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 3k6s_1_D DATA FIRST_RESID 1 DATA SEQUENCE QEcTKFKVSS cREcIESGPG cTWcQKLNFT GPGDPDSIRc DTRPQLLMRG DATA SEQUENCE cAADDIMDPT SLAETQEDHN GGQKQLSPQK VTLYLRPGQA AAFNVTFRRA DATA SEQUENCE KGYPIDLYYL MDLSYSMLDD LRNVKKLGGD LLRALNEITE SGRIGFGSFV DATA SEQUENCE DKTVLPFVNT HPDKLRNPcP NKEKEcQPPF AFRHVLKLTN NSNQFQTEVG DATA SEQUENCE KQLISGNLDA PEGGLDAMMQ VAAcPEEIGW RNVTRLLVFA TDDGFHFAGD DATA SEQUENCE GKLGAILTPN DGRcHLEDNL YKRSNEFDYP SVGQLAHKLA ENNIQPIFAV DATA SEQUENCE TSRMVKTYEK LTEIIPKSAV GELSEDSSNV VQLIKNAYNK LSSRVFLDHN DATA SEQUENCE ALPDTLKVTY DSFcSNGVTH RNQPRGDcDG VQINVPITFQ VKVTATEcIQ DATA SEQUENCE EQSFVIRALG FTDIVTVQVL PQcEcRcRDQ SRDRSLcHGK GFLEcGIcRc DATA SEQUENCE DTGYIGKNcE cQTQGRSSQE LEGScRKDNN SIIcSGLGDc VcGQcLcHTS DATA SEQUENCE DVPGKLIYGQ YcEcDTINcE RYNGQVcGGP GRGLcFcGKc RcHPGFEGSA DATA SEQUENCE cQcERTTEGc LNPRRVEcSG RGRcRcNVcE cHSGYQLPLc QECPGCPSPc DATA SEQUENCE GKYIScAEcL KFEKGPFGKN cSAAcPGLQL SNNPVKGRTc KERDSEGcWV DATA SEQUENCE AYTLEQQDGM DRYLIYVDES REcV 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.015 176.000 0.024 0.000 1.003 1 Q CA 0.000 55.816 55.803 0.022 0.000 1.022 1 Q CB 0.000 28.751 28.738 0.021 0.000 1.108 2 E N 0.155 120.371 120.200 0.028 0.000 2.481 2 E HA 0.534 4.884 4.350 -0.000 0.000 0.301 2 E C -1.658 174.964 176.600 0.038 0.000 0.948 2 E CA -0.690 55.729 56.400 0.031 0.000 0.804 2 E CB 1.731 31.448 29.700 0.028 0.000 1.265 2 E HN 0.277 nan 8.360 nan 0.000 0.406 3 c N 3.050 121.677 118.600 0.045 0.000 3.096 3 c HA 0.360 4.930 4.570 -0.000 0.000 0.391 3 c C -0.978 173.151 174.090 0.066 0.000 1.085 3 c CA 0.014 56.377 56.329 0.056 0.000 1.289 3 c CB 0.337 42.883 42.510 0.060 0.000 1.685 3 c HN 0.790 nan 8.230 nan 0.000 0.515 4 T N 4.985 119.584 114.554 0.074 0.000 2.799 4 T HA 0.347 4.697 4.350 -0.000 0.000 0.286 4 T C -0.217 174.555 174.700 0.119 0.000 0.973 4 T CA -0.340 61.813 62.100 0.088 0.000 1.035 4 T CB 1.086 70.006 68.868 0.086 0.000 0.932 4 T HN 0.642 nan 8.240 nan 0.000 0.469 5 K N 2.643 123.118 120.400 0.124 0.000 2.316 5 K HA 0.279 4.599 4.320 -0.000 0.000 0.289 5 K C -0.295 176.419 176.600 0.191 0.000 1.070 5 K CA -0.375 56.002 56.287 0.151 0.000 0.928 5 K CB 0.427 33.001 32.500 0.124 0.000 1.039 5 K HN 0.465 nan 8.250 nan 0.000 0.480 6 F N 2.454 122.443 119.950 0.066 0.000 2.284 6 F HA 0.133 4.660 4.527 -0.000 0.000 0.297 6 F C 0.748 176.602 175.800 0.091 0.000 1.215 6 F CA -0.682 57.355 58.000 0.062 0.000 1.120 6 F CB 0.577 39.569 39.000 -0.014 0.000 1.426 6 F HN 0.290 nan 8.300 nan 0.000 0.514 7 K N 1.965 121.873 120.400 -0.819 0.000 2.405 7 K HA 0.164 4.484 4.320 -0.000 0.000 0.276 7 K C -1.476 175.116 176.600 -0.013 0.000 1.099 7 K CA 0.015 56.090 56.287 -0.354 0.000 1.120 7 K CB -0.325 31.806 32.500 -0.614 0.000 0.877 7 K HN 0.426 nan 8.250 nan 0.000 0.472 8 V N 4.538 124.491 119.914 0.065 0.000 2.294 8 V HA 0.056 4.176 4.120 -0.000 0.000 0.272 8 V C 0.756 176.908 176.094 0.097 0.000 1.027 8 V CA -0.175 62.198 62.300 0.122 0.000 0.823 8 V CB 0.932 32.885 31.823 0.216 0.000 1.030 8 V HN 0.904 nan 8.190 nan 0.000 0.457 9 S N 3.361 119.082 115.700 0.035 0.000 2.527 9 S HA 0.186 4.656 4.470 -0.000 0.000 0.227 9 S C 0.887 175.471 174.600 -0.026 0.000 1.059 9 S CA 0.592 58.803 58.200 0.018 0.000 0.919 9 S CB 0.358 63.555 63.200 -0.005 0.000 0.805 9 S HN 0.867 nan 8.310 nan 0.000 0.500 10 S N -0.253 115.360 115.700 -0.145 0.000 2.806 10 S HA 0.337 4.807 4.470 -0.000 0.000 0.306 10 S C 1.291 175.385 174.600 -0.844 0.000 1.167 10 S CA -0.143 57.850 58.200 -0.345 0.000 0.847 10 S CB 0.483 63.553 63.200 -0.217 0.000 1.216 10 S HN 0.618 nan 8.310 nan 0.000 0.532 11 c N -0.046 117.859 118.600 -1.159 0.000 2.432 11 c HA 0.202 4.772 4.570 -0.000 0.000 0.280 11 c C 2.559 176.245 174.090 -0.673 0.000 1.353 11 c CA 0.963 56.334 56.329 -1.598 0.000 1.766 11 c CB -1.638 40.067 42.510 -1.342 0.000 1.924 11 c HN 0.972 nan 8.230 nan 0.000 0.509 12 R N 1.326 121.578 120.500 -0.414 0.000 2.090 12 R HA -0.035 4.305 4.340 -0.000 0.000 0.228 12 R C 2.195 178.399 176.300 -0.160 0.000 1.110 12 R CA 1.479 57.445 56.100 -0.222 0.000 0.973 12 R CB -0.332 29.873 30.300 -0.158 0.000 0.869 12 R HN 0.641 nan 8.270 nan 0.000 0.440 13 E N -0.266 119.841 120.200 -0.155 0.000 2.418 13 E HA -0.163 4.186 4.350 -0.000 0.000 0.197 13 E C 1.836 178.445 176.600 0.014 0.000 1.026 13 E CA 0.648 57.020 56.400 -0.046 0.000 0.862 13 E CB 0.001 29.699 29.700 -0.003 0.000 0.799 13 E HN 0.397 nan 8.360 nan 0.000 0.518 14 c N 0.530 119.110 118.600 -0.034 0.000 2.485 14 c HA 0.022 4.592 4.570 -0.000 0.000 0.278 14 c C 2.265 176.392 174.090 0.062 0.000 1.356 14 c CA -0.047 56.341 56.329 0.099 0.000 1.747 14 c CB -0.534 42.139 42.510 0.272 0.000 2.001 14 c HN 0.290 nan 8.230 nan 0.000 0.501 15 I N 1.194 121.757 120.570 -0.012 0.000 2.439 15 I HA -0.036 4.134 4.170 -0.000 0.000 0.251 15 I C 2.144 178.242 176.117 -0.032 0.000 1.139 15 I CA 1.348 62.639 61.300 -0.014 0.000 1.438 15 I CB -1.507 36.467 38.000 -0.043 0.000 1.085 15 I HN 0.485 nan 8.210 nan 0.000 0.427 16 E N 0.370 120.533 120.200 -0.060 0.000 2.438 16 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 16 E C 1.684 178.206 176.600 -0.130 0.000 1.110 16 E CA 0.034 56.364 56.400 -0.117 0.000 0.893 16 E CB 0.131 29.727 29.700 -0.173 0.000 0.990 16 E HN 0.323 nan 8.360 nan 0.000 0.490 17 S N -0.291 115.388 115.700 -0.035 0.000 2.468 17 S HA 0.216 4.686 4.470 -0.000 0.000 0.226 17 S C 0.743 175.341 174.600 -0.003 0.000 1.051 17 S CA 0.462 58.667 58.200 0.008 0.000 0.943 17 S CB 0.922 64.179 63.200 0.094 0.000 0.810 17 S HN 0.411 nan 8.310 nan 0.000 0.509 18 G N 0.419 109.220 108.800 0.001 0.000 2.325 18 G HA2 0.349 4.309 3.960 -0.000 0.000 0.297 18 G HA3 0.349 4.309 3.960 -0.000 0.000 0.297 18 G C -2.936 171.971 174.900 0.012 0.000 1.448 18 G CA -0.777 44.325 45.100 0.003 0.000 0.838 18 G HN -0.167 nan 8.290 nan 0.000 0.579 19 P HA 0.024 nan 4.420 nan 0.000 0.215 19 P C 1.763 179.077 177.300 0.024 0.000 1.157 19 P CA 1.858 64.968 63.100 0.016 0.000 0.868 19 P CB 0.161 31.869 31.700 0.014 0.000 0.788 20 G N -1.653 107.163 108.800 0.027 0.000 3.332 20 G HA2 0.062 4.022 3.960 -0.000 0.000 0.242 20 G HA3 0.062 4.022 3.960 -0.000 0.000 0.242 20 G C -0.226 174.698 174.900 0.040 0.000 1.276 20 G CA -0.110 45.008 45.100 0.031 0.000 0.988 20 G HN 0.266 nan 8.290 nan 0.000 0.517 21 c N 1.480 120.108 118.600 0.047 0.000 2.295 21 c HA 0.723 5.293 4.570 -0.000 0.000 0.331 21 c C 0.741 174.879 174.090 0.080 0.000 1.280 21 c CA -0.662 55.708 56.329 0.068 0.000 1.746 21 c CB 0.176 42.732 42.510 0.077 0.000 2.328 21 c HN 0.518 nan 8.230 nan 0.000 0.521 22 T N 0.619 115.226 114.554 0.088 0.000 2.942 22 T HA 0.710 5.060 4.350 -0.000 0.000 0.289 22 T C -0.956 173.846 174.700 0.171 0.000 1.044 22 T CA -0.621 61.541 62.100 0.103 0.000 1.023 22 T CB 1.971 70.867 68.868 0.047 0.000 1.123 22 T HN 0.825 nan 8.240 nan 0.000 0.512 23 W N 0.701 121.973 121.300 -0.047 0.000 2.936 23 W HA 0.604 5.264 4.660 -0.000 0.000 0.338 23 W C -1.694 174.759 176.519 -0.110 0.000 1.121 23 W CA -1.443 55.862 57.345 -0.068 0.000 1.209 23 W CB 1.976 31.410 29.460 -0.043 0.000 1.420 23 W HN 0.970 nan 8.180 nan 0.000 0.516 24 c N 6.033 124.094 118.600 -0.899 0.000 2.351 24 c HA 0.305 4.875 4.570 -0.000 0.000 0.326 24 c C 1.201 174.904 174.090 -0.645 0.000 1.272 24 c CA -0.173 55.743 56.329 -0.689 0.000 1.650 24 c CB 0.872 42.846 42.510 -0.893 0.000 2.257 24 c HN 0.786 nan 8.230 nan 0.000 0.505 25 Q N 3.116 122.806 119.800 -0.183 0.000 2.378 25 Q HA 0.119 4.459 4.340 -0.000 0.000 0.216 25 Q C 0.566 176.543 176.000 -0.038 0.000 0.892 25 Q CA -0.034 55.784 55.803 0.025 0.000 0.931 25 Q CB 0.079 28.896 28.738 0.132 0.000 1.086 25 Q HN 0.708 nan 8.270 nan 0.000 0.528 26 K N 2.004 122.338 120.400 -0.111 0.000 2.437 26 K HA 0.033 4.353 4.320 -0.000 0.000 0.277 26 K C -0.418 176.189 176.600 0.010 0.000 1.073 26 K CA -0.111 56.151 56.287 -0.043 0.000 1.105 26 K CB 0.323 32.797 32.500 -0.043 0.000 0.881 26 K HN 0.191 nan 8.250 nan 0.000 0.475 27 L N 3.767 125.014 121.223 0.039 0.000 2.468 27 L HA -0.050 4.290 4.340 -0.000 0.000 0.253 27 L C 0.879 177.798 176.870 0.082 0.000 1.237 27 L CA -0.099 54.774 54.840 0.055 0.000 0.823 27 L CB 0.105 42.186 42.059 0.037 0.000 1.124 27 L HN 0.928 nan 8.230 nan 0.000 0.504 28 N N -0.465 118.272 118.700 0.063 0.000 2.713 28 N HA -0.309 4.431 4.740 -0.000 0.000 0.251 28 N C 0.300 175.848 175.510 0.063 0.000 1.117 28 N CA 1.251 54.328 53.050 0.044 0.000 0.770 28 N CB -1.479 37.024 38.487 0.027 0.000 1.137 28 N HN 0.563 nan 8.380 nan 0.000 0.566 29 F N 0.638 120.556 119.950 -0.053 0.000 2.569 29 F HA 0.120 4.647 4.527 -0.000 0.000 0.295 29 F C 0.754 176.514 175.800 -0.066 0.000 1.115 29 F CA 0.662 58.621 58.000 -0.068 0.000 1.450 29 F CB 0.446 39.384 39.000 -0.104 0.000 1.107 29 F HN -0.149 nan 8.300 nan 0.000 0.563 30 T N 1.514 116.087 114.554 0.032 0.000 2.761 30 T HA 0.421 4.771 4.350 -0.000 0.000 0.296 30 T C 0.718 175.370 174.700 -0.080 0.000 0.934 30 T CA -0.045 62.039 62.100 -0.028 0.000 1.091 30 T CB 0.771 69.652 68.868 0.022 0.000 0.896 30 T HN 0.316 nan 8.240 nan 0.000 0.515 31 G N 3.753 112.484 108.800 -0.114 0.000 2.683 31 G HA2 0.223 4.183 3.960 -0.000 0.000 0.260 31 G HA3 0.223 4.183 3.960 -0.000 0.000 0.260 31 G C -1.200 173.670 174.900 -0.049 0.000 1.238 31 G CA -1.215 43.829 45.100 -0.094 0.000 0.934 31 G HN 0.415 nan 8.290 nan 0.000 0.534 32 P HA -0.076 nan 4.420 nan 0.000 0.217 32 P C 0.982 178.276 177.300 -0.011 0.000 1.158 32 P CA 2.154 65.241 63.100 -0.022 0.000 0.887 32 P CB 0.131 31.819 31.700 -0.019 0.000 0.792 33 G N -1.198 107.598 108.800 -0.007 0.000 4.632 33 G HA2 0.180 4.140 3.960 -0.000 0.000 0.244 33 G HA3 0.180 4.140 3.960 -0.000 0.000 0.244 33 G C -1.177 173.738 174.900 0.025 0.000 1.070 33 G CA -0.221 44.886 45.100 0.010 0.000 0.791 33 G HN -0.047 nan 8.290 nan 0.000 0.544 34 D N 1.046 121.453 120.400 0.010 0.000 2.272 34 D HA 0.494 5.134 4.640 -0.000 0.000 0.247 34 D C -2.250 174.072 176.300 0.038 0.000 0.990 34 D CA -1.409 52.606 54.000 0.025 0.000 0.931 34 D CB 2.116 42.907 40.800 -0.014 0.000 1.195 34 D HN 0.030 nan 8.370 nan 0.000 0.477 35 P HA 0.107 nan 4.420 nan 0.000 0.269 35 P C 0.246 177.578 177.300 0.052 0.000 1.215 35 P CA -0.163 62.975 63.100 0.063 0.000 0.780 35 P CB 0.737 32.512 31.700 0.125 0.000 0.898 36 D N -0.234 120.195 120.400 0.049 0.000 2.317 36 D HA -0.084 4.556 4.640 -0.000 0.000 0.211 36 D C 1.509 177.867 176.300 0.097 0.000 0.966 36 D CA 1.029 55.074 54.000 0.075 0.000 0.876 36 D CB -0.208 40.653 40.800 0.102 0.000 0.927 36 D HN 0.363 nan 8.370 nan 0.000 0.519 37 S N 0.568 116.334 115.700 0.110 0.000 2.555 37 S HA -0.069 4.400 4.470 -0.000 0.000 0.230 37 S C 2.141 176.793 174.600 0.086 0.000 0.978 37 S CA 0.002 58.285 58.200 0.138 0.000 0.934 37 S CB -0.721 62.559 63.200 0.135 0.000 0.766 37 S HN 0.504 nan 8.310 nan 0.000 0.533 38 I N -0.672 119.934 120.570 0.060 0.000 2.676 38 I HA 0.025 4.195 4.170 -0.000 0.000 0.259 38 I C 2.242 178.357 176.117 -0.003 0.000 1.194 38 I CA 0.618 61.957 61.300 0.065 0.000 1.473 38 I CB -0.375 37.688 38.000 0.105 0.000 1.096 38 I HN 0.082 nan 8.210 nan 0.000 0.443 39 R N 0.513 120.896 120.500 -0.195 0.000 2.237 39 R HA -0.013 4.327 4.340 -0.000 0.000 0.219 39 R C 0.671 176.606 176.300 -0.608 0.000 1.080 39 R CA 0.696 56.410 56.100 -0.643 0.000 0.995 39 R CB -0.375 29.177 30.300 -1.246 0.000 0.875 39 R HN 0.445 nan 8.270 nan 0.000 0.462 40 c N 1.656 120.138 118.600 -0.198 0.000 2.206 40 c HA 0.329 4.898 4.570 -0.000 0.000 0.324 40 c C -0.521 173.600 174.090 0.052 0.000 1.120 40 c CA -0.763 55.604 56.329 0.063 0.000 1.546 40 c CB -0.657 42.046 42.510 0.322 0.000 2.023 40 c HN 0.295 nan 8.230 nan 0.000 0.448 41 D N 1.610 122.019 120.400 0.014 0.000 2.989 41 D HA 0.528 5.168 4.640 -0.000 0.000 0.284 41 D C -0.164 176.154 176.300 0.030 0.000 1.212 41 D CA 0.183 54.201 54.000 0.030 0.000 1.055 41 D CB 1.868 42.680 40.800 0.020 0.000 1.351 41 D HN 0.509 nan 8.370 nan 0.000 0.611 42 T N -1.665 112.904 114.554 0.027 0.000 2.922 42 T HA 0.326 4.676 4.350 -0.000 0.000 0.285 42 T C 1.205 175.912 174.700 0.012 0.000 1.005 42 T CA -0.486 61.629 62.100 0.024 0.000 1.061 42 T CB 1.664 70.548 68.868 0.026 0.000 1.007 42 T HN 0.449 nan 8.240 nan 0.000 0.502 43 R N 1.373 121.880 120.500 0.011 0.000 2.113 43 R HA -0.094 4.246 4.340 -0.000 0.000 0.244 43 R C -0.925 175.377 176.300 0.003 0.000 1.142 43 R CA 1.802 57.904 56.100 0.002 0.000 0.953 43 R CB -1.517 28.787 30.300 0.007 0.000 0.860 43 R HN 0.535 nan 8.270 nan 0.000 0.438 44 P HA -0.150 nan 4.420 nan 0.000 0.215 44 P C 0.953 178.263 177.300 0.016 0.000 1.157 44 P CA 1.200 64.308 63.100 0.013 0.000 0.868 44 P CB -0.095 31.614 31.700 0.014 0.000 0.788 45 Q N -0.616 119.196 119.800 0.019 0.000 2.124 45 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 45 Q C 2.307 178.329 176.000 0.038 0.000 0.977 45 Q CA 1.216 57.036 55.803 0.028 0.000 0.850 45 Q CB -1.043 27.714 28.738 0.031 0.000 0.901 45 Q HN 0.361 nan 8.270 nan 0.000 0.429 46 L N 0.044 121.277 121.223 0.016 0.000 2.046 46 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 46 L C 2.401 179.291 176.870 0.034 0.000 1.077 46 L CA 0.927 55.768 54.840 0.002 0.000 0.747 46 L CB -0.508 41.505 42.059 -0.077 0.000 0.896 46 L HN 0.191 nan 8.230 nan 0.000 0.432 47 L N -1.028 120.208 121.223 0.020 0.000 2.141 47 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 47 L C 2.573 179.466 176.870 0.038 0.000 1.094 47 L CA 1.040 55.895 54.840 0.026 0.000 0.763 47 L CB -0.332 41.736 42.059 0.014 0.000 0.908 47 L HN 0.352 nan 8.230 nan 0.000 0.437 48 M N -0.413 119.210 119.600 0.037 0.000 2.319 48 M HA -0.142 4.338 4.480 -0.000 0.000 0.265 48 M C 2.196 178.521 176.300 0.042 0.000 1.068 48 M CA 1.514 56.834 55.300 0.033 0.000 1.118 48 M CB 0.041 32.657 32.600 0.026 0.000 1.395 48 M HN 0.102 nan 8.290 nan 0.000 0.435 49 R N -0.744 119.802 120.500 0.077 0.000 2.173 49 R HA 0.139 4.479 4.340 -0.000 0.000 0.208 49 R C 1.404 177.767 176.300 0.105 0.000 1.035 49 R CA 0.895 57.051 56.100 0.093 0.000 1.004 49 R CB 0.280 30.702 30.300 0.203 0.000 0.917 49 R HN 0.642 nan 8.270 nan 0.000 0.462 50 G N 0.201 109.086 108.800 0.142 0.000 2.421 50 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.188 50 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.188 50 G C 0.106 175.108 174.900 0.170 0.000 1.001 50 G CA -0.258 44.920 45.100 0.130 0.000 0.693 50 G HN 0.335 nan 8.290 nan 0.000 0.479 51 c N 3.197 121.939 118.600 0.237 0.000 2.517 51 c HA 0.536 5.106 4.570 -0.000 0.000 0.403 51 c C 1.733 175.818 174.090 -0.010 0.000 1.467 51 c CA 0.291 56.637 56.329 0.027 0.000 1.542 51 c CB -1.373 40.984 42.510 -0.255 0.000 2.482 51 c HN 1.492 nan 8.230 nan 0.000 0.610 52 A N 5.308 128.122 122.820 -0.011 0.000 2.492 52 A HA 0.443 4.763 4.320 -0.000 0.000 0.236 52 A C 1.346 178.916 177.584 -0.024 0.000 1.078 52 A CA 0.582 52.614 52.037 -0.008 0.000 0.773 52 A CB 0.034 19.032 19.000 -0.003 0.000 1.023 52 A HN 1.757 nan 8.150 nan 0.000 0.504 53 A N 0.610 123.423 122.820 -0.011 0.000 1.929 53 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 53 A C 1.412 178.989 177.584 -0.011 0.000 1.176 53 A CA 1.728 53.758 52.037 -0.011 0.000 0.628 53 A CB -0.570 18.428 19.000 -0.003 0.000 0.816 53 A HN 0.904 nan 8.150 nan 0.000 0.444 54 D N -0.662 119.734 120.400 -0.007 0.000 2.363 54 D HA -0.035 4.605 4.640 -0.000 0.000 0.226 54 D C 0.317 176.614 176.300 -0.004 0.000 1.020 54 D CA 0.608 54.606 54.000 -0.003 0.000 0.892 54 D CB -0.241 40.559 40.800 0.001 0.000 0.900 54 D HN 0.291 nan 8.370 nan 0.000 0.531 55 D N -0.050 120.339 120.400 -0.018 0.000 2.369 55 D HA 0.155 4.795 4.640 -0.000 0.000 0.211 55 D C 0.315 176.594 176.300 -0.035 0.000 1.077 55 D CA -0.134 53.849 54.000 -0.029 0.000 0.842 55 D CB 0.703 41.466 40.800 -0.062 0.000 0.947 55 D HN 0.336 nan 8.370 nan 0.000 0.509 56 I N 2.481 123.035 120.570 -0.026 0.000 2.256 56 I HA 0.064 4.234 4.170 -0.000 0.000 0.294 56 I C 0.321 176.461 176.117 0.037 0.000 1.127 56 I CA -0.292 61.000 61.300 -0.013 0.000 1.247 56 I CB 0.324 38.310 38.000 -0.022 0.000 1.460 56 I HN -0.333 nan 8.210 nan 0.000 0.511 57 M N 5.165 124.820 119.600 0.092 0.000 2.268 57 M HA 0.073 4.553 4.480 -0.000 0.000 0.349 57 M C -0.239 176.112 176.300 0.084 0.000 1.485 57 M CA 0.704 56.062 55.300 0.098 0.000 1.094 57 M CB -0.214 32.472 32.600 0.144 0.000 1.843 57 M HN 0.381 nan 8.290 nan 0.000 0.460 58 D N 5.816 126.246 120.400 0.049 0.000 2.337 58 D HA 0.434 5.074 4.640 -0.000 0.000 0.238 58 D C -2.600 173.715 176.300 0.025 0.000 1.331 58 D CA -1.142 52.882 54.000 0.040 0.000 0.967 58 D CB 1.209 42.029 40.800 0.032 0.000 1.382 58 D HN 0.221 nan 8.370 nan 0.000 0.549 59 P HA 0.344 nan 4.420 nan 0.000 0.281 59 P C -0.696 176.616 177.300 0.021 0.000 1.286 59 P CA -0.197 62.914 63.100 0.018 0.000 0.772 59 P CB 1.265 32.976 31.700 0.018 0.000 0.862 60 T N 1.202 115.766 114.554 0.017 0.000 2.912 60 T HA 0.391 4.741 4.350 -0.000 0.000 0.288 60 T C -0.018 174.700 174.700 0.030 0.000 1.030 60 T CA -0.587 61.526 62.100 0.021 0.000 1.020 60 T CB 1.034 69.911 68.868 0.015 0.000 1.056 60 T HN 0.133 nan 8.240 nan 0.000 0.480 61 S N 2.098 117.823 115.700 0.041 0.000 2.548 61 S HA 0.614 5.084 4.470 -0.000 0.000 0.277 61 S C -0.142 174.493 174.600 0.059 0.000 1.315 61 S CA -0.695 57.544 58.200 0.064 0.000 1.050 61 S CB -0.118 63.122 63.200 0.068 0.000 0.918 61 S HN 0.581 nan 8.310 nan 0.000 0.497 62 L N -0.342 120.924 121.223 0.072 0.000 2.669 62 L HA 1.065 5.405 4.340 -0.000 0.000 0.255 62 L C -1.004 175.916 176.870 0.084 0.000 1.123 62 L CA -1.294 53.578 54.840 0.054 0.000 0.941 62 L CB 1.060 43.113 42.059 -0.010 0.000 1.552 62 L HN 0.565 nan 8.230 nan 0.000 0.394 63 A N -0.378 122.477 122.820 0.059 0.000 2.414 63 A HA 0.745 5.065 4.320 -0.000 0.000 0.306 63 A C -1.218 176.379 177.584 0.022 0.000 1.054 63 A CA -0.341 51.731 52.037 0.058 0.000 0.724 63 A CB 1.582 20.645 19.000 0.104 0.000 1.267 63 A HN 0.765 nan 8.150 nan 0.000 0.418 64 E N 1.822 122.033 120.200 0.018 0.000 2.101 64 E HA 0.362 4.712 4.350 -0.000 0.000 0.260 64 E C -0.503 176.084 176.600 -0.022 0.000 0.897 64 E CA -0.364 56.043 56.400 0.011 0.000 0.744 64 E CB 0.591 30.339 29.700 0.080 0.000 1.140 64 E HN 0.624 nan 8.360 nan 0.000 0.419 65 T N 2.029 116.575 114.554 -0.013 0.000 3.364 65 T HA 0.209 4.559 4.350 -0.000 0.000 0.323 65 T C 0.175 174.863 174.700 -0.020 0.000 1.323 65 T CA -0.688 61.404 62.100 -0.012 0.000 1.073 65 T CB 0.364 69.242 68.868 0.017 0.000 1.150 65 T HN 0.407 nan 8.240 nan 0.000 0.727 66 Q N 2.766 122.547 119.800 -0.032 0.000 2.534 66 Q HA 0.137 4.476 4.340 -0.000 0.000 0.223 66 Q C 0.043 176.015 176.000 -0.046 0.000 1.239 66 Q CA -0.031 55.748 55.803 -0.040 0.000 0.936 66 Q CB 0.461 29.175 28.738 -0.040 0.000 1.457 66 Q HN 0.699 nan 8.270 nan 0.000 0.547 67 E N 1.596 121.767 120.200 -0.047 0.000 2.366 67 E HA 0.036 4.386 4.350 -0.000 0.000 0.266 67 E C -0.494 176.050 176.600 -0.094 0.000 1.051 67 E CA -0.354 56.018 56.400 -0.046 0.000 0.884 67 E CB 0.786 30.467 29.700 -0.031 0.000 1.006 67 E HN 0.367 nan 8.360 nan 0.000 0.417 68 D N 0.453 120.811 120.400 -0.069 0.000 2.447 68 D HA 0.094 4.734 4.640 -0.000 0.000 0.265 68 D C 0.771 176.984 176.300 -0.145 0.000 1.250 68 D CA -0.109 53.830 54.000 -0.101 0.000 1.046 68 D CB 0.401 41.219 40.800 0.029 0.000 1.095 68 D HN 0.411 nan 8.370 nan 0.000 0.555 69 H N -0.483 118.593 119.070 0.010 0.000 2.435 69 H HA 0.188 4.744 4.556 -0.000 0.000 0.309 69 H C 0.434 175.769 175.328 0.012 0.000 1.041 69 H CA 0.606 56.660 56.048 0.010 0.000 1.277 69 H CB 0.046 29.813 29.762 0.009 0.000 1.455 69 H HN 0.176 nan 8.280 nan 0.000 0.581 70 N N -2.440 116.368 118.700 0.179 0.000 3.043 70 N HA 0.275 5.014 4.740 -0.000 0.000 0.243 70 N C -0.095 175.464 175.510 0.081 0.000 1.347 70 N CA 0.444 53.552 53.050 0.096 0.000 0.896 70 N CB 1.522 40.049 38.487 0.068 0.000 1.501 70 N HN 0.648 nan 8.380 nan 0.000 0.504 71 G N -0.226 108.614 108.800 0.067 0.000 2.187 71 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.261 71 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.261 71 G C 0.938 175.875 174.900 0.062 0.000 1.000 71 G CA 1.372 46.509 45.100 0.062 0.000 0.718 71 G HN 0.927 nan 8.290 nan 0.000 0.519 72 G N -1.111 107.734 108.800 0.076 0.000 2.424 72 G HA2 0.322 4.282 3.960 -0.000 0.000 0.214 72 G HA3 0.322 4.282 3.960 -0.000 0.000 0.214 72 G C 0.691 175.627 174.900 0.061 0.000 1.202 72 G CA 1.518 46.663 45.100 0.075 0.000 0.793 72 G HN 0.641 nan 8.290 nan 0.000 0.534 73 Q N -2.152 117.685 119.800 0.062 0.000 2.565 73 Q HA 0.415 4.754 4.340 -0.000 0.000 0.294 73 Q C 0.082 176.121 176.000 0.065 0.000 1.005 73 Q CA -0.787 55.053 55.803 0.062 0.000 0.771 73 Q CB 2.112 30.889 28.738 0.064 0.000 1.486 73 Q HN 0.060 nan 8.270 nan 0.000 0.422 74 K N 0.137 120.579 120.400 0.069 0.000 2.157 74 K HA 0.121 4.440 4.320 -0.000 0.000 0.207 74 K C 0.828 177.445 176.600 0.027 0.000 1.030 74 K CA 0.572 56.905 56.287 0.077 0.000 0.965 74 K CB 0.465 33.049 32.500 0.140 0.000 0.877 74 K HN 0.307 nan 8.250 nan 0.000 0.460 75 Q N 0.103 119.898 119.800 -0.009 0.000 2.093 75 Q HA 0.290 4.630 4.340 -0.000 0.000 0.217 75 Q C -0.594 175.407 176.000 0.003 0.000 0.785 75 Q CA 0.072 55.769 55.803 -0.177 0.000 1.038 75 Q CB 1.334 29.745 28.738 -0.546 0.000 1.190 75 Q HN 0.187 nan 8.270 nan 0.000 0.468 76 L N 2.252 123.592 121.223 0.195 0.000 2.283 76 L HA 0.397 4.737 4.340 -0.000 0.000 0.281 76 L C -0.230 176.742 176.870 0.170 0.000 1.033 76 L CA -0.340 54.674 54.840 0.291 0.000 0.848 76 L CB 1.058 43.270 42.059 0.256 0.000 1.226 76 L HN -0.003 nan 8.230 nan 0.000 0.429 77 S N 3.241 119.038 115.700 0.161 0.000 2.599 77 S HA 0.756 5.226 4.470 -0.000 0.000 0.287 77 S C -2.812 171.876 174.600 0.146 0.000 1.105 77 S CA -1.618 56.654 58.200 0.120 0.000 0.899 77 S CB 2.186 65.432 63.200 0.077 0.000 1.100 77 S HN 0.179 nan 8.310 nan 0.000 0.482 78 P HA 0.313 nan 4.420 nan 0.000 0.274 78 P C -0.334 177.008 177.300 0.071 0.000 1.260 78 P CA -0.158 62.991 63.100 0.082 0.000 0.793 78 P CB 0.481 32.221 31.700 0.066 0.000 1.048 79 Q N -1.096 118.725 119.800 0.035 0.000 2.378 79 Q HA 0.169 4.509 4.340 -0.000 0.000 0.216 79 Q C -0.082 175.912 176.000 -0.011 0.000 0.892 79 Q CA 1.014 56.832 55.803 0.026 0.000 0.931 79 Q CB 0.323 29.077 28.738 0.026 0.000 1.086 79 Q HN 0.413 nan 8.270 nan 0.000 0.528 80 K N 0.311 120.689 120.400 -0.036 0.000 2.687 80 K HA 0.419 4.739 4.320 -0.000 0.000 0.249 80 K C -1.560 174.969 176.600 -0.119 0.000 0.994 80 K CA -0.329 55.910 56.287 -0.080 0.000 0.913 80 K CB 2.575 35.038 32.500 -0.063 0.000 1.202 80 K HN -0.232 nan 8.250 nan 0.000 0.460 81 V N 2.611 122.398 119.914 -0.210 0.000 2.311 81 V HA 0.193 4.313 4.120 -0.000 0.000 0.275 81 V C -0.064 175.838 176.094 -0.319 0.000 1.022 81 V CA -0.496 61.610 62.300 -0.322 0.000 0.830 81 V CB 1.277 32.704 31.823 -0.660 0.000 1.012 81 V HN 0.681 nan 8.190 nan 0.000 0.452 82 T N 7.088 121.532 114.554 -0.184 0.000 3.151 82 T HA 0.431 4.781 4.350 -0.000 0.000 0.332 82 T C -0.104 174.568 174.700 -0.047 0.000 1.245 82 T CA -0.341 61.678 62.100 -0.133 0.000 1.019 82 T CB -0.234 68.611 68.868 -0.039 0.000 1.109 82 T HN 0.503 nan 8.240 nan 0.000 0.621 83 L N 0.589 121.728 121.223 -0.139 0.000 2.395 83 L HA 0.594 4.934 4.340 -0.000 0.000 0.269 83 L C -0.829 176.056 176.870 0.025 0.000 1.133 83 L CA -0.708 54.131 54.840 -0.002 0.000 0.812 83 L CB -0.184 41.836 42.059 -0.065 0.000 1.125 83 L HN 0.257 nan 8.230 nan 0.000 0.452 84 Y N 3.823 124.102 120.300 -0.035 0.000 2.587 84 Y HA 0.562 5.112 4.550 -0.000 0.000 0.328 84 Y C -0.424 175.474 175.900 -0.004 0.000 0.980 84 Y CA -0.889 57.199 58.100 -0.020 0.000 1.272 84 Y CB 1.301 39.749 38.460 -0.020 0.000 1.094 