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_F 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 0.000 176.007 176.000 0.012 0.000 1.003 1 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 1 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 2 E N 0.156 120.363 120.200 0.011 0.000 2.481 2 E HA 0.534 4.884 4.350 -0.000 0.000 0.301 2 E C -1.658 174.947 176.600 0.008 0.000 0.948 2 E CA -0.690 55.716 56.400 0.009 0.000 0.804 2 E CB 1.730 31.432 29.700 0.004 0.000 1.265 2 E HN 0.278 nan 8.360 nan 0.000 0.406 3 c N 3.047 121.655 118.600 0.013 0.000 3.096 3 c HA 0.360 4.930 4.570 -0.000 0.000 0.391 3 c C -0.983 173.123 174.090 0.027 0.000 1.085 3 c CA 0.014 56.352 56.329 0.016 0.000 1.289 3 c CB 0.342 42.869 42.510 0.028 0.000 1.685 3 c HN 0.790 nan 8.230 nan 0.000 0.515 4 T N 5.003 119.566 114.554 0.015 0.000 2.799 4 T HA 0.346 4.696 4.350 -0.000 0.000 0.286 4 T C -0.216 174.516 174.700 0.054 0.000 0.973 4 T CA -0.339 61.784 62.100 0.039 0.000 1.035 4 T CB 1.084 69.970 68.868 0.029 0.000 0.932 4 T HN 0.642 nan 8.240 nan 0.000 0.469 5 K N 2.651 123.110 120.400 0.098 0.000 2.349 5 K HA 0.279 4.598 4.320 -0.000 0.000 0.289 5 K C -0.296 176.377 176.600 0.121 0.000 1.064 5 K CA -0.372 55.984 56.287 0.115 0.000 0.947 5 K CB 0.425 32.997 32.500 0.119 0.000 1.007 5 K HN 0.465 nan 8.250 nan 0.000 0.478 6 F N 2.453 122.362 119.950 -0.068 0.000 2.284 6 F HA 0.136 4.663 4.527 -0.000 0.000 0.297 6 F C 0.743 176.488 175.800 -0.090 0.000 1.215 6 F CA -0.693 57.215 58.000 -0.154 0.000 1.120 6 F CB 0.580 39.489 39.000 -0.153 0.000 1.426 6 F HN 0.289 nan 8.300 nan 0.000 0.514 7 K N 1.960 121.733 120.400 -1.045 0.000 2.405 7 K HA 0.166 4.486 4.320 -0.000 0.000 0.276 7 K C -1.477 175.090 176.600 -0.056 0.000 1.099 7 K CA 0.016 56.006 56.287 -0.495 0.000 1.120 7 K CB -0.318 31.813 32.500 -0.616 0.000 0.877 7 K HN 0.427 nan 8.250 nan 0.000 0.472 8 V N 4.548 124.470 119.914 0.014 0.000 2.294 8 V HA 0.056 4.176 4.120 -0.000 0.000 0.272 8 V C 0.756 176.895 176.094 0.076 0.000 1.027 8 V CA -0.177 62.180 62.300 0.094 0.000 0.823 8 V CB 0.926 32.858 31.823 0.182 0.000 1.030 8 V HN 0.905 nan 8.190 nan 0.000 0.457 9 S N 3.360 119.080 115.700 0.033 0.000 2.527 9 S HA 0.186 4.656 4.470 -0.000 0.000 0.227 9 S C 0.888 175.468 174.600 -0.034 0.000 1.059 9 S CA 0.593 58.802 58.200 0.015 0.000 0.919 9 S CB 0.358 63.564 63.200 0.010 0.000 0.805 9 S HN 0.867 nan 8.310 nan 0.000 0.500 10 S N -0.251 115.362 115.700 -0.144 0.000 2.806 10 S HA 0.337 4.807 4.470 -0.000 0.000 0.306 10 S C 1.290 175.384 174.600 -0.844 0.000 1.167 10 S CA -0.143 57.849 58.200 -0.347 0.000 0.847 10 S CB 0.483 63.560 63.200 -0.204 0.000 1.216 10 S HN 0.619 nan 8.310 nan 0.000 0.532 11 c N -0.042 117.863 118.600 -1.157 0.000 2.432 11 c HA 0.202 4.772 4.570 -0.000 0.000 0.280 11 c C 2.557 176.247 174.090 -0.668 0.000 1.353 11 c CA 0.962 56.333 56.329 -1.597 0.000 1.766 11 c CB -1.637 40.068 42.510 -1.343 0.000 1.924 11 c HN 0.972 nan 8.230 nan 0.000 0.509 12 R N 1.321 121.581 120.500 -0.399 0.000 2.090 12 R HA -0.035 4.305 4.340 -0.000 0.000 0.228 12 R C 2.197 178.415 176.300 -0.137 0.000 1.110 12 R CA 1.481 57.459 56.100 -0.203 0.000 0.973 12 R CB -0.334 29.888 30.300 -0.130 0.000 0.869 12 R HN 0.642 nan 8.270 nan 0.000 0.440 13 E N -0.264 119.858 120.200 -0.128 0.000 2.418 13 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 13 E C 1.837 178.451 176.600 0.024 0.000 1.026 13 E CA 0.653 57.045 56.400 -0.013 0.000 0.862 13 E CB -0.001 29.721 29.700 0.037 0.000 0.799 13 E HN 0.398 nan 8.360 nan 0.000 0.518 14 c N 0.525 119.105 118.600 -0.035 0.000 2.485 14 c HA 0.023 4.593 4.570 -0.000 0.000 0.278 14 c C 2.265 176.382 174.090 0.046 0.000 1.356 14 c CA -0.051 56.329 56.329 0.085 0.000 1.747 14 c CB -0.534 42.130 42.510 0.257 0.000 2.001 14 c HN 0.289 nan 8.230 nan 0.000 0.501 15 I N 1.196 121.755 120.570 -0.018 0.000 2.439 15 I HA -0.036 4.134 4.170 -0.000 0.000 0.251 15 I C 2.144 178.237 176.117 -0.041 0.000 1.139 15 I CA 1.349 62.636 61.300 -0.021 0.000 1.438 15 I CB -1.508 36.467 38.000 -0.043 0.000 1.085 15 I HN 0.484 nan 8.210 nan 0.000 0.427 16 E N 0.370 120.536 120.200 -0.058 0.000 2.438 16 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 16 E C 1.683 178.191 176.600 -0.153 0.000 1.110 16 E CA 0.033 56.369 56.400 -0.108 0.000 0.893 16 E CB 0.130 29.756 29.700 -0.124 0.000 0.990 16 E HN 0.323 nan 8.360 nan 0.000 0.490 17 S N -0.293 115.357 115.700 -0.085 0.000 2.468 17 S HA 0.216 4.686 4.470 -0.000 0.000 0.226 17 S C 0.743 175.269 174.600 -0.123 0.000 1.051 17 S CA 0.462 58.606 58.200 -0.092 0.000 0.943 17 S CB 0.923 64.128 63.200 0.008 0.000 0.810 17 S HN 0.412 nan 8.310 nan 0.000 0.509 18 G N 0.422 109.175 108.800 -0.078 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 -2.932 171.947 174.900 -0.035 0.000 1.448 18 G CA -0.777 44.280 45.100 -0.071 0.000 0.838 18 G HN -0.165 nan 8.290 nan 0.000 0.579 19 P HA 0.025 nan 4.420 nan 0.000 0.215 19 P C 1.761 179.060 177.300 -0.001 0.000 1.157 19 P CA 1.854 64.947 63.100 -0.011 0.000 0.868 19 P CB 0.161 31.855 31.700 -0.010 0.000 0.788 20 G N -1.651 107.148 108.800 -0.001 0.000 3.332 20 G HA2 0.063 4.023 3.960 -0.000 0.000 0.242 20 G HA3 0.063 4.023 3.960 -0.000 0.000 0.242 20 G C -0.228 174.681 174.900 0.015 0.000 1.276 20 G CA -0.111 44.993 45.100 0.007 0.000 0.988 20 G HN 0.266 nan 8.290 nan 0.000 0.517 21 c N 1.481 120.093 118.600 0.020 0.000 2.295 21 c HA 0.723 5.293 4.570 -0.000 0.000 0.331 21 c C 0.741 174.867 174.090 0.060 0.000 1.280 21 c CA -0.662 55.692 56.329 0.041 0.000 1.746 21 c CB 0.176 42.712 42.510 0.042 0.000 2.328 21 c HN 0.519 nan 8.230 nan 0.000 0.521 22 T N 0.621 115.218 114.554 0.072 0.000 2.942 22 T HA 0.710 5.060 4.350 -0.000 0.000 0.289 22 T C -0.954 173.841 174.700 0.159 0.000 1.044 22 T CA -0.621 61.533 62.100 0.090 0.000 1.023 22 T CB 1.970 70.860 68.868 0.036 0.000 1.123 22 T HN 0.825 nan 8.240 nan 0.000 0.512 23 W N 0.704 121.969 121.300 -0.058 0.000 2.936 23 W HA 0.604 5.264 4.660 -0.000 0.000 0.338 23 W C -1.691 174.757 176.519 -0.119 0.000 1.121 23 W CA -1.442 55.856 57.345 -0.078 0.000 1.209 23 W CB 1.976 31.405 29.460 -0.052 0.000 1.420 23 W HN 0.970 nan 8.180 nan 0.000 0.516 24 c N 6.027 124.082 118.600 -0.909 0.000 2.351 24 c HA 0.305 4.875 4.570 -0.000 0.000 0.326 24 c C 1.200 174.897 174.090 -0.655 0.000 1.272 24 c CA -0.173 55.737 56.329 -0.698 0.000 1.650 24 c CB 0.875 42.844 42.510 -0.902 0.000 2.257 24 c HN 0.786 nan 8.230 nan 0.000 0.505 25 Q N 3.109 122.794 119.800 -0.191 0.000 2.378 25 Q HA 0.120 4.460 4.340 -0.000 0.000 0.216 25 Q C 0.564 176.537 176.000 -0.045 0.000 0.892 25 Q CA -0.036 55.777 55.803 0.017 0.000 0.931 25 Q CB 0.079 28.892 28.738 0.126 0.000 1.086 25 Q HN 0.707 nan 8.270 nan 0.000 0.528 26 K N 2.007 122.337 120.400 -0.117 0.000 2.437 26 K HA 0.034 4.354 4.320 -0.000 0.000 0.277 26 K C -0.419 176.184 176.600 0.005 0.000 1.073 26 K CA -0.111 56.147 56.287 -0.048 0.000 1.105 26 K CB 0.321 32.792 32.500 -0.048 0.000 0.881 26 K HN 0.192 nan 8.250 nan 0.000 0.475 27 L N 3.768 125.011 121.223 0.034 0.000 2.468 27 L HA -0.050 4.290 4.340 -0.000 0.000 0.253 27 L C 0.878 177.795 176.870 0.078 0.000 1.237 27 L CA -0.100 54.771 54.840 0.051 0.000 0.823 27 L CB 0.105 42.185 42.059 0.035 0.000 1.124 27 L HN 0.928 nan 8.230 nan 0.000 0.504 28 N N -0.464 118.272 118.700 0.059 0.000 2.713 28 N HA -0.309 4.431 4.740 -0.000 0.000 0.251 28 N C 0.300 175.845 175.510 0.058 0.000 1.117 28 N CA 1.250 54.325 53.050 0.041 0.000 0.770 28 N CB -1.479 37.023 38.487 0.025 0.000 1.137 28 N HN 0.563 nan 8.380 nan 0.000 0.566 29 F N 0.639 120.553 119.950 -0.060 0.000 2.569 29 F HA 0.120 4.647 4.527 -0.000 0.000 0.295 29 F C 0.755 176.510 175.800 -0.076 0.000 1.115 29 F CA 0.662 58.617 58.000 -0.076 0.000 1.450 29 F CB 0.445 39.377 39.000 -0.112 0.000 1.107 29 F HN -0.149 nan 8.300 nan 0.000 0.563 30 T N 1.522 116.089 114.554 0.021 0.000 2.761 30 T HA 0.421 4.770 4.350 -0.000 0.000 0.296 30 T C 0.718 175.363 174.700 -0.092 0.000 0.934 30 T CA -0.043 62.032 62.100 -0.042 0.000 1.091 30 T CB 0.766 69.638 68.868 0.008 0.000 0.896 30 T HN 0.317 nan 8.240 nan 0.000 0.515 31 G N 3.786 112.510 108.800 -0.128 0.000 2.683 31 G HA2 0.221 4.181 3.960 -0.000 0.000 0.260 31 G HA3 0.221 4.181 3.960 -0.000 0.000 0.260 31 G C -1.235 173.628 174.900 -0.061 0.000 1.238 31 G CA -1.228 43.809 45.100 -0.105 0.000 0.934 31 G HN 0.407 nan 8.290 nan 0.000 0.534 32 P HA -0.079 nan 4.420 nan 0.000 0.217 32 P C 0.985 178.272 177.300 -0.023 0.000 1.158 32 P CA 2.180 65.263 63.100 -0.029 0.000 0.887 32 P CB 0.133 31.818 31.700 -0.025 0.000 0.792 33 G N -1.230 107.554 108.800 -0.026 0.000 4.632 33 G HA2 0.179 4.139 3.960 -0.000 0.000 0.244 33 G HA3 0.179 4.139 3.960 -0.000 0.000 0.244 33 G C -1.175 173.708 174.900 -0.028 0.000 1.070 33 G CA -0.214 44.874 45.100 -0.021 0.000 0.791 33 G HN -0.048 nan 8.290 nan 0.000 0.544 34 D N 1.038 121.416 120.400 -0.037 0.000 2.272 34 D HA 0.492 5.132 4.640 -0.000 0.000 0.247 34 D C -2.262 174.014 176.300 -0.040 0.000 0.990 34 D CA -1.426 52.549 54.000 -0.042 0.000 0.931 34 D CB 2.140 42.905 40.800 -0.058 0.000 1.195 34 D HN 0.029 nan 8.370 nan 0.000 0.477 35 P HA 0.107 nan 4.420 nan 0.000 0.269 35 P C 0.243 177.537 177.300 -0.010 0.000 1.215 35 P CA -0.161 62.910 63.100 -0.049 0.000 0.780 35 P CB 0.740 32.394 31.700 -0.078 0.000 0.898 36 D N -0.262 120.143 120.400 0.010 0.000 2.323 36 D HA -0.082 4.558 4.640 -0.000 0.000 0.209 36 D C 1.507 177.843 176.300 0.060 0.000 0.973 36 D CA 1.020 55.048 54.000 0.045 0.000 0.874 36 D CB -0.207 40.643 40.800 0.084 0.000 0.930 36 D HN 0.361 nan 8.370 nan 0.000 0.521 37 S N 0.565 116.299 115.700 0.057 0.000 2.555 37 S HA -0.068 4.401 4.470 -0.000 0.000 0.230 37 S C 2.140 176.764 174.600 0.040 0.000 0.978 37 S CA -0.002 58.249 58.200 0.086 0.000 0.934 37 S CB -0.719 62.520 63.200 0.066 0.000 0.766 37 S HN 0.502 nan 8.310 nan 0.000 0.533 38 I N -0.672 119.906 120.570 0.012 0.000 2.676 38 I HA 0.026 4.195 4.170 -0.000 0.000 0.259 38 I C 2.241 178.342 176.117 -0.027 0.000 1.194 38 I CA 0.613 61.931 61.300 0.030 0.000 1.473 38 I CB -0.376 37.666 38.000 0.069 0.000 1.096 38 I HN 0.082 nan 8.210 nan 0.000 0.443 39 R N 0.516 120.886 120.500 -0.218 0.000 2.241 39 R HA -0.014 4.325 4.340 -0.000 0.000 0.224 39 R C 0.674 176.599 176.300 -0.625 0.000 1.101 39 R CA 0.701 56.405 56.100 -0.660 0.000 0.995 39 R CB -0.380 29.164 30.300 -1.261 0.000 0.870 39 R HN 0.444 nan 8.270 nan 0.000 0.463 40 c N 1.659 120.129 118.600 -0.218 0.000 2.206 40 c HA 0.328 4.898 4.570 -0.000 0.000 0.324 40 c C -0.522 173.588 174.090 0.033 0.000 1.120 40 c CA -0.763 55.592 56.329 0.044 0.000 1.546 40 c CB -0.660 42.030 42.510 0.300 0.000 2.023 40 c HN 0.295 nan 8.230 nan 0.000 0.448 41 D N 1.608 122.007 120.400 -0.001 0.000 2.989 41 D HA 0.528 5.168 4.640 -0.000 0.000 0.284 41 D C -0.165 176.145 176.300 0.017 0.000 1.212 41 D CA 0.183 54.193 54.000 0.016 0.000 1.055 41 D CB 1.869 42.675 40.800 0.010 0.000 1.351 41 D HN 0.509 nan 8.370 nan 0.000 0.611 42 T N -1.665 112.898 114.554 0.015 0.000 2.922 42 T HA 0.326 4.676 4.350 -0.000 0.000 0.285 42 T C 1.206 175.907 174.700 0.002 0.000 1.005 42 T CA -0.485 61.622 62.100 0.013 0.000 1.061 42 T CB 1.664 70.542 68.868 0.016 0.000 1.007 42 T HN 0.450 nan 8.240 nan 0.000 0.502 43 R N 1.375 121.876 120.500 0.002 0.000 2.113 43 R HA -0.094 4.246 4.340 -0.000 0.000 0.244 43 R C -0.924 175.374 176.300 -0.003 0.000 1.142 43 R CA 1.805 57.902 56.100 -0.005 0.000 0.953 43 R CB -1.519 28.782 30.300 0.000 0.000 0.860 43 R HN 0.535 nan 8.270 nan 0.000 0.438 44 P HA -0.151 nan 4.420 nan 0.000 0.215 44 P C 0.953 178.261 177.300 0.013 0.000 1.157 44 P CA 1.203 64.308 63.100 0.008 0.000 0.868 44 P CB -0.095 31.611 31.700 0.010 0.000 0.788 45 Q N -0.616 119.193 119.800 0.015 0.000 2.124 45 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 45 Q C 2.307 178.328 176.000 0.034 0.000 0.977 45 Q CA 1.218 57.036 55.803 0.025 0.000 0.850 45 Q CB -1.044 27.710 28.738 0.027 0.000 0.901 45 Q HN 0.361 nan 8.270 nan 0.000 0.429 46 L N 0.045 121.275 121.223 0.011 0.000 2.046 46 L HA -0.188 4.151 4.340 -0.000 0.000 0.208 46 L C 2.402 179.289 176.870 0.029 0.000 1.077 46 L CA 0.926 55.764 54.840 -0.004 0.000 0.747 46 L CB -0.509 41.500 42.059 -0.083 0.000 0.896 46 L HN 0.191 nan 8.230 nan 0.000 0.432 47 L N -1.027 120.205 121.223 0.016 0.000 2.141 47 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 47 L C 2.573 179.464 176.870 0.035 0.000 1.094 47 L CA 1.041 55.895 54.840 0.023 0.000 0.763 47 L CB -0.332 41.734 42.059 0.011 0.000 0.908 47 L HN 0.352 nan 8.230 nan 0.000 0.437 48 M N -0.412 119.209 119.600 0.035 0.000 2.319 48 M HA -0.142 4.338 4.480 -0.000 0.000 0.265 48 M C 2.195 178.519 176.300 0.041 0.000 1.068 48 M CA 1.513 56.832 55.300 0.031 0.000 1.118 48 M CB 0.041 32.656 32.600 0.025 0.000 1.395 48 M HN 0.102 nan 8.290 nan 0.000 0.435 49 R N -0.743 119.802 120.500 0.075 0.000 2.173 49 R HA 0.139 4.479 4.340 -0.000 0.000 0.208 49 R C 1.403 177.764 176.300 0.103 0.000 1.035 49 R CA 0.894 57.048 56.100 0.091 0.000 1.004 49 R CB 0.281 30.700 30.300 0.199 0.000 0.917 49 R HN 0.642 nan 8.270 nan 0.000 0.462 50 G N 0.202 109.085 108.800 0.139 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 0.106 175.106 174.900 0.167 0.000 1.001 50 G CA -0.258 44.918 45.100 0.127 0.000 0.693 50 G HN 0.335 nan 8.290 nan 0.000 0.479 51 c N 3.197 121.937 118.600 0.233 0.000 2.517 51 c HA 0.537 5.107 4.570 -0.000 0.000 0.403 51 c C 1.733 175.815 174.090 -0.014 0.000 1.467 51 c CA 0.291 56.633 56.329 0.022 0.000 1.542 51 c CB -1.374 40.980 42.510 -0.261 0.000 2.482 51 c HN 1.491 nan 8.230 nan 0.000 0.610 52 A N 5.307 128.118 122.820 -0.015 0.000 2.492 52 A HA 0.443 4.763 4.320 -0.000 0.000 0.236 52 A C 1.346 178.913 177.584 -0.027 0.000 1.078 52 A CA 0.582 52.612 52.037 -0.011 0.000 0.773 52 A CB 0.034 19.030 19.000 -0.006 0.000 1.023 52 A HN 1.756 nan 8.150 nan 0.000 0.504 53 A N 0.608 123.419 122.820 -0.014 0.000 1.929 53 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 53 A C 1.411 178.987 177.584 -0.014 0.000 1.176 53 A CA 1.726 53.754 52.037 -0.014 0.000 0.628 53 A CB -0.569 18.427 19.000 -0.006 0.000 0.816 53 A HN 0.904 nan 8.150 nan 0.000 0.444 54 D N -0.661 119.733 120.400 -0.010 0.000 2.363 54 D HA -0.035 4.605 4.640 -0.000 0.000 0.226 54 D C 0.317 176.613 176.300 -0.007 0.000 1.020 54 D CA 0.608 54.604 54.000 -0.005 0.000 0.892 54 D CB -0.241 40.558 40.800 -0.002 0.000 0.900 54 D HN 0.291 nan 8.370 nan 0.000 0.531 55 D N -0.048 120.339 120.400 -0.022 0.000 2.369 55 D HA 0.153 4.793 4.640 -0.000 0.000 0.211 55 D C 0.328 176.604 176.300 -0.040 0.000 1.077 55 D CA -0.130 53.850 54.000 -0.033 0.000 0.842 55 D CB 0.688 41.449 40.800 -0.066 0.000 0.947 55 D HN 0.337 nan 8.370 nan 0.000 0.509 56 I N 2.498 123.050 120.570 -0.030 0.000 2.256 56 I HA 0.059 4.229 4.170 -0.000 0.000 0.294 56 I C 0.344 176.480 176.117 0.032 0.000 1.127 56 I CA -0.300 60.988 61.300 -0.019 0.000 1.247 56 I CB 0.258 38.241 38.000 -0.027 0.000 1.460 56 I HN -0.328 nan 8.210 nan 0.000 0.511 57 M N 4.997 124.648 119.600 0.086 0.000 2.269 57 M HA 0.047 4.527 4.480 -0.000 0.000 0.350 57 M C -0.139 176.209 176.300 0.080 0.000 1.429 57 M CA 0.782 56.138 55.300 0.093 0.000 1.063 57 M CB -0.176 32.509 32.600 0.142 0.000 1.841 57 M HN 0.381 nan 8.290 nan 0.000 0.455 58 D N 5.597 126.024 120.400 0.045 0.000 2.411 58 D HA 0.395 5.035 4.640 -0.000 0.000 0.239 58 D C -2.576 173.737 176.300 0.021 0.000 1.307 58 D CA -1.223 52.798 54.000 0.035 0.000 0.930 58 D CB 1.077 41.894 40.800 0.027 0.000 1.395 58 D HN 0.199 nan 8.370 nan 0.000 0.536 59 P HA 0.263 nan 4.420 nan 0.000 0.269 59 P C -0.633 176.677 177.300 0.017 0.000 1.252 59 P CA 0.008 63.117 63.100 0.015 0.000 0.780 59 P CB 0.944 32.653 31.700 0.013 0.000 0.829 60 T N 1.398 115.961 114.554 0.014 0.000 2.912 60 T HA 0.380 4.730 4.350 -0.000 0.000 0.288 60 T C 0.047 174.764 174.700 0.028 0.000 1.030 60 T CA -0.580 61.531 62.100 0.018 0.000 1.020 60 T CB 1.034 69.909 68.868 0.012 0.000 1.056 60 T HN 0.094 nan 8.240 nan 0.000 0.480 61 S N 2.095 117.819 115.700 0.040 0.000 2.548 61 S HA 0.610 5.080 4.470 -0.000 0.000 0.277 61 S C -0.139 174.496 174.600 0.058 0.000 1.315 61 S CA -0.694 57.543 58.200 0.063 0.000 1.050 61 S CB -0.123 63.117 63.200 0.068 0.000 0.918 61 S HN 0.580 nan 8.310 nan 0.000 0.497 62 L N -0.355 120.911 121.223 0.071 0.000 2.669 62 L HA 1.066 5.406 4.340 -0.000 0.000 0.255 62 L C -1.023 175.897 176.870 0.083 0.000 1.123 62 L CA -1.295 53.576 54.840 0.053 0.000 0.941 62 L CB 1.082 43.135 42.059 -0.010 0.000 1.552 62 L HN 0.563 nan 8.230 nan 0.000 0.394 63 A N -0.341 122.514 122.820 0.058 0.000 2.393 63 A HA 0.734 5.054 4.320 -0.000 0.000 0.306 63 A C -1.219 176.378 177.584 0.021 0.000 1.050 63 A CA -0.330 51.742 52.037 0.057 0.000 0.724 63 A CB 1.559 20.623 19.000 0.106 0.000 1.248 63 A HN 0.762 nan 8.150 nan 0.000 0.424 64 E N 1.946 122.155 120.200 0.015 0.000 2.101 64 E HA 0.359 4.709 4.350 -0.000 0.000 0.260 64 E C -0.470 176.117 176.600 -0.022 0.000 0.897 64 E CA -0.356 56.049 56.400 0.010 0.000 0.744 64 E CB 0.571 30.317 29.700 0.078 0.000 1.140 64 E HN 0.623 nan 8.360 nan 0.000 0.419 65 T N 2.025 116.572 114.554 -0.012 0.000 3.364 65 T HA 0.207 4.557 4.350 -0.000 0.000 0.323 65 T C 0.178 174.866 174.700 -0.019 0.000 1.323 65 T CA -0.687 61.406 62.100 -0.011 0.000 1.073 65 T CB 0.362 69.241 68.868 0.018 0.000 1.150 65 T HN 0.406 nan 8.240 nan 0.000 0.727 66 Q N 2.749 122.531 119.800 -0.031 0.000 2.534 66 Q HA 0.134 4.474 4.340 -0.000 0.000 0.223 66 Q C 0.023 175.996 176.000 -0.045 0.000 1.239 66 Q CA -0.030 55.750 55.803 -0.039 0.000 0.936 66 Q CB 0.453 29.168 28.738 -0.039 0.000 1.457 66 Q HN 0.698 nan 8.270 nan 0.000 0.547 67 E N 1.660 121.832 120.200 -0.046 0.000 2.383 67 E HA 0.029 4.379 4.350 -0.000 0.000 0.264 67 E C -0.479 176.066 176.600 -0.092 0.000 1.050 67 E CA -0.345 56.028 56.400 -0.044 0.000 0.896 67 E CB 0.782 30.465 29.700 -0.030 0.000 0.982 67 E HN 0.368 nan 8.360 nan 0.000 0.424 68 D N 0.608 120.968 120.400 -0.068 0.000 2.414 68 D HA 0.079 4.719 4.640 -0.000 0.000 0.259 68 D C 0.817 177.030 176.300 -0.145 0.000 1.269 68 D CA -0.076 53.864 54.000 -0.101 0.000 1.028 68 D CB 0.395 41.213 40.800 0.031 0.000 1.093 68 D HN 0.417 nan 8.370 nan 0.000 0.545 69 H N -0.392 118.685 119.070 0.011 0.000 2.435 69 H HA 0.173 4.729 4.556 -0.000 0.000 0.309 69 H C 0.399 175.735 175.328 0.012 0.000 1.041 69 H CA 0.610 56.664 56.048 0.010 0.000 1.277 69 H CB 0.045 29.812 29.762 0.009 0.000 1.455 69 H HN 0.187 nan 8.280 nan 0.000 0.581 70 N N -2.044 116.764 118.700 0.180 0.000 3.134 70 N HA 0.279 5.018 4.740 -0.000 0.000 0.235 70 N C -0.161 175.397 175.510 0.080 0.000 1.092 70 N CA 0.609 53.717 53.050 0.095 0.000 1.038 70 N CB 1.306 39.833 38.487 0.067 0.000 1.684 70 N HN 0.682 nan 8.380 nan 0.000 0.551 71 G N 0.607 109.448 108.800 0.068 0.000 2.157 71 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.248 71 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.248 71 G C 0.919 175.858 174.900 0.065 0.000 0.979 71 G CA 0.979 46.116 45.100 0.062 0.000 0.650 71 G HN 0.997 nan 8.290 nan 0.000 0.529 72 G N -0.823 108.025 108.800 0.080 0.000 2.464 72 G HA2 0.341 4.301 3.960 -0.000 0.000 0.214 72 G HA3 0.341 4.301 3.960 -0.000 0.000 0.214 72 G C 0.665 175.605 174.900 0.067 0.000 1.218 72 G CA 1.615 46.763 45.100 0.080 0.000 0.794 72 G HN 0.639 nan 8.290 nan 0.000 0.542 73 Q N -2.130 117.711 119.800 0.068 0.000 2.565 73 Q HA 0.418 4.758 4.340 -0.000 0.000 0.294 73 Q C 0.111 176.154 176.000 0.072 0.000 1.005 73 Q CA -0.789 55.057 55.803 0.072 0.000 0.771 73 Q CB 2.159 30.942 28.738 0.075 0.000 1.486 73 Q HN 0.072 nan 8.270 nan 0.000 0.422 74 K N 0.135 120.584 120.400 0.081 0.000 2.157 74 K HA 0.120 4.440 4.320 -0.000 0.000 0.207 74 K C 0.832 177.439 176.600 0.013 0.000 1.030 74 K CA 0.570 56.901 56.287 0.073 0.000 0.965 74 K CB 0.465 33.051 32.500 0.143 0.000 0.877 74 K HN 0.307 nan 8.250 nan 0.000 0.460 75 Q N 0.104 119.893 119.800 -0.019 0.000 2.093 75 Q HA 0.290 4.630 4.340 -0.000 0.000 0.217 75 Q C -0.591 175.409 176.000 0.000 0.000 0.785 75 Q CA 0.072 55.761 55.803 -0.190 0.000 1.038 75 Q CB 1.334 29.726 28.738 -0.576 0.000 1.190 75 Q HN 0.187 nan 8.270 nan 0.000 0.468 76 L N 2.253 123.595 121.223 0.199 0.000 2.283 76 L HA 0.397 4.737 4.340 -0.000 0.000 0.281 76 L C -0.229 176.746 176.870 0.174 0.000 1.033 