177.300 -0.150 0.000 1.252 274 P CA -0.420 62.653 63.100 -0.045 0.000 0.811 274 P CB 0.998 32.705 31.700 0.012 0.000 1.035 275 S N 1.104 116.622 115.700 -0.303 0.000 2.634 275 S HA 0.580 5.050 4.470 -0.000 0.000 0.261 275 S C 0.241 174.808 174.600 -0.055 0.000 1.271 275 S CA -0.503 57.528 58.200 -0.281 0.000 0.985 275 S CB 0.474 63.385 63.200 -0.482 0.000 0.968 275 S HN 0.748 nan 8.310 nan 0.000 0.568 276 R N -0.286 120.294 120.500 0.133 0.000 2.716 276 R HA 0.509 4.848 4.340 -0.000 0.000 0.271 276 R C -1.677 174.802 176.300 0.298 0.000 1.028 276 R CA -0.911 55.347 56.100 0.264 0.000 0.883 276 R CB 0.660 30.984 30.300 0.040 0.000 1.250 276 R HN 0.762 nan 8.270 nan 0.000 0.465 277 N N -0.358 118.446 118.700 0.173 0.000 2.619 277 N HA 0.242 4.981 4.740 -0.000 0.000 0.294 277 N C 0.550 175.984 175.510 -0.127 0.000 1.279 277 N CA -1.001 51.992 53.050 -0.095 0.000 0.867 277 N CB 0.837 39.064 38.487 -0.434 0.000 1.329 277 N HN 0.789 nan 8.380 nan 0.000 0.557 278 R N -1.186 119.174 120.500 -0.233 0.000 2.200 278 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 278 R C 0.176 176.255 176.300 -0.368 0.000 1.127 278 R CA 1.336 57.242 56.100 -0.324 0.000 0.989 278 R CB -0.754 29.277 30.300 -0.449 0.000 0.869 278 R HN 0.589 nan 8.270 nan 0.000 0.459 279 Y N 0.622 120.829 120.300 -0.155 0.000 2.490 279 Y HA 0.267 4.816 4.550 -0.000 0.000 0.281 279 Y C 1.716 177.544 175.900 -0.120 0.000 1.174 279 Y CA 0.503 58.520 58.100 -0.138 0.000 1.295 279 Y CB 0.368 38.661 38.460 -0.278 0.000 1.062 279 Y HN 0.423 nan 8.280 nan 0.000 0.522 280 G N 0.708 109.498 108.800 -0.017 0.000 2.148 280 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 280 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 280 G C 0.190 175.050 174.900 -0.066 0.000 0.981 280 G CA 0.151 45.216 45.100 -0.059 0.000 0.670 280 G HN 0.336 nan 8.290 nan 0.000 0.528 281 I N 1.696 122.245 120.570 -0.035 0.000 2.496 281 I HA 0.220 4.390 4.170 -0.000 0.000 0.285 281 I C 0.997 177.189 176.117 0.125 0.000 1.080 281 I CA -0.833 60.465 61.300 -0.005 0.000 1.404 281 I CB 0.673 38.605 38.000 -0.114 0.000 1.403 281 I HN -0.077 nan 8.210 nan 0.000 0.539 282 I N 5.263 125.874 120.570 0.069 0.000 2.496 282 I HA 0.179 4.349 4.170 -0.000 0.000 0.285 282 I C 0.941 177.082 176.117 0.041 0.000 1.080 282 I CA 0.517 61.844 61.300 0.044 0.000 1.404 282 I CB 0.574 38.574 38.000 -0.001 0.000 1.403 282 I HN 0.683 nan 8.210 nan 0.000 0.539 283 G N 7.931 116.623 108.800 -0.181 0.000 2.828 283 G HA2 0.661 4.621 3.960 -0.000 0.000 0.244 283 G HA3 0.661 4.621 3.960 -0.000 0.000 0.244 283 G C -2.769 171.834 174.900 -0.494 0.000 1.365 283 G CA -0.810 43.787 45.100 -0.838 0.000 1.041 283 G HN 0.407 nan 8.290 nan 0.000 0.560 284 P HA 0.342 nan 4.420 nan 0.000 0.278 284 P C -0.286 177.041 177.300 0.045 0.000 1.258 284 P CA -0.446 62.461 63.100 -0.322 0.000 0.811 284 P CB 1.370 32.745 31.700 -0.540 0.000 1.063 285 I N 1.484 122.282 120.570 0.380 0.000 2.598 285 I HA -0.036 4.134 4.170 -0.000 0.000 0.284 285 I C 0.718 177.199 176.117 0.606 0.000 1.140 285 I CA 0.129 61.646 61.300 0.361 0.000 1.420 285 I CB -0.401 37.823 38.000 0.374 0.000 1.387 285 I HN 0.233 nan 8.210 nan 0.000 0.553 286 Y N 8.087 128.488 120.300 0.168 0.000 2.326 286 Y HA 0.177 4.727 4.550 -0.000 0.000 0.333 286 Y C -1.240 174.506 175.900 -0.257 0.000 1.240 286 Y CA -2.652 55.381 58.100 -0.112 0.000 1.365 286 Y CB -0.217 38.160 38.460 -0.139 0.000 1.289 286 Y HN 0.442 nan 8.280 nan 0.000 0.548 287 P HA -0.231 nan 4.420 nan 0.000 0.217 287 P C 1.101 178.294 177.300 -0.179 0.000 1.151 287 P CA 1.980 64.749 63.100 -0.552 0.000 0.849 287 P CB 0.348 31.587 31.700 -0.768 0.000 0.787 288 Q N -0.451 119.280 119.800 -0.115 0.000 2.077 288 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 288 Q C 2.130 178.135 176.000 0.008 0.000 0.989 288 Q CA 1.425 57.209 55.803 -0.031 0.000 0.853 288 Q CB -1.019 27.728 28.738 0.014 0.000 0.907 288 Q HN 0.256 nan 8.270 nan 0.000 0.418 289 E N -0.365 119.861 120.200 0.043 0.000 2.331 289 E HA -0.116 4.234 4.350 -0.000 0.000 0.199 289 E C 1.449 178.081 176.600 0.052 0.000 1.008 289 E CA 0.981 57.412 56.400 0.052 0.000 0.843 289 E CB 0.008 29.752 29.700 0.073 0.000 0.761 289 E HN 0.508 nan 8.360 nan 0.000 0.507 290 M N 0.023 119.654 119.600 0.052 0.000 2.382 290 M HA 0.040 4.520 4.480 -0.000 0.000 0.247 290 M C 0.247 176.567 176.300 0.033 0.000 1.104 290 M CA 0.018 55.354 55.300 0.060 0.000 1.030 290 M CB 0.542 33.218 32.600 0.127 0.000 1.424 290 M HN -0.238 nan 8.290 nan 0.000 0.486 291 Q N 1.807 121.615 119.800 0.013 0.000 2.361 291 Q HA 0.038 4.377 4.340 -0.000 0.000 0.276 291 Q C -1.583 174.422 176.000 0.008 0.000 1.022 291 Q CA -0.872 54.934 55.803 0.005 0.000 0.898 291 Q CB 0.141 28.875 28.738 -0.006 0.000 1.246 291 Q HN 0.084 nan 8.270 nan 0.000 0.410 292 P HA -0.228 nan 4.420 nan 0.000 0.216 292 P C 0.860 178.162 177.300 0.003 0.000 1.150 292 P CA 1.594 64.698 63.100 0.006 0.000 0.843 292 P CB 0.290 31.994 31.700 0.007 0.000 0.787 293 E N -0.502 119.699 120.200 0.003 0.000 2.112 293 E HA -0.081 4.268 4.350 -0.000 0.000 0.190 293 E C 1.784 178.385 176.600 0.002 0.000 0.979 293 E CA 1.245 57.646 56.400 0.002 0.000 0.814 293 E CB -1.863 27.838 29.700 0.001 0.000 0.762 293 E HN 0.172 nan 8.360 nan 0.000 0.460 294 T N 2.474 117.031 114.554 0.004 0.000 2.684 294 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 294 T C 2.123 176.827 174.700 0.006 0.000 1.036 294 T CA 1.338 63.442 62.100 0.007 0.000 1.148 294 T CB -0.251 68.623 68.868 0.010 0.000 0.863 294 T HN 0.096 nan 8.240 nan 0.000 0.436 295 L N 0.553 121.779 121.223 0.004 0.000 2.156 295 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 295 L C 2.982 179.848 176.870 -0.005 0.000 1.095 295 L CA 0.814 55.653 54.840 -0.001 0.000 0.770 295 L CB -0.452 41.605 42.059 -0.004 0.000 0.914 295 L HN 0.134 nan 8.230 nan 0.000 0.439 296 Q N 0.281 120.080 119.800 -0.003 0.000 2.167 296 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 296 Q C 2.149 178.148 176.000 -0.003 0.000 0.970 296 Q CA 1.246 57.047 55.803 -0.003 0.000 0.855 296 Q CB -0.079 28.658 28.738 -0.001 0.000 0.911 296 Q HN 0.414 nan 8.270 nan 0.000 0.438 297 K N 0.927 121.327 120.400 -0.000 0.000 2.057 297 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 297 K C 1.859 178.460 176.600 0.001 0.000 1.049 297 K CA 1.056 57.344 56.287 0.001 0.000 0.931 297 K CB 0.132 32.634 32.500 0.004 0.000 0.714 297 K HN 0.033 nan 8.250 nan 0.000 0.440 298 K N 0.469 120.869 120.400 0.001 0.000 2.032 298 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 298 K C 2.143 178.737 176.600 -0.010 0.000 1.048 298 K CA 1.654 57.941 56.287 -0.000 0.000 0.927 298 K CB -0.154 32.345 32.500 -0.002 0.000 0.712 298 K HN 0.174 nan 8.250 nan 0.000 0.441 299 I N 0.262 120.823 120.570 -0.016 0.000 2.315 299 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 299 I C 2.478 178.588 176.117 -0.012 0.000 1.117 299 I CA 0.859 62.147 61.300 -0.020 0.000 1.404 299 I CB -0.134 37.854 38.000 -0.020 0.000 1.071 299 I HN 0.096 nan 8.210 nan 0.000 0.419 300 S N -0.084 115.612 115.700 -0.007 0.000 2.406 300 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 300 S C 1.803 176.402 174.600 -0.002 0.000 1.020 300 S CA 1.263 59.461 58.200 -0.004 0.000 0.965 300 S CB -0.072 63.127 63.200 -0.002 0.000 0.798 300 S HN 0.424 nan 8.310 nan 0.000 0.488 301 E N 0.267 120.467 120.200 -0.001 0.000 2.460 301 E HA 0.137 4.487 4.350 -0.000 0.000 0.200 301 E C 0.235 176.838 176.600 0.004 0.000 1.011 301 E CA -0.194 56.208 56.400 0.002 0.000 0.912 301 E CB 0.490 30.193 29.700 0.005 0.000 0.953 301 E HN 0.253 nan 8.360 nan 0.000 0.494 302 S N 1.591 117.292 115.700 0.001 0.000 2.523 302 S HA 0.102 4.571 4.470 -0.000 0.000 0.275 302 S C -1.852 172.749 174.600 0.003 0.000 1.281 302 S CA -1.671 56.532 58.200 0.004 0.000 1.050 302 S CB 0.962 64.160 63.200 -0.004 0.000 0.937 302 S HN -0.179 nan 8.310 nan 0.000 0.492 303 P HA -0.088 nan 4.420 nan 0.000 0.217 303 P C 1.098 178.400 177.300 0.003 0.000 1.148 303 P CA 1.140 64.244 63.100 0.006 0.000 0.828 303 P CB 0.023 31.728 31.700 0.009 0.000 0.783 304 L N -1.560 119.664 121.223 0.003 0.000 2.313 304 L HA -0.006 4.334 4.340 -0.000 0.000 0.214 304 L C 1.882 178.744 176.870 -0.014 0.000 1.119 304 L CA 1.874 56.712 54.840 -0.004 0.000 0.809 304 L CB -1.072 40.984 42.059 -0.004 0.000 0.933 304 L HN 0.168 nan 8.230 nan 0.000 0.449 305 T N -6.208 108.337 114.554 -0.016 0.000 2.975 305 T HA 0.112 4.462 4.350 -0.000 0.000 0.261 305 T C 1.514 176.206 174.700 -0.013 0.000 0.984 305 T CA -0.426 61.661 62.100 -0.020 0.000 0.911 305 T CB 0.362 69.210 68.868 -0.032 0.000 1.127 305 T HN -0.032 nan 8.240 nan 0.000 0.514 306 K N 1.995 122.390 120.400 -0.008 0.000 2.056 306 K HA -0.274 4.046 4.320 -0.000 0.000 0.225 306 K C 1.677 178.274 176.600 -0.005 0.000 1.053 306 K CA 2.536 58.821 56.287 -0.005 0.000 0.966 306 K CB -0.422 32.077 32.500 -0.002 0.000 0.735 306 K HN 0.629 nan 8.250 nan 0.000 0.455 307 D N -0.079 120.318 120.400 -0.004 0.000 2.392 307 D HA -0.108 4.531 4.640 -0.000 0.000 0.228 307 D C 0.475 176.772 176.300 -0.004 0.000 1.003 307 D CA 0.991 54.989 54.000 -0.004 0.000 0.917 307 D CB -0.014 40.784 40.800 -0.003 0.000 0.890 307 D HN 0.230 nan 8.370 nan 0.000 0.532 308 K N -0.229 120.168 120.400 -0.006 0.000 2.506 308 K HA 0.377 4.697 4.320 -0.000 0.000 0.204 308 K C 0.055 176.651 176.600 -0.006 0.000 1.045 308 K CA -0.307 55.976 56.287 -0.007 0.000 1.074 308 K CB 1.373 33.867 32.500 -0.010 0.000 0.842 308 K HN 0.098 nan 8.250 nan 0.000 0.514 309 A N 0.776 123.592 122.820 -0.006 0.000 2.584 309 A HA 0.324 4.644 4.320 -0.000 0.000 0.239 309 A C 1.376 178.958 177.584 -0.003 0.000 1.043 309 A CA 1.373 53.407 52.037 -0.005 0.000 0.756 309 A CB -0.508 18.490 19.000 -0.003 0.000 0.963 309 A HN 0.625 nan 8.150 nan 0.000 0.511 310 G N 0.873 109.672 108.800 -0.003 0.000 2.284 310 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.230 310 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.230 310 G C 0.528 175.428 174.900 0.000 0.000 1.021 310 G CA 0.513 45.612 45.100 -0.001 0.000 0.619 310 G HN 1.149 nan 8.290 nan 0.000 0.510 311 Q N 1.183 120.982 119.800 -0.001 0.000 2.361 311 Q HA 0.360 4.699 4.340 -0.000 0.000 0.276 311 Q C 0.436 176.437 176.000 0.002 0.000 1.022 311 Q CA 0.064 55.867 55.803 0.001 0.000 0.898 311 Q CB 0.355 29.092 28.738 -0.001 0.000 1.246 311 Q HN 0.416 nan 8.270 nan 0.000 0.410 312 K N 5.020 125.424 120.400 0.006 0.000 2.312 312 K HA 0.259 4.578 4.320 -0.000 0.000 0.287 312 K C -2.350 174.258 176.600 0.013 0.000 1.062 312 K CA -1.732 54.561 56.287 0.010 0.000 0.934 312 K CB 0.628 33.136 32.500 0.014 0.000 1.027 312 K HN 0.381 nan 8.250 nan 0.000 0.478 313 P HA -0.031 nan 4.420 nan 0.000 0.268 313 P C -0.143 177.184 177.300 0.045 0.000 1.205 313 P CA -0.042 63.072 63.100 0.023 0.000 0.771 313 P CB 1.034 32.741 31.700 0.013 0.000 0.858 314 S N 1.646 117.388 115.700 0.069 0.000 2.548 314 S HA 0.131 4.601 4.470 -0.000 0.000 0.215 314 S C -0.019 174.692 174.600 0.186 0.000 0.976 314 S CA 0.070 58.328 58.200 0.097 0.000 0.908 314 S CB -0.528 62.714 63.200 0.070 0.000 0.781 314 S HN 0.580 nan 8.310 nan 0.000 0.519 315 Y N -0.598 119.701 120.300 -0.001 0.000 2.573 315 Y HA 0.491 5.041 4.550 -0.000 0.000 0.328 315 Y C -1.875 174.013 175.900 -0.020 0.000 1.170 315 Y CA -1.352 56.751 58.100 0.004 0.000 1.078 315 Y CB 1.105 39.557 38.460 -0.013 0.000 1.341 315 Y HN 0.232 nan 8.280 nan 0.000 0.459 316 C N 6.551 125.528 119.300 -0.540 0.000 2.701 316 C HA 0.832 5.292 4.460 -0.000 0.000 0.336 316 C C -1.919 172.603 174.990 -0.781 0.000 1.123 316 C CA -0.474 58.263 59.018 -0.469 0.000 1.326 316 C CB 0.572 28.153 27.740 -0.265 0.000 1.833 316 C HN 0.927 nan 8.230 nan 0.000 0.473 317 V N 6.841 126.428 119.914 -0.544 0.000 2.680 317 V HA 0.895 5.015 4.120 -0.000 0.000 0.309 317 V C -1.045 174.822 176.094 -0.378 0.000 1.052 317 V CA -0.172 61.825 62.300 -0.505 0.000 0.908 317 V CB 2.131 33.791 31.823 -0.272 0.000 1.001 317 V HN 0.856 nan 8.190 nan 0.000 0.431 318 V N 4.703 124.330 119.914 -0.479 0.000 2.638 318 V HA 0.428 4.548 4.120 -0.000 0.000 0.306 318 V C 0.073 176.044 176.094 -0.206 0.000 1.052 318 V CA -0.532 61.561 62.300 -0.344 0.000 0.885 318 V CB 2.360 33.896 31.823 -0.479 0.000 0.999 318 V HN 0.949 nan 8.190 nan 0.000 0.424 319 T N 4.345 118.848 114.554 -0.084 0.000 2.738 319 T HA 0.276 4.626 4.350 -0.000 0.000 0.293 319 T C -0.112 174.636 174.700 0.079 0.000 0.913 319 T CA 0.193 62.291 62.100 -0.003 0.000 1.103 319 T CB -0.255 68.623 68.868 0.017 0.000 0.880 319 T HN 0.638 nan 8.240 nan 0.000 0.526 320 N N 2.365 121.126 118.700 0.101 0.000 2.454 320 N HA 0.330 5.070 4.740 -0.000 0.000 0.291 320 N C -0.156 175.325 175.510 -0.050 0.000 1.079 320 N CA -0.755 52.358 53.050 0.105 0.000 0.893 320 N CB 0.752 39.364 38.487 0.208 0.000 1.512 320 N HN 0.726 nan 8.380 nan 0.000 0.497 321 C N 1.261 120.258 119.300 -0.504 0.000 2.470 321 C HA 0.834 5.294 4.460 -0.000 0.000 0.350 321 C C 1.481 176.346 174.990 -0.209 0.000 1.341 321 C CA -0.436 58.299 59.018 -0.471 0.000 2.440 321 C CB -0.147 27.111 27.740 -0.803 0.000 2.295 321 C HN 0.771 nan 8.230 nan 0.000 0.645 322 T N -1.367 113.091 114.554 -0.161 0.000 2.770 322 T HA 0.316 4.666 4.350 -0.000 0.000 0.281 322 T C 0.466 175.037 174.700 -0.215 0.000 0.981 322 T CA 0.046 62.041 62.100 -0.175 0.000 0.955 322 T CB 0.159 69.011 68.868 -0.026 0.000 1.060 322 T HN 0.708 nan 8.240 nan 0.000 0.531 323 Y N -0.055 120.210 120.300 -0.059 0.000 2.314 323 Y HA 0.069 4.619 4.550 -0.000 0.000 0.293 323 Y C 2.384 178.168 175.900 -0.193 0.000 1.129 323 Y CA 1.093 59.050 58.100 -0.240 0.000 1.201 323 Y CB -0.192 38.172 38.460 -0.161 0.000 0.999 323 Y HN 0.620 nan 8.280 nan 0.000 0.541 324 D N -0.936 119.527 120.400 0.105 0.000 2.328 324 D HA 0.129 4.769 4.640 -0.000 0.000 0.226 324 D C 1.283 177.715 176.300 0.220 0.000 1.066 324 D CA 0.982 55.071 54.000 0.149 0.000 0.861 324 D CB 0.322 41.230 40.800 0.180 0.000 0.912 324 D HN 0.479 nan 8.370 nan 0.000 0.521 325 G N 1.030 109.895 108.800 0.107 0.000 2.140 325 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.211 325 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.211 325 G C 0.203 175.148 174.900 0.076 0.000 1.013 325 G CA -0.357 44.799 45.100 0.093 0.000 0.705 325 G HN 0.239 nan 8.290 nan 0.000 0.508 326 V N 0.773 120.706 119.914 0.032 0.000 2.432 326 V HA 0.403 4.522 4.120 -0.000 0.000 0.271 326 V C 0.910 176.895 176.094 -0.182 0.000 1.046 326 V CA -0.294 61.975 62.300 -0.052 0.000 0.945 326 V CB 1.040 32.786 31.823 -0.129 0.000 0.992 326 V HN 0.492 nan 8.190 nan 0.000 0.471 327 C N 5.660 124.873 119.300 -0.145 0.000 2.322 327 C HA 0.570 5.030 4.460 -0.000 0.000 0.324 327 C C -0.034 174.935 174.990 -0.036 0.000 1.284 327 C CA -1.332 57.623 59.018 -0.106 0.000 1.606 327 C CB -0.219 27.541 27.740 0.035 0.000 2.251 327 C HN 0.744 nan 8.230 nan 0.000 0.502 328 Y N 1.679 121.906 120.300 -0.122 0.000 2.336 328 Y HA 0.167 4.716 4.550 -0.000 0.000 0.331 328 Y C 1.137 176.802 175.900 -0.391 0.000 1.211 328 Y CA 0.162 58.056 58.100 -0.344 0.000 1.346 328 Y CB 0.480 38.694 38.460 -0.410 0.000 1.271 328 Y HN 0.627 nan 8.280 nan 0.000 0.538 329 N N 2.051 120.402 118.700 -0.582 0.000 2.406 329 N HA 0.053 4.793 4.740 -0.000 0.000 0.269 329 N C 0.276 175.458 175.510 -0.546 0.000 1.210 329 N CA 0.240 52.790 53.050 -0.833 0.000 0.966 329 N CB 0.939 39.053 38.487 -0.622 0.000 1.293 329 N HN 0.863 nan 8.380 nan 0.000 0.491 330 A N 4.122 126.658 122.820 -0.474 0.000 2.123 330 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 330 A C 2.085 179.472 177.584 -0.328 0.000 1.152 330 A CA 0.657 52.410 52.037 -0.473 0.000 0.728 330 A CB -0.131 18.408 19.000 -0.767 0.000 0.814 330 A HN 0.716 nan 8.150 nan 0.000 0.464 331 K N 0.030 120.247 120.400 -0.305 0.000 2.026 331 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 331 K C 1.689 178.249 176.600 -0.066 0.000 1.048 331 K CA 1.576 57.755 56.287 -0.180 0.000 0.929 331 K CB -0.059 32.332 32.500 -0.182 0.000 0.713 331 K HN 0.367 nan 8.250 nan 0.000 0.439 332 E N 0.240 120.413 120.200 -0.046 0.000 2.107 332 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 332 E C 1.974 178.722 176.600 0.247 0.000 0.982 332 E CA 1.081 57.566 56.400 0.141 0.000 0.809 332 E CB -0.223 29.658 29.700 0.303 0.000 0.756 332 E HN 0.416 nan 8.360 nan 0.000 0.459 333 A N 1.693 124.592 122.820 0.131 0.000 1.877 333 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 333 A C 2.246 179.967 177.584 0.229 0.000 1.186 333 A CA 1.890 54.079 52.037 0.254 0.000 0.620 333 A CB -0.691 18.360 19.000 0.084 0.000 0.822 333 A HN 0.298 nan 8.150 nan 0.000 0.443 334 Q N -0.475 119.453 119.800 0.213 0.000 2.077 334 Q HA -0.286 4.054 4.340 -0.000 0.000 0.206 334 Q C 1.715 177.784 176.000 0.116 0.000 0.989 334 Q CA 2.073 57.994 55.803 0.196 0.000 0.853 