84 Y HN 0.565 nan 8.280 nan 0.000 0.503 85 L N 4.928 126.202 121.223 0.085 0.000 2.265 85 L HA 0.520 4.860 4.340 -0.000 0.000 0.289 85 L C -0.083 176.813 176.870 0.043 0.000 1.033 85 L CA -0.790 54.089 54.840 0.066 0.000 0.814 85 L CB 0.753 42.842 42.059 0.050 0.000 1.203 85 L HN 0.579 nan 8.230 nan 0.000 0.423 86 R N 6.362 126.887 120.500 0.043 0.000 2.357 86 R HA 0.495 4.835 4.340 -0.000 0.000 0.296 86 R C -2.364 173.939 176.300 0.006 0.000 1.052 86 R CA -1.655 54.457 56.100 0.020 0.000 0.988 86 R CB 0.869 31.182 30.300 0.022 0.000 1.025 86 R HN 0.448 nan 8.270 nan 0.000 0.469 87 P HA 0.001 nan 4.420 nan 0.000 0.264 87 P C 0.310 177.596 177.300 -0.022 0.000 1.183 87 P CA 1.169 64.254 63.100 -0.025 0.000 0.763 87 P CB 0.788 32.458 31.700 -0.050 0.000 0.807 88 G N 1.496 110.285 108.800 -0.020 0.000 2.304 88 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.252 88 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.252 88 G C 0.211 175.109 174.900 -0.003 0.000 1.014 88 G CA 0.028 45.119 45.100 -0.015 0.000 0.619 88 G HN 0.639 nan 8.290 nan 0.000 0.525 89 Q N 0.715 120.518 119.800 0.004 0.000 2.293 89 Q HA 0.696 5.036 4.340 -0.000 0.000 0.261 89 Q C 0.066 176.079 176.000 0.021 0.000 0.960 89 Q CA -0.040 55.771 55.803 0.014 0.000 0.882 89 Q CB 1.395 30.144 28.738 0.019 0.000 1.275 89 Q HN 0.793 nan 8.270 nan 0.000 0.445 90 A N 2.365 125.198 122.820 0.021 0.000 2.328 90 A HA 0.699 5.019 4.320 -0.000 0.000 0.284 90 A C -0.659 176.955 177.584 0.049 0.000 1.160 90 A CA -0.244 51.808 52.037 0.026 0.000 0.818 90 A CB 0.783 19.788 19.000 0.008 0.000 1.087 90 A HN 0.745 nan 8.150 nan 0.000 0.504 91 A N 1.882 124.751 122.820 0.082 0.000 2.290 91 A HA 0.706 5.026 4.320 -0.000 0.000 0.310 91 A C 0.243 177.926 177.584 0.166 0.000 1.202 91 A CA 0.127 52.245 52.037 0.135 0.000 0.837 91 A CB 0.560 19.666 19.000 0.176 0.000 1.139 91 A HN 2.036 nan 8.150 nan 0.000 0.509 92 A N 2.418 125.327 122.820 0.149 0.000 2.304 92 A HA 0.790 5.110 4.320 -0.000 0.000 0.314 92 A C -0.696 176.996 177.584 0.180 0.000 1.187 92 A CA -0.516 51.562 52.037 0.068 0.000 0.810 92 A CB 0.168 19.178 19.000 0.018 0.000 1.183 92 A HN 1.513 nan 8.150 nan 0.000 0.487 93 F N 0.948 120.918 119.950 0.033 0.000 2.561 93 F HA 0.664 5.191 4.527 -0.000 0.000 0.313 93 F C -0.430 175.411 175.800 0.069 0.000 1.126 93 F CA -1.325 56.701 58.000 0.044 0.000 0.918 93 F CB 1.111 40.134 39.000 0.038 0.000 1.199 93 F HN 0.348 nan 8.300 nan 0.000 0.444 94 N N 1.177 119.965 118.700 0.147 0.000 2.445 94 N HA 0.596 5.336 4.740 -0.000 0.000 0.264 94 N C -1.133 174.488 175.510 0.186 0.000 1.227 94 N CA -0.597 52.517 53.050 0.107 0.000 0.963 94 N CB 1.836 40.374 38.487 0.084 0.000 1.188 94 N HN 0.544 nan 8.380 nan 0.000 0.491 95 V N 0.738 120.770 119.914 0.197 0.000 2.445 95 V HA 0.231 4.350 4.120 -0.000 0.000 0.283 95 V C -0.298 175.940 176.094 0.240 0.000 1.014 95 V CA -0.772 61.684 62.300 0.261 0.000 0.852 95 V CB 1.246 33.282 31.823 0.355 0.000 1.021 95 V HN 0.575 nan 8.190 nan 0.000 0.435 96 T N 5.772 120.436 114.554 0.183 0.000 2.761 96 T HA 0.466 4.816 4.350 -0.000 0.000 0.296 96 T C -0.708 174.128 174.700 0.228 0.000 0.934 96 T CA 0.373 62.559 62.100 0.143 0.000 1.091 96 T CB 0.100 69.014 68.868 0.076 0.000 0.896 96 T HN 0.461 nan 8.240 nan 0.000 0.515 97 F N 4.295 124.275 119.950 0.050 0.000 2.577 97 F HA 0.464 4.991 4.527 -0.000 0.000 0.344 97 F C 0.008 175.820 175.800 0.020 0.000 1.145 97 F CA -1.058 56.977 58.000 0.057 0.000 0.996 97 F CB 0.948 40.027 39.000 0.133 0.000 1.248 97 F HN 0.404 nan 8.300 nan 0.000 0.447 98 R N 6.613 126.838 120.500 -0.458 0.000 2.477 98 R HA 0.369 4.709 4.340 -0.000 0.000 0.285 98 R C -0.103 175.899 176.300 -0.497 0.000 1.415 98 R CA -0.723 55.170 56.100 -0.345 0.000 1.446 98 R CB 0.407 30.606 30.300 -0.170 0.000 1.110 98 R HN 0.848 nan 8.270 nan 0.000 0.590 99 R N 1.588 121.695 120.500 -0.655 0.000 2.705 99 R HA -0.060 4.280 4.340 -0.000 0.000 0.264 99 R C -0.906 175.284 176.300 -0.184 0.000 0.988 99 R CA 1.210 57.084 56.100 -0.378 0.000 1.103 99 R CB 0.474 30.747 30.300 -0.045 0.000 0.950 99 R HN 0.618 nan 8.270 nan 0.000 0.427 100 A N 4.078 126.817 122.820 -0.135 0.000 2.763 100 A HA 0.312 4.632 4.320 -0.000 0.000 0.325 100 A C -0.295 177.152 177.584 -0.227 0.000 1.209 100 A CA -0.628 51.308 52.037 -0.169 0.000 0.764 100 A CB 0.399 19.293 19.000 -0.177 0.000 1.120 100 A HN 1.000 nan 8.150 nan 0.000 0.463 101 K N 0.053 120.370 120.400 -0.138 0.000 1.844 101 K HA -0.238 4.082 4.320 -0.000 0.000 0.160 101 K C 0.662 177.169 176.600 -0.155 0.000 1.448 101 K CA 1.501 57.704 56.287 -0.140 0.000 0.446 101 K CB -1.164 31.235 32.500 -0.168 0.000 0.635 101 K HN 1.339 nan 8.250 nan 0.000 0.848 102 G N 0.151 108.830 108.800 -0.203 0.000 2.626 102 G HA2 0.603 4.563 3.960 -0.000 0.000 0.304 102 G HA3 0.603 4.563 3.960 -0.000 0.000 0.304 102 G C -1.256 173.563 174.900 -0.136 0.000 1.385 102 G CA -0.572 44.462 45.100 -0.110 0.000 0.957 102 G HN 0.304 nan 8.290 nan 0.000 0.504 103 Y N 1.760 122.122 120.300 0.104 0.000 2.289 103 Y HA 0.370 4.920 4.550 -0.000 0.000 0.332 103 Y C -1.605 174.356 175.900 0.102 0.000 1.324 103 Y CA -1.985 56.175 58.100 0.099 0.000 1.478 103 Y CB 0.507 39.043 38.460 0.126 0.000 1.378 103 Y HN 0.313 nan 8.280 nan 0.000 0.558 104 P HA -0.042 nan 4.420 nan 0.000 0.258 104 P C -0.376 177.036 177.300 0.187 0.000 1.172 104 P CA 0.527 63.733 63.100 0.177 0.000 0.762 104 P CB 0.247 32.036 31.700 0.149 0.000 0.764 105 I N 2.665 123.334 120.570 0.165 0.000 2.834 105 I HA 0.311 4.481 4.170 -0.000 0.000 0.305 105 I C -0.039 176.161 176.117 0.139 0.000 1.008 105 I CA -0.042 61.364 61.300 0.178 0.000 1.273 105 I CB 1.053 39.171 38.000 0.197 0.000 1.432 105 I HN 0.188 nan 8.210 nan 0.000 0.557 106 D N 5.691 126.184 120.400 0.156 0.000 2.445 106 D HA 0.293 4.933 4.640 -0.000 0.000 0.236 106 D C -0.962 175.450 176.300 0.188 0.000 1.315 106 D CA -0.275 53.811 54.000 0.143 0.000 0.924 106 D CB 0.648 41.578 40.800 0.216 0.000 1.447 106 D HN 0.316 nan 8.370 nan 0.000 0.532 107 L N 1.774 123.068 121.223 0.118 0.000 2.456 107 L HA 0.459 4.799 4.340 -0.000 0.000 0.257 107 L C -0.564 176.447 176.870 0.235 0.000 1.162 107 L CA -0.673 54.267 54.840 0.166 0.000 0.808 107 L CB 0.918 43.041 42.059 0.107 0.000 1.136 107 L HN 0.330 nan 8.230 nan 0.000 0.466 108 Y N 0.722 121.132 120.300 0.182 0.000 2.358 108 Y HA 0.227 4.777 4.550 -0.000 0.000 0.324 108 Y C -1.277 174.771 175.900 0.248 0.000 1.123 108 Y CA -0.734 57.503 58.100 0.228 0.000 1.067 108 Y CB 1.239 39.884 38.460 0.308 0.000 1.230 108 Y HN 0.343 nan 8.280 nan 0.000 0.429 109 Y N 7.332 127.595 120.300 -0.061 0.000 2.594 109 Y HA 0.429 4.978 4.550 -0.000 0.000 0.342 109 Y C -0.802 175.027 175.900 -0.118 0.000 1.010 109 Y CA -0.475 57.645 58.100 0.033 0.000 1.270 109 Y CB 0.367 38.960 38.460 0.221 0.000 1.125 109 Y HN 0.556 nan 8.280 nan 0.000 0.513 110 L N 7.829 129.045 121.223 -0.011 0.000 2.385 110 L HA 0.261 4.601 4.340 -0.000 0.000 0.285 110 L C -0.064 176.804 176.870 -0.003 0.000 1.125 110 L CA 0.078 55.007 54.840 0.149 0.000 0.890 110 L CB 0.062 42.295 42.059 0.290 0.000 1.251 110 L HN 0.627 nan 8.230 nan 0.000 0.445 111 M N 3.020 122.528 119.600 -0.153 0.000 2.205 111 M HA 0.288 4.768 4.480 -0.000 0.000 0.344 111 M C -0.526 175.299 176.300 -0.793 0.000 1.085 111 M CA -0.631 54.520 55.300 -0.250 0.000 1.001 111 M CB 1.570 34.313 32.600 0.238 0.000 1.626 111 M HN 0.287 nan 8.290 nan 0.000 0.442 112 D N 5.127 124.931 120.400 -0.995 0.000 2.358 112 D HA 0.179 4.819 4.640 -0.000 0.000 0.258 112 D C -1.007 175.044 176.300 -0.416 0.000 1.223 112 D CA 0.137 53.484 54.000 -1.089 0.000 0.886 112 D CB 0.502 40.967 40.800 -0.559 0.000 1.120 112 D HN 0.654 nan 8.370 nan 0.000 0.482 113 L N 4.005 125.048 121.223 -0.300 0.000 2.315 113 L HA 0.278 4.618 4.340 -0.000 0.000 0.278 113 L C 0.011 176.871 176.870 -0.017 0.000 1.088 113 L CA -0.328 54.490 54.840 -0.036 0.000 0.899 113 L CB 0.206 42.391 42.059 0.210 0.000 1.277 113 L HN 0.339 nan 8.230 nan 0.000 0.431 114 S N 0.161 115.862 115.700 0.001 0.000 2.810 114 S HA 0.267 4.737 4.470 -0.000 0.000 0.315 114 S C 0.260 174.917 174.600 0.096 0.000 1.138 114 S CA -0.496 57.740 58.200 0.061 0.000 0.889 114 S CB 1.375 64.612 63.200 0.062 0.000 1.236 114 S HN 0.465 nan 8.310 nan 0.000 0.548 115 Y N 1.771 122.090 120.300 0.032 0.000 2.561 115 Y HA -0.022 4.528 4.550 -0.000 0.000 0.291 115 Y C 2.345 178.263 175.900 0.030 0.000 1.141 115 Y CA 1.321 59.441 58.100 0.032 0.000 1.303 115 Y CB 0.048 38.528 38.460 0.033 0.000 1.015 115 Y HN 0.684 nan 8.280 nan 0.000 0.547 116 S N -1.283 114.508 115.700 0.152 0.000 2.501 116 S HA 0.010 4.480 4.470 -0.000 0.000 0.220 116 S C 1.099 175.720 174.600 0.035 0.000 0.997 116 S CA 0.247 58.507 58.200 0.099 0.000 0.919 116 S CB -0.080 63.184 63.200 0.107 0.000 0.778 116 S HN 0.230 nan 8.310 nan 0.000 0.523 117 M N 1.624 121.230 119.600 0.009 0.000 3.007 117 M HA 0.425 4.905 4.480 -0.000 0.000 0.288 117 M C 0.471 176.743 176.300 -0.046 0.000 1.246 117 M CA -0.118 55.177 55.300 -0.007 0.000 1.040 117 M CB -0.488 32.108 32.600 -0.007 0.000 1.254 117 M HN 0.323 nan 8.290 nan 0.000 0.517 118 L N 0.640 121.803 121.223 -0.100 0.000 2.062 118 L HA -0.133 4.207 4.340 -0.000 0.000 0.202 118 L C 1.966 178.779 176.870 -0.094 0.000 1.079 118 L CA 1.254 56.000 54.840 -0.156 0.000 0.755 118 L CB -0.396 41.481 42.059 -0.304 0.000 0.913 118 L HN 0.368 nan 8.230 nan 0.000 0.445 119 D N -1.067 119.291 120.400 -0.070 0.000 2.350 119 D HA -0.184 4.456 4.640 -0.000 0.000 0.216 119 D C 1.249 177.538 176.300 -0.019 0.000 0.968 119 D CA 0.850 54.826 54.000 -0.040 0.000 0.894 119 D CB -0.406 40.381 40.800 -0.023 0.000 0.909 119 D HN 0.255 nan 8.370 nan 0.000 0.520 120 D N 0.259 120.653 120.400 -0.010 0.000 2.120 120 D HA -0.026 4.613 4.640 -0.000 0.000 0.202 120 D C 1.992 178.295 176.300 0.005 0.000 0.972 120 D CA 0.375 54.385 54.000 0.016 0.000 0.837 120 D CB -0.308 40.514 40.800 0.038 0.000 0.989 120 D HN 0.191 nan 8.370 nan 0.000 0.469 121 L N 0.389 121.602 121.223 -0.017 0.000 2.201 121 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 121 L C 2.319 179.150 176.870 -0.064 0.000 1.105 121 L CA 0.972 55.788 54.840 -0.040 0.000 0.775 121 L CB 0.090 42.119 42.059 -0.049 0.000 0.913 121 L HN -0.055 nan 8.230 nan 0.000 0.440 122 R N -0.075 120.391 120.500 -0.055 0.000 2.062 122 R HA -0.092 4.248 4.340 -0.000 0.000 0.226 122 R C 1.379 177.650 176.300 -0.048 0.000 1.125 122 R CA 1.697 57.763 56.100 -0.057 0.000 0.966 122 R CB -0.170 30.100 30.300 -0.051 0.000 0.861 122 R HN 0.402 nan 8.270 nan 0.000 0.433 123 N N -0.587 118.094 118.700 -0.032 0.000 2.434 123 N HA 0.019 4.759 4.740 -0.000 0.000 0.196 123 N C -0.032 175.462 175.510 -0.027 0.000 1.183 123 N CA -0.087 52.950 53.050 -0.022 0.000 0.849 123 N CB 1.049 39.534 38.487 -0.004 0.000 0.992 123 N HN 0.035 nan 8.380 nan 0.000 0.460 124 V N -0.260 119.624 119.914 -0.050 0.000 3.283 124 V HA -0.069 4.051 4.120 -0.000 0.000 0.265 124 V C 1.656 177.664 176.094 -0.144 0.000 1.672 124 V CA -0.105 62.147 62.300 -0.081 0.000 1.020 124 V CB 0.341 32.134 31.823 -0.051 0.000 0.854 124 V HN 0.246 nan 8.190 nan 0.000 0.408 125 K N 1.825 122.143 120.400 -0.137 0.000 2.173 125 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 125 K C 0.653 177.128 176.600 -0.207 0.000 1.046 125 K CA 1.567 57.740 56.287 -0.190 0.000 0.929 125 K CB -0.084 32.323 32.500 -0.155 0.000 0.720 125 K HN 0.367 nan 8.250 nan 0.000 0.453 126 K N 0.555 120.867 120.400 -0.147 0.000 3.306 126 K HA 0.192 4.512 4.320 -0.000 0.000 0.169 126 K C -1.589 174.963 176.600 -0.081 0.000 1.110 126 K CA -0.318 55.897 56.287 -0.120 0.000 0.783 126 K CB 0.991 33.427 32.500 -0.107 0.000 0.958 126 K HN -0.034 nan 8.250 nan 0.000 0.581 127 L N 0.527 121.701 121.223 -0.082 0.000 2.506 127 L HA 0.458 4.798 4.340 -0.000 0.000 0.247 127 L C 0.414 177.257 176.870 -0.045 0.000 1.141 127 L CA 0.202 55.010 54.840 -0.053 0.000 0.973 127 L CB 0.812 42.845 42.059 -0.043 0.000 1.319 127 L HN 0.406 nan 8.230 nan 0.000 0.455 128 G N 0.526 109.309 108.800 -0.029 0.000 3.146 128 G HA2 0.130 4.090 3.960 -0.000 0.000 0.238 128 G HA3 0.130 4.090 3.960 -0.000 0.000 0.238 128 G C 0.957 175.842 174.900 -0.026 0.000 1.022 128 G CA 0.389 45.476 45.100 -0.022 0.000 0.880 128 G HN 0.627 nan 8.290 nan 0.000 0.533 129 G N 1.466 110.254 108.800 -0.020 0.000 2.572 129 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.216 129 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.216 129 G C 1.253 176.144 174.900 -0.015 0.000 1.133 129 G CA 1.315 46.404 45.100 -0.019 0.000 0.791 129 G HN 0.449 nan 8.290 nan 0.000 0.538 130 D N 0.124 120.517 120.400 -0.011 0.000 2.360 130 D HA 0.053 4.693 4.640 -0.000 0.000 0.210 130 D C 2.111 178.413 176.300 0.004 0.000 1.047 130 D CA -0.160 53.839 54.000 -0.002 0.000 0.854 130 D CB -0.226 40.575 40.800 0.002 0.000 0.936 130 D HN 0.351 nan 8.370 nan 0.000 0.514 131 L N -0.411 120.809 121.223 -0.005 0.000 2.102 131 L HA -0.001 4.339 4.340 -0.000 0.000 0.202 131 L C 2.134 179.003 176.870 -0.002 0.000 1.076 131 L CA 0.414 55.255 54.840 0.002 0.000 0.761 131 L CB -0.258 41.790 42.059 -0.019 0.000 0.921 131 L HN -0.017 nan 8.230 nan 0.000 0.444 132 L N -0.224 120.986 121.223 -0.023 0.000 2.201 132 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 132 L C 2.633 179.498 176.870 -0.008 0.000 1.105 132 L CA 1.436 56.263 54.840 -0.021 0.000 0.775 132 L CB -0.677 41.362 42.059 -0.034 0.000 0.913 132 L HN 0.158 nan 8.230 nan 0.000 0.440 133 R N -0.348 120.149 120.500 -0.005 0.000 2.115 133 R HA -0.065 4.275 4.340 -0.000 0.000 0.226 133 R C 2.031 178.335 176.300 0.005 0.000 1.100 133 R CA 1.128 57.227 56.100 -0.002 0.000 0.980 133 R CB -0.088 30.211 30.300 -0.002 0.000 0.875 133 R HN 0.325 nan 8.270 nan 0.000 0.445 134 A N 0.404 123.233 122.820 0.016 0.000 2.169 134 A HA -0.009 4.311 4.320 -0.000 0.000 0.212 134 A C 1.695 179.300 177.584 0.034 0.000 1.153 134 A CA 0.358 52.412 52.037 0.030 0.000 0.756 134 A CB -0.027 19.002 19.000 0.049 0.000 0.813 134 A HN 0.364 nan 8.150 nan 0.000 0.471 135 L N -0.748 120.491 121.223 0.026 0.000 2.513 135 L HA 0.189 4.529 4.340 -0.000 0.000 0.222 135 L C 1.580 178.449 176.870 -0.001 0.000 1.096 135 L CA 1.385 56.242 54.840 0.028 0.000 0.857 135 L CB -0.532 41.547 42.059 0.032 0.000 1.026 135 L HN 0.316 nan 8.230 nan 0.000 0.469 136 N N 0.426 119.123 118.700 -0.007 0.000 2.120 136 N HA -0.221 4.519 4.740 -0.000 0.000 0.188 136 N C 1.530 177.024 175.510 -0.026 0.000 1.024 136 N CA 1.826 54.868 53.050 -0.014 0.000 0.852 136 N CB 0.127 38.607 38.487 -0.012 0.000 1.003 136 N HN 0.482 nan 8.380 nan 0.000 0.424 137 E N 0.315 120.495 120.200 -0.033 0.000 2.000 137 E HA -0.133 4.217 4.350 -0.000 0.000 0.199 137 E C 2.015 178.574 176.600 -0.068 0.000 1.011 137 E CA 1.463 57.836 56.400 -0.046 0.000 0.836 137 E CB -0.301 29.372 29.700 -0.046 0.000 0.778 137 E HN 0.306 nan 8.360 nan 0.000 0.462 138 I N 0.521 121.028 120.570 -0.106 0.000 2.130 138 I HA -0.055 4.115 4.170 -0.000 0.000 0.234 138 I C 1.126 177.176 176.117 -0.112 0.000 1.067 138 I CA 1.020 62.231 61.300 -0.149 0.000 1.339 138 I CB -1.737 36.088 38.000 -0.291 0.000 1.073 138 I HN 0.051 nan 8.210 nan 0.000 0.405 139 T N 2.023 116.522 114.554 -0.091 0.000 2.874 139 T HA 0.282 4.632 4.350 -0.000 0.000 0.281 139 T C 0.716 175.407 174.700 -0.014 0.000 0.994 139 T CA -0.618 61.464 62.100 -0.031 0.000 1.015 139 T CB 1.847 70.731 68.868 0.028 0.000 1.028 139 T HN 0.369 nan 8.240 nan 0.000 0.523 140 E N 0.406 120.607 120.200 0.002 0.000 3.497 140 E HA 0.257 4.607 4.350 -0.000 0.000 0.384 140 E C 0.112 176.719 176.600 0.012 0.000 0.451 140 E CA -0.698 55.703 56.400 0.002 0.000 2.217 140 E CB -0.191 29.510 29.700 0.002 0.000 2.185 140 E HN 0.494 nan 8.360 nan 0.000 0.461 141 S N 0.785 116.494 115.700 0.014 0.000 2.670 141 S HA 0.296 4.766 4.470 -0.000 0.000 0.328 141 S C 0.425 175.039 174.600 0.023 0.000 1.179 141 S CA -0.474 57.734 58.200 0.013 0.000 1.194 141 S CB -0.218 62.990 63.200 0.012 0.000 1.359 141 S HN 0.578 nan 8.310 nan 0.000 0.555 142 G N 2.551 111.363 108.800 0.019 0.000 2.574 142 G HA2 0.647 4.607 3.960 -0.000 0.000 0.248 142 G HA3 0.647 4.607 3.960 -0.000 0.000 0.248 142 G C -0.196 174.702 174.900 -0.003 0.000 1.422 142 G CA -0.990 44.127 45.100 0.029 0.000 1.051 142 G HN 0.594 nan 8.290 nan 0.000 0.560 143 R N -1.528 118.962 120.500 -0.016 0.000 2.771 143 R HA 0.583 4.923 4.340 -0.000 0.000 0.274 143 R C -1.709 174.511 176.300 -0.132 0.000 0.987 143 R CA -0.700 55.359 56.100 -0.069 0.000 0.908 143 R CB 1.781 32.048 30.300 -0.054 0.000 1.213 143 R HN 0.342 nan 8.270 nan 0.000 0.468 144 I N 0.122 120.544 120.570 -0.247 0.000 2.534 144 I HA 0.546 4.716 4.170 -0.000 0.000 0.288 144 I C 0.199 176.020 176.117 -0.495 0.000 1.077 144 I CA -0.258 60.761 61.300 -0.468 0.000 1.051 144 I CB 2.358 39.873 38.000 -0.809 0.000 1.234 144 I HN 0.710 nan 8.210 nan 0.000 0.425 145 G N 4.215 112.871 108.800 -0.240 0.000 2.605 145 G HA2 0.771 4.730 3.960 -0.000 0.000 0.296 145 G HA3 0.771 4.730 3.960 -0.000 0.000 0.296 145 G C -2.076 172.844 174.900 0.033 0.000 1.304 145 G CA -0.589 44.555 45.100 0.074 0.000 0.941 145 G HN 0.321 nan 8.290 nan 0.000 0.475 146 F N 0.171 119.916 119.950 -0.342 0.000 2.588 146 F HA 0.761 5.288 4.527 -0.000 0.000 0.310 146 F C -0.039 175.365 175.800 -0.661 0.000 1.082 146 F CA -0.512 57.179 58.000 -0.516 0.000 0.929 146 F CB 2.568 41.366 39.000 -0.336 0.000 1.254 146 F HN 0.803 nan 8.300 nan 0.000 0.455 147 G N 2.731 110.824 108.800 -1.179 0.000 2.741 147 G HA2 0.470 4.430 3.960 -0.000 0.000 0.293 147 G HA3 0.470 4.430 3.960 -0.000 0.000 0.293 147 G C -1.878 172.740 174.900 -0.471 0.000 1.457 147 G CA -0.669 44.236 45.100 -0.324 0.000 1.098 147 G HN 0.765 nan 8.290 nan 0.000 0.536 148 S N 0.613 116.188 115.700 -0.209 0.000 2.687 148 S HA 0.933 5.403 4.470 -0.000 0.000 0.283 148 S C -0.704 174.144 174.600 0.412 0.000 1.170 148 S CA -0.605 57.638 58.200 0.070 0.000 1.008 148 S CB 0.699 64.083 63.200 0.306 0.000 1.026 148 S HN 1.408 nan 8.310 nan 0.000 0.541 149 F N 0.662 120.744 119.950 0.219 0.000 2.708 149 F HA 0.658 5.185 4.527 -0.000 0.000 0.309 149 F C -0.833 174.844 175.800 -0.205 0.000 1.120 149 F CA -0.959 57.074 58.000 0.055 0.000 0.978 149 F CB 0.290 39.377 39.000 0.145 0.000 1.283 149 F HN 0.318 nan 8.300 nan 0.000 0.439 150 V N -0.401 119.386 119.914 -0.211 0.000 4.197 150 V HA 0.507 4.627 4.120 -0.000 0.000 0.176 150 V C -1.008 175.106 176.094 0.034 0.000 1.208 150 V CA 0.658 62.815 62.300 -0.238 0.000 1.306 150 V CB 0.660 32.133 31.823 -0.582 0.000 1.585 150 V HN 0.898 nan 8.190 nan 0.000 0.552 151 D N -1.087 119.278 120.400 -0.060 0.000 2.798 151 D HA 0.193 4.833 4.640 -0.000 0.000 0.265 151 D C -1.175 175.083 176.300 -0.069 0.000 1.223 151 D CA -0.604 53.407 54.000 0.019 0.000 0.743 151 D CB 1.679 42.554 40.800 0.125 0.000 1.276 151 D HN 0.152 nan 8.370 nan 0.000 0.421 152 K N 0.183 120.491 120.400 -0.153 0.000 2.559 152 K HA 0.016 4.336 4.320 -0.000 0.000 0.279 152 K C 0.766 177.375 176.600 0.014 0.000 0.967 152 K CA 0.714 56.892 56.287 -0.182 0.000 1.000 152 K CB 0.442 32.675 32.500 -0.445 0.000 0.890 152 K HN 0.387 nan 8.250 nan 0.000 0.501 153 T N 1.710 116.333 114.554 0.114 0.000 2.737 153 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 153 T C 0.852 175.616 174.700 0.107 0.000 1.038 153 T CA 0.709 62.901 62.100 0.154 0.000 1.144 153 T CB 0.002 68.985 68.868 0.191 0.000 0.866 153 T HN 0.447 nan 8.240 nan 0.000 0.434 154 V N 3.470 123.443 119.914 0.099 0.000 2.834 154 V HA 0.403 4.523 4.120 -0.000 0.000 0.301 154 V C 0.085 176.286 176.094 0.178 0.000 1.066 154 V CA -1.221 61.142 62.300 0.106 0.000 1.052 154 V CB 0.290 32.170 31.823 0.095 0.000 1.021 154 V HN 0.373 nan 8.190 nan 0.000 0.480 155 L N 4.569 125.885 121.223 0.156 0.000 2.473 155 L HA 0.424 4.764 4.340 -0.000 0.000 0.265 155 L C -1.942 175.072 176.870 0.240 0.000 1.243 155 L CA -0.787 54.155 54.840 0.170 0.000 0.822 155 L CB -1.237 40.877 42.059 0.091 0.000 1.101 155 L HN 0.394 nan 8.230 nan 0.000 0.507 156 P HA 0.142 nan 4.420 nan 0.000 0.255 156 P C 0.315 177.527 177.300 -0.145 0.000 1.427 156 P CA 0.494 63.569 63.100 -0.041 0.000 0.863 156 P CB -0.221 31.390 31.700 -0.148 0.000 1.444 157 F N -0.723 119.207 119.950 -0.033 0.000 2.743 157 F HA 0.189 4.716 4.527 -0.000 0.000 0.297 157 F C 1.146 176.934 175.800 -0.021 0.000 1.131 157 F CA 0.300 58.264 58.000 -0.059 0.000 1.426 157 F CB 0.461 39.418 39.000 -0.073 0.000 1.116 157 F HN -0.189 nan 8.300 nan 0.000 0.583 158 V N 0.548 120.552 119.914 0.150 0.000 2.901 158 V HA 0.160 4.280 4.120 -0.000 0.000 0.257 158 V C -1.560 174.578 176.094 0.073 0.000 1.709 158 V CA -1.550 60.805 62.300 0.092 0.000 0.926 158 V CB 0.744 32.626 31.823 0.098 0.000 1.291 158 V HN 0.294 nan 8.190 nan 0.000 0.460 159 N N 3.704 122.434 118.700 0.051 0.000 2.293 159 N HA 0.105 4.845 4.740 -0.000 0.000 0.253 159 N C 0.743 176.274 175.510 0.035 0.000 1.248 159 N CA 0.814 53.892 53.050 0.046 0.000 0.845 159 N CB 0.994 39.506 38.487 0.042 0.000 1.073 159 N HN 0.919 nan 8.380 nan 0.000 0.464 160 T N -2.592 111.977 114.554 0.025 0.000 3.000 160 T HA 0.170 4.520 4.350 -0.000 0.000 0.248 160 T C 0.005 174.545 174.700 -0.267 0.000 1.034 160 T CA 0.402 62.463 62.100 -0.064 0.000 1.060 160 T CB -0.306 68.548 68.868 -0.023 0.000 0.983 160 T HN 0.651 nan 8.240 nan 0.000 0.482 161 H N 0.739 119.834 119.070 0.043 0.000 2.949 161 H HA 0.654 5.210 4.556 -0.000 0.000 0.310 161 H C -2.498 172.848 175.328 0.031 0.000 1.405 161 H CA -1.685 54.384 56.048 0.036 0.000 1.253 161 H CB 1.130 30.910 29.762 0.030 0.000 1.932 161 H HN 0.021 nan 8.280 nan 0.000 0.602 162 P HA 0.147 nan 4.420 nan 0.000 0.336 162 P C -0.229 177.137 177.300 0.110 0.000 1.288 162 P CA -0.399 62.814 63.100 0.189 0.000 0.766 162 P CB 0.922 32.694 31.700 0.121 0.000 1.461 163 D N -0.825 119.630 120.400 0.093 0.000 2.420 163 D HA -0.117 4.522 4.640 -0.000 0.000 0.233 163 D C 1.493 177.824 176.300 0.052 0.000 1.017 163 D CA 0.702 54.745 54.000 0.070 0.000 0.951 163 D CB -0.479 40.357 40.800 0.061 0.000 0.877 163 D HN 0.406 nan 8.370 nan 0.000 0.528 164 K N 0.426 120.856 120.400 0.050 0.000 2.286 164 K HA -0.177 4.142 4.320 -0.000 0.000 0.203 164 K C 1.792 178.419 176.600 0.046 0.000 1.045 164 K CA 0.600 56.912 56.287 0.042 0.000 0.935 164 K CB -0.067 32.455 32.500 0.037 0.000 0.737 164 K HN 0.106 nan 8.250 nan 0.000 0.460 165 L N 0.944 122.195 121.223 0.047 0.000 2.156 165 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 165 L C 1.802 178.699 176.870 0.045 0.000 1.095 165 L CA 1.449 56.311 54.840 0.036 0.000 0.770 165 L CB -0.143 41.915 42.059 -0.002 0.000 0.914 165 L HN 0.065 nan 8.230 nan 0.000 0.439 166 R N -0.594 119.934 120.500 0.047 0.000 2.193 166 R HA 0.050 4.390 4.340 -0.000 0.000 0.213 166 R C 0.209 176.538 176.300 0.048 0.000 1.055 166 R CA 0.675 56.802 56.100 0.046 0.000 0.995 166 R CB -0.145 30.180 30.300 0.042 0.000 0.893 166 R HN 0.274 nan 8.270 nan 0.000 0.459 167 N N -0.196 118.533 118.700 0.049 0.000 2.716 167 N HA 0.151 4.891 4.740 -0.000 0.000 0.245 167 N C -2.476 173.063 175.510 0.049 0.000 1.495 167 N CA -1.780 51.300 53.050 0.049 0.000 0.759 167 N CB 1.339 39.850 38.487 0.040 0.000 1.261 167 N HN -0.217 nan 8.380 nan 0.000 0.515 168 P HA 0.086 nan 4.420 nan 0.000 0.223 168 P C 0.137 177.462 177.300 0.042 0.000 1.151 168 P CA 0.351 63.484 63.100 0.056 0.000 0.787 168 P CB 0.153 31.901 31.700 0.081 0.000 0.788 169 c N 2.383 121.024 118.600 0.068 0.000 2.517 169 c HA 0.040 4.610 4.570 -0.000 0.000 0.403 169 c C -1.891 172.179 174.090 -0.032 0.000 1.467 169 c CA -0.523 55.853 56.329 0.079 0.000 1.542 169 c CB -0.989 41.604 42.510 0.139 0.000 2.482 169 c HN 0.225 nan 8.230 nan 