76 L CA -0.339 54.678 54.840 0.296 0.000 0.848 76 L CB 1.055 43.272 42.059 0.264 0.000 1.226 76 L HN -0.003 nan 8.230 nan 0.000 0.429 77 S N 3.236 119.034 115.700 0.164 0.000 2.599 77 S HA 0.756 5.226 4.470 -0.000 0.000 0.287 77 S C -2.811 171.878 174.600 0.149 0.000 1.105 77 S CA -1.619 56.654 58.200 0.122 0.000 0.899 77 S CB 2.184 65.431 63.200 0.078 0.000 1.100 77 S HN 0.178 nan 8.310 nan 0.000 0.482 78 P HA 0.312 nan 4.420 nan 0.000 0.274 78 P C -0.335 177.009 177.300 0.074 0.000 1.260 78 P CA -0.156 62.994 63.100 0.084 0.000 0.793 78 P CB 0.479 32.219 31.700 0.068 0.000 1.048 79 Q N -1.106 118.716 119.800 0.038 0.000 2.378 79 Q HA 0.170 4.510 4.340 -0.000 0.000 0.216 79 Q C -0.084 175.911 176.000 -0.008 0.000 0.892 79 Q CA 1.010 56.830 55.803 0.029 0.000 0.931 79 Q CB 0.325 29.080 28.738 0.029 0.000 1.086 79 Q HN 0.413 nan 8.270 nan 0.000 0.528 80 K N 0.310 120.690 120.400 -0.033 0.000 2.687 80 K HA 0.419 4.739 4.320 -0.000 0.000 0.249 80 K C -1.560 174.970 176.600 -0.117 0.000 0.994 80 K CA -0.330 55.911 56.287 -0.078 0.000 0.913 80 K CB 2.577 35.040 32.500 -0.061 0.000 1.202 80 K HN -0.232 nan 8.250 nan 0.000 0.460 81 V N 2.611 122.400 119.914 -0.207 0.000 2.311 81 V HA 0.194 4.314 4.120 -0.000 0.000 0.275 81 V C -0.066 175.839 176.094 -0.316 0.000 1.022 81 V CA -0.497 61.612 62.300 -0.320 0.000 0.830 81 V CB 1.279 32.708 31.823 -0.657 0.000 1.012 81 V HN 0.681 nan 8.190 nan 0.000 0.452 82 T N 7.088 121.534 114.554 -0.181 0.000 3.151 82 T HA 0.431 4.781 4.350 -0.000 0.000 0.332 82 T C -0.104 174.571 174.700 -0.041 0.000 1.245 82 T CA -0.341 61.681 62.100 -0.129 0.000 1.019 82 T CB -0.233 68.614 68.868 -0.035 0.000 1.109 82 T HN 0.502 nan 8.240 nan 0.000 0.621 83 L N 0.589 121.731 121.223 -0.134 0.000 2.395 83 L HA 0.595 4.935 4.340 -0.000 0.000 0.269 83 L C -0.832 176.059 176.870 0.035 0.000 1.133 83 L CA -0.709 54.133 54.840 0.003 0.000 0.812 83 L CB -0.181 41.841 42.059 -0.062 0.000 1.125 83 L HN 0.257 nan 8.230 nan 0.000 0.452 84 Y N 3.823 124.103 120.300 -0.033 0.000 2.587 84 Y HA 0.562 5.112 4.550 -0.000 0.000 0.328 84 Y C -0.426 175.473 175.900 -0.002 0.000 0.980 84 Y CA -0.898 57.191 58.100 -0.018 0.000 1.272 84 Y CB 1.305 39.754 38.460 -0.018 0.000 1.094 84 Y HN 0.565 nan 8.280 nan 0.000 0.503 85 L N 4.936 126.212 121.223 0.088 0.000 2.265 85 L HA 0.520 4.860 4.340 -0.000 0.000 0.289 85 L C -0.081 176.817 176.870 0.046 0.000 1.033 85 L CA -0.787 54.094 54.840 0.069 0.000 0.814 85 L CB 0.749 42.841 42.059 0.054 0.000 1.203 85 L HN 0.579 nan 8.230 nan 0.000 0.423 86 R N 6.358 126.885 120.500 0.045 0.000 2.357 86 R HA 0.496 4.836 4.340 -0.000 0.000 0.296 86 R C -2.365 173.940 176.300 0.008 0.000 1.052 86 R CA -1.654 54.459 56.100 0.022 0.000 0.988 86 R CB 0.871 31.183 30.300 0.021 0.000 1.025 86 R HN 0.448 nan 8.270 nan 0.000 0.469 87 P HA 0.002 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 1.165 64.254 63.100 -0.018 0.000 0.763 87 P CB 0.788 32.466 31.700 -0.037 0.000 0.807 88 G N 1.490 110.279 108.800 -0.019 0.000 2.304 88 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.252 88 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.252 88 G C 0.212 175.107 174.900 -0.009 0.000 1.014 88 G CA 0.030 45.117 45.100 -0.022 0.000 0.619 88 G HN 0.639 nan 8.290 nan 0.000 0.525 89 Q N 0.718 120.518 119.800 0.000 0.000 2.293 89 Q HA 0.696 5.036 4.340 -0.000 0.000 0.261 89 Q C 0.072 176.084 176.000 0.021 0.000 0.960 89 Q CA -0.040 55.770 55.803 0.010 0.000 0.882 89 Q CB 1.390 30.136 28.738 0.014 0.000 1.275 89 Q HN 0.792 nan 8.270 nan 0.000 0.445 90 A N 2.369 125.202 122.820 0.022 0.000 2.328 90 A HA 0.697 5.017 4.320 -0.000 0.000 0.284 90 A C -0.656 176.959 177.584 0.051 0.000 1.160 90 A CA -0.242 51.812 52.037 0.028 0.000 0.818 90 A CB 0.779 19.786 19.000 0.012 0.000 1.087 90 A HN 0.745 nan 8.150 nan 0.000 0.504 91 A N 1.879 124.750 122.820 0.085 0.000 2.290 91 A HA 0.706 5.026 4.320 -0.000 0.000 0.310 91 A C 0.243 177.928 177.584 0.169 0.000 1.202 91 A CA 0.127 52.246 52.037 0.138 0.000 0.837 91 A CB 0.561 19.668 19.000 0.178 0.000 1.139 91 A HN 2.037 nan 8.150 nan 0.000 0.509 92 A N 2.416 125.327 122.820 0.151 0.000 2.304 92 A HA 0.790 5.110 4.320 -0.000 0.000 0.314 92 A C -0.695 176.999 177.584 0.183 0.000 1.187 92 A CA -0.516 51.564 52.037 0.071 0.000 0.810 92 A CB 0.169 19.181 19.000 0.020 0.000 1.183 92 A HN 1.512 nan 8.150 nan 0.000 0.487 93 F N 0.948 120.919 119.950 0.036 0.000 2.561 93 F HA 0.665 5.192 4.527 -0.000 0.000 0.313 93 F C -0.430 175.413 175.800 0.072 0.000 1.126 93 F CA -1.324 56.704 58.000 0.046 0.000 0.918 93 F CB 1.115 40.139 39.000 0.041 0.000 1.199 93 F HN 0.348 nan 8.300 nan 0.000 0.444 94 N N 1.176 119.965 118.700 0.149 0.000 2.445 94 N HA 0.596 5.336 4.740 -0.000 0.000 0.264 94 N C -1.133 174.490 175.510 0.188 0.000 1.227 94 N CA -0.599 52.517 53.050 0.109 0.000 0.963 94 N CB 1.839 40.378 38.487 0.086 0.000 1.188 94 N HN 0.544 nan 8.380 nan 0.000 0.491 95 V N 0.742 120.776 119.914 0.200 0.000 2.445 95 V HA 0.230 4.350 4.120 -0.000 0.000 0.283 95 V C -0.296 175.943 176.094 0.242 0.000 1.014 95 V CA -0.772 61.686 62.300 0.264 0.000 0.852 95 V CB 1.241 33.279 31.823 0.358 0.000 1.021 95 V HN 0.575 nan 8.190 nan 0.000 0.435 96 T N 5.765 120.430 114.554 0.185 0.000 2.761 96 T HA 0.465 4.815 4.350 -0.000 0.000 0.296 96 T C -0.708 174.129 174.700 0.229 0.000 0.934 96 T CA 0.377 62.563 62.100 0.144 0.000 1.091 96 T CB 0.101 69.015 68.868 0.077 0.000 0.896 96 T HN 0.461 nan 8.240 nan 0.000 0.515 97 F N 4.293 124.273 119.950 0.050 0.000 2.577 97 F HA 0.464 4.991 4.527 -0.000 0.000 0.344 97 F C 0.007 175.817 175.800 0.016 0.000 1.145 97 F CA -1.058 56.976 58.000 0.055 0.000 0.996 97 F CB 0.949 40.029 39.000 0.133 0.000 1.248 97 F HN 0.404 nan 8.300 nan 0.000 0.447 98 R N 6.594 126.814 120.500 -0.467 0.000 2.477 98 R HA 0.368 4.708 4.340 -0.000 0.000 0.285 98 R C -0.116 175.877 176.300 -0.511 0.000 1.415 98 R CA -0.731 55.157 56.100 -0.353 0.000 1.446 98 R CB 0.408 30.604 30.300 -0.175 0.000 1.110 98 R HN 0.847 nan 8.270 nan 0.000 0.590 99 R N 1.506 121.603 120.500 -0.671 0.000 2.655 99 R HA -0.138 4.202 4.340 -0.000 0.000 0.266 99 R C -0.025 176.156 176.300 -0.198 0.000 0.981 99 R CA 1.330 57.184 56.100 -0.410 0.000 1.098 99 R CB 0.628 30.884 30.300 -0.074 0.000 0.928 99 R HN 0.739 nan 8.270 nan 0.000 0.425 100 A N 3.457 126.197 122.820 -0.132 0.000 2.008 100 A HA 0.284 4.604 4.320 -0.000 0.000 0.201 100 A C -0.403 177.102 177.584 -0.131 0.000 1.794 100 A CA 0.407 52.369 52.037 -0.124 0.000 0.952 100 A CB 0.539 19.468 19.000 -0.118 0.000 1.147 100 A HN 0.629 nan 8.150 nan 0.000 0.589 101 K N -1.561 118.718 120.400 -0.201 0.000 2.579 101 K HA 0.472 4.792 4.320 -0.000 0.000 0.284 101 K C -0.737 175.657 176.600 -0.343 0.000 0.990 101 K CA -0.365 55.771 56.287 -0.251 0.000 0.880 101 K CB 1.637 33.974 32.500 -0.272 0.000 1.488 101 K HN 0.330 nan 8.250 nan 0.000 0.425 102 G N 1.330 109.995 108.800 -0.225 0.000 2.349 102 G HA2 0.316 4.276 3.960 -0.000 0.000 0.281 102 G HA3 0.316 4.276 3.960 -0.000 0.000 0.281 102 G C -0.807 174.012 174.900 -0.134 0.000 1.182 102 G CA 0.083 45.114 45.100 -0.114 0.000 0.899 102 G HN 0.307 nan 8.290 nan 0.000 0.455 103 Y N 2.448 122.811 120.300 0.105 0.000 2.289 103 Y HA 0.310 4.860 4.550 -0.000 0.000 0.332 103 Y C -1.525 174.433 175.900 0.096 0.000 1.324 103 Y CA -2.034 56.124 58.100 0.097 0.000 1.478 103 Y CB 0.376 38.907 38.460 0.119 0.000 1.378 103 Y HN 0.346 nan 8.280 nan 0.000 0.558 104 P HA -0.043 nan 4.420 nan 0.000 0.258 104 P C -0.374 177.034 177.300 0.180 0.000 1.172 104 P CA 0.529 63.732 63.100 0.171 0.000 0.762 104 P CB 0.246 32.032 31.700 0.144 0.000 0.764 105 I N 2.664 123.329 120.570 0.159 0.000 2.834 105 I HA 0.312 4.482 4.170 -0.000 0.000 0.305 105 I C -0.038 176.159 176.117 0.134 0.000 1.008 105 I CA -0.042 61.361 61.300 0.172 0.000 1.273 105 I CB 1.053 39.168 38.000 0.192 0.000 1.432 105 I HN 0.188 nan 8.210 nan 0.000 0.557 106 D N 5.676 126.167 120.400 0.152 0.000 2.445 106 D HA 0.293 4.933 4.640 -0.000 0.000 0.236 106 D C -0.963 175.448 176.300 0.186 0.000 1.315 106 D CA -0.275 53.809 54.000 0.140 0.000 0.924 106 D CB 0.647 41.575 40.800 0.213 0.000 1.447 106 D HN 0.316 nan 8.370 nan 0.000 0.532 107 L N 1.773 123.066 121.223 0.116 0.000 2.456 107 L HA 0.459 4.799 4.340 -0.000 0.000 0.257 107 L C -0.562 176.448 176.870 0.234 0.000 1.162 107 L CA -0.673 54.266 54.840 0.165 0.000 0.808 107 L CB 0.918 43.040 42.059 0.106 0.000 1.136 107 L HN 0.330 nan 8.230 nan 0.000 0.466 108 Y N 0.718 121.127 120.300 0.182 0.000 2.358 108 Y HA 0.228 4.778 4.550 -0.000 0.000 0.324 108 Y C -1.278 174.771 175.900 0.248 0.000 1.123 108 Y CA -0.735 57.502 58.100 0.228 0.000 1.067 108 Y CB 1.243 39.887 38.460 0.307 0.000 1.230 108 Y HN 0.343 nan 8.280 nan 0.000 0.429 109 Y N 7.331 127.594 120.300 -0.061 0.000 2.594 109 Y HA 0.429 4.979 4.550 -0.000 0.000 0.342 109 Y C -0.803 175.027 175.900 -0.117 0.000 1.010 109 Y CA -0.477 57.643 58.100 0.034 0.000 1.270 109 Y CB 0.369 38.961 38.460 0.221 0.000 1.125 109 Y HN 0.557 nan 8.280 nan 0.000 0.513 110 L N 7.832 129.050 121.223 -0.009 0.000 2.385 110 L HA 0.261 4.601 4.340 -0.000 0.000 0.285 110 L C -0.063 176.804 176.870 -0.004 0.000 1.125 110 L CA 0.079 55.009 54.840 0.150 0.000 0.890 110 L CB 0.062 42.295 42.059 0.292 0.000 1.251 110 L HN 0.627 nan 8.230 nan 0.000 0.445 111 M N 3.017 122.525 119.600 -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 -0.792 0.000 1.085 111 M CA -0.631 54.520 55.300 -0.249 0.000 1.001 111 M CB 1.573 34.316 32.600 0.238 0.000 1.626 111 M HN 0.287 nan 8.290 nan 0.000 0.442 112 D N 5.126 124.929 120.400 -0.995 0.000 2.358 112 D HA 0.179 4.819 4.640 -0.000 0.000 0.258 112 D C -1.005 175.045 176.300 -0.415 0.000 1.223 112 D CA 0.137 53.484 54.000 -1.089 0.000 0.886 112 D CB 0.500 40.965 40.800 -0.558 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 0.277 4.617 4.340 -0.000 0.000 0.278 113 L C 0.013 176.873 176.870 -0.016 0.000 1.088 113 L CA -0.327 54.491 54.840 -0.036 0.000 0.899 113 L CB 0.202 42.387 42.059 0.210 0.000 1.277 113 L HN 0.339 nan 8.230 nan 0.000 0.431 114 S N 0.156 115.857 115.700 0.001 0.000 2.810 114 S HA 0.267 4.737 4.470 -0.000 0.000 0.315 114 S C 0.260 174.918 174.600 0.096 0.000 1.138 114 S CA -0.496 57.741 58.200 0.061 0.000 0.889 114 S CB 1.372 64.609 63.200 0.062 0.000 1.236 114 S HN 0.464 nan 8.310 nan 0.000 0.548 115 Y N 1.770 122.089 120.300 0.032 0.000 2.561 115 Y HA -0.022 4.528 4.550 -0.000 0.000 0.291 115 Y C 2.344 178.262 175.900 0.031 0.000 1.141 115 Y CA 1.319 59.438 58.100 0.033 0.000 1.303 115 Y CB 0.048 38.527 38.460 0.033 0.000 1.015 115 Y HN 0.684 nan 8.280 nan 0.000 0.547 116 S N -1.282 114.509 115.700 0.152 0.000 2.501 116 S HA 0.011 4.480 4.470 -0.000 0.000 0.220 116 S C 1.099 175.721 174.600 0.035 0.000 0.997 116 S CA 0.247 58.507 58.200 0.100 0.000 0.919 116 S CB -0.080 63.185 63.200 0.107 0.000 0.778 116 S HN 0.231 nan 8.310 nan 0.000 0.523 117 M N 1.623 121.229 119.600 0.010 0.000 3.007 117 M HA 0.425 4.904 4.480 -0.000 0.000 0.288 117 M C 0.470 176.743 176.300 -0.046 0.000 1.246 117 M CA -0.117 55.178 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 -0.132 4.208 4.340 -0.000 0.000 0.202 118 L C 1.967 178.781 176.870 -0.094 0.000 1.079 118 L CA 1.253 55.999 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 -1.064 119.294 120.400 -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 0.854 54.830 54.000 -0.040 0.000 0.894 119 D CB -0.406 40.380 40.800 -0.022 0.000 0.909 119 D HN 0.255 nan 8.370 nan 0.000 0.520 120 D N 0.254 120.648 120.400 -0.010 0.000 2.120 120 D HA -0.026 4.614 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 0.374 54.384 54.000 0.017 0.000 0.837 120 D CB -0.308 40.515 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 -0.097 4.243 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 0.973 55.789 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 -0.076 120.391 120.500 -0.055 0.000 2.062 122 R HA -0.092 4.248 4.340 -0.000 0.000 0.226 122 R C 1.380 177.651 176.300 -0.048 0.000 1.125 122 R CA 1.697 57.762 56.100 -0.057 0.000 0.966 122 R CB -0.169 30.100 30.300 -0.051 0.000 0.861 122 R HN 0.401 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 -0.031 175.462 175.510 -0.027 0.000 1.183 123 N CA -0.087 52.949 53.050 -0.022 0.000 0.849 123 N CB 1.048 39.533 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 -0.103 62.148 62.300 -0.081 0.000 1.020 124 V CB 0.342 32.134 31.823 -0.050 0.000 0.854 124 V HN 0.246 nan 8.190 nan 0.000 0.408 125 K N 1.825 122.142 120.400 -0.137 0.000 2.173 125 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 125 K C 0.650 177.126 176.600 -0.207 0.000 1.046 125 K CA 1.565 57.738 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 0.368 nan 8.250 nan 0.000 0.453 126 K N 0.557 120.869 120.400 -0.147 0.000 3.306 126 K HA 0.192 4.512 4.320 -0.000 0.000 0.169 126 K C -1.590 174.962 176.600 -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 33.426 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 0.413 177.256 176.870 -0.045 0.000 1.141 127 L CA 0.202 55.011 54.840 -0.053 0.000 0.973 127 L CB 0.811 42.845 42.059 -0.043 0.000 1.319 127 L HN 0.407 nan 8.230 nan 0.000 0.455 128 G N 0.524 109.307 108.800 -0.030 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 0.956 175.840 174.900 -0.026 0.000 1.022 128 G CA 0.388 45.475 45.100 -0.022 0.000 0.880 128 G HN 0.627 nan 8.290 nan 0.000 0.533 129 G N 1.464 110.252 108.800 -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 1.252 176.143 174.900 -0.015 0.000 1.133 129 G CA 1.313 46.402 45.100 -0.019 0.000 0.791 129 G HN 0.449 nan 8.290 nan 0.000 0.538 130 D N 0.123 120.516 120.400 -0.011 0.000 2.360 130 D HA 0.053 4.693 4.640 -0.000 0.000 0.210 130 D C 2.110 178.412 176.300 0.004 0.000 1.047 130 D CA -0.161 53.838 54.000 -0.003 0.000 0.854 130 D CB -0.225 40.576 40.800 0.001 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 2.134 179.002 176.870 -0.003 0.000 1.076 131 L CA 0.412 55.253 54.840 0.001 0.000 0.761 131 L CB -0.258 41.789 42.059 -0.020 0.000 0.921 131 L HN -0.017 nan 8.230 nan 0.000 0.444 132 L N -0.220 120.989 121.223 -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 56.264 54.840 -0.021 0.000 0.775 132 L CB -0.677 41.361 42.059 -0.034 0.000 0.913 132 L HN 0.159 nan 8.230 nan 0.000 0.440 133 R N -0.349 120.148 120.500 -0.006 0.000 2.115 133 R HA -0.065 4.275 4.340 -0.000 0.000 0.226 133 R C 2.034 178.337 176.300 0.005 0.000 1.100 133 R CA 1.128 57.227 56.100 -0.002 0.000 0.980 133 R CB -0.089 30.210 30.300 -0.002 0.000 0.875 133 R HN 0.325 nan 8.270 nan 0.000 0.445 134 A N 0.407 123.236 122.820 0.016 0.000 2.169 134 A HA -0.010 4.310 4.320 -0.000 0.000 0.212 134 A C 1.697 179.301 177.584 0.033 0.000 1.153 134 A CA 0.362 52.417 52.037 0.029 0.000 0.756 134 A CB -0.029 19.000 19.000 0.048 0.000 0.813 134 A HN 0.364 nan 8.150 nan 0.000 0.471 135 L N -0.746 120.493 121.223 0.026 0.000 2.513 135 L HA 0.188 4.528 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 56.241 54.840 0.027 0.000 0.857 135 L CB -0.532 41.545 42.059 0.031 0.000 1.026 135 L HN 0.316 nan 8.230 nan 0.000 0.469 136 N N 0.426 119.122 118.700 -0.007 0.000 2.120 136 N HA -0.221 4.518 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 1.827 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 0.314 120.495 120.200 -0.032 0.000 2.000 137 E HA -0.133 4.217 4.350 -0.000 0.000 0.199 137 E C 2.015 178.575 176.600 -0.067 0.000 1.011 137 E CA 1.461 57.834 56.400 -0.045 0.000 0.836 137 E CB -0.301 29.372 29.700 -0.046 0.000 0.778 137 E HN 0.305 nan 8.360 nan 0.000 0.462 138 I N 0.524 121.031 120.570 -0.104 0.000 2.130 138 I HA -0.055 4.114 4.170 -0.000 0.000 0.234 138 I C 1.126 177.176 176.117 -0.110 0.000 1.067 138 I CA 1.022 62.233 61.300 -0.147 0.000 1.339 138 I CB -1.738 36.089 38.000 -0.290 0.000 1.073 138 I HN 0.051 nan 8.210 nan 0.000 0.405 139 T N 2.022 116.522 114.554 -0.091 0.000 2.874 139 T HA 0.283 4.633 4.350 -0.000 0.000 0.281 139 T C 0.715 175.406 174.700 -0.014 0.000 0.994 139 T CA -0.618 61.463 62.100 -0.031 0.000 1.015 139 T CB 1.849 70.733 68.868 0.026 0.000 1.028 139 T HN 0.369 nan 8.240 nan 0.000 0.523 140 E N 0.407 120.608 120.200 0.002 0.000 3.497 140 E HA 0.257 4.607 4.350 -0.000 0.000 0.384 140 E C 0.111 176.718 176.600 0.011 0.000 0.451 140 E CA -0.699 55.702 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 0.784 116.492 115.700 0.013 0.000 2.670 141 S HA 0.296 4.766 4.470 -0.000 0.000 0.328 141 S C 0.424 175.037 174.600 0.022 0.000 1.179 141 S CA -0.474 57.733 58.200 0.012 0.000 1.194 141 S CB -0.216 62.991 63.200 0.011 0.000 1.359 141 S HN 0.578 nan 8.310 nan 0.000 0.555 142 G N 2.552 111.362 108.800 0.017 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 -0.197 174.701 174.900 -0.005 0.000 1.422 142 G CA -0.990 44.126 45.100 0.027 0.000 1.051 142 G HN 0.594 nan 8.290 nan 0.000 0.560 143 R N -1.528 118.961 120.500 -0.018 0.000 2.771 143 R HA 0.584 4.924 4.340 -0.000 0.000 0.274 143 R C -1.709 174.511 176.300 -0.134 0.000 0.987 143 R CA -0.699 55.358 56.100 -0.070 0.000 0.908 143 R CB 1.780 32.047 30.300 -0.056 0.000 1.213 143 R HN 0.342 nan 8.270 nan 0.000 0.468 144 I N 0.119 120.540 120.570 -0.248 0.000 2.534 144 I HA 0.547 4.717 4.170 -0.000 0.000 0.288 144 I C 0.197 176.016 176.117 -0.497 0.000 1.077 144 I CA -0.259 60.759 61.300 -0.470 0.000 1.051 144 I CB 2.360 39.874 38.000 -0.810 0.000 1.234 144 I HN 0.710 nan 8.210 nan 0.000 0.425 145 G N 4.216 112.871 108.800 -0.241 0.000 2.605 145 G HA2 0.770 4.730 3.960 -0.000 0.000 0.296 145 G HA3 0.770 4.730 3.960 -0.000 0.000 0.296 145 G C -2.076 172.843 174.900 0.033 0.000 1.304 145 G CA -0.589 44.555 45.100 0.073 0.000 0.941 145 G HN 0.321 nan 8.290 nan 0.000 0.475 146 F N 0.178 119.924 119.950 -0.341 0.000 2.588 146 F HA 0.762 5.288 4.527 -0.000 0.000 0.310 146 F C -0.038 175.366 175.800 -0.660 0.000 1.082 146 F CA -0.512 57.179 58.000 -0.515 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 2.725 110.818 108.800 -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 -1.880 172.736 174.900 -0.473 0.000 1.457 147 G CA -0.670 44.235 45.100 -0.324 0.000 1.098 147 G HN 0.766 nan 8.290 nan 0.000 0.536 148 S N 0.606 116.180 115.700 -0.210 0.000 2.687 148 S HA 0.934 5.404 4.470 -0.000 0.000 0.283 148 S C -0.706 174.141 174.600 0.413 0.000 1.170 148 S CA -0.606 57.636 58.200 0.070 0.000 1.008 148 S CB 0.703 64.086 63.200 0.306 0.000 1.026 148 S HN 1.409 nan 8.310 nan 0.000 0.541 149 F N 0.663 120.745 119.950 0.220 0.000 2.708 149 F HA 0.659 5.186 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 -0.958 57.075 58.000 0.055 0.000 0.978 149 F CB 0.291 39.379 39.000 0.146 0.000 1.283 149 F HN 0.318 nan 8.300 nan 0.000 0.439 150 V N -0.402 119.386 119.914 -0.211 0.000 4.197 150 V HA 0.507 4.627 4.120 -0.000 0.000 0.176 150 V C -1.009 175.107 176.094 0.036 0.000 1.208 150 V CA 0.657 62.815 62.300 -0.237 0.000 1.306 150 V CB 0.660 32.134 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 -0.059 0.000 2.798 151 D HA 0.193 4.833 4.640 -0.000 0.000 0.265 151 D C -1.175 175.084 176.300 -0.069 0.000 1.223 151 D CA -0.604 53.408 54.000 0.020 0.000 0.743 151 D CB 1.678 42.553 40.800 0.126 0.000 1.276 151 D HN 0.153 nan 8.370 nan 0.000 0.421 152 K N 0.181 120.489 120.400 -0.153 0.000 2.559 152 K HA 0.017 4.337 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 0.712 56.890 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 1.703 116.325 114.554 0.114 0.000 2.737 153 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 153 T C 0.851 175.615 174.700 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 3.469 123.442 119.914 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 4.560 125.877 121.223 0.156 0.000 2.473 155 L HA 0.425 4.765 4.340 -0.000 0.000 0.265 155 L C -1.943 175.071 176.870 0.240 0.000 1.243 155 L CA -0.787 54.155 54.840 0.170 0.000 0.822 155 L CB -1.238 40.876 42.059 0.092 0.000 1.101 155 L HN 0.394 nan 8.230 nan 0.000 0.507 156 P HA 0.143 nan 4.420 nan 0.000 0.255 156 P C 0.308 177.521 177.300 -0.144 0.000 1.427 156 P CA 0.493 63.569 63.100 -0.040 0.000 0.863 156 P CB -0.223 31.389 31.700 -0.147 0.000 1.444 157 F N -0.725 119.206 119.950 -0.032 0.000 2.743 157 F HA 0.191 4.717 4.527 -0.000 0.000 0.297 157 F C 1.143 176.931 175.800 -0.020 0.000 1.131 157 F CA 0.292 58.257 58.000 -0.059 0.000 1.426 157 F CB 0.467 