334 Q CB -0.355 28.476 28.738 0.156 0.000 0.907 334 Q HN 0.649 nan 8.270 nan 0.000 0.418 335 D N -0.021 120.440 120.400 0.101 0.000 2.123 335 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 335 D C 2.053 178.403 176.300 0.083 0.000 0.992 335 D CA 1.239 55.287 54.000 0.080 0.000 0.833 335 D CB 0.010 40.856 40.800 0.077 0.000 0.954 335 D HN 0.334 nan 8.370 nan 0.000 0.455 336 L N 0.164 121.458 121.223 0.119 0.000 2.044 336 L HA -0.113 4.226 4.340 -0.000 0.000 0.205 336 L C 2.646 179.556 176.870 0.066 0.000 1.075 336 L CA 0.570 55.467 54.840 0.095 0.000 0.747 336 L CB -0.227 41.910 42.059 0.130 0.000 0.903 336 L HN 0.031 nan 8.230 nan 0.000 0.435 337 L N -0.228 121.035 121.223 0.068 0.000 2.179 337 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 337 L C 2.530 179.405 176.870 0.007 0.000 1.096 337 L CA 0.893 55.745 54.840 0.020 0.000 0.779 337 L CB -0.490 41.555 42.059 -0.022 0.000 0.922 337 L HN 0.388 nan 8.230 nan 0.000 0.443 338 E N 0.651 120.866 120.200 0.024 0.000 2.338 338 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 338 E C 1.666 178.276 176.600 0.018 0.000 1.007 338 E CA 0.826 57.238 56.400 0.020 0.000 0.849 338 E CB -0.153 29.566 29.700 0.030 0.000 0.774 338 E HN 0.422 nan 8.360 nan 0.000 0.506 339 K N 0.170 120.582 120.400 0.020 0.000 2.365 339 K HA 0.011 4.331 4.320 -0.000 0.000 0.199 339 K C 1.377 177.984 176.600 0.011 0.000 1.045 339 K CA 1.371 57.668 56.287 0.016 0.000 0.962 339 K CB 0.213 32.723 32.500 0.018 0.000 0.759 339 K HN 0.108 nan 8.250 nan 0.000 0.469 340 T N -0.844 113.714 114.554 0.007 0.000 3.038 340 T HA 0.047 4.397 4.350 -0.000 0.000 0.244 340 T C 0.344 175.046 174.700 0.003 0.000 1.016 340 T CA 0.131 62.233 62.100 0.003 0.000 1.098 340 T CB 0.583 69.449 68.868 -0.003 0.000 0.954 340 T HN -0.002 nan 8.240 nan 0.000 0.469 341 S N 0.404 116.103 115.700 -0.000 0.000 2.547 341 S HA 0.327 4.797 4.470 -0.000 0.000 0.281 341 S C -0.567 174.039 174.600 0.012 0.000 1.118 341 S CA -0.696 57.507 58.200 0.005 0.000 0.947 341 S CB 1.431 64.623 63.200 -0.015 0.000 1.053 341 S HN 0.034 nan 8.310 nan 0.000 0.482 342 D N 2.247 122.664 120.400 0.029 0.000 2.323 342 D HA 0.091 4.731 4.640 -0.000 0.000 0.209 342 D C 0.049 176.377 176.300 0.047 0.000 0.973 342 D CA 0.739 54.759 54.000 0.034 0.000 0.874 342 D CB 0.221 41.044 40.800 0.039 0.000 0.930 342 D HN 0.298 nan 8.370 nan 0.000 0.521 343 R N 0.347 120.890 120.500 0.071 0.000 2.310 343 R HA 0.496 4.836 4.340 -0.000 0.000 0.324 343 R C -0.570 175.745 176.300 0.026 0.000 0.955 343 R CA -0.197 55.981 56.100 0.130 0.000 0.830 343 R CB 1.394 31.867 30.300 0.288 0.000 1.154 343 R HN -0.113 nan 8.270 nan 0.000 0.458 344 L N 2.352 123.586 121.223 0.018 0.000 2.341 344 L HA 0.493 4.832 4.340 -0.000 0.000 0.278 344 L C -0.195 176.665 176.870 -0.017 0.000 1.005 344 L CA -0.748 54.006 54.840 -0.143 0.000 0.818 344 L CB 1.805 43.756 42.059 -0.179 0.000 1.259 344 L HN 0.620 nan 8.230 nan 0.000 0.418 345 H N 3.457 122.300 119.070 -0.377 0.000 2.638 345 H HA 0.402 4.958 4.556 -0.000 0.000 0.317 345 H C -1.482 173.633 175.328 -0.356 0.000 1.006 345 H CA -0.791 55.147 56.048 -0.183 0.000 1.222 345 H CB 1.018 30.670 29.762 -0.184 0.000 1.419 345 H HN 0.421 nan 8.280 nan 0.000 0.489 346 F N 3.815 123.865 119.950 0.166 0.000 2.371 346 F HA 0.062 4.589 4.527 -0.000 0.000 0.363 346 F C 0.505 176.323 175.800 0.030 0.000 1.122 346 F CA -0.682 57.324 58.000 0.010 0.000 1.129 346 F CB 0.813 39.853 39.000 0.066 0.000 1.173 346 F HN 0.586 nan 8.300 nan 0.000 0.489 347 D N 4.080 124.447 120.400 -0.054 0.000 2.453 347 D HA 0.050 4.690 4.640 -0.000 0.000 0.223 347 D C 0.250 176.642 176.300 0.154 0.000 1.183 347 D CA 0.097 54.096 54.000 -0.003 0.000 0.933 347 D CB 0.246 40.946 40.800 -0.168 0.000 1.038 347 D HN 0.608 nan 8.370 nan 0.000 0.513 348 E N 2.257 122.626 120.200 0.282 0.000 2.349 348 E HA 0.155 4.504 4.350 -0.000 0.000 0.201 348 E C 1.445 178.246 176.600 0.334 0.000 1.087 348 E CA -0.339 56.286 56.400 0.375 0.000 1.128 348 E CB 0.581 30.602 29.700 0.536 0.000 1.188 348 E HN 0.500 nan 8.360 nan 0.000 0.445 349 A N 0.505 123.427 122.820 0.170 0.000 1.917 349 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 349 A C 1.352 178.888 177.584 -0.079 0.000 1.182 349 A CA 1.063 53.095 52.037 -0.008 0.000 0.633 349 A CB -0.633 18.256 19.000 -0.184 0.000 0.819 349 A HN 0.499 nan 8.150 nan 0.000 0.448 350 W N -2.645 118.692 121.300 0.061 0.000 3.438 350 W HA 0.328 4.988 4.660 -0.000 0.000 0.322 350 W C 0.695 177.310 176.519 0.160 0.000 1.261 350 W CA 0.010 57.411 57.345 0.094 0.000 1.788 350 W CB -0.028 29.466 29.460 0.056 0.000 1.065 350 W HN 0.488 nan 8.180 nan 0.000 0.715 351 Y N -1.173 119.109 120.300 -0.030 0.000 2.863 351 Y HA 0.219 4.769 4.550 -0.000 0.000 0.254 351 Y C 1.801 177.214 175.900 -0.811 0.000 1.124 351 Y CA -0.029 57.789 58.100 -0.470 0.000 1.203 351 Y CB 0.150 38.463 38.460 -0.244 0.000 1.269 351 Y HN -0.080 nan 8.280 nan 0.000 0.586 352 G N 0.137 108.563 108.800 -0.622 0.000 2.509 352 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.218 352 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.218 352 G C 0.948 175.580 174.900 -0.447 0.000 1.124 352 G CA 1.222 45.761 45.100 -0.935 0.000 0.776 352 G HN 0.679 nan 8.290 nan 0.000 0.547 353 Y N -1.016 119.148 120.300 -0.226 0.000 2.511 353 Y HA 0.591 5.141 4.550 -0.000 0.000 0.279 353 Y C 2.425 178.124 175.900 -0.335 0.000 1.157 353 Y CA -0.300 57.769 58.100 -0.051 0.000 1.300 353 Y CB -0.522 37.928 38.460 -0.016 0.000 1.052 353 Y HN 0.113 nan 8.280 nan 0.000 0.529 354 A N 2.044 124.140 122.820 -1.207 0.000 1.933 354 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 354 A C 2.397 179.292 177.584 -1.148 0.000 1.175 354 A CA 1.729 52.936 52.037 -1.383 0.000 0.628 354 A CB -0.776 16.972 19.000 -2.088 0.000 0.814 354 A HN 0.542 nan 8.150 nan 0.000 0.444 355 R N -1.366 118.176 120.500 -1.595 0.000 2.200 355 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 355 R C 0.606 176.267 176.300 -1.064 0.000 1.127 355 R CA 1.769 56.894 56.100 -1.624 0.000 0.989 355 R CB -0.348 28.997 30.300 -1.590 0.000 0.869 355 R HN 0.484 nan 8.270 nan 0.000 0.459 356 F N -0.500 119.268 119.950 -0.303 0.000 2.664 356 F HA 0.333 4.860 4.527 -0.000 0.000 0.303 356 F C 0.277 176.048 175.800 -0.048 0.000 1.092 356 F CA -0.400 57.501 58.000 -0.165 0.000 1.305 356 F CB 0.096 38.986 39.000 -0.183 0.000 1.054 356 F HN -0.066 nan 8.300 nan 0.000 0.565 357 N N 0.608 119.363 118.700 0.092 0.000 2.295 357 N HA 0.234 4.974 4.740 -0.000 0.000 0.293 357 N C -2.313 173.220 175.510 0.038 0.000 1.040 357 N CA -1.708 51.395 53.050 0.088 0.000 0.840 357 N CB 2.593 41.147 38.487 0.112 0.000 1.468 357 N HN -0.252 nan 8.380 nan 0.000 0.478 358 P HA 0.048 nan 4.420 nan 0.000 0.225 358 P C 1.492 178.769 177.300 -0.039 0.000 1.148 358 P CA 0.497 63.600 63.100 0.006 0.000 0.779 358 P CB 0.586 32.282 31.700 -0.006 0.000 0.780 359 I N -1.815 118.644 120.570 -0.185 0.000 2.614 359 I HA -0.222 3.948 4.170 -0.000 0.000 0.258 359 I C 1.000 176.913 176.117 -0.340 0.000 1.189 359 I CA 1.290 62.397 61.300 -0.322 0.000 1.462 359 I CB -0.011 37.683 38.000 -0.511 0.000 1.092 359 I HN -0.035 nan 8.210 nan 0.000 0.442 360 Y N 0.701 121.032 120.300 0.052 0.000 2.457 360 Y HA 0.389 4.939 4.550 -0.000 0.000 0.263 360 Y C 1.369 177.457 175.900 0.314 0.000 1.164 360 Y CA -0.323 57.862 58.100 0.143 0.000 1.274 360 Y CB -0.864 37.673 38.460 0.128 0.000 1.097 360 Y HN 0.006 nan 8.280 nan 0.000 0.523 361 A N 1.103 124.115 122.820 0.320 0.000 2.608 361 A HA -0.082 4.238 4.320 -0.000 0.000 0.246 361 A C 0.890 178.598 177.584 0.207 0.000 0.998 361 A CA 1.087 53.259 52.037 0.224 0.000 0.796 361 A CB -0.468 18.603 19.000 0.118 0.000 0.895 361 A HN 0.657 nan 8.150 nan 0.000 0.508 362 D N 0.120 120.451 120.400 -0.115 0.000 2.911 362 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 362 D C 0.217 176.300 176.300 -0.362 0.000 1.041 362 D CA 2.207 56.048 54.000 -0.264 0.000 1.013 362 D CB -1.302 39.410 40.800 -0.146 0.000 1.093 362 D HN 0.924 nan 8.370 nan 0.000 0.431 363 H N -0.829 118.126 119.070 -0.191 0.000 2.488 363 H HA 0.358 4.914 4.556 -0.000 0.000 0.294 363 H C -0.100 175.316 175.328 0.147 0.000 1.088 363 H CA 0.018 56.071 56.048 0.008 0.000 1.086 363 H CB -0.026 29.856 29.762 0.200 0.000 1.569 363 H HN 0.398 nan 8.280 nan 0.000 0.548 364 Y N -4.940 115.345 120.300 -0.025 0.000 2.705 364 Y HA 0.651 5.201 4.550 -0.000 0.000 0.332 364 Y C 0.753 176.495 175.900 -0.262 0.000 1.221 364 Y CA -1.148 56.888 58.100 -0.107 0.000 1.059 364 Y CB 0.624 38.967 38.460 -0.195 0.000 1.298 364 Y HN -0.161 nan 8.280 nan 0.000 0.459 365 A N 0.983 123.744 122.820 -0.099 0.000 1.854 365 A HA 0.043 4.363 4.320 -0.000 0.000 0.214 365 A C 1.085 178.635 177.584 -0.057 0.000 1.192 365 A CA 1.104 53.035 52.037 -0.176 0.000 0.611 365 A CB -0.397 18.614 19.000 0.018 0.000 0.832 365 A HN 0.638 nan 8.150 nan 0.000 0.442 366 M N 1.791 121.470 119.600 0.132 0.000 3.422 366 M HA 0.226 4.705 4.480 -0.000 0.000 0.248 366 M C -0.574 175.782 176.300 0.093 0.000 1.433 366 M CA 0.191 55.539 55.300 0.081 0.000 1.592 366 M CB -0.755 31.880 32.600 0.058 0.000 1.078 366 M HN 0.218 nan 8.290 nan 0.000 0.578 367 R N 0.267 120.712 120.500 -0.093 0.000 2.340 367 R HA 0.540 4.880 4.340 -0.000 0.000 0.300 367 R C 1.202 177.459 176.300 -0.072 0.000 1.069 367 R CA 0.332 56.334 56.100 -0.163 0.000 0.984 367 R CB 0.629 30.728 30.300 -0.335 0.000 1.003 367 R HN 0.782 nan 8.270 nan 0.000 0.459 368 G N 2.520 111.299 108.800 -0.036 0.000 2.581 368 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.291 368 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.291 368 G C -0.565 174.313 174.900 -0.036 0.000 1.277 368 G CA -0.220 44.858 45.100 -0.035 0.000 0.959 368 G HN 0.532 nan 8.290 nan 0.000 0.554 369 E N 2.100 122.277 120.200 -0.038 0.000 2.231 369 E HA 0.493 4.843 4.350 -0.000 0.000 0.277 369 E C -1.498 175.075 176.600 -0.044 0.000 0.999 369 E CA -1.361 55.017 56.400 -0.036 0.000 0.827 369 E CB 1.241 30.922 29.700 -0.032 0.000 1.101 369 E HN 0.476 nan 8.360 nan 0.000 0.393 370 P HA 0.305 nan 4.420 nan 0.000 0.274 370 P C 0.461 177.713 177.300 -0.080 0.000 1.256 370 P CA -0.072 63.006 63.100 -0.037 0.000 0.795 370 P CB 0.996 32.697 31.700 0.002 0.000 1.038 371 G N -0.483 108.219 108.800 -0.163 0.000 2.797 371 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.195 371 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.195 371 G C -0.065 174.432 174.900 -0.671 0.000 1.026 371 G CA -0.059 44.822 45.100 -0.366 0.000 0.759 371 G HN 0.674 nan 8.290 nan 0.000 0.475 372 D N 1.351 121.529 120.400 -0.370 0.000 2.348 372 D HA 0.307 4.946 4.640 -0.000 0.000 0.259 372 D C 0.939 177.094 176.300 -0.241 0.000 1.296 372 D CA -0.214 53.623 54.000 -0.272 0.000 0.931 372 D CB 0.013 40.735 40.800 -0.130 0.000 1.067 372 D HN 0.422 nan 8.370 nan 0.000 0.503 373 H N 2.555 121.616 119.070 -0.015 0.000 2.539 373 H HA 0.045 4.601 4.556 -0.000 0.000 0.269 373 H C 0.482 175.802 175.328 -0.013 0.000 0.980 373 H CA -0.075 55.963 56.048 -0.017 0.000 1.152 373 H CB 0.008 29.762 29.762 -0.014 0.000 1.407 373 H HN 0.421 nan 8.280 nan 0.000 0.564 374 N N 1.621 120.355 118.700 0.056 0.000 2.807 374 N HA 0.216 4.956 4.740 -0.000 0.000 0.259 374 N C -0.139 175.386 175.510 0.025 0.000 1.149 374 N CA 0.287 53.359 53.050 0.037 0.000 1.042 374 N CB 0.198 38.696 38.487 0.019 0.000 1.367 374 N HN 0.449 nan 8.380 nan 0.000 0.516 375 G N 2.487 111.306 108.800 0.032 0.000 2.320 375 G HA2 0.181 4.140 3.960 -0.000 0.000 0.296 375 G HA3 0.181 4.140 3.960 -0.000 0.000 0.296 375 G C -3.338 171.576 174.900 0.024 0.000 1.306 375 G CA -0.658 44.456 45.100 0.023 0.000 0.836 375 G HN 0.189 nan 8.290 nan 0.000 0.517 376 P HA 0.328 nan 4.420 nan 0.000 0.274 376 P C -0.068 177.225 177.300 -0.011 0.000 1.237 376 P CA 0.133 63.241 63.100 0.013 0.000 0.793 376 P CB 0.793 32.505 31.700 0.020 0.000 0.977 377 T N 0.924 115.455 114.554 -0.038 0.000 2.851 377 T HA 0.298 4.648 4.350 -0.000 0.000 0.298 377 T C 0.022 174.608 174.700 -0.190 0.000 0.977 377 T CA -0.007 62.008 62.100 -0.142 0.000 1.126 377 T CB 0.041 68.806 68.868 -0.172 0.000 0.916 377 T HN 0.110 nan 8.240 nan 0.000 0.529 378 V N 4.454 124.201 119.914 -0.278 0.000 2.588 378 V HA 0.542 4.662 4.120 -0.000 0.000 0.304 378 V C -0.833 175.072 176.094 -0.315 0.000 1.042 378 V CA -0.996 61.214 62.300 -0.151 0.000 0.877 378 V CB 1.333 33.189 31.823 0.055 0.000 0.996 378 V HN 0.743 nan 8.190 nan 0.000 0.425 379 F N 2.527 122.538 119.950 0.101 0.000 2.469 379 F HA 0.839 5.366 4.527 -0.000 0.000 0.332 379 F C 0.467 176.394 175.800 0.212 0.000 1.103 379 F CA -0.506 57.536 58.000 0.070 0.000 0.979 379 F CB 2.014 40.964 39.000 -0.084 0.000 1.137 379 F HN 0.598 nan 8.300 nan 0.000 0.463 380 A N 1.309 124.336 122.820 0.344 0.000 2.371 380 A HA 0.794 5.114 4.320 -0.000 0.000 0.311 380 A C -0.736 176.918 177.584 0.117 0.000 1.068 380 A CA -0.718 51.502 52.037 0.304 0.000 0.744 380 A CB 1.061 20.199 19.000 0.231 0.000 1.239 380 A HN 0.712 nan 8.150 nan 0.000 0.435 381 T N -0.016 114.629 114.554 0.152 0.000 2.792 381 T HA 0.681 5.030 4.350 -0.000 0.000 0.280 381 T C -0.702 174.052 174.700 0.089 0.000 0.990 381 T CA -0.363 61.782 62.100 0.075 0.000 0.960 381 T CB 0.541 69.542 68.868 0.221 0.000 0.939 381 T HN 0.659 nan 8.240 nan 0.000 0.439 382 H N 0.834 119.964 119.070 0.100 0.000 2.489 382 H HA 0.496 5.052 4.556 -0.000 0.000 0.343 382 H C -0.258 175.050 175.328 -0.034 0.000 1.086 382 H CA -1.135 54.940 56.048 0.045 0.000 1.198 382 H CB 1.533 31.337 29.762 0.070 0.000 1.490 382 H HN 0.546 nan 8.280 nan 0.000 0.504 383 S N 1.892 117.573 115.700 -0.030 0.000 2.494 383 S HA -0.047 4.422 4.470 -0.000 0.000 0.312 383 S C 1.546 175.985 174.600 -0.269 0.000 1.121 383 S CA -0.303 57.740 58.200 -0.262 0.000 1.068 383 S CB 0.297 63.129 63.200 -0.613 0.000 1.141 383 S HN 0.868 nan 8.310 nan 0.000 0.527 384 T N 1.239 115.761 114.554 -0.054 0.000 2.881 384 T HA -0.152 4.198 4.350 -0.000 0.000 0.270 384 T C 0.821 175.526 174.700 0.007 0.000 1.068 384 T CA 1.044 63.171 62.100 0.045 0.000 1.131 384 T CB -0.657 68.301 68.868 0.149 0.000 0.871 384 T HN 0.803 nan 8.240 nan 0.000 0.479 388 L N -0.111 121.209 121.223 0.163 0.000 2.657 388 L HA 0.339 4.679 4.340 -0.000 0.000 0.240 388 L C 0.036 176.972 176.870 0.111 0.000 1.151 388 L CA -0.420 54.514 54.840 0.156 0.000 0.831 388 L CB 0.587 42.759 42.059 0.187 0.000 1.539 388 L HN 0.089 nan 8.230 nan 0.000 0.511 389 N N 0.126 118.884 118.700 0.098 0.000 2.469 389 N HA 0.654 5.394 4.740 -0.000 0.000 0.253 389 N C -1.124 174.431 175.510 0.076 0.000 0.970 389 N CA -0.154 52.940 53.050 0.073 0.000 0.940 389 N CB 1.615 40.129 38.487 0.046 0.000 1.128 389 N HN 0.635 nan 8.380 nan 0.000 0.503 390 A N 1.468 124.336 122.820 0.081 0.000 2.583 390 A HA 0.360 4.680 4.320 -0.000 0.000 0.292 390 A C -1.364 176.274 177.584 0.090 0.000 1.045 390 A CA -0.760 51.324 52.037 0.078 0.000 0.672 390 A CB 0.657 19.719 19.000 0.102 0.000 1.283 390 A HN 0.471 nan 8.150 nan 0.000 0.419 391 L N 1.557 122.811 121.223 0.051 0.000 2.439 391 L HA 0.272 4.612 4.340 -0.000 0.000 0.269 391 L C 0.941 177.813 176.870 0.003 0.000 1.179 391 L CA -0.343 54.511 54.840 0.024 0.000 0.828 391 L CB 1.013 43.068 42.059 -0.008 0.000 1.106 391 L HN 0.791 nan 8.230 nan 0.000 0.467 392 S N 2.187 117.824 115.700 -0.105 0.000 2.573 392 S HA -0.069 4.400 4.470 -0.000 0.000 0.297 392 S C 0.596 175.004 174.600 -0.320 0.000 1.280 392 S CA 0.111 58.046 58.200 -0.441 0.000 1.061 392 S CB 0.537 63.536 63.200 -0.335 0.000 0.812 392 S HN 0.811 nan 8.310 nan 0.000 0.500 393 Q N -1.909 117.629 119.800 -0.436 0.000 2.676 393 Q HA -0.193 4.146 4.340 -0.000 0.000 0.154 393 Q C 0.201 176.199 176.000 -0.002 0.000 0.594 393 Q CA 0.881 56.600 55.803 -0.140 0.000 1.222 393 Q CB -1.690 26.994 28.738 -0.090 0.000 1.001 393 Q HN 0.887 nan 8.270 nan 0.000 1.091 394 A N 1.380 124.232 122.820 0.053 0.000 2.488 394 A HA 0.572 4.892 4.320 -0.000 0.000 0.249 394 A C 0.198 177.821 177.584 0.064 0.000 1.083 394 A CA 1.017 53.079 52.037 0.042 0.000 0.768 394 A CB 1.081 20.105 19.000 0.040 0.000 1.017 394 A HN 0.271 nan 8.150 nan 0.000 0.496 395 S N 1.114 116.759 115.700 -0.092 0.000 2.596 395 S HA 0.731 5.201 4.470 -0.000 0.000 0.270 395 S C -1.803 172.617 174.600 -0.301 0.000 1.155 395 S CA -0.485 57.660 58.200 -0.091 0.000 0.827 395 S CB 0.787 63.980 63.200 -0.013 0.000 1.130 395 S HN 0.583 nan 8.310 nan 0.000 0.467 396 Y N 0.916 121.169 120.300 -0.078 0.000 2.512 396 Y HA 0.615 5.165 4.550 -0.000 0.000 0.348 396 Y C -0.350 175.396 175.900 -0.257 0.000 0.990 396 Y CA -0.722 57.241 58.100 -0.227 0.000 1.033 396 Y CB 1.677 39.765 38.460 -0.620 0.000 1.259 396 Y HN 0.557 nan 8.280 nan 0.000 0.461 397 I N 4.387 124.998 120.570 0.069 0.000 2.330 397 I HA 0.263 4.432 4.170 -0.000 0.000 0.289 397 I C -0.674 