0.000 0.610 170 P HA 0.170 nan 4.420 nan 0.000 0.273 170 P C 0.484 177.649 177.300 -0.225 0.000 1.319 170 P CA 0.892 63.823 63.100 -0.282 0.000 0.885 170 P CB 0.350 31.750 31.700 -0.500 0.000 1.015 171 N N 3.271 121.916 118.700 -0.091 0.000 2.825 171 N HA -0.222 4.518 4.740 -0.000 0.000 0.206 171 N C 0.748 176.264 175.510 0.010 0.000 1.057 171 N CA 2.246 55.272 53.050 -0.041 0.000 1.343 171 N CB -1.221 37.234 38.487 -0.055 0.000 0.942 171 N HN 0.286 nan 8.380 nan 0.000 0.562 172 K N 0.447 120.876 120.400 0.048 0.000 2.168 172 K HA 0.163 4.483 4.320 -0.000 0.000 0.201 172 K C -0.268 176.382 176.600 0.083 0.000 1.049 172 K CA 0.628 56.973 56.287 0.097 0.000 0.974 172 K CB 0.124 32.738 32.500 0.190 0.000 0.792 172 K HN 0.365 nan 8.250 nan 0.000 0.463 173 E N 1.416 121.672 120.200 0.093 0.000 2.210 173 E HA -0.204 4.146 4.350 -0.000 0.000 0.201 173 E C -0.500 176.140 176.600 0.066 0.000 1.339 173 E CA 0.528 56.972 56.400 0.073 0.000 0.699 173 E CB -1.209 28.517 29.700 0.045 0.000 1.126 173 E HN 0.417 nan 8.360 nan 0.000 0.355 174 K N 0.724 121.172 120.400 0.081 0.000 3.100 174 K HA 0.167 4.487 4.320 -0.000 0.000 0.256 174 K C 0.110 176.732 176.600 0.037 0.000 1.146 174 K CA -0.022 56.295 56.287 0.050 0.000 1.233 174 K CB 0.440 32.966 32.500 0.044 0.000 1.226 174 K HN 0.133 nan 8.250 nan 0.000 0.442 175 E N 0.129 120.353 120.200 0.039 0.000 2.340 175 E HA -0.209 4.141 4.350 -0.000 0.000 0.240 175 E C -0.326 176.293 176.600 0.031 0.000 1.154 175 E CA 0.571 56.988 56.400 0.028 0.000 0.717 175 E CB -2.365 27.342 29.700 0.012 0.000 1.250 175 E HN 0.752 nan 8.360 nan 0.000 0.386 176 c N 0.091 118.724 118.600 0.056 0.000 2.700 176 c HA 0.497 5.067 4.570 -0.000 0.000 0.397 176 c C 1.229 175.356 174.090 0.062 0.000 1.301 176 c CA -0.058 56.311 56.329 0.067 0.000 2.219 176 c CB 0.498 43.076 42.510 0.115 0.000 2.699 176 c HN 0.573 nan 8.230 nan 0.000 0.669 177 Q N 1.922 121.757 119.800 0.059 0.000 2.417 177 Q HA 0.484 4.824 4.340 -0.000 0.000 0.241 177 Q C -2.538 173.526 176.000 0.107 0.000 1.008 177 Q CA -1.149 54.676 55.803 0.038 0.000 0.901 177 Q CB -0.328 28.381 28.738 -0.048 0.000 1.259 177 Q HN 0.556 nan 8.270 nan 0.000 0.489 178 P HA 0.099 nan 4.420 nan 0.000 0.266 178 P C -2.438 175.025 177.300 0.272 0.000 1.195 178 P CA -0.910 62.270 63.100 0.134 0.000 0.768 178 P CB -0.337 31.413 31.700 0.084 0.000 0.838 179 P HA -0.001 nan 4.420 nan 0.000 0.261 179 P C -0.664 176.873 177.300 0.396 0.000 1.183 179 P CA 0.826 64.090 63.100 0.273 0.000 0.761 179 P CB -0.136 31.655 31.700 0.152 0.000 0.785 180 F N 1.197 121.262 119.950 0.192 0.000 3.117 180 F HA 0.891 5.418 4.527 -0.000 0.000 0.345 180 F C 0.540 176.497 175.800 0.261 0.000 1.278 180 F CA -0.785 57.419 58.000 0.340 0.000 1.035 180 F CB 0.376 39.565 39.000 0.315 0.000 1.531 180 F HN 0.190 nan 8.300 nan 0.000 0.515 181 A N -0.766 122.116 122.820 0.103 0.000 1.792 181 A HA 0.441 4.761 4.320 -0.000 0.000 0.189 181 A C -0.962 176.634 177.584 0.020 0.000 1.926 181 A CA 0.265 52.087 52.037 -0.358 0.000 1.493 181 A CB 0.222 18.663 19.000 -0.931 0.000 1.554 181 A HN 0.889 nan 8.150 nan 0.000 0.340 182 F N 0.652 120.672 119.950 0.117 0.000 2.839 182 F HA 0.611 5.138 4.527 -0.000 0.000 0.344 182 F C -0.908 175.196 175.800 0.506 0.000 1.242 182 F CA -0.424 57.772 58.000 0.326 0.000 1.091 182 F CB 1.174 40.242 39.000 0.114 0.000 1.374 182 F HN 0.076 nan 8.300 nan 0.000 0.553 183 R N 4.139 124.590 120.500 -0.082 0.000 2.371 183 R HA 0.259 4.599 4.340 -0.000 0.000 0.312 183 R C -1.263 174.826 176.300 -0.351 0.000 0.980 183 R CA -0.874 55.115 56.100 -0.184 0.000 0.867 183 R CB 0.507 30.708 30.300 -0.165 0.000 1.163 183 R HN 0.779 nan 8.270 nan 0.000 0.492 184 H N 4.153 122.938 119.070 -0.474 0.000 3.291 184 H HA 0.057 4.613 4.556 -0.000 0.000 0.256 184 H C 0.667 175.960 175.328 -0.059 0.000 1.315 184 H CA 0.067 55.980 56.048 -0.224 0.000 1.521 184 H CB 0.344 30.074 29.762 -0.054 0.000 1.621 184 H HN 0.416 nan 8.280 nan 0.000 0.498 185 V N 4.601 124.377 119.914 -0.229 0.000 2.346 185 V HA -0.065 4.055 4.120 -0.000 0.000 0.244 185 V C 0.901 176.834 176.094 -0.269 0.000 1.037 185 V CA 1.020 63.216 62.300 -0.173 0.000 1.029 185 V CB -0.198 31.591 31.823 -0.057 0.000 0.663 185 V HN 0.537 nan 8.190 nan 0.000 0.454 186 L N 0.173 121.169 121.223 -0.378 0.000 2.385 186 L HA 0.451 4.791 4.340 -0.000 0.000 0.273 186 L C -0.275 176.452 176.870 -0.239 0.000 0.990 186 L CA -0.278 54.405 54.840 -0.262 0.000 0.821 186 L CB 2.240 44.125 42.059 -0.290 0.000 1.279 186 L HN 0.025 nan 8.230 nan 0.000 0.412 187 K N 2.548 122.960 120.400 0.020 0.000 2.090 187 K HA 0.514 4.834 4.320 -0.000 0.000 0.250 187 K C -0.543 176.135 176.600 0.130 0.000 1.004 187 K CA -0.706 55.715 56.287 0.223 0.000 0.919 187 K CB 0.891 33.538 32.500 0.245 0.000 1.045 187 K HN 0.499 nan 8.250 nan 0.000 0.471 188 L N 3.562 124.811 121.223 0.044 0.000 2.654 188 L HA 0.058 4.398 4.340 -0.000 0.000 0.271 188 L C 0.220 177.077 176.870 -0.021 0.000 1.169 188 L CA 0.092 54.898 54.840 -0.056 0.000 0.947 188 L CB -0.471 41.473 42.059 -0.191 0.000 1.232 188 L HN 0.771 nan 8.230 nan 0.000 0.486 189 T N -1.639 112.900 114.554 -0.025 0.000 2.906 189 T HA 0.359 4.709 4.350 -0.000 0.000 0.295 189 T C 0.646 175.320 174.700 -0.044 0.000 1.075 189 T CA -0.984 61.111 62.100 -0.008 0.000 1.005 189 T CB 1.896 70.790 68.868 0.043 0.000 1.136 189 T HN 0.296 nan 8.240 nan 0.000 0.498 190 N N 1.473 120.159 118.700 -0.023 0.000 2.135 190 N HA -0.025 4.715 4.740 -0.000 0.000 0.186 190 N C 0.665 176.154 175.510 -0.035 0.000 1.027 190 N CA 0.910 53.942 53.050 -0.030 0.000 0.849 190 N CB -0.826 37.654 38.487 -0.012 0.000 1.002 190 N HN 0.852 nan 8.380 nan 0.000 0.425 191 N N 0.601 119.293 118.700 -0.014 0.000 2.305 191 N HA -0.059 4.681 4.740 -0.000 0.000 0.232 191 N C 0.771 176.273 175.510 -0.013 0.000 1.274 191 N CA 0.588 53.635 53.050 -0.005 0.000 0.870 191 N CB 0.372 38.867 38.487 0.014 0.000 1.105 191 N HN 0.163 nan 8.380 nan 0.000 0.436 192 S N -0.954 114.744 115.700 -0.004 0.000 2.741 192 S HA -0.020 4.450 4.470 -0.000 0.000 0.245 192 S C 1.225 175.854 174.600 0.048 0.000 1.083 192 S CA -0.003 58.194 58.200 -0.004 0.000 0.873 192 S CB -0.464 62.716 63.200 -0.034 0.000 0.814 192 S HN 0.697 nan 8.310 nan 0.000 0.476 193 N N 2.159 120.872 118.700 0.022 0.000 2.270 193 N HA -0.114 4.626 4.740 -0.000 0.000 0.181 193 N C 1.723 177.237 175.510 0.007 0.000 1.016 193 N CA 1.558 54.613 53.050 0.008 0.000 0.870 193 N CB -0.722 37.760 38.487 -0.008 0.000 0.979 193 N HN 0.488 nan 8.380 nan 0.000 0.431 194 Q N 0.073 119.885 119.800 0.021 0.000 2.167 194 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 194 Q C 1.675 177.676 176.000 0.002 0.000 0.970 194 Q CA 0.925 56.730 55.803 0.003 0.000 0.855 194 Q CB -0.580 28.166 28.738 0.013 0.000 0.911 194 Q HN 0.414 nan 8.270 nan 0.000 0.438 195 F N 0.495 120.382 119.950 -0.105 0.000 2.113 195 F HA -0.122 4.405 4.527 -0.000 0.000 0.297 195 F C 1.991 177.678 175.800 -0.188 0.000 1.103 195 F CA 1.705 59.623 58.000 -0.137 0.000 1.248 195 F CB -0.082 38.846 39.000 -0.120 0.000 0.999 195 F HN 0.147 nan 8.300 nan 0.000 0.475 196 Q N -0.581 119.210 119.800 -0.014 0.000 2.050 196 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 196 Q C 2.192 178.056 176.000 -0.227 0.000 0.980 196 Q CA 2.469 58.191 55.803 -0.135 0.000 0.840 196 Q CB -0.702 28.000 28.738 -0.059 0.000 0.898 196 Q HN 0.545 nan 8.270 nan 0.000 0.424 197 T N -1.104 113.350 114.554 -0.167 0.000 2.962 197 T HA -0.067 4.283 4.350 -0.000 0.000 0.270 197 T C 1.540 176.114 174.700 -0.210 0.000 1.088 197 T CA 0.764 62.767 62.100 -0.161 0.000 1.127 197 T CB 0.045 68.849 68.868 -0.108 0.000 0.883 197 T HN 0.074 nan 8.240 nan 0.000 0.493 198 E N 0.506 120.543 120.200 -0.273 0.000 2.481 198 E HA 0.113 4.463 4.350 -0.000 0.000 0.195 198 E C 2.022 178.374 176.600 -0.414 0.000 1.047 198 E CA 0.172 56.388 56.400 -0.306 0.000 0.867 198 E CB 0.220 29.733 29.700 -0.310 0.000 0.858 198 E HN 0.453 nan 8.360 nan 0.000 0.513 199 V N -0.173 119.433 119.914 -0.513 0.000 2.403 199 V HA -0.023 4.097 4.120 -0.000 0.000 0.239 199 V C 2.346 178.190 176.094 -0.416 0.000 1.041 199 V CA 1.575 63.490 62.300 -0.642 0.000 1.051 199 V CB -0.760 30.549 31.823 -0.856 0.000 0.704 199 V HN 0.273 nan 8.190 nan 0.000 0.472 200 G N 0.429 109.038 108.800 -0.319 0.000 2.507 200 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.221 200 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.221 200 G C 1.539 176.330 174.900 -0.182 0.000 1.119 200 G CA 1.573 46.542 45.100 -0.218 0.000 0.751 200 G HN 0.523 nan 8.290 nan 0.000 0.574 201 K N 0.373 120.658 120.400 -0.191 0.000 2.001 201 K HA -0.199 4.121 4.320 -0.000 0.000 0.223 201 K C 1.079 177.595 176.600 -0.140 0.000 1.055 201 K CA 1.251 57.446 56.287 -0.154 0.000 0.965 201 K CB -0.339 32.062 32.500 -0.164 0.000 0.730 201 K HN 0.419 nan 8.250 nan 0.000 0.449 202 Q N 1.088 120.790 119.800 -0.163 0.000 2.337 202 Q HA 0.164 4.504 4.340 -0.000 0.000 0.270 202 Q C -0.239 175.701 176.000 -0.100 0.000 1.002 202 Q CA -0.161 55.561 55.803 -0.136 0.000 0.888 202 Q CB 0.937 29.581 28.738 -0.156 0.000 1.222 202 Q HN 0.287 nan 8.270 nan 0.000 0.400 203 L N 2.226 123.411 121.223 -0.064 0.000 2.397 203 L HA 0.505 4.845 4.340 -0.000 0.000 0.266 203 L C 0.636 177.521 176.870 0.024 0.000 1.040 203 L CA -1.040 53.782 54.840 -0.030 0.000 0.800 203 L CB 0.667 42.713 42.059 -0.022 0.000 1.324 203 L HN 0.624 nan 8.230 nan 0.000 0.469 204 I N -2.571 118.024 120.570 0.042 0.000 3.363 204 I HA 0.293 4.463 4.170 -0.000 0.000 0.234 204 I C 0.532 176.759 176.117 0.183 0.000 1.263 204 I CA 0.063 61.427 61.300 0.107 0.000 0.921 204 I CB 0.696 38.725 38.000 0.048 0.000 1.614 204 I HN 0.560 nan 8.210 nan 0.000 0.879 205 S N -1.003 114.830 115.700 0.222 0.000 4.323 205 S HA 0.876 5.346 4.470 -0.000 0.000 0.245 205 S C -0.483 174.226 174.600 0.180 0.000 1.102 205 S CA -0.210 58.130 58.200 0.233 0.000 1.550 205 S CB 0.887 64.296 63.200 0.347 0.000 1.359 205 S HN 1.357 nan 8.310 nan 0.000 0.725 206 G N 1.299 110.177 108.800 0.131 0.000 2.377 206 G HA2 0.463 4.423 3.960 -0.000 0.000 0.297 206 G HA3 0.463 4.423 3.960 -0.000 0.000 0.297 206 G C -2.041 172.903 174.900 0.073 0.000 1.547 206 G CA -0.247 44.915 45.100 0.104 0.000 0.833 206 G HN 1.041 nan 8.290 nan 0.000 0.583 207 N N -0.878 117.861 118.700 0.066 0.000 2.972 207 N HA 0.595 5.335 4.740 -0.000 0.000 0.262 207 N C 0.379 175.922 175.510 0.054 0.000 1.478 207 N CA -0.989 52.101 53.050 0.066 0.000 0.841 207 N CB 0.886 39.420 38.487 0.079 0.000 1.512 207 N HN 0.363 nan 8.380 nan 0.000 0.548 208 L N -0.733 120.519 121.223 0.049 0.000 2.121 208 L HA 0.134 4.474 4.340 -0.000 0.000 0.200 208 L C 0.108 176.985 176.870 0.012 0.000 1.132 208 L CA 0.500 55.352 54.840 0.021 0.000 0.782 208 L CB -0.677 41.385 42.059 0.005 0.000 0.940 208 L HN 0.756 nan 8.230 nan 0.000 0.458 209 D N 0.898 121.288 120.400 -0.018 0.000 2.515 209 D HA -0.067 4.573 4.640 -0.000 0.000 0.232 209 D C 0.729 177.059 176.300 0.050 0.000 1.157 209 D CA 0.674 54.655 54.000 -0.032 0.000 0.871 209 D CB 1.161 41.871 40.800 -0.149 0.000 1.200 209 D HN 0.278 nan 8.370 nan 0.000 0.466 210 A N 3.013 125.863 122.820 0.050 0.000 1.832 210 A HA 0.070 4.390 4.320 -0.000 0.000 0.214 210 A C -1.305 176.361 177.584 0.135 0.000 1.200 210 A CA 0.681 52.762 52.037 0.073 0.000 0.610 210 A CB -1.651 17.372 19.000 0.037 0.000 0.842 210 A HN 0.586 nan 8.150 nan 0.000 0.444 211 P HA 0.161 nan 4.420 nan 0.000 0.270 211 P C -0.100 177.441 177.300 0.401 0.000 1.227 211 P CA 0.079 63.306 63.100 0.212 0.000 0.788 211 P CB 0.354 32.029 31.700 -0.043 0.000 0.926 212 E N -0.132 120.340 120.200 0.454 0.000 2.267 212 E HA 0.424 4.774 4.350 -0.000 0.000 0.258 212 E C 0.665 177.610 176.600 0.575 0.000 1.074 212 E CA -0.609 56.074 56.400 0.472 0.000 0.915 212 E CB 0.651 30.651 29.700 0.500 0.000 1.186 212 E HN 0.508 nan 8.360 nan 0.000 0.439 213 G N -0.317 108.749 108.800 0.443 0.000 4.637 213 G HA2 0.294 4.254 3.960 -0.000 0.000 0.308 213 G HA3 0.294 4.254 3.960 -0.000 0.000 0.308 213 G C 0.793 175.899 174.900 0.343 0.000 1.377 213 G CA 0.014 45.404 45.100 0.484 0.000 1.176 213 G HN 0.455 nan 8.290 nan 0.000 0.601 214 G N 0.445 109.466 108.800 0.369 0.000 2.484 214 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.218 214 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.218 214 G C 1.587 176.478 174.900 -0.016 0.000 1.130 214 G CA 0.223 45.336 45.100 0.020 0.000 0.784 214 G HN 0.471 nan 8.290 nan 0.000 0.543 215 L N 0.369 121.692 121.223 0.166 0.000 2.083 215 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 215 L C 2.516 179.399 176.870 0.021 0.000 1.083 215 L CA 1.213 56.119 54.840 0.111 0.000 0.752 215 L CB -0.284 41.941 42.059 0.276 0.000 0.899 215 L HN 0.150 nan 8.230 nan 0.000 0.433 216 D N 0.345 120.738 120.400 -0.012 0.000 2.144 216 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 216 D C 2.120 178.283 176.300 -0.229 0.000 0.984 216 D CA 1.380 55.304 54.000 -0.126 0.000 0.834 216 D CB 0.285 40.900 40.800 -0.309 0.000 0.955 216 D HN 0.264 nan 8.370 nan 0.000 0.465 217 A N 0.584 123.252 122.820 -0.253 0.000 1.933 217 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 217 A C 2.224 179.541 177.584 -0.445 0.000 1.175 217 A CA 1.535 53.335 52.037 -0.395 0.000 0.628 217 A CB -0.438 18.470 19.000 -0.154 0.000 0.814 217 A HN 0.185 nan 8.150 nan 0.000 0.444 218 M N -0.835 118.611 119.600 -0.257 0.000 2.163 218 M HA -0.203 4.277 4.480 -0.000 0.000 0.258 218 M C 2.317 178.464 176.300 -0.255 0.000 1.071 218 M CA 1.659 56.835 55.300 -0.206 0.000 1.093 218 M CB -1.390 31.124 32.600 -0.143 0.000 1.285 218 M HN 0.342 nan 8.290 nan 0.000 0.420 219 M N 0.117 119.587 119.600 -0.218 0.000 2.065 219 M HA -0.217 4.263 4.480 -0.000 0.000 0.259 219 M C 2.178 178.297 176.300 -0.302 0.000 1.071 219 M CA 1.803 56.978 55.300 -0.207 0.000 1.109 219 M CB -1.544 30.990 32.600 -0.109 0.000 1.313 219 M HN 0.393 nan 8.290 nan 0.000 0.408 220 Q N -0.479 119.072 119.800 -0.414 0.000 2.217 220 Q HA -0.170 4.170 4.340 -0.000 0.000 0.209 220 Q C 2.152 177.858 176.000 -0.490 0.000 0.988 220 Q CA 1.465 56.964 55.803 -0.508 0.000 0.878 220 Q CB -0.385 27.932 28.738 -0.702 0.000 0.909 220 Q HN 0.352 nan 8.270 nan 0.000 0.424 221 V N 0.726 120.317 119.914 -0.538 0.000 2.221 221 V HA -0.179 3.941 4.120 -0.000 0.000 0.242 221 V C 1.322 177.311 176.094 -0.175 0.000 1.041 221 V CA 1.662 63.806 62.300 -0.259 0.000 0.995 221 V CB -0.582 31.101 31.823 -0.234 0.000 0.635 221 V HN 0.347 nan 8.190 nan 0.000 0.448 222 A N -0.985 121.668 122.820 -0.278 0.000 3.135 222 A HA 0.664 4.984 4.320 -0.000 0.000 0.253 222 A C 1.017 178.434 177.584 -0.278 0.000 1.638 222 A CA 0.696 52.516 52.037 -0.361 0.000 1.295 222 A CB -0.352 18.381 19.000 -0.446 0.000 1.106 222 A HN 0.541 nan 8.150 nan 0.000 0.648 223 A N -0.609 122.078 122.820 -0.222 0.000 1.917 223 A HA 0.340 4.660 4.320 -0.000 0.000 0.200 223 A C 0.928 178.411 177.584 -0.168 0.000 1.671 223 A CA 1.044 52.959 52.037 -0.203 0.000 1.034 223 A CB -0.036 18.822 19.000 -0.236 0.000 1.057 223 A HN 1.438 nan 8.150 nan 0.000 0.507 224 c N -2.582 115.938 118.600 -0.134 0.000 3.452 224 c HA 0.584 5.154 4.570 -0.000 0.000 0.251 224 c C -2.628 171.451 174.090 -0.019 0.000 1.160 224 c CA -1.583 54.692 56.329 -0.089 0.000 1.328 224 c CB 0.100 42.536 42.510 -0.124 0.000 1.819 224 c HN 0.200 nan 8.230 nan 0.000 0.543 225 P HA -0.008 nan 4.420 nan 0.000 0.244 225 P C 1.239 178.584 177.300 0.076 0.000 1.211 225 P CA 1.157 64.342 63.100 0.143 0.000 0.760 225 P CB -0.001 31.858 31.700 0.267 0.000 0.961 226 E N -0.086 120.132 120.200 0.030 0.000 2.472 226 E HA -0.129 4.221 4.350 -0.000 0.000 0.200 226 E C 0.941 177.552 176.600 0.018 0.000 1.046 226 E CA 0.783 57.196 56.400 0.022 0.000 0.871 226 E CB -0.003 29.702 29.700 0.009 0.000 0.806 226 E HN 0.504 nan 8.360 nan 0.000 0.533 227 E N -1.091 119.116 120.200 0.011 0.000 2.603 227 E HA 0.157 4.507 4.350 -0.000 0.000 0.218 227 E C 1.420 177.999 176.600 -0.036 0.000 0.878 227 E CA -0.025 56.373 56.400 -0.002 0.000 1.348 227 E CB 0.721 30.418 29.700 -0.005 0.000 1.318 227 E HN 0.103 nan 8.360 nan 0.000 0.673 228 I N 0.362 120.908 120.570 -0.040 0.000 3.616 228 I HA 0.218 4.388 4.170 -0.000 0.000 0.296 228 I C 0.831 176.932 176.117 -0.028 0.000 1.226 228 I CA 0.409 61.628 61.300 -0.136 0.000 1.394 228 I CB 0.791 38.712 38.000 -0.131 0.000 1.171 228 I HN 0.102 nan 8.210 nan 0.000 0.442 229 G N 1.109 109.951 108.800 0.070 0.000 2.850 229 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.686 229 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.686 229 G C -1.359 173.544 174.900 0.006 0.000 1.164 229 G CA -0.705 44.437 45.100 0.069 0.000 0.826 229 G HN 0.221 nan 8.290 nan 0.000 0.586 230 W N 1.117 122.435 121.300 0.029 0.000 3.296 230 W HA 0.648 5.307 4.660 -0.000 0.000 0.314 230 W C 0.143 176.677 176.519 0.026 0.000 1.238 230 W CA -1.113 56.250 57.345 0.031 0.000 1.193 230 W CB 1.624 31.083 29.460 -0.003 0.000 1.383 230 W HN 0.821 nan 8.180 nan 0.000 0.545 231 R N 1.658 122.331 120.500 0.288 0.000 2.694 231 R HA 0.101 4.441 4.340 -0.000 0.000 0.268 231 R C 0.804 177.214 176.300 0.182 0.000 1.061 231 R CA 0.386 56.598 56.100 0.187 0.000 1.133 231 R CB 0.371 30.764 30.300 0.155 0.000 1.020 231 R HN 0.420 nan 8.270 nan 0.000 0.475 232 N N 1.719 120.487 118.700 0.115 0.000 2.370 232 N HA 0.042 4.782 4.740 -0.000 0.000 0.198 232 N C -0.129 175.414 175.510 0.055 0.000 1.156 232 N CA 0.180 53.276 53.050 0.076 0.000 0.839 232 N CB 0.384 38.905 38.487 0.056 0.000 0.989 232 N HN 0.370 nan 8.380 nan 0.000 0.468 233 V N -1.793 118.168 119.914 0.077 0.000 3.945 233 V HA 0.288 4.408 4.120 -0.000 0.000 0.196 233 V C 0.612 176.742 176.094 0.059 0.000 1.110 233 V CA 0.282 62.614 62.300 0.053 0.000 1.411 233 V CB -0.023 31.857 31.823 0.095 0.000 1.707 233 V HN 0.062 nan 8.190 nan 0.000 0.477 234 T N 1.665 116.288 114.554 0.116 0.000 2.925 234 T HA 0.661 5.010 4.350 -0.000 0.000 0.285 234 T C -0.563 174.236 174.700 0.164 0.000 1.021 234 T CA -0.388 61.779 62.100 0.112 0.000 1.042 234 T CB 1.154 70.123 68.868 0.168 0.000 1.037 234 T HN 0.314 nan 8.240 nan 0.000 0.481 235 R N 1.876 122.441 120.500 0.109 0.000 2.810 235 R HA 0.342 4.682 4.340 -0.000 0.000 0.280 235 R C -1.777 174.580 176.300 0.096 0.000 1.517 235 R CA -0.711 55.517 56.100 0.214 0.000 1.063 235 R CB 0.659 30.936 30.300 -0.038 0.000 1.275 235 R HN 0.257 nan 8.270 nan 0.000 0.464 236 L N 3.268 124.589 121.223 0.164 0.000 2.307 236 L HA 0.511 4.851 4.340 -0.000 0.000 0.284 236 L C -0.462 176.503 176.870 0.158 0.000 1.023 236 L CA -0.550 54.333 54.840 0.071 0.000 0.810 236 L CB 1.313 43.377 42.059 0.007 0.000 1.231 236 L HN 0.343 nan 8.230 nan 0.000 0.423 237 L N 2.879 124.148 121.223 0.077 0.000 2.298 237 L HA 0.786 5.126 4.340 -0.000 0.000 0.268 237 L C -0.699 176.183 176.870 0.020 0.000 1.010 237 L CA -0.707 54.210 54.840 0.128 0.000 0.812 237 L CB 2.145 44.263 42.059 0.098 0.000 1.331 237 L HN 0.290 nan 8.230 nan 0.000 0.450 238 V N 1.081 121.012 119.914 0.028 0.000 2.610 238 V HA 0.436 4.556 4.120 -0.000 0.000 0.298 238 V C -1.346 174.706 176.094 -0.070 0.000 1.067 238 V CA -0.471 61.788 62.300 -0.068 0.000 0.894 238 V CB 1.249 33.016 31.823 -0.093 0.000 1.015 238 V HN 0.489 nan 8.190 nan 0.000 0.432 239 F N 5.804 125.626 119.950 -0.214 0.000 2.399 239 F HA 0.788 5.315 4.527 -0.000 0.000 0.342 239 F C 0.504 176.240 175.800 -0.107 0.000 1.106 239 F CA 0.543 58.466 58.000 -0.129 0.000 1.196 239 F CB 1.534 40.431 39.000 -0.171 0.000 1.163 239 F HN 0.786 nan 8.300 nan 0.000 0.547 240 A N 3.745 126.317 122.820 -0.414 0.000 2.442 240 A HA 0.613 4.933 4.320 -0.000 0.000 0.284 240 A C -0.840 176.610 177.584 -0.223 0.000 1.058 240 A CA -0.343 51.552 52.037 -0.236 0.000 0.738 240 A CB 1.347 20.182 19.000 -0.275 0.000 1.242 240 A HN 0.736 nan 8.150 nan 0.000 0.421 241 T N 1.222 115.766 114.554 -0.017 0.000 3.289 241 T HA 0.404 4.754 4.350 -0.000 0.000 0.370 241 T C -1.756 173.057 174.700 0.189 0.000 1.546 241 T CA -0.039 62.109 62.100 0.080 0.000 1.144 241 T CB 0.936 69.926 68.868 0.204 0.000 1.379 241 T HN 0.793 nan 8.240 nan 0.000 0.478 242 D N 2.887 123.376 120.400 0.149 0.000 3.072 242 D HA 0.386 5.026 4.640 -0.000 0.000 0.250 242 D C -0.144 176.264 176.300 0.179 0.000 1.304 242 D CA -0.184 53.911 54.000 0.158 0.000 0.861 242 D CB 0.130 40.996 40.800 0.111 0.000 1.062 242 D HN 0.418 nan 8.370 nan 0.000 0.481 243 D N -1.312 119.239 120.400 0.252 0.000 2.665 243 D HA 0.400 5.040 4.640 -0.000 0.000 0.287 243 D C 0.663 177.174 176.300 0.353 0.000 1.266 243 D CA -0.816 53.337 54.000 0.254 0.000 0.830 243 D CB 1.306 42.249 40.800 0.239 0.000 1.356 243 D HN 0.144 nan 8.370 nan 0.000 0.437 244 G N -0.512 108.463 108.800 0.292 0.000 2.481 244 G HA2 0.481 4.441 3.960 -0.000 0.000 0.251 244 G HA3 0.481 4.441 3.960 -0.000 0.000 0.251 244 G C -0.656 174.594 174.900 0.584 0.000 1.492 244 G CA 0.046 45.351 45.100 0.341 0.000 1.060 244 G HN 0.425 nan 8.290 nan 0.000 0.553 245 F N -3.015 116.990 119.950 0.092 0.000 2.639 245 F HA 0.544 5.071 4.527 -0.000 0.000 0.326 245 F C -1.298 174.487 175.800 -0.026 0.000 1.150 245 F CA -1.656 56.453 58.000 0.182 0.000 1.057 245 F CB 0.286 39.418 39.000 0.220 0.000 1.300 245 F HN 0.420 nan 8.300 nan 0.000 0.486 246 H N 3.424 122.462 119.070 -0.053 0.000 2.473 246 H HA 0.716 5.272 4.556 -0.000 0.000 0.327 246 H C -0.559 174.590 175.328 -0.299 0.000 1.105 246 H CA -0.269 55.494 56.048 -0.476 0.000 1.280 246 H CB 1.251 30.696 29.762 -0.528 0.000 1.450 246 H HN 0.592 nan 8.280 nan 0.000 0.492 247 F N -0.197 119.673 119.950 -0.133 0.000 2.712 247 F HA 0.790 5.317 4.527 -0.000 0.000 0.367 247 F C 0.338 176.124 175.800 -0.022 0.000 1.132 247 F CA -1.891 56.110 58.000 0.003 0.000 1.066 247 F CB 0.081 39.076 39.000 -0.008 0.000 1.416 247 F HN 0.543 nan 8.300 nan 0.000 0.515 248 A N 0.096 123.116 122.820 0.332 0.000 2.583 248 A HA 0.385 4.705 4.320 -0.000 0.000 0.231 248 A C 1.440 179.111 177.584 0.145 0.000 1.065 248 A CA 1.112 53.264 52.037 0.192 0.000 0.760 248 A CB -1.240 17.835 19.000 0.125 0.000 1.001 248 A HN 2.247 nan 8.150 nan 0.000 0.509 249 G N 0.740 109.584 108.800 0.074 0.000 2.284 249 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.230 249 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.230 249 G C 0.535 175.442 174.900 0.011 0.000 1.021 249 G CA 0.879 46.006 45.100 0.045 0.000 0.619 249 G HN 0.701 nan 8.290 nan 0.000 0.510 250 D N 0.963 121.341 120.400 -0.037 0.000 2.317 250 D HA 0.183 4.823 4.640 -0.000 0.000 0.211 250 D C 2.359 178.743 176.300 0.139 0.000 0.966 250 D CA 1.344 55.330 54.000 -0.023 0.000 0.876 250 D CB -0.741 39.985 40.800 -0.124 0.000 0.927 250 D HN 0.557 nan 8.370 nan 0.000 0.519 251 G N 0.770 109.659 108.800 0.149 0.000 2.471 251 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 251 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 251 G C 1.487 176.467 174.900 0.134 0.000 1.125 251 G CA 0.405 45.625 45.100 0.199 0.000 0.775 251 G HN 0.256 nan 8.290 nan 0.000 0.548 252 K N 0.009 120.459 120.400 0.084 0.000 2.281 252 K HA 0.031 4.351 4.320 -0.000 0.000 0.203 252 K C 2.259 178.897 176.600 0.064 0.000 1.046 252 K CA 0.554 56.875 56.287 0.056 0.000 0.938 252 K CB -0.196 32.322 32.500 0.030 0.000 0.737 252 K HN 0.361 nan 8.250 nan 0.000 0.458 253 L N -0.699 120.576 121.223 0.087 0.000 2.093 253 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 253 L C 2.099 179.034 176.870 0.108 0.000 1.085 253 L CA 1.213 56.095 54.840 0.071 0.000 0.755 253 L CB -0.295 41.782 42.059 0.031 0.000 0.904 253 L HN 0.258 nan 8.230 nan 0.000 0.435 254 G N -1.208 107.700 108.800 0.181 0.000 3.327 254 G HA2 0.324 4.284 3.960 -0.000 0.000 0.240 254 G HA3 0.324 4.284 3.960 -0.000 0.000 0.240 254 G C 0.930 175.893 174.900 0.105 0.000 1.222 254 G CA 0.309 45.509 45.100 0.167 0.000 0.871 254 G HN 0.408 nan 8.290 nan 0.000 0.525 255 A N -0.299 122.569 122.820 0.080 0.000 2.869 255 A HA -0.189 4.131 4.320 -0.000 0.000 0.280 255 A C 0.467 178.083 177.584 0.052 0.000 1.458 255 A CA 1.146 53.217 52.037 0.057 0.000 0.776 255 A CB -2.502 16.529 19.000 0.053 0.000 1.028 255 A HN 1.398 nan 8.150 nan 0.000 0.547 256 I N -4.041 116.561 120.570 0.054 0.000 2.439 256 I HA 0.692 4.862 4.170 -0.000 0.000 0.283 256 I C 0.030 176.158 176.117 0.019 0.000 1.023 256 I CA -1.086 60.237 61.300 0.038 0.000 1.100 256 I CB 1.542 39.565 38.000 0.039 0.000 1.238 256 I HN -0.082 nan 8.210 nan 0.000 0.445 257 L N 5.136 126.365 121.223 0.009 0.000 3.110 257 L HA 0.244 4.584 4.340 -0.000 0.000 0.266 257 L C 0.676 177.536 176.870 -0.017 0.000 1.257 257 L CA 0.184 55.023 54.840 -0.002 0.000 1.038 257 L CB 0.465 42.527 42.059 0.005 0.000 1.395 257 L HN 0.755 nan 8.230 nan 0.000 0.566 258 T N -1.400 113.137 114.554 -0.028 0.000 2.762 258 T HA 0.488 4.838 4.350 -0.000 0.000 0.303 258 T C -2.352 172.283 174.700 -0.109 0.000 0.977 258 T CA -1.862 60.218 62.100 -0.033 0.000 0.961 258 T CB 0.736 69.610 68.868 0.009 0.000 0.944 258 T HN -0.123 nan 8.240 nan 0.000 0.481 259 P HA 0.049 nan 4.420 nan 0.000 0.273 259 P C -0.079 177.083 177.300 -0.230 0.000 1.258 259 P CA -0.543 62.467 63.100 -0.149 0.000 0.802 259 P CB 0.556 32.216 31.700 -0.066 0.000 1.040 260 N N 1.055 119.613 118.700 -0.237 0.000 2.458 260 N HA -0.027 4.713 4.740 -0.000 0.000 0.270 260 N C 0.796 176.399 175.510 0.156 0.000 1.102 260 N CA -0.028 52.969 53.050 -0.089 0.000 0.967 260 N CB 0.320 38.787 38.487 -0.033 0.000 1.078 260 N HN 0.336 nan 8.380 nan 0.000 0.471 261 D N 3.145 123.748 120.400 0.337 0.000 2.120 261 D HA 0.021 4.661 4.640 -0.000 0.000 0.202 261 D C 1.121 177.506 176.300 0.141 0.000 0.972 261 D CA 1.437 55.557 54.000 0.200 0.000 0.837 261 D CB -0.164 40.766 40.800 0.216 0.000 0.989 261 D HN 0.731 nan 8.370 nan 0.000 0.469 262 G N 0.055 108.941 108.800 0.144 0.000 2.336 262 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.194 262 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.194 262 G C 0.267 175.138 174.900 -0.049 0.000 0.999 262 G CA -0.222 44.905 45.100 0.045 0.000 0.669 262 G HN 0.402 nan 8.290 nan 0.000 0.482 263 R N 0.528 120.988 120.500 -0.068 0.000 2.514 263 R HA 0.594 4.933 4.340 -0.000 0.000 0.301 263 R C 0.674 176.673 176.300 -0.503 0.000 0.962 263 R CA -0.049 55.904 56.100 -0.244 0.000 0.882 263 R CB 1.613 31.797 30.300 -0.194 0.000 1.143 263 R HN 0.573 nan 8.270 nan 0.000 0.452 264 c N 1.580 119.861 118.600 -0.532 0.000 2.466 264 c HA 0.480 5.050 4.570 -0.000 0.000 0.379 264 c C -0.063 173.619 174.090 -0.679 0.000 1.251 264 c CA -0.685 55.349 56.329 -0.491 0.000 2.263 264 c CB 0.306 42.642 42.510 -0.290 0.000 2.511 264 c HN 0.778 nan 8.230 nan 0.000 0.573 265 H N 4.186 123.204 119.070 -0.086 0.000 2.607 265 H HA 0.403 4.959 4.556 -0.000 0.000 0.248 265 H C -0.570 174.751 175.328 -0.012 0.000 1.355 265 H CA -0.155 55.866 56.048 -0.044 0.000 1.524 265 H CB 0.678 30.408 29.762 -0.054 0.000 1.563 265 H HN 0.781 nan 8.280 nan 0.000 0.509 266 L N -1.266 120.004 121.223 0.079 0.000 2.352 266 L HA 0.546 4.886 4.340 -0.000 0.000 0.269 266 L C 1.061 177.969 176.870 0.063 0.000 1.034 266 L CA -0.364 54.528 54.840 0.086 0.000 0.806 266 L CB 1.605 43.738 42.059 0.123 0.000 1.244 266 L HN 0.162 nan 8.230 nan 0.000 0.447 267 E N 0.202 120.431 120.200 0.047 0.000 2.508 267 E HA 0.034 4.384 4.350 -0.000 0.000 0.217 267 E C -0.688 175.929 176.600 0.028 0.000 0.896 267 E CA 0.555 56.975 56.400 0.033 0.000 1.118 267 E CB 0.636 30.348 29.700 0.020 0.000 1.133 267 E HN 0.962 nan 8.360 nan 0.000 0.526 268 D N 0.159 120.578 120.400 0.031 0.000 2.997 268 D HA 0.110 4.750 4.640 -0.000 0.000 0.362 268 D C -0.305 176.021 176.300 0.043 0.000 1.298 268 D CA -0.582 53.433 54.000 0.026 0.000 0.756 268 D CB -0.806 39.997 40.800 0.004 0.000 1.216 268 D HN -0.161 nan 8.370 nan 0.000 0.496 269 N N 0.345 119.088 118.700 0.072 0.000 2.696 269 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 269 N C -0.606 174.968 175.510 0.107 0.000 1.090 269 N CA 0.705 53.822 53.050 0.112 0.000 0.716 269 N CB -0.911 37.657 38.487 0.136 0.000 1.020 269 N HN 0.682 nan 8.380 nan 0.000 0.548 270 L N 0.274 121.570 121.223 0.121 0.000 2.543 270 L HA 0.328 4.668 4.340 -0.000 0.000 0.265 270 L C -0.277 176.692 176.870 0.164 0.000 0.945 270 L CA -1.171 53.761 54.840 0.153 0.000 0.869 270 L CB 1.074 43.157 42.059 0.039 0.000 1.294 270 L HN 0.156 nan 8.230 nan 0.000 0.405 271 Y N 3.304 123.732 120.300 0.212 0.000 2.712 271 Y HA 0.263 4.812 4.550 -0.000 0.000 0.333 271 Y C -0.151 175.805 175.900 0.094 0.000 1.225 271 Y CA 0.014 58.205 58.100 0.151 0.000 1.499 271 Y CB 0.469 39.032 38.460 0.171 0.000 1.288 271 Y HN 0.541 nan 8.280 nan 0.000 0.575 272 K N 4.207 124.543 120.400 -0.107 0.000 2.895 272 K HA 0.245 4.565 4.320 -0.000 0.000 0.200 272 K C 0.277 176.877 176.600 -0.002 0.000 1.133 272 K CA -0.273 55.911 56.287 -0.171 0.000 1.060 272 K CB 0.573 32.989 32.500 -0.141 0.000 0.735 272 K HN 0.661 nan 8.250 nan 0.000 0.451 273 R N -0.492 120.061 120.500 0.089 0.000 2.412 273 R HA 0.040 4.380 4.340 -0.000 0.000 0.212 273 R C 1.969 178.332 176.300 0.105 0.000 0.878 273 R CA 0.716 56.850 56.100 0.056 0.000 1.022 273 R CB -0.033 30.250 30.300 -0.028 0.000 1.265 273 R HN 0.171 nan 8.270 nan 0.000 0.620 274 S N 1.590 117.399 115.700 0.181 0.000 2.440 274 S HA -0.145 4.325 4.470 -0.000 0.000 0.240 274 S C 1.366 176.081 174.600 0.192 0.000 1.014 274 S CA 1.363 59.670 58.200 0.178 0.000 0.980 274 S CB -0.196 63.027 63.200 0.038 0.000 0.775 274 S HN 0.178 nan 8.310 nan 0.000 0.499 275 N N 1.929 120.742 118.700 0.189 0.000 2.207 275 N HA 0.022 4.762 4.740 -0.000 0.000 0.182 275 N C 0.589 176.170 175.510 0.119 0.000 1.020 275 N CA 1.181 54.306 53.050 0.126 0.000 0.858 275 N CB -0.431 38.123 38.487 0.112 0.000 0.991 275 N HN 0.581 nan 8.380 nan 0.000 0.427 276 E N -0.121 120.161 120.200 0.137 0.000 2.351 276 E HA 0.218 4.568 4.350 -0.000 0.000 0.236 276 E C -0.959 175.768 176.600 0.213 0.000 1.341 276 E CA -0.174 56.304 56.400 0.129 0.000 1.579 276 E CB -0.485 29.271 29.700 0.093 0.000 1.393 276 E HN 0.229 nan 8.360 nan 0.000 0.438 277 F N -0.321 119.624 119.950 -0.009 0.000 2.669 277 F HA 0.300 4.827 4.527 -0.000 0.000 0.315 277 F C -1.582 174.182 175.800 -0.059 0.000 1.109 277 F CA -1.226 56.759 58.000 -0.024 0.000 1.028 277 F CB 1.396 40.383 39.000 -0.022 0.000 1.287 277 F HN -0.184 nan 8.300 nan 0.000 0.452 278 D N 2.544 122.424 120.400 -0.866 0.000 2.388 278 D HA 0.279 4.919 4.640 -0.000 0.000 0.254 278 D C -1.041 174.773 176.300 -0.811 0.000 1.111 278 D CA 0.135 53.790 54.000 -0.575 0.000 0.993 278 D CB 0.785 41.400 40.800 -0.308 0.000 1.118 278 D HN 0.474 nan 8.370 nan 0.000 0.502 279 Y N 0.551 120.638 120.300 -0.355 0.000 2.411 279 Y HA 0.216 4.766 4.550 -0.000 0.000 0.333 279 Y C -1.451 174.372 175.900 -0.129 0.000 1.186 279 Y CA -1.549 56.448 58.100 -0.171 0.000 1.381 279 Y CB 0.554 38.991 38.460 -0.039 0.000 1.273 279 Y HN 0.242 nan 8.280 nan 0.000 0.546 280 P HA -0.032 nan 4.420 nan 0.000 0.263 280 P C -0.517 176.866 177.300 0.139 0.000 1.195 280 P CA -0.136 63.025 63.100 0.102 0.000 0.762 280 P CB 0.466 32.233 31.700 0.112 0.000 0.799 281 S N 2.268 118.017 115.700 0.081 0.000 2.572 281 S HA -0.030 4.440 4.470 -0.000 0.000 0.267 281 S C 1.419 176.053 174.600 0.056 0.000 1.361 281 S CA -0.262 57.982 58.200 0.072 0.000 1.009 281 S CB 0.303 63.510 63.200 0.013 0.000 0.888 281 S HN 0.313 nan 8.310 nan 0.000 0.553 282 V N 2.393 122.302 119.914 -0.010 0.000 2.332 282 V HA 0.011 4.131 4.120 -0.000 0.000 0.248 282 V C 2.053 178.123 176.094 -0.041 0.000 1.055 282 V CA 2.582 64.850 62.300 -0.053 0.000 1.038 282 V CB -1.380 30.305 31.823 -0.231 0.000 0.651 282 V HN 1.078 nan 8.190 nan 0.000 0.450 283 G N -1.498 107.268 108.800 -0.056 0.000 2.985 283 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.209 283 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.209 283 G C 1.253 176.134 174.900 -0.031 0.000 1.165 283 G CA 0.499 45.567 45.100 -0.053 0.000 0.776 283 G HN 0.607 nan 8.290 nan 0.000 0.541 284 Q N -0.285 119.508 119.800 -0.012 0.000 2.415 284 Q HA 0.280 4.620 4.340 -0.000 0.000 0.206 284 Q C 1.641 177.648 176.000 0.012 0.000 0.946 284 Q CA 0.151 55.959 55.803 0.008 0.000 0.951 284 Q CB -0.030 28.718 28.738 0.017 0.000 1.026 284 Q HN 0.498 nan 8.270 nan 0.000 0.510 285 L N -1.541 119.675 121.223 -0.012 0.000 2.435 285 L HA 0.292 4.632 4.340 -0.000 0.000 0.195 285 L C 2.202 179.032 176.870 -0.066 0.000 1.072 285 L CA 0.595 55.406 54.840 -0.048 0.000 0.833 285 L CB -0.538 41.486 42.059 -0.059 0.000 1.081 285 L HN 0.142 nan 8.230 nan 0.000 0.485 286 A N -0.622 122.163 122.820 -0.058 0.000 2.148 286 A HA -0.275 4.045 4.320 -0.000 0.000 0.222 286 A C 2.072 179.613 177.584 -0.071 0.000 1.161 286 A CA 1.873 53.859 52.037 -0.085 0.000 0.662 286 A CB -0.944 18.006 19.000 -0.083 0.000 0.799 286 A HN 0.563 nan 8.150 nan 0.000 0.466 287 H N -1.159 117.832 119.070 -0.132 0.000 2.315 287 H HA 0.029 4.585 4.556 -0.000 0.000 0.318 287 H C 2.158 177.407 175.328 -0.131 0.000 1.068 287 H CA 1.447 57.417 56.048 -0.130 0.000 1.465 287 H CB 0.029 29.728 29.762 -0.105 0.000 1.475 287 H HN 0.341 nan 8.280 nan 0.000 0.597 288 K N 1.105 121.415 120.400 -0.150 0.000 2.009 288 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 288 K C 2.416 178.868 176.600 -0.247 0.000 1.049 288 K CA 1.489 57.644 56.287 -0.219 0.000 0.929 288 K CB -0.910 31.535 32.500 -0.091 0.000 0.714 288 K HN 0.237 nan 8.250 nan 0.000 0.440 289 L N 0.593 121.693 121.223 -0.206 0.000 1.990 289 L HA -0.103 4.237 4.340 -0.000 0.000 0.213 289 L C 2.061 178.777 176.870 -0.258 0.000 1.072 289 L CA 2.513 57.212 54.840 -0.234 0.000 0.755 289 L CB -1.147 40.793 42.059 -0.197 0.000 0.889 289 L HN 0.260 nan 8.230 nan 0.000 0.432 290 A N -1.558 121.116 122.820 -0.243 0.000 2.209 290 A HA -0.166 4.154 4.320 -0.000 0.000 0.212 290 A C 2.231 179.658 177.584 -0.263 0.000 1.158 290 A CA 1.291 53.177 52.037 -0.251 0.000 0.742 290 A CB -0.680 18.171 19.000 -0.249 0.000 0.790 290 A HN 0.677 nan 8.150 nan 0.000 0.472 291 E N -0.008 120.014 120.200 -0.298 0.000 2.170 291 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 291 E C 0.504 176.959 176.600 -0.242 0.000 0.981 291 E CA 0.636 56.863 56.400 -0.289 0.000 0.830 291 E CB 0.007 29.481 29.700 -0.376 0.000 0.775 291 E HN 0.495 nan 8.360 nan 0.000 0.470 292 N N 1.267 119.804 118.700 -0.271 0.000 2.276 292 N HA 0.049 4.789 4.740 -0.000 0.000 0.212 292 N C -0.847 174.482 175.510 -0.301 0.000 1.127 292 N CA 0.213 53.091 53.050 -0.286 0.000 0.834 292 N CB 0.090 38.362 38.487 -0.358 0.000 1.014 292 N HN 0.218 nan 8.380 nan 0.000 0.491 293 N N 0.092 118.628 118.700 -0.273 0.000 2.740 293 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 293 N C -1.077 174.253 175.510 -0.299 0.000 1.062 293 N CA 0.313 53.192 53.050 -0.284 0.000 0.704 293 N CB -1.151 37.188 38.487 -0.245 0.000 0.968 293 N HN 0.339 nan 8.380 nan 0.000 0.547 294 I N 0.481 120.861 120.570 -0.316 0.000 2.493 294 I HA 0.337 4.507 4.170 -0.000 0.000 0.298 294 I C -0.259 175.713 176.117 -0.242 0.000 0.998 294 I CA -0.627 60.488 61.300 -0.308 0.000 1.137 294 I CB 1.725 39.473 38.000 -0.420 0.000 1.310 294 I HN -0.007 nan 8.210 nan 0.000 0.445 295 Q N 5.811 125.494 119.800 -0.196 0.000 2.350 295 Q HA 0.390 4.730 4.340 -0.000 0.000 0.255 295 Q C -2.584 173.297 176.000 -0.199 0.000 0.951 295 Q CA -1.840 53.849 55.803 -0.190 0.000 0.751 295 Q CB 2.122 30.764 28.738 -0.159 0.000 1.296 295 Q HN 0.235 nan 8.270 nan 0.000 0.453 296 P HA 0.200 nan 4.420 nan 0.000 0.270 296 P C -0.231 176.799 177.300 -0.451 0.000 1.223 296 P CA 0.035 62.931 63.100 -0.340 0.000 0.785 296 P CB 0.771 32.183 31.700 -0.480 0.000 0.923 297 I N 2.217 122.564 120.570 -0.372 0.000 2.437 297 I HA 0.241 4.411 4.170 -0.000 0.000 0.279 297 I C -0.269 175.688 176.117 -0.266 0.000 1.028 297 I CA -0.773 60.346 61.300 -0.302 0.000 1.142 297 I CB 0.356 38.273 38.000 -0.138 0.000 1.266 297 I HN 0.152 nan 8.210 nan 0.000 0.461 298 F N 4.891 124.779 119.950 -0.103 0.000 2.602 298 F HA 0.288 4.815 4.527 -0.000 0.000 0.385 298 F C 0.938 176.677 175.800 -0.102 0.000 1.063 298 F CA -0.065 57.824 58.000 -0.185 0.000 1.233 298 F CB 0.414 39.261 39.000 -0.255 0.000 1.067 298 F HN 0.495 nan 8.300 nan 0.000 0.564 299 A N 4.011 126.879 122.820 0.081 0.000 2.768 299 A HA 0.642 4.962 4.320 -0.000 0.000 0.298 299 A C -0.827 176.803 177.584 0.076 0.000 1.159 299 A CA -0.370 51.710 52.037 0.071 0.000 0.783 299 A CB 0.218 19.242 19.000 0.041 0.000 1.333 299 A HN 0.808 nan 8.150 nan 0.000 0.412 300 V N -0.691 119.294 119.914 0.119 0.000 3.087 300 V HA 0.900 5.020 4.120 -0.000 0.000 0.311 300 V C 0.426 176.612 176.094 0.153 0.000 1.333 300 V CA -0.218 62.179 62.300 0.162 0.000 1.054 300 V CB 0.787 32.786 31.823 0.292 0.000 1.123 300 V HN 1.214 nan 8.190 nan 0.000 0.473 301 T N -0.611 114.038 114.554 0.159 0.000 2.748 301 T HA 0.213 4.562 4.350 -0.000 0.000 0.304 301 T C 1.297 176.066 174.700 0.116 0.000 1.041 301 T CA 0.461 62.634 62.100 0.121 0.000 1.033 301 T CB 0.668 69.603 68.868 0.111 0.000 0.995 301 T HN 1.766 nan 8.240 nan 0.000 0.536 302 S N -0.161 115.589 115.700 0.084 0.000 2.481 302 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 302 S C 1.897 176.532 174.600 0.057 0.000 0.996 302 S CA 0.251 58.490 58.200 0.066 0.000 0.942 302 S CB -0.524 62.703 63.200 0.046 0.000 0.768 302 S HN 0.769 nan 8.310 nan 0.000 0.520 303 R N 0.199 120.737 120.500 0.064 0.000 2.189 303 R HA 0.181 4.521 4.340 -0.000 0.000 0.218 303 R C 0.844 177.176 176.300 0.053 0.000 1.074 303 R CA 0.878 57.009 56.100 0.051 0.000 0.991 303 R CB -0.053 30.280 30.300 0.056 0.000 0.883 303 R HN 0.380 nan 8.270 nan 0.000 0.457 304 M N 0.234 119.888 119.600 0.091 0.000 2.589 304 M HA 0.053 4.533 4.480 -0.000 0.000 0.344 304 M C 1.155 177.530 176.300 0.125 0.000 1.168 304 M CA 0.054 55.404 55.300 0.083 0.000 0.956 304 M CB 0.993 33.706 32.600 0.189 0.000 1.370 304 M HN -0.025 nan 8.290 nan 0.000 0.518 305 V N 1.134 121.109 119.914 0.101 0.000 2.407 305 V HA -0.086 4.034 4.120 -0.000 0.000 0.245 305 V C 1.844 177.968 176.094 0.050 0.000 1.041 305 V CA 1.837 64.203 62.300 0.110 0.000 1.040 305 V CB 0.073 31.945 31.823 0.081 0.000 0.671 305 V HN 0.415 nan 8.190 nan 0.000 0.455 306 K N -0.695 119.709 120.400 0.007 0.000 2.444 306 K HA 0.035 4.355 4.320 -0.000 0.000 0.193 306 K C 1.858 178.422 176.600 -0.061 0.000 1.024 306 K CA 0.883 57.159 56.287 -0.019 0.000 1.077 306 K CB 0.170 32.663 32.500 -0.012 0.000 0.833 306 K HN 0.494 nan 8.250 nan 0.000 0.517 307 T N -0.691 113.796 114.554 -0.111 0.000 2.976 307 T HA -0.045 4.305 4.350 -0.000 0.000 0.257 307 T C 1.278 175.785 174.700 -0.321 0.000 1.051 307 T CA 0.788 62.778 62.100 -0.184 0.000 1.141 307 T CB -0.021 68.726 68.868 -0.201 0.000 0.881 307 T HN 0.122 nan 8.240 nan 0.000 0.461 308 Y N 1.358 121.486 120.300 -0.287 0.000 2.516 308 Y HA 0.225 4.775 4.550 -0.000 0.000 0.291 308 Y C 2.322 177.914 175.900 -0.513 0.000 1.131 308 Y CA 0.529 58.250 58.100 -0.632 0.000 1.281 308 Y CB -0.280 37.725 38.460 -0.758 0.000 1.013 308 Y HN 0.302 nan 8.280 nan 0.000 0.554 309 E N 0.808 120.932 120.200 -0.127 0.000 2.072 309 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 309 E C 1.860 178.414 176.600 -0.076 0.000 0.985 309 E CA 1.356 57.714 56.400 -0.070 0.000 0.801 309 E CB 0.017 29.702 29.700 -0.024 0.000 0.750 309 E HN -0.028 nan 8.360 nan 0.000 0.452 310 K N 0.065 120.412 120.400 -0.088 0.000 2.283 310 K HA -0.083 4.237 4.320 -0.000 0.000 0.202 310 K C 1.938 178.486 176.600 -0.086 0.000 1.048 310 K CA 0.579 56.824 56.287 -0.070 0.000 0.948 310 K CB -0.331 32.132 32.500 -0.061 0.000 0.742 310 K HN 0.235 nan 8.250 nan 0.000 0.458 311 L N 1.128 122.256 121.223 -0.157 0.000 2.313 311 L HA -0.026 4.314 4.340 -0.000 0.000 0.214 311 L C 1.726 178.554 176.870 -0.071 0.000 1.119 311 L CA 1.661 56.400 54.840 -0.168 0.000 0.809 311 L CB -0.609 41.229 42.059 -0.368 0.000 0.933 311 L HN 0.009 nan 8.230 nan 0.000 0.449 312 T N -0.450 114.069 114.554 -0.058 0.000 2.821 312 T HA -0.095 4.254 4.350 -0.000 0.000 0.267 312 T C 1.651 176.390 174.700 0.064 0.000 1.046 312 T CA 1.204 63.355 62.100 0.085 0.000 1.139 312 T CB -0.092 68.829 68.868 0.088 0.000 0.871 312 T HN 0.359 nan 8.240 nan 0.000 0.454 313 E N 1.028 121.240 120.200 0.020 0.000 2.038 313 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 313 E C 2.228 178.836 176.600 0.014 0.000 1.000 313 E CA 0.917 57.326 56.400 0.016 0.000 0.803 313 E CB -0.352 29.345 29.700 -0.005 0.000 0.750 313 E HN 0.364 nan 8.360 nan 0.000 0.448 314 I N 1.195 121.762 120.570 -0.005 0.000 2.087 314 I HA -0.126 4.044 4.170 -0.000 0.000 0.231 314 I C 1.848 177.956 176.117 -0.016 0.000 1.058 314 I CA 0.375 61.663 61.300 -0.021 0.000 1.328 314 I CB -0.967 37.010 38.000 -0.038 0.000 1.079 314 I HN 0.075 nan 8.210 nan 0.000 0.397 315 I N 2.404 122.975 120.570 0.002 0.000 2.692 315 I HA 0.032 4.202 4.170 -0.000 0.000 0.284 315 I C -2.018 174.107 176.117 0.013 0.000 1.159 315 I CA -1.258 60.035 61.300 -0.012 0.000 1.423 315 I CB 1.077 39.087 38.000 0.016 0.000 1.380 315 I HN 0.019 nan 8.210 nan 0.000 0.580 316 P HA 0.139 nan 4.420 nan 0.000 0.277 316 P C -1.409 175.968 177.300 0.128 0.000 1.271 316 P CA -0.503 62.622 63.100 0.043 0.000 0.795 316 P CB 0.271 31.702 31.700 -0.449 0.000 1.101 317 K N -0.591 119.996 120.400 0.312 0.000 4.814 317 K HA -0.061 4.259 4.320 -0.000 0.000 0.295 317 K C -0.663 175.953 176.600 0.027 0.000 0.828 317 K CA 0.688 57.071 56.287 0.160 0.000 0.895 317 K CB -2.152 30.429 32.500 0.135 0.000 1.810 317 K HN 0.675 nan 8.250 nan 0.000 0.418 318 S N -0.798 114.932 115.700 0.050 0.000 2.562 318 S HA 0.740 5.209 4.470 -0.000 0.000 0.274 318 S C -0.778 173.891 174.600 0.116 0.000 1.160 318 S CA -0.621 57.583 58.200 0.006 0.000 0.933 318 S CB 2.281 65.525 63.200 0.075 0.000 1.100 318 S HN 0.546 nan 8.310 nan 0.000 0.468 319 A N 1.895 124.766 122.820 0.084 0.000 2.330 319 A HA 0.937 5.257 4.320 -0.000 0.000 0.329 319 A C -0.029 177.689 177.584 0.225 0.000 1.135 319 A CA -0.682 51.432 52.037 0.129 0.000 0.817 319 A CB 1.328 20.364 19.000 0.061 0.000 1.269 319 A HN 1.999 nan 8.150 nan 0.000 0.469 320 V N -0.916 119.103 119.914 0.176 0.000 2.459 320 V HA 0.865 4.985 4.120 -0.000 0.000 0.295 320 V C 0.145 176.312 176.094 0.122 0.000 1.029 320 V CA 0.064 62.465 62.300 0.170 0.000 0.874 320 V CB 1.071 32.964 31.823 0.117 0.000 0.985 320 V HN 1.389 nan 8.190 nan 0.000 0.438 321 G N 3.105 111.978 108.800 0.122 0.000 2.814 321 G HA2 0.447 4.407 3.960 -0.000 0.000 0.300 321 G HA3 0.447 4.407 3.960 -0.000 0.000 0.300 321 G C -0.624 174.334 174.900 0.096 0.000 1.406 321 G CA -0.329 44.829 45.100 0.096 0.000 1.041 321 G HN 0.806 nan 8.290 nan 0.000 0.532 322 E N 2.662 122.914 120.200 0.086 0.000 2.259 322 E HA 0.405 4.755 4.350 -0.000 0.000 0.281 322 E C -0.605 176.039 176.600 0.074 0.000 1.037 322 E CA -0.242 56.207 56.400 0.082 0.000 0.854 322 E CB 1.104 30.845 29.700 0.069 0.000 1.051 322 E HN 0.430 nan 8.360 nan 0.000 0.409 323 L N 1.009 122.279 121.223 0.077 0.000 2.341 323 L HA 0.601 4.941 4.340 -0.000 0.000 0.254 323 L C -0.049 176.860 176.870 0.066 0.000 1.040 323 L CA -1.026 53.855 54.840 0.070 0.000 0.837 323 L CB 1.054 43.158 42.059 0.075 0.000 1.425 323 L HN 0.120 nan 8.230 nan 0.000 0.414 324 S N -0.438 115.297 115.700 0.059 0.000 2.614 324 S HA 0.176 4.646 4.470 -0.000 0.000 0.265 324 S C 0.710 175.344 174.600 0.057 0.000 1.303 324 S CA -0.102 58.130 58.200 0.053 0.000 1.000 324 S CB 0.868 64.095 63.200 0.045 0.000 0.935 324 S HN 0.781 nan 8.310 nan 0.000 0.551 325 E N 1.100 121.331 120.200 0.052 0.000 2.526 325 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 325 E C 0.555 177.183 176.600 0.046 0.000 1.091 325 E CA 0.546 56.978 56.400 0.053 0.000 0.880 325 E CB -0.234 29.496 29.700 0.050 0.000 0.873 325 E HN 0.611 nan 8.360 nan 0.000 0.527 326 D N -2.082 118.344 120.400 0.044 0.000 2.407 326 D HA 0.054 4.694 4.640 -0.000 0.000 0.208 326 D C 0.058 176.384 176.300 0.044 0.000 1.083 326 D CA 0.278 54.300 54.000 0.036 0.000 0.844 326 D CB -0.224 40.593 40.800 0.028 0.000 0.967 326 D HN -0.046 nan 8.370 nan 0.000 0.506 327 S N -0.767 114.969 115.700 0.060 0.000 3.641 327 S HA -0.220 4.250 4.470 -0.000 0.000 0.346 327 S C 1.281 175.923 174.600 0.070 0.000 1.074 327 S CA 0.807 59.056 58.200 0.081 0.000 1.026 327 S CB -2.163 61.099 63.200 0.104 0.000 0.908 327 S HN 0.656 nan 8.310 nan 0.000 0.479 328 S N 1.169 116.901 115.700 0.054 0.000 2.421 328 S HA -0.038 4.432 4.470 -0.000 0.000 0.224 328 S C 0.916 175.545 174.600 0.049 0.000 1.035 328 S CA 0.556 58.782 58.200 0.042 0.000 0.953 328 S CB -0.284 62.935 63.200 0.032 0.000 0.810 328 S HN 0.758 nan 8.310 nan 0.000 0.497 329 N N 1.876 120.609 118.700 0.056 0.000 2.802 329 N HA 0.174 4.914 4.740 -0.000 0.000 0.288 329 N C 0.591 176.145 175.510 0.075 0.000 1.268 329 N CA -0.219 52.867 53.050 0.059 0.000 1.035 329 N CB 0.417 38.936 38.487 0.054 0.000 1.353 329 N HN 0.291 nan 8.380 nan 0.000 0.522 330 V N -0.418 119.550 119.914 0.089 0.000 2.878 330 V HA -0.010 4.110 4.120 -0.000 0.000 0.250 330 V C 1.457 177.624 176.094 0.121 0.000 1.075 330 V CA 0.824 63.198 62.300 0.122 0.000 1.096 330 V CB 0.053 31.983 31.823 0.179 0.000 0.724 330 V HN 0.256 nan 8.190 nan 0.000 0.467 331 V N 0.050 120.021 119.914 0.097 0.000 2.871 331 V HA -0.147 3.973 4.120 -0.000 0.000 0.256 331 V C 2.233 178.377 176.094 0.083 0.000 1.082 331 V CA 1.803 64.157 62.300 0.090 0.000 1.105 331 V CB -0.542 31.321 31.823 0.066 0.000 0.713 331 V HN 0.648 nan 8.190 nan 0.000 0.473 332 Q N -0.169 119.676 119.800 0.075 0.000 2.472 332 Q HA -0.012 4.328 4.340 -0.000 0.000 0.208 332 Q C 2.011 178.056 176.000 0.076 0.000 0.958 332 Q CA 0.627 56.473 55.803 0.071 0.000 0.932 332 Q CB -0.054 28.721 28.738 0.061 0.000 1.007 332 Q HN 0.620 nan 8.270 nan 0.000 0.508 333 L N 0.013 121.284 121.223 0.081 0.000 2.046 333 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 333 L C 1.988 178.900 176.870 0.071 0.000 1.077 333 L CA 1.138 56.022 54.840 0.074 0.000 0.747 333 L CB -0.254 41.849 42.059 0.074 0.000 0.896 333 L HN 0.349 nan 8.230 nan 0.000 0.432 334 I N -0.711 119.910 120.570 0.086 0.000 3.059 334 I HA -0.138 4.031 4.170 -0.000 0.000 0.270 334 I C 2.336 178.547 176.117 0.158 0.000 1.238 334 I CA 0.291 61.650 61.300 0.098 0.000 1.478 334 I CB -0.134 37.938 38.000 0.121 0.000 1.097 334 I HN 0.126 nan 8.210 nan 0.000 0.455 335 K N 1.785 122.263 120.400 0.130 0.000 2.283 335 K HA -0.090 4.229 4.320 -0.000 0.000 0.202 335 K C 1.300 177.969 176.600 0.117 0.000 1.048 335 K CA 1.457 57.821 56.287 0.127 0.000 0.948 335 K CB -0.101 32.452 32.500 0.089 0.000 0.742 335 K HN 0.200 nan 8.250 nan 0.000 0.458 336 N N -0.189 118.568 118.700 0.096 0.000 2.299 336 N HA 0.148 4.888 4.740 -0.000 0.000 0.187 336 N C 0.857 176.408 175.510 0.069 0.000 1.099 336 N CA 0.705 53.803 53.050 0.081 0.000 0.867 336 N CB 0.491 39.019 38.487 0.069 0.000 0.974 336 N HN 0.253 nan 8.380 nan 0.000 0.477 337 A N 0.407 123.261 122.820 0.058 0.000 1.832 337 A HA -0.015 4.305 4.320 -0.000 0.000 0.214 337 A C 1.602 179.178 177.584 -0.012 0.000 1.242 337 A CA 0.759 52.783 52.037 -0.021 0.000 0.603 337 A CB -1.177 17.755 19.000 -0.113 0.000 0.902 337 A HN 0.211 nan 8.150 nan 0.000 0.455 338 Y N 0.825 121.160 120.300 0.058 0.000 2.298 338 Y HA -0.278 4.272 4.550 -0.000 0.000 0.287 338 Y C 2.533 178.468 175.900 0.059 0.000 1.164 338 Y CA 1.342 59.480 58.100 0.064 0.000 1.229 338 Y CB -0.359 38.137 