39.424 39.000 -0.072 0.000 1.116 157 F HN -0.189 nan 8.300 nan 0.000 0.583 158 V N 0.549 120.554 119.914 0.150 0.000 2.901 158 V HA 0.160 4.279 4.120 -0.000 0.000 0.257 158 V C -1.560 174.578 176.094 0.074 0.000 1.709 158 V CA -1.550 60.806 62.300 0.093 0.000 0.926 158 V CB 0.743 32.626 31.823 0.099 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 0.104 4.844 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 0.817 53.895 53.050 0.046 0.000 0.845 159 N CB 0.993 39.505 38.487 0.042 0.000 1.073 159 N HN 0.921 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 0.005 174.544 174.700 -0.269 0.000 1.034 160 T CA 0.399 62.460 62.100 -0.065 0.000 1.060 160 T CB -0.305 68.549 68.868 -0.023 0.000 0.983 160 T HN 0.651 nan 8.240 nan 0.000 0.482 161 H N 0.742 119.838 119.070 0.043 0.000 2.949 161 H HA 0.655 5.211 4.556 -0.000 0.000 0.310 161 H C -2.497 172.850 175.328 0.032 0.000 1.405 161 H CA -1.685 54.385 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 0.022 nan 8.280 nan 0.000 0.602 162 P HA 0.147 nan 4.420 nan 0.000 0.336 162 P C -0.228 177.138 177.300 0.110 0.000 1.288 162 P CA -0.398 62.816 63.100 0.190 0.000 0.766 162 P CB 0.920 32.693 31.700 0.121 0.000 1.461 163 D N -0.827 119.629 120.400 0.093 0.000 2.420 163 D HA -0.117 4.523 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 54.744 54.000 0.071 0.000 0.951 163 D CB -0.480 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 0.427 120.857 120.400 0.050 0.000 2.286 164 K HA -0.177 4.143 4.320 -0.000 0.000 0.203 164 K C 1.791 178.419 176.600 0.046 0.000 1.045 164 K CA 0.599 56.911 56.287 0.042 0.000 0.935 164 K CB -0.066 32.456 32.500 0.037 0.000 0.737 164 K HN 0.105 nan 8.250 nan 0.000 0.460 165 L N 0.943 122.194 121.223 0.047 0.000 2.156 165 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 165 L C 1.801 178.698 176.870 0.045 0.000 1.095 165 L CA 1.449 56.310 54.840 0.036 0.000 0.770 165 L CB -0.143 41.916 42.059 -0.002 0.000 0.914 165 L HN 0.065 nan 8.230 nan 0.000 0.439 166 R N -0.596 119.932 120.500 0.047 0.000 2.193 166 R HA 0.050 4.390 4.340 -0.000 0.000 0.213 166 R C 0.210 176.539 176.300 0.048 0.000 1.055 166 R CA 0.675 56.802 56.100 0.046 0.000 0.995 166 R CB -0.143 30.182 30.300 0.042 0.000 0.893 166 R HN 0.274 nan 8.270 nan 0.000 0.459 167 N N -0.194 118.535 118.700 0.049 0.000 2.716 167 N HA 0.151 4.891 4.740 -0.000 0.000 0.245 167 N C -2.476 173.064 175.510 0.049 0.000 1.495 167 N CA -1.782 51.298 53.050 0.049 0.000 0.759 167 N CB 1.339 39.849 38.487 0.040 0.000 1.261 167 N HN -0.217 nan 8.380 nan 0.000 0.515 168 P HA 0.085 nan 4.420 nan 0.000 0.223 168 P C 0.137 177.463 177.300 0.043 0.000 1.151 168 P CA 0.354 63.487 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 2.384 121.025 118.600 0.068 0.000 2.519 169 c HA 0.039 4.609 4.570 -0.000 0.000 0.402 169 c C -1.890 172.180 174.090 -0.032 0.000 1.475 169 c CA -0.523 55.853 56.329 0.079 0.000 1.504 169 c CB -0.993 41.600 42.510 0.139 0.000 2.454 169 c HN 0.225 nan 8.230 nan 0.000 0.615 170 P HA 0.169 nan 4.420 nan 0.000 0.273 170 P C 0.485 177.650 177.300 -0.225 0.000 1.319 170 P CA 0.894 63.825 63.100 -0.282 0.000 0.885 170 P CB 0.348 31.748 31.700 -0.500 0.000 1.015 171 N N 3.270 121.915 118.700 -0.091 0.000 2.825 171 N HA -0.221 4.519 4.740 -0.000 0.000 0.206 171 N C 0.749 176.265 175.510 0.010 0.000 1.057 171 N CA 2.245 55.271 53.050 -0.041 0.000 1.343 171 N CB -1.221 37.233 38.487 -0.055 0.000 0.942 171 N HN 0.286 nan 8.380 nan 0.000 0.562 172 K N 0.450 120.879 120.400 0.049 0.000 2.168 172 K HA 0.164 4.484 4.320 -0.000 0.000 0.201 172 K C -0.267 176.382 176.600 0.083 0.000 1.049 172 K CA 0.629 56.974 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 1.414 121.669 120.200 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 0.529 56.973 56.400 0.074 0.000 0.699 173 E CB -1.211 28.516 29.700 0.045 0.000 1.126 173 E HN 0.417 nan 8.360 nan 0.000 0.355 174 K N 0.722 121.170 120.400 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 0.051 0.000 1.233 174 K CB 0.439 32.965 32.500 0.044 0.000 1.226 174 K HN 0.133 nan 8.250 nan 0.000 0.442 175 E N 0.134 120.358 120.200 0.039 0.000 2.340 175 E HA -0.209 4.141 4.350 -0.000 0.000 0.240 175 E C -0.325 176.294 176.600 0.031 0.000 1.154 175 E CA 0.570 56.987 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 0.751 nan 8.360 nan 0.000 0.386 176 c N 0.092 118.726 118.600 0.056 0.000 2.700 176 c HA 0.496 5.066 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 56.312 56.329 0.067 0.000 2.219 176 c CB 0.496 43.075 42.510 0.115 0.000 2.699 176 c HN 0.573 nan 8.230 nan 0.000 0.669 177 Q N 1.920 121.756 119.800 0.059 0.000 2.417 177 Q HA 0.484 4.824 4.340 -0.000 0.000 0.241 177 Q C -2.539 173.526 176.000 0.108 0.000 1.008 177 Q CA -1.150 54.675 55.803 0.038 0.000 0.901 177 Q CB -0.327 28.382 28.738 -0.048 0.000 1.259 177 Q HN 0.556 nan 8.270 nan 0.000 0.489 178 P HA 0.100 nan 4.420 nan 0.000 0.266 178 P C -2.438 175.026 177.300 0.272 0.000 1.195 178 P CA -0.911 62.269 63.100 0.134 0.000 0.768 178 P CB -0.336 31.415 31.700 0.084 0.000 0.838 179 P HA -0.003 nan 4.420 nan 0.000 0.261 179 P C -0.663 176.874 177.300 0.397 0.000 1.183 179 P CA 0.829 64.093 63.100 0.273 0.000 0.761 179 P CB -0.135 31.657 31.700 0.153 0.000 0.785 180 F N 1.190 121.256 119.950 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 0.262 0.000 1.278 180 F CA -0.783 57.422 58.000 0.341 0.000 1.035 180 F CB 0.374 39.563 39.000 0.316 0.000 1.531 180 F HN 0.190 nan 8.300 nan 0.000 0.515 181 A N -0.767 122.116 122.820 0.106 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 0.021 0.000 1.926 181 A CA 0.265 52.088 52.037 -0.357 0.000 1.493 181 A CB 0.222 18.663 19.000 -0.932 0.000 1.554 181 A HN 0.889 nan 8.150 nan 0.000 0.340 182 F N 0.654 120.674 119.950 0.118 0.000 2.839 182 F HA 0.611 5.138 4.527 -0.000 0.000 0.344 182 F C -0.907 175.197 175.800 0.506 0.000 1.242 182 F CA -0.423 57.773 58.000 0.327 0.000 1.091 182 F CB 1.174 40.243 39.000 0.114 0.000 1.374 182 F HN 0.076 nan 8.300 nan 0.000 0.553 183 R N 4.135 124.586 120.500 -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 -0.352 0.000 0.980 183 R CA -0.875 55.115 56.100 -0.184 0.000 0.867 183 R CB 0.509 30.711 30.300 -0.165 0.000 1.163 183 R HN 0.779 nan 8.270 nan 0.000 0.492 184 H N 4.153 122.939 119.070 -0.474 0.000 3.291 184 H HA 0.058 4.613 4.556 -0.000 0.000 0.256 184 H C 0.669 175.961 175.328 -0.059 0.000 1.315 184 H CA 0.067 55.981 56.048 -0.224 0.000 1.521 184 H CB 0.344 30.074 29.762 -0.053 0.000 1.621 184 H HN 0.416 nan 8.280 nan 0.000 0.498 185 V N 4.600 124.376 119.914 -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 -0.197 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 0.178 121.174 121.223 -0.378 0.000 2.385 186 L HA 0.450 4.790 4.340 -0.000 0.000 0.273 186 L C -0.272 176.455 176.870 -0.238 0.000 0.990 186 L CA -0.277 54.406 54.840 -0.262 0.000 0.821 186 L CB 2.235 44.120 42.059 -0.291 0.000 1.279 186 L HN 0.025 nan 8.230 nan 0.000 0.412 187 K N 2.552 122.963 120.400 0.019 0.000 2.090 187 K HA 0.513 4.833 4.320 -0.000 0.000 0.250 187 K C -0.542 176.136 176.600 0.130 0.000 1.004 187 K CA -0.705 55.715 56.287 0.223 0.000 0.919 187 K CB 0.890 33.537 32.500 0.245 0.000 1.045 187 K HN 0.499 nan 8.250 nan 0.000 0.471 188 L N 3.559 124.808 121.223 0.044 0.000 2.597 188 L HA 0.058 4.398 4.340 -0.000 0.000 0.271 188 L C 0.218 177.075 176.870 -0.022 0.000 1.157 188 L CA 0.092 54.898 54.840 -0.056 0.000 0.928 188 L CB -0.464 41.480 42.059 -0.191 0.000 1.216 188 L HN 0.772 nan 8.230 nan 0.000 0.481 189 T N -1.637 112.901 114.554 -0.026 0.000 2.906 189 T HA 0.359 4.709 4.350 -0.000 0.000 0.295 189 T C 0.645 175.318 174.700 -0.045 0.000 1.075 189 T CA -0.984 61.111 62.100 -0.009 0.000 1.005 189 T CB 1.895 70.789 68.868 0.043 0.000 1.136 189 T HN 0.296 nan 8.240 nan 0.000 0.498 190 N N 1.474 120.160 118.700 -0.024 0.000 2.135 190 N HA -0.025 4.715 4.740 -0.000 0.000 0.186 190 N C 0.666 176.154 175.510 -0.036 0.000 1.027 190 N CA 0.913 53.944 53.050 -0.030 0.000 0.849 190 N CB -0.827 37.652 38.487 -0.013 0.000 1.002 190 N HN 0.852 nan 8.380 nan 0.000 0.425 191 N N 0.601 119.292 118.700 -0.014 0.000 2.305 191 N HA -0.059 4.681 4.740 -0.000 0.000 0.232 191 N C 0.770 176.272 175.510 -0.013 0.000 1.274 191 N CA 0.591 53.638 53.050 -0.006 0.000 0.870 191 N CB 0.370 38.866 38.487 0.014 0.000 1.105 191 N HN 0.164 nan 8.380 nan 0.000 0.436 192 S N -0.961 114.736 115.700 -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 -0.005 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 2.158 120.871 118.700 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 1.556 54.611 53.050 0.008 0.000 0.870 193 N CB -0.722 37.760 38.487 -0.009 0.000 0.979 193 N HN 0.488 nan 8.380 nan 0.000 0.431 194 Q N 0.077 119.889 119.800 0.020 0.000 2.167 194 Q HA -0.003 4.337 4.340 -0.000 0.000 0.202 194 Q C 1.675 177.676 176.000 0.001 0.000 0.970 194 Q CA 0.929 56.733 55.803 0.002 0.000 0.855 194 Q CB -0.581 28.165 28.738 0.012 0.000 0.911 194 Q HN 0.415 nan 8.270 nan 0.000 0.438 195 F N 0.492 120.379 119.950 -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 1.703 59.621 58.000 -0.138 0.000 1.248 195 F CB -0.081 38.847 39.000 -0.120 0.000 0.999 195 F HN 0.147 nan 8.300 nan 0.000 0.475 196 Q N -0.582 119.209 119.800 -0.014 0.000 2.050 196 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 196 Q C 2.192 178.055 176.000 -0.227 0.000 0.980 196 Q CA 2.467 58.188 55.803 -0.135 0.000 0.840 196 Q CB -0.701 28.002 28.738 -0.059 0.000 0.898 196 Q HN 0.544 nan 8.270 nan 0.000 0.424 197 T N -1.110 113.344 114.554 -0.167 0.000 2.962 197 T HA -0.066 4.284 4.350 -0.000 0.000 0.270 197 T C 1.539 176.113 174.700 -0.210 0.000 1.088 197 T CA 0.760 62.763 62.100 -0.161 0.000 1.127 197 T CB 0.047 68.851 68.868 -0.108 0.000 0.883 197 T HN 0.074 nan 8.240 nan 0.000 0.493 198 E N 0.505 120.542 120.200 -0.273 0.000 2.481 198 E HA 0.115 4.464 4.350 -0.000 0.000 0.195 198 E C 2.019 178.371 176.600 -0.414 0.000 1.047 198 E CA 0.170 56.387 56.400 -0.306 0.000 0.867 198 E CB 0.224 29.737 29.700 -0.310 0.000 0.858 198 E HN 0.453 nan 8.360 nan 0.000 0.513 199 V N -0.174 119.432 119.914 -0.513 0.000 2.403 199 V HA -0.022 4.098 4.120 -0.000 0.000 0.239 199 V C 2.345 178.189 176.094 -0.416 0.000 1.041 199 V CA 1.575 63.490 62.300 -0.643 0.000 1.051 199 V CB -0.758 30.552 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 1.252 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 1.089 120.791 119.800 -0.163 0.000 2.337 202 Q HA 0.163 4.503 4.340 -0.000 0.000 0.270 202 Q C -0.238 175.702 176.000 -0.099 0.000 1.002 202 Q CA -0.160 55.562 55.803 -0.135 0.000 0.888 202 Q CB 0.936 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 2.226 123.410 121.223 -0.064 0.000 2.397 203 L HA 0.505 4.845 4.340 -0.000 0.000 0.266 203 L C 0.637 177.522 176.870 0.025 0.000 1.040 203 L CA -1.040 53.782 54.840 -0.030 0.000 0.800 203 L CB 0.666 42.712 42.059 -0.022 0.000 1.324 203 L HN 0.624 nan 8.230 nan 0.000 0.469 204 I N -2.573 118.022 120.570 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 0.184 0.000 1.263 204 I CA 0.063 61.427 61.300 0.107 0.000 0.921 204 I CB 0.697 38.726 38.000 0.049 0.000 1.614 204 I HN 0.560 nan 8.210 nan 0.000 0.879 205 S N -1.004 114.830 115.700 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 0.886 64.294 63.200 0.347 0.000 1.359 205 S HN 1.357 nan 8.310 nan 0.000 0.725 206 G N 1.300 110.179 108.800 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 -2.039 172.905 174.900 0.073 0.000 1.547 206 G CA -0.246 44.917 45.100 0.105 0.000 0.833 206 G HN 1.042 nan 8.290 nan 0.000 0.583 207 N N -0.877 117.863 118.700 0.066 0.000 2.972 207 N HA 0.595 5.335 4.740 -0.000 0.000 0.262 207 N C 0.380 175.922 175.510 0.055 0.000 1.478 207 N CA -0.988 52.101 53.050 0.066 0.000 0.841 207 N CB 0.884 39.418 38.487 0.079 0.000 1.512 207 N HN 0.363 nan 8.380 nan 0.000 0.548 208 L N -0.734 120.518 121.223 0.050 0.000 2.121 208 L HA 0.135 4.475 4.340 -0.000 0.000 0.200 208 L C 0.108 176.985 176.870 0.013 0.000 1.132 208 L CA 0.498 55.351 54.840 0.022 0.000 0.782 208 L CB -0.677 41.386 42.059 0.006 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 -0.017 0.000 2.515 209 D HA -0.066 4.574 4.640 -0.000 0.000 0.232 209 D C 0.729 177.059 176.300 0.051 0.000 1.157 209 D CA 0.674 54.655 54.000 -0.031 0.000 0.871 209 D CB 1.162 41.873 40.800 -0.149 0.000 1.200 209 D HN 0.278 nan 8.370 nan 0.000 0.466 210 A N 3.011 125.861 122.820 0.051 0.000 1.832 210 A HA 0.070 4.390 4.320 -0.000 0.000 0.214 210 A C -1.306 176.360 177.584 0.136 0.000 1.200 210 A CA 0.680 52.762 52.037 0.074 0.000 0.610 210 A CB -1.651 17.371 19.000 0.038 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 -0.102 177.439 177.300 0.402 0.000 1.227 211 P CA 0.078 63.306 63.100 0.212 0.000 0.788 211 P CB 0.354 32.029 31.700 -0.041 0.000 0.926 212 E N -0.132 120.341 120.200 0.454 0.000 2.267 212 E HA 0.424 4.774 4.350 -0.000 0.000 0.258 212 E C 0.666 177.611 176.600 0.576 0.000 1.074 212 E CA -0.609 56.075 56.400 0.473 0.000 0.915 212 E CB 0.653 30.654 29.700 0.501 0.000 1.186 212 E HN 0.508 nan 8.360 nan 0.000 0.439 213 G N -0.314 108.753 108.800 0.444 0.000 4.637 213 G HA2 0.293 4.253 3.960 -0.000 0.000 0.308 213 G HA3 0.293 4.253 3.960 -0.000 0.000 0.308 213 G C 0.794 175.901 174.900 0.344 0.000 1.377 213 G CA 0.015 45.406 45.100 0.485 0.000 1.176 213 G HN 0.456 nan 8.290 nan 0.000 0.601 214 G N 0.447 109.470 108.800 0.370 0.000 2.484 214 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.218 214 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.218 214 G C 1.588 176.478 174.900 -0.017 0.000 1.130 214 G CA 0.225 45.337 45.100 0.020 0.000 0.784 214 G HN 0.471 nan 8.290 nan 0.000 0.543 215 L N 0.370 121.693 121.223 0.166 0.000 2.083 215 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 215 L C 2.517 179.400 176.870 0.022 0.000 1.083 215 L CA 1.214 56.121 54.840 0.111 0.000 0.752 215 L CB -0.284 41.941 42.059 0.277 0.000 0.899 215 L HN 0.150 nan 8.230 nan 0.000 0.433 216 D N 0.340 120.733 120.400 -0.011 0.000 2.144 216 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 216 D C 2.120 178.283 176.300 -0.228 0.000 0.984 216 D CA 1.377 55.302 54.000 -0.125 0.000 0.834 216 D CB 0.286 40.901 40.800 -0.307 0.000 0.955 216 D HN 0.264 nan 8.370 nan 0.000 0.465 217 A N 0.584 123.253 122.820 -0.252 0.000 1.933 217 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 217 A C 2.223 179.541 177.584 -0.443 0.000 1.175 217 A CA 1.530 53.331 52.037 -0.394 0.000 0.628 217 A CB -0.437 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 -0.832 118.614 119.600 -0.256 0.000 2.163 218 M HA -0.203 4.277 4.480 -0.000 0.000 0.258 218 M C 2.317 178.465 176.300 -0.253 0.000 1.071 218 M CA 1.659 56.836 55.300 -0.205 0.000 1.093 218 M CB -1.391 31.124 32.600 -0.142 0.000 1.285 218 M HN 0.342 nan 8.290 nan 0.000 0.420 219 M N 0.118 119.589 119.600 -0.216 0.000 2.065 219 M HA -0.217 4.263 4.480 -0.000 0.000 0.259 219 M C 2.178 178.298 176.300 -0.300 0.000 1.071 219 M CA 1.803 56.980 55.300 -0.205 0.000 1.109 219 M CB -1.546 30.989 32.600 -0.107 0.000 1.313 219 M HN 0.394 nan 8.290 nan 0.000 0.408 220 Q N -0.480 119.073 119.800 -0.412 0.000 2.217 220 Q HA -0.170 4.170 4.340 -0.000 0.000 0.209 220 Q C 2.152 177.860 176.000 -0.488 0.000 0.988 220 Q CA 1.464 56.963 55.803 -0.506 0.000 0.878 220 Q CB -0.384 27.934 28.738 -0.700 0.000 0.909 220 Q HN 0.352 nan 8.270 nan 0.000 0.424 221 V N 0.727 120.319 119.914 -0.536 0.000 2.221 221 V HA -0.179 3.941 4.120 -0.000 0.000 0.242 221 V C 1.323 177.313 176.094 -0.173 0.000 1.041 221 V CA 1.662 63.808 62.300 -0.257 0.000 0.995 221 V CB -0.582 31.101 31.823 -0.233 0.000 0.635 221 V HN 0.347 nan 8.190 nan 0.000 0.448 222 A N -0.985 121.669 122.820 -0.276 0.000 3.135 222 A HA 0.664 4.984 4.320 -0.000 0.000 0.253 222 A C 1.018 178.437 177.584 -0.276 0.000 1.638 222 A CA 0.696 52.518 52.037 -0.359 0.000 1.295 222 A CB -0.353 18.381 19.000 -0.443 0.000 1.106 222 A HN 0.541 nan 8.150 nan 0.000 0.648 223 A N -0.611 122.077 122.820 -0.220 0.000 1.917 223 A HA 0.340 4.660 4.320 -0.000 0.000 0.200 223 A C 0.928 178.412 177.584 -0.167 0.000 1.671 223 A CA 1.044 52.960 52.037 -0.201 0.000 1.034 223 A CB -0.036 18.823 19.000 -0.235 0.000 1.057 223 A HN 1.439 nan 8.150 nan 0.000 0.507 224 c N -2.581 115.939 118.600 -0.133 0.000 3.452 224 c HA 0.584 5.154 4.570 -0.000 0.000 0.251 224 c C -2.627 171.452 174.090 -0.018 0.000 1.160 224 c CA -1.583 54.693 56.329 -0.088 0.000 1.328 224 c CB 0.101 42.537 42.510 -0.124 0.000 1.819 224 c HN 0.199 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 1.158 64.344 63.100 0.143 0.000 0.760 225 P CB -0.001 31.859 31.700 0.267 0.000 0.961 226 E N -0.087 120.131 120.200 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 0.782 57.196 56.400 0.022 0.000 0.871 226 E CB -0.004 29.701 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 1.419 177.998 176.600 -0.036 0.000 0.878 227 E CA -0.025 56.374 56.400 -0.002 0.000 1.348 227 E CB 0.722 30.419 29.700 -0.005 0.000 1.318 227 E HN 0.103 nan 8.360 nan 0.000 0.673 228 I N 0.360 120.906 120.570 -0.040 0.000 3.616 228 I HA 0.218 4.388 4.170 -0.000 0.000 0.296 228 I C 0.830 176.930 176.117 -0.028 0.000 1.226 228 I CA 0.407 61.625 61.300 -0.136 0.000 1.394 228 I CB 0.794 38.716 38.000 -0.130 0.000 1.171 228 I HN 0.102 nan 8.210 nan 0.000 0.442 229 G N 1.114 109.956 108.800 0.070 0.000 2.850 229 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.686 229 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.686 229 G C -1.358 173.545 174.900 0.005 0.000 1.164 229 G CA -0.702 44.440 45.100 0.069 0.000 0.826 229 G HN 0.222 nan 8.290 nan 0.000 0.586 230 W N 1.119 122.436 121.300 0.029 0.000 3.296 230 W HA 0.648 5.308 4.660 -0.000 0.000 0.314 230 W C 0.143 176.677 176.519 0.025 0.000 1.238 230 W CA -1.114 56.249 57.345 0.030 0.000 1.193 230 W CB 1.625 31.084 29.460 -0.003 0.000 1.383 230 W HN 0.820 nan 8.180 nan 0.000 0.545 231 R N 1.659 122.330 120.500 0.286 0.000 2.694 231 R HA 0.101 4.441 4.340 -0.000 0.000 0.268 231 R C 0.803 177.210 176.300 0.178 0.000 1.061 231 R CA 0.384 56.594 56.100 0.184 0.000 1.133 231 R CB 0.371 30.762 30.300 0.151 0.000 1.020 231 R HN 0.420 nan 8.270 nan 0.000 0.475 232 N N 1.727 120.493 118.700 0.110 0.000 2.370 232 N HA 0.042 4.782 4.740 -0.000 0.000 0.198 232 N C -0.129 175.408 175.510 0.045 0.000 1.156 232 N CA 0.180 53.272 53.050 0.070 0.000 0.839 232 N CB 0.384 38.900 38.487 0.049 0.000 0.989 232 N HN 0.370 nan 8.380 nan 0.000 0.468 233 V N -1.793 118.161 119.914 0.067 0.000 3.945 233 V HA 0.288 4.408 4.120 -0.000 0.000 0.196 233 V C 0.614 176.734 176.094 0.042 0.000 1.110 233 V CA 0.282 62.604 62.300 0.038 0.000 1.411 233 V CB -0.025 31.847 31.823 0.081 0.000 1.707 233 V HN 0.062 nan 8.190 nan 0.000 0.477 234 T N 1.663 116.279 114.554 0.104 0.000 2.925 234 T HA 0.661 5.011 4.350 -0.000 0.000 0.285 234 T C -0.563 174.234 174.700 0.161 0.000 1.021 234 T CA -0.388 61.773 62.100 0.102 0.000 1.042 234 T CB 1.152 70.112 68.868 0.152 0.000 1.037 234 T HN 0.314 nan 8.240 nan 0.000 0.481 235 R N 1.873 122.441 120.500 0.113 0.000 2.810 235 R HA 0.343 4.683 4.340 -0.000 0.000 0.280 235 R C -1.779 174.581 176.300 0.100 0.000 1.517 235 R CA -0.712 55.519 56.100 0.219 0.000 1.063 235 R CB 0.661 30.943 30.300 -0.030 0.000 1.275 235 R HN 0.257 nan 8.270 nan 0.000 0.464 236 L N 3.271 124.592 121.223 0.164 0.000 2.307 236 L HA 0.511 4.851 4.340 -0.000 0.000 0.284 236 L C -0.464 176.500 176.870 0.158 0.000 1.023 236 L CA -0.552 54.330 54.840 0.070 0.000 0.810 236 L CB 1.318 43.379 42.059 0.004 0.000 1.231 236 L HN 0.343 nan 8.230 nan 0.000 0.423 237 L N 2.878 124.147 121.223 0.077 0.000 2.298 237 L HA 0.786 5.126 4.340 -0.000 0.000 0.268 237 L C -0.696 176.185 176.870 0.019 0.000 1.010 237 L CA -0.706 54.210 54.840 0.128 0.000 0.812 237 L CB 2.143 44.262 42.059 0.099 0.000 1.331 237 L HN 0.290 nan 8.230 nan 0.000 0.450 238 V N 1.086 121.016 119.914 0.028 0.000 2.610 238 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 238 V C -1.347 174.705 176.094 -0.069 0.000 1.067 238 V CA -0.471 61.788 62.300 -0.068 0.000 0.894 238 V CB 1.253 33.020 31.823 -0.093 0.000 1.015 238 V HN 0.489 nan 8.190 nan 0.000 0.432 239 F N 5.803 125.625 119.950 -0.213 0.000 2.399 239 F HA 0.789 5.316 4.527 -0.000 0.000 0.342 239 F C 0.503 176.239 175.800 -0.106 0.000 1.106 239 F