175.479 176.117 0.059 0.000 1.001 397 I CA -0.471 60.882 61.300 0.088 0.000 1.193 397 I CB 0.431 38.567 38.000 0.227 0.000 1.345 397 I HN 0.496 nan 8.210 nan 0.000 0.461 398 H N 5.784 124.945 119.070 0.153 0.000 2.459 398 H HA 0.585 5.141 4.556 -0.000 0.000 0.332 398 H C -0.686 174.695 175.328 0.089 0.000 1.094 398 H CA -0.569 55.539 56.048 0.100 0.000 1.224 398 H CB 2.184 31.934 29.762 -0.020 0.000 1.449 398 H HN 0.195 nan 8.280 nan 0.000 0.484 399 V N 3.981 123.997 119.914 0.170 0.000 2.656 399 V HA 0.427 4.546 4.120 -0.000 0.000 0.307 399 V C 0.147 176.209 176.094 -0.053 0.000 1.051 399 V CA -0.901 61.361 62.300 -0.065 0.000 0.893 399 V CB 2.379 34.131 31.823 -0.119 0.000 0.999 399 V HN 0.641 nan 8.190 nan 0.000 0.426 400 R N 2.325 122.746 120.500 -0.131 0.000 2.360 400 R HA 0.458 4.797 4.340 -0.000 0.000 0.318 400 R C -0.586 175.657 176.300 -0.096 0.000 0.950 400 R CA -0.617 55.454 56.100 -0.048 0.000 0.837 400 R CB 2.039 32.334 30.300 -0.008 0.000 1.165 400 R HN 0.765 nan 8.270 nan 0.000 0.458 401 E N 0.933 121.106 120.200 -0.044 0.000 2.373 401 E HA 0.267 4.616 4.350 -0.000 0.000 0.267 401 E C 0.381 176.979 176.600 -0.004 0.000 1.032 401 E CA -0.040 56.287 56.400 -0.122 0.000 0.889 401 E CB 1.202 30.708 29.700 -0.325 0.000 0.984 401 E HN 0.755 nan 8.360 nan 0.000 0.425 402 G N 2.247 111.019 108.800 -0.046 0.000 2.894 402 G HA2 0.214 4.174 3.960 -0.000 0.000 0.164 402 G HA3 0.214 4.174 3.960 -0.000 0.000 0.164 402 G C -0.866 174.031 174.900 -0.005 0.000 1.180 402 G CA -0.879 44.229 45.100 0.013 0.000 0.997 402 G HN 0.365 nan 8.290 nan 0.000 0.572 403 R N 0.202 120.708 120.500 0.010 0.000 2.537 403 R HA 0.420 4.759 4.340 -0.000 0.000 0.280 403 R C 1.043 177.354 176.300 0.018 0.000 1.058 403 R CA 1.015 57.124 56.100 0.015 0.000 1.057 403 R CB 0.588 30.901 30.300 0.022 0.000 0.973 403 R HN 1.442 nan 8.270 nan 0.000 0.438 404 G N 1.370 110.185 108.800 0.025 0.000 2.249 404 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.273 404 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.273 404 G C 0.255 175.185 174.900 0.049 0.000 1.036 404 G CA 0.192 45.318 45.100 0.043 0.000 0.824 404 G HN 0.862 nan 8.290 nan 0.000 0.504 405 A N -0.755 122.074 122.820 0.015 0.000 2.466 405 A HA 0.638 4.958 4.320 -0.000 0.000 0.238 405 A C 0.573 178.188 177.584 0.051 0.000 1.074 405 A CA 0.356 52.391 52.037 -0.003 0.000 0.774 405 A CB 0.367 19.332 19.000 -0.058 0.000 1.015 405 A HN 0.941 nan 8.150 nan 0.000 0.498 406 I N 2.468 123.085 120.570 0.079 0.000 2.382 406 I HA 0.188 4.357 4.170 -0.000 0.000 0.285 406 I C 0.072 176.274 176.117 0.142 0.000 1.007 406 I CA -0.781 60.605 61.300 0.143 0.000 1.142 406 I CB 1.209 39.368 38.000 0.265 0.000 1.289 406 I HN 0.853 nan 8.210 nan 0.000 0.453 407 N N 5.330 124.114 118.700 0.140 0.000 2.263 407 N HA -0.038 4.702 4.740 -0.000 0.000 0.239 407 N C 0.739 176.418 175.510 0.282 0.000 1.317 407 N CA -0.069 53.087 53.050 0.178 0.000 0.909 407 N CB 0.425 38.999 38.487 0.144 0.000 1.171 407 N HN 0.529 nan 8.380 nan 0.000 0.492 408 F N 0.211 120.277 119.950 0.193 0.000 2.075 408 F HA -0.136 4.391 4.527 -0.000 0.000 0.297 408 F C 2.123 178.088 175.800 0.276 0.000 1.113 408 F CA 1.862 60.034 58.000 0.286 0.000 1.218 408 F CB -0.560 38.527 39.000 0.146 0.000 0.984 408 F HN 0.457 nan 8.300 nan 0.000 0.472 409 S N 0.619 116.445 115.700 0.210 0.000 2.383 409 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 409 S C 1.961 176.558 174.600 -0.004 0.000 1.030 409 S CA 1.534 59.779 58.200 0.075 0.000 1.002 409 S CB -0.429 62.860 63.200 0.149 0.000 0.829 409 S HN 0.422 nan 8.310 nan 0.000 0.467 410 R N -0.270 120.262 120.500 0.052 0.000 2.062 410 R HA 0.066 4.406 4.340 -0.000 0.000 0.229 410 R C 2.061 178.357 176.300 -0.006 0.000 1.128 410 R CA 1.308 57.429 56.100 0.035 0.000 0.960 410 R CB -0.426 29.920 30.300 0.077 0.000 0.855 410 R HN 0.367 nan 8.270 nan 0.000 0.432 411 F N 1.895 121.762 119.950 -0.139 0.000 2.206 411 F HA -0.115 4.411 4.527 -0.000 0.000 0.298 411 F C 2.017 177.596 175.800 -0.368 0.000 1.090 411 F CA 1.267 59.098 58.000 -0.282 0.000 1.323 411 F CB -0.185 38.595 39.000 -0.367 0.000 1.028 411 F HN -0.050 nan 8.300 nan 0.000 0.492 412 N N -0.026 118.544 118.700 -0.217 0.000 2.289 412 N HA -0.176 4.564 4.740 -0.000 0.000 0.184 412 N C 1.706 177.165 175.510 -0.084 0.000 1.016 412 N CA 0.998 53.956 53.050 -0.154 0.000 0.872 412 N CB -0.151 38.102 38.487 -0.390 0.000 0.973 412 N HN 0.290 nan 8.380 nan 0.000 0.433 413 Q N -0.273 119.443 119.800 -0.140 0.000 2.119 413 Q HA 0.022 4.362 4.340 -0.000 0.000 0.201 413 Q C 1.977 177.873 176.000 -0.174 0.000 0.972 413 Q CA 1.270 57.005 55.803 -0.114 0.000 0.847 413 Q CB -0.480 28.200 28.738 -0.096 0.000 0.903 413 Q HN 0.473 nan 8.270 nan 0.000 0.433 414 A N 0.017 122.656 122.820 -0.302 0.000 1.898 414 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 414 A C 2.007 179.387 177.584 -0.339 0.000 1.181 414 A CA 1.194 52.999 52.037 -0.387 0.000 0.620 414 A CB -0.960 17.632 19.000 -0.680 0.000 0.819 414 A HN 0.390 nan 8.150 nan 0.000 0.442 415 Y N -0.019 119.996 120.300 -0.476 0.000 2.114 415 Y HA -0.288 4.262 4.550 -0.000 0.000 0.282 415 Y C 2.395 178.249 175.900 -0.077 0.000 1.165 415 Y CA 2.505 60.469 58.100 -0.225 0.000 1.148 415 Y CB -0.238 38.215 38.460 -0.011 0.000 0.972 415 Y HN 0.290 nan 8.280 nan 0.000 0.504 416 M N -1.323 118.332 119.600 0.092 0.000 2.254 416 M HA -0.160 4.320 4.480 -0.000 0.000 0.265 416 M C 2.242 178.469 176.300 -0.122 0.000 1.066 416 M CA 1.405 56.742 55.300 0.061 0.000 1.123 416 M CB -0.144 32.504 32.600 0.080 0.000 1.388 416 M HN 0.424 nan 8.290 nan 0.000 0.425 417 M N -0.307 119.160 119.600 -0.223 0.000 2.267 417 M HA -0.221 4.259 4.480 -0.000 0.000 0.263 417 M C 1.164 177.081 176.300 -0.638 0.000 1.063 417 M CA 1.817 56.863 55.300 -0.424 0.000 1.090 417 M CB -0.142 32.158 32.600 -0.499 0.000 1.392 417 M HN 0.203 nan 8.290 nan 0.000 0.422 418 H N -1.355 117.575 119.070 -0.234 0.000 2.785 418 H HA 0.520 5.076 4.556 -0.000 0.000 0.268 418 H C -0.007 175.168 175.328 -0.255 0.000 1.153 418 H CA 0.293 56.198 56.048 -0.239 0.000 1.111 418 H CB -0.120 29.481 29.762 -0.269 0.000 1.633 418 H HN 0.367 nan 8.280 nan 0.000 0.576 419 A N 0.786 123.487 122.820 -0.198 0.000 2.248 419 A HA 0.477 4.797 4.320 -0.000 0.000 0.316 419 A C 0.331 177.876 177.584 -0.065 0.000 1.101 419 A CA -0.337 51.608 52.037 -0.154 0.000 0.875 419 A CB 1.001 19.947 19.000 -0.090 0.000 1.207 419 A HN 0.162 nan 8.150 nan 0.000 0.504 420 T N -1.238 113.303 114.554 -0.022 0.000 2.859 420 T HA 0.421 4.771 4.350 -0.000 0.000 0.281 420 T C 1.183 175.887 174.700 0.006 0.000 1.005 420 T CA 0.245 62.338 62.100 -0.012 0.000 1.025 420 T CB 0.748 69.612 68.868 -0.006 0.000 0.977 420 T HN 0.910 nan 8.240 nan 0.000 0.458 421 T N 1.220 115.772 114.554 -0.003 0.000 3.072 421 T HA 0.081 4.430 4.350 -0.000 0.000 0.266 421 T C 0.748 175.440 174.700 -0.014 0.000 1.127 421 T CA 0.176 62.274 62.100 -0.002 0.000 1.107 421 T CB -0.034 68.831 68.868 -0.006 0.000 0.910 421 T HN 0.413 nan 8.240 nan 0.000 0.513 422 S N 3.102 118.792 115.700 -0.017 0.000 2.080 422 S HA 0.377 4.847 4.470 -0.000 0.000 0.162 422 S C -2.572 172.002 174.600 -0.043 0.000 1.618 422 S CA -1.162 57.013 58.200 -0.042 0.000 1.200 422 S CB 0.709 63.890 63.200 -0.032 0.000 1.135 422 S HN 0.416 nan 8.310 nan 0.000 0.455 423 P HA 0.197 nan 4.420 nan 0.000 0.275 423 P C -0.482 176.803 177.300 -0.026 0.000 1.228 423 P CA -0.707 62.411 63.100 0.030 0.000 0.786 423 P CB 0.590 32.373 31.700 0.137 0.000 0.927 424 L N 4.258 125.509 121.223 0.047 0.000 2.407 424 L HA 0.092 4.432 4.340 -0.000 0.000 0.282 424 L C 0.742 177.744 176.870 0.220 0.000 1.110 424 L CA -0.055 54.822 54.840 0.062 0.000 0.863 424 L CB -0.768 41.325 42.059 0.057 0.000 1.207 424 L HN 0.222 nan 8.230 nan 0.000 0.454 425 Y N 3.644 124.031 120.300 0.145 0.000 2.403 425 Y HA -0.153 4.397 4.550 -0.000 0.000 0.291 425 Y C 2.220 178.193 175.900 0.122 0.000 1.143 425 Y CA 0.768 58.974 58.100 0.177 0.000 1.257 425 Y CB -1.151 37.434 38.460 0.207 0.000 0.984 425 Y HN 0.785 nan 8.280 nan 0.000 0.550 426 A N 0.224 123.181 122.820 0.227 0.000 1.933 426 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 426 A C 2.345 179.973 177.584 0.074 0.000 1.175 426 A CA 1.537 53.640 52.037 0.110 0.000 0.628 426 A CB -0.959 18.057 19.000 0.026 0.000 0.814 426 A HN 0.423 nan 8.150 nan 0.000 0.444 427 I N -0.446 120.178 120.570 0.091 0.000 2.179 427 I HA -0.336 3.834 4.170 -0.000 0.000 0.242 427 I C 2.490 178.654 176.117 0.078 0.000 1.088 427 I CA 1.285 62.623 61.300 0.064 0.000 1.357 427 I CB -0.586 37.449 38.000 0.058 0.000 1.051 427 I HN 0.390 nan 8.210 nan 0.000 0.409 428 C N 0.823 120.209 119.300 0.144 0.000 2.429 428 C HA -0.100 4.359 4.460 -0.000 0.000 0.277 428 C C 3.222 178.263 174.990 0.085 0.000 1.262 428 C CA 0.640 59.741 59.018 0.139 0.000 1.733 428 C CB -1.366 26.523 27.740 0.248 0.000 2.010 428 C HN 0.599 nan 8.230 nan 0.000 0.483 429 A N 1.737 124.606 122.820 0.083 0.000 1.892 429 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 429 A C 2.353 179.913 177.584 -0.040 0.000 1.188 429 A CA 2.921 54.988 52.037 0.050 0.000 0.631 429 A CB -1.116 17.933 19.000 0.082 0.000 0.822 429 A HN 0.735 nan 8.150 nan 0.000 0.447 430 S N -0.141 115.531 115.700 -0.047 0.000 2.399 430 S HA -0.202 4.268 4.470 -0.000 0.000 0.231 430 S C 1.788 176.404 174.600 0.027 0.000 1.022 430 S CA 1.569 59.739 58.200 -0.051 0.000 0.983 430 S CB -0.663 62.517 63.200 -0.032 0.000 0.803 430 S HN 0.525 nan 8.310 nan 0.000 0.480 431 N N 2.081 120.813 118.700 0.055 0.000 2.223 431 N HA -0.079 4.661 4.740 -0.000 0.000 0.185 431 N C 1.368 177.016 175.510 0.230 0.000 1.016 431 N CA 1.463 54.576 53.050 0.105 0.000 0.863 431 N CB -0.644 37.823 38.487 -0.034 0.000 0.983 431 N HN 0.608 nan 8.380 nan 0.000 0.429 432 D N -0.975 119.535 120.400 0.183 0.000 2.162 432 D HA -0.004 4.636 4.640 -0.000 0.000 0.203 432 D C 1.803 178.234 176.300 0.218 0.000 0.967 432 D CA 0.475 54.616 54.000 0.235 0.000 0.840 432 D CB 0.124 41.037 40.800 0.189 0.000 0.972 432 D HN -0.010 nan 8.370 nan 0.000 0.482 433 V N 0.613 120.599 119.914 0.121 0.000 2.548 433 V HA -0.106 4.014 4.120 -0.000 0.000 0.249 433 V C 2.518 178.666 176.094 0.091 0.000 1.055 433 V CA 1.418 63.765 62.300 0.078 0.000 1.065 433 V CB -0.669 31.114 31.823 -0.066 0.000 0.681 433 V HN 0.288 nan 8.190 nan 0.000 0.462 434 A N 0.065 122.954 122.820 0.115 0.000 1.908 434 A HA -0.188 4.131 4.320 -0.000 0.000 0.218 434 A C 2.388 180.064 177.584 0.154 0.000 1.181 434 A CA 2.320 54.441 52.037 0.140 0.000 0.627 434 A CB -0.675 18.444 19.000 0.198 0.000 0.818 434 A HN 0.351 nan 8.150 nan 0.000 0.445 435 V N -0.561 119.466 119.914 0.189 0.000 2.307 435 V HA -0.201 3.918 4.120 -0.000 0.000 0.245 435 V C 2.781 178.843 176.094 -0.053 0.000 1.045 435 V CA 2.207 64.571 62.300 0.108 0.000 1.024 435 V CB -0.890 30.933 31.823 -0.002 0.000 0.651 435 V HN 0.683 nan 8.190 nan 0.000 0.449 436 S N -0.194 115.575 115.700 0.115 0.000 2.365 436 S HA -0.289 4.181 4.470 -0.000 0.000 0.225 436 S C 2.000 176.616 174.600 0.026 0.000 1.039 436 S CA 2.270 60.575 58.200 0.175 0.000 1.033 436 S CB -0.365 62.963 63.200 0.213 0.000 0.887 436 S HN 0.538 nan 8.310 nan 0.000 0.447 437 M N 0.112 119.705 119.600 -0.012 0.000 2.358 437 M HA -0.004 4.475 4.480 -0.000 0.000 0.264 437 M C 1.452 177.640 176.300 -0.186 0.000 1.064 437 M CA 0.969 56.233 55.300 -0.060 0.000 1.093 437 M CB -0.258 32.323 32.600 -0.031 0.000 1.401 437 M HN 0.360 nan 8.290 nan 0.000 0.440 438 M N -0.840 118.548 119.600 -0.354 0.000 2.428 438 M HA 0.148 4.627 4.480 -0.000 0.000 0.239 438 M C -0.003 175.875 176.300 -0.703 0.000 1.121 438 M CA 0.249 55.075 55.300 -0.789 0.000 1.019 438 M CB -0.867 30.853 32.600 -1.467 0.000 1.485 438 M HN -0.034 nan 8.290 nan 0.000 0.484 439 D N 1.550 121.737 120.400 -0.355 0.000 2.343 439 D HA 0.433 5.073 4.640 -0.000 0.000 0.255 439 D C 0.994 177.237 176.300 -0.094 0.000 1.187 439 D CA 1.423 55.311 54.000 -0.186 0.000 0.875 439 D CB 0.697 41.491 40.800 -0.011 0.000 1.136 439 D HN 0.485 nan 8.370 nan 0.000 0.469 440 G N 4.739 113.503 108.800 -0.059 0.000 2.525 440 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.248 440 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.248 440 G C 1.104 175.992 174.900 -0.020 0.000 1.238 440 G CA 0.165 45.254 45.100 -0.017 0.000 0.926 440 G HN 0.527 nan 8.290 nan 0.000 0.574 441 N N 1.155 119.851 118.700 -0.005 0.000 2.149 441 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 441 N C 2.667 178.173 175.510 -0.006 0.000 1.019 441 N CA 2.382 55.434 53.050 0.003 0.000 0.857 441 N CB -0.535 37.964 38.487 0.020 0.000 0.997 441 N HN 0.932 nan 8.380 nan 0.000 0.426 442 S N -0.663 115.025 115.700 -0.021 0.000 2.402 442 S HA -0.022 4.448 4.470 -0.000 0.000 0.229 442 S C 2.158 176.716 174.600 -0.069 0.000 1.021 442 S CA 1.028 59.210 58.200 -0.031 0.000 0.974 442 S CB -0.948 62.237 63.200 -0.025 0.000 0.800 442 S HN 0.367 nan 8.310 nan 0.000 0.484 443 G N 2.074 110.795 108.800 -0.133 0.000 2.440 443 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.218 443 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.218 443 G C 1.358 176.258 174.900 0.000 0.000 1.154 443 G CA 1.062 46.052 45.100 -0.183 0.000 0.767 443 G HN 0.477 nan 8.290 nan 0.000 0.552 444 L N 0.920 122.159 121.223 0.027 0.000 2.027 444 L HA 0.080 4.420 4.340 -0.000 0.000 0.206 444 L C 2.872 179.755 176.870 0.022 0.000 1.074 444 L CA 2.589 57.455 54.840 0.045 0.000 0.745 444 L CB -0.896 41.181 42.059 0.031 0.000 0.898 444 L HN 0.220 nan 8.230 nan 0.000 0.433 445 S N -0.995 114.710 115.700 0.008 0.000 2.368 445 S HA -0.147 4.323 4.470 -0.000 0.000 0.225 445 S C 2.037 176.640 174.600 0.005 0.000 1.030 445 S CA 1.614 59.816 58.200 0.004 0.000 0.999 445 S CB -0.398 62.805 63.200 0.005 0.000 0.844 445 S HN 0.478 nan 8.310 nan 0.000 0.459 446 L N 1.047 122.270 121.223 0.000 0.000 2.044 446 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 446 L C 3.052 179.926 176.870 0.007 0.000 1.075 446 L CA 1.679 56.519 54.840 0.001 0.000 0.747 446 L CB -1.095 40.956 42.059 -0.013 0.000 0.903 446 L HN 0.516 nan 8.230 nan 0.000 0.435 447 T N -3.416 111.152 114.554 0.023 0.000 2.746 447 T HA -0.266 4.084 4.350 -0.000 0.000 0.267 447 T C 1.828 176.534 174.700 0.010 0.000 1.039 447 T CA 1.239 63.359 62.100 0.034 0.000 1.142 447 T CB -0.298 68.654 68.868 0.140 0.000 0.866 447 T HN 0.095 nan 8.240 nan 0.000 0.444 448 Q N 1.685 121.488 119.800 0.005 0.000 2.135 448 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 448 Q C 2.197 178.188 176.000 -0.015 0.000 0.981 448 Q CA 2.180 57.972 55.803 -0.019 0.000 0.856 448 Q CB -0.554 28.174 28.738 -0.018 0.000 0.902 448 Q HN 0.830 nan 8.270 nan 0.000 0.425 449 E N -1.234 118.970 120.200 0.005 0.000 2.077 449 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 449 E C 1.695 178.323 176.600 0.045 0.000 0.989 449 E CA 1.511 57.928 56.400 0.028 0.000 0.800 449 E CB 0.092 29.815 29.700 0.038 0.000 0.746 449 E HN 0.294 nan 8.360 nan 0.000 0.452 450 V N 1.182 121.113 119.914 0.029 0.000 2.358 450 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 450 V C 2.403 178.499 176.094 0.003 0.000 1.047 450 V CA 1.565 63.900 62.300 0.058 0.000 1.035 450 V CB -0.462 31.361 31.823 0.001 0.000 0.658 450 V HN 0.318 nan 8.190 nan 0.000 0.452 451 I N 0.471 121.003 120.570 -0.063 0.000 2.163 451 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 451 I C 2.316 178.363 176.117 -0.116 0.000 1.085 451 I CA 1.754 62.969 61.300 -0.141 0.000 1.347 451 I CB -0.535 37.359 38.000 -0.177 0.000 1.044 451 I HN 0.298 nan 8.210 nan 0.000 0.408 452 D N 0.508 120.877 120.400 -0.051 0.000 2.144 452 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 452 D C 2.194 178.493 176.300 -0.002 0.000 0.984 452 D CA 0.993 54.979 54.000 -0.024 0.000 0.834 452 D CB -0.204 40.602 40.800 0.009 0.000 0.955 452 D HN 0.304 nan 8.370 nan 0.000 0.465 453 E N 0.647 120.883 120.200 0.060 0.000 2.047 453 E HA -0.072 4.277 4.350 -0.000 0.000 0.191 453 E C 2.144 178.645 176.600 -0.165 0.000 0.987 453 E CA 0.827 57.329 56.400 0.170 0.000 0.799 453 E CB -0.323 29.636 29.700 0.432 0.000 0.752 453 E HN 0.201 nan 8.360 nan 0.000 0.449 454 A N 1.086 123.635 122.820 -0.451 0.000 1.908 454 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 454 A C 2.607 179.924 177.584 -0.444 0.000 1.181 454 A CA 1.588 53.068 52.037 -0.927 0.000 0.627 454 A CB -0.667 17.897 19.000 -0.726 0.000 0.818 454 A HN 0.138 nan 8.150 nan 0.000 0.445 455 V N 0.347 120.120 119.914 -0.234 0.000 2.453 455 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 455 V C 2.146 178.141 176.094 -0.166 0.000 1.048 455 V CA 2.107 64.363 62.300 -0.074 0.000 1.049 455 V CB -0.785 31.041 31.823 0.004 0.000 0.672 455 V HN 0.476 nan 8.190 nan 0.000 0.457 456 D N -0.205 120.046 120.400 -0.247 0.000 2.116 456 