38.460 0.060 0.000 0.977 338 Y HN 0.468 nan 8.280 nan 0.000 0.538 339 N N 0.803 119.616 118.700 0.188 0.000 2.037 339 N HA -0.203 4.537 4.740 -0.000 0.000 0.196 339 N C 0.792 176.364 175.510 0.102 0.000 1.034 339 N CA 1.739 54.865 53.050 0.126 0.000 0.861 339 N CB -0.051 38.494 38.487 0.097 0.000 1.039 339 N HN 0.118 nan 8.380 nan 0.000 0.427 340 K N -0.488 119.963 120.400 0.084 0.000 2.619 340 K HA 0.163 4.483 4.320 -0.000 0.000 0.201 340 K C 0.385 177.019 176.600 0.056 0.000 1.090 340 K CA -0.168 56.160 56.287 0.067 0.000 1.063 340 K CB 0.637 33.172 32.500 0.058 0.000 0.810 340 K HN 0.180 nan 8.250 nan 0.000 0.506 341 L N -0.316 120.942 121.223 0.058 0.000 2.577 341 L HA 0.262 4.602 4.340 -0.000 0.000 0.225 341 L C 0.987 177.914 176.870 0.095 0.000 1.053 341 L CA 1.136 55.997 54.840 0.035 0.000 0.866 341 L CB 0.434 42.463 42.059 -0.050 0.000 1.132 341 L HN -0.151 nan 8.230 nan 0.000 0.486 342 S N -0.513 115.283 115.700 0.160 0.000 2.851 342 S HA 0.095 4.565 4.470 -0.000 0.000 0.227 342 S C 1.298 176.008 174.600 0.185 0.000 0.958 342 S CA 0.715 59.058 58.200 0.238 0.000 0.990 342 S CB -0.275 63.112 63.200 0.313 0.000 0.790 342 S HN 0.513 nan 8.310 nan 0.000 0.509 343 S N 0.706 116.481 115.700 0.124 0.000 2.727 343 S HA 0.185 4.655 4.470 -0.000 0.000 0.249 343 S C 0.669 175.275 174.600 0.009 0.000 1.079 343 S CA -0.402 57.845 58.200 0.078 0.000 0.912 343 S CB 0.327 63.563 63.200 0.061 0.000 0.861 343 S HN 0.343 nan 8.310 nan 0.000 0.484 344 R N 2.812 123.287 120.500 -0.041 0.000 3.247 344 R HA 0.240 4.580 4.340 -0.000 0.000 0.212 344 R C -0.942 175.153 176.300 -0.341 0.000 1.604 344 R CA -0.047 55.888 56.100 -0.274 0.000 1.279 344 R CB -0.293 29.852 30.300 -0.258 0.000 1.277 344 R HN 0.113 nan 8.270 nan 0.000 0.669 345 V N 3.996 123.768 119.914 -0.236 0.000 2.521 345 V HA 0.089 4.209 4.120 -0.000 0.000 0.286 345 V C 0.312 176.139 176.094 -0.445 0.000 1.034 345 V CA 0.568 62.738 62.300 -0.217 0.000 1.045 345 V CB -0.071 31.713 31.823 -0.066 0.000 0.974 345 V HN 0.375 nan 8.190 nan 0.000 0.480 346 F N 4.248 124.111 119.950 -0.145 0.000 2.523 346 F HA 0.690 5.217 4.527 -0.000 0.000 0.329 346 F C 0.142 175.710 175.800 -0.387 0.000 1.061 346 F CA -0.730 57.134 58.000 -0.227 0.000 0.967 346 F CB 1.972 40.915 39.000 -0.096 0.000 1.218 346 F HN 0.277 nan 8.300 nan 0.000 0.480 347 L N 2.121 123.218 121.223 -0.210 0.000 2.806 347 L HA 0.297 4.637 4.340 -0.000 0.000 0.319 347 L C -0.895 175.773 176.870 -0.337 0.000 1.307 347 L CA 0.006 54.616 54.840 -0.385 0.000 0.710 347 L CB -0.507 41.062 42.059 -0.816 0.000 1.093 347 L HN 0.423 nan 8.230 nan 0.000 0.546 348 D N 0.116 120.427 120.400 -0.149 0.000 2.440 348 D HA 0.485 5.125 4.640 -0.000 0.000 0.269 348 D C -0.060 176.348 176.300 0.180 0.000 1.249 348 D CA 0.167 54.140 54.000 -0.045 0.000 1.055 348 D CB 0.533 41.234 40.800 -0.165 0.000 1.104 348 D HN 0.420 nan 8.370 nan 0.000 0.561 349 H N -1.908 117.207 119.070 0.074 0.000 3.008 349 H HA 0.370 4.926 4.556 -0.000 0.000 0.354 349 H C -0.761 174.620 175.328 0.088 0.000 1.252 349 H CA -0.888 55.247 56.048 0.146 0.000 1.117 349 H CB 0.161 30.067 29.762 0.240 0.000 1.857 349 H HN 0.061 nan 8.280 nan 0.000 0.547 350 N N 0.119 118.930 118.700 0.185 0.000 2.407 350 N HA 0.160 4.900 4.740 -0.000 0.000 0.250 350 N C 0.137 175.673 175.510 0.042 0.000 1.236 350 N CA 0.412 53.517 53.050 0.092 0.000 0.879 350 N CB 0.382 38.959 38.487 0.150 0.000 1.088 350 N HN 0.717 nan 8.380 nan 0.000 0.450 351 A N 2.434 125.241 122.820 -0.021 0.000 2.512 351 A HA 0.109 4.429 4.320 -0.000 0.000 0.278 351 A C 0.282 177.871 177.584 0.008 0.000 1.128 351 A CA -0.198 51.816 52.037 -0.039 0.000 0.818 351 A CB -1.196 17.780 19.000 -0.040 0.000 1.044 351 A HN 0.591 nan 8.150 nan 0.000 0.526 352 L N 2.825 124.059 121.223 0.018 0.000 2.464 352 L HA 0.627 4.966 4.340 -0.000 0.000 0.264 352 L C -1.821 175.032 176.870 -0.027 0.000 1.199 352 L CA -1.752 53.066 54.840 -0.036 0.000 0.818 352 L CB -0.897 41.068 42.059 -0.156 0.000 1.102 352 L HN 0.422 nan 8.230 nan 0.000 0.473 353 P HA 0.054 nan 4.420 nan 0.000 0.269 353 P C -0.303 176.990 177.300 -0.011 0.000 1.215 353 P CA -0.149 62.944 63.100 -0.011 0.000 0.780 353 P CB 0.484 32.182 31.700 -0.003 0.000 0.898 354 D N -0.317 120.087 120.400 0.007 0.000 2.265 354 D HA -0.159 4.481 4.640 -0.000 0.000 0.208 354 D C 1.161 177.481 176.300 0.033 0.000 0.977 354 D CA 1.559 55.575 54.000 0.027 0.000 0.871 354 D CB -1.411 39.425 40.800 0.059 0.000 0.925 354 D HN 0.448 nan 8.370 nan 0.000 0.485 355 T N -2.215 112.352 114.554 0.020 0.000 3.227 355 T HA 0.199 4.549 4.350 -0.000 0.000 0.257 355 T C 0.698 175.395 174.700 -0.005 0.000 1.162 355 T CA -0.094 62.018 62.100 0.019 0.000 1.051 355 T CB -0.451 68.426 68.868 0.014 0.000 0.953 355 T HN 0.137 nan 8.240 nan 0.000 0.535 356 L N -0.121 121.087 121.223 -0.025 0.000 2.376 356 L HA 0.669 5.008 4.340 -0.000 0.000 0.258 356 L C -0.795 176.035 176.870 -0.068 0.000 1.013 356 L CA -1.270 53.534 54.840 -0.059 0.000 0.822 356 L CB 2.272 44.265 42.059 -0.111 0.000 1.388 356 L HN -0.185 nan 8.230 nan 0.000 0.413 357 K N 2.010 122.360 120.400 -0.082 0.000 2.535 357 K HA 0.630 4.950 4.320 -0.000 0.000 0.250 357 K C -1.446 175.080 176.600 -0.124 0.000 0.948 357 K CA -0.530 55.709 56.287 -0.079 0.000 0.796 357 K CB 2.691 35.162 32.500 -0.049 0.000 1.216 357 K HN 0.241 nan 8.250 nan 0.000 0.432 358 V N 1.710 121.531 119.914 -0.155 0.000 2.715 358 V HA 0.642 4.762 4.120 -0.000 0.000 0.310 358 V C 0.278 176.259 176.094 -0.188 0.000 1.054 358 V CA -0.596 61.544 62.300 -0.268 0.000 0.928 358 V CB 1.998 33.498 31.823 -0.540 0.000 1.007 358 V HN 1.014 nan 8.190 nan 0.000 0.437 359 T N 0.493 114.861 114.554 -0.309 0.000 2.804 359 T HA 0.832 5.182 4.350 -0.000 0.000 0.290 359 T C -1.394 173.044 174.700 -0.437 0.000 1.099 359 T CA -0.651 61.349 62.100 -0.167 0.000 1.011 359 T CB 1.985 70.809 68.868 -0.073 0.000 1.291 359 T HN 0.367 nan 8.240 nan 0.000 0.523 360 Y N -1.116 119.161 120.300 -0.038 0.000 2.677 360 Y HA 0.719 5.269 4.550 -0.000 0.000 0.334 360 Y C -0.861 175.052 175.900 0.022 0.000 1.154 360 Y CA -0.979 57.111 58.100 -0.017 0.000 1.070 360 Y CB 1.588 40.040 38.460 -0.014 0.000 1.294 360 Y HN 0.716 nan 8.280 nan 0.000 0.475 361 D N -0.805 119.754 120.400 0.265 0.000 2.533 361 D HA 0.739 5.379 4.640 -0.000 0.000 0.247 361 D C -1.397 175.069 176.300 0.276 0.000 1.056 361 D CA -0.713 53.401 54.000 0.190 0.000 1.054 361 D CB 2.119 43.005 40.800 0.144 0.000 1.400 361 D HN 0.352 nan 8.370 nan 0.000 0.533 362 S N -0.047 115.733 115.700 0.134 0.000 2.575 362 S HA 0.522 4.992 4.470 -0.000 0.000 0.278 362 S C -1.289 173.254 174.600 -0.095 0.000 1.139 362 S CA -0.569 57.712 58.200 0.135 0.000 0.954 362 S CB 0.750 64.075 63.200 0.208 0.000 1.054 362 S HN 0.304 nan 8.310 nan 0.000 0.483 363 F N 1.633 121.555 119.950 -0.047 0.000 2.622 363 F HA 0.310 4.837 4.527 -0.000 0.000 0.338 363 F C 0.473 176.218 175.800 -0.091 0.000 1.334 363 F CA -0.649 57.314 58.000 -0.062 0.000 1.179 363 F CB 0.337 39.290 39.000 -0.078 0.000 1.471 363 F HN 0.502 nan 8.300 nan 0.000 0.576 364 c N 0.536 119.174 118.600 0.062 0.000 2.801 364 c HA 0.044 4.614 4.570 -0.000 0.000 0.376 364 c C 2.228 176.347 174.090 0.048 0.000 1.323 364 c CA 0.680 57.033 56.329 0.039 0.000 2.170 364 c CB 0.823 43.355 42.510 0.038 0.000 2.650 364 c HN 0.861 nan 8.230 nan 0.000 0.736 365 S N 1.231 116.950 115.700 0.031 0.000 2.388 365 S HA -0.083 4.387 4.470 -0.000 0.000 0.223 365 S C 0.554 175.167 174.600 0.022 0.000 1.034 365 S CA 0.774 58.989 58.200 0.025 0.000 0.963 365 S CB -0.551 62.660 63.200 0.019 0.000 0.827 365 S HN 0.882 nan 8.310 nan 0.000 0.481 366 N N 2.035 120.746 118.700 0.018 0.000 2.739 366 N HA 0.448 5.187 4.740 -0.000 0.000 0.266 366 N C 1.012 176.523 175.510 0.001 0.000 1.168 366 N CA 0.287 53.344 53.050 0.011 0.000 1.055 366 N CB -0.174 38.320 38.487 0.012 0.000 1.393 366 N HN 0.574 nan 8.380 nan 0.000 0.514 367 G N -0.128 108.675 108.800 0.005 0.000 2.417 367 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.233 367 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.233 367 G C -0.087 174.792 174.900 -0.035 0.000 1.103 367 G CA 0.252 45.347 45.100 -0.009 0.000 0.647 367 G HN 0.564 nan 8.290 nan 0.000 0.512 368 V N 2.232 122.103 119.914 -0.072 0.000 2.529 368 V HA 0.426 4.546 4.120 -0.000 0.000 0.292 368 V C 0.764 176.722 176.094 -0.226 0.000 1.028 368 V CA 1.266 63.443 62.300 -0.204 0.000 1.074 368 V CB 1.193 32.868 31.823 -0.248 0.000 0.958 368 V HN 0.364 nan 8.190 nan 0.000 0.481 369 T N 4.782 119.141 114.554 -0.325 0.000 3.368 369 T HA 0.309 4.659 4.350 -0.000 0.000 0.321 369 T C 0.011 174.414 174.700 -0.494 0.000 1.830 369 T CA -0.246 61.582 62.100 -0.454 0.000 1.494 369 T CB -0.543 68.208 68.868 -0.195 0.000 1.045 369 T HN 0.750 nan 8.240 nan 0.000 0.729 370 H N 1.654 120.468 119.070 -0.428 0.000 2.603 370 H HA 0.602 5.158 4.556 -0.000 0.000 0.370 370 H C 0.571 175.713 175.328 -0.310 0.000 1.225 370 H CA -0.402 55.482 56.048 -0.272 0.000 1.410 370 H CB 0.771 30.440 29.762 -0.155 0.000 1.495 370 H HN 0.226 nan 8.280 nan 0.000 0.602 371 R N 1.507 122.013 120.500 0.010 0.000 2.536 371 R HA 0.154 4.493 4.340 -0.000 0.000 0.269 371 R C -1.283 175.022 176.300 0.008 0.000 1.113 371 R CA -1.073 55.014 56.100 -0.022 0.000 0.948 371 R CB 1.419 31.699 30.300 -0.034 0.000 1.237 371 R HN 0.806 nan 8.270 nan 0.000 0.441 372 N N 2.919 121.633 118.700 0.022 0.000 2.471 372 N HA -0.167 4.573 4.740 -0.000 0.000 0.286 372 N C -1.327 174.193 175.510 0.016 0.000 1.327 372 N CA 1.048 54.111 53.050 0.021 0.000 0.657 372 N CB -0.447 38.045 38.487 0.008 0.000 0.901 372 N HN 0.715 nan 8.380 nan 0.000 0.531 373 Q N -0.615 119.213 119.800 0.047 0.000 2.686 373 Q HA 0.263 4.603 4.340 -0.000 0.000 0.266 373 Q C -2.608 173.460 176.000 0.114 0.000 0.965 373 Q CA -1.079 54.746 55.803 0.037 0.000 0.894 373 Q CB 2.849 31.563 28.738 -0.041 0.000 1.583 373 Q HN 0.114 nan 8.270 nan 0.000 0.405 374 P HA 0.052 nan 4.420 nan 0.000 0.280 374 P C -0.289 176.951 177.300 -0.101 0.000 1.278 374 P CA 0.164 63.352 63.100 0.147 0.000 0.787 374 P CB 0.591 32.351 31.700 0.101 0.000 1.163 375 R N -2.823 117.490 120.500 -0.311 0.000 3.868 375 R HA -0.129 4.211 4.340 -0.000 0.000 0.476 375 R C 0.590 176.626 176.300 -0.441 0.000 0.241 375 R CA 1.236 57.161 56.100 -0.291 0.000 1.496 375 R CB -1.937 28.335 30.300 -0.046 0.000 1.052 375 R HN 0.866 nan 8.270 nan 0.000 0.541 376 G N 0.286 108.907 108.800 -0.299 0.000 5.252 376 G HA2 0.102 4.062 3.960 -0.000 0.000 0.214 376 G HA3 0.102 4.062 3.960 -0.000 0.000 0.214 376 G C -1.252 173.597 174.900 -0.083 0.000 0.817 376 G CA -0.018 44.887 45.100 -0.325 0.000 0.715 376 G HN 0.505 nan 8.290 nan 0.000 0.480 377 D N 0.881 121.224 120.400 -0.095 0.000 2.359 377 D HA 0.153 4.793 4.640 -0.000 0.000 0.273 377 D C -0.127 176.164 176.300 -0.015 0.000 1.362 377 D CA 0.156 54.077 54.000 -0.132 0.000 1.010 377 D CB 0.014 40.775 40.800 -0.065 0.000 1.090 377 D HN 0.057 nan 8.370 nan 0.000 0.521 378 c N 4.372 122.964 118.600 -0.014 0.000 2.647 378 c HA 0.180 4.750 4.570 -0.000 0.000 0.273 378 c C 0.503 174.601 174.090 0.013 0.000 1.088 378 c CA -1.025 55.335 56.329 0.051 0.000 1.529 378 c CB 0.274 42.845 42.510 0.103 0.000 1.810 378 c HN 0.495 nan 8.230 nan 0.000 0.422 379 D N 1.647 122.054 120.400 0.011 0.000 2.856 379 D HA 0.258 4.898 4.640 -0.000 0.000 0.242 379 D C 1.093 177.414 176.300 0.034 0.000 1.226 379 D CA 0.345 54.353 54.000 0.012 0.000 0.855 379 D CB -0.190 40.618 40.800 0.014 0.000 1.065 379 D HN 0.796 nan 8.370 nan 0.000 0.462 380 G N -0.102 108.723 108.800 0.041 0.000 5.302 380 G HA2 0.370 4.330 3.960 -0.000 0.000 0.223 380 G HA3 0.370 4.330 3.960 -0.000 0.000 0.223 380 G C -0.590 174.339 174.900 0.048 0.000 0.832 380 G CA -0.087 45.039 45.100 0.043 0.000 0.714 380 G HN 0.221 nan 8.290 nan 0.000 0.444 381 V N -2.067 117.884 119.914 0.063 0.000 2.932 381 V HA 0.833 4.953 4.120 -0.000 0.000 0.307 381 V C -0.168 175.985 176.094 0.098 0.000 1.147 381 V CA -0.640 61.705 62.300 0.075 0.000 0.951 381 V CB 1.476 33.352 31.823 0.089 0.000 1.031 381 V HN 0.399 nan 8.190 nan 0.000 0.426 382 Q N 3.917 123.772 119.800 0.091 0.000 1.749 382 Q HA 0.490 4.830 4.340 -0.000 0.000 0.148 382 Q C 1.122 177.174 176.000 0.088 0.000 0.429 382 Q CA -0.204 55.661 55.803 0.103 0.000 0.698 382 Q CB 0.763 29.550 28.738 0.082 0.000 0.863 382 Q HN 0.536 nan 8.270 nan 0.000 0.272 383 I N 0.650 121.245 120.570 0.043 0.000 2.404 383 I HA 0.025 4.195 4.170 -0.000 0.000 0.231 383 I C 0.702 176.805 176.117 -0.023 0.000 1.064 383 I CA 0.785 62.089 61.300 0.007 0.000 1.383 383 I CB 0.134 38.124 38.000 -0.017 0.000 1.171 383 I HN 0.339 nan 8.210 nan 0.000 0.422 384 N N 0.548 119.231 118.700 -0.029 0.000 2.679 384 N HA 0.242 4.982 4.740 -0.000 0.000 0.302 384 N C -1.516 173.971 175.510 -0.037 0.000 1.941 384 N CA 0.073 53.094 53.050 -0.048 0.000 0.875 384 N CB 0.781 39.236 38.487 -0.053 0.000 1.278 384 N HN -0.118 nan 8.380 nan 0.000 0.490 385 V N 2.401 122.300 119.914 -0.025 0.000 2.419 385 V HA 0.451 4.571 4.120 -0.000 0.000 0.287 385 V C -2.022 174.064 176.094 -0.013 0.000 1.017 385 V CA -1.458 60.832 62.300 -0.017 0.000 0.844 385 V CB 1.706 33.528 31.823 -0.001 0.000 1.011 385 V HN 0.233 nan 8.190 nan 0.000 0.429 386 P HA 0.272 nan 4.420 nan 0.000 0.271 386 P C -0.278 177.016 177.300 -0.009 0.000 1.233 386 P CA 0.182 63.268 63.100 -0.023 0.000 0.795 386 P CB 0.583 32.263 31.700 -0.034 0.000 0.936 387 I N -4.350 116.213 120.570 -0.010 0.000 3.343 387 I HA 0.690 4.860 4.170 -0.000 0.000 0.315 387 I C -1.134 174.853 176.117 -0.217 0.000 1.153 387 I CA -0.852 60.372 61.300 -0.126 0.000 0.952 387 I CB 2.352 40.237 38.000 -0.192 0.000 1.287 387 I HN 0.042 nan 8.210 nan 0.000 0.472 388 T N 2.178 116.495 114.554 -0.395 0.000 3.031 388 T HA 0.586 4.936 4.350 -0.000 0.000 0.305 388 T C -1.183 173.285 174.700 -0.386 0.000 0.985 388 T CA -0.157 61.787 62.100 -0.260 0.000 1.008 388 T CB 0.725 69.549 68.868 -0.073 0.000 1.005 388 T HN 0.379 nan 8.240 nan 0.000 0.444 389 F N 2.071 122.108 119.950 0.145 0.000 2.477 389 F HA 0.469 4.996 4.527 -0.000 0.000 0.335 389 F C 0.589 176.445 175.800 0.092 0.000 1.130 389 F CA -1.033 57.051 58.000 0.141 0.000 0.948 389 F CB 1.867 40.954 39.000 0.144 0.000 1.154 389 F HN 0.344 nan 8.300 nan 0.000 0.439 390 Q N 3.757 123.700 119.800 0.237 0.000 2.421 390 Q HA 0.404 4.744 4.340 -0.000 0.000 0.242 390 Q C -1.251 174.689 176.000 -0.100 0.000 1.024 390 Q CA -0.502 55.334 55.803 0.055 0.000 0.891 390 Q CB 1.095 29.879 28.738 0.077 0.000 1.222 390 Q HN 0.579 nan 8.270 nan 0.000 0.483 391 V N 5.166 124.856 119.914 -0.374 0.000 2.427 391 V HA 0.188 4.307 4.120 -0.000 0.000 0.268 391 V C -0.126 175.536 176.094 -0.719 0.000 1.046 391 V CA -0.071 61.794 62.300 -0.726 0.000 0.970 391 V CB 0.789 31.960 31.823 -1.088 0.000 1.001 391 V HN 0.639 nan 8.190 nan 0.000 0.476 392 K N 4.455 124.585 120.400 -0.449 0.000 2.449 392 K HA 0.561 4.881 4.320 -0.000 0.000 0.257 392 K C -1.110 175.388 176.600 -0.170 0.000 0.989 392 K CA -0.522 55.625 56.287 -0.233 0.000 0.916 392 K CB 1.980 34.397 32.500 -0.137 0.000 1.136 392 K HN 0.457 nan 8.250 nan 0.000 0.439 393 V N 2.951 122.847 119.914 -0.030 0.000 2.394 393 V HA 0.308 4.428 4.120 -0.000 0.000 0.282 393 V C 0.005 176.111 176.094 0.019 0.000 1.031 393 V CA -0.373 61.933 62.300 0.011 0.000 0.881 393 V CB 1.507 33.434 31.823 0.172 0.000 0.982 393 V HN 0.728 nan 8.190 nan 0.000 0.451 394 T N 3.604 118.146 114.554 -0.021 0.000 2.907 394 T HA 0.820 5.170 4.350 -0.000 0.000 0.292 394 T C -0.130 174.560 174.700 -0.018 0.000 1.043 394 T CA -0.355 61.738 62.100 -0.011 0.000 1.003 394 T CB 2.037 70.894 68.868 -0.019 0.000 1.084 394 T HN 0.900 nan 8.240 nan 0.000 0.483 395 A N 0.722 123.536 122.820 -0.011 0.000 2.346 395 A HA 0.778 5.098 4.320 -0.000 0.000 0.313 395 A C 1.164 178.736 177.584 -0.021 0.000 1.140 395 A CA -0.304 51.723 52.037 -0.016 0.000 0.826 395 A CB 0.993 19.986 19.000 -0.012 0.000 1.332 395 A HN 0.902 nan 8.150 nan 0.000 0.457 396 T N -2.204 112.337 114.554 -0.022 0.000 3.042 396 T HA 0.258 4.608 4.350 -0.000 0.000 0.245 396 T C 0.475 175.140 174.700 -0.059 0.000 1.029 396 T CA 0.885 62.966 62.100 -0.031 0.000 1.120 396 T CB -0.342 68.521 68.868 -0.009 0.000 0.917 396 T HN 0.857 nan 8.240 nan 0.000 0.467 397 E N -0.627 119.542 120.200 -0.053 0.000 2.431 397 E HA 0.503 4.852 4.350 -0.000 0.000 0.268 397 E C -1.250 175.314 176.600 -0.059 0.000 0.953 397 E CA -1.274 55.080 56.400 -0.077 0.000 0.810 397 E CB 0.910 30.563 29.700 -0.078 0.000 1.369 397 E HN -0.007 nan 8.360 nan 0.000 0.440 398 c N 2.969 121.528 118.600 -0.068 0.000 2.551 398 c HA 0.213 4.782 4.570 -0.000 0.000 0.378 398 c C 1.068 175.134 174.090 -0.039 0.000 1.101 398 c CA -0.668 55.629 56.329 -0.053 0.000 1.360 398 c CB -2.760 39.714 42.510 -0.061 0.000 1.895 398 c HN 0.477 nan 8.230 nan 0.000 0.540 399 I N 1.179 121.732 120.570 -0.029 0.000 3.332 399 I HA 0.088 4.258 4.170 -0.000 0.000 0.280 399 I C 0.283 176.386 176.117 -0.022 0.000 1.285 399 I CA 0.129 61.417 61.300 -0.019 0.000 1.347 399 I CB 0.464 38.458 38.000 -0.011 0.000 1.353 399 I HN 0.343 nan 8.210 nan 0.000 0.611 400 Q N 2.309 122.099 119.800 -0.016 0.000 2.222 400 Q HA 0.201 4.541 4.340 -0.000 0.000 0.252 400 Q C -0.536 175.452 176.000 -0.021 0.000 0.926 400 Q CA -0.422 55.369 55.803 -0.020 0.000 0.899 400 Q CB 1.167 29.896 28.738 -0.014 0.000 1.250 400 Q HN 0.644 nan 8.270 nan 0.000 0.441 401 E N 2.514 122.694 120.200 -0.033 0.000 2.585 401 E HA -0.077 4.272 4.350 -0.000 0.000 0.252 401 E C -0.740 175.845 176.600 -0.025 0.000 0.981 401 E CA 0.686 57.060 56.400 -0.044 0.000 0.943 401 E CB 0.380 30.044 29.700 -0.060 0.000 0.923 401 E HN 0.589 nan 8.360 nan 0.000 0.486 402 Q N 1.799 121.591 119.800 -0.013 0.000 2.893 402 Q HA 0.486 4.826 4.340 -0.000 0.000 0.331 402 Q C -1.492 174.519 176.000 0.019 0.000 0.893 402 Q CA -0.980 54.831 55.803 0.013 0.000 0.783 402 Q CB 2.113 30.876 28.738 0.042 0.000 1.440 402 Q HN 0.609 nan 8.270 nan 0.000 0.508 403 S N -0.139 115.593 115.700 0.052 0.000 2.533 403 S HA 0.795 5.265 4.470 -0.000 0.000 0.271 403 S C -1.194 173.478 174.600 0.121 0.000 1.143 403 S CA -0.818 57.393 58.200 0.019 0.000 0.891 403 S CB 0.906 64.074 63.200 -0.053 0.000 1.105 403 S HN 0.617 nan 8.310 nan 0.000 0.468 404 F N 0.529 120.479 119.950 0.000 0.000 2.814 404 F HA 0.945 5.472 4.527 -0.000 0.000 0.353 404 F C -0.986 174.838 175.800 0.040 0.000 1.177 404 F CA -1.195 56.824 58.000 0.030 0.000 1.036 404 F CB 0.894 39.927 39.000 0.054 0.000 1.455 404 F HN 0.717 nan 8.300 nan 0.000 0.520 405 V N -0.533 119.540 119.914 0.266 0.000 2.925 405 V HA 0.670 4.790 4.120 -0.000 0.000 0.311 405 V C -1.174 175.125 176.094 0.341 0.000 1.104 405 V CA -1.025 61.348 62.300 0.121 0.000 0.954 405 V CB 1.780 33.660 31.823 0.095 0.000 1.022 405 V HN 0.873 nan 8.190 nan 0.000 0.427 406 I N 3.456 124.167 120.570 0.235 0.000 2.405 406 I HA 0.545 4.715 4.170 -0.000 0.000 0.280 406 I C 0.259 176.486 176.117 0.182 0.000 1.027 406 I CA -0.360 61.124 61.300 0.307 0.000 1.161 406 I CB 1.152 39.370 38.000 0.363 0.000 1.300 406 I HN 0.659 nan 8.210 nan 0.000 0.463 407 R N 3.667 124.256 120.500 0.148 0.000 2.596 407 R HA 0.779 5.119 4.340 -0.000 0.000 0.267 407 R C -0.176 176.164 176.300 0.068 0.000 1.026 407 R CA -0.804 55.355 56.100 0.097 0.000 1.087 407 R CB 1.609 31.957 30.300 0.080 0.000 1.132 407 R HN 0.607 nan 8.270 nan 0.000 0.531 408 A N 2.775 125.649 122.820 0.091 0.000 2.252 408 A HA 0.297 4.617 4.320 -0.000 0.000 0.309 408 A C 0.166 177.957 177.584 0.344 0.000 1.285 408 A CA -0.625 51.495 52.037 0.139 0.000 0.900 408 A CB 0.123 19.078 19.000 -0.075 0.000 1.157 408 A HN 0.606 nan 8.150 nan 0.000 0.536 409 L N 2.354 123.698 121.223 0.202 0.000 2.667 409 L HA 0.174 4.514 4.340 -0.000 0.000 0.278 409 L C 1.413 178.293 176.870 0.017 0.000 1.217 409 L CA 1.358 56.216 54.840 0.030 0.000 0.935 409 L CB -0.261 41.659 42.059 -0.231 0.000 1.193 409 L HN 1.204 nan 8.230 nan 0.000 0.493 410 G N 3.085 111.771 108.800 -0.189 0.000 2.142 410 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.225 410 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.225 410 G C -0.402 173.965 174.900 -0.888 0.000 1.015 410 G CA -0.530 44.269 45.100 -0.501 0.000 0.716 410 G HN 0.477 nan 8.290 nan 0.000 0.508 411 F N -0.966 118.972 119.950 -0.020 0.000 2.596 411 F HA 0.505 5.032 4.527 -0.000 0.000 0.311 411 F C 1.180 176.967 175.800 -0.021 0.000 1.116 411 F CA -0.282 57.714 58.000 -0.006 0.000 0.957 411 F CB 1.695 40.716 39.000 0.036 0.000 1.250 411 F HN 0.104 nan 8.300 nan 0.000 0.444 412 T N -3.364 111.275 114.554 0.143 0.000 3.113 412 T HA 0.029 4.379 4.350 -0.000 0.000 0.256 412 T C 0.065 174.810 174.700 0.075 0.000 1.131 412 T CA 0.091 62.229 62.100 0.064 0.000 1.074 412 T CB -0.500 68.383 68.868 0.025 0.000 0.944 412 T HN 0.305 nan 8.240 nan 0.000 0.516 413 D N 2.032 122.501 120.400 0.115 0.000 2.346 413 D HA 0.295 4.935 4.640 -0.000 0.000 0.260 413 D C -0.179 176.170 176.300 0.082 0.000 1.252 413 D CA -0.030 54.025 54.000 0.090 0.000 0.895 413 D CB 0.416 41.278 40.800 0.104 0.000 1.097 413 D HN 0.479 nan 8.370 nan 0.000 0.489 414 I N 2.102 122.707 120.570 0.058 0.000 2.331 414 I HA 0.124 4.294 4.170 -0.000 0.000 0.292 414 I C -0.036 176.105 176.117 0.040 0.000 0.998 414 I CA -0.846 60.483 61.300 0.048 0.000 1.267 414 I CB 1.404 39.423 38.000 0.031 0.000 1.386 414 I HN -0.037 nan 8.210 nan 0.000 0.476 415 V N 5.522 125.461 119.914 0.041 0.000 2.294 415 V HA 0.122 4.242 4.120 -0.000 0.000 0.272 415 V C 0.369 176.435 176.094 -0.046 0.000 1.027 415 V CA -0.482 61.828 62.300 0.017 0.000 0.823 415 V CB 0.838 32.693 31.823 0.053 0.000 1.030 415 V HN 0.726 nan 8.190 nan 0.000 0.457 416 T N 4.877 119.391 114.554 -0.068 0.000 2.961 416 T HA 0.143 4.493 4.350 -0.000 0.000 0.270 416 T C 0.270 174.840 174.700 -0.216 0.000 0.926 416 T CA 0.029 62.056 62.100 -0.122 0.000 1.112 416 T CB 0.016 68.835 68.868 -0.082 0.000 0.926 416 T HN 0.343 nan 8.240 nan 0.000 0.612 417 V N 5.153 124.838 119.914 -0.381 0.000 2.387 417 V HA 0.161 4.281 4.120 -0.000 0.000 0.260 417 V C 0.677 176.445 176.094 -0.543 0.000 1.054 417 V CA -0.561 61.410 62.300 -0.547 0.000 0.967 417 V CB 0.528 31.837 31.823 -0.857 0.000 1.036 417 V HN 0.762 nan 8.190 nan 0.000 0.481 418 Q N 3.927 123.522 119.800 -0.341 0.000 2.340 418 Q HA 0.482 4.822 4.340 -0.000 0.000 0.249 418 Q C -1.141 174.718 176.000 -0.234 0.000 0.957 418 Q CA -0.233 55.421 55.803 -0.248 0.000 0.882 418 Q CB 1.537 30.162 28.738 -0.189 0.000 1.235 418 Q HN 0.566 nan 8.270 nan 0.000 0.439 419 V N 5.525 125.349 119.914 -0.151 0.000 2.525 419 V HA 0.389 4.509 4.120 -0.000 0.000 0.299 419 V C -0.724 175.289 176.094 -0.135 0.000 1.034 419 V CA -0.663 61.580 62.300 -0.095 0.000 0.863 419 V CB 1.617 33.476 31.823 0.060 0.000 0.999 419 V HN 0.703 nan 8.190 nan 0.000 0.423 420 L N 6.422 127.517 121.223 -0.214 0.000 2.325 420 L HA 0.510 4.850 4.340 -0.000 0.000 0.281 420 L C -2.550 174.230 176.870 -0.151 0.000 1.004 420 L CA -1.903 52.785 54.840 -0.253 0.000 0.823 420 L CB 2.288 44.025 42.059 -0.536 0.000 1.236 420 L HN 0.381 nan 8.230 nan 0.000 0.415 421 P HA -0.027 nan 4.420 nan 0.000 0.263 421 P C -0.758 176.521 177.300 -0.035 0.000 1.345 421 P CA 0.142 63.211 63.100 -0.051 0.000 1.119 421 P CB 0.128 31.801 31.700 -0.045 0.000 1.363 422 Q N 3.041 122.839 119.800 -0.004 0.000 2.406 422 Q HA 0.214 4.554 4.340 -0.000 0.000 0.242 422 Q C -0.409 175.602 176.000 0.018 0.000 1.036 422 Q CA -0.135 55.692 55.803 0.041 0.000 0.904 422 Q CB 0.177 28.985 28.738 0.117 0.000 1.244 422 Q HN 0.447 nan 8.270 nan 0.000 0.478 423 c N 1.712 120.312 118.600 0.000 0.000 3.071 423 c HA 0.199 4.769 4.570 -0.000 0.000 