CA 0.540 58.464 58.000 -0.128 0.000 1.196 239 F CB 1.537 40.435 39.000 -0.170 0.000 1.163 239 F HN 0.786 nan 8.300 nan 0.000 0.547 240 A N 3.744 126.316 122.820 -0.414 0.000 2.442 240 A HA 0.613 4.933 4.320 -0.000 0.000 0.284 240 A C -0.841 176.609 177.584 -0.223 0.000 1.058 240 A CA -0.344 51.551 52.037 -0.236 0.000 0.738 240 A CB 1.344 20.179 19.000 -0.275 0.000 1.242 240 A HN 0.736 nan 8.150 nan 0.000 0.421 241 T N 1.223 115.768 114.554 -0.017 0.000 3.289 241 T HA 0.405 4.755 4.350 -0.000 0.000 0.370 241 T C -1.756 173.058 174.700 0.190 0.000 1.546 241 T CA -0.040 62.108 62.100 0.081 0.000 1.144 241 T CB 0.938 69.928 68.868 0.205 0.000 1.379 241 T HN 0.792 nan 8.240 nan 0.000 0.478 242 D N 2.889 123.379 120.400 0.150 0.000 3.072 242 D HA 0.386 5.026 4.640 -0.000 0.000 0.250 242 D C -0.145 176.263 176.300 0.181 0.000 1.304 242 D CA -0.185 53.911 54.000 0.160 0.000 0.861 242 D CB 0.130 40.997 40.800 0.112 0.000 1.062 242 D HN 0.418 nan 8.370 nan 0.000 0.481 243 D N -1.310 119.242 120.400 0.253 0.000 2.665 243 D HA 0.400 5.040 4.640 -0.000 0.000 0.287 243 D C 0.662 177.175 176.300 0.354 0.000 1.266 243 D CA -0.816 53.338 54.000 0.256 0.000 0.830 243 D CB 1.304 42.248 40.800 0.240 0.000 1.356 243 D HN 0.144 nan 8.370 nan 0.000 0.437 244 G N -0.514 108.462 108.800 0.293 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 -0.658 174.593 174.900 0.584 0.000 1.492 244 G CA 0.044 45.349 45.100 0.342 0.000 1.060 244 G HN 0.425 nan 8.290 nan 0.000 0.553 245 F N -3.014 116.992 119.950 0.093 0.000 2.639 245 F HA 0.544 5.071 4.527 -0.000 0.000 0.326 245 F C -1.297 174.487 175.800 -0.026 0.000 1.150 245 F CA -1.657 56.452 58.000 0.183 0.000 1.057 245 F CB 0.291 39.424 39.000 0.221 0.000 1.300 245 F HN 0.419 nan 8.300 nan 0.000 0.486 246 H N 3.426 122.465 119.070 -0.052 0.000 2.473 246 H HA 0.715 5.271 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 -0.272 55.491 56.048 -0.475 0.000 1.280 246 H CB 1.250 30.695 29.762 -0.528 0.000 1.450 246 H HN 0.592 nan 8.280 nan 0.000 0.492 247 F N -0.197 119.674 119.950 -0.132 0.000 2.712 247 F HA 0.790 5.317 4.527 -0.000 0.000 0.367 247 F C 0.338 176.125 175.800 -0.022 0.000 1.132 247 F CA -1.893 56.109 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 0.092 123.112 122.820 0.333 0.000 2.583 248 A HA 0.386 4.706 4.320 -0.000 0.000 0.231 248 A C 1.437 179.108 177.584 0.146 0.000 1.065 248 A CA 1.106 53.258 52.037 0.193 0.000 0.760 248 A CB -1.237 17.839 19.000 0.126 0.000 1.001 248 A HN 2.244 nan 8.150 nan 0.000 0.509 249 G N 0.747 109.592 108.800 0.075 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 0.537 175.444 174.900 0.012 0.000 1.021 249 G CA 0.876 46.004 45.100 0.045 0.000 0.619 249 G HN 0.700 nan 8.290 nan 0.000 0.510 250 D N 0.968 121.347 120.400 -0.036 0.000 2.277 250 D HA 0.182 4.822 4.640 -0.000 0.000 0.208 250 D C 2.361 178.744 176.300 0.140 0.000 0.962 250 D CA 1.348 55.334 54.000 -0.023 0.000 0.865 250 D CB -0.744 39.982 40.800 -0.124 0.000 0.939 250 D HN 0.557 nan 8.370 nan 0.000 0.510 251 G N 0.773 109.663 108.800 0.150 0.000 2.471 251 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 251 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 251 G C 1.487 176.468 174.900 0.135 0.000 1.125 251 G CA 0.410 45.630 45.100 0.200 0.000 0.775 251 G HN 0.257 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 0.030 4.350 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 -0.197 32.322 32.500 0.031 0.000 0.737 252 K HN 0.362 nan 8.250 nan 0.000 0.458 253 L N -0.700 120.576 121.223 0.088 0.000 2.093 253 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 253 L C 2.102 179.037 176.870 0.108 0.000 1.085 253 L CA 1.217 56.099 54.840 0.071 0.000 0.755 253 L CB -0.297 41.781 42.059 0.031 0.000 0.904 253 L HN 0.258 nan 8.230 nan 0.000 0.435 254 G N -1.210 107.698 108.800 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 0.929 175.892 174.900 0.106 0.000 1.222 254 G CA 0.308 45.509 45.100 0.167 0.000 0.871 254 G HN 0.409 nan 8.290 nan 0.000 0.525 255 A N -0.298 122.570 122.820 0.080 0.000 2.869 255 A HA -0.189 4.131 4.320 -0.000 0.000 0.280 255 A C 0.466 178.082 177.584 0.053 0.000 1.458 255 A CA 1.145 53.216 52.037 0.057 0.000 0.776 255 A CB -2.502 16.530 19.000 0.053 0.000 1.028 255 A HN 1.398 nan 8.150 nan 0.000 0.547 256 I N -4.037 116.566 120.570 0.055 0.000 2.439 256 I HA 0.692 4.862 4.170 -0.000 0.000 0.283 256 I C 0.028 176.157 176.117 0.020 0.000 1.023 256 I CA -1.085 60.237 61.300 0.038 0.000 1.100 256 I CB 1.543 39.567 38.000 0.039 0.000 1.238 256 I HN -0.082 nan 8.210 nan 0.000 0.445 257 L N 5.145 126.374 121.223 0.010 0.000 3.110 257 L HA 0.244 4.584 4.340 -0.000 0.000 0.266 257 L C 0.672 177.532 176.870 -0.016 0.000 1.257 257 L CA 0.183 55.022 54.840 -0.002 0.000 1.038 257 L CB 0.469 42.531 42.059 0.005 0.000 1.395 257 L HN 0.755 nan 8.230 nan 0.000 0.566 258 T N -1.412 113.126 114.554 -0.027 0.000 2.762 258 T HA 0.490 4.840 4.350 -0.000 0.000 0.303 258 T C -2.354 172.281 174.700 -0.108 0.000 0.977 258 T CA -1.862 60.218 62.100 -0.033 0.000 0.961 258 T CB 0.748 69.622 68.868 0.010 0.000 0.944 258 T HN -0.123 nan 8.240 nan 0.000 0.481 259 P HA 0.052 nan 4.420 nan 0.000 0.273 259 P C -0.082 177.081 177.300 -0.229 0.000 1.258 259 P CA -0.548 62.463 63.100 -0.149 0.000 0.802 259 P CB 0.556 32.217 31.700 -0.066 0.000 1.040 260 N N 1.056 119.614 118.700 -0.236 0.000 2.458 260 N HA -0.027 4.713 4.740 -0.000 0.000 0.270 260 N C 0.795 176.400 175.510 0.157 0.000 1.102 260 N CA -0.026 52.971 53.050 -0.088 0.000 0.967 260 N CB 0.319 38.787 38.487 -0.032 0.000 1.078 260 N HN 0.336 nan 8.380 nan 0.000 0.471 261 D N 3.146 123.748 120.400 0.338 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 0.143 0.000 0.972 261 D CA 1.438 55.559 54.000 0.201 0.000 0.837 261 D CB -0.165 40.765 40.800 0.216 0.000 0.989 261 D HN 0.731 nan 8.370 nan 0.000 0.469 262 G N 0.056 108.943 108.800 0.146 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 0.267 175.139 174.900 -0.048 0.000 0.999 262 G CA -0.221 44.907 45.100 0.047 0.000 0.669 262 G HN 0.402 nan 8.290 nan 0.000 0.482 263 R N 0.527 120.988 120.500 -0.066 0.000 2.514 263 R HA 0.593 4.933 4.340 -0.000 0.000 0.301 263 R C 0.677 176.675 176.300 -0.502 0.000 0.962 263 R CA -0.049 55.905 56.100 -0.243 0.000 0.882 263 R CB 1.612 31.796 30.300 -0.193 0.000 1.143 263 R HN 0.573 nan 8.270 nan 0.000 0.452 264 c N 1.579 119.861 118.600 -0.531 0.000 2.466 264 c HA 0.480 5.050 4.570 -0.000 0.000 0.379 264 c C -0.062 173.620 174.090 -0.679 0.000 1.251 264 c CA -0.685 55.350 56.329 -0.490 0.000 2.263 264 c CB 0.305 42.642 42.510 -0.289 0.000 2.511 264 c HN 0.778 nan 8.230 nan 0.000 0.573 265 H N 4.179 123.198 119.070 -0.085 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 0.677 30.407 29.762 -0.053 0.000 1.563 265 H HN 0.781 nan 8.280 nan 0.000 0.509 266 L N -1.268 120.003 121.223 0.079 0.000 2.352 266 L HA 0.547 4.887 4.340 -0.000 0.000 0.269 266 L C 1.062 177.970 176.870 0.063 0.000 1.034 266 L CA -0.365 54.527 54.840 0.086 0.000 0.806 266 L CB 1.603 43.736 42.059 0.123 0.000 1.244 266 L HN 0.161 nan 8.230 nan 0.000 0.447 267 E N 0.200 120.428 120.200 0.047 0.000 2.508 267 E HA 0.035 4.385 4.350 -0.000 0.000 0.217 267 E C -0.689 175.927 176.600 0.028 0.000 0.896 267 E CA 0.555 56.975 56.400 0.033 0.000 1.118 267 E CB 0.635 30.347 29.700 0.020 0.000 1.133 267 E HN 0.962 nan 8.360 nan 0.000 0.526 268 D N 0.158 120.577 120.400 0.031 0.000 2.997 268 D HA 0.111 4.751 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 53.434 54.000 0.026 0.000 0.756 268 D CB -0.806 39.996 40.800 0.004 0.000 1.216 268 D HN -0.161 nan 8.370 nan 0.000 0.496 269 N N 0.343 119.086 118.700 0.072 0.000 2.696 269 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 269 N C -0.606 174.969 175.510 0.107 0.000 1.090 269 N CA 0.705 53.822 53.050 0.112 0.000 0.716 269 N CB -0.913 37.656 38.487 0.136 0.000 1.020 269 N HN 0.682 nan 8.380 nan 0.000 0.548 270 L N 0.273 121.569 121.223 0.121 0.000 2.543 270 L HA 0.328 4.668 4.340 -0.000 0.000 0.265 270 L C -0.277 176.691 176.870 0.164 0.000 0.945 270 L CA -1.171 53.761 54.840 0.153 0.000 0.869 270 L CB 1.075 43.158 42.059 0.039 0.000 1.294 270 L HN 0.155 nan 8.230 nan 0.000 0.405 271 Y N 3.300 123.728 120.300 0.212 0.000 2.712 271 Y HA 0.263 4.813 4.550 -0.000 0.000 0.333 271 Y C -0.151 175.806 175.900 0.095 0.000 1.225 271 Y CA 0.013 58.204 58.100 0.152 0.000 1.499 271 Y CB 0.470 39.033 38.460 0.172 0.000 1.288 271 Y HN 0.541 nan 8.280 nan 0.000 0.575 272 K N 4.201 124.537 120.400 -0.107 0.000 2.895 272 K HA 0.245 4.565 4.320 -0.000 0.000 0.200 272 K C 0.278 176.877 176.600 -0.001 0.000 1.133 272 K CA -0.273 55.912 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 -0.491 120.062 120.500 0.089 0.000 2.412 273 R HA 0.040 4.380 4.340 -0.000 0.000 0.212 273 R C 1.969 178.333 176.300 0.106 0.000 0.878 273 R CA 0.718 56.852 56.100 0.056 0.000 1.022 273 R CB -0.036 30.248 30.300 -0.028 0.000 1.265 273 R HN 0.171 nan 8.270 nan 0.000 0.620 274 S N 1.594 117.402 115.700 0.181 0.000 2.440 274 S HA -0.146 4.324 4.470 -0.000 0.000 0.240 274 S C 1.366 176.082 174.600 0.192 0.000 1.014 274 S CA 1.366 59.673 58.200 0.178 0.000 0.980 274 S CB -0.197 63.026 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 0.590 176.171 175.510 0.119 0.000 1.020 275 N CA 1.182 54.308 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 -0.124 120.158 120.200 0.137 0.000 2.320 276 E HA 0.218 4.568 4.350 -0.000 0.000 0.234 276 E C -0.960 175.767 176.600 0.213 0.000 1.290 276 E CA -0.174 56.303 56.400 0.129 0.000 1.545 276 E CB -0.483 29.273 29.700 0.094 0.000 1.379 276 E HN 0.228 nan 8.360 nan 0.000 0.437 277 F N -0.318 119.627 119.950 -0.008 0.000 2.669 277 F HA 0.300 4.827 4.527 -0.000 0.000 0.315 277 F C -1.582 174.183 175.800 -0.059 0.000 1.109 277 F CA -1.225 56.761 58.000 -0.024 0.000 1.028 277 F CB 1.397 40.384 39.000 -0.022 0.000 1.287 277 F HN -0.185 nan 8.300 nan 0.000 0.452 278 D N 2.545 122.426 120.400 -0.865 0.000 2.388 278 D HA 0.279 4.919 4.640 -0.000 0.000 0.254 278 D C -1.040 174.774 176.300 -0.809 0.000 1.111 278 D CA 0.135 53.790 54.000 -0.574 0.000 0.993 278 D CB 0.786 41.401 40.800 -0.307 0.000 1.118 278 D HN 0.474 nan 8.370 nan 0.000 0.502 279 Y N 0.547 120.635 120.300 -0.353 0.000 2.411 279 Y HA 0.216 4.766 4.550 -0.000 0.000 0.333 279 Y C -1.450 174.373 175.900 -0.128 0.000 1.186 279 Y CA -1.549 56.449 58.100 -0.170 0.000 1.381 279 Y CB 0.555 38.992 38.460 -0.038 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 -0.517 176.867 177.300 0.140 0.000 1.195 280 P CA -0.137 63.024 63.100 0.103 0.000 0.762 280 P CB 0.466 32.234 31.700 0.113 0.000 0.799 281 S N 2.268 118.018 115.700 0.083 0.000 2.572 281 S HA -0.030 4.440 4.470 -0.000 0.000 0.267 281 S C 1.420 176.055 174.600 0.058 0.000 1.361 281 S CA -0.259 57.985 58.200 0.074 0.000 1.009 281 S CB 0.298 63.507 63.200 0.015 0.000 0.888 281 S HN 0.313 nan 8.310 nan 0.000 0.553 282 V N 2.387 122.296 119.914 -0.008 0.000 2.332 282 V HA 0.011 4.131 4.120 -0.000 0.000 0.248 282 V C 2.054 178.125 176.094 -0.038 0.000 1.055 282 V CA 2.583 64.852 62.300 -0.052 0.000 1.038 282 V CB -1.381 30.304 31.823 -0.230 0.000 0.651 282 V HN 1.078 nan 8.190 nan 0.000 0.450 283 G N -1.498 107.269 108.800 -0.054 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 1.253 176.137 174.900 -0.027 0.000 1.165 283 G CA 0.500 45.570 45.100 -0.050 0.000 0.776 283 G HN 0.607 nan 8.290 nan 0.000 0.541 284 Q N -0.285 119.510 119.800 -0.009 0.000 2.415 284 Q HA 0.280 4.620 4.340 -0.000 0.000 0.206 284 Q C 1.640 177.650 176.000 0.016 0.000 0.946 284 Q CA 0.151 55.961 55.803 0.012 0.000 0.951 284 Q CB -0.031 28.720 28.738 0.021 0.000 1.026 284 Q HN 0.499 nan 8.270 nan 0.000 0.510 285 L N -1.540 119.679 121.223 -0.007 0.000 2.435 285 L HA 0.292 4.632 4.340 -0.000 0.000 0.195 285 L C 2.203 179.037 176.870 -0.059 0.000 1.072 285 L CA 0.595 55.409 54.840 -0.043 0.000 0.833 285 L CB -0.544 41.482 42.059 -0.055 0.000 1.081 285 L HN 0.142 nan 8.230 nan 0.000 0.485 286 A N -0.622 122.168 122.820 -0.051 0.000 2.148 286 A HA -0.275 4.044 4.320 -0.000 0.000 0.222 286 A C 2.072 179.623 177.584 -0.055 0.000 1.161 286 A CA 1.878 53.870 52.037 -0.074 0.000 0.662 286 A CB -0.947 18.009 19.000 -0.073 0.000 0.799 286 A HN 0.564 nan 8.150 nan 0.000 0.466 287 H N -1.162 117.836 119.070 -0.119 0.000 2.315 287 H HA 0.029 4.585 4.556 -0.000 0.000 0.318 287 H C 2.158 177.414 175.328 -0.120 0.000 1.068 287 H CA 1.446 57.425 56.048 -0.116 0.000 1.465 287 H CB 0.030 29.735 29.762 -0.094 0.000 1.475 287 H HN 0.342 nan 8.280 nan 0.000 0.597 288 K N 1.104 121.420 120.400 -0.140 0.000 2.009 288 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 288 K C 2.415 178.872 176.600 -0.239 0.000 1.049 288 K CA 1.488 57.648 56.287 -0.212 0.000 0.929 288 K CB -0.909 31.540 32.500 -0.086 0.000 0.714 288 K HN 0.237 nan 8.250 nan 0.000 0.440 289 L N 0.592 121.696 121.223 -0.198 0.000 1.990 289 L HA -0.101 4.239 4.340 -0.000 0.000 0.213 289 L C 2.061 178.782 176.870 -0.247 0.000 1.072 289 L CA 2.510 57.214 54.840 -0.226 0.000 0.755 289 L CB -1.146 40.799 42.059 -0.191 0.000 0.889 289 L HN 0.260 nan 8.230 nan 0.000 0.432 290 A N -1.557 121.126 122.820 -0.229 0.000 2.209 290 A HA -0.165 4.155 4.320 -0.000 0.000 0.212 290 A C 2.231 179.667 177.584 -0.246 0.000 1.158 290 A CA 1.290 53.188 52.037 -0.233 0.000 0.742 290 A CB -0.680 18.188 19.000 -0.221 0.000 0.790 290 A HN 0.677 nan 8.150 nan 0.000 0.472 291 E N -0.007 120.022 120.200 -0.285 0.000 2.170 291 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 291 E C 0.505 176.965 176.600 -0.235 0.000 0.981 291 E CA 0.635 56.867 56.400 -0.280 0.000 0.830 291 E CB 0.006 29.485 29.700 -0.369 0.000 0.775 291 E HN 0.495 nan 8.360 nan 0.000 0.470 292 N N 1.270 119.812 118.700 -0.263 0.000 2.276 292 N HA 0.048 4.788 4.740 -0.000 0.000 0.212 292 N C -0.845 174.492 175.510 -0.288 0.000 1.127 292 N CA 0.213 53.097 53.050 -0.278 0.000 0.834 292 N CB 0.087 38.362 38.487 -0.353 0.000 1.014 292 N HN 0.218 nan 8.380 nan 0.000 0.491 293 N N 0.092 118.641 118.700 -0.251 0.000 2.740 293 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 293 N C -1.077 174.275 175.510 -0.264 0.000 1.062 293 N CA 0.312 53.217 53.050 -0.242 0.000 0.704 293 N CB -1.150 37.218 38.487 -0.198 0.000 0.968 293 N HN 0.339 nan 8.380 nan 0.000 0.547 294 I N 0.483 120.877 120.570 -0.294 0.000 2.493 294 I HA 0.336 4.506 4.170 -0.000 0.000 0.298 294 I C -0.255 175.722 176.117 -0.233 0.000 0.998 294 I CA -0.626 60.498 61.300 -0.294 0.000 1.137 294 I CB 1.722 39.476 38.000 -0.411 0.000 1.310 294 I HN -0.006 nan 8.210 nan 0.000 0.445 295 Q N 5.826 125.511 119.800 -0.191 0.000 2.350 295 Q HA 0.391 4.730 4.340 -0.000 0.000 0.255 295 Q C -2.583 173.297 176.000 -0.201 0.000 0.951 295 Q CA -1.841 53.847 55.803 -0.191 0.000 0.751 295 Q CB 2.119 30.758 28.738 -0.165 0.000 1.296 295 Q HN 0.236 nan 8.270 nan 0.000 0.453 296 P HA 0.199 nan 4.420 nan 0.000 0.270 296 P C -0.231 176.798 177.300 -0.453 0.000 1.223 296 P CA 0.037 62.932 63.100 -0.341 0.000 0.785 296 P CB 0.771 32.183 31.700 -0.481 0.000 0.923 297 I N 2.224 122.569 120.570 -0.374 0.000 2.437 297 I HA 0.241 4.411 4.170 -0.000 0.000 0.279 297 I C -0.267 175.690 176.117 -0.267 0.000 1.028 297 I CA -0.773 60.345 61.300 -0.303 0.000 1.142 297 I CB 0.356 38.272 38.000 -0.139 0.000 1.266 297 I HN 0.152 nan 8.210 nan 0.000 0.461 298 F N 4.894 124.781 119.950 -0.104 0.000 2.602 298 F HA 0.290 4.817 4.527 -0.000 0.000 0.385 298 F C 0.937 176.675 175.800 -0.102 0.000 1.063 298 F CA -0.066 57.823 58.000 -0.185 0.000 1.233 298 F CB 0.417 39.263 39.000 -0.256 0.000 1.067 298 F HN 0.495 nan 8.300 nan 0.000 0.564 299 A N 4.004 126.873 122.820 0.081 0.000 2.768 299 A HA 0.642 4.962 4.320 -0.000 0.000 0.298 299 A C -0.830 176.800 177.584 0.077 0.000 1.159 299 A CA -0.369 51.711 52.037 0.071 0.000 0.783 299 A CB 0.223 19.248 19.000 0.041 0.000 1.333 299 A HN 0.812 nan 8.150 nan 0.000 0.412 300 V N -0.684 119.302 119.914 0.120 0.000 3.087 300 V HA 0.900 5.020 4.120 -0.000 0.000 0.311 300 V C 0.423 176.610 176.094 0.155 0.000 1.333 300 V CA -0.218 62.180 62.300 0.164 0.000 1.054 300 V CB 0.789 32.789 31.823 0.294 0.000 1.123 300 V HN 1.220 nan 8.190 nan 0.000 0.473 301 T N -0.608 114.043 114.554 0.162 0.000 2.748 301 T HA 0.213 4.563 4.350 -0.000 0.000 0.304 301 T C 1.297 176.070 174.700 0.122 0.000 1.041 301 T CA 0.463 62.638 62.100 0.126 0.000 1.033 301 T CB 0.668 69.606 68.868 0.116 0.000 0.995 301 T HN 1.770 nan 8.240 nan 0.000 0.536 302 S N -0.159 115.596 115.700 0.091 0.000 2.481 302 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 302 S C 1.897 176.539 174.600 0.070 0.000 0.996 302 S CA 0.250 58.496 58.200 0.077 0.000 0.942 302 S CB -0.523 62.713 63.200 0.060 0.000 0.768 302 S HN 0.769 nan 8.310 nan 0.000 0.520 303 R N 0.197 120.742 120.500 0.074 0.000 2.189 303 R HA 0.182 4.522 4.340 -0.000 0.000 0.218 303 R C 0.845 177.182 176.300 0.061 0.000 1.074 303 R CA 0.875 57.011 56.100 0.061 0.000 0.991 303 R CB -0.052 30.286 30.300 0.063 0.000 0.883 303 R HN 0.380 nan 8.270 nan 0.000 0.457 304 M N 0.228 119.887 119.600 0.098 0.000 2.589 304 M HA 0.053 4.533 4.480 -0.000 0.000 0.344 304 M C 1.158 177.536 176.300 0.130 0.000 1.168 304 M CA 0.055 55.408 55.300 0.088 0.000 0.956 304 M CB 0.994 33.709 32.600 0.192 0.000 1.370 304 M HN -0.025 nan 8.290 nan 0.000 0.518 305 V N 1.137 121.116 119.914 0.108 0.000 2.407 305 V HA -0.086 4.034 4.120 -0.000 0.000 0.245 305 V C 1.845 177.972 176.094 0.055 0.000 1.041 305 V CA 1.838 64.208 62.300 0.117 0.000 1.040 305 V CB 0.072 31.948 31.823 0.089 0.000 0.671 305 V HN 0.415 nan 8.190 nan 0.000 0.455 306 K N -0.697 119.712 120.400 0.014 0.000 2.444 306 K HA 0.035 4.355 4.320 -0.000 0.000 0.193 306 K C 1.858 178.423 176.600 -0.058 0.000 1.024 306 K CA 0.882 57.161 56.287 -0.014 0.000 1.077 306 K CB 0.171 32.668 32.500 -0.005 0.000 0.833 306 K HN 0.494 nan 8.250 nan 0.000 0.517 307 T N -0.694 113.796 114.554 -0.107 0.000 2.976 307 T HA -0.045 4.305 4.350 -0.000 0.000 0.257 307 T C 1.277 175.786 174.700 -0.319 0.000 1.051 307 T CA 0.787 62.778 62.100 -0.181 0.000 1.141 307 T CB -0.021 68.728 68.868 -0.199 0.000 0.881 307 T HN 0.122 nan 8.240 nan 0.000 0.461 308 Y N 1.358 121.487 120.300 -0.285 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 -0.512 0.000 1.131 308 Y CA 0.529 58.251 58.100 -0.631 0.000 1.281 308 Y CB -0.280 37.726 38.460 -0.756 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 -0.126 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 -0.077 0.000 0.985 309 E CA 1.356 57.713 56.400 -0.071 0.000 0.801 309 E CB 0.017 29.702 29.700 -0.025 0.000 0.750 309 E HN -0.028 nan 8.360 nan 0.000 0.452 310 K N 0.065 120.411 120.400 -0.089 0.000 2.283 310 K HA -0.083 4.236 4.320 -0.000 0.000 0.202 310 K C 1.938 178.485 176.600 -0.088 0.000 1.048 310 K CA 0.580 56.824 56.287 -0.071 0.000 0.948 310 K CB -0.331 32.131 32.500 -0.063 0.000 0.742 310 K HN 0.235 nan 8.250 nan 0.000 0.458 311 L N 1.131 122.259 121.223 -0.158 0.000 2.313 311 L HA -0.026 4.314 4.340 -0.000 0.000 0.214 311 L C 1.725 178.552 176.870 -0.073 0.000 1.119 311 L CA 1.659 56.397 54.840 -0.169 0.000 0.809 311 L CB -0.607 41.232 42.059 -0.367 0.000 0.933 311 L HN 0.009 nan 8.230 nan 0.000 0.449 312 T N -0.453 114.066 114.554 -0.059 0.000 2.821 312 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 312 T C 1.650 176.388 174.700 0.063 0.000 1.046 312 T CA 1.202 63.353 62.100 0.084 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 1.032 121.243 120.200 0.018 0.000 2.038 313 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 313 E C 2.228 178.833 176.600 0.009 0.000 1.000 313 E CA 0.920 57.329 56.400 0.015 0.000 0.803 313 E CB -0.354 29.341 29.700 -0.007 0.000 0.750 313 E HN 0.364 nan 8.360 nan 0.000 0.448 314 I N 1.194 121.757 120.570 -0.010 0.000 2.087 314 I HA -0.126 4.044 4.170 -0.000 0.000 0.231 314 I C 1.849 177.950 176.117 -0.028 0.000 1.058 314 I CA 0.378 61.661 61.300 -0.028 0.000 1.328 314 I CB -0.967 37.008 38.000 -0.042 0.000 1.079 314 I HN 0.076 nan 8.210 nan 0.000 0.397 315 I N 2.400 122.965 120.570 -0.008 0.000 2.692 315 I HA 0.033 4.203 4.170 -0.000 0.000 0.284 315 I C -2.015 174.092 176.117 -0.016 0.000 1.159 315 I CA -1.259 60.026 61.300 -0.025 0.000 1.423 315 I CB 1.076 39.082 38.000 0.009 0.000 1.380 315 I HN 0.019 nan 8.210 nan 0.000 0.580 316 P HA 0.141 