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 456 D C 1.882 177.706 176.300 -0.793 0.000 0.998 456 D CA 1.374 55.156 54.000 -0.364 0.000 0.836 456 D CB -0.335 40.363 40.800 -0.169 0.000 0.951 456 D HN 0.400 nan 8.370 nan 0.000 0.449 457 F N 2.078 121.268 119.950 -1.268 0.000 2.046 457 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 457 F C 2.300 177.836 175.800 -0.440 0.000 1.123 457 F CA 1.479 58.827 58.000 -1.086 0.000 1.199 457 F CB -0.456 38.171 39.000 -0.621 0.000 0.972 457 F HN -0.172 nan 8.300 nan 0.000 0.474 458 R N -0.059 120.194 120.500 -0.412 0.000 2.096 458 R HA -0.229 4.111 4.340 -0.000 0.000 0.240 458 R C 2.275 178.551 176.300 -0.039 0.000 1.139 458 R CA 2.125 58.065 56.100 -0.266 0.000 0.952 458 R CB -0.726 29.573 30.300 -0.002 0.000 0.854 458 R HN 0.484 nan 8.270 nan 0.000 0.436 459 Q N -0.275 119.544 119.800 0.033 0.000 2.167 459 Q HA -0.065 4.274 4.340 -0.000 0.000 0.202 459 Q C 2.224 178.226 176.000 0.004 0.000 0.970 459 Q CA 1.245 57.081 55.803 0.056 0.000 0.855 459 Q CB -0.037 28.651 28.738 -0.085 0.000 0.911 459 Q HN 0.387 nan 8.270 nan 0.000 0.438 460 A N 0.881 123.650 122.820 -0.084 0.000 1.877 460 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 460 A C 2.053 179.695 177.584 0.097 0.000 1.186 460 A CA 1.222 53.274 52.037 0.025 0.000 0.620 460 A CB -0.338 18.693 19.000 0.052 0.000 0.822 460 A HN 0.222 nan 8.150 nan 0.000 0.443 461 M N -0.324 119.279 119.600 0.005 0.000 2.117 461 M HA -0.111 4.368 4.480 -0.000 0.000 0.262 461 M C 2.513 178.946 176.300 0.222 0.000 1.065 461 M CA 1.619 56.996 55.300 0.128 0.000 1.114 461 M CB -1.570 30.943 32.600 -0.146 0.000 1.361 461 M HN 0.489 nan 8.290 nan 0.000 0.408 462 A N 0.126 123.018 122.820 0.121 0.000 1.933 462 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 462 A C 2.353 180.073 177.584 0.227 0.000 1.175 462 A CA 1.554 53.697 52.037 0.177 0.000 0.628 462 A CB -0.574 18.536 19.000 0.184 0.000 0.814 462 A HN 0.448 nan 8.150 nan 0.000 0.444 463 R N -0.666 119.929 120.500 0.158 0.000 2.066 463 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 463 R C 2.077 178.429 176.300 0.087 0.000 1.131 463 R CA 1.468 57.631 56.100 0.106 0.000 0.955 463 R CB -0.482 29.856 30.300 0.064 0.000 0.851 463 R HN 0.502 nan 8.270 nan 0.000 0.432 464 L N -0.694 120.597 121.223 0.114 0.000 2.046 464 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 464 L C 2.365 179.324 176.870 0.149 0.000 1.077 464 L CA 1.237 56.086 54.840 0.016 0.000 0.747 464 L CB -0.525 41.536 42.059 0.003 0.000 0.896 464 L HN 0.213 nan 8.230 nan 0.000 0.432 465 Y N 1.062 121.537 120.300 0.291 0.000 2.128 465 Y HA -0.315 4.234 4.550 -0.000 0.000 0.284 465 Y C 2.637 178.656 175.900 0.197 0.000 1.154 465 Y CA 1.726 60.039 58.100 0.355 0.000 1.149 465 Y CB -0.103 38.542 38.460 0.309 0.000 0.976 465 Y HN -0.024 nan 8.280 nan 0.000 0.505 466 K N -0.002 120.484 120.400 0.143 0.000 2.063 466 K HA -0.259 4.060 4.320 -0.000 0.000 0.208 466 K C 2.220 178.773 176.600 -0.078 0.000 1.048 466 K CA 1.830 58.126 56.287 0.015 0.000 0.928 466 K CB -0.252 32.294 32.500 0.077 0.000 0.713 466 K HN 0.500 nan 8.250 nan 0.000 0.442 467 E N 0.116 120.253 120.200 -0.103 0.000 2.031 467 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 467 E C 1.892 178.331 176.600 -0.268 0.000 0.994 467 E CA 1.167 57.440 56.400 -0.212 0.000 0.800 467 E CB -0.095 29.423 29.700 -0.303 0.000 0.752 467 E HN 0.213 nan 8.360 nan 0.000 0.447 468 F N 0.898 120.706 119.950 -0.237 0.000 2.095 468 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 468 F C 2.713 178.386 175.800 -0.212 0.000 1.104 468 F CA 1.647 59.498 58.000 -0.249 0.000 1.232 468 F CB -0.483 38.332 39.000 -0.309 0.000 0.987 468 F HN 0.085 nan 8.300 nan 0.000 0.475 469 T N -0.196 114.294 114.554 -0.107 0.000 2.684 469 T HA -0.244 4.105 4.350 -0.000 0.000 0.267 469 T C 2.185 176.840 174.700 -0.075 0.000 1.036 469 T CA 1.353 63.358 62.100 -0.159 0.000 1.148 469 T CB -0.688 67.982 68.868 -0.329 0.000 0.863 469 T HN 0.329 nan 8.240 nan 0.000 0.436 470 A N 1.213 123.984 122.820 -0.080 0.000 2.070 470 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 470 A C 1.837 179.393 177.584 -0.047 0.000 1.159 470 A CA 1.650 53.653 52.037 -0.056 0.000 0.656 470 A CB -0.544 18.418 19.000 -0.063 0.000 0.800 470 A HN 0.448 nan 8.150 nan 0.000 0.453 471 D N -1.500 118.870 120.400 -0.049 0.000 2.340 471 D HA 0.331 4.971 4.640 -0.000 0.000 0.220 471 D C 1.133 177.441 176.300 0.013 0.000 1.039 471 D CA 1.007 54.992 54.000 -0.026 0.000 0.866 471 D CB 0.010 40.783 40.800 -0.045 0.000 0.913 471 D HN 0.509 nan 8.370 nan 0.000 0.523 472 G N 0.748 109.558 108.800 0.018 0.000 2.246 472 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.273 472 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.273 472 G C 0.181 175.127 174.900 0.077 0.000 1.055 472 G CA 0.567 45.691 45.100 0.040 0.000 0.851 472 G HN 0.382 nan 8.290 nan 0.000 0.500 473 S N -0.498 115.257 115.700 0.091 0.000 2.568 473 S HA 0.775 5.245 4.470 -0.000 0.000 0.293 473 S C 0.431 175.073 174.600 0.070 0.000 1.089 473 S CA -0.321 57.944 58.200 0.107 0.000 0.945 473 S CB 1.005 64.284 63.200 0.131 0.000 1.077 473 S HN 1.050 nan 8.310 nan 0.000 0.485 474 W N 3.364 124.649 121.300 -0.025 0.000 2.183 474 W HA 0.694 5.354 4.660 -0.000 0.000 0.348 474 W C -1.356 175.117 176.519 -0.075 0.000 1.257 474 W CA -0.821 56.485 57.345 -0.065 0.000 1.324 474 W CB 0.008 29.401 29.460 -0.111 0.000 1.144 474 W HN 0.538 nan 8.180 nan 0.000 0.622 475 F N 0.296 120.186 119.950 -0.100 0.000 2.773 475 F HA 0.463 4.990 4.527 -0.000 0.000 0.314 475 F C -1.193 174.685 175.800 0.129 0.000 1.160 475 F CA -2.259 55.530 58.000 -0.352 0.000 0.920 475 F CB 0.830 39.659 39.000 -0.285 0.000 1.323 475 F HN 0.194 nan 8.300 nan 0.000 0.457 476 F N 2.408 122.034 119.950 -0.539 0.000 2.440 476 F HA 0.487 5.014 4.527 -0.000 0.000 0.323 476 F C 0.035 175.821 175.800 -0.023 0.000 1.192 476 F CA -0.020 57.837 58.000 -0.239 0.000 1.252 476 F CB 0.619 39.370 39.000 -0.414 0.000 1.214 476 F HN 0.325 nan 8.300 nan 0.000 0.578 477 K N 0.983 121.425 120.400 0.069 0.000 2.508 477 K HA 0.568 4.888 4.320 -0.000 0.000 0.260 477 K C -3.391 173.142 176.600 -0.112 0.000 0.949 477 K CA -2.153 54.057 56.287 -0.129 0.000 0.834 477 K CB 2.286 34.399 32.500 -0.645 0.000 1.365 477 K HN 0.147 nan 8.250 nan 0.000 0.437 478 P HA 0.003 nan 4.420 nan 0.000 0.278 478 P C -1.162 176.077 177.300 -0.102 0.000 1.238 478 P CA -0.202 62.795 63.100 -0.171 0.000 0.794 478 P CB 0.384 31.890 31.700 -0.322 0.000 0.955 479 W N 6.187 127.371 121.300 -0.192 0.000 2.360 479 W HA 0.267 4.927 4.660 -0.000 0.000 0.344 479 W C -0.363 176.093 176.519 -0.105 0.000 1.025 479 W CA 0.035 57.315 57.345 -0.108 0.000 1.480 479 W CB -0.431 28.997 29.460 -0.053 0.000 1.350 479 W HN 0.442 nan 8.180 nan 0.000 0.382 480 N N 3.084 121.431 118.700 -0.589 0.000 3.277 480 N HA 0.279 5.019 4.740 -0.000 0.000 0.278 480 N C -1.201 173.331 175.510 -1.630 0.000 1.544 480 N CA -1.118 51.203 53.050 -1.215 0.000 0.869 480 N CB 0.988 38.801 38.487 -1.123 0.000 1.584 480 N HN 0.025 nan 8.380 nan 0.000 0.564 481 K N 0.684 119.847 120.400 -2.061 0.000 2.485 481 K HA -0.017 4.302 4.320 -0.000 0.000 0.277 481 K C 0.680 176.821 176.600 -0.766 0.000 0.990 481 K CA 0.467 55.813 56.287 -1.569 0.000 0.994 481 K CB 0.908 32.825 32.500 -0.970 0.000 0.906 481 K HN 0.560 nan 8.250 nan 0.000 0.488 482 E N 0.610 120.565 120.200 -0.408 0.000 2.122 482 E HA -0.035 4.315 4.350 -0.000 0.000 0.190 482 E C 0.084 176.658 176.600 -0.043 0.000 0.977 482 E CA 0.564 56.873 56.400 -0.151 0.000 0.820 482 E CB 0.359 30.038 29.700 -0.035 0.000 0.770 482 E HN 0.147 nan 8.360 nan 0.000 0.462 483 V N 1.464 121.347 119.914 -0.052 0.000 2.638 483 V HA 0.310 4.430 4.120 -0.000 0.000 0.306 483 V C -0.759 175.325 176.094 -0.016 0.000 1.052 483 V CA -0.737 61.564 62.300 0.002 0.000 0.885 483 V CB 2.368 34.206 31.823 0.024 0.000 0.999 483 V HN -0.114 nan 8.190 nan 0.000 0.424 484 V N 3.462 123.380 119.914 0.007 0.000 2.823 484 V HA 0.669 4.789 4.120 -0.000 0.000 0.312 484 V C -0.184 175.950 176.094 0.067 0.000 1.072 484 V CA -0.260 62.029 62.300 -0.018 0.000 0.937 484 V CB 2.920 34.676 31.823 -0.111 0.000 1.013 484 V HN 0.939 nan 8.190 nan 0.000 0.430 485 T N 2.543 117.128 114.554 0.052 0.000 2.824 485 T HA 0.270 4.620 4.350 -0.000 0.000 0.282 485 T C -0.841 173.906 174.700 0.078 0.000 0.993 485 T CA -0.339 61.810 62.100 0.083 0.000 0.967 485 T CB 1.217 70.115 68.868 0.050 0.000 0.960 485 T HN 0.710 nan 8.240 nan 0.000 0.441 486 D N 4.472 124.951 120.400 0.130 0.000 2.338 486 D HA 0.155 4.794 4.640 -0.000 0.000 0.255 486 D C -1.279 175.057 176.300 0.059 0.000 1.237 486 D CA -2.100 51.954 54.000 0.089 0.000 0.883 486 D CB 1.405 42.297 40.800 0.154 0.000 1.087 486 D HN 0.148 nan 8.370 nan 0.000 0.485 487 P HA -0.054 nan 4.420 nan 0.000 0.237 487 P C 0.883 178.198 177.300 0.026 0.000 1.178 487 P CA 0.502 63.621 63.100 0.033 0.000 0.766 487 P CB 0.570 32.290 31.700 0.034 0.000 0.876 488 Q N -0.393 119.423 119.800 0.026 0.000 2.212 488 Q HA -0.008 4.332 4.340 -0.000 0.000 0.199 488 Q C 1.868 177.881 176.000 0.021 0.000 0.950 488 Q CA 1.970 57.785 55.803 0.020 0.000 0.863 488 Q CB -0.390 28.358 28.738 0.017 0.000 0.944 488 Q HN 0.405 nan 8.270 nan 0.000 0.465 489 T N -5.032 109.540 114.554 0.030 0.000 2.955 489 T HA 0.306 4.656 4.350 -0.000 0.000 0.251 489 T C 1.401 176.108 174.700 0.013 0.000 1.002 489 T CA 0.912 63.027 62.100 0.024 0.000 0.970 489 T CB 0.748 69.638 68.868 0.037 0.000 1.091 489 T HN 0.319 nan 8.240 nan 0.000 0.495 490 G N 1.800 110.611 108.800 0.018 0.000 2.179 490 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 490 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 490 G C 0.010 174.904 174.900 -0.010 0.000 0.977 490 G CA 0.488 45.591 45.100 0.005 0.000 0.641 490 G HN 0.884 nan 8.290 nan 0.000 0.533 491 K N 0.807 121.201 120.400 -0.009 0.000 2.355 491 K HA 0.475 4.795 4.320 -0.000 0.000 0.270 491 K C -0.103 176.434 176.600 -0.105 0.000 1.003 491 K CA 0.417 56.650 56.287 -0.091 0.000 0.957 491 K CB 0.328 32.765 32.500 -0.106 0.000 0.939 491 K HN 0.056 nan 8.250 nan 0.000 0.482 492 T N 2.937 117.330 114.554 -0.268 0.000 2.855 492 T HA 0.466 4.815 4.350 -0.000 0.000 0.281 492 T C -1.536 172.938 174.700 -0.377 0.000 1.007 492 T CA -0.371 61.625 62.100 -0.173 0.000 1.009 492 T CB 0.378 69.183 68.868 -0.105 0.000 0.983 492 T HN 0.422 nan 8.240 nan 0.000 0.455 493 Y N 0.483 120.753 120.300 -0.051 0.000 2.534 493 Y HA 0.343 4.893 4.550 -0.000 0.000 0.345 493 Y C 0.031 175.898 175.900 -0.054 0.000 1.031 493 Y CA -1.427 56.637 58.100 -0.060 0.000 1.022 493 Y CB 1.250 39.656 38.460 -0.091 0.000 1.292 493 Y HN 0.493 nan 8.280 nan 0.000 0.459 494 D N 1.393 121.865 120.400 0.121 0.000 2.488 494 D HA -0.054 4.586 4.640 -0.000 0.000 0.238 494 D C 0.667 177.012 176.300 0.074 0.000 1.138 494 D CA 0.481 54.534 54.000 0.089 0.000 0.873 494 D CB 0.421 41.270 40.800 0.081 0.000 1.183 494 D HN 0.526 nan 8.370 nan 0.000 0.458 495 F N 2.782 122.679 119.950 -0.089 0.000 2.115 495 F HA -0.299 4.227 4.527 -0.000 0.000 0.300 495 F C 2.062 177.793 175.800 -0.115 0.000 1.092 495 F CA 2.029 59.931 58.000 -0.163 0.000 1.245 495 F CB 0.044 38.895 39.000 -0.248 0.000 0.995 495 F HN 0.451 nan 8.300 nan 0.000 0.481 496 A N -0.547 122.340 122.820 0.111 0.000 1.969 496 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 496 A C 1.788 179.352 177.584 -0.034 0.000 1.169 496 A CA 1.902 53.972 52.037 0.055 0.000 0.635 496 A CB -0.665 18.400 19.000 0.109 0.000 0.810 496 A HN 0.459 nan 8.150 nan 0.000 0.445 497 D N -0.144 120.247 120.400 -0.016 0.000 2.346 497 D HA 0.268 4.908 4.640 -0.000 0.000 0.206 497 D C 1.023 177.277 176.300 -0.076 0.000 1.001 497 D CA 0.751 54.754 54.000 0.004 0.000 0.871 497 D CB -0.358 40.500 40.800 0.097 0.000 0.943 497 D HN 0.405 nan 8.370 nan 0.000 0.518 498 A N 2.234 124.929 122.820 -0.209 0.000 2.561 498 A HA 0.213 4.532 4.320 -0.000 0.000 0.234 498 A C -2.206 175.087 177.584 -0.484 0.000 1.055 498 A CA -0.596 51.148 52.037 -0.489 0.000 0.756 498 A CB -0.258 18.430 19.000 -0.521 0.000 0.986 498 A HN -0.079 nan 8.150 nan 0.000 0.505 499 P HA 0.090 nan 4.420 nan 0.000 0.267 499 P C 1.259 178.372 177.300 -0.313 0.000 1.209 499 P CA 0.465 63.341 63.100 -0.374 0.000 0.763 499 P CB 0.625 32.105 31.700 -0.367 0.000 0.816 500 T N 1.481 115.897 114.554 -0.229 0.000 2.699 500 T HA -0.287 4.063 4.350 -0.000 0.000 0.268 500 T C 1.668 176.277 174.700 -0.152 0.000 1.036 500 T CA 1.335 63.319 62.100 -0.193 0.000 1.147 500 T CB -0.662 68.129 68.868 -0.128 0.000 0.862 500 T HN 0.322 nan 8.240 nan 0.000 0.446 501 K N 0.200 120.521 120.400 -0.131 0.000 2.152 501 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 501 K C 2.263 178.802 176.600 -0.101 0.000 1.048 501 K CA 1.325 57.552 56.287 -0.099 0.000 0.933 501 K CB -0.372 32.076 32.500 -0.086 0.000 0.721 501 K HN 0.359 nan 8.250 nan 0.000 0.447 502 L N 1.532 122.663 121.223 -0.153 0.000 1.989 502 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 502 L C 1.914 178.725 176.870 -0.098 0.000 1.071 502 L CA 1.686 56.436 54.840 -0.150 0.000 0.749 502 L CB -0.542 41.363 42.059 -0.257 0.000 0.890 502 L HN 0.208 nan 8.230 nan 0.000 0.431 503 L N -0.805 120.333 121.223 -0.142 0.000 2.131 503 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 503 L C 2.129 179.139 176.870 0.234 0.000 1.092 503 L CA 1.644 56.476 54.840 -0.012 0.000 0.759 503 L CB -1.153 40.786 42.059 -0.200 0.000 0.903 503 L HN 0.560 nan 8.230 nan 0.000 0.435 504 T N -5.966 108.619 114.554 0.052 0.000 3.086 504 T HA 0.037 4.387 4.350 -0.000 0.000 0.250 504 T C 1.312 175.989 174.700 -0.038 0.000 1.074 504 T CA 0.630 62.730 62.100 -0.000 0.000 0.988 504 T CB 0.049 68.888 68.868 -0.048 0.000 0.988 504 T HN 0.395 nan 8.240 nan 0.000 0.530 505 T N -1.638 112.912 114.554 -0.006 0.000 2.993 505 T HA 0.370 4.720 4.350 -0.000 0.000 0.260 505 T C 0.163 174.863 174.700 -0.000 0.000 0.939 505 T CA -0.172 61.911 62.100 -0.029 0.000 0.886 505 T CB 0.111 68.958 68.868 -0.034 0.000 1.209 505 T HN 0.148 nan 8.240 nan 0.000 0.518 506 V N 3.166 123.111 119.914 0.051 0.000 2.328 506 V HA 0.367 4.486 4.120 -0.000 0.000 0.278 506 V C 1.533 177.718 176.094 0.152 0.000 1.021 506 V CA -0.582 61.757 62.300 0.064 0.000 0.838 506 V CB 1.265 33.105 31.823 0.029 0.000 0.999 506 V HN 0.426 nan 8.190 nan 0.000 0.447 507 Q N 3.114 122.981 119.800 0.112 0.000 2.096 507 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 507 Q C 1.524 177.622 176.000 0.163 0.000 0.982 507 Q CA 2.586 58.474 55.803 0.141 0.000 0.850 507 Q CB 0.042 28.813 28.738 0.054 0.000 0.901 507 Q HN 0.928 nan 8.270 nan 0.000 0.422 508 D N -0.880 119.586 120.400 0.109 0.000 2.265 508 D HA -0.152 4.488 4.640 -0.000 0.000 0.208 508 D C 1.325 177.632 176.300 0.012 0.000 0.977 508 D CA 1.071 55.134 54.000 0.105 0.000 0.871 508 D CB -0.051 40.839 40.800 0.151 0.000 0.925 508 D HN 0.362 nan 8.370 nan 0.000 0.485 509 C N -0.710 118.540 119.300 -0.083 0.000 2.437 509 C HA -0.030 4.430 4.460 -0.000 0.000 0.283 509 C C 1.399 175.882 174.990 -0.844 0.000 1.424 509 C CA 0.166 58.926 59.018 -0.429 0.000 1.782 509 C CB -1.351 26.085 27.740 -0.508 0.000 1.833 509 C HN 0.560 nan 8.230 nan 0.000 0.532 510 W N -1.429 119.816 121.300 -0.091 0.000 2.871 510 W HA 0.379 5.039 4.660 -0.000 0.000 0.340 510 W C 0.464 176.966 176.519 -0.028 0.000 1.058 510 W CA -0.148 57.135 57.345 -0.103 0.000 1.633 510 W CB -0.304 29.090 29.460 -0.109 0.000 1.067 510 W HN -0.244 nan 8.180 nan 0.000 0.554 511 V N 2.551 122.486 119.914 0.035 0.000 2.686 511 V HA 0.057 4.177 4.120 -0.000 0.000 0.295 511 V C 0.500 176.520 176.094 -0.123 0.000 1.055 511 V CA -0.041 62.221 62.300 -0.063 0.000 1.050 511 V CB 0.897 32.640 31.823 -0.134 0.000 0.984 511 V HN -0.041 nan 8.190 nan 0.000 0.482 512 M N 5.803 125.343 119.600 -0.099 0.000 2.201 512 M HA 0.311 4.791 4.480 -0.000 0.000 0.345 512 M C -0.453 175.751 176.300 -0.161 0.000 1.352 512 M CA -0.139 55.018 55.300 -0.239 0.000 1.218 512 M CB -0.092 32.155 32.600 -0.588 0.000 1.512 512 M HN 0.619 nan 8.290 nan 0.000 0.447 513 H N 3.085 122.295 119.070 0.233 0.000 2.487 513 H HA 0.349 4.905 4.556 -0.000 0.000 0.333 513 H C -2.247 173.222 175.328 0.236 0.000 1.114 513 H CA -2.308 53.861 56.048 0.202 0.000 1.310 513 H CB 0.477 30.351 29.762 0.186 0.000 1.462 513 H HN 0.309 nan 8.280 nan 0.000 0.516 514 P HA -0.067 nan 4.420 nan 0.000 0.263 514 P C 1.100 178.489 177.300 0.148 0.000 1.175 514 P CA 1.601 64.800 63.100 0.166 0.000 0.761 514 P CB 0.392 32.145 31.700 0.088 0.000 0.794 515 G N 2.028 110.885 108.800 0.094 0.000 2.347 515 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.247 515 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.247 515 G C 0.110 174.996 174.900 -0.024 0.000 1.037 515 G CA -0.163 44.957 45.100 0.034 0.000 0.622 515 G HN 