0.408 423 c C -0.033 174.040 174.090 -0.029 0.000 1.708 423 c CA -0.398 55.919 56.329 -0.020 0.000 2.195 423 c CB -0.140 42.346 42.510 -0.039 0.000 2.436 423 c HN 0.645 nan 8.230 nan 0.000 0.572 424 E N 2.416 122.595 120.200 -0.035 0.000 3.197 424 E HA -0.092 4.257 4.350 -0.000 0.000 0.251 424 E C -0.001 176.576 176.600 -0.038 0.000 0.912 424 E CA 0.456 56.829 56.400 -0.044 0.000 0.960 424 E CB 0.131 29.811 29.700 -0.034 0.000 0.897 424 E HN 0.786 nan 8.360 nan 0.000 0.550 425 c N 5.119 123.681 118.600 -0.063 0.000 2.176 425 c HA 0.496 5.066 4.570 -0.000 0.000 0.329 425 c C 0.518 174.581 174.090 -0.045 0.000 1.113 425 c CA -1.277 55.021 56.329 -0.053 0.000 1.562 425 c CB -0.313 42.150 42.510 -0.078 0.000 2.040 425 c HN 0.467 nan 8.230 nan 0.000 0.460 426 R N 2.851 123.340 120.500 -0.019 0.000 2.543 426 R HA 0.457 4.796 4.340 -0.000 0.000 0.277 426 R C 0.120 176.423 176.300 0.005 0.000 1.074 426 R CA -0.370 55.725 56.100 -0.009 0.000 1.076 426 R CB 0.407 30.706 30.300 -0.003 0.000 0.993 426 R HN 0.874 nan 8.270 nan 0.000 0.459 427 c N 0.392 119.000 118.600 0.015 0.000 3.071 427 c HA 0.291 4.860 4.570 -0.000 0.000 0.408 427 c C 0.542 174.654 174.090 0.036 0.000 1.708 427 c CA -0.051 56.298 56.329 0.034 0.000 2.195 427 c CB 0.510 43.053 42.510 0.055 0.000 2.436 427 c HN 0.842 nan 8.230 nan 0.000 0.572 428 R N 0.592 121.116 120.500 0.040 0.000 2.829 428 R HA 0.471 4.811 4.340 -0.000 0.000 0.267 428 R C -1.977 174.349 176.300 0.045 0.000 1.051 428 R CA -0.270 55.855 56.100 0.041 0.000 0.927 428 R CB 1.321 31.651 30.300 0.050 0.000 1.292 428 R HN 0.535 nan 8.270 nan 0.000 0.445 429 D N -1.235 119.191 120.400 0.044 0.000 2.846 429 D HA 0.041 4.681 4.640 -0.000 0.000 0.273 429 D C -0.450 175.890 176.300 0.066 0.000 1.145 429 D CA -0.620 53.404 54.000 0.040 0.000 1.091 429 D CB 0.187 40.992 40.800 0.008 0.000 1.364 429 D HN 0.506 nan 8.370 nan 0.000 0.613 430 Q N -0.346 119.485 119.800 0.052 0.000 2.211 430 Q HA 0.270 4.610 4.340 -0.000 0.000 0.231 430 Q C 0.213 176.239 176.000 0.043 0.000 0.865 430 Q CA -0.210 55.638 55.803 0.075 0.000 0.997 430 Q CB 0.117 28.908 28.738 0.088 0.000 1.101 430 Q HN 0.367 nan 8.270 nan 0.000 0.468 431 S N -0.049 115.670 115.700 0.031 0.000 2.475 431 S HA 0.079 4.549 4.470 -0.000 0.000 0.224 431 S C 0.944 175.559 174.600 0.025 0.000 1.042 431 S CA -0.172 58.041 58.200 0.022 0.000 0.935 431 S CB 0.029 63.237 63.200 0.014 0.000 0.801 431 S HN 0.303 nan 8.310 nan 0.000 0.509 432 R N 2.720 123.238 120.500 0.030 0.000 2.210 432 R HA 0.307 4.647 4.340 -0.000 0.000 0.338 432 R C -1.248 175.071 176.300 0.033 0.000 1.062 432 R CA 0.119 56.236 56.100 0.029 0.000 0.902 432 R CB -1.393 28.925 30.300 0.030 0.000 1.050 432 R HN 0.151 nan 8.270 nan 0.000 0.461 433 D N 3.605 124.021 120.400 0.026 0.000 3.061 433 D HA -0.139 4.501 4.640 -0.000 0.000 0.252 433 D C -0.187 176.127 176.300 0.024 0.000 1.080 433 D CA 0.547 54.560 54.000 0.022 0.000 0.871 433 D CB -0.446 40.365 40.800 0.018 0.000 1.018 433 D HN 0.759 nan 8.370 nan 0.000 0.425 434 R N -0.016 120.498 120.500 0.024 0.000 2.313 434 R HA 0.028 4.368 4.340 -0.000 0.000 0.199 434 R C 2.042 178.351 176.300 0.015 0.000 0.958 434 R CA 0.872 56.985 56.100 0.023 0.000 1.047 434 R CB 0.212 30.526 30.300 0.023 0.000 0.955 434 R HN 0.446 nan 8.270 nan 0.000 0.481 435 S N 0.791 116.500 115.700 0.016 0.000 2.311 435 S HA -0.008 4.462 4.470 -0.000 0.000 0.209 435 S C 1.125 175.737 174.600 0.020 0.000 1.029 435 S CA 0.075 58.290 58.200 0.026 0.000 0.968 435 S CB -0.464 62.752 63.200 0.026 0.000 0.946 435 S HN 0.075 nan 8.310 nan 0.000 0.450 436 L N 1.177 122.394 121.223 -0.010 0.000 2.503 436 L HA 0.057 4.397 4.340 -0.000 0.000 0.287 436 L C 0.830 177.630 176.870 -0.117 0.000 1.252 436 L CA -0.069 54.726 54.840 -0.074 0.000 0.835 436 L CB -0.356 41.665 42.059 -0.064 0.000 1.099 436 L HN 0.779 nan 8.230 nan 0.000 0.516 437 c N 0.195 118.655 118.600 -0.234 0.000 4.392 437 c HA -0.178 4.392 4.570 -0.000 0.000 0.280 437 c C 1.008 175.000 174.090 -0.163 0.000 1.381 437 c CA 0.342 56.538 56.329 -0.222 0.000 1.871 437 c CB -3.358 39.064 42.510 -0.147 0.000 1.323 437 c HN 1.092 nan 8.230 nan 0.000 0.772 438 H N -1.205 117.824 119.070 -0.069 0.000 2.529 438 H HA -0.132 4.424 4.556 -0.000 0.000 0.319 438 H C 1.516 176.771 175.328 -0.122 0.000 1.072 438 H CA 1.034 57.035 56.048 -0.080 0.000 1.126 438 H CB -1.089 28.630 29.762 -0.072 0.000 1.474 438 H HN 1.507 nan 8.280 nan 0.000 0.406 439 G N -0.233 108.563 108.800 -0.006 0.000 2.328 439 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.256 439 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.256 439 G C 0.722 175.560 174.900 -0.103 0.000 1.014 439 G CA 0.636 45.712 45.100 -0.040 0.000 0.620 439 G HN 0.354 nan 8.290 nan 0.000 0.530 440 K N 1.591 121.855 120.400 -0.226 0.000 3.000 440 K HA 0.579 4.899 4.320 -0.000 0.000 0.239 440 K C 0.629 177.106 176.600 -0.205 0.000 1.269 440 K CA 0.579 56.638 56.287 -0.379 0.000 1.220 440 K CB 0.255 32.041 32.500 -1.189 0.000 1.645 440 K HN 1.268 nan 8.250 nan 0.000 0.423 441 G N 0.748 109.512 108.800 -0.059 0.000 2.340 441 G HA2 0.297 4.257 3.960 -0.000 0.000 0.298 441 G HA3 0.297 4.257 3.960 -0.000 0.000 0.298 441 G C -1.231 173.700 174.900 0.052 0.000 1.498 441 G CA -1.071 44.022 45.100 -0.012 0.000 0.847 441 G HN 0.126 nan 8.290 nan 0.000 0.594 442 F N -0.820 119.120 119.950 -0.016 0.000 2.525 442 F HA 0.928 5.455 4.527 -0.000 0.000 0.346 442 F C -0.305 175.491 175.800 -0.006 0.000 1.072 442 F CA -1.578 56.415 58.000 -0.011 0.000 1.033 442 F CB 1.680 40.676 39.000 -0.007 0.000 1.324 442 F HN 0.529 nan 8.300 nan 0.000 0.491 443 L N 1.200 122.508 121.223 0.142 0.000 2.362 443 L HA 0.623 4.963 4.340 -0.000 0.000 0.271 443 L C -1.513 175.443 176.870 0.143 0.000 1.002 443 L CA -0.575 54.289 54.840 0.040 0.000 0.818 443 L CB 1.935 44.016 42.059 0.037 0.000 1.298 443 L HN 0.857 nan 8.230 nan 0.000 0.420 444 E N 3.804 124.058 120.200 0.091 0.000 2.432 444 E HA 0.282 4.632 4.350 -0.000 0.000 0.272 444 E C -0.808 175.867 176.600 0.126 0.000 0.937 444 E CA -0.400 56.070 56.400 0.116 0.000 0.812 444 E CB 0.935 30.715 29.700 0.134 0.000 1.377 444 E HN 0.736 nan 8.360 nan 0.000 0.399 445 c N 4.250 122.937 118.600 0.145 0.000 3.896 445 c HA 0.068 4.638 4.570 -0.000 0.000 0.300 445 c C 1.480 175.729 174.090 0.264 0.000 1.322 445 c CA 1.357 57.834 56.329 0.246 0.000 2.130 445 c CB -2.212 40.549 42.510 0.418 0.000 1.363 445 c HN 1.284 nan 8.230 nan 0.000 0.642 446 G N 0.456 109.340 108.800 0.141 0.000 4.794 446 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.275 446 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.275 446 G C 0.220 175.165 174.900 0.075 0.000 1.648 446 G CA 0.357 45.514 45.100 0.096 0.000 1.154 446 G HN 1.927 nan 8.290 nan 0.000 0.680 447 I N 0.525 121.158 120.570 0.106 0.000 3.205 447 I HA 0.399 4.569 4.170 -0.000 0.000 0.287 447 I C 0.354 176.457 176.117 -0.024 0.000 1.266 447 I CA -0.114 61.217 61.300 0.052 0.000 1.378 447 I CB 0.115 38.175 38.000 0.101 0.000 1.347 447 I HN 0.480 nan 8.210 nan 0.000 0.603 448 c N 3.810 122.353 118.600 -0.096 0.000 2.369 448 c HA 0.519 5.089 4.570 -0.000 0.000 0.322 448 c C 0.145 174.044 174.090 -0.318 0.000 1.258 448 c CA -0.710 55.488 56.329 -0.219 0.000 1.487 448 c CB 0.725 43.123 42.510 -0.185 0.000 2.165 448 c HN 0.730 nan 8.230 nan 0.000 0.483 449 R N 1.918 122.036 120.500 -0.638 0.000 2.205 449 R HA 0.439 4.779 4.340 -0.000 0.000 0.342 449 R C -0.250 175.690 176.300 -0.601 0.000 1.058 449 R CA -0.264 55.461 56.100 -0.626 0.000 0.904 449 R CB 0.355 30.233 30.300 -0.704 0.000 1.089 449 R HN 0.752 nan 8.270 nan 0.000 0.471 450 c N 1.689 120.157 118.600 -0.221 0.000 2.641 450 c HA 0.166 4.736 4.570 -0.000 0.000 0.318 450 c C 1.070 175.208 174.090 0.081 0.000 1.490 450 c CA -0.744 55.553 56.329 -0.052 0.000 2.260 450 c CB 0.209 42.744 42.510 0.042 0.000 2.103 450 c HN 0.696 nan 8.230 nan 0.000 0.641 451 D N 0.353 120.867 120.400 0.190 0.000 2.403 451 D HA 0.171 4.810 4.640 -0.000 0.000 0.278 451 D C 1.461 177.850 176.300 0.149 0.000 1.230 451 D CA 0.273 54.403 54.000 0.216 0.000 1.062 451 D CB -0.350 40.633 40.800 0.305 0.000 1.119 451 D HN 0.728 nan 8.370 nan 0.000 0.557 452 T N -3.244 111.376 114.554 0.111 0.000 2.904 452 T HA 0.057 4.407 4.350 -0.000 0.000 0.267 452 T C 1.507 176.215 174.700 0.013 0.000 1.059 452 T CA 0.822 62.955 62.100 0.055 0.000 1.137 452 T CB -0.332 68.557 68.868 0.034 0.000 0.879 452 T HN 0.422 nan 8.240 nan 0.000 0.467 453 G N -0.354 108.433 108.800 -0.022 0.000 3.774 453 G HA2 0.491 4.451 3.960 -0.000 0.000 0.287 453 G HA3 0.491 4.451 3.960 -0.000 0.000 0.287 453 G C -0.772 173.847 174.900 -0.469 0.000 1.030 453 G CA -0.547 44.432 45.100 -0.202 0.000 0.824 453 G HN 0.472 nan 8.290 nan 0.000 0.518 454 Y N -0.138 120.175 120.300 0.021 0.000 2.492 454 Y HA 0.664 5.214 4.550 -0.000 0.000 0.346 454 Y C -0.329 175.571 175.900 0.001 0.000 0.997 454 Y CA -1.221 56.889 58.100 0.016 0.000 1.025 454 Y CB 2.288 40.761 38.460 0.021 0.000 1.263 454 Y HN -0.132 nan 8.280 nan 0.000 0.454 455 I N 1.487 122.145 120.570 0.145 0.000 3.006 455 I HA 0.794 4.964 4.170 -0.000 0.000 0.306 455 I C 0.033 176.180 176.117 0.050 0.000 1.250 455 I CA -0.702 60.637 61.300 0.065 0.000 0.996 455 I CB 1.850 39.867 38.000 0.028 0.000 1.261 455 I HN 0.720 nan 8.210 nan 0.000 0.442 456 G N 3.634 112.440 108.800 0.011 0.000 2.362 456 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.656 456 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.656 456 G C -0.026 174.855 174.900 -0.031 0.000 1.376 456 G CA -0.187 44.910 45.100 -0.004 0.000 0.971 456 G HN 0.892 nan 8.290 nan 0.000 0.636 457 K N -0.980 119.397 120.400 -0.038 0.000 2.555 457 K HA 0.115 4.435 4.320 -0.000 0.000 0.193 457 K C 0.582 177.136 176.600 -0.077 0.000 1.032 457 K CA 1.106 57.364 56.287 -0.048 0.000 1.004 457 K CB 0.191 32.671 32.500 -0.034 0.000 0.804 457 K HN 0.239 nan 8.250 nan 0.000 0.496 458 N N 0.504 119.142 118.700 -0.103 0.000 2.475 458 N HA 0.094 4.834 4.740 -0.000 0.000 0.272 458 N C -0.790 174.586 175.510 -0.223 0.000 1.482 458 N CA -0.150 52.784 53.050 -0.193 0.000 0.863 458 N CB 0.616 38.948 38.487 -0.258 0.000 1.400 458 N HN 0.169 nan 8.380 nan 0.000 0.489 459 c N 2.186 120.724 118.600 -0.104 0.000 3.995 459 c HA -0.153 4.417 4.570 -0.000 0.000 0.295 459 c C 2.080 176.203 174.090 0.056 0.000 1.484 459 c CA 1.208 57.523 56.329 -0.023 0.000 2.047 459 c CB -1.738 40.722 42.510 -0.083 0.000 1.292 459 c HN 0.580 nan 8.230 nan 0.000 0.735 460 E N -0.848 119.392 120.200 0.068 0.000 2.170 460 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 460 E C 0.698 177.426 176.600 0.214 0.000 0.981 460 E CA 0.743 57.306 56.400 0.272 0.000 0.830 460 E CB -0.246 29.595 29.700 0.236 0.000 0.775 460 E HN 0.709 nan 8.360 nan 0.000 0.470 461 c N 2.004 120.691 118.600 0.145 0.000 2.527 461 c HA 0.493 5.063 4.570 -0.000 0.000 0.396 461 c C 0.160 174.339 174.090 0.149 0.000 1.289 461 c CA -0.402 55.997 56.329 0.116 0.000 2.047 461 c CB 0.152 42.701 42.510 0.065 0.000 2.568 461 c HN 0.461 nan 8.230 nan 0.000 0.573 462 Q N 0.651 120.512 119.800 0.101 0.000 2.451 462 Q HA 0.399 4.739 4.340 -0.000 0.000 0.281 462 Q C 0.365 176.334 176.000 -0.051 0.000 1.099 462 Q CA -0.292 55.535 55.803 0.040 0.000 0.806 462 Q CB 1.788 30.601 28.738 0.125 0.000 1.419 462 Q HN 0.791 nan 8.270 nan 0.000 0.427 463 T N -0.667 113.795 114.554 -0.153 0.000 3.278 463 T HA 0.253 4.603 4.350 -0.000 0.000 0.251 463 T C -0.186 174.473 174.700 -0.068 0.000 1.039 463 T CA -0.004 62.028 62.100 -0.113 0.000 0.935 463 T CB -0.010 68.762 68.868 -0.160 0.000 1.034 463 T HN 0.440 nan 8.240 nan 0.000 0.575 464 Q N 0.803 120.576 119.800 -0.046 0.000 2.274 464 Q HA 0.550 4.890 4.340 -0.000 0.000 0.268 464 Q C -0.119 175.876 176.000 -0.009 0.000 1.015 464 Q CA -0.874 54.915 55.803 -0.025 0.000 0.775 464 Q CB 2.054 30.778 28.738 -0.024 0.000 1.256 464 Q HN 0.493 nan 8.270 nan 0.000 0.442 465 G N 3.145 111.943 108.800 -0.004 0.000 2.920 465 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.210 465 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.210 465 G C -0.698 174.207 174.900 0.007 0.000 0.806 465 G CA -0.271 44.830 45.100 0.003 0.000 0.853 465 G HN 0.479 nan 8.290 nan 0.000 0.333 466 R N 0.222 120.728 120.500 0.010 0.000 2.739 466 R HA 0.743 5.083 4.340 -0.000 0.000 0.266 466 R C -0.858 175.451 176.300 0.014 0.000 1.044 466 R CA -0.561 55.547 56.100 0.014 0.000 0.885 466 R CB 1.918 32.229 30.300 0.018 0.000 1.260 466 R HN 0.985 nan 8.270 nan 0.000 0.477 467 S N -0.057 115.652 115.700 0.015 0.000 2.744 467 S HA 0.282 4.751 4.470 -0.000 0.000 0.284 467 S C -1.503 173.105 174.600 0.014 0.000 0.979 467 S CA -0.697 57.512 58.200 0.014 0.000 0.870 467 S CB 1.649 64.858 63.200 0.014 0.000 1.094 467 S HN 0.569 nan 8.310 nan 0.000 0.458 468 S N 0.763 116.471 115.700 0.014 0.000 2.811 468 S HA 0.510 4.980 4.470 -0.000 0.000 0.311 468 S C 0.803 175.410 174.600 0.012 0.000 1.152 468 S CA -0.779 57.429 58.200 0.013 0.000 0.864 468 S CB 1.774 64.982 63.200 0.014 0.000 1.226 468 S HN 0.800 nan 8.310 nan 0.000 0.541 469 Q N 0.801 120.608 119.800 0.011 0.000 1.922 469 Q HA 0.105 4.445 4.340 -0.000 0.000 0.201 469 Q C 0.742 176.749 176.000 0.012 0.000 0.979 469 Q CA 1.333 57.142 55.803 0.011 0.000 0.841 469 Q CB -0.148 28.595 28.738 0.009 0.000 0.903 469 Q HN 0.690 nan 8.270 nan 0.000 0.431 470 E N 0.247 120.454 120.200 0.011 0.000 2.444 470 E HA 0.079 4.429 4.350 -0.000 0.000 0.191 470 E C 1.572 178.180 176.600 0.014 0.000 1.041 470 E CA -0.234 56.173 56.400 0.012 0.000 0.883 470 E CB 0.348 30.054 29.700 0.009 0.000 1.024 470 E HN 0.455 nan 8.360 nan 0.000 0.470 471 L N 0.464 121.696 121.223 0.014 0.000 2.275 471 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 471 L C 1.315 178.195 176.870 0.017 0.000 1.119 471 L CA 1.019 55.868 54.840 0.014 0.000 0.790 471 L CB -0.171 41.896 42.059 0.014 0.000 0.919 471 L HN 0.095 nan 8.230 nan 0.000 0.443 472 E N 0.120 120.331 120.200 0.019 0.000 2.382 472 E HA -0.020 4.330 4.350 -0.000 0.000 0.190 472 E C 1.728 178.349 176.600 0.034 0.000 1.125 472 E CA 0.201 56.616 56.400 0.025 0.000 0.929 472 E CB 0.075 29.789 29.700 0.022 0.000 1.053 472 E HN 0.458 nan 8.360 nan 0.000 0.475 473 G N 0.957 109.777 108.800 0.033 0.000 2.499 473 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.213 473 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.213 473 G C 1.435 176.376 174.900 0.069 0.000 1.230 473 G CA 0.225 45.349 45.100 0.039 0.000 0.813 473 G HN 0.293 nan 8.290 nan 0.000 0.542 474 S N -0.800 114.944 115.700 0.073 0.000 2.660 474 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 474 S C 1.843 176.546 174.600 0.170 0.000 0.966 474 S CA 0.671 58.946 58.200 0.125 0.000 0.940 474 S CB -0.759 62.477 63.200 0.060 0.000 0.773 474 S HN 0.402 nan 8.310 nan 0.000 0.535 475 c N 2.216 120.891 118.600 0.126 0.000 2.562 475 c HA 0.322 4.892 4.570 -0.000 0.000 0.266 475 c C 0.928 175.181 174.090 0.272 0.000 1.382 475 c CA -0.379 56.017 56.329 0.113 0.000 1.742 475 c CB -1.475 41.067 42.510 0.053 0.000 1.812 475 c HN 0.673 nan 8.230 nan 0.000 0.559 476 R N -0.145 120.531 120.500 0.292 0.000 2.575 476 R HA 0.393 4.732 4.340 -0.000 0.000 0.293 476 R C 0.829 177.075 176.300 -0.090 0.000 0.983 476 R CA -0.579 55.617 56.100 0.161 0.000 0.887 476 R CB 0.705 31.029 30.300 0.041 0.000 1.184 476 R HN 0.262 nan 8.270 nan 0.000 0.445 477 K N 0.921 120.889 120.400 -0.720 0.000 2.074 477 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 477 K C -0.332 176.056 176.600 -0.352 0.000 1.048 477 K CA 1.792 57.476 56.287 -1.005 0.000 0.926 477 K CB -0.316 31.590 32.500 -0.989 0.000 0.713 477 K HN 0.793 nan 8.250 nan 0.000 0.444 478 D N -1.911 118.355 120.400 -0.222 0.000 2.610 478 D HA 0.061 4.701 4.640 -0.000 0.000 0.271 478 D C -0.002 176.255 176.300 -0.072 0.000 1.174 478 D CA -0.925 53.005 54.000 -0.117 0.000 0.949 478 D CB 0.451 41.187 40.800 -0.107 0.000 1.430 478 D HN -0.094 nan 8.370 nan 0.000 0.467 479 N N -0.622 118.050 118.700 -0.047 0.000 2.223 479 N HA -0.125 4.615 4.740 -0.000 0.000 0.185 479 N C -0.053 175.439 175.510 -0.030 0.000 1.016 479 N CA 1.057 54.089 53.050 -0.030 0.000 0.863 479 N CB -0.257 38.216 38.487 -0.023 0.000 0.983 479 N HN 0.343 nan 8.380 nan 0.000 0.429 480 N N -0.664 118.013 118.700 -0.038 0.000 2.376 480 N HA 0.080 4.820 4.740 -0.000 0.000 0.249 480 N C -1.096 174.389 175.510 -0.041 0.000 1.140 480 N CA -0.034 52.995 53.050 -0.034 0.000 0.870 480 N CB 0.519 38.988 38.487 -0.030 0.000 1.124 480 N HN 0.045 nan 8.380 nan 0.000 0.505 481 S N 0.003 115.673 115.700 -0.050 0.000 2.532 481 S HA 0.512 4.982 4.470 -0.000 0.000 0.301 481 S C -0.216 174.365 174.600 -0.033 0.000 1.083 481 S CA -0.840 57.326 58.200 -0.057 0.000 1.025 481 S CB 1.059 64.197 63.200 -0.104 0.000 1.056 481 S HN 0.246 nan 8.310 nan 0.000 0.494 482 I N 4.608 125.164 120.570 -0.023 0.000 2.575 482 I HA 0.332 4.501 4.170 -0.000 0.000 0.285 482 I C -0.088 176.034 176.117 0.007 0.000 1.085 482 I CA -0.751 60.546 61.300 -0.005 0.000 1.403 482 I CB 0.465 38.464 38.000 -0.001 0.000 1.409 482 I HN 0.675 nan 8.210 nan 0.000 0.557 483 I N 7.318 127.899 120.570 0.019 0.000 2.821 483 I HA -0.162 4.008 4.170 -0.000 0.000 0.294 483 I C 1.103 177.242 176.117 0.037 0.000 1.210 483 I CA 0.171 61.493 61.300 0.036 0.000 1.430 483 I CB -0.144 37.875 38.000 0.031 0.000 1.356 483 I HN 0.870 nan 8.210 nan 0.000 0.563 484 c N 4.592 123.233 118.600 0.069 0.000 4.297 484 c HA -0.233 4.337 4.570 -0.000 0.000 0.290 484 c C 1.433 175.539 174.090 0.027 0.000 1.444 484 c CA 0.703 57.062 56.329 0.050 0.000 1.982 484 c CB -3.151 39.342 42.510 -0.027 0.000 1.276 484 c HN 1.088 nan 8.230 nan 0.000 0.797 485 S N -1.740 113.980 115.700 0.034 0.000 3.477 485 S HA -0.050 4.420 4.470 -0.000 0.000 0.357 485 S C 1.098 175.696 174.600 -0.004 0.000 1.083 485 S CA 1.347 59.550 58.200 0.005 0.000 1.042 485 S CB -1.590 61.612 63.200 0.002 0.000 0.911 485 S HN 2.609 nan 8.310 nan 0.000 0.490 486 G N 0.383 109.186 108.800 0.005 0.000 2.907 486 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.242 486 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.242 486 G C 0.142 175.041 174.900 -0.002 0.000 1.448 486 G CA -0.281 44.833 45.100 0.023 0.000 0.911 486 G HN 1.529 nan 8.290 nan 0.000 0.553 487 L N -2.171 119.104 121.223 0.086 0.000 3.843 487 L HA -0.090 4.250 4.340 -0.000 0.000 0.411 487 L C 0.997 177.626 176.870 -0.402 0.000 1.205 487 L CA 1.101 56.012 54.840 0.119 0.000 0.945 487 L CB -1.893 40.196 42.059 0.049 0.000 1.929 487 L HN 2.246 nan 8.230 nan 0.000 0.934 488 G N 0.189 108.536 108.800 -0.754 0.000 2.524 488 G HA2 0.495 4.455 3.960 -0.000 0.000 0.306 488 G HA3 0.495 4.455 3.960 -0.000 0.000 0.306 488 G C -1.298 173.367 174.900 -0.391 0.000 1.420 488 G CA -0.371 44.251 45.100 -0.797 0.000 1.086 488 G HN 0.181 nan 8.290 nan 0.000 0.591 489 D N 0.308 120.557 120.400 -0.251 0.000 2.274 489 D HA 0.431 5.071 4.640 -0.000 0.000 0.239 489 D C 0.430 176.721 176.300 -0.015 0.000 1.104 489 D CA -0.677 53.330 54.000 0.012 0.000 0.840 489 D CB 1.500 42.398 40.800 0.163 0.000 1.100 489 D HN 0.411 nan 8.370 nan 0.000 0.477 490 c N 3.121 121.718 118.600 -0.004 0.000 2.585 490 c HA 0.547 5.117 4.570 -0.000 0.000 0.406 490 c C -0.279 173.813 174.090 0.003 0.000 1.312 490 c CA -0.113 56.212 56.329 -0.007 0.000 1.924 490 c CB -0.821 41.691 42.510 0.004 0.000 2.578 490 c HN 0.502 nan 8.230 nan 0.000 0.580 491 V N 6.336 126.248 119.914 -0.003 0.000 2.569 491 V HA 0.362 4.482 4.120 -0.000 0.000 0.301 491 V C 0.260 176.356 176.094 0.003 0.000 1.044 491 V CA -0.595 61.707 62.300 0.004 0.000 0.874 491 V CB 1.195 33.022 31.823 0.006 0.000 1.002 491 V HN 1.159 nan 8.190 nan 0.000 0.424 492 c N 5.049 123.654 118.600 0.009 0.000 4.209 492 c HA -0.069 4.501 4.570 -0.000 0.000 0.305 492 c C 1.801 175.894 174.090 0.004 0.000 1.339 492 c CA 1.538 57.874 56.329 0.013 0.000 2.062 492 c CB -1.899 40.624 42.510 0.021 0.000 1.307 492 c HN 2.024 nan 8.230 nan 0.000 0.706 493 G N -0.394 108.407 108.800 0.001 0.000 2.900 493 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.223 493 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.223 493 G C 0.064 174.950 174.900 -0.024 0.000 1.293 493 G CA 1.059 46.156 45.100 -0.005 0.000 0.792 493 G HN 1.120 nan 8.290 nan 0.000 0.527 494 Q N 0.207 119.984 119.800 -0.039 0.000 2.162 494 Q HA 0.699 5.039 4.340 -0.000 0.000 0.197 494 Q C -0.179 175.781 176.000 -0.067 0.000 1.013 494 Q CA -0.404 55.353 55.803 -0.076 0.000 1.040 494 Q CB 1.142 29.835 28.738 -0.074 0.000 1.114 494 Q HN 0.440 nan 8.270 nan 0.000 0.547 495 c N 0.531 119.075 118.600 -0.093 0.000 2.493 495 c HA 0.608 5.178 4.570 -0.000 0.000 0.326 495 c C -0.755 173.292 174.090 -0.071 0.000 1.200 495 c CA -0.745 55.535 56.329 -0.081 0.000 1.739 495 c CB 1.003 43.456 42.510 -0.096 0.000 2.300 495 c HN 0.742 nan 8.230 nan 0.000 0.500 496 L N 3.080 124.260 121.223 -0.071 0.000 2.356 496 L HA 0.471 4.811 4.340 -0.000 0.000 0.264 496 L C -0.132 176.674 176.870 -0.106 0.000 1.029 496 L CA -0.031 54.777 54.840 -0.053 0.000 0.897 496 L CB -0.171 41.879 42.059 -0.015 0.000 1.256 496 L HN 0.870 nan 8.230 nan 0.000 0.444 497 c N 3.203 121.744 118.600 -0.099 0.000 2.563 497 c HA 0.066 4.635 4.570 -0.000 0.000 0.411 497 c C 1.062 175.108 174.090 -0.073 0.000 1.386 497 c CA -0.144 56.100 56.329 -0.140 0.000 1.703 497 c CB -1.302 41.179 42.510 -0.048 0.000 2.596 497 c HN 0.738 nan 8.230 nan 0.000 0.605 498 H N 0.708 119.785 119.070 0.012 0.000 2.730 498 H HA 0.374 4.930 4.556 -0.000 0.000 0.376 498 H C 0.862 176.199 175.328 0.016 0.000 1.299 498 H CA 0.403 56.458 56.048 0.011 0.000 1.447 498 H CB 0.472 30.238 29.762 0.006 0.000 1.493 498 H HN 0.769 nan 8.280 nan 0.000 0.619 499 T N -1.427 113.221 114.554 0.157 0.000 2.888 499 T HA 0.436 4.786 4.350 -0.000 0.000 0.284 499 T C -0.192 174.547 174.700 0.064 0.000 1.017 499 T CA -1.078 61.075 62.100 0.088 0.000 1.022 499 T CB 1.720 70.626 68.868 0.063 0.000 1.013 499 T HN 0.435 nan 8.240 nan 0.000 0.465 500 S N 1.475 117.204 115.700 0.049 0.000 2.605 500 S HA 0.382 4.852 4.470 -0.000 0.000 0.308 500 S C -0.540 174.074 174.600 0.023 0.000 1.113 500 S CA -0.824 57.395 58.200 0.032 0.000 1.049 500 S CB 0.540 63.758 63.200 0.030 0.000 1.001 500 S HN 0.829 nan 8.310 nan 0.000 0.480 501 D N 3.648 124.058 120.400 0.016 0.000 3.032 501 D HA 0.199 4.839 4.640 -0.000 0.000 0.241 501 D C -0.232 176.074 176.300 0.009 0.000 1.196 501 D CA -0.210 53.798 54.000 0.012 0.000 0.927 501 D CB -0.212 40.593 40.800 0.009 0.000 1.129 501 D HN 0.151 nan 8.370 nan 0.000 0.458 502 V N 0.785 120.705 119.914 0.010 0.000 2.487 502 V HA 0.333 4.453 4.120 -0.000 0.000 0.298 502 V C -2.207 173.890 176.094 0.005 0.000 1.028 502 V CA -2.103 60.201 62.300 0.006 0.000 0.860 502 V CB 1.984 33.810 31.823 0.005 0.000 0.991 502 V HN 0.069 nan 8.190 nan 0.000 0.427 503 P HA 0.119 nan 4.420 nan 0.000 0.257 503 P C 1.070 178.368 177.300 -0.004 0.000 1.162 503 P CA 1.920 65.021 63.100 0.001 0.000 0.762 503 P CB 0.210 31.910 31.700 0.001 0.000 0.753 504 G N 2.586 111.382 108.800 -0.007 0.000 2.812 504 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 504 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 504 G C 0.386 175.274 174.900 -0.020 0.000 1.275 504 G CA 0.271 45.358 45.100 -0.023 0.000 0.769 504 G HN 0.723 nan 8.290 nan 0.000 0.527 505 K N 0.757 121.152 120.400 -0.008 0.000 2.543 505 K HA 0.377 4.697 4.320 -0.000 0.000 0.279 505 K C -0.519 176.096 176.600 0.025 0.000 1.001 505 K CA 0.793 57.083 56.287 0.004 0.000 1.088 505 K CB 0.199 32.704 32.500 0.009 0.000 0.863 505 K HN 1.331 nan 8.250 nan 0.000 0.488 506 L N 6.181 127.432 121.223 0.047 0.000 2.751 506 L HA 