nan 4.420 nan 0.000 0.277 316 P C -1.409 175.916 177.300 0.042 0.000 1.271 316 P CA -0.504 62.539 63.100 -0.095 0.000 0.795 316 P CB 0.272 31.640 31.700 -0.554 0.000 1.101 317 K N -0.586 119.970 120.400 0.260 0.000 4.814 317 K HA -0.060 4.260 4.320 -0.000 0.000 0.295 317 K C -0.664 175.948 176.600 0.020 0.000 0.828 317 K CA 0.686 57.068 56.287 0.158 0.000 0.895 317 K CB -2.151 30.408 32.500 0.098 0.000 1.810 317 K HN 0.676 nan 8.250 nan 0.000 0.418 318 S N -0.801 114.930 115.700 0.052 0.000 2.562 318 S HA 0.740 5.210 4.470 -0.000 0.000 0.274 318 S C -0.778 173.892 174.600 0.117 0.000 1.160 318 S CA -0.620 57.583 58.200 0.005 0.000 0.933 318 S CB 2.284 65.527 63.200 0.071 0.000 1.100 318 S HN 0.546 nan 8.310 nan 0.000 0.468 319 A N 1.891 124.762 122.820 0.084 0.000 2.330 319 A HA 0.937 5.257 4.320 -0.000 0.000 0.329 319 A C -0.031 177.688 177.584 0.224 0.000 1.135 319 A CA -0.683 51.432 52.037 0.129 0.000 0.817 319 A CB 1.329 20.366 19.000 0.060 0.000 1.269 319 A HN 1.999 nan 8.150 nan 0.000 0.469 320 V N -0.913 119.106 119.914 0.175 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 0.121 0.000 1.029 320 V CA 0.064 62.465 62.300 0.169 0.000 0.874 320 V CB 1.070 32.963 31.823 0.116 0.000 0.985 320 V HN 1.390 nan 8.190 nan 0.000 0.438 321 G N 3.108 111.981 108.800 0.122 0.000 2.814 321 G HA2 0.448 4.408 3.960 -0.000 0.000 0.300 321 G HA3 0.448 4.408 3.960 -0.000 0.000 0.300 321 G C -0.626 174.332 174.900 0.097 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 2.663 122.916 120.200 0.087 0.000 2.259 322 E HA 0.406 4.756 4.350 -0.000 0.000 0.281 322 E C -0.607 176.039 176.600 0.076 0.000 1.037 322 E CA -0.244 56.207 56.400 0.085 0.000 0.854 322 E CB 1.108 30.852 29.700 0.074 0.000 1.051 322 E HN 0.430 nan 8.360 nan 0.000 0.409 323 L N 1.008 122.279 121.223 0.079 0.000 2.341 323 L HA 0.601 4.941 4.340 -0.000 0.000 0.254 323 L C -0.049 176.861 176.870 0.068 0.000 1.040 323 L CA -1.026 53.857 54.840 0.071 0.000 0.837 323 L CB 1.054 43.159 42.059 0.076 0.000 1.425 323 L HN 0.120 nan 8.230 nan 0.000 0.414 324 S N -0.439 115.297 115.700 0.060 0.000 2.614 324 S HA 0.177 4.647 4.470 -0.000 0.000 0.265 324 S C 0.710 175.345 174.600 0.058 0.000 1.303 324 S CA -0.102 58.130 58.200 0.055 0.000 1.000 324 S CB 0.870 64.097 63.200 0.046 0.000 0.935 324 S HN 0.780 nan 8.310 nan 0.000 0.551 325 E N 1.100 121.332 120.200 0.054 0.000 2.526 325 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 325 E C 0.556 177.184 176.600 0.047 0.000 1.091 325 E CA 0.547 56.979 56.400 0.055 0.000 0.880 325 E CB -0.234 29.497 29.700 0.052 0.000 0.873 325 E HN 0.610 nan 8.360 nan 0.000 0.527 326 D N -2.084 118.342 120.400 0.044 0.000 2.407 326 D HA 0.054 4.694 4.640 -0.000 0.000 0.208 326 D C 0.057 176.384 176.300 0.045 0.000 1.083 326 D CA 0.278 54.299 54.000 0.036 0.000 0.844 326 D CB -0.224 40.592 40.800 0.028 0.000 0.967 326 D HN -0.046 nan 8.370 nan 0.000 0.506 327 S N -0.765 114.972 115.700 0.061 0.000 3.641 327 S HA -0.220 4.250 4.470 -0.000 0.000 0.346 327 S C 1.280 175.922 174.600 0.070 0.000 1.074 327 S CA 0.807 59.055 58.200 0.081 0.000 1.026 327 S CB -2.162 61.100 63.200 0.104 0.000 0.908 327 S HN 0.656 nan 8.310 nan 0.000 0.479 328 S N 1.162 116.894 115.700 0.054 0.000 2.421 328 S HA -0.037 4.433 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 0.553 58.779 58.200 0.042 0.000 0.953 328 S CB -0.282 62.937 63.200 0.032 0.000 0.810 328 S HN 0.758 nan 8.310 nan 0.000 0.497 329 N N 1.875 120.609 118.700 0.056 0.000 2.802 329 N HA 0.174 4.914 4.740 -0.000 0.000 0.288 329 N C 0.591 176.146 175.510 0.074 0.000 1.268 329 N CA -0.218 52.867 53.050 0.059 0.000 1.035 329 N CB 0.416 38.935 38.487 0.054 0.000 1.353 329 N HN 0.291 nan 8.380 nan 0.000 0.522 330 V N -0.421 119.547 119.914 0.089 0.000 2.878 330 V HA -0.010 4.110 4.120 -0.000 0.000 0.250 330 V C 1.456 177.623 176.094 0.121 0.000 1.075 330 V CA 0.824 63.197 62.300 0.122 0.000 1.096 330 V CB 0.053 31.983 31.823 0.178 0.000 0.724 330 V HN 0.256 nan 8.190 nan 0.000 0.467 331 V N 0.051 120.023 119.914 0.096 0.000 2.871 331 V HA -0.147 3.973 4.120 -0.000 0.000 0.256 331 V C 2.232 178.376 176.094 0.083 0.000 1.082 331 V CA 1.803 64.156 62.300 0.089 0.000 1.105 331 V CB -0.542 31.320 31.823 0.066 0.000 0.713 331 V HN 0.648 nan 8.190 nan 0.000 0.473 332 Q N -0.169 119.675 119.800 0.075 0.000 2.472 332 Q HA -0.012 4.328 4.340 -0.000 0.000 0.208 332 Q C 2.010 178.055 176.000 0.075 0.000 0.958 332 Q CA 0.624 56.469 55.803 0.070 0.000 0.932 332 Q CB -0.053 28.721 28.738 0.060 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 0.080 0.000 2.046 333 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 333 L C 1.990 178.901 176.870 0.069 0.000 1.077 333 L CA 1.140 56.024 54.840 0.073 0.000 0.747 333 L CB -0.256 41.847 42.059 0.073 0.000 0.896 333 L HN 0.349 nan 8.230 nan 0.000 0.432 334 I N -0.707 119.914 120.570 0.085 0.000 3.059 334 I HA -0.139 4.031 4.170 -0.000 0.000 0.270 334 I C 2.336 178.547 176.117 0.156 0.000 1.238 334 I CA 0.293 61.651 61.300 0.096 0.000 1.478 334 I CB -0.135 37.937 38.000 0.119 0.000 1.097 334 I HN 0.126 nan 8.210 nan 0.000 0.455 335 K N 1.784 122.261 120.400 0.129 0.000 2.283 335 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 335 K C 1.299 177.968 176.600 0.115 0.000 1.048 335 K CA 1.456 57.819 56.287 0.126 0.000 0.948 335 K CB -0.101 32.452 32.500 0.088 0.000 0.742 335 K HN 0.201 nan 8.250 nan 0.000 0.458 336 N N -0.192 118.565 118.700 0.094 0.000 2.299 336 N HA 0.148 4.888 4.740 -0.000 0.000 0.187 336 N C 0.854 176.404 175.510 0.068 0.000 1.099 336 N CA 0.704 53.801 53.050 0.079 0.000 0.867 336 N CB 0.495 39.022 38.487 0.067 0.000 0.974 336 N HN 0.253 nan 8.380 nan 0.000 0.477 337 A N 0.401 123.255 122.820 0.056 0.000 1.832 337 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 337 A C 1.603 179.179 177.584 -0.015 0.000 1.242 337 A CA 0.756 52.779 52.037 -0.023 0.000 0.603 337 A CB -1.175 17.756 19.000 -0.114 0.000 0.902 337 A HN 0.210 nan 8.150 nan 0.000 0.455 338 Y N 0.826 121.160 120.300 0.056 0.000 2.298 338 Y HA -0.279 4.271 4.550 -0.000 0.000 0.287 338 Y C 2.535 178.471 175.900 0.060 0.000 1.164 338 Y CA 1.348 59.486 58.100 0.063 0.000 1.229 338 Y CB -0.355 38.141 38.460 0.060 0.000 0.977 338 Y HN 0.468 nan 8.280 nan 0.000 0.538 339 N N 0.799 119.612 118.700 0.188 0.000 2.037 339 N HA -0.203 4.537 4.740 -0.000 0.000 0.196 339 N C 0.787 176.359 175.510 0.103 0.000 1.034 339 N CA 1.739 54.864 53.050 0.126 0.000 0.861 339 N CB -0.051 38.494 38.487 0.096 0.000 1.039 339 N HN 0.119 nan 8.380 nan 0.000 0.427 340 K N -0.487 119.963 120.400 0.083 0.000 2.619 340 K HA 0.163 4.483 4.320 -0.000 0.000 0.201 340 K C 0.383 177.016 176.600 0.055 0.000 1.090 340 K CA -0.168 56.159 56.287 0.066 0.000 1.063 340 K CB 0.634 33.167 32.500 0.055 0.000 0.810 340 K HN 0.179 nan 8.250 nan 0.000 0.506 341 L N -0.395 120.863 121.223 0.058 0.000 2.577 341 L HA 0.252 4.592 4.340 -0.000 0.000 0.225 341 L C 1.236 178.164 176.870 0.097 0.000 1.053 341 L CA 1.225 56.086 54.840 0.034 0.000 0.866 341 L CB 0.412 42.437 42.059 -0.056 0.000 1.132 341 L HN -0.132 nan 8.230 nan 0.000 0.486 342 S N -0.920 114.879 115.700 0.165 0.000 2.603 342 S HA 0.066 4.536 4.470 -0.000 0.000 0.220 342 S C 1.665 176.390 174.600 0.207 0.000 0.967 342 S CA 0.802 59.156 58.200 0.257 0.000 0.920 342 S CB -0.063 63.335 63.200 0.330 0.000 0.773 342 S HN 0.460 nan 8.310 nan 0.000 0.529 343 S N 1.001 116.782 115.700 0.135 0.000 2.499 343 S HA 0.179 4.649 4.470 -0.000 0.000 0.225 343 S C 0.753 175.371 174.600 0.029 0.000 1.050 343 S CA -0.114 58.141 58.200 0.091 0.000 0.928 343 S CB 0.203 63.443 63.200 0.067 0.000 0.803 343 S HN 0.365 nan 8.310 nan 0.000 0.506 344 R N 2.606 123.091 120.500 -0.025 0.000 2.609 344 R HA 0.209 4.549 4.340 -0.000 0.000 0.271 344 R C -1.032 175.086 176.300 -0.304 0.000 1.403 344 R CA -0.080 55.871 56.100 -0.249 0.000 1.138 344 R CB -0.084 30.047 30.300 -0.282 0.000 1.142 344 R HN 0.091 nan 8.270 nan 0.000 0.559 345 V N 4.955 124.732 119.914 -0.228 0.000 2.470 345 V HA 0.137 4.257 4.120 -0.000 0.000 0.276 345 V C 0.248 176.093 176.094 -0.415 0.000 1.040 345 V CA 0.367 62.545 62.300 -0.204 0.000 1.008 345 V CB -0.011 31.787 31.823 -0.042 0.000 0.990 345 V HN 0.437 nan 8.190 nan 0.000 0.477 346 F N 4.333 124.202 119.950 -0.135 0.000 2.523 346 F HA 0.680 5.207 4.527 -0.000 0.000 0.329 346 F C 0.155 175.729 175.800 -0.377 0.000 1.061 346 F CA -0.725 57.145 58.000 -0.217 0.000 0.967 346 F CB 1.984 40.932 39.000 -0.087 0.000 1.218 346 F HN 0.282 nan 8.300 nan 0.000 0.480 347 L N 2.190 123.290 121.223 -0.205 0.000 2.806 347 L HA 0.298 4.638 4.340 -0.000 0.000 0.319 347 L C -0.874 175.796 176.870 -0.334 0.000 1.307 347 L CA 0.003 54.613 54.840 -0.383 0.000 0.710 347 L CB -0.513 41.056 42.059 -0.818 0.000 1.093 347 L HN 0.425 nan 8.230 nan 0.000 0.546 348 D N 0.104 120.416 120.400 -0.146 0.000 2.440 348 D HA 0.485 5.125 4.640 -0.000 0.000 0.269 348 D C -0.060 176.350 176.300 0.184 0.000 1.249 348 D CA 0.163 54.138 54.000 -0.042 0.000 1.055 348 D CB 0.536 41.237 40.800 -0.165 0.000 1.104 348 D HN 0.418 nan 8.370 nan 0.000 0.561 349 H N -1.907 117.208 119.070 0.076 0.000 3.008 349 H HA 0.369 4.925 4.556 -0.000 0.000 0.354 349 H C -0.763 174.619 175.328 0.089 0.000 1.252 349 H CA -0.888 55.249 56.048 0.148 0.000 1.117 349 H CB 0.159 30.066 29.762 0.242 0.000 1.857 349 H HN 0.061 nan 8.280 nan 0.000 0.547 350 N N 0.123 118.934 118.700 0.185 0.000 2.407 350 N HA 0.159 4.899 4.740 -0.000 0.000 0.250 350 N C 0.140 175.675 175.510 0.041 0.000 1.236 350 N CA 0.417 53.521 53.050 0.091 0.000 0.879 350 N CB 0.379 38.956 38.487 0.149 0.000 1.088 350 N HN 0.717 nan 8.380 nan 0.000 0.450 351 A N 2.435 125.241 122.820 -0.023 0.000 2.512 351 A HA 0.108 4.428 4.320 -0.000 0.000 0.278 351 A C 0.282 177.869 177.584 0.006 0.000 1.128 351 A CA -0.196 51.817 52.037 -0.040 0.000 0.818 351 A CB -1.197 17.778 19.000 -0.041 0.000 1.044 351 A HN 0.591 nan 8.150 nan 0.000 0.526 352 L N 2.827 124.060 121.223 0.016 0.000 2.464 352 L HA 0.627 4.967 4.340 -0.000 0.000 0.264 352 L C -1.816 175.032 176.870 -0.036 0.000 1.199 352 L CA -1.752 53.064 54.840 -0.040 0.000 0.818 352 L CB -0.899 41.066 42.059 -0.157 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 -0.304 176.972 177.300 -0.040 0.000 1.215 353 P CA -0.148 62.934 63.100 -0.030 0.000 0.780 353 P CB 0.482 32.169 31.700 -0.021 0.000 0.898 354 D N -0.348 120.030 120.400 -0.037 0.000 2.263 354 D HA -0.157 4.483 4.640 -0.000 0.000 0.208 354 D C 1.158 177.431 176.300 -0.046 0.000 0.971 354 D CA 1.534 55.508 54.000 -0.043 0.000 0.867 354 D CB -1.399 39.371 40.800 -0.049 0.000 0.929 354 D HN 0.447 nan 8.370 nan 0.000 0.492 355 T N -2.209 112.321 114.554 -0.040 0.000 3.227 355 T HA 0.202 4.552 4.350 -0.000 0.000 0.257 355 T C 0.697 175.376 174.700 -0.035 0.000 1.162 355 T CA -0.099 61.981 62.100 -0.034 0.000 1.051 355 T CB -0.444 68.409 68.868 -0.025 0.000 0.953 355 T HN 0.136 nan 8.240 nan 0.000 0.535 356 L N -0.117 121.076 121.223 -0.050 0.000 2.376 356 L HA 0.669 5.009 4.340 -0.000 0.000 0.258 356 L C -0.792 176.036 176.870 -0.070 0.000 1.013 356 L CA -1.270 53.529 54.840 -0.068 0.000 0.822 356 L CB 2.271 44.261 42.059 -0.116 0.000 1.388 356 L HN -0.186 nan 8.230 nan 0.000 0.413 357 K N 2.000 122.356 120.400 -0.075 0.000 2.535 357 K HA 0.631 4.951 4.320 -0.000 0.000 0.250 357 K C -1.448 175.087 176.600 -0.109 0.000 0.948 357 K CA -0.531 55.718 56.287 -0.062 0.000 0.796 357 K CB 2.693 35.181 32.500 -0.020 0.000 1.216 357 K HN 0.241 nan 8.250 nan 0.000 0.432 358 V N 1.707 121.536 119.914 -0.140 0.000 2.715 358 V HA 0.641 4.761 4.120 -0.000 0.000 0.310 358 V C 0.277 176.265 176.094 -0.176 0.000 1.054 358 V CA -0.596 61.550 62.300 -0.257 0.000 0.928 358 V CB 1.999 33.503 31.823 -0.531 0.000 1.007 358 V HN 1.014 nan 8.190 nan 0.000 0.437 359 T N 0.496 114.870 114.554 -0.299 0.000 2.804 359 T HA 0.833 5.182 4.350 -0.000 0.000 0.290 359 T C -1.391 173.051 174.700 -0.430 0.000 1.099 359 T CA -0.651 61.355 62.100 -0.157 0.000 1.011 359 T CB 1.985 70.816 68.868 -0.062 0.000 1.291 359 T HN 0.367 nan 8.240 nan 0.000 0.523 360 Y N -1.114 119.167 120.300 -0.030 0.000 2.677 360 Y HA 0.719 5.269 4.550 -0.000 0.000 0.334 360 Y C -0.852 175.065 175.900 0.029 0.000 1.154 360 Y CA -0.977 57.116 58.100 -0.011 0.000 1.070 360 Y CB 1.586 40.041 38.460 -0.008 0.000 1.294 360 Y HN 0.716 nan 8.280 nan 0.000 0.475 361 D N -0.811 119.751 120.400 0.271 0.000 2.533 361 D HA 0.742 5.382 4.640 -0.000 0.000 0.247 361 D C -1.396 175.072 176.300 0.280 0.000 1.056 361 D CA -0.711 53.407 54.000 0.196 0.000 1.054 361 D CB 2.118 43.007 40.800 0.148 0.000 1.400 361 D HN 0.353 nan 8.370 nan 0.000 0.533 362 S N -0.074 115.708 115.700 0.137 0.000 2.575 362 S HA 0.523 4.993 4.470 -0.000 0.000 0.278 362 S C -1.303 173.238 174.600 -0.098 0.000 1.139 362 S CA -0.570 57.713 58.200 0.137 0.000 0.954 362 S CB 0.762 64.091 63.200 0.215 0.000 1.054 362 S HN 0.306 nan 8.310 nan 0.000 0.483 363 F N 1.613 121.537 119.950 -0.043 0.000 2.622 363 F HA 0.310 4.837 4.527 -0.000 0.000 0.338 363 F C 0.469 176.216 175.800 -0.089 0.000 1.334 363 F CA -0.650 57.315 58.000 -0.059 0.000 1.179 363 F CB 0.343 39.298 39.000 -0.076 0.000 1.471 363 F HN 0.502 nan 8.300 nan 0.000 0.576 364 c N 0.534 119.173 118.600 0.064 0.000 2.801 364 c HA 0.045 4.615 4.570 -0.000 0.000 0.376 364 c C 2.228 176.348 174.090 0.049 0.000 1.323 364 c CA 0.685 57.038 56.329 0.041 0.000 2.170 364 c CB 0.824 43.358 42.510 0.040 0.000 2.650 364 c HN 0.861 nan 8.230 nan 0.000 0.736 365 S N 1.227 116.946 115.700 0.031 0.000 2.388 365 S HA -0.082 4.388 4.470 -0.000 0.000 0.223 365 S C 0.552 175.165 174.600 0.022 0.000 1.034 365 S CA 0.768 58.984 58.200 0.025 0.000 0.963 365 S CB -0.549 62.662 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 5.188 4.740 -0.000 0.000 0.266 366 N C 1.012 176.522 175.510 0.001 0.000 1.168 366 N CA 0.286 53.342 53.050 0.011 0.000 1.055 366 N CB -0.172 38.321 38.487 0.011 0.000 1.393 366 N HN 0.573 nan 8.380 nan 0.000 0.514 367 G N -0.130 108.673 108.800 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 -0.088 174.792 174.900 -0.034 0.000 1.103 367 G CA 0.252 45.346 45.100 -0.008 0.000 0.647 367 G HN 0.564 nan 8.290 nan 0.000 0.512 368 V N 2.231 122.103 119.914 -0.071 0.000 2.529 368 V HA 0.427 4.547 4.120 -0.000 0.000 0.292 368 V C 0.763 176.722 176.094 -0.225 0.000 1.028 368 V CA 1.265 63.444 62.300 -0.202 0.000 1.074 368 V CB 1.195 32.870 31.823 -0.246 0.000 0.958 368 V HN 0.364 nan 8.190 nan 0.000 0.481 369 T N 4.780 119.140 114.554 -0.323 0.000 3.368 369 T HA 0.309 4.659 4.350 -0.000 0.000 0.321 369 T C 0.010 174.416 174.700 -0.490 0.000 1.830 369 T CA -0.247 61.583 62.100 -0.450 0.000 1.494 369 T CB -0.543 68.210 68.868 -0.192 0.000 1.045 369 T HN 0.749 nan 8.240 nan 0.000 0.729 370 H N 1.657 120.473 119.070 -0.423 0.000 2.603 370 H HA 0.601 5.157 4.556 -0.000 0.000 0.370 370 H C 0.571 175.717 175.328 -0.305 0.000 1.225 370 H CA -0.398 55.489 56.048 -0.267 0.000 1.410 370 H CB 0.770 30.442 29.762 -0.150 0.000 1.495 370 H HN 0.227 nan 8.280 nan 0.000 0.602 371 R N 1.514 122.024 120.500 0.016 0.000 2.536 371 R HA 0.154 4.494 4.340 -0.000 0.000 0.269 371 R C -1.281 175.027 176.300 0.014 0.000 1.113 371 R CA -1.074 55.016 56.100 -0.016 0.000 0.948 371 R CB 1.420 31.703 30.300 -0.029 0.000 1.237 371 R HN 0.805 nan 8.270 nan 0.000 0.441 372 N N 2.922 121.639 118.700 0.028 0.000 2.471 372 N HA -0.167 4.573 4.740 -0.000 0.000 0.286 372 N C -1.326 174.197 175.510 0.023 0.000 1.327 372 N CA 1.050 54.117 53.050 0.027 0.000 0.657 372 N CB -0.445 38.050 38.487 0.014 0.000 0.901 372 N HN 0.715 nan 8.380 nan 0.000 0.531 373 Q N -0.612 119.221 119.800 0.054 0.000 2.686 373 Q HA 0.263 4.603 4.340 -0.000 0.000 0.266 373 Q C -2.606 173.467 176.000 0.122 0.000 0.965 373 Q CA -1.078 54.752 55.803 0.044 0.000 0.894 373 Q CB 2.845 31.563 28.738 -0.034 0.000 1.583 373 Q HN 0.115 nan 8.270 nan 0.000 0.405 374 P HA 0.053 nan 4.420 nan 0.000 0.280 374 P C -0.287 176.957 177.300 -0.094 0.000 1.278 374 P CA 0.163 63.356 63.100 0.155 0.000 0.787 374 P CB 0.591 32.357 31.700 0.111 0.000 1.163 375 R N -2.821 117.495 120.500 -0.306 0.000 3.868 375 R HA -0.129 4.211 4.340 -0.000 0.000 0.476 375 R C 0.589 176.628 176.300 -0.435 0.000 0.241 375 R CA 1.237 57.164 56.100 -0.288 0.000 1.496 375 R CB -1.937 28.338 30.300 -0.042 0.000 1.052 375 R HN 0.866 nan 8.270 nan 0.000 0.541 376 G N 0.289 108.914 108.800 -0.291 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 -1.254 173.606 174.900 -0.066 0.000 0.817 376 G CA -0.018 44.895 45.100 -0.313 0.000 0.715 376 G HN 0.505 nan 8.290 nan 0.000 0.480 377 D N 0.881 121.233 120.400 -0.081 0.000 2.359 377 D HA 0.154 4.794 4.640 -0.000 0.000 0.273 377 D C -0.126 176.170 176.300 -0.006 0.000 1.362 377 D CA 0.156 54.084 54.000 -0.119 0.000 1.010 377 D CB 0.014 40.778 40.800 -0.061 0.000 1.090 377 D HN 0.058 nan 8.370 nan 0.000 0.521 378 c N 4.372 122.970 118.600 -0.004 0.000 2.647 378 c HA 0.181 4.751 4.570 -0.000 0.000 0.273 378 c C 0.503 174.603 174.090 0.017 0.000 1.088 378 c CA -1.025 55.339 56.329 0.057 0.000 1.529 378 c CB 0.277 42.852 42.510 0.109 0.000 1.810 378 c HN 0.495 nan 8.230 nan 0.000 0.422 379 D N 1.651 122.058 120.400 0.013 0.000 2.870 379 D HA 0.259 4.899 4.640 -0.000 0.000 0.241 379 D C 1.092 177.411 176.300 0.033 0.000 1.234 379 D CA 0.344 54.351 54.000 0.012 0.000 0.844 379 D CB -0.190 40.617 40.800 0.012 0.000 1.051 379 D HN 0.796 nan 8.370 nan 0.000 0.469 380 G N -0.099 108.725 108.800 0.040 0.000 5.302 380 G HA2 0.371 4.331 3.960 -0.000 0.000 0.223 380 G HA3 0.371 4.331 3.960 -0.000 0.000 0.223 380 G C -0.594 174.334 174.900 0.047 0.000 0.832 380 G CA -0.089 45.035 45.100 0.041 0.000 0.714 380 G HN 0.221 nan 8.290 nan 0.000 0.444 381 V N -2.070 117.881 119.914 0.061 0.000 2.932 381 V HA 0.832 4.952 4.120 -0.000 0.000 0.307 381 V C -0.170 175.980 176.094 0.093 0.000 1.147 381 V CA -0.641 61.703 62.300 0.072 0.000 0.951 381 V CB 1.472 33.348 31.823 0.087 0.000 1.031 381 V HN 0.400 nan 8.190 nan 0.000 0.426 382 Q N 3.921 123.772 119.800 0.084 0.000 1.749 382 Q HA 0.491 4.831 4.340 -0.000 0.000 0.148 382 Q C 1.121 177.167 176.000 0.078 0.000 0.429 382 Q CA -0.202 55.657 55.803 0.093 0.000 0.698 382 Q CB 0.763 29.544 28.738 0.071 0.000 0.863 382 Q HN 0.536 nan 8.270 nan 0.000 0.272 383 I N 0.649 121.242 120.570 0.038 0.000 2.404 383 I HA 0.025 4.195 4.170 -0.000 0.000 0.231 383 I C 0.703 176.808 176.117 -0.020 0.000 1.064 383 I CA 0.786 62.091 61.300 0.008 0.000 1.383 383 I CB 0.134 38.129 38.000 -0.009 0.000 1.171 383 I HN 0.339 nan 8.210 nan 0.000 0.422 384 N N 0.547 119.232 118.700 -0.025 0.000 2.679 384 N HA 0.242 4.982 4.740 -0.000 0.000 0.302 384 N C -1.516 173.973 175.510 -0.035 0.000 1.941 384 N CA 0.073 53.096 53.050 -0.044 0.000 0.875 384 N CB 0.782 39.242 38.487 -0.046 0.000 1.278 384 N HN -0.118 nan 8.380 nan 0.000 0.490 385 V N 2.400 122.299 119.914 -0.025 0.000 2.419 385 V HA 0.451 4.571 4.120 -0.000 0.000 0.287 385 V C -2.021 174.064 176.094 -0.014 0.000 1.017 385 V CA -1.457 60.833 62.300 -0.017 0.000 0.844 385 V CB 1.705 33.527 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 -0.279 177.015 177.300 -0.010 0.000 1.233 386 P CA 0.181 63.267 63.100 -0.024 0.000 0.795 386 P CB 0.583 32.262 31.700 -0.035 0.000 0.936 387 I N -4.358 116.206 120.570 -0.010 0.000 3.343 387 I HA 0.689 4.859 4.170 -0.000 0.000 0.315 387 I C -1.135 174.852 176.117 -0.216 0.000 1.153 387 I CA -0.852 60.373 61.300 -0.125 0.000 0.952 387 I CB 2.353 40.239 38.000 -0.191 0.000 1.287 387 I HN 0.041 nan 8.210 nan 0.000 0.472 388 T N 2.184 116.502 114.554 -0.393 0.000 3.031 388 T HA 0.586 4.936 4.350 -0.000 0.000 0.305 388 T C -1.183 173.287 174.700 -0.384 0.000 0.985 388 T CA -0.156 61.789 62.100 -0.258 0.000 1.008 388 T CB 0.722 69.547 68.868 -0.070 0.000 1.005 388 T HN 0.379 nan 8.240 nan 0.000 0.444 389 F N 2.071 122.110 119.950 0.148 0.000 2.477 389 F HA 0.469 4.996 4.527 -0.000 0.000 0.335 389 F C 0.588 176.446 175.800 0.096 0.000 1.130 389 F CA -1.033 57.054 58.000 0.145 0.000 0.948 389 F CB 1.868 40.957 39.000 0.148 0.000 1.154 389 F HN 0.344 nan 8.300 nan 0.000 0.439 390 Q N 3.754 123.699 119.800 0.241 0.000 2.421 390 Q HA 0.405 4.745 4.340 -0.000 0.000 0.242 390 Q C -1.252 174.691 176.000 -0.094 0.000 1.024 390 Q CA -0.503 55.336 55.803 0.060 0.000 0.891 390 Q CB 1.100 29.886 28.738 