0.582 nan 8.290 nan 0.000 0.521 516 E N 1.457 121.652 120.200 -0.008 0.000 2.493 516 E HA 0.332 4.682 4.350 -0.000 0.000 0.255 516 E C 1.597 177.921 176.600 -0.459 0.000 0.999 516 E CA 0.364 56.708 56.400 -0.093 0.000 0.934 516 E CB 0.721 30.482 29.700 0.101 0.000 0.940 516 E HN 0.532 nan 8.360 nan 0.000 0.473 517 S N 5.281 120.857 115.700 -0.207 0.000 2.522 517 S HA -0.087 4.382 4.470 -0.000 0.000 0.227 517 S C 1.606 176.090 174.600 -0.194 0.000 0.986 517 S CA -0.110 57.960 58.200 -0.217 0.000 0.929 517 S CB -0.209 62.949 63.200 -0.070 0.000 0.769 517 S HN 0.822 nan 8.310 nan 0.000 0.529 518 W N 3.425 124.617 121.300 -0.180 0.000 2.358 518 W HA -0.201 4.459 4.660 -0.000 0.000 0.303 518 W C 1.766 178.340 176.519 0.093 0.000 1.208 518 W CA 1.436 58.748 57.345 -0.055 0.000 1.274 518 W CB -1.410 27.977 29.460 -0.121 0.000 1.138 518 W HN 0.707 nan 8.180 nan 0.000 0.515 519 H N -1.302 117.177 119.070 -0.985 0.000 2.497 519 H HA 0.326 4.882 4.556 -0.000 0.000 0.282 519 H C 2.077 177.010 175.328 -0.658 0.000 1.003 519 H CA 0.863 56.339 56.048 -0.953 0.000 1.307 519 H CB -0.999 27.778 29.762 -1.641 0.000 1.437 519 H HN 0.181 nan 8.280 nan 0.000 0.544 520 G N -0.042 108.396 108.800 -0.603 0.000 2.168 520 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.263 520 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.263 520 G C -0.373 174.341 174.900 -0.310 0.000 0.977 520 G CA 0.346 45.207 45.100 -0.398 0.000 0.659 520 G HN 0.370 nan 8.290 nan 0.000 0.533 521 F N 1.587 121.727 119.950 0.318 0.000 2.464 521 F HA 0.401 4.928 4.527 -0.000 0.000 0.353 521 F C 1.069 177.033 175.800 0.273 0.000 1.191 521 F CA -0.868 57.307 58.000 0.292 0.000 1.147 521 F CB 0.761 39.939 39.000 0.297 0.000 1.294 521 F HN -0.041 nan 8.300 nan 0.000 0.583 522 K N 3.475 124.069 120.400 0.322 0.000 2.451 522 K HA -0.037 4.282 4.320 -0.000 0.000 0.280 522 K C 0.070 176.819 176.600 0.247 0.000 1.020 522 K CA 0.480 56.893 56.287 0.210 0.000 1.008 522 K CB 0.275 32.857 32.500 0.137 0.000 0.917 522 K HN 0.665 nan 8.250 nan 0.000 0.478 523 D N 1.540 122.011 120.400 0.117 0.000 3.090 523 D HA -0.239 4.401 4.640 -0.000 0.000 0.215 523 D C 0.033 176.199 176.300 -0.225 0.000 1.140 523 D CA 0.707 54.713 54.000 0.010 0.000 0.937 523 D CB -1.390 39.450 40.800 0.066 0.000 1.108 523 D HN 0.597 nan 8.370 nan 0.000 0.420 524 I N 1.029 121.470 120.570 -0.215 0.000 2.683 524 I HA 0.090 4.259 4.170 -0.000 0.000 0.286 524 I C -1.758 174.179 176.117 -0.300 0.000 1.175 524 I CA -1.065 59.935 61.300 -0.501 0.000 1.429 524 I CB 0.799 38.722 38.000 -0.128 0.000 1.371 524 I HN -0.228 nan 8.210 nan 0.000 0.569 525 P HA 0.125 nan 4.420 nan 0.000 0.274 525 P C -1.120 176.177 177.300 -0.005 0.000 1.246 525 P CA -0.353 62.638 63.100 -0.183 0.000 0.795 525 P CB 0.459 31.993 31.700 -0.277 0.000 1.006 526 D N 0.681 121.118 120.400 0.061 0.000 2.344 526 D HA 0.041 4.681 4.640 -0.000 0.000 0.244 526 D C 0.698 177.122 176.300 0.206 0.000 1.134 526 D CA 0.288 54.385 54.000 0.162 0.000 0.930 526 D CB -0.124 40.769 40.800 0.155 0.000 1.175 526 D HN 0.406 nan 8.370 nan 0.000 0.437 527 N N 0.960 119.805 118.700 0.241 0.000 2.721 527 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 527 N C -0.118 175.565 175.510 0.289 0.000 1.072 527 N CA 0.921 54.112 53.050 0.235 0.000 0.710 527 N CB -1.219 37.380 38.487 0.187 0.000 0.993 527 N HN 0.623 nan 8.380 nan 0.000 0.547 528 W N -0.462 120.868 121.300 0.050 0.000 2.952 528 W HA 0.285 4.945 4.660 -0.000 0.000 0.251 528 W C 0.092 176.643 176.519 0.054 0.000 1.144 528 W CA 0.913 58.277 57.345 0.031 0.000 1.551 528 W CB 0.047 29.502 29.460 -0.008 0.000 0.978 528 W HN 0.276 nan 8.180 nan 0.000 0.648 529 S N 0.514 116.243 115.700 0.047 0.000 2.579 529 S HA 0.665 5.135 4.470 -0.000 0.000 0.272 529 S C -0.752 173.871 174.600 0.039 0.000 1.141 529 S CA -0.871 57.299 58.200 -0.050 0.000 0.843 529 S CB 1.873 64.920 63.200 -0.255 0.000 1.122 529 S HN 0.191 nan 8.310 nan 0.000 0.468 530 M N 0.899 120.515 119.600 0.026 0.000 2.691 530 M HA 0.822 5.302 4.480 -0.000 0.000 0.293 530 M C -1.670 174.689 176.300 0.098 0.000 1.259 530 M CA -1.104 54.224 55.300 0.045 0.000 0.827 530 M CB 1.522 34.075 32.600 -0.078 0.000 1.753 530 M HN 0.653 nan 8.290 nan 0.000 0.465 531 L N 1.519 122.880 121.223 0.229 0.000 2.307 531 L HA 0.497 4.837 4.340 -0.000 0.000 0.282 531 L C -0.859 176.112 176.870 0.168 0.000 1.051 531 L CA 0.201 55.176 54.840 0.225 0.000 0.804 531 L CB 1.236 43.467 42.059 0.287 0.000 1.197 531 L HN 0.766 nan 8.230 nan 0.000 0.431 532 D N 5.904 126.375 120.400 0.118 0.000 2.325 532 D HA 0.228 4.868 4.640 -0.000 0.000 0.251 532 D C -1.886 174.346 176.300 -0.112 0.000 1.196 532 D CA -1.974 52.096 54.000 0.117 0.000 0.866 532 D CB 1.840 42.786 40.800 0.244 0.000 1.101 532 D HN 0.400 nan 8.370 nan 0.000 0.476 533 P HA -0.115 nan 4.420 nan 0.000 0.218 533 P C 1.446 178.557 177.300 -0.315 0.000 1.146 533 P CA 0.990 63.590 63.100 -0.832 0.000 0.813 533 P CB -0.082 30.889 31.700 -1.215 0.000 0.778 534 I N -4.616 115.877 120.570 -0.128 0.000 3.251 534 I HA 0.079 4.249 4.170 -0.000 0.000 0.277 534 I C 0.175 176.371 176.117 0.133 0.000 1.268 534 I CA 0.643 61.931 61.300 -0.021 0.000 1.449 534 I CB -0.313 37.692 38.000 0.009 0.000 1.083 534 I HN -0.303 nan 8.210 nan 0.000 0.464 535 K N 3.210 123.694 120.400 0.139 0.000 2.184 535 K HA 0.364 4.684 4.320 -0.000 0.000 0.259 535 K C -0.663 176.078 176.600 0.236 0.000 1.119 535 K CA -0.376 56.031 56.287 0.198 0.000 0.991 535 K CB 1.260 33.859 32.500 0.165 0.000 1.522 535 K HN 0.071 nan 8.250 nan 0.000 0.405 536 V N 2.518 122.624 119.914 0.320 0.000 2.356 536 V HA 0.059 4.179 4.120 -0.000 0.000 0.258 536 V C 0.375 176.704 176.094 0.393 0.000 1.065 536 V CA -0.385 62.123 62.300 0.345 0.000 0.935 536 V CB 0.388 32.456 31.823 0.408 0.000 1.061 536 V HN 0.470 nan 8.190 nan 0.000 0.484 537 S N 6.356 122.249 115.700 0.322 0.000 2.513 537 S HA 0.590 5.060 4.470 -0.000 0.000 0.276 537 S C -0.192 174.525 174.600 0.194 0.000 1.254 537 S CA -0.468 57.876 58.200 0.239 0.000 1.053 537 S CB 0.990 64.318 63.200 0.213 0.000 0.958 537 S HN 0.425 nan 8.310 nan 0.000 0.491 538 I N 3.143 123.807 120.570 0.156 0.000 2.493 538 I HA 0.454 4.624 4.170 -0.000 0.000 0.298 538 I C -0.343 175.801 176.117 0.045 0.000 0.998 538 I CA -0.911 60.454 61.300 0.109 0.000 1.137 538 I CB 1.340 39.461 38.000 0.202 0.000 1.310 538 I HN 0.516 nan 8.210 nan 0.000 0.445 539 L N 4.713 125.967 121.223 0.051 0.000 2.343 539 L HA 0.613 4.952 4.340 -0.000 0.000 0.278 539 L C 0.290 177.270 176.870 0.185 0.000 0.996 539 L CA -0.725 54.114 54.840 -0.001 0.000 0.831 539 L CB 1.755 43.709 42.059 -0.176 0.000 1.232 539 L HN 0.673 nan 8.230 nan 0.000 0.413 540 A N 5.657 128.642 122.820 0.275 0.000 2.371 540 A HA 0.652 4.972 4.320 -0.000 0.000 0.257 540 A C -2.284 175.393 177.584 0.155 0.000 1.089 540 A CA -1.127 51.062 52.037 0.254 0.000 0.794 540 A CB -0.188 18.989 19.000 0.295 0.000 1.029 540 A HN 0.419 nan 8.150 nan 0.000 0.488 541 P HA 0.371 nan 4.420 nan 0.000 0.272 541 P C 0.734 177.946 177.300 -0.146 0.000 1.223 541 P CA 1.033 64.108 63.100 -0.042 0.000 0.784 541 P CB 1.186 32.853 31.700 -0.055 0.000 0.923 542 G N 0.611 109.264 108.800 -0.244 0.000 2.901 542 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.194 542 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.194 542 G C -0.187 174.477 174.900 -0.393 0.000 1.020 542 G CA -0.108 44.824 45.100 -0.279 0.000 0.787 542 G HN 0.577 nan 8.290 nan 0.000 0.477 543 M N 3.302 122.524 119.600 -0.630 0.000 2.105 543 M HA 0.676 5.156 4.480 -0.000 0.000 0.350 543 M C 0.840 176.982 176.300 -0.265 0.000 1.308 543 M CA -0.697 54.310 55.300 -0.489 0.000 1.108 543 M CB 0.543 32.752 32.600 -0.652 0.000 1.622 543 M HN 0.483 nan 8.290 nan 0.000 0.468 544 G N 3.738 112.428 108.800 -0.183 0.000 2.544 544 G HA2 0.128 4.088 3.960 -0.000 0.000 0.242 544 G HA3 0.128 4.088 3.960 -0.000 0.000 0.242 544 G C 0.210 175.024 174.900 -0.142 0.000 1.247 544 G CA -0.438 44.593 45.100 -0.114 0.000 0.840 544 G HN 0.909 nan 8.290 nan 0.000 0.578 545 E N 0.040 120.188 120.200 -0.087 0.000 2.268 545 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 545 E C 1.561 178.101 176.600 -0.101 0.000 0.995 545 E CA 1.087 57.435 56.400 -0.087 0.000 0.836 545 E CB 0.208 29.887 29.700 -0.034 0.000 0.763 545 E HN 0.690 nan 8.360 nan 0.000 0.491 546 D N -0.835 119.514 120.400 -0.085 0.000 2.363 546 D HA -0.016 4.624 4.640 -0.000 0.000 0.226 546 D C 1.196 177.436 176.300 -0.100 0.000 1.020 546 D CA 0.784 54.737 54.000 -0.078 0.000 0.892 546 D CB 0.027 40.795 40.800 -0.053 0.000 0.900 546 D HN 0.180 nan 8.370 nan 0.000 0.531 547 G N -0.411 108.302 108.800 -0.146 0.000 2.141 547 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.242 547 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.242 547 G C -0.189 174.629 174.900 -0.136 0.000 0.982 547 G CA -0.047 44.952 45.100 -0.168 0.000 0.662 547 G HN 0.357 nan 8.290 nan 0.000 0.527 548 E N -0.083 120.048 120.200 -0.114 0.000 2.207 548 E HA 0.564 4.914 4.350 -0.000 0.000 0.270 548 E C 0.923 177.471 176.600 -0.087 0.000 0.927 548 E CA -0.823 55.526 56.400 -0.085 0.000 0.799 548 E CB 1.323 30.989 29.700 -0.056 0.000 1.172 548 E HN 0.285 nan 8.360 nan 0.000 0.404 549 L N 1.969 123.152 121.223 -0.067 0.000 2.456 549 L HA 0.105 4.445 4.340 -0.000 0.000 0.272 549 L C 1.034 177.947 176.870 0.072 0.000 1.189 549 L CA 0.257 55.086 54.840 -0.018 0.000 0.846 549 L CB 0.168 42.187 42.059 -0.068 0.000 1.111 549 L HN 0.368 nan 8.230 nan 0.000 0.475 550 E N 1.302 121.596 120.200 0.157 0.000 2.385 550 E HA 0.019 4.369 4.350 -0.000 0.000 0.254 550 E C 0.522 177.263 176.600 0.235 0.000 1.228 550 E CA -0.754 55.725 56.400 0.132 0.000 0.956 550 E CB 0.749 30.473 29.700 0.040 0.000 1.116 550 E HN 0.437 nan 8.360 nan 0.000 0.507 551 E N -0.023 120.248 120.200 0.119 0.000 2.160 551 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 551 E C 0.746 177.413 176.600 0.112 0.000 0.991 551 E CA 1.193 57.668 56.400 0.125 0.000 0.810 551 E CB -0.177 29.558 29.700 0.057 0.000 0.742 551 E HN 0.615 nan 8.360 nan 0.000 0.466 552 T N -3.635 110.836 114.554 -0.138 0.000 2.864 552 T HA 0.758 5.107 4.350 -0.000 0.000 0.299 552 T C 0.101 174.099 174.700 -1.170 0.000 1.166 552 T CA -0.416 61.330 62.100 -0.591 0.000 1.007 552 T CB 2.507 71.204 68.868 -0.286 0.000 1.219 552 T HN 0.100 nan 8.240 nan 0.000 0.506 553 G N -0.419 107.404 108.800 -1.629 0.000 2.495 553 G HA2 0.548 4.508 3.960 -0.000 0.000 0.294 553 G HA3 0.548 4.508 3.960 -0.000 0.000 0.294 553 G C -2.032 172.515 174.900 -0.588 0.000 1.397 553 G CA -0.580 43.882 45.100 -1.064 0.000 0.790 553 G HN 0.999 nan 8.290 nan 0.000 0.486 554 V N 1.848 121.569 119.914 -0.323 0.000 2.378 554 V HA 0.514 4.634 4.120 -0.000 0.000 0.288 554 V C -2.252 173.828 176.094 -0.024 0.000 1.016 554 V CA -1.472 60.590 62.300 -0.396 0.000 0.840 554 V CB 1.988 33.208 31.823 -1.005 0.000 0.994 554 V HN 0.574 nan 8.190 nan 0.000 0.431 555 P HA 0.274 nan 4.420 nan 0.000 0.282 555 P C 0.583 177.799 177.300 -0.141 0.000 1.262 555 P CA -0.257 62.779 63.100 -0.107 0.000 0.773 555 P CB 1.430 33.100 31.700 -0.050 0.000 0.879 556 A N 4.229 126.926 122.820 -0.206 0.000 1.978 556 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 556 A C 2.118 179.638 177.584 -0.106 0.000 1.170 556 A CA 2.050 54.008 52.037 -0.132 0.000 0.636 556 A CB -1.465 17.454 19.000 -0.135 0.000 0.810 556 A HN 0.540 nan 8.150 nan 0.000 0.448 557 A N -0.604 122.149 122.820 -0.111 0.000 1.908 557 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 557 A C 2.009 179.680 177.584 0.146 0.000 1.181 557 A CA 1.798 53.850 52.037 0.025 0.000 0.627 557 A CB -0.526 18.512 19.000 0.065 0.000 0.818 557 A HN 0.436 nan 8.150 nan 0.000 0.445 558 L N -0.403 120.854 121.223 0.057 0.000 2.131 558 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 558 L C 2.526 179.514 176.870 0.195 0.000 1.092 558 L CA 1.429 56.392 54.840 0.204 0.000 0.759 558 L CB -0.523 41.670 42.059 0.224 0.000 0.903 558 L HN 0.235 nan 8.230 nan 0.000 0.435 559 V N -1.810 118.027 119.914 -0.128 0.000 2.323 559 V HA -0.229 3.891 4.120 -0.000 0.000 0.244 559 V C 2.389 178.482 176.094 -0.002 0.000 1.041 559 V CA 1.896 63.974 62.300 -0.371 0.000 1.025 559 V CB -0.960 30.568 31.823 -0.491 0.000 0.656 559 V HN 0.403 nan 8.190 nan 0.000 0.451 560 T N 0.749 115.314 114.554 0.017 0.000 2.665 560 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 560 T C 2.094 176.882 174.700 0.146 0.000 1.035 560 T CA 1.942 64.079 62.100 0.061 0.000 1.151 560 T CB -0.495 68.386 68.868 0.023 0.000 0.862 560 T HN 0.579 nan 8.240 nan 0.000 0.438 561 A N 1.307 124.265 122.820 0.231 0.000 1.883 561 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 561 A C 2.180 179.955 177.584 0.318 0.000 1.186 561 A CA 1.666 53.862 52.037 0.264 0.000 0.624 561 A CB -1.205 18.028 19.000 0.389 0.000 0.822 561 A HN 0.789 nan 8.150 nan 0.000 0.444 562 W N 0.590 122.033 121.300 0.237 0.000 2.358 562 W HA -0.177 4.483 4.660 -0.000 0.000 0.303 562 W C 1.721 178.410 176.519 0.284 0.000 1.208 562 W CA 1.706 59.240 57.345 0.314 0.000 1.274 562 W CB -0.311 29.432 29.460 0.472 0.000 1.138 562 W HN 0.323 nan 8.180 nan 0.000 0.515 563 L N 0.713 122.069 121.223 0.222 0.000 2.012 563 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 563 L C 2.853 179.754 176.870 0.052 0.000 1.073 563 L CA 1.777 56.674 54.840 0.095 0.000 0.748 563 L CB -1.572 40.575 42.059 0.146 0.000 0.891 563 L HN 0.051 nan 8.230 nan 0.000 0.431 564 G N -0.642 108.195 108.800 0.061 0.000 2.450 564 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 564 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 564 G C 1.675 176.561 174.900 -0.022 0.000 1.130 564 G CA 0.248 45.362 45.100 0.024 0.000 0.760 564 G HN 0.243 nan 8.290 nan 0.000 0.557 565 R N -0.638 119.836 120.500 -0.044 0.000 2.316 565 R HA 0.001 4.341 4.340 -0.000 0.000 0.202 565 R C 1.002 177.083 176.300 -0.364 0.000 1.029 565 R CA 0.695 56.697 56.100 -0.164 0.000 1.018 565 R CB -0.071 30.130 30.300 -0.165 0.000 0.888 565 R HN 0.484 nan 8.270 nan 0.000 0.471 566 H N -1.671 117.243 119.070 -0.259 0.000 2.893 566 H HA 0.208 4.764 4.556 -0.000 0.000 0.270 566 H C 0.463 175.715 175.328 -0.127 0.000 1.095 566 H CA 0.527 56.434 56.048 -0.236 0.000 1.186 566 H CB 1.382 30.951 29.762 -0.322 0.000 1.562 566 H HN 0.300 nan 8.280 nan 0.000 0.536 567 G N 1.343 110.130 108.800 -0.022 0.000 2.401 567 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.283 567 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.283 567 G C -0.461 174.447 174.900 0.013 0.000 1.117 567 G CA 0.108 45.200 45.100 -0.013 0.000 1.051 567 G HN 0.314 nan 8.290 nan 0.000 0.510 568 I N -0.385 120.206 120.570 0.035 0.000 2.586 568 I HA 0.406 4.576 4.170 -0.000 0.000 0.288 568 I C -0.234 175.932 176.117 0.082 0.000 1.147 568 I CA -1.087 60.252 61.300 0.066 0.000 1.047 568 I CB 2.448 40.502 38.000 0.090 0.000 1.244 568 I HN 0.006 nan 8.210 nan 0.000 0.429 569 V N 7.028 126.987 119.914 0.075 0.000 2.407 569 V HA 0.457 4.577 4.120 -0.000 0.000 0.291 569 V C -2.008 174.106 176.094 0.034 0.000 1.018 569 V CA -1.401 60.925 62.300 0.045 0.000 0.842 569 V CB 1.489 33.327 31.823 0.025 0.000 0.996 569 V HN 0.554 nan 8.190 nan 0.000 0.426 570 P HA 0.208 nan 4.420 nan 0.000 0.272 570 P C 0.918 178.139 177.300 -0.132 0.000 1.223 570 P CA -0.198 62.757 63.100 -0.243 0.000 0.784 570 P CB 0.811 32.199 31.700 -0.519 0.000 0.923 571 T N -0.648 113.842 114.554 -0.107 0.000 3.007 571 T HA -0.037 4.313 4.350 -0.000 0.000 0.270 571 T C 0.856 175.513 174.700 -0.071 0.000 1.107 571 T CA 0.684 62.758 62.100 -0.044 0.000 1.118 571 T CB 0.044 68.897 68.868 -0.024 0.000 0.889 571 T HN 0.489 nan 8.240 nan 0.000 0.506 572 R N -0.054 120.372 120.500 -0.122 0.000 2.579 572 R HA 0.435 4.775 4.340 -0.000 0.000 0.260 572 R C -1.964 174.253 176.300 -0.138 0.000 1.103 572 R CA -0.346 55.696 56.100 -0.096 0.000 0.942 572 R CB 1.805 32.066 30.300 -0.066 0.000 1.251 572 R HN 0.049 nan 8.270 nan 0.000 0.450 573 T N 2.537 117.032 114.554 -0.097 0.000 2.928 573 T HA 0.368 4.718 4.350 -0.000 0.000 0.296 573 T C -0.170 174.479 174.700 -0.085 0.000 1.000 573 T CA -0.561 61.472 62.100 -0.112 0.000 0.989 573 T CB 1.705 70.512 68.868 -0.102 0.000 1.005 573 T HN 0.741 nan 8.240 nan 0.000 0.442 574 T N -0.631 113.862 114.554 -0.102 0.000 2.675 574 T HA 0.406 4.756 4.350 -0.000 0.000 0.241 574 T C 0.619 175.197 174.700 -0.202 0.000 0.949 574 T CA -0.344 61.696 62.100 -0.100 0.000 1.077 574 T CB 0.461 69.299 68.868 -0.050 0.000 1.797 574 T HN 0.202 nan 8.240 nan 0.000 0.551 575 D N -0.063 120.203 120.400 -0.223 0.000 2.117 575 D HA 0.095 4.735 4.640 -0.000 0.000 0.198 575 D C 0.948 176.739 176.300 -0.849 0.000 0.982 575 D CA 1.366 55.042 54.000 -0.539 0.000 0.828 575 D CB -0.121 40.404 40.800 -0.457 0.000 0.967 575 D HN 0.511 nan 8.370 nan 