0.396 4.736 4.340 -0.000 0.000 0.261 506 L C -1.681 175.278 176.870 0.149 0.000 0.927 506 L CA -0.462 54.437 54.840 0.098 0.000 0.968 506 L CB 1.067 43.193 42.059 0.111 0.000 1.432 506 L HN 0.534 nan 8.230 nan 0.000 0.439 507 I N 5.139 125.773 120.570 0.107 0.000 2.577 507 I HA 0.569 4.739 4.170 -0.000 0.000 0.300 507 I C -0.329 175.876 176.117 0.147 0.000 0.990 507 I CA -0.273 61.046 61.300 0.032 0.000 1.283 507 I CB 1.281 39.272 38.000 -0.016 0.000 1.411 507 I HN 0.832 nan 8.210 nan 0.000 0.515 508 Y N 1.174 121.463 120.300 -0.017 0.000 2.702 508 Y HA 0.708 5.258 4.550 -0.000 0.000 0.336 508 Y C -0.466 175.417 175.900 -0.028 0.000 1.203 508 Y CA -0.995 57.091 58.100 -0.022 0.000 1.072 508 Y CB 0.994 39.446 38.460 -0.012 0.000 1.327 508 Y HN 0.965 nan 8.280 nan 0.000 0.456 509 G N 0.885 109.772 108.800 0.145 0.000 2.406 509 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.680 509 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.680 509 G C -0.413 174.460 174.900 -0.045 0.000 1.338 509 G CA -0.277 44.854 45.100 0.051 0.000 0.941 509 G HN 0.900 nan 8.290 nan 0.000 0.633 510 Q N -0.642 119.078 119.800 -0.133 0.000 2.061 510 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 510 Q C 1.308 177.004 176.000 -0.508 0.000 0.984 510 Q CA 2.324 57.879 55.803 -0.414 0.000 0.846 510 Q CB -0.040 28.254 28.738 -0.740 0.000 0.902 510 Q HN 0.694 nan 8.270 nan 0.000 0.421 511 Y N -2.047 118.232 120.300 -0.035 0.000 2.658 511 Y HA 0.270 4.820 4.550 -0.000 0.000 0.276 511 Y C 0.166 176.019 175.900 -0.078 0.000 1.167 511 Y CA -0.925 57.145 58.100 -0.050 0.000 1.230 511 Y CB 0.020 38.455 38.460 -0.042 0.000 1.144 511 Y HN 0.036 nan 8.280 nan 0.000 0.529 512 c N 2.919 121.518 118.600 -0.001 0.000 4.056 512 c HA -0.204 4.366 4.570 -0.000 0.000 0.302 512 c C 1.819 175.862 174.090 -0.079 0.000 1.356 512 c CA 1.068 57.356 56.329 -0.068 0.000 2.074 512 c CB -1.655 40.799 42.510 -0.094 0.000 1.328 512 c HN 0.744 nan 8.230 nan 0.000 0.684 513 E N -1.770 118.379 120.200 -0.085 0.000 2.364 513 E HA 0.058 4.408 4.350 -0.000 0.000 0.196 513 E C 0.582 177.063 176.600 -0.197 0.000 0.990 513 E CA 0.354 56.698 56.400 -0.092 0.000 0.886 513 E CB 0.030 29.711 29.700 -0.030 0.000 0.866 513 E HN 0.700 nan 8.360 nan 0.000 0.493 514 c N 3.075 121.437 118.600 -0.396 0.000 2.365 514 c HA 0.496 5.065 4.570 -0.000 0.000 0.351 514 c C -0.220 173.457 174.090 -0.689 0.000 1.240 514 c CA -0.574 55.380 56.329 -0.625 0.000 2.062 514 c CB 0.499 42.367 42.510 -1.070 0.000 2.387 514 c HN 0.522 nan 8.230 nan 0.000 0.537 515 D N -0.083 120.105 120.400 -0.353 0.000 2.592 515 D HA 0.447 5.087 4.640 -0.000 0.000 0.263 515 D C -0.291 176.000 176.300 -0.014 0.000 1.132 515 D CA -0.484 53.426 54.000 -0.151 0.000 0.996 515 D CB 0.729 41.476 40.800 -0.089 0.000 1.442 515 D HN 0.446 nan 8.370 nan 0.000 0.486 516 T N -2.378 112.178 114.554 0.005 0.000 3.256 516 T HA 0.462 4.812 4.350 -0.000 0.000 0.249 516 T C 0.725 175.373 174.700 -0.087 0.000 0.975 516 T CA -0.384 61.664 62.100 -0.086 0.000 1.011 516 T CB -1.095 67.669 68.868 -0.174 0.000 1.127 516 T HN 0.533 nan 8.240 nan 0.000 0.543 517 I N -3.877 116.664 120.570 -0.048 0.000 5.183 517 I HA 0.512 4.682 4.170 -0.000 0.000 0.343 517 I C -0.031 176.076 176.117 -0.017 0.000 1.230 517 I CA -0.228 61.052 61.300 -0.033 0.000 1.473 517 I CB 0.091 38.078 38.000 -0.023 0.000 1.569 517 I HN 0.078 nan 8.210 nan 0.000 0.544 518 N N 1.778 120.469 118.700 -0.015 0.000 3.229 518 N HA 0.447 5.187 4.740 -0.000 0.000 0.275 518 N C -0.895 174.621 175.510 0.010 0.000 1.225 518 N CA -0.097 52.950 53.050 -0.004 0.000 1.119 518 N CB 0.118 38.598 38.487 -0.012 0.000 1.392 518 N HN 0.468 nan 8.380 nan 0.000 0.520 519 c N -0.431 118.181 118.600 0.020 0.000 3.292 519 c HA 0.470 5.040 4.570 -0.000 0.000 0.369 519 c C 0.365 174.481 174.090 0.044 0.000 2.360 519 c CA -0.906 55.446 56.329 0.039 0.000 1.526 519 c CB 0.984 43.523 42.510 0.048 0.000 2.784 519 c HN 0.502 nan 8.230 nan 0.000 0.490 520 E N 0.771 121.006 120.200 0.058 0.000 2.283 520 E HA 0.336 4.686 4.350 -0.000 0.000 0.278 520 E C -0.113 176.537 176.600 0.082 0.000 1.027 520 E CA -0.120 56.320 56.400 0.067 0.000 0.843 520 E CB 0.618 30.363 29.700 0.076 0.000 1.062 520 E HN 0.356 nan 8.360 nan 0.000 0.401 521 R N 2.248 122.798 120.500 0.084 0.000 2.517 521 R HA 0.377 4.717 4.340 -0.000 0.000 0.250 521 R C -1.010 175.405 176.300 0.192 0.000 1.213 521 R CA -0.467 55.696 56.100 0.105 0.000 1.146 521 R CB 0.669 31.008 30.300 0.064 0.000 1.279 521 R HN 0.595 nan 8.270 nan 0.000 0.597 522 Y N 0.140 120.454 120.300 0.024 0.000 2.273 522 Y HA 0.020 4.569 4.550 -0.000 0.000 0.316 522 Y C -1.014 174.901 175.900 0.026 0.000 1.294 522 Y CA -0.663 57.455 58.100 0.029 0.000 1.198 522 Y CB 0.702 39.186 38.460 0.040 0.000 1.299 522 Y HN 0.838 nan 8.280 nan 0.000 0.413 523 N N 4.260 122.787 118.700 -0.289 0.000 2.725 523 N HA -0.163 4.577 4.740 -0.000 0.000 0.251 523 N C 0.565 176.077 175.510 0.002 0.000 1.031 523 N CA 2.318 55.281 53.050 -0.145 0.000 0.720 523 N CB -1.109 37.364 38.487 -0.023 0.000 0.930 523 N HN 1.869 nan 8.380 nan 0.000 0.543 524 G N -0.569 108.228 108.800 -0.006 0.000 2.283 524 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.280 524 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.280 524 G C -0.269 174.655 174.900 0.041 0.000 1.029 524 G CA 0.936 46.045 45.100 0.015 0.000 0.840 524 G HN 0.743 nan 8.290 nan 0.000 0.505 525 Q N -1.524 118.321 119.800 0.075 0.000 2.379 525 Q HA 0.514 4.854 4.340 -0.000 0.000 0.278 525 Q C 0.161 176.209 176.000 0.081 0.000 1.068 525 Q CA -0.863 54.985 55.803 0.076 0.000 0.816 525 Q CB 2.928 31.721 28.738 0.091 0.000 1.387 525 Q HN 0.691 nan 8.270 nan 0.000 0.413 526 V N -1.340 118.602 119.914 0.047 0.000 2.450 526 V HA 0.061 4.181 4.120 -0.000 0.000 0.281 526 V C 0.565 176.680 176.094 0.034 0.000 1.019 526 V CA -0.521 61.800 62.300 0.035 0.000 1.062 526 V CB -0.070 31.756 31.823 0.006 0.000 0.979 526 V HN 1.069 nan 8.190 nan 0.000 0.477 527 c N 3.335 121.965 118.600 0.050 0.000 4.259 527 c HA -0.086 4.483 4.570 -0.000 0.000 0.294 527 c C 1.671 175.764 174.090 0.005 0.000 1.459 527 c CA 1.150 57.501 56.329 0.037 0.000 2.016 527 c CB -2.363 40.158 42.510 0.019 0.000 1.274 527 c HN 2.672 nan 8.230 nan 0.000 0.792 528 G N -1.536 107.292 108.800 0.047 0.000 2.203 528 G HA2 0.402 4.362 3.960 -0.000 0.000 0.231 528 G HA3 0.402 4.362 3.960 -0.000 0.000 0.231 528 G C 0.967 175.868 174.900 0.002 0.000 1.058 528 G CA 0.534 45.633 45.100 -0.001 0.000 0.781 528 G HN 2.809 nan 8.290 nan 0.000 0.496 529 G N -0.452 108.368 108.800 0.033 0.000 2.894 529 G HA2 0.074 4.034 3.960 -0.000 0.000 0.247 529 G HA3 0.074 4.034 3.960 -0.000 0.000 0.247 529 G C -0.535 174.366 174.900 0.001 0.000 1.442 529 G CA 0.318 45.429 45.100 0.018 0.000 0.897 529 G HN 0.847 nan 8.290 nan 0.000 0.550 530 P HA -0.001 nan 4.420 nan 0.000 0.223 530 P C 1.863 179.170 177.300 0.012 0.000 1.151 530 P CA 1.970 65.086 63.100 0.027 0.000 0.787 530 P CB -0.259 31.448 31.700 0.012 0.000 0.788 531 G N 0.921 109.683 108.800 -0.063 0.000 2.464 531 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.214 531 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.214 531 G C 1.802 176.530 174.900 -0.287 0.000 1.218 531 G CA 0.462 45.458 45.100 -0.173 0.000 0.794 531 G HN 0.169 nan 8.290 nan 0.000 0.542 532 R N 0.149 120.473 120.500 -0.293 0.000 2.082 532 R HA 0.169 4.509 4.340 -0.000 0.000 0.228 532 R C 1.524 177.681 176.300 -0.239 0.000 1.140 532 R CA 1.155 56.910 56.100 -0.576 0.000 0.920 532 R CB -0.470 29.587 30.300 -0.405 0.000 0.828 532 R HN 0.422 nan 8.270 nan 0.000 0.430 533 G N -1.106 107.645 108.800 -0.081 0.000 2.975 533 G HA2 0.622 4.582 3.960 -0.000 0.000 0.291 533 G HA3 0.622 4.582 3.960 -0.000 0.000 0.291 533 G C -1.529 173.328 174.900 -0.072 0.000 1.334 533 G CA -0.700 44.344 45.100 -0.095 0.000 0.843 533 G HN 0.019 nan 8.290 nan 0.000 0.548 534 L N -1.221 119.965 121.223 -0.062 0.000 2.303 534 L HA 0.631 4.971 4.340 -0.000 0.000 0.256 534 L C -0.846 176.048 176.870 0.040 0.000 1.034 534 L CA -0.939 53.899 54.840 -0.002 0.000 0.832 534 L CB 2.515 44.635 42.059 0.102 0.000 1.403 534 L HN 0.677 nan 8.230 nan 0.000 0.419 535 c N 0.924 119.422 118.600 -0.169 0.000 2.382 535 c HA 0.725 5.295 4.570 -0.000 0.000 0.327 535 c C -1.062 172.775 174.090 -0.421 0.000 1.250 535 c CA -0.524 55.724 56.329 -0.135 0.000 1.707 535 c CB -0.119 42.318 42.510 -0.121 0.000 2.272 535 c HN 0.539 nan 8.230 nan 0.000 0.506 536 F N 4.683 124.753 119.950 0.199 0.000 3.164 536 F HA 0.322 4.849 4.527 -0.000 0.000 0.375 536 F C 0.523 176.442 175.800 0.199 0.000 1.257 536 F CA -0.466 57.700 58.000 0.276 0.000 1.171 536 F CB 0.847 40.171 39.000 0.540 0.000 1.588 536 F HN 0.934 nan 8.300 nan 0.000 0.604 537 c N 2.955 121.699 118.600 0.241 0.000 4.209 537 c HA 0.049 4.619 4.570 -0.000 0.000 0.305 537 c C 1.511 175.658 174.090 0.096 0.000 1.339 537 c CA 1.386 57.766 56.329 0.085 0.000 2.062 537 c CB -1.747 40.795 42.510 0.053 0.000 1.307 537 c HN 1.888 nan 8.230 nan 0.000 0.706 538 G N 0.582 109.434 108.800 0.086 0.000 3.206 538 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 538 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 538 G C 0.199 175.165 174.900 0.110 0.000 1.350 538 G CA 0.557 45.703 45.100 0.077 0.000 0.836 538 G HN 0.873 nan 8.290 nan 0.000 0.548 539 K N 0.627 121.121 120.400 0.156 0.000 2.237 539 K HA 0.493 4.813 4.320 -0.000 0.000 0.270 539 K C -0.219 176.503 176.600 0.204 0.000 1.015 539 K CA -0.099 56.288 56.287 0.167 0.000 0.949 539 K CB 1.111 33.723 32.500 0.186 0.000 0.976 539 K HN 0.309 nan 8.250 nan 0.000 0.472 540 c N 2.557 121.246 118.600 0.148 0.000 2.285 540 c HA 0.274 4.844 4.570 -0.000 0.000 0.335 540 c C 0.470 174.630 174.090 0.117 0.000 1.267 540 c CA -0.779 55.633 56.329 0.138 0.000 1.762 540 c CB -0.400 42.157 42.510 0.079 0.000 2.365 540 c HN 0.702 nan 8.230 nan 0.000 0.527 541 R N 2.373 122.961 120.500 0.147 0.000 2.593 541 R HA 0.243 4.583 4.340 -0.000 0.000 0.282 541 R C -0.400 175.862 176.300 -0.064 0.000 1.300 541 R CA -0.275 55.828 56.100 0.004 0.000 1.221 541 R CB 0.070 30.302 30.300 -0.113 0.000 1.157 541 R HN 0.746 nan 8.270 nan 0.000 0.555 542 c N 2.248 120.823 118.600 -0.041 0.000 2.653 542 c HA 0.053 4.622 4.570 -0.000 0.000 0.421 542 c C 1.167 175.217 174.090 -0.067 0.000 1.334 542 c CA -0.485 55.815 56.329 -0.048 0.000 1.885 542 c CB -0.723 41.818 42.510 0.053 0.000 2.645 542 c HN 0.686 nan 8.230 nan 0.000 0.601 543 H N 2.424 121.448 119.070 -0.077 0.000 2.935 543 H HA 0.124 4.680 4.556 -0.000 0.000 0.376 543 H C -1.981 173.397 175.328 0.083 0.000 1.307 543 H CA 0.269 56.283 56.048 -0.056 0.000 1.442 543 H CB -0.154 29.501 29.762 -0.179 0.000 1.427 543 H HN 0.459 nan 8.280 nan 0.000 0.615 544 P HA 0.028 nan 4.420 nan 0.000 0.267 544 P C 0.543 178.034 177.300 0.318 0.000 1.205 544 P CA 1.281 64.498 63.100 0.196 0.000 0.765 544 P CB 0.621 32.394 31.700 0.121 0.000 0.828 545 G N 1.177 110.092 108.800 0.192 0.000 2.175 545 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.244 545 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.244 545 G C -0.349 174.423 174.900 -0.213 0.000 0.982 545 G CA -0.540 44.569 45.100 0.016 0.000 0.641 545 G HN 0.386 nan 8.290 nan 0.000 0.527 546 F N 1.183 121.130 119.950 -0.006 0.000 2.561 546 F HA 0.637 5.164 4.527 -0.000 0.000 0.313 546 F C 0.161 175.946 175.800 -0.024 0.000 1.126 546 F CA -0.883 57.104 58.000 -0.021 0.000 0.918 546 F CB 1.795 40.781 39.000 -0.023 0.000 1.199 546 F HN 0.372 nan 8.300 nan 0.000 0.444 547 E N 1.162 121.424 120.200 0.103 0.000 2.431 547 E HA 0.916 5.266 4.350 -0.000 0.000 0.268 547 E C -0.343 176.289 176.600 0.053 0.000 0.953 547 E CA -1.435 55.002 56.400 0.062 0.000 0.810 547 E CB 2.615 32.331 29.700 0.027 0.000 1.369 547 E HN 0.916 nan 8.360 nan 0.000 0.440 548 G N -0.276 108.551 108.800 0.046 0.000 2.440 548 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.684 548 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.684 548 G C 0.245 175.178 174.900 0.055 0.000 1.309 548 G CA -0.190 44.940 45.100 0.050 0.000 0.931 548 G HN 0.402 nan 8.290 nan 0.000 0.612 549 S N -0.284 115.454 115.700 0.064 0.000 2.370 549 S HA 0.147 4.617 4.470 -0.000 0.000 0.226 549 S C 1.826 176.470 174.600 0.073 0.000 1.033 549 S CA 2.401 60.642 58.200 0.068 0.000 1.011 549 S CB -0.028 63.215 63.200 0.071 0.000 0.852 549 S HN 2.004 nan 8.310 nan 0.000 0.457 550 A N -0.767 122.101 122.820 0.080 0.000 2.806 550 A HA 0.520 4.840 4.320 -0.000 0.000 0.266 550 A C 0.609 178.195 177.584 0.003 0.000 0.926 550 A CA -0.367 51.714 52.037 0.073 0.000 1.068 550 A CB -0.786 18.289 19.000 0.125 0.000 1.189 550 A HN 0.521 nan 8.150 nan 0.000 0.481 551 c N -0.198 118.398 118.600 -0.008 0.000 4.356 551 c HA -0.285 4.285 4.570 -0.000 0.000 0.296 551 c C 2.224 176.203 174.090 -0.186 0.000 1.424 551 c CA 1.409 57.704 56.329 -0.056 0.000 2.000 551 c CB -3.139 39.307 42.510 -0.107 0.000 1.262 551 c HN 0.895 nan 8.230 nan 0.000 0.789 552 Q N -0.417 119.379 119.800 -0.006 0.000 2.016 552 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 552 Q C 1.546 177.644 176.000 0.163 0.000 0.978 552 Q CA 1.641 57.560 55.803 0.195 0.000 0.833 552 Q CB -0.338 28.563 28.738 0.272 0.000 0.895 552 Q HN 0.724 nan 8.270 nan 0.000 0.427 553 c N 2.944 121.599 118.600 0.093 0.000 2.773 553 c HA 0.073 4.643 4.570 -0.000 0.000 0.442 553 c C 1.619 175.719 174.090 0.017 0.000 1.028 553 c CA -0.237 56.127 56.329 0.058 0.000 1.164 553 c CB -1.827 40.706 42.510 0.038 0.000 1.593 553 c HN 0.641 nan 8.230 nan 0.000 0.557 554 E N 2.163 122.374 120.200 0.017 0.000 2.097 554 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 554 E C 0.695 177.165 176.600 -0.216 0.000 1.000 554 E CA 1.183 57.576 56.400 -0.012 0.000 0.804 554 E CB 0.227 29.945 29.700 0.030 0.000 0.740 554 E HN 0.707 nan 8.360 nan 0.000 0.454 555 R N -0.464 119.896 120.500 -0.234 0.000 2.514 555 R HA 0.160 4.500 4.340 -0.000 0.000 0.301 555 R C 0.334 176.513 176.300 -0.201 0.000 0.962 555 R CA -0.135 55.751 56.100 -0.356 0.000 0.882 555 R CB 1.589 31.713 30.300 -0.294 0.000 1.143 555 R HN -0.097 nan 8.270 nan 0.000 0.452 556 T N 1.062 115.495 114.554 -0.201 0.000 3.148 556 T HA -0.031 4.319 4.350 -0.000 0.000 0.253 556 T C 0.984 175.628 174.700 -0.093 0.000 1.134 556 T CA 0.604 62.640 62.100 -0.107 0.000 1.051 556 T CB -0.081 68.741 68.868 -0.076 0.000 0.959 556 T HN 0.783 nan 8.240 nan 0.000 0.525 557 T N -0.325 114.157 114.554 -0.120 0.000 2.715 557 T HA 0.311 4.661 4.350 -0.000 0.000 0.320 557 T C -0.013 174.647 174.700 -0.065 0.000 1.046 557 T CA -0.462 61.584 62.100 -0.090 0.000 0.983 557 T CB 0.539 69.344 68.868 -0.106 0.000 1.183 557 T HN 0.264 nan 8.240 nan 0.000 0.522 558 E N -0.585 119.583 120.200 -0.053 0.000 3.117 558 E HA 0.325 4.675 4.350 -0.000 0.000 0.262 558 E C 0.689 177.265 176.600 -0.040 0.000 1.202 558 E CA -0.550 55.825 56.400 -0.041 0.000 0.853 558 E CB 0.519 30.200 29.700 -0.032 0.000 1.426 558 E HN 0.887 nan 8.360 nan 0.000 0.387 559 G N 0.099 108.873 108.800 -0.042 0.000 2.776 559 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.209 559 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.209 559 G C 1.164 176.047 174.900 -0.029 0.000 1.145 559 G CA 0.185 45.262 45.100 -0.037 0.000 0.791 559 G HN 0.493 nan 8.290 nan 0.000 0.530 560 c N 0.371 118.955 118.600 -0.026 0.000 2.466 560 c HA 0.264 4.834 4.570 -0.000 0.000 0.283 560 c C 1.294 175.370 174.090 -0.023 0.000 1.472 560 c CA -0.736 55.581 56.329 -0.021 0.000 1.765 560 c CB -1.447 41.053 42.510 -0.018 0.000 1.724 560 c HN 0.281 nan 8.230 nan 0.000 0.560 561 L N 2.768 123.975 121.223 -0.027 0.000 2.371 561 L HA 0.260 4.600 4.340 -0.000 0.000 0.272 561 L C 0.309 177.162 176.870 -0.028 0.000 1.124 561 L CA -0.118 54.705 54.840 -0.028 0.000 0.816 561 L CB 0.559 42.599 42.059 -0.031 0.000 1.129 561 L HN 0.386 nan 8.230 nan 0.000 0.448 562 N N 2.903 121.587 118.700 -0.026 0.000 2.566 562 N HA 0.423 5.163 4.740 -0.000 0.000 0.299 562 N C -2.286 173.208 175.510 -0.026 0.000 1.277 562 N CA -2.000 51.035 53.050 -0.025 0.000 0.965 562 N CB -0.531 37.943 38.487 -0.021 0.000 1.142 562 N HN 0.103 nan 8.380 nan 0.000 0.596 563 P HA -0.023 nan 4.420 nan 0.000 0.220 563 P C 0.964 178.256 177.300 -0.014 0.000 1.148 563 P CA 1.149 64.236 63.100 -0.023 0.000 0.803 563 P CB 0.180 31.866 31.700 -0.024 0.000 0.782 564 R N -0.673 119.818 120.500 -0.014 0.000 2.193 564 R HA 0.007 4.346 4.340 -0.000 0.000 0.229 564 R C 0.536 176.827 176.300 -0.015 0.000 1.110 564 R CA 0.544 56.638 56.100 -0.011 0.000 0.988 564 R CB -0.724 29.568 30.300 -0.013 0.000 0.871 564 R HN 0.106 nan 8.270 nan 0.000 0.458 565 R N -0.597 119.890 120.500 -0.021 0.000 3.651 565 R HA -0.122 4.218 4.340 -0.000 0.000 0.292 565 R C -0.539 175.739 176.300 -0.037 0.000 1.161 565 R CA 0.592 56.675 56.100 -0.028 0.000 0.787 565 R CB -2.714 27.571 30.300 -0.025 0.000 1.249 565 R HN 0.214 nan 8.270 nan 0.000 0.476 566 V N 0.433 120.327 119.914 -0.032 0.000 2.487 566 V HA 0.289 4.409 4.120 -0.000 0.000 0.298 566 V C 0.338 176.413 176.094 -0.033 0.000 1.028 566 V CA -0.802 61.477 62.300 -0.034 0.000 0.860 566 V CB 1.745 33.551 31.823 -0.028 0.000 0.991 566 V HN 0.277 nan 8.190 nan 0.000 0.427 567 E N 4.296 124.477 120.200 -0.032 0.000 2.465 567 E HA 0.104 4.454 4.350 -0.000 0.000 0.260 567 E C 0.701 177.281 176.600 -0.033 0.000 0.980 567 E CA 0.462 56.844 56.400 -0.029 0.000 0.927 567 E CB 0.192 29.877 29.700 -0.026 0.000 0.934 567 E HN 0.977 nan 8.360 nan 0.000 0.459 568 c N 3.413 121.995 118.600 -0.030 0.000 4.184 568 c HA -0.280 4.290 4.570 -0.000 0.000 0.295 568 c C 1.507 175.565 174.090 -0.054 0.000 1.477 568 c CA 0.581 56.891 56.329 -0.032 0.000 2.037 568 c CB -3.270 39.224 42.510 -0.027 0.000 1.282 568 c HN 1.046 nan 8.230 nan 0.000 0.783 569 S N -1.012 114.656 115.700 -0.053 0.000 4.150 569 S HA -0.365 4.105 4.470 -0.000 0.000 0.551 569 S C 1.661 176.195 174.600 -0.110 0.000 1.874 569 S CA 2.105 60.263 58.200 -0.071 0.000 4.241 569 S CB -1.553 61.608 63.200 -0.064 0.000 0.292 569 S HN 1.547 nan 8.310 nan 0.000 0.469 570 G N 2.100 110.789 108.800 -0.185 0.000 2.616 570 G HA2 0.152 4.112 3.960 -0.000 0.000 0.215 570 G HA3 0.152 4.112 3.960 -0.000 0.000 0.215 570 G C 0.372 175.147 174.900 -0.208 0.000 1.284 570 G CA 0.954 45.904 45.100 -0.249 0.000 0.823 570 G HN 0.522 nan 8.290 nan 0.000 0.569 571 R N -0.648 119.705 120.500 -0.245 0.000 2.807 571 R HA 0.610 4.950 4.340 -0.000 0.000 0.276 571 R C -0.599 175.662 176.300 -0.065 0.000 0.979 571 R CA 0.062 56.084 56.100 -0.129 0.000 0.928 571 R CB 1.467 31.708 30.300 -0.097 0.000 1.191 571 R HN 0.858 nan 8.270 nan 0.000 0.471 572 G N 2.028 110.817 108.800 -0.019 0.000 2.897 572 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.392 572 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.392 572 G C -0.677 174.221 174.900 -0.002 0.000 1.263 572 G CA -0.905 44.197 45.100 0.004 0.000 1.185 572 G HN 0.557 nan 8.290 nan 0.000 0.573 573 R N 0.861 121.366 120.500 0.008 0.000 2.756 573 R HA 0.350 4.690 4.340 -0.000 0.000 0.264 573 R C 0.424 176.726 176.300 0.002 0.000 1.026 573 R CA 0.269 56.371 56.100 0.004 0.000 1.121 573 R CB 0.515 30.822 30.300 0.011 0.000 0.999 573 R HN 0.745 nan 8.270 nan 0.000 0.449 574 c N 5.951 124.549 118.600 -0.003 0.000 2.116 574 c HA 0.391 4.960 4.570 -0.000 0.000 0.367 574 c C -0.242 173.847 174.090 -0.003 0.000 1.039 574 c CA -0.580 55.745 56.329 -0.005 0.000 1.465 574 c CB -1.258 41.245 42.510 -0.013 0.000 1.783 574 c HN 0.716 nan 8.230 nan 0.000 0.470 575 R N 3.641 124.144 120.500 0.004 0.000 2.229 575 R HA 0.393 4.733 4.340 -0.000 0.000 0.332 575 R C 0.464 176.769 176.300 0.008 0.000 0.989 575 R CA -0.272 55.832 56.100 0.008 0.000 0.842 575 R CB 0.566 30.876 30.300 0.016 0.000 1.119 575 R HN 0.834 nan 8.270 nan 0.000 0.456 576 c N 3.182 121.783 118.600 0.003 0.000 4.424 576 c HA -0.132 4.438 4.570 -0.000 0.000 0.304 576 c C 0.171 174.260 174.090 -0.003 0.000 1.344 576 c CA 0.120 56.451 56.329 0.004 0.000 2.033 576 c CB -2.450 40.078 42.510 0.030 0.000 1.264 576 c HN 1.097 nan 8.230 nan 0.000 0.750 577 N N -2.254 116.436 118.700 -0.016 0.000 2.735 577 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 577 N C -0.577 174.929 175.510 -0.006 0.000 1.083 577 N CA 1.400 54.439 53.050 -0.018 0.000 0.703 577 N CB -0.720 37.752 38.487 -0.025 0.000 1.005 577 N HN 0.841 nan 8.380 nan 0.000 0.550 578 V N -0.619 119.294 119.914 -0.000 0.000 2.888 578 V HA 0.469 4.589 4.120 -0.000 0.000 0.309 578 V C 0.269 176.367 176.094 0.006 0.000 1.114 578 V CA -0.901 61.402 62.300 0.006 0.000 0.940 578 V CB 2.506 34.337 31.823 0.013 0.000 1.021 578 V HN 0.218 nan 8.190 nan 0.000 0.426 579 c N 2.200 120.805 118.600 0.008 0.000 2.366 579 c HA 0.526 5.096 4.570 -0.000 0.000 0.345 579 c C 0.663 174.764 174.090 0.019 0.000 1.209 579 c CA -0.544 55.791 56.329 0.010 0.000 2.050 579 c CB 0.872 43.386 42.510 0.006 0.000 2.359 579 c HN 0.989 nan 8.230 nan 0.000 0.527 580 E N 1.057 121.270 120.200 0.022 0.000 2.490 580 E HA 0.245 4.595 4.350 -0.000 0.000 0.232 580 E C -0.606 176.022 176.600 0.046 0.000 1.091 580 E CA -0.356 56.063 56.400 0.032 0.000 1.050 580 E CB 0.098 29.817 29.700 0.032 0.000 1.342 580 E HN 0.810 nan 8.360 nan 0.000 0.454 581 c N 3.295 121.927 118.600 0.054 0.000 2.590 581 c HA -0.002 4.568 4.570 -0.000 0.000 0.411 581 c C 1.004 175.166 174.090 0.120 0.000 1.420 581 c CA -0.532 55.846 56.329 0.082 0.000 1.643 581 c CB -1.001 41.586 42.510 0.130 0.000 2.528 581 c HN 0.612 nan 8.230 nan 0.000 0.606 582 H N 2.343 121.437 119.070 0.040 0.000 2.745 582 H HA 0.165 4.720 4.556 -0.000 0.000 0.373 582 H C 1.091 176.533 175.328 0.191 0.000 1.226 582 H CA 1.865 57.959 56.048 0.077 0.000 1.435 582 H CB 0.822 30.604 29.762 0.034 0.000 1.461 582 H HN 0.968 nan 8.280 nan 0.000 0.616 583 S N 1.099 116.564 115.700 -0.391 0.000 3.469 583 S HA -0.275 4.194 4.470 -0.000 0.000 0.628 583 S C 1.306 175.917 174.600 0.018 0.000 2.687 583 S CA 1.294 59.447 58.200 -0.079 0.000 3.829 583 S CB -1.526 61.826 63.200 0.253 0.000 0.258 583 S HN 1.035 nan 8.310 nan 0.000 1.222 584 G N -0.316 108.497 108.800 0.022 0.000 3.284 584 G HA2 0.371 4.331 3.960 -0.000 0.000 0.236 584 G HA3 0.371 4.331 3.960 -0.000 0.000 0.236 584 G C -0.082 174.797 174.900 -0.036 0.000 1.158 584 G CA -0.017 45.066 45.100 -0.029 0.000 0.774 584 G HN 0.553 nan 8.290 nan 0.000 0.545 585 Y N 1.510 121.820 120.300 0.016 0.000 2.717 585 Y HA 0.101 4.651 4.550 -0.000 0.000 0.330 585 Y C 1.140 177.046 175.900 0.010 0.000 1.217 585 Y CA 0.278 58.391 58.100 0.021 0.000 1.506 585 Y CB 0.590 39.070 38.460 0.035 0.000 1.268 585 Y HN 0.097 nan 8.280 nan 0.000 0.561 586 Q N 1.925 121.802 119.800 0.129 0.000 2.252 586 Q HA 0.432 4.772 4.340 -0.000 0.000 0.256 586 Q C -0.709 175.335 176.000 0.073 0.000 1.020 586 Q CA -1.082 54.764 55.803 0.071 0.000 0.913 586 Q CB 1.728 30.484 28.738 0.029 0.000 1.286 586 Q HN 0.486 nan 8.270 nan 0.000 0.480 587 L N 1.421 122.671 121.223 0.044 0.000 2.468 587 L HA 0.209 4.549 4.340 -0.000 0.000 0.254 587 L C -1.219 175.667 176.870 0.026 0.000 1.171 587 L CA -0.790 54.070 54.840 0.034 0.000 0.809 587 L CB -0.520 41.553 42.059 0.022 0.000 1.155 587 L HN 0.550 nan 8.230 nan 0.000 0.473 588 P HA 0.125 nan 4.420 nan 0.000 0.224 588 P C 0.981 178.289 177.300 0.015 0.000 1.159 588 P CA 0.785 63.893 63.100 0.013 0.000 0.824 588 P CB 0.430 32.132 31.700 0.004 0.000 0.833 589 L N -0.996 120.236 121.223 0.016 0.000 2.728 589 L HA 0.240 4.580 4.340 -0.000 0.000 0.238 589 L C -0.302 176.577 176.870 0.016 0.000 1.143 589 L CA -0.289 54.555 54.840 0.008 0.000 0.937 589 L CB -0.473 41.585 42.059 -0.001 0.000 1.225 589 L HN -0.101 nan 8.230 nan 0.000 0.507 