0.081 0.000 1.222 390 Q HN 0.579 nan 8.270 nan 0.000 0.483 391 V N 5.172 124.865 119.914 -0.368 0.000 2.427 391 V HA 0.189 4.309 4.120 -0.000 0.000 0.268 391 V C -0.129 175.538 176.094 -0.713 0.000 1.046 391 V CA -0.076 61.793 62.300 -0.719 0.000 0.970 391 V CB 0.793 31.966 31.823 -1.083 0.000 1.001 391 V HN 0.640 nan 8.190 nan 0.000 0.476 392 K N 4.454 124.588 120.400 -0.443 0.000 2.449 392 K HA 0.561 4.881 4.320 -0.000 0.000 0.257 392 K C -1.109 175.393 176.600 -0.163 0.000 0.989 392 K CA -0.522 55.629 56.287 -0.227 0.000 0.916 392 K CB 1.979 34.401 32.500 -0.131 0.000 1.136 392 K HN 0.457 nan 8.250 nan 0.000 0.439 393 V N 2.950 122.850 119.914 -0.024 0.000 2.394 393 V HA 0.308 4.428 4.120 -0.000 0.000 0.282 393 V C 0.006 176.115 176.094 0.026 0.000 1.031 393 V CA -0.373 61.937 62.300 0.017 0.000 0.881 393 V CB 1.509 33.438 31.823 0.177 0.000 0.982 393 V HN 0.728 nan 8.190 nan 0.000 0.451 394 T N 3.604 118.151 114.554 -0.012 0.000 2.907 394 T HA 0.820 5.170 4.350 -0.000 0.000 0.292 394 T C -0.129 174.567 174.700 -0.008 0.000 1.043 394 T CA -0.355 61.745 62.100 -0.001 0.000 1.003 394 T CB 2.037 70.902 68.868 -0.006 0.000 1.084 394 T HN 0.900 nan 8.240 nan 0.000 0.483 395 A N 0.723 123.542 122.820 -0.000 0.000 2.346 395 A HA 0.778 5.098 4.320 -0.000 0.000 0.313 395 A C 1.166 178.748 177.584 -0.003 0.000 1.140 395 A CA -0.305 51.729 52.037 -0.005 0.000 0.826 395 A CB 0.989 19.987 19.000 -0.003 0.000 1.332 395 A HN 0.902 nan 8.150 nan 0.000 0.457 396 T N -2.200 112.354 114.554 -0.000 0.000 3.042 396 T HA 0.257 4.607 4.350 -0.000 0.000 0.245 396 T C 0.476 175.169 174.700 -0.012 0.000 1.029 396 T CA 0.886 62.993 62.100 0.011 0.000 1.120 396 T CB -0.343 68.555 68.868 0.049 0.000 0.917 396 T HN 0.858 nan 8.240 nan 0.000 0.467 397 E N -0.629 119.561 120.200 -0.017 0.000 2.431 397 E HA 0.503 4.853 4.350 -0.000 0.000 0.268 397 E C -1.252 175.330 176.600 -0.029 0.000 0.953 397 E CA -1.274 55.107 56.400 -0.032 0.000 0.810 397 E CB 0.910 30.594 29.700 -0.026 0.000 1.369 397 E HN -0.007 nan 8.360 nan 0.000 0.440 398 c N 2.967 121.546 118.600 -0.035 0.000 2.551 398 c HA 0.213 4.783 4.570 -0.000 0.000 0.378 398 c C 1.066 175.142 174.090 -0.023 0.000 1.101 398 c CA -0.668 55.644 56.329 -0.029 0.000 1.360 398 c CB -2.758 39.732 42.510 -0.033 0.000 1.895 398 c HN 0.477 nan 8.230 nan 0.000 0.540 399 I N 1.186 121.744 120.570 -0.019 0.000 3.332 399 I HA 0.090 4.260 4.170 -0.000 0.000 0.280 399 I C 0.282 176.388 176.117 -0.018 0.000 1.285 399 I CA 0.127 61.417 61.300 -0.016 0.000 1.347 399 I CB 0.464 38.458 38.000 -0.009 0.000 1.353 399 I HN 0.343 nan 8.210 nan 0.000 0.611 400 Q N 2.313 122.103 119.800 -0.015 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 -0.020 0.000 0.926 400 Q CA -0.422 55.370 55.803 -0.018 0.000 0.899 400 Q CB 1.167 29.896 28.738 -0.014 0.000 1.250 400 Q HN 0.645 nan 8.270 nan 0.000 0.441 401 E N 2.515 122.696 120.200 -0.031 0.000 2.585 401 E HA -0.078 4.272 4.350 -0.000 0.000 0.252 401 E C -0.739 175.847 176.600 -0.024 0.000 0.981 401 E CA 0.687 57.062 56.400 -0.042 0.000 0.943 401 E CB 0.381 30.046 29.700 -0.058 0.000 0.923 401 E HN 0.590 nan 8.360 nan 0.000 0.486 402 Q N 1.798 121.590 119.800 -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 -0.979 54.831 55.803 0.013 0.000 0.783 402 Q CB 2.112 30.874 28.738 0.040 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 -1.195 173.477 174.600 0.121 0.000 1.143 403 S CA -0.819 57.393 58.200 0.019 0.000 0.891 403 S CB 0.905 64.074 63.200 -0.052 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 0.001 0.000 2.814 404 F HA 0.945 5.472 4.527 -0.000 0.000 0.353 404 F C -0.987 174.838 175.800 0.041 0.000 1.177 404 F CA -1.195 56.824 58.000 0.031 0.000 1.036 404 F CB 0.896 39.928 39.000 0.054 0.000 1.455 404 F HN 0.717 nan 8.300 nan 0.000 0.520 405 V N -0.530 119.543 119.914 0.266 0.000 2.925 405 V HA 0.670 4.790 4.120 -0.000 0.000 0.311 405 V C -1.176 175.124 176.094 0.343 0.000 1.104 405 V CA -1.023 61.351 62.300 0.123 0.000 0.954 405 V CB 1.778 33.660 31.823 0.097 0.000 1.022 405 V HN 0.874 nan 8.190 nan 0.000 0.427 406 I N 3.466 124.178 120.570 0.237 0.000 2.405 406 I HA 0.545 4.715 4.170 -0.000 0.000 0.280 406 I C 0.260 176.489 176.117 0.186 0.000 1.027 406 I CA -0.360 61.126 61.300 0.311 0.000 1.161 406 I CB 1.155 39.375 38.000 0.366 0.000 1.300 406 I HN 0.660 nan 8.210 nan 0.000 0.463 407 R N 3.668 124.260 120.500 0.152 0.000 2.596 407 R HA 0.778 5.118 4.340 -0.000 0.000 0.267 407 R C -0.175 176.170 176.300 0.074 0.000 1.026 407 R CA -0.802 55.360 56.100 0.104 0.000 1.087 407 R CB 1.605 31.957 30.300 0.087 0.000 1.132 407 R HN 0.607 nan 8.270 nan 0.000 0.531 408 A N 2.775 125.655 122.820 0.099 0.000 2.252 408 A HA 0.297 4.617 4.320 -0.000 0.000 0.309 408 A C 0.166 177.963 177.584 0.356 0.000 1.285 408 A CA -0.625 51.501 52.037 0.148 0.000 0.900 408 A CB 0.124 19.085 19.000 -0.064 0.000 1.157 408 A HN 0.605 nan 8.150 nan 0.000 0.536 409 L N 2.352 123.703 121.223 0.213 0.000 2.667 409 L HA 0.175 4.515 4.340 -0.000 0.000 0.278 409 L C 1.413 178.306 176.870 0.037 0.000 1.217 409 L CA 1.356 56.223 54.840 0.045 0.000 0.935 409 L CB -0.258 41.669 42.059 -0.219 0.000 1.193 409 L HN 1.204 nan 8.230 nan 0.000 0.493 410 G N 3.085 111.784 108.800 -0.168 0.000 2.142 410 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.225 410 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.225 410 G C -0.403 173.978 174.900 -0.865 0.000 1.015 410 G CA -0.528 44.285 45.100 -0.478 0.000 0.716 410 G HN 0.476 nan 8.290 nan 0.000 0.508 411 F N -0.973 118.975 119.950 -0.004 0.000 2.596 411 F HA 0.504 5.031 4.527 -0.000 0.000 0.311 411 F C 1.182 176.974 175.800 -0.013 0.000 1.116 411 F CA -0.282 57.723 58.000 0.008 0.000 0.957 411 F CB 1.693 40.727 39.000 0.057 0.000 1.250 411 F HN 0.104 nan 8.300 nan 0.000 0.444 412 T N -3.362 111.278 114.554 0.143 0.000 3.113 412 T HA 0.028 4.378 4.350 -0.000 0.000 0.256 412 T C 0.067 174.812 174.700 0.076 0.000 1.131 412 T CA 0.096 62.233 62.100 0.061 0.000 1.074 412 T CB -0.499 68.376 68.868 0.010 0.000 0.944 412 T HN 0.304 nan 8.240 nan 0.000 0.516 413 D N 2.027 122.500 120.400 0.122 0.000 2.346 413 D HA 0.296 4.936 4.640 -0.000 0.000 0.260 413 D C -0.180 176.174 176.300 0.090 0.000 1.252 413 D CA -0.032 54.028 54.000 0.100 0.000 0.895 413 D CB 0.418 41.291 40.800 0.121 0.000 1.097 413 D HN 0.479 nan 8.370 nan 0.000 0.489 414 I N 2.102 122.710 120.570 0.064 0.000 2.331 414 I HA 0.125 4.295 4.170 -0.000 0.000 0.292 414 I C -0.036 176.107 176.117 0.044 0.000 0.998 414 I CA -0.845 60.486 61.300 0.053 0.000 1.267 414 I CB 1.406 39.426 38.000 0.034 0.000 1.386 414 I HN -0.037 nan 8.210 nan 0.000 0.476 415 V N 5.521 125.462 119.914 0.045 0.000 2.294 415 V HA 0.123 4.242 4.120 -0.000 0.000 0.272 415 V C 0.367 176.436 176.094 -0.042 0.000 1.027 415 V CA -0.483 61.830 62.300 0.021 0.000 0.823 415 V CB 0.845 32.702 31.823 0.058 0.000 1.030 415 V HN 0.726 nan 8.190 nan 0.000 0.457 416 T N 4.880 119.395 114.554 -0.065 0.000 2.961 416 T HA 0.142 4.492 4.350 -0.000 0.000 0.270 416 T C 0.270 174.842 174.700 -0.214 0.000 0.926 416 T CA 0.030 62.058 62.100 -0.120 0.000 1.112 416 T CB 0.013 68.833 68.868 -0.080 0.000 0.926 416 T HN 0.343 nan 8.240 nan 0.000 0.612 417 V N 5.154 124.841 119.914 -0.379 0.000 2.372 417 V HA 0.161 4.281 4.120 -0.000 0.000 0.261 417 V C 0.678 176.447 176.094 -0.541 0.000 1.055 417 V CA -0.562 61.411 62.300 -0.545 0.000 0.930 417 V CB 0.526 31.837 31.823 -0.853 0.000 1.031 417 V HN 0.762 nan 8.190 nan 0.000 0.479 418 Q N 3.924 123.521 119.800 -0.339 0.000 2.340 418 Q HA 0.481 4.821 4.340 -0.000 0.000 0.249 418 Q C -1.139 174.722 176.000 -0.231 0.000 0.957 418 Q CA -0.229 55.427 55.803 -0.245 0.000 0.882 418 Q CB 1.533 30.159 28.738 -0.187 0.000 1.235 418 Q HN 0.566 nan 8.270 nan 0.000 0.439 419 V N 5.531 125.356 119.914 -0.148 0.000 2.525 419 V HA 0.389 4.509 4.120 -0.000 0.000 0.299 419 V C -0.723 175.292 176.094 -0.133 0.000 1.034 419 V CA -0.663 61.582 62.300 -0.092 0.000 0.863 419 V CB 1.619 33.479 31.823 0.062 0.000 0.999 419 V HN 0.703 nan 8.190 nan 0.000 0.423 420 L N 6.422 127.519 121.223 -0.210 0.000 2.325 420 L HA 0.510 4.850 4.340 -0.000 0.000 0.281 420 L C -2.550 174.232 176.870 -0.148 0.000 1.004 420 L CA -1.905 52.785 54.840 -0.250 0.000 0.823 420 L CB 2.289 44.027 42.059 -0.535 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 -0.759 176.523 177.300 -0.029 0.000 1.345 421 P CA 0.142 63.214 63.100 -0.046 0.000 1.119 421 P CB 0.129 31.806 31.700 -0.038 0.000 1.363 422 Q N 3.019 122.820 119.800 0.001 0.000 2.406 422 Q HA 0.199 4.539 4.340 -0.000 0.000 0.242 422 Q C -0.372 175.642 176.000 0.024 0.000 1.036 422 Q CA -0.151 55.679 55.803 0.045 0.000 0.904 422 Q CB 0.187 28.997 28.738 0.120 0.000 1.244 422 Q HN 0.445 nan 8.270 nan 0.000 0.478 423 c N 2.098 120.703 118.600 0.008 0.000 2.947 423 c HA 0.246 4.816 4.570 -0.000 0.000 0.453 423 c C 0.301 174.380 174.090 -0.018 0.000 1.467 423 c CA -0.379 55.944 56.329 -0.010 0.000 2.442 423 c CB -0.064 42.432 42.510 -0.024 0.000 2.794 423 c HN 0.665 nan 8.230 nan 0.000 0.543 424 E N 1.622 121.810 120.200 -0.019 0.000 2.492 424 E HA -0.001 4.349 4.350 -0.000 0.000 0.266 424 E C -0.193 176.391 176.600 -0.026 0.000 1.047 424 E CA 0.714 57.097 56.400 -0.029 0.000 0.968 424 E CB 0.433 30.120 29.700 -0.022 0.000 0.960 424 E HN 0.772 nan 8.360 nan 0.000 0.452 425 c N 3.023 121.597 118.600 -0.044 0.000 2.492 425 c HA 0.491 5.061 4.570 -0.000 0.000 0.284 425 c C 0.338 174.412 174.090 -0.027 0.000 1.082 425 c CA -1.237 55.069 56.329 -0.037 0.000 1.555 425 c CB -0.347 42.124 42.510 -0.065 0.000 1.798 425 c HN 0.490 nan 8.230 nan 0.000 0.413 426 R N 1.782 122.276 120.500 -0.010 0.000 2.640 426 R HA 0.341 4.681 4.340 -0.000 0.000 0.270 426 R C 0.286 176.589 176.300 0.006 0.000 1.024 426 R CA 0.212 56.310 56.100 -0.003 0.000 1.085 426 R CB 0.364 30.665 30.300 0.002 0.000 0.963 426 R HN 0.923 nan 8.270 nan 0.000 0.426 427 c N 0.275 118.883 118.600 0.013 0.000 3.489 427 c HA 0.236 4.805 4.570 -0.000 0.000 0.408 427 c C 0.409 174.516 174.090 0.029 0.000 1.581 427 c CA -0.151 56.194 56.329 0.026 0.000 2.051 427 c CB 0.427 42.960 42.510 0.039 0.000 2.483 427 c HN 0.837 nan 8.230 nan 0.000 0.495 428 R N 0.623 121.143 120.500 0.035 0.000 2.902 428 R HA 0.491 4.831 4.340 -0.000 0.000 0.264 428 R C -1.989 174.336 176.300 0.042 0.000 1.059 428 R CA -0.219 55.903 56.100 0.037 0.000 0.935 428 R CB 1.315 31.643 30.300 0.046 0.000 1.325 428 R HN 0.559 nan 8.270 nan 0.000 0.438 429 D N -1.280 119.145 120.400 0.043 0.000 2.846 429 D HA 0.033 4.673 4.640 -0.000 0.000 0.273 429 D C -0.416 175.924 176.300 0.066 0.000 1.145 429 D CA -0.621 53.402 54.000 0.039 0.000 1.091 429 D CB 0.154 40.959 40.800 0.008 0.000 1.364 429 D HN 0.510 nan 8.370 nan 0.000 0.613 430 Q N -0.337 119.494 119.800 0.051 0.000 2.201 430 Q HA 0.241 4.581 4.340 -0.000 0.000 0.217 430 Q C 0.330 176.357 176.000 0.045 0.000 0.860 430 Q CA -0.100 55.749 55.803 0.077 0.000 0.984 430 Q CB 0.080 28.869 28.738 0.085 0.000 1.095 430 Q HN 0.367 nan 8.270 nan 0.000 0.477 431 S N 0.081 115.800 115.700 0.032 0.000 2.456 431 S HA 0.062 4.532 4.470 -0.000 0.000 0.224 431 S C 0.980 175.595 174.600 0.026 0.000 1.035 431 S CA -0.145 58.069 58.200 0.023 0.000 0.940 431 S CB 0.008 63.216 63.200 0.015 0.000 0.799 431 S HN 0.296 nan 8.310 nan 0.000 0.508 432 R N 2.720 123.239 120.500 0.031 0.000 2.210 432 R HA 0.298 4.638 4.340 -0.000 0.000 0.338 432 R C -1.246 175.074 176.300 0.034 0.000 1.062 432 R CA 0.100 56.217 56.100 0.030 0.000 0.902 432 R CB -1.426 28.892 30.300 0.030 0.000 1.050 432 R HN 0.154 nan 8.270 nan 0.000 0.461 433 D N 3.621 124.037 120.400 0.027 0.000 3.293 433 D HA -0.140 4.500 4.640 -0.000 0.000 0.252 433 D C -0.210 176.106 176.300 0.027 0.000 1.073 433 D CA 0.557 54.571 54.000 0.023 0.000 0.957 433 D CB -0.445 40.367 40.800 0.020 0.000 0.987 433 D HN 0.759 nan 8.370 nan 0.000 0.422 434 R N -0.005 120.511 120.500 0.026 0.000 2.310 434 R HA 0.040 4.380 4.340 -0.000 0.000 0.202 434 R C 2.028 178.338 176.300 0.017 0.000 0.933 434 R CA 0.810 56.925 56.100 0.025 0.000 1.054 434 R CB 0.231 30.547 30.300 0.026 0.000 0.985 434 R HN 0.443 nan 8.270 nan 0.000 0.489 435 S N 0.843 116.554 115.700 0.018 0.000 2.309 435 S HA -0.017 4.453 4.470 -0.000 0.000 0.206 435 S C 1.123 175.736 174.600 0.021 0.000 1.028 435 S CA 0.087 58.303 58.200 0.027 0.000 0.972 435 S CB -0.485 62.732 63.200 0.027 0.000 0.961 435 S HN 0.080 nan 8.310 nan 0.000 0.449 436 L N 1.151 122.369 121.223 -0.008 0.000 2.503 436 L HA 0.040 4.379 4.340 -0.000 0.000 0.287 436 L C 0.842 177.644 176.870 -0.113 0.000 1.252 436 L CA -0.019 54.778 54.840 -0.071 0.000 0.835 436 L CB -0.399 41.623 42.059 -0.060 0.000 1.099 436 L HN 0.798 nan 8.230 nan 0.000 0.516 437 c N 0.168 118.630 118.600 -0.230 0.000 4.392 437 c HA -0.177 4.393 4.570 -0.000 0.000 0.280 437 c C 1.008 175.001 174.090 -0.162 0.000 1.381 437 c CA 0.350 56.548 56.329 -0.218 0.000 1.871 437 c CB -3.352 39.072 42.510 -0.143 0.000 1.323 437 c HN 1.093 nan 8.230 nan 0.000 0.772 438 H N -1.209 117.821 119.070 -0.067 0.000 2.529 438 H HA -0.132 4.423 4.556 -0.000 0.000 0.319 438 H C 1.516 176.772 175.328 -0.119 0.000 1.072 438 H CA 1.036 57.037 56.048 -0.078 0.000 1.126 438 H CB -1.091 28.628 29.762 -0.072 0.000 1.474 438 H HN 1.509 nan 8.280 nan 0.000 0.406 439 G N -0.237 108.562 108.800 -0.002 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 0.721 175.564 174.900 -0.096 0.000 1.014 439 G CA 0.635 45.714 45.100 -0.035 0.000 0.620 439 G HN 0.353 nan 8.290 nan 0.000 0.530 440 K N 1.595 121.865 120.400 -0.217 0.000 3.000 440 K HA 0.579 4.898 4.320 -0.000 0.000 0.239 440 K C 0.630 177.110 176.600 -0.200 0.000 1.269 440 K CA 0.580 56.649 56.287 -0.362 0.000 1.220 440 K CB 0.250 32.072 32.500 -1.131 0.000 1.645 440 K HN 1.270 nan 8.250 nan 0.000 0.423 441 G N 0.747 109.513 108.800 -0.057 0.000 2.340 441 G HA2 0.296 4.256 3.960 -0.000 0.000 0.298 441 G HA3 0.296 4.256 3.960 -0.000 0.000 0.298 441 G C -1.230 173.701 174.900 0.052 0.000 1.498 441 G CA -1.071 44.022 45.100 -0.012 0.000 0.847 441 G HN 0.127 nan 8.290 nan 0.000 0.594 442 F N -0.822 119.120 119.950 -0.014 0.000 2.525 442 F HA 0.928 5.455 4.527 -0.000 0.000 0.346 442 F C -0.303 175.494 175.800 -0.005 0.000 1.072 442 F CA -1.579 56.415 58.000 -0.010 0.000 1.033 442 F CB 1.676 40.672 39.000 -0.006 0.000 1.324 442 F HN 0.529 nan 8.300 nan 0.000 0.491 443 L N 1.197 122.506 121.223 0.144 0.000 2.362 443 L HA 0.624 4.964 4.340 -0.000 0.000 0.271 443 L C -1.513 175.442 176.870 0.141 0.000 1.002 443 L CA -0.575 54.291 54.840 0.043 0.000 0.818 443 L CB 1.935 44.018 42.059 0.040 0.000 1.298 443 L HN 0.857 nan 8.230 nan 0.000 0.420 444 E N 3.801 124.051 120.200 0.083 0.000 2.432 444 E HA 0.283 4.633 4.350 -0.000 0.000 0.272 444 E C -0.807 175.847 176.600 0.091 0.000 0.937 444 E CA -0.400 56.058 56.400 0.097 0.000 0.812 444 E CB 0.936 30.701 29.700 0.107 0.000 1.377 444 E HN 0.736 nan 8.360 nan 0.000 0.399 445 c N 4.252 122.920 118.600 0.113 0.000 3.896 445 c HA 0.068 4.638 4.570 -0.000 0.000 0.300 445 c C 1.482 175.742 174.090 0.284 0.000 1.322 445 c CA 1.359 57.805 56.329 0.194 0.000 2.130 445 c CB -2.211 40.435 42.510 0.226 0.000 1.363 445 c HN 1.285 nan 8.230 nan 0.000 0.642 446 G N 0.449 109.345 108.800 0.161 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 0.220 175.187 174.900 0.112 0.000 1.648 446 G CA 0.356 45.532 45.100 0.126 0.000 1.154 446 G HN 1.926 nan 8.290 nan 0.000 0.680 447 I N 0.529 121.208 120.570 0.182 0.000 3.205 447 I HA 0.400 4.570 4.170 -0.000 0.000 0.287 447 I C 0.352 176.477 176.117 0.013 0.000 1.266 447 I CA -0.117 61.257 61.300 0.123 0.000 1.378 447 I CB 0.120 38.265 38.000 0.241 0.000 1.347 447 I HN 0.477 nan 8.210 nan 0.000 0.603 448 c N 3.811 122.371 118.600 -0.068 0.000 2.369 448 c HA 0.518 5.088 4.570 -0.000 0.000 0.322 448 c C 0.146 174.052 174.090 -0.306 0.000 1.258 448 c CA -0.712 55.495 56.329 -0.204 0.000 1.487 448 c CB 0.727 43.133 42.510 -0.173 0.000 2.165 448 c HN 0.730 nan 8.230 nan 0.000 0.483 449 R N 1.915 122.035 120.500 -0.633 0.000 2.205 449 R HA 0.432 4.772 4.340 -0.000 0.000 0.342 449 R C -0.242 175.697 176.300 -0.603 0.000 1.058 449 R CA -0.266 55.460 56.100 -0.624 0.000 0.904 449 R CB 0.343 30.218 30.300 -0.708 0.000 1.089 449 R HN 0.751 nan 8.270 nan 0.000 0.471 450 c N 1.698 120.166 118.600 -0.220 0.000 2.640 450 c HA 0.153 4.723 4.570 -0.000 0.000 0.330 450 c C 0.989 175.126 174.090 0.078 0.000 1.416 450 c CA -0.713 55.584 56.329 -0.054 0.000 2.396 450 c CB 0.173 42.711 42.510 0.045 0.000 2.330 450 c HN 0.684 nan 8.230 nan 0.000 0.704 451 D N 0.303 120.816 120.400 0.187 0.000 2.440 451 D HA 0.187 4.827 4.640 -0.000 0.000 0.269 451 D C 1.471 177.869 176.300 0.163 0.000 1.249 451 D CA 0.196 54.328 54.000 0.221 0.000 1.055 451 D CB -0.199 40.782 40.800 0.302 0.000 1.104 451 D HN 0.735 nan 8.370 nan 0.000 0.561 452 T N -2.894 111.735 114.554 0.127 0.000 2.759 452 T HA -0.073 4.277 4.350 -0.000 0.000 0.269 452 T C 1.653 176.371 174.700 0.029 0.000 1.042 452 T CA 1.209 63.351 62.100 0.070 0.000 1.140 452 T CB -0.499 68.399 68.868 0.049 0.000 0.864 452 T HN 0.461 nan 8.240 nan 0.000 0.455 453 G N -0.962 107.836 108.800 -0.003 0.000 3.044 453 G HA2 0.359 4.319 3.960 -0.000 0.000 0.223 453 G HA3 0.359 4.319 3.960 -0.000 0.000 0.223 453 G C -0.239 174.483 174.900 -0.296 0.000 1.123 453 G CA -0.514 44.485 45.100 -0.169 0.000 0.765 453 G HN 0.512 nan 8.290 nan 0.000 0.546 454 Y N 0.197 120.512 120.300 0.026 0.000 2.387 454 Y HA 0.667 5.217 4.550 -0.000 0.000 0.336 454 Y C 0.018 175.923 175.900 0.008 0.000 1.067 454 Y CA -1.060 57.053 58.100 0.021 0.000 1.114 454 Y CB 1.839 40.314 38.460 0.026 0.000 1.208 454 Y HN -0.170 nan 8.280 nan 0.000 0.458 455 I N 1.220 121.882 120.570 0.153 0.000 3.102 455 I HA 0.761 4.931 4.170 -0.000 0.000 0.310 455 I C 0.085 176.240 176.117 0.063 0.000 1.246 455 I CA -0.770 60.576 61.300 0.077 0.000 0.979 455 I CB 1.826 39.851 38.000 0.042 0.000 1.267 455 I HN 0.709 nan 8.210 nan 0.000 0.451 456 G N 3.232 112.049 108.800 0.027 0.000 2.406 456 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.680 456 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.680 456 G C -0.029 174.863 174.900 -0.013 0.000 1.338 456 G CA -0.172 44.936 45.100 0.013 0.000 0.941 456 G HN 0.888 nan 8.290 nan 0.000 0.633 457 K N -0.980 119.408 120.400 -0.020 0.000 2.555 457 K HA 0.117 4.437 4.320 -0.000 0.000 0.193 457 K C 0.588 177.151 176.600 -0.062 0.000 1.032 457 K CA 1.103 57.374 56.287 -0.028 0.000 1.004 457 K CB 0.193 32.684 32.500 -0.015 0.000 0.804 457 K HN 0.241 nan 8.250 nan 0.000 0.496 458 N N 0.510 119.155 118.700 -0.091 0.000 2.475 458 N HA 0.094 4.834 4.740 -0.000 0.000 0.272 458 N C -0.789 174.591 175.510 -0.218 0.000 1.482 458 N CA -0.149 52.790 53.050 -0.185 0.000 0.863 458 N CB 0.619 38.955 38.487 -0.252 0.000 1.400 458 N HN 0.169 nan 8.380 nan 0.000 0.489 459 c N 2.191 120.732 118.600 -0.098 0.000 3.995 459 c HA -0.152 4.417 4.570 -0.000 0.000 0.295 459 c C 2.080 176.202 174.090 0.053 0.000 1.484 459 c CA 1.205 57.520 56.329 -0.023 0.000 2.047 459 c CB -1.740 40.717 42.510 -0.088 0.000 1.292 459 c HN 0.580 nan 8.230 nan 0.000 0.735 460 E N -0.821 119.421 120.200 0.070 0.000 2.170 460 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 460 E C 0.984 177.715 176.600 0.218 0.000 0.981 460 E CA 0.945 57.508 56.400 0.273 0.000 0.830 460 E CB -0.207 29.636 29.700 0.238 0.000 0.775 460 E HN 0.724 nan 8.360 nan 0.000 0.470 461 c N 0.738 119.431 118.600 0.153 0.000 2.365 461 c HA 0.562 5.131 4.570 -0.000 0.000 0.374 461 c C 0.158 174.340 174.090 0.153 0.000 1.318 461 c CA -0.496 55.909 56.329 0.126 0.000 2.239 461 c CB 1.034 43.589 42.510 0.075 0.000 2.144 461 c HN 0.476 nan 8.230 nan 0.000 0.581 462 Q N -0.554 119.290 119.800 0.075 0.000 2.397 462 Q HA 0.322 4.662 4.340 -0.000 0.000 0.275 462 Q C 0.237 176.225 176.000 -0.020 0.000 1.090 462 Q CA -0.186 55.613 55.803 -0.007 0.000 0.809 462 Q CB 1.665 30.353 28.738 -0.084 0.000 1.362 462 Q HN 0.856 nan 8.270 nan 0.000 0.431 463 T N -0.018 114.510 114.554 -0.044 0.000 3.541 463 T HA 0.075 4.425 4.350 -0.000 0.000 0.255 463 T C -0.104 174.582 174.700 -0.023 0.000 1.158 463 T CA 0.380 62.467 62.100 -0.022 0.000 1.000 463 T CB -0.214 68.642 68.868 -0.020 0.000 1.008 463 T HN 0.437 nan 8.240 nan 0.000 0.568 464 Q N 0.662 120.445 119.800 -0.029 0.000 2.292 464 