0.000 0.464 576 F N -0.783 119.179 119.950 0.020 0.000 2.856 576 F HA 0.215 4.742 4.527 -0.000 0.000 0.338 576 F C 0.667 176.448 175.800 -0.033 0.000 1.100 576 F CA -0.474 57.556 58.000 0.050 0.000 1.150 576 F CB 0.666 39.775 39.000 0.181 0.000 1.101 576 F HN -0.253 nan 8.300 nan 0.000 0.548 577 Q N 1.846 121.654 119.800 0.013 0.000 2.337 577 Q HA 0.629 4.969 4.340 -0.000 0.000 0.266 577 Q C -1.383 174.546 176.000 -0.118 0.000 1.023 577 Q CA -0.432 55.305 55.803 -0.110 0.000 0.829 577 Q CB 2.219 30.819 28.738 -0.231 0.000 1.306 577 Q HN 0.318 nan 8.270 nan 0.000 0.449 578 I N 3.343 123.834 120.570 -0.132 0.000 2.498 578 I HA 0.413 4.583 4.170 -0.000 0.000 0.290 578 I C -0.430 175.505 176.117 -0.303 0.000 1.032 578 I CA -0.476 60.676 61.300 -0.248 0.000 1.073 578 I CB 2.172 40.005 38.000 -0.278 0.000 1.251 578 I HN 0.544 nan 8.210 nan 0.000 0.426 579 M N 6.142 125.514 119.600 -0.379 0.000 2.243 579 M HA 0.534 5.014 4.480 -0.000 0.000 0.324 579 M C -1.750 174.334 176.300 -0.361 0.000 1.031 579 M CA -0.499 54.666 55.300 -0.225 0.000 0.949 579 M CB 1.404 33.956 32.600 -0.081 0.000 1.615 579 M HN 0.369 nan 8.290 nan 0.000 0.430 580 F N 4.433 124.501 119.950 0.195 0.000 2.444 580 F HA 0.423 4.950 4.527 -0.000 0.000 0.342 580 F C -0.342 175.616 175.800 0.264 0.000 1.121 580 F CA -0.810 57.309 58.000 0.199 0.000 0.997 580 F CB 1.132 40.283 39.000 0.252 0.000 1.130 580 F HN 0.378 nan 8.300 nan 0.000 0.454 581 L N 4.610 126.014 121.223 0.302 0.000 2.278 581 L HA 0.406 4.745 4.340 -0.000 0.000 0.287 581 L C -1.031 175.970 176.870 0.218 0.000 1.072 581 L CA 0.118 55.116 54.840 0.264 0.000 0.819 581 L CB -0.204 41.963 42.059 0.180 0.000 1.176 581 L HN 0.407 nan 8.230 nan 0.000 0.435 582 F N 3.620 123.649 119.950 0.131 0.000 2.404 582 F HA 0.592 5.118 4.527 -0.000 0.000 0.339 582 F C 0.674 176.506 175.800 0.054 0.000 1.105 582 F CA 0.034 58.087 58.000 0.089 0.000 1.087 582 F CB 1.727 40.773 39.000 0.077 0.000 1.143 582 F HN 0.612 nan 8.300 nan 0.000 0.491 583 S N 2.441 118.226 115.700 0.142 0.000 2.720 583 S HA 0.413 4.883 4.470 -0.000 0.000 0.287 583 S C 0.230 174.864 174.600 0.056 0.000 1.168 583 S CA -0.949 57.300 58.200 0.082 0.000 0.832 583 S CB 1.403 64.660 63.200 0.096 0.000 1.166 583 S HN 0.669 nan 8.310 nan 0.000 0.493 584 M N 0.912 120.530 119.600 0.031 0.000 2.539 584 M HA 0.064 4.544 4.480 -0.000 0.000 0.261 584 M C 1.757 178.075 176.300 0.031 0.000 1.069 584 M CA 1.386 56.702 55.300 0.028 0.000 1.081 584 M CB -0.669 31.943 32.600 0.020 0.000 1.412 584 M HN 0.936 nan 8.290 nan 0.000 0.482 585 G N -0.273 108.547 108.800 0.034 0.000 2.939 585 G HA2 0.197 4.157 3.960 -0.000 0.000 0.210 585 G HA3 0.197 4.157 3.960 -0.000 0.000 0.210 585 G C 0.470 175.374 174.900 0.007 0.000 1.160 585 G CA -0.202 44.912 45.100 0.022 0.000 0.770 585 G HN 0.207 nan 8.290 nan 0.000 0.543 586 V N 1.690 121.608 119.914 0.007 0.000 2.775 586 V HA 0.425 4.544 4.120 -0.000 0.000 0.299 586 V C 0.916 177.014 176.094 0.006 0.000 1.062 586 V CA -0.188 62.098 62.300 -0.023 0.000 1.063 586 V CB 1.147 32.930 31.823 -0.068 0.000 0.994 586 V HN 0.337 nan 8.190 nan 0.000 0.483 587 T N 2.391 116.937 114.554 -0.014 0.000 2.944 587 T HA 0.551 4.901 4.350 -0.000 0.000 0.284 587 T C -0.082 174.624 174.700 0.010 0.000 1.010 587 T CA -0.971 61.129 62.100 -0.001 0.000 1.025 587 T CB 0.965 69.820 68.868 -0.021 0.000 1.079 587 T HN 0.561 nan 8.240 nan 0.000 0.516 588 R N 0.460 120.973 120.500 0.022 0.000 2.442 588 R HA 0.438 4.778 4.340 -0.000 0.000 0.291 588 R C 1.500 177.772 176.300 -0.047 0.000 1.069 588 R CA 0.808 56.938 56.100 0.050 0.000 1.022 588 R CB 0.241 30.576 30.300 0.058 0.000 0.976 588 R HN 1.155 nan 8.270 nan 0.000 0.443 589 G N 2.393 111.127 108.800 -0.110 0.000 2.199 589 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.254 589 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.254 589 G C 0.934 175.433 174.900 -0.669 0.000 0.982 589 G CA 0.596 45.385 45.100 -0.518 0.000 0.632 589 G HN 0.594 nan 8.290 nan 0.000 0.529 590 K N 0.740 120.930 120.400 -0.350 0.000 2.147 590 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 590 K C 2.352 178.762 176.600 -0.316 0.000 1.049 590 K CA 1.970 58.090 56.287 -0.280 0.000 0.936 590 K CB -0.509 31.887 32.500 -0.173 0.000 0.722 590 K HN 0.770 nan 8.250 nan 0.000 0.446 591 W N -0.203 120.987 121.300 -0.184 0.000 2.359 591 W HA -0.073 4.587 4.660 -0.000 0.000 0.275 591 W C 1.319 177.705 176.519 -0.222 0.000 1.217 591 W CA 0.629 57.773 57.345 -0.335 0.000 1.196 591 W CB -1.122 28.231 29.460 -0.178 0.000 1.129 591 W HN 0.154 nan 8.180 nan 0.000 0.566 592 G N 1.081 109.459 108.800 -0.703 0.000 2.485 592 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.221 592 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.221 592 G C 1.510 176.326 174.900 -0.139 0.000 1.115 592 G CA 1.877 46.679 45.100 -0.496 0.000 0.751 592 G HN 0.410 nan 8.290 nan 0.000 0.567 593 T N 0.127 114.582 114.554 -0.165 0.000 2.985 593 T HA 0.084 4.434 4.350 -0.000 0.000 0.266 593 T C 2.473 177.140 174.700 -0.055 0.000 1.076 593 T CA 0.696 62.743 62.100 -0.089 0.000 1.135 593 T CB -0.185 68.624 68.868 -0.099 0.000 0.890 593 T HN 0.237 nan 8.240 nan 0.000 0.480 594 L N 0.577 121.726 121.223 -0.123 0.000 2.017 594 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 594 L C 2.737 179.657 176.870 0.084 0.000 1.073 594 L CA 1.007 55.754 54.840 -0.156 0.000 0.745 594 L CB -0.760 40.957 42.059 -0.569 0.000 0.894 594 L HN 0.151 nan 8.230 nan 0.000 0.432 595 V N 0.211 120.278 119.914 0.256 0.000 2.343 595 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 595 V C 2.396 178.674 176.094 0.305 0.000 1.051 595 V CA 1.946 64.487 62.300 0.401 0.000 1.036 595 V CB -0.774 31.362 31.823 0.523 0.000 0.654 595 V HN 0.560 nan 8.190 nan 0.000 0.451 596 N N 0.405 119.226 118.700 0.201 0.000 2.084 596 N HA -0.178 4.561 4.740 -0.000 0.000 0.190 596 N C 1.761 177.393 175.510 0.202 0.000 1.030 596 N CA 2.272 55.425 53.050 0.172 0.000 0.849 596 N CB -0.046 38.500 38.487 0.097 0.000 1.012 596 N HN 0.525 nan 8.380 nan 0.000 0.423 597 T N 1.733 116.383 114.554 0.161 0.000 2.857 597 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 597 T C 2.127 177.066 174.700 0.399 0.000 1.048 597 T CA 0.545 62.765 62.100 0.199 0.000 1.139 597 T CB -0.083 68.794 68.868 0.016 0.000 0.874 597 T HN 0.165 nan 8.240 nan 0.000 0.455 598 L N 0.446 121.837 121.223 0.280 0.000 2.046 598 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 598 L C 2.868 180.032 176.870 0.489 0.000 1.077 598 L CA 0.829 55.827 54.840 0.262 0.000 0.747 598 L CB -0.781 41.258 42.059 -0.033 0.000 0.896 598 L HN 0.347 nan 8.230 nan 0.000 0.432 599 C N -0.288 119.295 119.300 0.471 0.000 2.429 599 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 599 C C 3.280 178.450 174.990 0.300 0.000 1.262 599 C CA 1.329 60.602 59.018 0.425 0.000 1.733 599 C CB -0.842 27.103 27.740 0.341 0.000 2.010 599 C HN 0.706 nan 8.230 nan 0.000 0.483 600 S N 0.201 116.094 115.700 0.320 0.000 2.406 600 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 600 S C 1.655 176.326 174.600 0.118 0.000 1.020 600 S CA 1.122 59.479 58.200 0.261 0.000 0.965 600 S CB -0.873 62.583 63.200 0.427 0.000 0.798 600 S HN 0.590 nan 8.310 nan 0.000 0.488 601 F N 2.945 122.887 119.950 -0.014 0.000 2.069 601 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 601 F C 2.524 178.338 175.800 0.023 0.000 1.113 601 F CA 1.871 59.673 58.000 -0.330 0.000 1.214 601 F CB -0.314 38.634 39.000 -0.086 0.000 0.978 601 F HN 0.049 nan 8.300 nan 0.000 0.474 602 K N 0.680 121.257 120.400 0.295 0.000 2.113 602 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 602 K C 2.410 179.017 176.600 0.012 0.000 1.047 602 K CA 1.627 57.987 56.287 0.122 0.000 0.928 602 K CB -0.464 31.951 32.500 -0.142 0.000 0.716 602 K HN 0.321 nan 8.250 nan 0.000 0.446 603 R N -0.566 119.912 120.500 -0.038 0.000 2.075 603 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 603 R C 2.278 178.474 176.300 -0.174 0.000 1.126 603 R CA 1.262 57.300 56.100 -0.103 0.000 0.963 603 R CB -0.132 30.087 30.300 -0.135 0.000 0.858 603 R HN 0.330 nan 8.270 nan 0.000 0.435 604 H N -1.195 117.774 119.070 -0.169 0.000 2.363 604 H HA -0.140 4.416 4.556 -0.000 0.000 0.301 604 H C 1.734 176.939 175.328 -0.204 0.000 1.074 604 H CA 1.468 57.378 56.048 -0.230 0.000 1.354 604 H CB -0.429 29.075 29.762 -0.431 0.000 1.397 604 H HN 0.255 nan 8.280 nan 0.000 0.516 605 Y N 2.147 122.248 120.300 -0.331 0.000 2.151 605 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 605 Y C 1.862 177.781 175.900 0.032 0.000 1.166 605 Y CA 1.788 59.724 58.100 -0.273 0.000 1.163 605 Y CB -0.047 38.217 38.460 -0.326 0.000 0.974 605 Y HN 0.125 nan 8.280 nan 0.000 0.511 606 D N -0.881 119.645 120.400 0.210 0.000 2.224 606 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 606 D C 1.934 178.306 176.300 0.120 0.000 0.965 606 D CA 1.156 55.297 54.000 0.234 0.000 0.852 606 D CB -0.307 40.612 40.800 0.198 0.000 0.947 606 D HN 0.411 nan 8.370 nan 0.000 0.494 607 A N 0.451 123.308 122.820 0.060 0.000 2.218 607 A HA 0.001 4.321 4.320 -0.000 0.000 0.209 607 A C 0.893 178.490 177.584 0.023 0.000 1.168 607 A CA 0.309 52.368 52.037 0.036 0.000 0.804 607 A CB -0.260 18.759 19.000 0.031 0.000 0.834 607 A HN 0.149 nan 8.150 nan 0.000 0.482 608 N N 0.084 118.786 118.700 0.003 0.000 2.740 608 N HA -0.134 4.606 4.740 -0.000 0.000 0.248 608 N C -0.425 175.083 175.510 -0.003 0.000 1.062 608 N CA 1.106 54.137 53.050 -0.032 0.000 0.704 608 N CB -2.228 36.221 38.487 -0.064 0.000 0.968 608 N HN 0.355 nan 8.380 nan 0.000 0.547 609 T N 1.632 116.204 114.554 0.029 0.000 2.905 609 T HA 0.116 4.466 4.350 -0.000 0.000 0.299 609 T C -2.172 172.539 174.700 0.019 0.000 1.024 609 T CA -0.257 61.876 62.100 0.056 0.000 1.151 609 T CB 0.525 69.462 68.868 0.115 0.000 0.987 609 T HN 0.187 nan 8.240 nan 0.000 0.535 610 P HA 0.014 nan 4.420 nan 0.000 0.263 610 P C 0.933 178.260 177.300 0.045 0.000 1.168 610 P CA 0.150 63.276 63.100 0.042 0.000 0.759 610 P CB 0.372 32.101 31.700 0.048 0.000 0.782 611 L N 2.586 123.850 121.223 0.068 0.000 2.191 611 L HA -0.222 4.117 4.340 -0.000 0.000 0.212 611 L C 2.270 179.191 176.870 0.085 0.000 1.103 611 L CA 1.641 56.531 54.840 0.084 0.000 0.769 611 L CB -0.729 41.398 42.059 0.113 0.000 0.908 611 L HN 0.448 nan 8.230 nan 0.000 0.438 612 A N -0.372 122.496 122.820 0.080 0.000 1.972 612 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 612 A C 2.207 179.829 177.584 0.064 0.000 1.169 612 A CA 1.583 53.663 52.037 0.072 0.000 0.635 612 A CB -0.261 18.778 19.000 0.065 0.000 0.810 612 A HN 0.511 nan 8.150 nan 0.000 0.446 613 Q N -0.790 119.045 119.800 0.059 0.000 2.134 613 Q HA -0.008 4.332 4.340 -0.000 0.000 0.195 613 Q C 2.052 178.093 176.000 0.068 0.000 0.958 613 Q CA 1.513 57.350 55.803 0.057 0.000 0.840 613 Q CB -0.146 28.622 28.738 0.051 0.000 0.918 613 Q HN 0.679 nan 8.270 nan 0.000 0.467 614 V N -3.000 116.951 119.914 0.061 0.000 3.354 614 V HA 0.200 4.320 4.120 -0.000 0.000 0.258 614 V C 1.059 177.306 176.094 0.255 0.000 1.159 614 V CA 0.554 62.949 62.300 0.157 0.000 1.125 614 V CB 0.085 31.891 31.823 -0.027 0.000 0.774 614 V HN 0.172 nan 8.190 nan 0.000 0.464 615 M N 1.530 121.226 119.600 0.159 0.000 3.053 615 M HA 0.359 4.839 4.480 -0.000 0.000 0.293 615 M C -2.099 174.252 176.300 0.084 0.000 1.470 615 M CA -1.125 54.260 55.300 0.141 0.000 0.582 615 M CB 2.085 34.776 32.600 0.152 0.000 1.435 615 M HN 0.029 nan 8.290 nan 0.000 0.451 616 P HA -0.121 nan 4.420 nan 0.000 0.218 616 P C 0.537 177.858 177.300 0.036 0.000 1.149 616 P CA 1.584 64.714 63.100 0.050 0.000 0.817 616 P CB 0.328 32.050 31.700 0.037 0.000 0.785 617 E N 0.051 120.264 120.200 0.021 0.000 2.106 617 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 617 E C 2.104 178.709 176.600 0.009 0.000 0.984 617 E CA 0.601 57.002 56.400 0.001 0.000 0.806 617 E CB -1.185 28.506 29.700 -0.014 0.000 0.750 617 E HN 0.141 nan 8.360 nan 0.000 0.458 618 L N 0.261 121.500 121.223 0.027 0.000 2.046 618 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 618 L C 1.996 178.969 176.870 0.172 0.000 1.077 618 L CA 1.317 56.195 54.840 0.064 0.000 0.747 618 L CB -0.120 41.905 42.059 -0.057 0.000 0.896 618 L HN 0.015 nan 8.230 nan 0.000 0.432 619 V N -0.453 119.541 119.914 0.134 0.000 2.453 619 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 619 V C 2.502 178.667 176.094 0.119 0.000 1.048 619 V CA 1.790 64.203 62.300 0.188 0.000 1.049 619 V CB -0.674 31.235 31.823 0.143 0.000 0.672 619 V HN 0.573 nan 8.190 nan 0.000 0.457 620 E N 0.090 120.320 120.200 0.051 0.000 2.077 620 E HA -0.297 4.053 4.350 -0.000 0.000 0.193 620 E C 2.312 178.875 176.600 -0.062 0.000 0.989 620 E CA 1.576 57.976 56.400 -0.000 0.000 0.800 620 E CB -0.073 29.617 29.700 -0.016 0.000 0.746 620 E HN 0.655 nan 8.360 nan 0.000 0.452 621 Q N -0.988 118.737 119.800 -0.124 0.000 2.119 621 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 621 Q C -0.049 175.591 176.000 -0.601 0.000 0.972 621 Q CA 1.085 56.644 55.803 -0.407 0.000 0.847 621 Q CB 0.272 28.691 28.738 -0.531 0.000 0.903 621 Q HN 0.331 nan 8.270 nan 0.000 0.433 622 Y N -0.971 119.398 120.300 0.116 0.000 2.473 622 Y HA 0.273 4.823 4.550 -0.000 0.000 0.345 622 Y C -1.946 174.020 175.900 0.111 0.000 0.932 622 Y CA -1.915 56.257 58.100 0.120 0.000 1.124 622 Y CB 1.131 39.717 38.460 0.209 0.000 1.162 622 Y HN 0.169 nan 8.280 nan 0.000 0.629 623 P HA -0.113 nan 4.420 nan 0.000 0.225 623 P C 0.485 177.826 177.300 0.068 0.000 1.148 623 P CA 1.369 64.537 63.100 0.113 0.000 0.779 623 P CB 0.660 32.393 31.700 0.055 0.000 0.780 624 D N -0.278 120.142 120.400 0.033 0.000 2.137 624 D HA -0.084 4.555 4.640 -0.000 0.000 0.202 624 D C 2.018 178.257 176.300 -0.102 0.000 0.970 624 D CA 1.742 55.726 54.000 -0.026 0.000 0.837 624 D CB -0.764 40.016 40.800 -0.034 0.000 0.981 624 D HN 0.217 nan 8.370 nan 0.000 0.475 625 T N -1.482 112.942 114.554 -0.217 0.000 2.896 625 T HA -0.122 4.228 4.350 -0.000 0.000 0.263 625 T C 1.057 175.468 174.700 -0.482 0.000 1.050 625 T CA 0.820 62.611 62.100 -0.515 0.000 1.140 625 T CB -0.347 67.947 68.868 -0.958 0.000 0.877 625 T HN 0.154 nan 8.240 nan 0.000 0.457 626 Y N 1.511 121.862 120.300 0.085 0.000 2.696 626 Y HA 0.707 5.257 4.550 -0.000 0.000 0.260 626 Y C 0.938 176.886 175.900 0.080 0.000 1.165 626 Y CA -1.828 56.333 58.100 0.101 0.000 1.189 626 Y CB -0.518 38.034 38.460 0.152 0.000 1.180 626 Y HN 0.222 nan 8.280 nan 0.000 0.538 627 A N 0.881 123.780 122.820 0.131 0.000 2.488 627 A HA 0.230 4.550 4.320 -0.000 0.000 0.249 627 A C 0.841 178.477 177.584 0.086 0.000 1.083 627 A CA -0.145 51.949 52.037 0.094 0.000 0.768 627 A CB -0.163 18.866 19.000 0.048 0.000 1.017 627 A HN 0.622 nan 8.150 nan 0.000 0.496 628 N N -0.218 118.530 118.700 0.079 0.000 2.725 628 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 628 N C -0.526 175.025 175.510 0.068 0.000 1.103 628 N CA 1.530 54.617 53.050 0.062 0.000 0.707 628 N CB -1.289 37.224 38.487 0.043 0.000 1.043 628 N HN 0.780 nan 8.380 nan 0.000 0.553 629 M N 0.169 119.827 119.600 0.096 0.000 2.383 629 M HA 0.452 4.932 4.480 -0.000 0.000 0.325 629 M C 0.945 177.298 176.300 0.088 0.000 1.092 629 M CA -0.523 54.839 55.300 0.103 0.000 0.961 629 M CB 2.005 34.705 32.600 0.166 0.000 1.672 629 M HN 0.144 nan 8.290 nan 0.000 0.438 630 G N 1.415 110.249 108.800 0.056 0.000 2.504 630 G HA2 0.372 4.332 3.960 -0.000 0.000 0.288 630 G HA3 0.372 4.332 3.960 -0.000 0.000 0.288 630 G C 0.532 175.450 174.900 0.030 0.000 1.182 630 G CA -0.577 44.542 45.100 0.032 0.000 0.894 630 G HN 0.926 nan 8.290 nan 0.000 0.521 631 I N -0.829 119.739 120.570 -0.004 0.000 2.361 631 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 631 I C 2.254 178.307 176.117 -0.106 0.000 1.133 631 I CA 1.091 62.386 61.300 -0.007 0.000 1.413 631 I CB 0.041 38.023 38.000 -0.028 0.000 1.073 631 I HN 0.642 nan 8.210 nan 0.000 0.424 632 H N 1.181 119.995 119.070 -0.426 0.000 2.395 632 H HA -0.146 4.409 4.556 -0.000 0.000 0.299 632 H C 1.693 176.840 175.328 -0.303 0.000 1.070 632 H CA 1.701 57.296 56.048 -0.754 0.000 1.356 632 H CB -0.171 29.152 29.762 -0.732 0.000 1.401 632 H HN 0.387 nan 8.280 nan 0.000 0.524 633 D N 0.605 121.020 120.400 0.026 0.000 2.116 633 D HA -0.170 4.469 4.640 -0.000 0.000 0.193 633 D C 2.423 178.793 176.300 0.117 0.000 0.998 633 D CA 0.902 54.939 54.000 0.061 0.000 0.836 633 D CB -0.488 40.343 40.800 0.053 0.000 0.951 633 D HN 0.282 nan 8.370 nan 0.000 0.449 634 L N 1.058 122.351 121.223 0.117 0.000 2.046 634 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 634 L C 2.241 179.167 176.870 0.093 0.000 1.077 634 L CA 2.082 57.003 54.840 0.135 0.000 0.747 634 L CB -0.980 41.156 42.059 0.129 0.000 0.896 634 L HN 0.050 nan 8.230 nan 0.000 0.432 635 G N -1.251 107.630 108.800 0.136 0.000 2.418 635 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 