590 c N 1.672 120.301 118.600 0.048 0.000 3.547 590 c HA -0.118 4.452 4.570 -0.000 0.000 0.299 590 c C 1.538 175.694 174.090 0.111 0.000 1.148 590 c CA 0.684 57.066 56.329 0.088 0.000 2.364 590 c CB -1.955 40.563 42.510 0.013 0.000 1.453 590 c HN 0.788 nan 8.230 nan 0.000 0.549 591 Q N -0.198 119.716 119.800 0.190 0.000 2.577 591 Q HA 0.188 4.528 4.340 -0.000 0.000 0.242 591 Q C 0.201 176.369 176.000 0.280 0.000 0.818 591 Q CA 0.574 56.501 55.803 0.206 0.000 0.962 591 Q CB 0.358 29.149 28.738 0.088 0.000 1.272 591 Q HN 0.837 nan 8.270 nan 0.000 0.593 592 E N 1.024 121.315 120.200 0.152 0.000 2.115 592 E HA 0.311 4.661 4.350 -0.000 0.000 0.282 592 E C -1.149 175.405 176.600 -0.076 0.000 0.987 592 E CA -0.395 56.026 56.400 0.035 0.000 0.797 592 E CB 1.606 31.317 29.700 0.018 0.000 1.086 592 E HN 0.259 nan 8.360 nan 0.000 0.397 593 C N 7.144 126.274 119.300 -0.283 0.000 2.125 593 C HA 0.311 4.770 4.460 -0.000 0.000 0.355 593 C C -1.364 173.515 174.990 -0.184 0.000 1.047 593 C CA -2.210 56.583 59.018 -0.374 0.000 1.501 593 C CB -0.820 26.463 27.740 -0.762 0.000 1.783 593 C HN 0.663 nan 8.230 nan 0.000 0.455 594 P HA -0.047 nan 4.420 nan 0.000 0.216 594 P C 1.526 178.792 177.300 -0.057 0.000 1.150 594 P CA 1.774 64.837 63.100 -0.061 0.000 0.843 594 P CB 0.065 31.741 31.700 -0.040 0.000 0.787 595 G N -1.963 106.797 108.800 -0.065 0.000 2.813 595 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.209 595 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.209 595 G C 0.366 175.238 174.900 -0.046 0.000 1.150 595 G CA -0.127 44.945 45.100 -0.047 0.000 0.785 595 G HN 0.275 nan 8.290 nan 0.000 0.535 596 C N 0.845 120.102 119.300 -0.071 0.000 2.689 596 C HA 0.200 4.660 4.460 -0.000 0.000 0.409 596 C C -0.133 174.848 174.990 -0.016 0.000 1.293 596 C CA -0.700 58.287 59.018 -0.052 0.000 2.136 596 C CB 1.442 29.126 27.740 -0.093 0.000 2.719 596 C HN 0.301 nan 8.230 nan 0.000 0.644 597 P HA -0.039 nan 4.420 nan 0.000 0.225 597 P C 0.559 177.873 177.300 0.025 0.000 1.148 597 P CA 0.921 64.035 63.100 0.024 0.000 0.779 597 P CB -0.006 31.721 31.700 0.045 0.000 0.780 598 S N -0.422 115.292 115.700 0.023 0.000 3.667 598 S HA -0.067 4.402 4.470 -0.000 0.000 0.405 598 S C -2.041 172.569 174.600 0.016 0.000 0.913 598 S CA -0.293 57.915 58.200 0.014 0.000 1.288 598 S CB -1.177 62.025 63.200 0.004 0.000 0.905 598 S HN 0.154 nan 8.310 nan 0.000 0.550 599 P HA 0.311 nan 4.420 nan 0.000 0.276 599 P C 0.428 177.785 177.300 0.094 0.000 1.253 599 P CA -0.390 62.786 63.100 0.127 0.000 0.766 599 P CB 0.973 32.831 31.700 0.264 0.000 0.845 600 c N 2.614 121.310 118.600 0.160 0.000 2.820 600 c HA 0.247 4.816 4.570 -0.000 0.000 0.323 600 c C 1.649 175.953 174.090 0.356 0.000 1.279 600 c CA 0.512 56.974 56.329 0.222 0.000 1.790 600 c CB -0.291 42.309 42.510 0.150 0.000 2.328 600 c HN 0.676 nan 8.230 nan 0.000 0.579 601 G N 0.235 109.182 108.800 0.244 0.000 2.559 601 G HA2 0.320 4.280 3.960 -0.000 0.000 0.235 601 G HA3 0.320 4.280 3.960 -0.000 0.000 0.235 601 G C 0.448 175.409 174.900 0.101 0.000 1.266 601 G CA 0.345 45.537 45.100 0.153 0.000 0.847 601 G HN 0.629 nan 8.290 nan 0.000 0.583 602 K N -0.170 120.221 120.400 -0.015 0.000 3.572 602 K HA -0.263 4.057 4.320 -0.000 0.000 0.306 602 K C 0.833 177.243 176.600 -0.316 0.000 1.286 602 K CA 1.933 58.112 56.287 -0.179 0.000 1.010 602 K CB -1.155 31.171 32.500 -0.289 0.000 1.268 602 K HN 0.604 nan 8.250 nan 0.000 0.438 603 Y N -0.581 119.709 120.300 -0.016 0.000 2.498 603 Y HA 0.191 4.741 4.550 -0.000 0.000 0.259 603 Y C 2.110 177.955 175.900 -0.093 0.000 1.086 603 Y CA -0.184 57.872 58.100 -0.072 0.000 1.287 603 Y CB 0.356 38.754 38.460 -0.104 0.000 1.146 603 Y HN -0.030 nan 8.280 nan 0.000 0.523 604 I N -0.445 120.195 120.570 0.117 0.000 2.208 604 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 604 I C 2.539 178.675 176.117 0.031 0.000 1.097 604 I CA 1.598 62.941 61.300 0.071 0.000 1.363 604 I CB -1.265 36.804 38.000 0.115 0.000 1.051 604 I HN 0.187 nan 8.210 nan 0.000 0.413 605 S N -0.095 115.648 115.700 0.071 0.000 2.383 605 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 605 S C 2.123 176.676 174.600 -0.079 0.000 1.030 605 S CA 1.794 60.057 58.200 0.105 0.000 1.002 605 S CB -0.183 63.136 63.200 0.199 0.000 0.829 605 S HN 0.542 nan 8.310 nan 0.000 0.467 606 c N 0.926 119.485 118.600 -0.069 0.000 2.634 606 c HA 0.534 5.103 4.570 -0.000 0.000 0.268 606 c C 2.884 176.909 174.090 -0.108 0.000 1.322 606 c CA -0.166 56.108 56.329 -0.091 0.000 1.737 606 c CB -1.184 41.294 42.510 -0.052 0.000 1.976 606 c HN 0.717 nan 8.230 nan 0.000 0.547 607 A N 1.851 124.585 122.820 -0.143 0.000 1.929 607 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 607 A C 2.054 179.573 177.584 -0.108 0.000 1.176 607 A CA 1.553 53.461 52.037 -0.215 0.000 0.628 607 A CB -0.493 18.234 19.000 -0.455 0.000 0.816 607 A HN 0.795 nan 8.150 nan 0.000 0.444 608 E N -1.463 118.673 120.200 -0.107 0.000 2.489 608 E HA -0.000 4.350 4.350 -0.000 0.000 0.193 608 E C 1.309 177.856 176.600 -0.089 0.000 1.057 608 E CA 0.656 57.016 56.400 -0.068 0.000 0.866 608 E CB -0.416 29.209 29.700 -0.124 0.000 0.916 608 E HN 0.443 nan 8.360 nan 0.000 0.500 609 c N 0.139 118.660 118.600 -0.131 0.000 2.926 609 c HA 0.368 4.937 4.570 -0.000 0.000 0.272 609 c C 1.609 175.656 174.090 -0.073 0.000 1.249 609 c CA -0.179 56.064 56.329 -0.143 0.000 1.691 609 c CB -0.831 41.569 42.510 -0.184 0.000 1.983 609 c HN 0.547 nan 8.230 nan 0.000 0.615 610 L N -0.143 121.055 121.223 -0.042 0.000 2.675 610 L HA 0.271 4.611 4.340 -0.000 0.000 0.178 610 L C 2.320 179.179 176.870 -0.018 0.000 1.135 610 L CA 0.293 55.115 54.840 -0.029 0.000 0.855 610 L CB -0.886 41.156 42.059 -0.030 0.000 1.235 610 L HN -0.041 nan 8.230 nan 0.000 0.499 611 K N 1.058 121.462 120.400 0.006 0.000 1.974 611 K HA 0.003 4.322 4.320 -0.000 0.000 0.211 611 K C 0.447 177.009 176.600 -0.063 0.000 1.039 611 K CA 1.307 57.577 56.287 -0.029 0.000 0.947 611 K CB -0.561 31.951 32.500 0.020 0.000 0.735 611 K HN -0.150 nan 8.250 nan 0.000 0.441 612 F N 1.723 121.628 119.950 -0.075 0.000 2.403 612 F HA 0.223 4.750 4.527 -0.000 0.000 0.320 612 F C 0.776 176.532 175.800 -0.074 0.000 1.176 612 F CA -0.161 57.803 58.000 -0.059 0.000 1.206 612 F CB 0.481 39.453 39.000 -0.046 0.000 1.235 612 F HN 0.054 nan 8.300 nan 0.000 0.565 613 E N 1.478 121.744 120.200 0.111 0.000 2.969 613 E HA 0.084 4.434 4.350 -0.000 0.000 0.213 613 E C -0.334 176.275 176.600 0.015 0.000 1.107 613 E CA -0.097 56.317 56.400 0.023 0.000 1.007 613 E CB 0.732 30.431 29.700 -0.002 0.000 1.326 613 E HN 0.493 nan 8.360 nan 0.000 0.432 614 K N 0.561 120.949 120.400 -0.020 0.000 2.965 614 K HA 0.265 4.585 4.320 -0.000 0.000 0.216 614 K C -0.000 176.489 176.600 -0.185 0.000 1.164 614 K CA -0.016 56.250 56.287 -0.035 0.000 1.153 614 K CB 0.117 32.622 32.500 0.008 0.000 1.045 614 K HN 0.488 nan 8.250 nan 0.000 0.460 615 G N 3.152 111.831 108.800 -0.202 0.000 3.129 615 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.385 615 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.385 615 G C -2.701 171.846 174.900 -0.588 0.000 1.046 615 G CA -0.965 43.983 45.100 -0.254 0.000 0.933 615 G HN 0.211 nan 8.290 nan 0.000 0.424 616 P HA 0.076 nan 4.420 nan 0.000 0.256 616 P C 0.867 178.071 177.300 -0.161 0.000 1.189 616 P CA 0.333 63.263 63.100 -0.284 0.000 0.808 616 P CB 0.035 31.659 31.700 -0.128 0.000 0.793 617 F N 2.399 122.337 119.950 -0.020 0.000 2.025 617 F HA -0.054 4.472 4.527 -0.000 0.000 0.291 617 F C 2.810 178.597 175.800 -0.021 0.000 1.150 617 F CA 1.112 59.099 58.000 -0.022 0.000 1.166 617 F CB -1.122 37.861 39.000 -0.029 0.000 0.995 617 F HN 0.278 nan 8.300 nan 0.000 0.474 618 G N -0.258 108.656 108.800 0.191 0.000 2.469 618 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 618 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 618 G C 1.067 176.001 174.900 0.057 0.000 1.150 618 G CA 1.434 46.588 45.100 0.091 0.000 0.763 618 G HN 0.303 nan 8.290 nan 0.000 0.561 619 K N -2.019 118.407 120.400 0.043 0.000 3.157 619 K HA 0.265 4.585 4.320 -0.000 0.000 0.309 619 K C 0.142 176.748 176.600 0.010 0.000 1.183 619 K CA -0.575 55.725 56.287 0.023 0.000 1.198 619 K CB 0.116 32.623 32.500 0.011 0.000 3.317 619 K HN 0.093 nan 8.250 nan 0.000 1.071 620 N N -0.631 118.067 118.700 -0.005 0.000 3.040 620 N HA 0.482 5.221 4.740 -0.000 0.000 0.339 620 N C -1.072 174.417 175.510 -0.034 0.000 1.387 620 N CA -0.515 52.522 53.050 -0.021 0.000 0.745 620 N CB 1.172 39.649 38.487 -0.016 0.000 1.237 620 N HN 0.404 nan 8.380 nan 0.000 0.565 621 c N -1.894 116.683 118.600 -0.038 0.000 3.235 621 c HA 0.565 5.135 4.570 -0.000 0.000 0.351 621 c C 0.217 174.294 174.090 -0.021 0.000 1.520 621 c CA -0.141 56.165 56.329 -0.038 0.000 1.474 621 c CB 0.945 43.419 42.510 -0.060 0.000 2.019 621 c HN 0.827 nan 8.230 nan 0.000 0.446 622 S N -0.995 114.697 115.700 -0.014 0.000 3.261 622 S HA -0.224 4.246 4.470 -0.000 0.000 0.287 622 S C 0.314 174.915 174.600 0.002 0.000 1.281 622 S CA 1.356 59.556 58.200 -0.002 0.000 1.053 622 S CB -1.646 61.552 63.200 -0.003 0.000 1.251 622 S HN 1.319 nan 8.310 nan 0.000 0.659 623 A N -0.412 122.407 122.820 -0.002 0.000 1.780 623 A HA 0.788 5.107 4.320 -0.000 0.000 0.208 623 A C 1.425 179.009 177.584 0.000 0.000 1.761 623 A CA 0.801 52.839 52.037 0.001 0.000 1.183 623 A CB -0.416 18.583 19.000 -0.002 0.000 1.162 623 A HN 1.224 nan 8.150 nan 0.000 0.472 624 A N -1.134 121.682 122.820 -0.007 0.000 2.379 624 A HA 0.439 4.759 4.320 -0.000 0.000 0.236 624 A C 0.360 177.934 177.584 -0.016 0.000 1.272 624 A CA 0.625 52.655 52.037 -0.012 0.000 0.886 624 A CB -0.842 18.150 19.000 -0.015 0.000 0.962 624 A HN 0.650 nan 8.150 nan 0.000 0.504 625 c N 0.282 118.881 118.600 -0.002 0.000 3.421 625 c HA 0.278 4.848 4.570 -0.000 0.000 0.194 625 c C -1.934 172.182 174.090 0.042 0.000 1.418 625 c CA -0.790 55.546 56.329 0.012 0.000 1.226 625 c CB 0.376 42.881 42.510 -0.008 0.000 1.875 625 c HN 0.445 nan 8.230 nan 0.000 0.561 626 P HA 0.028 nan 4.420 nan 0.000 0.259 626 P C 1.001 178.372 177.300 0.119 0.000 1.307 626 P CA 0.860 64.004 63.100 0.073 0.000 0.768 626 P CB -0.140 31.601 31.700 0.068 0.000 1.199 627 G N 0.880 109.769 108.800 0.148 0.000 3.197 627 G HA2 0.043 4.003 3.960 -0.000 0.000 0.257 627 G HA3 0.043 4.003 3.960 -0.000 0.000 0.257 627 G C 0.923 175.894 174.900 0.118 0.000 0.835 627 G CA -0.322 44.893 45.100 0.193 0.000 2.001 627 G HN 0.133 nan 8.290 nan 0.000 0.625 628 L N 0.129 121.408 121.223 0.093 0.000 2.127 628 L HA 0.002 4.342 4.340 -0.000 0.000 0.211 628 L C 1.608 178.512 176.870 0.057 0.000 1.089 628 L CA 1.462 56.338 54.840 0.061 0.000 0.757 628 L CB -0.276 41.812 42.059 0.049 0.000 0.899 628 L HN 0.429 nan 8.230 nan 0.000 0.434 629 Q N -0.633 119.210 119.800 0.072 0.000 2.235 629 Q HA 0.402 4.742 4.340 -0.000 0.000 0.250 629 Q C -0.895 175.150 176.000 0.074 0.000 0.909 629 Q CA -0.317 55.526 55.803 0.068 0.000 0.910 629 Q CB 1.890 30.671 28.738 0.071 0.000 1.223 629 Q HN 0.115 nan 8.270 nan 0.000 0.432 630 L N 2.108 123.372 121.223 0.069 0.000 2.669 630 L HA 0.167 4.507 4.340 -0.000 0.000 0.273 630 L C -0.597 176.336 176.870 0.104 0.000 1.441 630 L CA -0.070 54.815 54.840 0.076 0.000 0.745 630 L CB 0.958 43.041 42.059 0.040 0.000 1.044 630 L HN 0.660 nan 8.230 nan 0.000 0.523 631 S N -0.309 115.463 115.700 0.121 0.000 2.573 631 S HA 0.042 4.512 4.470 -0.000 0.000 0.297 631 S C 0.512 175.225 174.600 0.188 0.000 1.280 631 S CA -0.093 58.181 58.200 0.124 0.000 1.061 631 S CB 0.197 63.460 63.200 0.105 0.000 0.812 631 S HN 0.521 nan 8.310 nan 0.000 0.500 632 N N 3.791 122.582 118.700 0.152 0.000 3.303 632 N HA 0.271 5.011 4.740 -0.000 0.000 0.304 632 N C -0.764 174.810 175.510 0.106 0.000 1.302 632 N CA -0.020 53.146 53.050 0.193 0.000 1.213 632 N CB -0.734 37.829 38.487 0.127 0.000 1.481 632 N HN 0.523 nan 8.380 nan 0.000 0.546 633 N N -0.251 118.473 118.700 0.040 0.000 2.591 633 N HA 0.307 5.047 4.740 -0.000 0.000 0.263 633 N C -2.858 172.464 175.510 -0.314 0.000 1.308 633 N CA -1.160 51.819 53.050 -0.118 0.000 0.837 633 N CB 1.998 40.468 38.487 -0.028 0.000 1.548 633 N HN -0.117 nan 8.380 nan 0.000 0.493 634 P HA 0.065 nan 4.420 nan 0.000 0.235 634 P C 0.166 177.398 177.300 -0.113 0.000 1.765 634 P CA -0.192 62.737 63.100 -0.286 0.000 1.034 634 P CB -0.221 31.363 31.700 -0.193 0.000 1.984 635 V N -0.704 119.179 119.914 -0.052 0.000 3.133 635 V HA 0.455 4.575 4.120 -0.000 0.000 0.305 635 V C 0.382 176.500 176.094 0.041 0.000 1.084 635 V CA -0.144 62.168 62.300 0.020 0.000 1.089 635 V CB 0.951 32.815 31.823 0.068 0.000 1.073 635 V HN 0.191 nan 8.190 nan 0.000 0.477 636 K N 0.066 120.494 120.400 0.047 0.000 2.454 636 K HA 0.703 5.023 4.320 -0.000 0.000 0.279 636 K C 0.367 176.996 176.600 0.048 0.000 1.020 636 K CA -0.400 55.916 56.287 0.047 0.000 0.850 636 K CB 1.556 34.070 32.500 0.023 0.000 1.529 636 K HN 1.165 nan 8.250 nan 0.000 0.390 637 G N 0.451 109.274 108.800 0.038 0.000 2.882 637 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.198 637 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.198 637 G C -0.601 174.319 174.900 0.033 0.000 1.977 637 G CA -0.600 44.520 45.100 0.033 0.000 1.541 637 G HN 0.285 nan 8.290 nan 0.000 0.567 638 R N 2.457 122.986 120.500 0.048 0.000 4.138 638 R HA 0.317 4.657 4.340 -0.000 0.000 0.206 638 R C 0.334 176.648 176.300 0.023 0.000 1.667 638 R CA 0.437 56.559 56.100 0.037 0.000 1.481 638 R CB -0.302 30.031 30.300 0.056 0.000 1.388 638 R HN 0.407 nan 8.270 nan 0.000 0.776 639 T N 1.080 115.638 114.554 0.008 0.000 2.761 639 T HA -0.031 4.319 4.350 -0.000 0.000 0.262 639 T C 0.326 174.988 174.700 -0.063 0.000 0.968 639 T CA 0.100 62.192 62.100 -0.013 0.000 1.235 639 T CB -0.607 68.253 68.868 -0.013 0.000 0.925 639 T HN 0.440 nan 8.240 nan 0.000 0.545 640 c N 5.447 123.971 118.600 -0.126 0.000 2.358 640 c HA 0.811 5.381 4.570 -0.000 0.000 0.354 640 c C -0.154 173.668 174.090 -0.448 0.000 1.183 640 c CA -0.742 55.430 56.329 -0.261 0.000 2.150 640 c CB 0.711 43.059 42.510 -0.270 0.000 2.361 640 c HN 1.041 nan 8.230 nan 0.000 0.535 641 K N 3.641 123.816 120.400 -0.375 0.000 2.805 641 K HA 0.276 4.596 4.320 -0.000 0.000 0.276 641 K C -0.841 175.709 176.600 -0.083 0.000 1.209 641 K CA -0.119 55.998 56.287 -0.284 0.000 1.065 641 K CB 0.278 32.696 32.500 -0.136 0.000 1.363 641 K HN 0.806 nan 8.250 nan 0.000 0.546 642 E N 1.515 121.672 120.200 -0.071 0.000 2.518 642 E HA 0.493 4.843 4.350 -0.000 0.000 0.241 642 E C -0.122 176.554 176.600 0.128 0.000 0.899 642 E CA -0.781 55.680 56.400 0.103 0.000 0.888 642 E CB 1.059 30.819 29.700 0.099 0.000 1.426 642 E HN 0.443 nan 8.360 nan 0.000 0.401 643 R N 0.477 120.981 120.500 0.007 0.000 2.606 643 R HA 0.256 4.596 4.340 -0.000 0.000 0.249 643 R C 0.199 176.455 176.300 -0.074 0.000 1.127 643 R CA -0.588 55.412 56.100 -0.166 0.000 1.133 643 R CB 0.317 30.363 30.300 -0.423 0.000 1.243 643 R HN 0.563 nan 8.270 nan 0.000 0.558 644 D N -1.075 119.245 120.400 -0.133 0.000 2.560 644 D HA 0.018 4.658 4.640 -0.000 0.000 0.277 644 D C 0.784 177.057 176.300 -0.045 0.000 1.194 644 D CA -0.387 53.566 54.000 -0.078 0.000 1.092 644 D CB -0.165 40.556 40.800 -0.133 0.000 1.169 644 D HN 0.398 nan 8.370 nan 0.000 0.607 645 S N -1.607 114.110 115.700 0.028 0.000 2.428 645 S HA -0.050 4.420 4.470 -0.000 0.000 0.230 645 S C 0.452 175.018 174.600 -0.057 0.000 1.014 645 S CA 0.470 58.694 58.200 0.038 0.000 0.957 645 S CB -0.437 62.928 63.200 0.274 0.000 0.784 645 S HN 0.571 nan 8.310 nan 0.000 0.499 646 E N 0.236 120.399 120.200 -0.063 0.000 3.117 646 E HA 0.459 4.809 4.350 -0.000 0.000 0.262 646 E C 0.372 176.900 176.600 -0.120 0.000 1.202 646 E CA -0.108 56.241 56.400 -0.086 0.000 0.853 646 E CB 0.860 30.532 29.700 -0.048 0.000 1.426 646 E HN 0.373 nan 8.360 nan 0.000 0.387 647 G N 1.125 109.811 108.800 -0.190 0.000 3.586 647 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.212 647 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.212 647 G C 0.546 175.217 174.900 -0.382 0.000 1.411 647 G CA -0.163 44.779 45.100 -0.263 0.000 0.898 647 G HN 0.531 nan 8.290 nan 0.000 0.575 648 c N 2.627 121.091 118.600 -0.225 0.000 2.648 648 c HA 0.357 4.927 4.570 -0.000 0.000 0.419 648 c C 0.917 174.912 174.090 -0.160 0.000 1.352 648 c CA -0.509 55.737 56.329 -0.139 0.000 1.816 648 c CB -0.812 41.663 42.510 -0.059 0.000 2.598 648 c HN 0.338 nan 8.230 nan 0.000 0.598 649 W N 4.347 125.628 121.300 -0.031 0.000 2.659 649 W HA 0.302 4.962 4.660 -0.000 0.000 0.342 649 W C -0.437 176.060 176.519 -0.038 0.000 1.287 649 W CA -0.011 57.317 57.345 -0.030 0.000 1.460 649 W CB 0.219 29.665 29.460 -0.023 0.000 1.503 649 W HN 0.387 nan 8.180 nan 0.000 0.483 650 V N 4.687 124.672 119.914 0.118 0.000 2.385 650 V HA 0.342 4.462 4.120 -0.000 0.000 0.269 650 V C 0.717 176.905 176.094 0.157 0.000 1.043 650 V CA -0.674 61.679 62.300 0.088 0.000 0.906 650 V CB 0.444 32.265 31.823 -0.003 0.000 0.995 650 V HN 0.502 nan 8.190 nan 0.000 0.467 651 A N 5.915 128.815 122.820 0.132 0.000 2.286 651 A HA 0.920 5.240 4.320 -0.000 0.000 0.286 651 A C -0.715 176.960 177.584 0.153 0.000 1.097 651 A CA -0.325 51.727 52.037 0.026 0.000 0.821 651 A CB 0.594 19.628 19.000 0.056 0.000 1.076 651 A HN 1.406 nan 8.150 nan 0.000 0.490 652 Y N -1.655 118.693 120.300 0.079 0.000 2.365 652 Y HA 0.451 5.001 4.550 -0.000 0.000 0.324 652 Y C -0.156 175.794 175.900 0.083 0.000 1.330 652 Y CA -0.594 57.557 58.100 0.085 0.000 1.271 652 Y CB -0.235 38.253 38.460 0.046 0.000 1.306 652 Y HN 0.915 nan 8.280 nan 0.000 0.451 653 T N 0.713 115.429 114.554 0.270 0.000 2.770 653 T HA 0.671 5.021 4.350 -0.000 0.000 0.281 653 T C -0.943 173.907 174.700 0.249 0.000 0.981 653 T CA -0.522 61.691 62.100 0.189 0.000 0.955 653 T CB 1.679 70.640 68.868 0.155 0.000 1.060 653 T HN 1.073 nan 8.240 nan 0.000 0.531 654 L N 0.889 122.213 121.223 0.169 0.000 2.549 654 L HA 0.396 4.736 4.340 -0.000 0.000 0.260 654 L C -0.509 176.463 176.870 0.171 0.000 1.109 654 L CA -0.283 54.652 54.840 0.158 0.000 0.900 654 L CB 1.061 43.170 42.059 0.084 0.000 1.119 654 L HN 0.965 nan 8.230 nan 0.000 0.471 655 E N 3.298 123.600 120.200 0.170 0.000 1.941 655 E HA 0.159 4.508 4.350 -0.000 0.000 0.275 655 E C -0.210 176.483 176.600 0.155 0.000 1.113 655 E CA -0.222 56.261 56.400 0.139 0.000 0.878 655 E CB 0.632 30.390 29.700 0.097 0.000 1.070 655 E HN 0.673 nan 8.360 nan 0.000 0.399 656 Q N 3.203 123.093 119.800 0.150 0.000 2.474 656 Q HA -0.003 4.337 4.340 -0.000 0.000 0.256 656 Q C -0.804 175.145 176.000 -0.086 0.000 1.048 656 Q CA 0.231 55.988 55.803 -0.076 0.000 0.922 656 Q CB 0.722 29.368 28.738 -0.154 0.000 1.288 656 Q HN 0.440 nan 8.270 nan 0.000 0.484 657 Q N 2.202 121.899 119.800 -0.172 0.000 2.280 657 Q HA 0.217 4.557 4.340 -0.000 0.000 0.259 657 Q C -1.056 174.880 176.000 -0.107 0.000 0.964 657 Q CA -0.258 55.492 55.803 -0.089 0.000 0.844 657 Q CB 1.739 30.451 28.738 -0.042 0.000 1.334 657 Q HN 0.876 nan 8.270 nan 0.000 0.423 658 D N 0.816 121.170 120.400 -0.076 0.000 4.100 658 D HA -0.221 4.419 4.640 -0.000 0.000 0.138 658 D C 0.437 176.665 176.300 -0.121 0.000 0.819 658 D CA 2.020 55.971 54.000 -0.080 0.000 1.117 658 D CB -0.984 39.781 40.800 -0.058 0.000 0.537 658 D HN 0.710 nan 8.370 nan 0.000 0.539 659 G N -0.318 108.415 108.800 -0.111 0.000 2.420 659 G HA2 0.497 4.457 3.960 -0.000 0.000 0.284 659 G HA3 0.497 4.457 3.960 -0.000 0.000 0.284 659 G C 0.977 175.806 174.900 -0.118 0.000 1.177 659 G CA 0.457 45.483 45.100 -0.123 0.000 0.841 659 G HN 0.419 nan 8.290 nan 0.000 0.527 660 M N 0.541 120.071 119.600 -0.118 0.000 7.319 660 M HA -0.225 4.255 4.480 -0.000 0.000 0.284 660 M C 0.195 176.493 176.300 -0.004 0.000 0.480 660 M CA 1.620 56.894 55.300 -0.044 0.000 1.311 660 M CB -1.264 31.322 32.600 -0.022 0.000 0.421 660 M HN 0.509 nan 8.290 nan 0.000 0.895 661 D N 2.353 122.796 120.400 0.072 0.000 3.110 661 D HA 0.238 4.877 4.640 -0.000 0.000 0.254 661 D C -0.053 176.339 176.300 0.153 0.000 1.283 661 D CA 0.180 54.308 54.000 0.214 0.000 0.944 661 D CB -0.034 40.951 40.800 0.309 0.000 1.066 661 D HN 0.162 nan 8.370 nan 0.000 0.496 662 R N 1.021 121.437 120.500 -0.141 0.000 2.407 662 R HA 0.552 4.892 4.340 -0.000 0.000 0.303 662 R C -0.509 175.569 176.300 -0.370 0.000 0.981 662 R CA -0.484 55.552 56.100 -0.107 0.000 0.905 662 R CB 1.243 31.487 30.300 -0.093 0.000 1.099 662 R HN 0.124 nan 8.270 nan 0.000 0.459 663 Y N 0.556 120.890 120.300 0.057 0.000 2.818 663 Y HA 0.560 5.110 4.550 -0.000 0.000 0.322 663 Y C -0.780 175.146 175.900 0.044 0.000 1.323 663 Y CA -1.141 56.986 58.100 0.046 0.000 1.090 663 Y CB 1.654 40.136 38.460 0.036 0.000 1.328 663 Y HN 0.396 nan 8.280 nan 0.000 0.482 664 L N 1.954 123.327 121.223 0.249 0.000 2.661 664 L HA 0.675 5.015 4.340 -0.000 0.000 0.263 664 L C -2.279 174.686 176.870 0.159 0.000 0.956 664 L CA -0.148 54.787 54.840 0.157 0.000 0.918 664 L CB 0.861 42.989 42.059 0.114 0.000 1.280 664 L HN 0.447 nan 8.230 nan 0.000 0.416 665 I N 4.422 125.074 120.570 0.136 0.000 2.740 665 I HA 0.493 4.663 4.170 -0.000 0.000 0.303 665 I C -1.277 174.956 176.117 0.193 0.000 1.044 665 I CA -0.579 60.804 61.300 0.139 0.000 1.064 665 I CB 1.985 40.010 38.000 0.042 0.000 1.249 665 I HN 0.583 nan 8.210 nan 0.000 0.433 666 Y N 4.982 125.343 120.300 0.102 0.000 2.426 666 Y HA 0.654 5.204 4.550 -0.000 0.000 0.325 666 Y C -1.169 174.824 175.900 0.156 0.000 0.989 666 Y CA -0.980 57.182 58.100 0.103 0.000 1.284 666 Y CB 1.143 39.657 38.460 0.090 0.000 1.104 666 Y HN 0.313 nan 8.280 nan 0.000 0.481 667 V N 5.863 125.600 119.914 -0.295 0.000 2.427 667 V HA 0.045 4.165 4.120 -0.000 0.000 0.268 667 V C 0.259 176.145 176.094 -0.348 0.000 1.046 667 V CA -0.456 61.770 62.300 -0.124 0.000 0.970 667 V CB 0.459 32.297 31.823 0.025 0.000 1.001 667 V HN 0.754 nan 8.190 nan 0.000 0.476 668 D N 4.654 125.000 120.400 -0.091 0.000 2.571 668 D HA -0.098 4.541 4.640 -0.000 0.000 0.231 668 D C 0.941 177.288 176.300 0.080 0.000 1.133 668 D CA 0.117 54.122 54.000 0.008 0.000 0.862 668 D CB 0.737 41.642 40.800 0.175 0.000 1.179 668 D HN 0.815 nan 8.370 nan 0.000 0.474 669 E N 1.577 121.797 120.200 0.033 0.000 1.999 669 E HA 0.236 4.586 4.350 -0.000 0.000 0.296 669 E C -0.507 176.184 176.600 0.152 0.000 1.187 669 E CA -0.551 55.868 56.400 0.031 0.000 1.229 669 E CB -0.208 29.487 29.700 -0.009 0.000 1.131 669 E HN 0.155 nan 8.360 nan 0.000 0.478 670 S N 1.654 117.542 115.700 0.313 0.000 2.597 670 S HA 0.484 4.954 4.470 -0.000 0.000 0.274 670 S C -1.434 173.326 174.600 0.266 0.000 1.132 670 S CA -0.858 57.495 58.200 0.255 0.000 0.835 670 S CB 1.355 64.656 63.200 0.167 0.000 1.092 670 S HN 0.494 nan 8.310 nan 0.000 0.457 671 R N 0.590 121.201 120.500 0.184 0.000 2.810 671 R HA 0.622 4.962 4.340 -0.000 0.000 0.266 671 R C -1.496 174.889 176.300 0.141 0.000 1.061 671 R CA -0.928 55.243 56.100 0.119 0.000 0.943 671 R CB 1.798 32.136 30.300 0.063 0.000 1.237 671 R HN 0.690 nan 8.270 nan 0.000 0.459 672 E N 0.407 120.709 120.200 0.170 0.000 2.649 672 E HA 0.185 4.535 4.350 -0.000 0.000 0.310 672 E C -1.040 175.715 176.600 0.258 0.000 1.036 672 E CA -0.224 56.318 56.400 0.237 0.000 0.772 672 E CB 1.296 31.194 29.700 0.330 0.000 1.513 672 E HN 0.441 nan 8.360 nan 0.000 0.384 673 c N 2.180 120.868 118.600 0.147 0.000 2.614 673 c HA 0.122 4.692 4.570 -0.000 0.000 0.299 673 c C 1.536 175.696 174.090 0.116 0.000 1.293 673 c CA -0.243 56.139 56.329 0.088 0.000 1.713 673 c CB -0.980 41.555 42.510 0.042 0.000 1.890 673 c HN 0.679 nan 8.230 nan 0.000 0.602 674 V N 0.000 120.024 119.914 0.183 0.000 2.409 674 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 674 V CA 0.000 62.394 62.300 0.157 0.000 1.235 674 V CB 0.000 31.936 31.823 0.188 0.000 1.184 674 V HN 0.000 nan 8.190 nan 0.000 0.556