635 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 635 G C 1.283 176.323 174.900 0.234 0.000 1.158 635 G CA 0.792 46.022 45.100 0.217 0.000 0.771 635 G HN 0.402 nan 8.290 nan 0.000 0.545 636 D N 0.230 120.771 120.400 0.234 0.000 2.123 636 D HA -0.081 4.559 4.640 -0.000 0.000 0.196 636 D C 2.726 179.190 176.300 0.274 0.000 0.992 636 D CA 1.500 55.652 54.000 0.253 0.000 0.833 636 D CB -0.525 40.398 40.800 0.205 0.000 0.954 636 D HN 0.227 nan 8.370 nan 0.000 0.455 637 T N 0.778 115.473 114.554 0.235 0.000 2.701 637 T HA -0.092 4.258 4.350 -0.000 0.000 0.263 637 T C 2.144 177.023 174.700 0.298 0.000 1.040 637 T CA 0.994 63.266 62.100 0.286 0.000 1.147 637 T CB -0.176 68.889 68.868 0.329 0.000 0.865 637 T HN 0.151 nan 8.240 nan 0.000 0.426 638 M N 0.049 119.675 119.600 0.045 0.000 2.144 638 M HA -0.076 4.404 4.480 -0.000 0.000 0.260 638 M C 2.131 178.568 176.300 0.229 0.000 1.067 638 M CA 1.727 56.884 55.300 -0.238 0.000 1.095 638 M CB -0.612 31.678 32.600 -0.516 0.000 1.365 638 M HN 0.205 nan 8.290 nan 0.000 0.406 639 F N 1.143 121.187 119.950 0.157 0.000 2.113 639 F HA -0.066 4.461 4.527 -0.000 0.000 0.297 639 F C 2.496 178.437 175.800 0.234 0.000 1.103 639 F CA 1.452 59.578 58.000 0.209 0.000 1.248 639 F CB -0.361 38.741 39.000 0.170 0.000 0.999 639 F HN 0.053 nan 8.300 nan 0.000 0.475 640 A N -0.477 122.537 122.820 0.323 0.000 1.940 640 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 640 A C 2.098 179.756 177.584 0.123 0.000 1.176 640 A CA 1.696 53.854 52.037 0.201 0.000 0.631 640 A CB -1.856 17.280 19.000 0.226 0.000 0.814 640 A HN 0.756 nan 8.150 nan 0.000 0.446 641 W N 0.441 121.776 121.300 0.059 0.000 2.358 641 W HA -0.127 4.533 4.660 -0.000 0.000 0.303 641 W C 1.817 178.365 176.519 0.048 0.000 1.208 641 W CA 1.852 59.233 57.345 0.060 0.000 1.274 641 W CB -0.207 29.364 29.460 0.184 0.000 1.138 641 W HN 0.267 nan 8.180 nan 0.000 0.515 642 L N 0.594 122.023 121.223 0.343 0.000 2.017 642 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 642 L C 2.601 179.367 176.870 -0.174 0.000 1.073 642 L CA 1.844 56.755 54.840 0.118 0.000 0.745 642 L CB -1.049 41.031 42.059 0.034 0.000 0.894 642 L HN -0.070 nan 8.230 nan 0.000 0.432 643 K N 0.262 120.479 120.400 -0.305 0.000 2.026 643 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 643 K C 2.134 178.619 176.600 -0.192 0.000 1.048 643 K CA 1.831 57.958 56.287 -0.267 0.000 0.929 643 K CB -0.018 32.334 32.500 -0.246 0.000 0.713 643 K HN 0.289 nan 8.250 nan 0.000 0.439 644 E N -0.073 119.999 120.200 -0.213 0.000 2.107 644 E HA -0.150 4.199 4.350 -0.000 0.000 0.191 644 E C 1.135 177.540 176.600 -0.326 0.000 0.982 644 E CA 1.309 57.569 56.400 -0.233 0.000 0.809 644 E CB 0.129 29.692 29.700 -0.229 0.000 0.756 644 E HN 0.360 nan 8.360 nan 0.000 0.459 645 N N 0.533 118.920 118.700 -0.521 0.000 2.392 645 N HA -0.032 4.708 4.740 -0.000 0.000 0.177 645 N C -0.351 174.952 175.510 -0.345 0.000 1.066 645 N CA 0.235 52.919 53.050 -0.610 0.000 0.895 645 N CB 0.350 38.023 38.487 -1.357 0.000 0.988 645 N HN 0.056 nan 8.380 nan 0.000 0.457 646 N N 0.433 118.988 118.700 -0.243 0.000 2.671 646 N HA -0.108 4.632 4.740 -0.000 0.000 0.261 646 N C -1.947 173.538 175.510 -0.042 0.000 1.053 646 N CA 0.208 53.189 53.050 -0.114 0.000 0.732 646 N CB -0.071 38.353 38.487 -0.104 0.000 0.887 646 N HN 0.243 nan 8.380 nan 0.000 0.546 647 P HA -0.076 nan 4.420 nan 0.000 0.220 647 P C 1.557 178.920 177.300 0.105 0.000 1.148 647 P CA 1.598 64.785 63.100 0.145 0.000 0.803 647 P CB -0.223 31.616 31.700 0.233 0.000 0.782 648 G N 0.984 109.807 108.800 0.039 0.000 2.446 648 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.217 648 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.217 648 G C 1.851 176.718 174.900 -0.055 0.000 1.168 648 G CA 1.216 46.306 45.100 -0.016 0.000 0.771 648 G HN 0.365 nan 8.290 nan 0.000 0.551 649 A N 0.613 123.407 122.820 -0.044 0.000 1.940 649 A HA -0.046 4.273 4.320 -0.000 0.000 0.219 649 A C 2.508 180.061 177.584 -0.051 0.000 1.176 649 A CA 1.644 53.652 52.037 -0.049 0.000 0.631 649 A CB -0.297 18.676 19.000 -0.044 0.000 0.814 649 A HN 0.271 nan 8.150 nan 0.000 0.446 650 R N -0.755 119.730 120.500 -0.025 0.000 2.075 650 R HA -0.012 4.328 4.340 -0.000 0.000 0.232 650 R C 2.205 178.396 176.300 -0.182 0.000 1.126 650 R CA 1.188 57.290 56.100 0.003 0.000 0.963 650 R CB -1.145 29.262 30.300 0.178 0.000 0.858 650 R HN 0.628 nan 8.270 nan 0.000 0.435 651 L N 1.505 122.498 121.223 -0.383 0.000 2.017 651 L HA -0.195 4.144 4.340 -0.000 0.000 0.208 651 L C 1.848 178.566 176.870 -0.254 0.000 1.073 651 L CA 1.558 55.950 54.840 -0.747 0.000 0.745 651 L CB -0.324 41.383 42.059 -0.586 0.000 0.894 651 L HN 0.112 nan 8.230 nan 0.000 0.432 652 N N 0.208 118.818 118.700 -0.150 0.000 2.069 652 N HA -0.244 4.496 4.740 -0.000 0.000 0.191 652 N C 1.717 177.210 175.510 -0.028 0.000 1.031 652 N CA 1.746 54.758 53.050 -0.063 0.000 0.852 652 N CB -0.255 38.197 38.487 -0.059 0.000 1.018 652 N HN 0.483 nan 8.380 nan 0.000 0.423 653 E N 0.431 120.601 120.200 -0.050 0.000 2.110 653 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 653 E C 1.827 178.395 176.600 -0.052 0.000 0.988 653 E CA 0.958 57.335 56.400 -0.038 0.000 0.804 653 E CB -0.064 29.618 29.700 -0.030 0.000 0.745 653 E HN 0.364 nan 8.360 nan 0.000 0.458 654 A N -0.014 122.756 122.820 -0.083 0.000 2.015 654 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 654 A C 1.367 178.765 177.584 -0.311 0.000 1.163 654 A CA 1.149 53.086 52.037 -0.168 0.000 0.646 654 A CB -0.301 18.581 19.000 -0.195 0.000 0.806 654 A HN 0.286 nan 8.150 nan 0.000 0.448 655 Y N -1.410 118.807 120.300 -0.137 0.000 2.442 655 Y HA 0.147 4.697 4.550 -0.000 0.000 0.250 655 Y C 2.640 178.489 175.900 -0.085 0.000 1.113 655 Y CA 0.427 58.459 58.100 -0.113 0.000 1.273 655 Y CB 0.118 38.499 38.460 -0.131 0.000 1.138 655 Y HN 0.228 nan 8.280 nan 0.000 0.522 656 S N -0.060 115.662 115.700 0.036 0.000 2.380 656 S HA -0.079 4.391 4.470 -0.000 0.000 0.217 656 S C 1.331 175.925 174.600 -0.010 0.000 1.036 656 S CA 1.258 59.462 58.200 0.007 0.000 1.050 656 S CB -0.897 62.299 63.200 -0.006 0.000 1.016 656 S HN 0.424 nan 8.310 nan 0.000 0.419 657 G N 1.135 109.918 108.800 -0.029 0.000 2.338 657 G HA2 0.535 4.495 3.960 -0.000 0.000 0.298 657 G HA3 0.535 4.495 3.960 -0.000 0.000 0.298 657 G C -0.648 174.212 174.900 -0.065 0.000 1.140 657 G CA -0.589 44.490 45.100 -0.034 0.000 0.860 657 G HN 0.361 nan 8.290 nan 0.000 0.470 658 L N 3.802 124.991 121.223 -0.057 0.000 2.453 658 L HA 0.173 4.513 4.340 -0.000 0.000 0.272 658 L C -1.287 175.529 176.870 -0.090 0.000 1.182 658 L CA -1.361 53.425 54.840 -0.090 0.000 0.858 658 L CB 0.641 42.673 42.059 -0.046 0.000 1.120 658 L HN 0.374 nan 8.230 nan 0.000 0.474 659 P HA 0.008 nan 4.420 nan 0.000 0.267 659 P C -0.532 176.720 177.300 -0.080 0.000 1.200 659 P CA -0.293 62.733 63.100 -0.124 0.000 0.772 659 P CB 0.501 32.080 31.700 -0.201 0.000 0.855 660 V N 2.100 121.981 119.914 -0.055 0.000 2.521 660 V HA 0.177 4.296 4.120 -0.000 0.000 0.286 660 V C 1.077 177.156 176.094 -0.025 0.000 1.034 660 V CA -0.181 62.104 62.300 -0.025 0.000 1.045 660 V CB 0.112 31.927 31.823 -0.013 0.000 0.974 660 V HN 0.726 nan 8.190 nan 0.000 0.480 661 A N 3.842 126.665 122.820 0.006 0.000 2.376 661 A HA 0.290 4.610 4.320 -0.000 0.000 0.298 661 A C 1.052 178.643 177.584 0.012 0.000 1.271 661 A CA -0.259 51.789 52.037 0.018 0.000 0.926 661 A CB 0.017 19.058 19.000 0.069 0.000 1.141 661 A HN 1.005 nan 8.150 nan 0.000 0.539 662 E N 1.879 122.081 120.200 0.003 0.000 2.060 662 E HA 0.051 4.401 4.350 -0.000 0.000 0.189 662 E C 0.567 177.174 176.600 0.011 0.000 0.974 662 E CA 1.395 57.799 56.400 0.006 0.000 0.808 662 E CB 0.191 29.894 29.700 0.005 0.000 0.768 662 E HN 0.738 nan 8.360 nan 0.000 0.453 663 V N -1.443 118.480 119.914 0.014 0.000 3.102 663 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 663 V C 0.091 176.202 176.094 0.027 0.000 1.135 663 V CA -0.635 61.676 62.300 0.019 0.000 1.022 663 V CB 1.127 32.961 31.823 0.018 0.000 1.056 663 V HN 0.192 nan 8.190 nan 0.000 0.436 664 T N -0.901 113.670 114.554 0.028 0.000 2.856 664 T HA 0.344 4.694 4.350 -0.000 0.000 0.306 664 T C -1.611 173.118 174.700 0.049 0.000 1.062 664 T CA -0.624 61.497 62.100 0.036 0.000 1.083 664 T CB 0.761 69.643 68.868 0.023 0.000 0.984 664 T HN 0.634 nan 8.240 nan 0.000 0.542 665 P HA -0.121 nan 4.420 nan 0.000 0.216 665 P C 1.659 179.011 177.300 0.088 0.000 1.150 665 P CA 1.048 64.189 63.100 0.069 0.000 0.843 665 P CB 0.033 31.771 31.700 0.064 0.000 0.787 666 R N 0.289 120.830 120.500 0.068 0.000 2.066 666 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 666 R C 2.084 178.453 176.300 0.115 0.000 1.131 666 R CA 1.666 57.822 56.100 0.093 0.000 0.955 666 R CB -0.480 29.849 30.300 0.049 0.000 0.851 666 R HN 0.121 nan 8.270 nan 0.000 0.432 667 E N -0.086 120.154 120.200 0.067 0.000 2.097 667 E HA -0.224 4.125 4.350 -0.000 0.000 0.196 667 E C 1.897 178.523 176.600 0.044 0.000 1.000 667 E CA 1.613 58.042 56.400 0.047 0.000 0.804 667 E CB -0.140 29.577 29.700 0.029 0.000 0.740 667 E HN 0.502 nan 8.360 nan 0.000 0.454 668 A N 0.335 123.189 122.820 0.057 0.000 1.898 668 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 668 A C 2.040 179.651 177.584 0.045 0.000 1.181 668 A CA 1.358 53.422 52.037 0.046 0.000 0.620 668 A CB -0.801 18.230 19.000 0.052 0.000 0.819 668 A HN 0.432 nan 8.150 nan 0.000 0.442 669 Y N 1.623 121.928 120.300 0.008 0.000 2.165 669 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 669 Y C 2.049 177.953 175.900 0.007 0.000 1.155 669 Y CA 2.196 60.300 58.100 0.008 0.000 1.164 669 Y CB -0.321 38.142 38.460 0.005 0.000 0.978 669 Y HN 0.335 nan 8.280 nan 0.000 0.513 670 N N 0.451 119.111 118.700 -0.066 0.000 2.272 670 N HA -0.161 4.578 4.740 -0.000 0.000 0.185 670 N C 1.889 177.303 175.510 -0.161 0.000 1.014 670 N CA 1.251 54.233 53.050 -0.114 0.000 0.870 670 N CB -0.678 37.813 38.487 0.007 0.000 0.975 670 N HN 0.549 nan 8.380 nan 0.000 0.433 671 A N 0.712 123.456 122.820 -0.126 0.000 2.019 671 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 671 A C 2.219 179.714 177.584 -0.148 0.000 1.164 671 A CA 0.723 52.699 52.037 -0.101 0.000 0.644 671 A CB -0.497 18.471 19.000 -0.053 0.000 0.805 671 A HN 0.230 nan 8.150 nan 0.000 0.449 672 I N -0.409 120.006 120.570 -0.258 0.000 2.163 672 I HA -0.209 3.960 4.170 -0.000 0.000 0.240 672 I C 2.311 178.276 176.117 -0.254 0.000 1.081 672 I CA 1.234 62.370 61.300 -0.273 0.000 1.353 672 I CB -0.596 37.156 38.000 -0.414 0.000 1.054 672 I HN 0.142 nan 8.210 nan 0.000 0.407 673 V N 0.877 120.577 119.914 -0.357 0.000 2.324 673 V HA -0.314 3.806 4.120 -0.000 0.000 0.250 673 V C 1.644 177.671 176.094 -0.111 0.000 1.060 673 V CA 2.002 64.178 62.300 -0.206 0.000 1.042 673 V CB -0.762 30.957 31.823 -0.172 0.000 0.650 673 V HN 0.426 nan 8.190 nan 0.000 0.450 674 D N -0.477 119.862 120.400 -0.102 0.000 2.363 674 D HA -0.003 4.637 4.640 -0.000 0.000 0.226 674 D C 1.066 177.335 176.300 -0.051 0.000 1.020 674 D CA 0.408 54.372 54.000 -0.061 0.000 0.892 674 D CB -0.497 40.273 40.800 -0.049 0.000 0.900 674 D HN 0.505 nan 8.370 nan 0.000 0.531 675 N N 0.792 119.454 118.700 -0.063 0.000 2.754 675 N HA -0.233 4.506 4.740 -0.000 0.000 0.248 675 N C -0.493 174.995 175.510 -0.035 0.000 1.093 675 N CA 0.313 53.336 53.050 -0.046 0.000 0.699 675 N CB -1.630 36.838 38.487 -0.032 0.000 1.016 675 N HN 0.090 nan 8.380 nan 0.000 0.552 676 N N -0.349 118.325 118.700 -0.042 0.000 2.467 676 N HA 0.275 5.015 4.740 -0.000 0.000 0.278 676 N C -0.670 174.828 175.510 -0.021 0.000 1.306 676 N CA 0.233 53.267 53.050 -0.027 0.000 0.905 676 N CB 0.424 38.895 38.487 -0.027 0.000 1.236 676 N HN 0.275 nan 8.380 nan 0.000 0.509 677 V N -2.362 117.540 119.914 -0.020 0.000 3.126 677 V HA 0.833 4.953 4.120 -0.000 0.000 0.314 677 V C -0.753 175.344 176.094 0.006 0.000 1.138 677 V CA -0.963 61.334 62.300 -0.004 0.000 1.034 677 V CB 2.059 33.876 31.823 -0.011 0.000 1.075 677 V HN 0.305 nan 8.190 nan 0.000 0.442 678 E N 1.200 121.412 120.200 0.021 0.000 2.388 678 E HA 0.496 4.846 4.350 -0.000 0.000 0.280 678 E C -1.853 174.775 176.600 0.047 0.000 1.019 678 E CA -1.050 55.366 56.400 0.028 0.000 0.806 678 E CB 2.247 31.962 29.700 0.024 0.000 1.246 678 E HN 0.685 nan 8.360 nan 0.000 0.443 679 L N 2.013 123.270 121.223 0.058 0.000 2.313 679 L HA 0.362 4.702 4.340 -0.000 0.000 0.282 679 L C -0.752 176.198 176.870 0.133 0.000 1.092 679 L CA -0.724 54.175 54.840 0.099 0.000 0.831 679 L CB 1.158 43.267 42.059 0.084 0.000 1.159 679 L HN 0.381 nan 8.230 nan 0.000 0.442 680 V N 3.085 123.060 119.914 0.102 0.000 2.495 680 V HA 0.242 4.362 4.120 -0.000 0.000 0.298 680 V C 0.335 176.368 176.094 -0.101 0.000 1.031 680 V CA -0.468 61.840 62.300 0.014 0.000 0.871 680 V CB 1.833 33.632 31.823 -0.039 0.000 0.988 680 V HN 0.783 nan 8.190 nan 0.000 0.432 681 S N 2.917 118.477 115.700 -0.232 0.000 2.579 681 S HA 0.226 4.695 4.470 -0.000 0.000 0.275 681 S C 1.360 175.748 174.600 -0.354 0.000 1.345 681 S CA -0.133 57.717 58.200 -0.584 0.000 1.031 681 S CB 0.459 63.422 63.200 -0.395 0.000 0.892 681 S HN 0.716 nan 8.310 nan 0.000 0.529 682 I N 2.313 122.683 120.570 -0.334 0.000 2.194 682 I HA -0.157 4.013 4.170 -0.000 0.000 0.246 682 I C 1.679 177.674 176.117 -0.203 0.000 1.093 682 I CA 1.672 62.831 61.300 -0.235 0.000 1.355 682 I CB -0.061 37.837 38.000 -0.170 0.000 1.046 682 I HN 0.653 nan 8.210 nan 0.000 0.413 683 E N 0.698 120.802 120.200 -0.160 0.000 2.482 683 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 683 E C 0.925 177.461 176.600 -0.107 0.000 1.047 683 E CA 0.400 56.731 56.400 -0.115 0.000 0.869 683 E CB -0.240 29.411 29.700 -0.081 0.000 0.836 683 E HN 0.627 nan 8.360 nan 0.000 0.520 684 N N -0.002 118.619 118.700 -0.132 0.000 2.205 684 N HA 0.111 4.851 4.740 -0.000 0.000 0.201 684 N C 1.637 177.066 175.510 -0.135 0.000 1.128 684 N CA -0.021 52.966 53.050 -0.106 0.000 0.867 684 N CB 0.475 38.911 38.487 -0.085 0.000 0.996 684 N HN 0.156 nan 8.380 nan 0.000 0.503 685 L N 0.814 121.902 121.223 -0.226 0.000 2.093 685 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 685 L C -1.382 175.380 176.870 -0.179 0.000 1.085 685 L CA 0.680 55.296 54.840 -0.373 0.000 0.755 685 L CB -1.417 40.185 42.059 -0.761 0.000 0.904 685 L HN -0.097 nan 8.230 nan 0.000 0.435 686 P HA -0.014 nan 4.420 nan 0.000 0.262 686 P C 0.686 178.012 177.300 0.042 0.000 1.182 686 P CA 1.648 64.760 63.100 0.019 0.000 0.761 686 P CB 0.505 32.204 31.700 -0.001 0.000 0.795 687 G N 1.936 110.789 108.800 0.089 0.000 2.213 687 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.236 687 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.236 687 G C 0.268 175.225 174.900 0.095 0.000 0.991 687 G CA -0.438 44.704 45.100 0.071 0.000 0.629 687 G HN 0.486 nan 8.290 nan 0.000 0.517 688 R N 0.136 120.729 120.500 0.156 0.000 2.532 688 R HA 0.695 5.035 4.340 -0.000 0.000 0.272 688 R C 0.403 176.855 176.300 0.252 0.000 1.032 688 R CA -0.817 55.395 56.100 0.187 0.000 1.089 688 R CB 0.644 31.044 30.300 0.166 0.000 1.098 688 R HN 0.332 nan 8.270 nan 0.000 0.526 689 I N 1.499 122.163 120.570 0.158 0.000 2.336 689 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 689 I C 0.517 176.708 176.117 0.124 0.000 0.991 689 I CA -0.763 60.589 61.300 0.087 0.000 1.227 689 I CB 1.682 39.710 38.000 0.046 0.000 1.366 689 I HN 0.509 nan 8.210 nan 0.000 0.466 690 A N 4.666 127.514 122.820 0.046 0.000 2.450 690 A HA 0.485 4.805 4.320 -0.000 0.000 0.255 690 A C 1.028 178.652 177.584 0.066 0.000 1.096 690 A CA 0.054 52.148 52.037 0.095 0.000 0.778 690 A CB 0.534 19.477 19.000 -0.096 0.000 1.031 690 A HN 0.945 nan 8.150 nan 0.000 0.494 691 A N 2.726 125.602 122.820 0.094 0.000 2.218 691 A HA 0.293 4.613 4.320 -0.000 0.000 0.209 691 A C 0.659 178.292 177.584 0.081 0.000 1.168 691 A CA 0.877 52.954 52.037 0.067 0.000 0.804 691 A CB -0.549 18.480 19.000 0.049 0.000 0.834 691 A HN 1.100 nan 8.150 nan 0.000 0.482 692 N N -1.857 116.894 118.700 0.085 0.000 2.934 692 N HA 0.416 5.156 4.740 -0.000 0.000 0.253 692 N C -0.519 175.023 175.510 0.054 0.000 1.466 692 N CA 0.003 53.102 53.050 0.082 0.000 0.858 692 N CB 0.558 39.100 38.487 0.092 0.000 1.459 692 N HN -0.007 nan 8.380 nan 0.000 0.532 693 S N -0.645 115.079 115.700 0.039 0.000 2.592 693 S HA 0.584 5.054 4.470 -0.000 0.000 0.271 693 S C -0.261 174.362 174.600 0.038 0.000 1.326 693 S CA -0.662 57.544 58.200 0.011 0.000 1.024 693 S CB 0.683 63.882 63.200 -0.002 0.000 0.921 693 S HN 0.507 nan 8.310 nan 0.000 0.527 694 V N 2.560 122.488 119.914 0.024 0.000 2.444 694 V HA 0.498 4.618 4.120 -0.000 0.000 0.294 694 V C -0.517 175.612 176.094 0.059 0.000 1.022 694 V CA -0.597 61.748 62.300 0.076 0.000 0.850 694 V CB 0.951 32.854 31.823 0.133 0.000 0.992 694 V HN 0.903 nan 8.190 nan 0.000 0.426 695 I N 7.071 127.691 120.570 0.082 0.000 2.583 695 I HA 0.345 4.515 4.170 -0.000 0.000 0.276 695 I C -2.641 173.494 176.117 0.029 0.000 1.089 695 I CA -1.554 59.764 61.300 0.030 0.000 1.103 695 I CB 2.314 40.321 38.000 0.012 0.000 1.209 695 I HN 0.427 nan 8.210 nan 0.000 0.484 696 P HA 0.239 nan 4.420 nan 0.000 0.281 696 P C -1.444 175.792 177.300 -0.107 0.000 1.249 696 P CA -0.265 62.898 63.100 0.106 0.000 0.810 696 P CB 0.739 32.552 31.700 0.189 0.000 1.008 697 Y N 1.722 122.086 120.300 0.106 0.000 2.376 697 Y HA 0.346 4.896 4.550 -0.000 0.000 0.326 697 Y C -1.761 174.219 175.900 0.134 0.000 0.970 697 Y CA -2.035 56.116 58.100 0.085 0.000 1.248 697 Y CB 1.329 39.824 38.460 0.058 0.000 1.117 697 Y HN 0.302 nan 8.280 nan 0.000 0.476 698 P HA 0.225 nan 4.420 nan 0.000 0.277 698 P C -2.400 174.919 177.300 0.033 0.000 1.271 698 P CA -1.940 61.190 63.100 0.051 0.000 0.795 698 P CB 1.322 33.040 31.700 0.030 0.000 1.101 699 P HA 0.087 nan 4.420 nan 0.000 0.261 699 P C 0.736 177.847 177.300 -0.316 0.000 1.352 699 P CA 0.429 63.370 63.100 -0.266 0.000 0.891 699 P CB -0.313 31.107 31.700 -0.465 0.000 1.383 700 G N 1.216 109.702 108.800 -0.523 0.000 2.176 700 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.252 700 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.252 700 G C -0.007 174.614 174.900 -0.465 0.000 1.024 700 G CA 0.415 44.972 45.100 -0.905 0.000 0.755 700 G HN 0.586 nan 8.290 nan 0.000 0.507 701 I N -3.632 116.793 120.570 -0.242 0.000 2.934 701 I HA 0.800 4.970 4.170 -0.000 0.000 0.306 701 I C -2.631 173.527 176.117 0.068 0.000 1.110 701 I CA -3.537 57.742 61.300 -0.036 0.000 1.019 701 I CB 2.070 40.098 38.000 0.048 0.000 1.227 701 I HN -0.159 nan 8.210 nan 0.000 0.434 702 P HA 0.083 nan 4.420 nan 0.000 0.263 702 P C 0.190 177.503 177.300 0.020 0.000 1.195 702 P CA 0.128 63.239 63.100 0.018 0.000 0.762 702 P CB 0.596 32.270 31.700 -0.044 0.000 0.799 703 M N 3.570 123.138 119.600 -0.052 0.000 2.248 703 M HA 0.030 4.510 4.480 -0.000 0.000 0.265 703 M C -0.203 175.907 176.300 -0.316 0.000 1.079 703 M CA 1.641 56.728 55.300 -0.355 0.000 1.150 703 M CB 0.204 32.660 32.600 -0.240 0.000 1.366 703 M HN 0.197 nan 8.290 nan 0.000 0.433 704 L N 0.064 121.156 121.223 -0.218 0.000 2.388 704 L HA 0.527 4.867 4.340 -0.000 0.000 0.264 704 L C -0.980 175.775 176.870 -0.190 0.000 0.998 704 L CA -0.411 54.269 54.840 -0.266 0.000 0.817 704 L CB 2.266 44.092 42.059 -0.387 0.000 1.338 704 L HN 0.082 nan 8.230 nan 0.000 0.414 705 L N -0.008 121.097 121.223 -0.196 0.000 2.335 705 L HA 0.557 4.897 4.340 -0.000 0.000 0.268 705 L C 0.198 177.021 176.870 -0.080 0.000 1.016 705 L CA -0.847 53.926 54.840 -0.112 0.000 0.805 705 L CB 1.708 43.709 42.059 -0.098 0.000 1.311 705 L HN 0.533 nan 8.230 nan 0.000 0.456 706 S N 0.355 116.045 115.700 -0.016 0.000 2.552 706 S HA 0.302 4.772 4.470 -0.000 0.000 0.289 706 S C 0.894 175.499 174.600 0.007 0.000 1.304 706 S CA 0.501 58.708 58.200 0.011 0.000 1.063 706 S CB 0.723 63.961 63.200 0.063 0.000 0.848 706 S HN 1.016 nan 8.310 nan 0.000 0.499 707 G N 2.367 111.166 108.800 -0.003 0.000 2.254 707 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.225 707 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.225 707 G C -0.230 174.653 174.900 -0.030 0.000 1.003 707 G CA -0.251 44.849 45.100 0.001 0.000 0.622 707 G HN 0.641 nan 8.290 nan 0.000 0.507 708 E N 1.030 121.180 120.200 -0.084 0.000 2.331 708 E HA 0.357 4.707 4.350 -0.000 0.000 0.272 708 E C -0.000 176.486 176.600 -0.189 0.000 1.036 708 E CA -0.608 55.712 56.400 -0.134 0.000 0.864 708 E CB 0.695 30.279 29.700 -0.193 0.000 1.035 708 E HN 0.242 nan 8.360 nan 0.000 0.408 709 N N 2.047 120.666 118.700 -0.136 0.000 2.499 709 N HA 0.043 4.783 4.740 -0.000 0.000 0.281 709 N C 0.199 175.614 175.510 -0.157 0.000 1.098 709 N CA 0.016 53.013 53.050 -0.089 0.000 0.979 709 N CB 0.530 39.010 38.487 -0.011 0.000 1.121 709 N HN 0.389 nan 8.380 nan 0.000 0.466 710 F N 1.956 121.897 119.950 -0.016 0.000 2.269 710 F HA 0.034 4.561 4.527 -0.000 0.000 0.301 710 F C 1.891 177.677 175.800 -0.023 0.000 1.082 710 F CA 1.385 59.373 58.000 -0.021 0.000 1.360 710 F CB -0.396 38.596 39.000 -0.014 0.000 1.041 710 F HN 0.736 nan 8.300 nan 0.000 0.512 711 G N -0.022 108.849 108.800 0.118 0.000 2.549 711 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.404 711 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.404 711 G C -1.003 173.935 174.900 0.064 0.000 1.292 711 G CA -0.643 44.494 45.100 0.062 0.000 0.935 711 G HN 0.330 nan 8.290 nan 0.000 0.512 712 D N -0.248 120.174 120.400 0.037 0.000 2.356 712 D HA 0.359 4.998 4.640 -0.000 0.000 0.258 712 D C 1.502 177.817 176.300 0.025 0.000 1.279 712 D CA 0.101 54.117 54.000 0.027 0.000 1.016 712 D CB 0.388 41.197 40.800 0.015 0.000 1.107 712 D HN 0.590 nan 8.370 nan 0.000 0.544 713 K N -1.137 119.270 120.400 0.012 0.000 2.360 713 K HA -0.051 4.269 4.320 -0.000 0.000 0.201 713 K C 0.843 177.445 176.600 0.004 0.000 1.046 713 K CA 0.665 56.955 56.287 0.004 0.000 0.945 713 K CB -0.177 32.322 32.500 -0.003 0.000 0.750 713 K HN 0.319 nan 8.250 nan 0.000 0.464 714 N N 0.638 119.342 118.700 0.007 0.000 2.398 714 N HA -0.060 4.680 4.740 -0.000 0.000 0.188 714 N C 0.053 175.571 175.510 0.012 0.000 1.122 714 N CA 0.169 53.222 53.050 0.005 0.000 0.866 714 N CB 0.381 38.869 38.487 0.002 0.000 0.970 714 N HN -0.039 nan 8.380 nan 0.000 0.462 715 S N 2.972 118.687 115.700 0.024 0.000 3.074 715 S HA -0.038 4.432 4.470 -0.000 0.000 0.359 715 S C -1.021 173.602 174.600 0.037 0.000 1.207 715 S CA -0.874 57.349 58.200 0.039 0.000 1.061 715 S CB 0.735 63.983 63.200 0.080 0.000 0.769 715 S HN 0.185 nan 8.310 nan 0.000 0.512 716 P HA -0.070 nan 4.420 nan 0.000 0.222 716 P C 0.993 178.328 177.300 0.060 0.000 1.153 716 P CA 0.813 63.930 63.100 0.027 0.000 0.798 716 P CB 0.171 31.869 31.700 -0.004 0.000 0.796 717 Q N 0.141 119.973 119.800 0.053 0.000 2.020 717 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 717 Q C 2.363 178.470 176.000 0.178 0.000 0.982 717 Q CA 1.449 57.312 55.803 0.101 0.000 0.838 717 Q CB -1.596 27.184 28.738 0.069 0.000 0.899 717 Q HN 0.068 nan 8.270 nan 0.000 0.423 718 V N -0.007 120.003 119.914 0.161 0.000 2.343 718 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 718 V C 2.259 178.372 176.094 0.032 0.000 1.051 718 V CA 1.843 64.187 62.300 0.074 0.000 1.036 718 V CB -0.809 31.023 31.823 0.014 0.000 0.654 718 V HN 0.383 nan 8.190 nan 0.000 0.451 719 S N -1.247 114.484 115.700 0.053 0.000 2.383 719 S HA -0.249 4.221 4.470 -0.000 0.000 0.229 719 S C 1.974 176.627 174.600 0.088 0.000 1.030 719 S CA 1.836 60.064 58.200 0.045 0.000 1.002 719 S CB -0.379 62.848 63.200 0.046 0.000 0.829 719 S HN 0.688 nan 8.310 nan 0.000 0.467 720 Y N 1.867 122.163 120.300 -0.008 0.000 2.220 720 Y HA 0.093 4.643 4.550 -0.000 0.000 0.291 720 Y C 1.856 177.745 175.900 -0.018 0.000 1.129 720 Y CA 1.160 59.261 58.100 0.002 0.000 1.161 720 Y CB -0.625 37.853 38.460 0.031 0.000 0.997 720 Y HN 0.225 nan 8.280 nan 0.000 0.522 721 L N -0.263 120.894 121.223 -0.110 0.000 2.042 721 L HA -0.284 4.056 4.340 -0.000 0.000 0.210 721 L C 2.658 179.306 176.870 -0.369 0.000 1.076 721 L CA 1.631 56.343 54.840 -0.214 0.000 0.749 721 L CB -0.557 41.478 42.059 -0.038 0.000 0.893 721 L HN 0.120 nan 8.230 nan 0.000 0.432 722 R N -0.812 119.549 120.500 -0.231 0.000 2.105 722 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 722 R C 2.629 178.828 176.300 -0.168 0.000 1.135 722 R CA 1.625 57.594 56.100 -0.219 0.000 0.967 722 R CB -0.363 29.871 30.300 -0.110 0.000 0.861 722 R HN 0.264 nan 8.270 nan 0.000 0.442 723 S N 0.695 116.331 115.700 -0.106 0.000 2.355 723 S HA -0.061 4.409 4.470 -0.000 0.000 0.222 723 S C 1.970 176.581 174.600 0.018 0.000 1.031 723 S CA 0.898 59.120 58.200 0.037 0.000 0.993 723 S CB -0.107 63.139 63.200 0.077 0.000 0.859 723 S HN 0.187 nan 8.310 nan 0.000 0.453 724 L N 1.260 122.305 121.223 -0.296 0.000 1.989 724 L HA -0.172 4.167 4.340 -0.000 0.000 0.211 724 L C 2.914 179.738 176.870 -0.077 0.000 1.071 724 L CA 2.037 56.681 54.840 -0.327 0.000 0.749 724 L CB -0.679 41.125 42.059 -0.424 0.000 0.890 724 L HN 0.466 nan 8.230 nan 0.000 0.431 725 Q N -0.579 118.937 119.800 -0.474 0.000 2.124 725 Q HA -0.237 4.102 4.340 -0.000 0.000 0.202 725 Q C 2.370 178.170 176.000 -0.334 0.000 0.977 725 Q CA 1.970 57.422 55.803 -0.584 0.000 0.850 725 Q CB -0.021 28.070 28.738 -1.080 0.000 0.901 725 Q HN 0.400 nan 8.270 nan 0.000 0.429 726 S N -0.017 115.596 115.700 -0.144 0.000 2.368 726 S HA -0.149 4.320 4.470 -0.000 0.000 0.224 726 S C 1.480 176.135 174.600 0.092 0.000 1.029 726 S CA 0.997 59.221 58.200 0.041 0.000 0.988 726 S CB -0.685 62.683 63.200 0.280 0.000 0.838 726 S HN 0.714 nan 8.310 nan 0.000 0.462 727 W N 2.485 123.709 121.300 -0.127 0.000 2.318 727 W HA -0.200 4.459 4.660 -0.000 0.000 0.313 727 W C 1.272 177.734 176.519 -0.095 0.000 1.221 727 W CA 2.168 59.228 57.345 -0.475 0.000 1.266 727 W CB -1.001 28.320 29.460 -0.232 0.000 1.150 727 W HN 0.336 nan 8.180 nan 0.000 0.496 728 D N -1.014 119.564 120.400 0.297 0.000 2.116 728 D HA -0.221 4.419 4.640 -0.000 0.000 0.193 728 D C 1.978 178.356 176.300 0.130 0.000 0.998 728 D CA 1.953 56.124 54.000 0.284 0.000 0.836 728 D CB -1.093 39.956 40.800 0.415 0.000 0.951 728 D HN 0.465 nan 8.370 nan 0.000 0.449 729 H N -1.585 117.449 119.070 -0.059 0.000 2.423 729 H HA -0.068 4.488 4.556 -0.000 0.000 0.297 729 H C 1.792 176.935 175.328 -0.308 0.000 1.075 729 H CA 0.867 56.839 56.048 -0.127 0.000 1.342 729 H CB 0.179 29.906 29.762 -0.059 0.000 1.395 729 H HN 0.258 nan 8.280 nan 0.000 0.530 730 H N -0.711 118.081 119.070 -0.463 0.000 2.470 730 H HA -0.001 4.555 4.556 -0.000 0.000 0.289 730 H C -0.258 174.238 175.328 -1.387 0.000 1.033 730 H CA 0.677 56.144 56.048 -0.969 0.000 1.331 730 H CB 0.389 29.375 29.762 -1.293 0.000 1.414 730 H HN 0.075 nan 8.280 nan 0.000 0.545 731 F N 1.971 121.642 119.950 -0.465 0.000 2.449 731 F HA 0.314 4.840 4.527 -0.000 0.000 0.329 731 F C -2.420 173.332 175.800 -0.080 0.000 1.245 731 F CA -3.251 54.542 58.000 -0.344 0.000 1.193 731 F CB 0.626 39.126 39.000 -0.834 0.000 1.425 731 F HN -0.043 nan 8.300 nan 0.000 0.544 732 P HA 0.147 nan 4.420 nan 0.000 0.265 732 P C 1.012 178.072 177.300 -0.399 0.000 1.193 732 P CA 1.185 64.034 63.100 -0.419 0.000 0.765 732 P CB 1.191 32.303 31.700 -0.981 0.000 0.823 733 G N 2.111 110.721 108.800 -0.316 0.000 2.234 733 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.235 733 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.235 733 G C 0.237 174.864 174.900 -0.455 0.000 0.997 733 G CA -0.270 44.657 45.100 -0.288 0.000 0.623 733 G HN 0.443 nan 8.290 nan 0.000 0.514 734 F N 2.176 122.174 119.950 0.079 0.000 2.850 734 F HA 0.520 5.047 4.527 -0.000 0.000 0.306 734 F C 0.740 176.684 175.800 0.241 0.000 1.162 734 F CA -0.687 57.418 58.000 0.174 0.000 1.327 734 F CB 0.549 39.702 39.000 0.255 0.000 0.953 734 F HN 0.003 nan 8.300 nan 0.000 0.507 735 E N 0.404 120.752 120.200 0.246 0.000 2.413 735 E HA 0.007 4.357 4.350 -0.000 0.000 0.263 735 E C 0.283 176.973 176.600 0.150 0.000 1.015 735 E CA 0.250 56.803 56.400 0.256 0.000 0.916 735 E CB 0.237 30.054 29.700 0.194 0.000 0.947 735 E HN 0.228 nan 8.360 nan 0.000 0.440 736 H N 2.064 121.290 119.070 0.261 0.000 2.679 736 H HA 0.115 4.671 4.556 -0.000 0.000 0.369 736 H C -0.006 175.391 175.328 0.113 0.000 1.178 736 H CA 0.233 56.377 56.048 0.159 0.000 1.419 736 H CB 0.720 30.575 29.762 0.156 0.000 1.458 736 H HN 0.499 nan 8.280 nan 0.000 0.605 737 E N 1.287 121.614 120.200 0.212 0.000 2.179 737 E HA 0.301 4.651 4.350 -0.000 0.000 0.275 737 E C -0.630 176.107 176.600 0.229 0.000 0.945 737 E CA -0.747 55.725 56.400 0.120 0.000 0.792 737 E CB 1.702 31.392 29.700 -0.017 0.000 1.125 737 E HN 0.423 nan 8.360 nan 0.000 0.397 738 T N 2.105 116.746 114.554 0.145 0.000 2.930 738 T HA 0.120 4.469 4.350 -0.000 0.000 0.313 738 T C -0.332 174.449 174.700 0.135 0.000 1.019 738 T CA -0.597 61.615 62.100 0.187 0.000 1.004 738 T CB 1.055 69.988 68.868 0.108 0.000 0.987 738 T HN 0.343 nan 8.240 nan 0.000 0.456 739 E N 1.341 121.670 120.200 0.214 0.000 2.414 739 E HA 0.329 4.679 4.350 -0.000 0.000 0.263 739 E C 1.194 177.856 176.600 0.103 0.000 1.000 739 E CA 1.132 57.616 56.400 0.139 0.000 0.914 739 E CB 0.443 30.246 29.700 0.171 0.000 0.948 739 E HN 1.028 nan 8.360 nan 0.000 0.444 740 G N 2.844 111.689 108.800 0.075 0.000 2.175 740 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 740 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 740 G C 0.326 175.273 174.900 0.079 0.000 0.982 740 G CA 0.416 45.564 45.100 0.079 0.000 0.641 740 G HN 0.681 nan 8.290 nan 0.000 0.527 741 T N -1.777 112.803 114.554 0.045 0.000 2.944 741 T HA 0.757 5.106 4.350 -0.000 0.000 0.284 741 T C -0.487 174.209 174.700 -0.006 0.000 1.010 741 T CA -0.533 61.577 62.100 0.017 0.000 1.025 741 T CB 2.783 71.597 68.868 -0.092 0.000 1.079 741 T HN 0.270 nan 8.240 nan 0.000 0.516 742 E N 0.387 120.595 120.200 0.012 0.000 2.248 742 E HA 0.478 4.828 4.350 -0.000 0.000 0.267 742 E C -1.045 175.554 176.600 -0.002 0.000 0.877 742 E CA -0.716 55.675 56.400 -0.014 0.000 0.759 742 E CB 2.421 32.109 29.700 -0.020 0.000 1.182 742 E HN 0.558 nan 8.360 nan 0.000 0.418 743 I N 3.987 124.536 120.570 -0.034 0.000 2.330 743 I HA 0.341 4.510 4.170 -0.000 0.000 0.289 743 I C -0.477 175.653 176.117 0.022 0.000 1.001 743 I CA -0.341 60.974 61.300 0.024 0.000 1.193 743 I CB 0.729 38.718 38.000 -0.019 0.000 1.345 743 I HN 0.323 nan 8.210 nan 0.000 0.461 744 I N 5.896 126.495 120.570 0.049 0.000 2.411 744 I HA 0.253 4.423 4.170 -0.000 0.000 0.284 744 I C -0.460 175.703 176.117 0.077 0.000 1.012 744 I CA -0.495 60.782 61.300 -0.039 0.000 1.119 744 I CB 1.267 39.075 38.000 -0.321 0.000 1.261 744 I HN 0.567 nan 8.210 nan 0.000 0.448 745 D N 5.319 125.751 120.400 0.054 0.000 2.708 745 D HA -0.197 4.442 4.640 -0.000 0.000 0.236 745 D C 1.191 177.550 176.300 0.098 0.000 1.146 745 D CA 1.579 55.615 54.000 0.061 0.000 0.662 745 D CB -0.862 39.969 40.800 0.051 0.000 1.059 745 D HN 1.155 nan 8.370 nan 0.000 0.428 746 G N -0.967 107.919 108.800 0.143 0.000 2.155 746 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.257 746 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.257 746 G C 0.263 175.445 174.900 0.470 0.000 0.983 746 G CA 0.498 45.754 45.100 0.259 0.000 0.676 746 G HN 0.496 nan 8.290 nan 0.000 0.528 747 I N 0.467 121.263 120.570 0.376 0.000 2.378 747 I HA 0.475 4.644 4.170 -0.000 0.000 0.291 747 I C 0.142 176.552 176.117 0.488 0.000 0.992 747 I CA -1.404 60.129 61.300 0.388 0.000 1.154 747 I CB 0.965 39.122 38.000 0.261 0.000 1.315 747 I HN 0.032 nan 8.210 nan 0.000 0.448 748 Y N 5.427 125.794 120.300 0.111 0.000 2.620 748 Y HA 0.218 4.768 4.550 -0.000 0.000 0.330 748 Y C 0.209 176.120 175.900 0.018 0.000 1.186 748 Y CA 0.197 58.355 58.100 0.097 0.000 1.467 748 Y CB -0.221 38.241 38.460 0.003 0.000 1.262 748 Y HN 0.473 nan 8.280 nan 0.000 0.550 749 H N -0.051 119.076 119.070 0.094 0.000 2.821 749 H HA 0.771 5.327 4.556 -0.000 0.000 0.373 749 H C -1.133 174.211 175.328 0.027 0.000 1.165 749 H CA -0.942 55.128 56.048 0.038 0.000 1.154 749 H CB 1.716 31.492 29.762 0.024 0.000 1.765 749 H HN 0.317 nan 8.280 nan 0.000 0.549 750 V N 2.270 122.255 119.914 0.118 0.000 2.709 750 V HA 0.220 4.340 4.120 -0.000 0.000 0.308 750 V C 0.007 176.171 176.094 0.116 0.000 1.062 750 V CA -0.898 61.475 62.300 0.122 0.000 0.901 750 V CB 2.199 34.118 31.823 0.160 0.000 1.003 750 V HN 0.730 nan 8.190 nan 0.000 0.425 751 M N 3.569 123.238 119.600 0.115 0.000 2.268 751 M HA 0.285 4.765 4.480 -0.000 0.000 0.349 751 M C -0.810 175.558 176.300 0.113 0.000 1.485 751 M CA 0.491 55.846 55.300 0.093 0.000 1.094 751 M CB -0.046 32.596 32.600 0.070 0.000 1.843 751 M HN 0.811 nan 8.290 nan 0.000 0.460 752 C N 3.433 122.790 119.300 0.095 0.000 2.779 752 C HA 0.580 5.040 4.460 -0.000 0.000 0.314 752 C C -0.161 174.867 174.990 0.064 0.000 1.231 752 C CA -1.178 57.905 59.018 0.108 0.000 1.652 752 C CB 1.817 29.629 27.740 0.121 0.000 2.198 752 C HN 0.647 nan 8.230 nan 0.000 0.483 753 V N 2.674 122.622 119.914 0.058 0.000 2.673 753 V HA 0.048 4.167 4.120 -0.000 0.000 0.303 753 V C 0.557 176.669 176.094 0.029 0.000 1.046 753 V CA 0.244 62.563 62.300 0.031 0.000 1.126 753 V CB 0.060 31.898 31.823 0.026 0.000 0.934 753 V HN 0.779 nan 8.190 nan 0.000 0.487 754 K N 2.922 123.331 120.400 0.016 0.000 2.436 754 K HA 0.408 4.727 4.320 -0.000 0.000 0.275 754 K C 0.589 177.198 176.600 0.015 0.000 0.999 754 K CA 0.096 56.391 56.287 0.014 0.000 0.980 754 K CB 0.553 33.057 32.500 0.006 0.000 0.919 754 K HN 0.897 nan 8.250 nan 0.000 0.484 755 A N 0.000 122.829 122.820 0.016 0.000 2.254 755 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 755 A CA 0.000 52.046 52.037 0.015 0.000 0.836 755 A CB 0.000 19.008 19.000 0.013 0.000 0.831 755 A HN 0.000 nan 8.150 nan 0.000 0.486