Q HA 0.545 4.885 4.340 -0.000 0.000 0.270 464 Q C 0.023 176.019 176.000 -0.007 0.000 1.024 464 Q CA -0.848 54.944 55.803 -0.019 0.000 0.768 464 Q CB 2.097 30.816 28.738 -0.031 0.000 1.250 464 Q HN 0.477 nan 8.270 nan 0.000 0.447 465 G N 3.151 111.953 108.800 0.003 0.000 2.920 465 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.210 465 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.210 465 G C -0.693 174.213 174.900 0.011 0.000 0.806 465 G CA -0.250 44.854 45.100 0.007 0.000 0.853 465 G HN 0.482 nan 8.290 nan 0.000 0.333 466 R N 0.253 120.762 120.500 0.016 0.000 2.739 466 R HA 0.740 5.080 4.340 -0.000 0.000 0.266 466 R C -0.861 175.451 176.300 0.019 0.000 1.044 466 R CA -0.562 55.548 56.100 0.018 0.000 0.885 466 R CB 1.913 32.225 30.300 0.021 0.000 1.260 466 R HN 0.987 nan 8.270 nan 0.000 0.477 467 S N -0.052 115.659 115.700 0.018 0.000 2.744 467 S HA 0.282 4.752 4.470 -0.000 0.000 0.284 467 S C -1.501 173.108 174.600 0.016 0.000 0.979 467 S CA -0.697 57.513 58.200 0.017 0.000 0.870 467 S CB 1.652 64.863 63.200 0.018 0.000 1.094 467 S HN 0.569 nan 8.310 nan 0.000 0.458 468 S N 0.760 116.469 115.700 0.015 0.000 2.811 468 S HA 0.510 4.980 4.470 -0.000 0.000 0.311 468 S C 0.804 175.412 174.600 0.013 0.000 1.152 468 S CA -0.778 57.430 58.200 0.014 0.000 0.864 468 S CB 1.772 64.980 63.200 0.014 0.000 1.226 468 S HN 0.800 nan 8.310 nan 0.000 0.541 469 Q N 0.799 120.606 119.800 0.011 0.000 1.937 469 Q HA 0.105 4.445 4.340 -0.000 0.000 0.198 469 Q C 0.744 176.751 176.000 0.012 0.000 0.977 469 Q CA 1.332 57.141 55.803 0.011 0.000 0.836 469 Q CB -0.147 28.596 28.738 0.009 0.000 0.899 469 Q HN 0.689 nan 8.270 nan 0.000 0.437 470 E N 0.247 120.453 120.200 0.011 0.000 2.444 470 E HA 0.079 4.429 4.350 -0.000 0.000 0.191 470 E C 1.572 178.179 176.600 0.013 0.000 1.041 470 E CA -0.234 56.173 56.400 0.011 0.000 0.883 470 E CB 0.349 30.054 29.700 0.008 0.000 1.024 470 E HN 0.455 nan 8.360 nan 0.000 0.470 471 L N 0.465 121.696 121.223 0.013 0.000 2.275 471 L HA -0.106 4.233 4.340 -0.000 0.000 0.215 471 L C 1.318 178.198 176.870 0.017 0.000 1.119 471 L CA 1.019 55.866 54.840 0.012 0.000 0.790 471 L CB -0.172 41.894 42.059 0.011 0.000 0.919 471 L HN 0.095 nan 8.230 nan 0.000 0.443 472 E N 0.122 120.335 120.200 0.022 0.000 2.382 472 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 472 E C 1.769 178.395 176.600 0.044 0.000 1.125 472 E CA 0.214 56.634 56.400 0.032 0.000 0.929 472 E CB 0.069 29.786 29.700 0.029 0.000 1.053 472 E HN 0.456 nan 8.360 nan 0.000 0.475 473 G N 0.929 109.751 108.800 0.038 0.000 2.456 473 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.213 473 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.213 473 G C 1.454 176.400 174.900 0.077 0.000 1.215 473 G CA 0.235 45.360 45.100 0.042 0.000 0.805 473 G HN 0.276 nan 8.290 nan 0.000 0.537 474 S N -1.051 114.695 115.700 0.075 0.000 2.671 474 S HA 0.022 4.491 4.470 -0.000 0.000 0.220 474 S C 1.677 176.364 174.600 0.144 0.000 0.951 474 S CA 0.251 58.527 58.200 0.127 0.000 0.932 474 S CB -0.614 62.612 63.200 0.043 0.000 0.777 474 S HN 0.384 nan 8.310 nan 0.000 0.508 475 c N 2.250 120.924 118.600 0.124 0.000 2.618 475 c HA 0.367 4.936 4.570 -0.000 0.000 0.264 475 c C 0.890 175.143 174.090 0.271 0.000 1.334 475 c CA -0.372 56.024 56.329 0.112 0.000 1.731 475 c CB -1.280 41.260 42.510 0.051 0.000 1.852 475 c HN 0.671 nan 8.230 nan 0.000 0.566 476 R N -0.057 120.617 120.500 0.290 0.000 2.575 476 R HA 0.393 4.733 4.340 -0.000 0.000 0.293 476 R C 0.814 177.059 176.300 -0.091 0.000 0.983 476 R CA -0.559 55.636 56.100 0.159 0.000 0.887 476 R CB 0.713 31.038 30.300 0.040 0.000 1.184 476 R HN 0.255 nan 8.270 nan 0.000 0.445 477 K N 0.911 120.882 120.400 -0.716 0.000 2.074 477 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 477 K C -0.332 176.058 176.600 -0.351 0.000 1.048 477 K CA 1.787 57.473 56.287 -1.002 0.000 0.926 477 K CB -0.314 31.595 32.500 -0.985 0.000 0.713 477 K HN 0.792 nan 8.250 nan 0.000 0.444 478 D N -1.904 118.363 120.400 -0.221 0.000 2.610 478 D HA 0.061 4.701 4.640 -0.000 0.000 0.271 478 D C -0.001 176.256 176.300 -0.071 0.000 1.174 478 D CA -0.925 53.005 54.000 -0.116 0.000 0.949 478 D CB 0.455 41.191 40.800 -0.105 0.000 1.430 478 D HN -0.095 nan 8.370 nan 0.000 0.467 479 N N -0.612 118.061 118.700 -0.046 0.000 2.205 479 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 479 N C -0.045 175.448 175.510 -0.029 0.000 1.015 479 N CA 1.063 54.096 53.050 -0.029 0.000 0.862 479 N CB -0.259 38.215 38.487 -0.021 0.000 0.986 479 N HN 0.344 nan 8.380 nan 0.000 0.429 480 N N -0.667 118.011 118.700 -0.037 0.000 2.376 480 N HA 0.079 4.819 4.740 -0.000 0.000 0.249 480 N C -1.087 174.399 175.510 -0.040 0.000 1.140 480 N CA -0.033 52.997 53.050 -0.033 0.000 0.870 480 N CB 0.514 38.983 38.487 -0.029 0.000 1.124 480 N HN 0.046 nan 8.380 nan 0.000 0.505 481 S N 0.003 115.673 115.700 -0.049 0.000 2.532 481 S HA 0.511 4.981 4.470 -0.000 0.000 0.301 481 S C -0.212 174.369 174.600 -0.032 0.000 1.083 481 S CA -0.842 57.325 58.200 -0.056 0.000 1.025 481 S CB 1.058 64.196 63.200 -0.103 0.000 1.056 481 S HN 0.245 nan 8.310 nan 0.000 0.494 482 I N 4.607 125.164 120.570 -0.022 0.000 2.575 482 I HA 0.330 4.499 4.170 -0.000 0.000 0.285 482 I C -0.087 176.035 176.117 0.008 0.000 1.085 482 I CA -0.746 60.551 61.300 -0.005 0.000 1.403 482 I CB 0.463 38.462 38.000 -0.001 0.000 1.409 482 I HN 0.674 nan 8.210 nan 0.000 0.557 483 I N 7.310 127.892 120.570 0.019 0.000 2.821 483 I HA -0.161 4.009 4.170 -0.000 0.000 0.294 483 I C 1.102 177.241 176.117 0.037 0.000 1.210 483 I CA 0.167 61.489 61.300 0.036 0.000 1.430 483 I CB -0.140 37.878 38.000 0.031 0.000 1.356 483 I HN 0.869 nan 8.210 nan 0.000 0.563 484 c N 4.600 123.242 118.600 0.069 0.000 4.297 484 c HA -0.233 4.337 4.570 -0.000 0.000 0.290 484 c C 1.433 175.538 174.090 0.026 0.000 1.444 484 c CA 0.702 57.060 56.329 0.049 0.000 1.982 484 c CB -3.156 39.337 42.510 -0.029 0.000 1.276 484 c HN 1.088 nan 8.230 nan 0.000 0.797 485 S N -1.734 113.987 115.700 0.034 0.000 3.477 485 S HA -0.050 4.420 4.470 -0.000 0.000 0.357 485 S C 1.099 175.698 174.600 -0.003 0.000 1.083 485 S CA 1.347 59.550 58.200 0.006 0.000 1.042 485 S CB -1.591 61.612 63.200 0.005 0.000 0.911 485 S HN 2.608 nan 8.310 nan 0.000 0.490 486 G N 0.384 109.187 108.800 0.005 0.000 2.907 486 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.242 486 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.242 486 G C 0.140 175.039 174.900 -0.002 0.000 1.448 486 G CA -0.284 44.829 45.100 0.022 0.000 0.911 486 G HN 1.529 nan 8.290 nan 0.000 0.553 487 L N -2.167 119.107 121.223 0.086 0.000 3.843 487 L HA -0.090 4.250 4.340 -0.000 0.000 0.411 487 L C 0.998 177.625 176.870 -0.404 0.000 1.205 487 L CA 1.101 56.012 54.840 0.118 0.000 0.945 487 L CB -1.893 40.195 42.059 0.049 0.000 1.929 487 L HN 2.244 nan 8.230 nan 0.000 0.934 488 G N 0.185 108.530 108.800 -0.759 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 -1.298 173.365 174.900 -0.395 0.000 1.420 488 G CA -0.373 44.245 45.100 -0.803 0.000 1.086 488 G HN 0.182 nan 8.290 nan 0.000 0.591 489 D N 0.306 120.553 120.400 -0.255 0.000 2.274 489 D HA 0.432 5.071 4.640 -0.000 0.000 0.239 489 D C 0.428 176.718 176.300 -0.017 0.000 1.104 489 D CA -0.677 53.328 54.000 0.009 0.000 0.840 489 D CB 1.503 42.400 40.800 0.162 0.000 1.100 489 D HN 0.411 nan 8.370 nan 0.000 0.477 490 c N 3.114 121.711 118.600 -0.005 0.000 2.585 490 c HA 0.548 5.118 4.570 -0.000 0.000 0.406 490 c C -0.280 173.812 174.090 0.004 0.000 1.312 490 c CA -0.111 56.214 56.329 -0.008 0.000 1.924 490 c CB -0.820 41.692 42.510 0.003 0.000 2.578 490 c HN 0.502 nan 8.230 nan 0.000 0.580 491 V N 6.324 126.237 119.914 -0.002 0.000 2.569 491 V HA 0.362 4.482 4.120 -0.000 0.000 0.301 491 V C 0.260 176.357 176.094 0.005 0.000 1.044 491 V CA -0.598 61.706 62.300 0.007 0.000 0.874 491 V CB 1.198 33.029 31.823 0.012 0.000 1.002 491 V HN 1.159 nan 8.190 nan 0.000 0.424 492 c N 5.056 123.662 118.600 0.010 0.000 4.209 492 c HA -0.069 4.501 4.570 -0.000 0.000 0.305 492 c C 1.801 175.890 174.090 -0.001 0.000 1.339 492 c CA 1.553 57.888 56.329 0.010 0.000 2.062 492 c CB -1.891 40.628 42.510 0.016 0.000 1.307 492 c HN 2.027 nan 8.230 nan 0.000 0.706 493 G N -0.384 108.414 108.800 -0.003 0.000 2.812 493 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 493 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 493 G C 0.057 174.940 174.900 -0.028 0.000 1.275 493 G CA 1.063 46.157 45.100 -0.010 0.000 0.769 493 G HN 1.124 nan 8.290 nan 0.000 0.527 494 Q N 0.201 119.975 119.800 -0.042 0.000 2.162 494 Q HA 0.703 5.043 4.340 -0.000 0.000 0.197 494 Q C -0.183 175.775 176.000 -0.069 0.000 1.013 494 Q CA -0.421 55.335 55.803 -0.079 0.000 1.040 494 Q CB 1.159 29.852 28.738 -0.075 0.000 1.114 494 Q HN 0.440 nan 8.270 nan 0.000 0.547 495 c N 0.533 119.075 118.600 -0.097 0.000 2.493 495 c HA 0.609 5.179 4.570 -0.000 0.000 0.326 495 c C -0.759 173.285 174.090 -0.077 0.000 1.200 495 c CA -0.744 55.534 56.329 -0.085 0.000 1.739 495 c CB 1.003 43.452 42.510 -0.101 0.000 2.300 495 c HN 0.742 nan 8.230 nan 0.000 0.500 496 L N 3.077 124.254 121.223 -0.076 0.000 2.356 496 L HA 0.471 4.811 4.340 -0.000 0.000 0.264 496 L C -0.135 176.665 176.870 -0.116 0.000 1.029 496 L CA -0.033 54.770 54.840 -0.061 0.000 0.897 496 L CB -0.172 41.876 42.059 -0.018 0.000 1.256 496 L HN 0.870 nan 8.230 nan 0.000 0.444 497 c N 3.222 121.753 118.600 -0.115 0.000 2.563 497 c HA 0.067 4.637 4.570 -0.000 0.000 0.411 497 c C 1.061 175.099 174.090 -0.087 0.000 1.386 497 c CA -0.151 56.084 56.329 -0.157 0.000 1.703 497 c CB -1.311 41.155 42.510 -0.074 0.000 2.596 497 c HN 0.738 nan 8.230 nan 0.000 0.605 498 H N 0.720 119.791 119.070 0.001 0.000 2.730 498 H HA 0.373 4.929 4.556 -0.000 0.000 0.376 498 H C 0.865 176.197 175.328 0.006 0.000 1.299 498 H CA 0.411 56.460 56.048 0.003 0.000 1.447 498 H CB 0.470 30.232 29.762 0.000 0.000 1.493 498 H HN 0.769 nan 8.280 nan 0.000 0.619 499 T N -1.434 113.210 114.554 0.150 0.000 2.888 499 T HA 0.437 4.787 4.350 -0.000 0.000 0.284 499 T C -0.194 174.542 174.700 0.060 0.000 1.017 499 T CA -1.078 61.070 62.100 0.081 0.000 1.022 499 T CB 1.722 70.625 68.868 0.058 0.000 1.013 499 T HN 0.436 nan 8.240 nan 0.000 0.465 500 S N 1.474 117.202 115.700 0.047 0.000 2.605 500 S HA 0.382 4.852 4.470 -0.000 0.000 0.308 500 S C -0.542 174.074 174.600 0.025 0.000 1.113 500 S CA -0.823 57.396 58.200 0.032 0.000 1.049 500 S CB 0.541 63.760 63.200 0.031 0.000 1.001 500 S HN 0.829 nan 8.310 nan 0.000 0.480 501 D N 3.649 124.059 120.400 0.018 0.000 3.032 501 D HA 0.199 4.839 4.640 -0.000 0.000 0.241 501 D C -0.229 176.078 176.300 0.013 0.000 1.196 501 D CA -0.209 53.800 54.000 0.015 0.000 0.927 501 D CB -0.213 40.594 40.800 0.011 0.000 1.129 501 D HN 0.151 nan 8.370 nan 0.000 0.458 502 V N 0.775 120.698 119.914 0.015 0.000 2.531 502 V HA 0.334 4.454 4.120 -0.000 0.000 0.301 502 V C -2.209 173.892 176.094 0.012 0.000 1.034 502 V CA -2.104 60.203 62.300 0.011 0.000 0.865 502 V CB 1.991 33.821 31.823 0.010 0.000 0.995 502 V HN 0.068 nan 8.190 nan 0.000 0.424 503 P HA 0.122 nan 4.420 nan 0.000 0.257 503 P C 1.069 178.373 177.300 0.006 0.000 1.162 503 P CA 1.917 65.022 63.100 0.008 0.000 0.762 503 P CB 0.218 31.922 31.700 0.006 0.000 0.753 504 G N 2.590 111.394 108.800 0.007 0.000 2.812 504 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.219 504 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.219 504 G C 0.387 175.290 174.900 0.006 0.000 1.275 504 G CA 0.271 45.370 45.100 -0.002 0.000 0.769 504 G HN 0.722 nan 8.290 nan 0.000 0.527 505 K N 0.755 121.162 120.400 0.012 0.000 2.543 505 K HA 0.377 4.697 4.320 -0.000 0.000 0.279 505 K C -0.518 176.105 176.600 0.037 0.000 1.001 505 K CA 0.798 57.097 56.287 0.020 0.000 1.088 505 K CB 0.200 32.712 32.500 0.019 0.000 0.863 505 K HN 1.334 nan 8.250 nan 0.000 0.488 506 L N 6.173 127.429 121.223 0.055 0.000 2.751 506 L HA 0.395 4.735 4.340 -0.000 0.000 0.261 506 L C -1.681 175.267 176.870 0.129 0.000 0.927 506 L CA -0.461 54.433 54.840 0.090 0.000 0.968 506 L CB 1.062 43.181 42.059 0.101 0.000 1.432 506 L HN 0.534 nan 8.230 nan 0.000 0.439 507 I N 5.133 125.752 120.570 0.081 0.000 2.577 507 I HA 0.569 4.739 4.170 -0.000 0.000 0.300 507 I C -0.326 175.847 176.117 0.094 0.000 0.990 507 I CA -0.269 61.035 61.300 0.007 0.000 1.283 507 I CB 1.282 39.263 38.000 -0.032 0.000 1.411 507 I HN 0.833 nan 8.210 nan 0.000 0.515 508 Y N 1.167 121.428 120.300 -0.065 0.000 2.702 508 Y HA 0.704 5.254 4.550 -0.000 0.000 0.336 508 Y C -0.474 175.392 175.900 -0.057 0.000 1.203 508 Y CA -0.991 57.053 58.100 -0.094 0.000 1.072 508 Y CB 0.985 39.344 38.460 -0.168 0.000 1.327 508 Y HN 0.966 nan 8.280 nan 0.000 0.456 509 G N 0.902 109.773 108.800 0.118 0.000 2.406 509 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.680 509 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.680 509 G C -0.413 174.457 174.900 -0.049 0.000 1.338 509 G CA -0.277 44.854 45.100 0.052 0.000 0.941 509 G HN 0.901 nan 8.290 nan 0.000 0.633 510 Q N -0.642 119.079 119.800 -0.132 0.000 2.061 510 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 510 Q C 1.303 176.996 176.000 -0.511 0.000 0.984 510 Q CA 2.322 57.875 55.803 -0.416 0.000 0.846 510 Q CB -0.039 28.253 28.738 -0.743 0.000 0.902 510 Q HN 0.694 nan 8.270 nan 0.000 0.421 511 Y N -2.049 118.230 120.300 -0.034 0.000 2.658 511 Y HA 0.272 4.822 4.550 -0.000 0.000 0.276 511 Y C 0.142 175.996 175.900 -0.077 0.000 1.167 511 Y CA -0.930 57.140 58.100 -0.050 0.000 1.230 511 Y CB 0.029 38.465 38.460 -0.040 0.000 1.144 511 Y HN 0.032 nan 8.280 nan 0.000 0.529 512 c N 2.964 121.563 118.600 -0.002 0.000 3.896 512 c HA -0.201 4.369 4.570 -0.000 0.000 0.300 512 c C 1.786 175.831 174.090 -0.076 0.000 1.322 512 c CA 1.086 57.373 56.329 -0.071 0.000 2.130 512 c CB -1.642 40.808 42.510 -0.100 0.000 1.363 512 c HN 0.753 nan 8.230 nan 0.000 0.642 513 E N -1.761 118.391 120.200 -0.080 0.000 2.340 513 E HA 0.068 4.418 4.350 -0.000 0.000 0.198 513 E C 0.639 177.125 176.600 -0.191 0.000 0.961 513 E CA 0.351 56.699 56.400 -0.087 0.000 0.905 513 E CB 0.002 29.690 29.700 -0.020 0.000 0.884 513 E HN 0.682 nan 8.360 nan 0.000 0.491 514 c N 2.910 121.278 118.600 -0.387 0.000 2.405 514 c HA 0.516 5.086 4.570 -0.000 0.000 0.365 514 c C -0.235 173.334 174.090 -0.867 0.000 1.233 514 c CA -0.438 55.510 56.329 -0.635 0.000 2.230 514 c CB 0.552 42.540 42.510 -0.870 0.000 2.443 514 c HN 0.550 nan 8.230 nan 0.000 0.556 515 D N -0.463 119.677 120.400 -0.433 0.000 2.579 515 D HA 0.417 5.057 4.640 -0.000 0.000 0.257 515 D C -0.382 175.988 176.300 0.116 0.000 1.176 515 D CA -0.468 53.452 54.000 -0.133 0.000 0.914 515 D CB 0.717 41.471 40.800 -0.076 0.000 1.431 515 D HN 0.451 nan 8.370 nan 0.000 0.454 516 T N -2.250 112.378 114.554 0.123 0.000 3.256 516 T HA 0.464 4.814 4.350 -0.000 0.000 0.249 516 T C 0.739 175.410 174.700 -0.047 0.000 0.975 516 T CA -0.355 61.739 62.100 -0.010 0.000 1.011 516 T CB -1.088 67.715 68.868 -0.109 0.000 1.127 516 T HN 0.539 nan 8.240 nan 0.000 0.543 517 I N -3.882 116.678 120.570 -0.017 0.000 5.183 517 I HA 0.511 4.681 4.170 -0.000 0.000 0.343 517 I C -0.031 176.084 176.117 -0.004 0.000 1.230 517 I CA -0.232 61.060 61.300 -0.014 0.000 1.473 517 I CB 0.088 38.085 38.000 -0.006 0.000 1.569 517 I HN 0.078 nan 8.210 nan 0.000 0.544 518 N N 1.780 120.480 118.700 -0.000 0.000 3.229 518 N HA 0.447 5.187 4.740 -0.000 0.000 0.275 518 N C -0.893 174.627 175.510 0.017 0.000 1.225 518 N CA -0.097 52.957 53.050 0.006 0.000 1.119 518 N CB 0.118 38.604 38.487 -0.002 0.000 1.392 518 N HN 0.468 nan 8.380 nan 0.000 0.520 519 c N -0.429 118.184 118.600 0.022 0.000 3.292 519 c HA 0.470 5.040 4.570 -0.000 0.000 0.369 519 c C 0.365 174.479 174.090 0.040 0.000 2.360 519 c CA -0.906 55.445 56.329 0.036 0.000 1.526 519 c CB 0.982 43.517 42.510 0.041 0.000 2.784 519 c HN 0.502 nan 8.230 nan 0.000 0.490 520 E N 0.772 121.003 120.200 0.052 0.000 2.283 520 E HA 0.336 4.686 4.350 -0.000 0.000 0.278 520 E C -0.113 176.534 176.600 0.078 0.000 1.027 520 E CA -0.120 56.317 56.400 0.062 0.000 0.843 520 E CB 0.618 30.360 29.700 0.069 0.000 1.062 520 E HN 0.356 nan 8.360 nan 0.000 0.401 521 R N 2.247 122.796 120.500 0.081 0.000 2.517 521 R HA 0.377 4.717 4.340 -0.000 0.000 0.250 521 R C -1.010 175.404 176.300 0.190 0.000 1.213 521 R CA -0.468 55.694 56.100 0.103 0.000 1.146 521 R CB 0.669 31.007 30.300 0.063 0.000 1.279 521 R HN 0.595 nan 8.270 nan 0.000 0.597 522 Y N 0.140 120.453 120.300 0.022 0.000 2.243 522 Y HA 0.020 4.570 4.550 -0.000 0.000 0.315 522 Y C -1.015 174.900 175.900 0.025 0.000 1.286 522 Y CA -0.663 57.454 58.100 0.028 0.000 1.230 522 Y CB 0.703 39.186 38.460 0.039 0.000 1.295 522 Y HN 0.838 nan 8.280 nan 0.000 0.401 523 N N 4.262 122.788 118.700 -0.289 0.000 2.725 523 N HA -0.163 4.576 4.740 -0.000 0.000 0.251 523 N C 0.567 176.078 175.510 0.002 0.000 1.031 523 N CA 2.316 55.280 53.050 -0.145 0.000 0.720 523 N CB -1.108 37.365 38.487 -0.023 0.000 0.930 523 N HN 1.867 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 -0.268 174.656 174.900 0.041 0.000 1.029 524 G CA 0.937 46.046 45.100 0.014 0.000 0.840 524 G HN 0.743 nan 8.290 nan 0.000 0.505 525 Q N -1.521 118.323 119.800 0.074 0.000 2.379 525 Q HA 0.514 4.854 4.340 -0.000 0.000 0.278 525 Q C 0.163 176.210 176.000 0.079 0.000 1.068 525 Q CA -0.863 54.985 55.803 0.075 0.000 0.816 525 Q CB 2.929 31.721 28.738 0.090 0.000 1.387 525 Q HN 0.690 nan 8.270 nan 0.000 0.413 526 V N -1.339 118.603 119.914 0.046 0.000 2.450 526 V HA 0.060 4.180 4.120 -0.000 0.000 0.281 526 V C 0.566 176.679 176.094 0.031 0.000 1.019 526 V CA -0.520 61.800 62.300 0.033 0.000 1.062 526 V CB -0.072 31.755 31.823 0.006 0.000 0.979 526 V HN 1.070 nan 8.190 nan 0.000 0.477 527 c N 3.326 121.953 118.600 0.045 0.000 4.259 527 c HA -0.087 4.483 4.570 -0.000 0.000 0.294 527 c C 1.671 175.761 174.090 0.001 0.000 1.459 527 c CA 1.151 57.498 56.329 0.030 0.000 2.016 527 c CB -2.363 40.152 42.510 0.008 0.000 1.274 527 c HN 2.673 nan 8.230 nan 0.000 0.792 528 G N -1.537 107.289 108.800 0.043 0.000 2.203 528 G HA2 0.403 4.363 3.960 -0.000 0.000 0.231 528 G HA3 0.403 4.363 3.960 -0.000 0.000 0.231 528 G C 0.966 175.865 174.900 -0.000 0.000 1.058 528 G CA 0.533 45.631 45.100 -0.003 0.000 0.781 528 G HN 2.807 nan 8.290 nan 0.000 0.496 529 G N -0.449 108.369 108.800 0.030 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 -0.535 174.363 174.900 -0.003 0.000 1.442 529 G CA 0.319 45.427 45.100 0.015 0.000 0.897 529 G HN 0.846 nan 8.290 nan 0.000 0.550 530 P HA -0.001 nan 4.420 nan 0.000 0.223 530 P C 1.864 179.166 177.300 0.004 0.000 1.151 530 P CA 1.968 65.080 63.100 0.019 0.000 0.787 530 P CB -0.259 31.445 31.700 0.006 0.000 0.788 531 G N 0.917 109.676 108.800 -0.069 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 1.803 176.528 174.900 -0.291 0.000 1.218 531 G CA 0.462 45.455 45.100 -0.178 0.000 0.794 531 G HN 0.169 nan 8.290 nan 0.000 0.542 532 R N 0.145 120.469 120.500 -0.294 0.000 2.082 532 R HA 0.171 4.511 4.340 -0.000 0.000 0.228 532 R C 1.525 177.682 176.300 -0.239 0.000 1.140 532 R CA 1.152 56.908 56.100 -0.575 0.000 0.920 532 R CB -0.467 29.590 30.300 -0.404 0.000 0.828 532 R HN 0.422 nan 8.270 nan 0.000 0.430 533 G N -1.101 107.649 108.800 -0.083 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 -1.529 173.323 174.900 -0.080 0.000 1.334 533 G CA -0.699 44.343 45.100 -0.097 0.000 0.843 533 G HN 0.018 nan 8.290 nan 0.000 0.548 534 L N -1.213 119.965 121.223 -0.075 0.000 2.303 534 L HA 0.629 4.969 4.340 -0.000 0.000 0.256 534 L C -0.841 176.033 176.870 0.007 0.000 1.034 534 L CA -0.939 53.886 54.840 -0.024 0.000 0.832 534 L CB 2.515 44.617 42.059 0.071 0.000 1.403 534 L HN 0.676 nan 8.230 nan 0.000 0.419 535 c N 0.938 119.418 118.600 -0.200 0.000 2.382 535 c HA 0.724 5.294 4.570 -0.000 0.000 0.327 535 c C -1.055 172.751 174.090 -0.474 0.000 1.250 535 c CA -0.522 55.705 56.329 -0.169 0.000 1.707 535 c CB -0.133 42.299 42.510 -0.129 0.000 2.272 535 c HN 0.539 nan 8.230 nan 0.000 0.506 536 F N 4.687 124.710 119.950 0.121 0.000 3.164 536 F HA 0.322 4.849 4.527 -0.000 0.000 0.375 536 F C 0.523 176.456 175.800 0.222 0.000 1.257 536 F CA -0.466 57.658 58.000 0.207 0.000 1.171 536 F CB 0.846 39.934 39.000 0.147 0.000 1.588 536 F HN 0.933 nan 8.300 nan 0.000 0.604 537 c N 2.946 121.760 118.600 0.356 0.000 4.209 537 c HA 0.049 4.619 4.570 -0.000 0.000 0.305 537 c C 1.509 175.678 174.090 0.131 0.000 1.339 537 c CA 1.382 57.827 56.329 0.192 0.000 2.062 537 c CB -1.746 40.903 42.510 0.231 0.000 1.307 537 c HN 1.886 nan 8.230 nan 0.000 0.706 538 G N 0.576 109.437 108.800 0.100 0.000 3.206 538 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 538 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 538 G C 0.198 175.151 174.900 0.088 0.000 1.350 538 G CA 0.554 45.699 45.100 0.074 0.000 0.836 538 G HN 0.873 nan 8.290 nan 0.000 0.548 539 K N 0.625 121.092 120.400 0.113 0.000 2.237 539 K HA 0.494 4.814 4.320 -0.000 0.000 0.270 539 K C -0.221 176.460 176.600 0.136 0.000 1.015 539 K CA -0.100 56.252 56.287 0.109 0.000 0.949 539 K CB 1.114 33.676 32.500 0.103 0.000 0.976 539 K HN 0.309 nan 8.250 nan 0.000 0.472 540 c N 2.553 121.216 118.600 0.104 0.000 2.285 540 c HA 0.274 4.844 4.570 -0.000 0.000 0.335 540 c C 0.468 174.615 174.090 0.095 0.000 1.267 540 c CA -0.777 55.613 56.329 0.103 0.000 1.762 540 c CB -0.398 42.148 42.510 0.060 0.000 2.365 540 c HN 0.702 nan 8.230 nan 0.000 0.527 541 R N 2.377 122.955 120.500 0.131 0.000 2.593 541 R HA 0.243 4.583 4.340 -0.000 0.000 0.282 541 R C -0.401 175.877 176.300 -0.037 0.000 1.300 541 R CA -0.274 55.850 56.100 0.040 0.000 1.221 541 R CB 0.070 30.365 30.300 -0.008 0.000 1.157 541 R HN 0.745 nan 8.270 nan 0.000 0.555 542 c N 2.248 120.836 118.600 -0.020 0.000 2.653 542 c HA 0.053 4.623 4.570 -0.000 0.000 0.421 542 c C 1.167 175.228 174.090 -0.047 0.000 1.334 542 c CA -0.485 55.824 56.329 -0.033 0.000 1.885 542 c CB -0.721 41.828 42.510 0.064 0.000 2.645 542 c HN 0.687 nan 8.230 nan 0.000 0.601 543 H N 2.363 121.394 119.070 -0.065 0.000 2.935 543 H HA 0.127 4.683 4.556 -0.000 0.000 0.376 543 H C -1.957 173.430 175.328 0.098 0.000 1.307 543 H CA 0.276 56.297 56.048 -0.045 0.000 1.442 543 H CB -0.158 29.499 29.762 -0.175 0.000 1.427 543 H HN 0.464 nan 8.280 nan 0.000 0.615 544 P HA 0.033 nan 4.420 nan 0.000 0.267 544 P C 0.548 178.048 177.300 0.334 0.000 1.205 544 P CA 1.257 64.484 63.100 0.213 0.000 0.765 544 P CB 0.618 32.400 31.700 0.136 0.000 0.828 545 G N 1.151 110.077 108.800 0.209 0.000 2.175 545 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 545 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 545 G C -0.340 174.443 174.900 -0.196 0.000 0.982 545 G CA -0.546 44.573 45.100 0.031 0.000 0.641 545 G HN 0.387 nan 8.290 nan 0.000 0.527 546 F N 1.187 121.141 119.950 0.006 0.000 2.561 546 F HA 0.638 5.165 4.527 -0.000 0.000 0.313 546 F C 0.163 175.956 175.800 -0.012 0.000 1.126 546 F CA -0.880 57.113 58.000 -0.011 0.000 0.918 546 F CB 1.798 40.789 39.000 -0.014 0.000 1.199 546 F HN 0.372 nan 8.300 nan 0.000 0.444 547 E N 1.155 121.423 120.200 0.114 0.000 2.431 547 E HA 0.916 5.265 4.350 -0.000 0.000 0.268 547 E C -0.347 176.289 176.600 0.060 0.000 0.953 547 E CA -1.437 55.007 56.400 0.072 0.000 0.810 547 E CB 2.613 32.335 29.700 0.037 0.000 1.369 547 E HN 0.917 nan 8.360 nan 0.000 0.440 548 G N -0.274 108.556 108.800 0.050 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 0.054 0.000 1.309 548 G CA -0.190 44.941 45.100 0.052 0.000 0.931 548 G HN 0.402 nan 8.290 nan 0.000 0.612 549 S N -0.284 115.453 115.700 0.061 0.000 2.370 549 S HA 0.145 4.615 4.470 -0.000 0.000 0.226 549 S C 1.836 176.476 174.600 0.066 0.000 1.033 549 S CA 2.406 60.643 58.200 0.062 0.000 1.011 549 S CB -0.028 63.211 63.200 0.065 0.000 0.852 549 S HN 2.004 nan 8.310 nan 0.000 0.457 550 A N -0.755 122.110 122.820 0.075 0.000 2.663 550 A HA 0.518 4.838 4.320 -0.000 0.000 0.273 550 A C 0.612 178.196 177.584 0.001 0.000 0.932 550 A CA -0.352 51.725 52.037 0.068 0.000 1.055 550 A CB -0.790 18.282 19.000 0.120 0.000 1.206 550 A HN 0.538 nan 8.150 nan 0.000 0.485 551 c N -0.203 118.392 118.600 -0.008 0.000 4.356 551 c HA -0.284 4.286 4.570 -0.000 0.000 0.296 551 c C 2.201 176.174 174.090 -0.195 0.000 1.424 551 c CA 1.357 57.652 56.329 -0.056 0.000 2.000 551 c CB -3.176 39.270 42.510 -0.106 0.000 1.262 551 c HN 0.890 nan 8.230 nan 0.000 0.789 552 Q N -0.492 119.304 119.800 -0.006 0.000 2.016 552 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 552 Q C 1.522 177.634 176.000 0.186 0.000 0.978 552 Q CA 1.665 57.594 55.803 0.209 0.000 0.833 552 Q CB -0.328 28.575 28.738 0.276 0.000 0.895 552 Q HN 0.721 nan 8.270 nan 0.000 0.427 553 c N 2.900 121.561 118.600 0.102 0.000 2.773 553 c HA 0.077 4.646 4.570 -0.000 0.000 0.442 553 c C 1.620 175.724 174.090 0.023 0.000 1.028 553 c CA -0.276 56.093 56.329 0.067 0.000 1.164 553 c CB -1.833 40.703 42.510 0.043 0.000 1.593 553 c HN 0.628 nan 8.230 nan 0.000 0.557 554 E N 2.076 122.291 120.200 0.025 0.000 2.070 554 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 554 E C 0.701 177.191 176.600 -0.183 0.000 1.004 554 E CA 1.181 57.590 56.400 0.014 0.000 0.805 554 E CB 0.229 29.963 29.700 0.058 0.000 0.744 554 E HN 0.696 nan 8.360 nan 0.000 0.451 555 R N -0.402 119.960 120.500 -0.230 0.000 2.514 555 R HA 0.158 4.498 4.340 -0.000 0.000 0.301 555 R C 0.351 176.513 176.300 -0.230 0.000 0.962 555 R CA -0.125 55.741 56.100 -0.391 0.000 0.882 555 R CB 1.583 31.706 30.300 -0.295 0.000 1.143 555 R HN -0.087 nan 8.270 nan 0.000 0.452 556 T N 1.073 115.481 114.554 -0.244 0.000 3.148 556 T HA -0.031 4.319 4.350 -0.000 0.000 0.253 556 T C 0.985 175.621 174.700 -0.107 0.000 1.134 556 T CA 0.600 62.622 62.100 -0.130 0.000 1.051 556 T CB -0.082 68.728 68.868 -0.098 0.000 0.959 556 T HN 0.785 nan 8.240 nan 0.000 0.525 557 T N -0.324 114.150 114.554 -0.133 0.000 2.715 557 T HA 0.311 4.661 4.350 -0.000 0.000 0.320 557 T C -0.015 174.645 174.700 -0.067 0.000 1.046 557 T CA -0.462 61.581 62.100 -0.095 0.000 0.983 557 T CB 0.539 69.344 68.868 -0.105 0.000 1.183 557 T HN 0.264 nan 8.240 nan 0.000 0.522 558 E N -0.584 119.585 120.200 -0.052 0.000 3.117 558 E HA 0.325 4.675 4.350 -0.000 0.000 0.262 558 E C 0.688 177.269 176.600 -0.032 0.000 1.202 558 E CA -0.551 55.827 56.400 -0.037 0.000 0.853 558 E CB 0.526 30.208 29.700 -0.030 0.000 1.426 558 E HN 0.887 nan 8.360 nan 0.000 0.387 559 G N 0.107 108.888 108.800 -0.031 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 1.165 176.054 174.900 -0.017 0.000 1.145 559 G CA 0.185 45.270 45.100 -0.024 0.000 0.791 559 G HN 0.493 nan 8.290 nan 0.000 0.530 560 c N 0.374 118.964 118.600 -0.017 0.000 2.466 560 c HA 0.263 4.833 4.570 -0.000 0.000 0.283 560 c C 1.294 175.376 174.090 -0.014 0.000 1.472 560 c CA -0.735 55.587 56.329 -0.012 0.000 1.765 560 c CB -1.448 41.055 42.510 -0.012 0.000 1.724 560 c HN 0.281 nan 8.230 nan 0.000 0.560 561 L N 2.766 123.979 121.223 -0.017 0.000 2.371 561 L HA 0.260 4.600 4.340 -0.000 0.000 0.272 561 L C 0.311 177.171 176.870 -0.016 0.000 1.124 561 L CA -0.119 54.710 54.840 -0.017 0.000 0.816 561 L CB 0.559 42.606 42.059 -0.019 0.000 1.129 561 L HN 0.386 nan 8.230 nan 0.000 0.448 562 N N 2.897 121.588 118.700 -0.015 0.000 2.566 562 N HA 0.423 5.163 4.740 -0.000 0.000 0.299 562 N C -2.280 173.222 175.510 -0.014 0.000 1.277 562 N CA -1.992 51.050 53.050 -0.014 0.000 0.965 562 N CB -0.541 37.939 38.487 -0.012 0.000 1.142 562 N HN 0.104 nan 8.380 nan 0.000 0.596 563 P HA -0.022 nan 4.420 nan 0.000 0.220 563 P C 0.965 178.258 177.300 -0.011 0.000 1.148 563 P CA 1.145 64.237 63.100 -0.013 0.000 0.803 563 P CB 0.181 31.873 31.700 -0.013 0.000 0.782 564 R N -0.671 119.822 120.500 -0.012 0.000 2.193 564 R HA 0.007 4.346 4.340 -0.000 0.000 0.229 564 R C 0.536 176.829 176.300 -0.011 0.000 1.110 564 R CA 0.544 56.637 56.100 -0.011 0.000 0.988 564 R CB -0.722 29.569 30.300 -0.015 0.000 0.871 564 R HN 0.106 nan 8.270 nan 0.000 0.458 565 R N -0.599 119.894 120.500 -0.012 0.000 3.651 565 R HA -0.122 4.218 4.340 -0.000 0.000 0.292 565 R C -0.539 175.754 176.300 -0.013 0.000 1.161 565 R CA 0.593 56.686 56.100 -0.012 0.000 0.787 565 R CB -2.715 27.580 30.300 -0.008 0.000 1.249 565 R HN 0.214 nan 8.270 nan 0.000 0.476 566 V N 0.431 120.335 119.914 -0.017 0.000 2.487 566 V HA 0.289 4.409 4.120 -0.000 0.000 0.298 566 V C 0.338 176.417 176.094 -0.025 0.000 1.028 566 V CA -0.802 61.485 62.300 -0.021 0.000 0.860 566 V CB 1.746 33.554 31.823 -0.025 0.000 0.991 566 V HN 0.277 nan 8.190 nan 0.000 0.427 567 E N 4.292 124.478 120.200 -0.024 0.000 2.465 567 E HA 0.105 4.455 4.350 -0.000 0.000 0.260 567 E C 0.699 177.281 176.600 -0.030 0.000 0.980 567 E CA 0.459 56.845 56.400 -0.024 0.000 0.927 567 E CB 0.195 29.883 29.700 -0.021 0.000 0.934 567 E HN 0.977 nan 8.360 nan 0.000 0.459 568 c N 3.415 122.000 118.600 -0.026 0.000 4.185 568 c HA -0.279 4.290 4.570 -0.000 0.000 0.297 568 c C 1.505 175.563 174.090 -0.053 0.000 1.463 568 c CA 0.582 56.893 56.329 -0.029 0.000 2.032 568 c CB -3.271 39.224 42.510 -0.025 0.000 1.282 568 c HN 1.046 nan 8.230 nan 0.000 0.770 569 S N -1.011 114.658 115.700 -0.052 0.000 4.150 569 S HA -0.365 4.105 4.470 -0.000 0.000 0.551 569 S C 1.661 176.194 174.600 -0.113 0.000 1.874 569 S CA 2.100 60.258 58.200 -0.072 0.000 4.241 569 S CB -1.552 61.609 63.200 -0.064 0.000 0.292 569 S HN 1.547 nan 8.310 nan 0.000 0.469 570 G N 2.097 110.785 108.800 -0.187 0.000 2.616 570 G HA2 0.150 4.110 3.960 -0.000 0.000 0.215 570 G HA3 0.150 4.110 3.960 -0.000 0.000 0.215 570 G C 0.371 175.145 174.900 -0.211 0.000 1.284 570 G CA 0.958 45.908 45.100 -0.251 0.000 0.823 570 G HN 0.523 nan 8.290 nan 0.000 0.569 571 R N -0.650 119.702 120.500 -0.246 0.000 2.807 571 R HA 0.610 4.950 4.340 -0.000 0.000 0.276 571 R C -0.600 175.660 176.300 -0.066 0.000 0.979 571 R CA 0.062 56.084 56.100 -0.130 0.000 0.928 571 R CB 1.469 31.710 30.300 -0.098 0.000 1.191 571 R HN 0.857 nan 8.270 nan 0.000 0.471 572 G N 2.033 110.821 108.800 -0.020 0.000 2.897 572 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.392 572 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.392 572 G C -0.675 174.224 174.900 -0.002 0.000 1.263 572 G CA -0.905 44.197 45.100 0.004 0.000 1.185 572 G HN 0.558 nan 8.290 nan 0.000 0.573 573 R N 0.855 121.360 120.500 0.008 0.000 2.756 573 R HA 0.351 4.691 4.340 -0.000 0.000 0.264 573 R C 0.422 176.724 176.300 0.003 0.000 1.026 573 R CA 0.272 56.374 56.100 0.004 0.000 1.121 573 R CB 0.516 30.822 30.300 0.010 0.000 0.999 573 R HN 0.746 nan 8.270 nan 0.000 0.449 574 c N 5.931 124.530 118.600 -0.001 0.000 2.116 574 c HA 0.391 4.961 4.570 -0.000 0.000 0.367 574 c C -0.243 173.847 174.090 -0.000 0.000 1.039 574 c CA -0.581 55.747 56.329 -0.003 0.000 1.465 574 c CB -1.259 41.245 42.510 -0.009 0.000 1.783 574 c HN 0.716 nan 8.230 nan 0.000 0.470 575 R N 3.633 124.137 120.500 0.007 0.000 2.229 575 R HA 0.393 4.733 4.340 -0.000 0.000 0.332 575 R C 0.467 176.775 176.300 0.014 0.000 0.989 575 R CA -0.272 55.835 56.100 0.012 0.000 0.842 575 R CB 0.567 30.878 30.300 0.019 0.000 1.119 575 R HN 0.834 nan 8.270 nan 0.000 0.456 576 c N 3.181 121.787 118.600 0.009 0.000 4.424 576 c HA -0.132 4.438 4.570 -0.000 0.000 0.304 576 c C 0.171 174.267 174.090 0.010 0.000 1.344 576 c CA 0.120 56.458 56.329 0.015 0.000 2.033 576 c CB -2.450 40.086 42.510 0.044 0.000 1.264 576 c HN 1.097 nan 8.230 nan 0.000 0.750 577 N N -2.255 116.442 118.700 -0.006 0.000 2.735 577 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 577 N C -0.577 174.935 175.510 0.004 0.000 1.083 577 N CA 1.400 54.446 53.050 -0.007 0.000 0.703 577 N CB -0.721 37.760 38.487 -0.010 0.000 1.005 577 N HN 0.841 nan 8.380 nan 0.000 0.550 578 V N -0.616 119.303 119.914 0.008 0.000 2.888 578 V HA 0.469 4.589 4.120 -0.000 0.000 0.309 578 V C 0.273 176.373 176.094 0.011 0.000 1.114 578 V CA -0.901 61.407 62.300 0.012 0.000 0.940 578 V CB 2.506 34.340 31.823 0.019 0.000 1.021 578 V HN 0.218 nan 8.190 nan 0.000 0.426 579 c N 2.198 120.806 118.600 0.013 0.000 2.366 579 c HA 0.527 5.097 4.570 -0.000 0.000 0.345 579 c C 0.662 174.765 174.090 0.021 0.000 1.209 579 c CA -0.544 55.793 56.329 0.013 0.000 2.050 579 c CB 0.877 43.393 42.510 0.010 0.000 2.359 579 c HN 0.989 nan 8.230 nan 0.000 0.527 580 E N 1.043 121.257 120.200 0.023 0.000 2.490 580 E HA 0.246 4.596 4.350 -0.000 0.000 0.232 580 E C -0.611 176.017 176.600 0.047 0.000 1.091 580 E CA -0.355 56.065 56.400 0.033 0.000 1.050 580 E CB 0.100 29.819 29.700 0.032 0.000 1.342 580 E HN 0.809 nan 8.360 nan 0.000 0.454 581 c N 3.288 121.920 118.600 0.054 0.000 2.590 581 c HA -0.001 4.569 4.570 -0.000 0.000 0.411 581 c C 1.003 175.164 174.090 0.119 0.000 1.420 581 c CA -0.531 55.847 56.329 0.081 0.000 1.643 581 c CB -0.997 41.591 42.510 0.129 0.000 2.528 581 c HN 0.612 nan 8.230 nan 0.000 0.606 582 H N 2.342 121.436 119.070 0.040 0.000 2.745 582 H HA 0.165 4.720 4.556 -0.000 0.000 0.373 582 H C 1.089 176.530 175.328 0.189 0.000 1.226 582 H CA 1.871 57.965 56.048 0.075 0.000 1.435 582 H CB 0.822 30.604 29.762 0.033 0.000 1.461 582 H HN 0.969 nan 8.280 nan 0.000 0.616 583 S N 1.119 116.582 115.700 -0.395 0.000 3.469 583 S HA -0.275 4.195 4.470 -0.000 0.000 0.628 583 S C 1.303 175.913 174.600 0.016 0.000 2.687 583 S CA 1.290 59.441 58.200 -0.081 0.000 3.829 583 S CB -1.527 61.823 63.200 0.250 0.000 0.258 583 S HN 1.035 nan 8.310 nan 0.000 1.222 584 G N -0.311 108.501 108.800 0.019 0.000 3.284 584 G HA2 0.373 4.333 3.960 -0.000 0.000 0.236 584 G HA3 0.373 4.333 3.960 -0.000 0.000 0.236 584 G C -0.084 174.793 174.900 -0.038 0.000 1.158 584 G CA -0.018 45.063 45.100 -0.031 0.000 0.774 584 G HN 0.553 nan 8.290 nan 0.000 0.545 585 Y N 1.512 121.821 120.300 0.015 0.000 2.717 585 Y HA 0.102 4.651 4.550 -0.000 0.000 0.330 585 Y C 1.139 177.046 175.900 0.010 0.000 1.217 585 Y CA 0.279 58.391 58.100 0.020 0.000 1.506 585 Y CB 0.590 39.070 38.460 0.034 0.000 1.268 585 Y HN 0.098 nan 8.280 nan 0.000 0.561 586 Q N 1.928 121.805 119.800 0.129 0.000 2.252 586 Q HA 0.431 4.771 4.340 -0.000 0.000 0.256 586 Q C -0.706 175.338 176.000 0.074 0.000 1.020 586 Q CA -1.084 54.763 55.803 0.072 0.000 0.913 586 Q CB 1.733 30.489 28.738 0.030 0.000 1.286 586 Q HN 0.486 nan 8.270 nan 0.000 0.480 587 L N 1.425 122.675 121.223 0.046 0.000 2.468 587 L HA 0.207 4.547 4.340 -0.000 0.000 0.254 587 L C -1.220 175.668 176.870 0.030 0.000 1.171 587 L CA -0.786 54.076 54.840 0.037 0.000 0.809 587 L CB -0.523 41.551 42.059 0.025 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 0.982 178.294 177.300 0.020 0.000 1.159 588 P CA 0.786 63.897 63.100 0.019 0.000 0.824 588 P CB 0.430 32.136 31.700 0.011 0.000 0.833 589 L N -0.998 120.237 121.223 0.021 0.000 2.728 589 L HA 0.240 4.580 4.340 -0.000 0.000 0.238 589 L C -0.302 176.580 176.870 0.019 0.000 1.143 589 L CA -0.288 54.560 54.840 0.013 0.000 0.937 589 L CB -0.474 41.588 42.059 0.005 0.000 1.225 589 L HN -0.101 nan 8.230 nan 0.000 0.507 590 c N 1.669 120.299 118.600 0.051 0.000 3.547 590 c HA -0.118 4.452 4.570 -0.000 0.000 0.299 590 c C 1.538 175.695 174.090 0.112 0.000 1.148 590 c CA 0.684 57.067 56.329 0.090 0.000 2.364 590 c CB -1.956 40.562 42.510 0.015 0.000 1.453 590 c HN 0.788 nan 8.230 nan 0.000 0.549 591 Q N -0.189 119.725 119.800 0.191 0.000 2.577 591 Q HA 0.184 4.524 4.340 -0.000 0.000 0.242 591 Q C 0.198 176.367 176.000 0.281 0.000 0.818 591 Q CA 0.581 56.509 55.803 0.208 0.000 0.962 591 Q CB 0.348 29.140 28.738 0.090 0.000 1.272 591 Q HN 0.837 nan 8.270 nan 0.000 0.593 592 E N 1.108 121.400 120.200 0.153 0.000 2.115 592 E HA 0.302 4.652 4.350 -0.000 0.000 0.282 592 E C -1.127 175.428 176.600 -0.075 0.000 0.987 592 E CA -0.396 56.025 56.400 0.035 0.000 0.797 592 E CB 1.535 31.246 29.700 0.018 0.000 1.086 592 E HN 0.263 nan 8.360 nan 0.000 0.397 593 C N 7.135 126.257 119.300 -0.296 0.000 2.116 593 C HA 0.302 4.762 4.460 -0.000 0.000 0.367 593 C C -1.329 173.545 174.990 -0.194 0.000 1.039 593 C CA -2.199 56.585 59.018 -0.389 0.000 1.465 593 C CB -0.803 26.460 27.740 -0.796 0.000 1.783 593 C HN 0.659 nan 8.230 nan 0.000 0.470 594 P HA -0.046 nan 4.420 nan 0.000 0.216 594 P C 1.529 178.792 177.300 -0.061 0.000 1.150 594 P CA 1.790 64.851 63.100 -0.065 0.000 0.843 594 P CB 0.057 31.731 31.700 -0.042 0.000 0.787 595 G N -1.953 106.805 108.800 -0.069 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 0.373 175.243 174.900 -0.050 0.000 1.150 595 G CA -0.125 44.944 45.100 -0.051 0.000 0.785 595 G HN 0.275 nan 8.290 nan 0.000 0.535 596 C N 0.845 120.099 119.300 -0.078 0.000 2.703 596 C HA 0.215 4.675 4.460 -0.000 0.000 0.411 596 C C 0.040 175.016 174.990 -0.023 0.000 1.290 596 C CA -0.716 58.267 59.018 -0.060 0.000 2.054 596 C CB 1.486 29.163 27.740 -0.105 0.000 2.732 596 C HN 0.319 nan 8.230 nan 0.000 0.650 597 P HA -0.012 nan 4.420 nan 0.000 0.217 597 P C 0.428 177.737 177.300 0.016 0.000 1.151 597 P CA 0.989 64.097 63.100 0.015 0.000 0.828 597 P CB 0.064 31.785 31.700 0.034 0.000 0.788 598 S N -1.002 114.711 115.700 0.022 0.000 4.051 598 S HA -0.028 4.442 4.470 -0.000 0.000 0.447 598 S C -2.320 172.287 174.600 0.010 0.000 0.867 598 S CA -0.354 57.853 58.200 0.012 0.000 1.246 598 S CB -1.427 61.774 63.200 0.002 0.000 0.825 598 S HN 0.115 nan 8.310 nan 0.000 0.579 599 P HA 0.318 nan 4.420 nan 0.000 0.271 599 P C 0.465 177.817 177.300 0.087 0.000 1.233 599 P CA -0.316 62.855 63.100 0.118 0.000 0.764 599 P CB 0.882 32.732 31.700 0.249 0.000 0.825 600 c N 2.573 121.269 118.600 0.159 0.000 2.820 600 c HA 0.245 4.815 4.570 -0.000 0.000 0.323 600 c C 1.639 175.941 174.090 0.353 0.000 1.279 600 c CA 0.523 56.984 56.329 0.220 0.000 1.790 600 c CB -0.264 42.336 42.510 0.149 0.000 2.328 600 c HN 0.689 nan 8.230 nan 0.000 0.579 601 G N 0.249 109.195 108.800 0.243 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 0.447 175.407 174.900 0.101 0.000 1.266 601 G CA 0.351 45.543 45.100 0.152 0.000 0.847 601 G HN 0.629 nan 8.290 nan 0.000 0.583 602 K N -0.182 120.209 120.400 -0.016 0.000 3.529 602 K HA -0.263 4.056 4.320 -0.000 0.000 0.313 602 K C 0.836 177.245 176.600 -0.317 0.000 1.316 602 K CA 1.934 58.112 56.287 -0.181 0.000 0.988 602 K CB -1.155 31.171 32.500 -0.291 0.000 1.252 602 K HN 0.604 nan 8.250 nan 0.000 0.438 603 Y N -0.580 119.709 120.300 -0.018 0.000 2.498 603 Y HA 0.191 4.741 4.550 -0.000 0.000 0.259 603 Y C 2.112 177.955 175.900 -0.095 0.000 1.086 603 Y CA -0.183 57.872 58.100 -0.075 0.000 1.287 603 Y CB 0.355 38.752 38.460 -0.106 0.000 1.146 603 Y HN -0.030 nan 8.280 nan 0.000 0.523 604 I N -0.443 120.196 120.570 0.115 0.000 2.208 604 I HA -0.320 3.849 4.170 -0.000 0.000 0.245 604 I C 2.539 178.673 176.117 0.029 0.000 1.097 604 I CA 1.600 62.942 61.300 0.069 0.000 1.363 604 I CB -1.265 36.802 38.000 0.113 0.000 1.051 604 I HN 0.187 nan 8.210 nan 0.000 0.413 605 S N -0.095 115.646 115.700 0.069 0.000 2.383 605 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 605 S C 2.122 176.673 174.600 -0.082 0.000 1.030 605 S CA 1.794 60.056 58.200 0.103 0.000 1.002 605 S CB -0.184 63.134 63.200 0.196 0.000 0.829 605 S HN 0.542 nan 8.310 nan 0.000 0.467 606 c N 0.923 119.480 118.600 -0.072 0.000 2.634 606 c HA 0.535 5.105 4.570 -0.000 0.000 0.268 606 c C 2.882 176.905 174.090 -0.111 0.000 1.322 606 c CA -0.168 56.105 56.329 -0.094 0.000 1.737 606 c CB -1.180 41.297 42.510 -0.055 0.000 1.976 606 c HN 0.717 nan 8.230 nan 0.000 0.547 607 A N 1.846 124.578 122.820 -0.146 0.000 1.929 607 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 607 A C 2.053 179.570 177.584 -0.112 0.000 1.176 607 A CA 1.547 53.453 52.037 -0.218 0.000 0.628 607 A CB -0.491 18.234 19.000 -0.458 0.000 0.816 607 A HN 0.794 nan 8.150 nan 0.000 0.444 608 E N -1.465 118.668 120.200 -0.111 0.000 2.489 608 E HA 0.000 4.350 4.350 -0.000 0.000 0.193 608 E C 1.307 177.851 176.600 -0.093 0.000 1.057 608 E CA 0.655 57.012 56.400 -0.071 0.000 0.866 608 E CB -0.415 29.208 29.700 -0.127 0.000 0.916 608 E HN 0.442 nan 8.360 nan 0.000 0.500 609 c N 0.140 118.660 118.600 -0.135 0.000 2.799 609 c HA 0.368 4.938 4.570 -0.000 0.000 0.267 609 c C 1.608 175.652 174.090 -0.076 0.000 1.257 609 c CA -0.178 56.063 56.329 -0.146 0.000 1.702 609 c CB -0.832 41.566 42.510 -0.187 0.000 1.934 609 c HN 0.548 nan 8.230 nan 0.000 0.594 610 L N -0.149 121.047 121.223 -0.046 0.000 2.675 610 L HA 0.271 4.611 4.340 -0.000 0.000 0.178 610 L C 2.318 179.174 176.870 -0.023 0.000 1.135 610 L CA 0.291 55.111 54.840 -0.033 0.000 0.855 610 L CB -0.884 41.155 42.059 -0.035 0.000 1.235 610 L HN -0.041 nan 8.230 nan 0.000 0.499 611 K N 1.060 121.461 120.400 0.001 0.000 1.974 611 K HA 0.003 4.323 4.320 -0.000 0.000 0.211 611 K C 0.446 177.005 176.600 -0.068 0.000 1.039 611 K CA 1.308 57.574 56.287 -0.034 0.000 0.947 611 K CB -0.561 31.948 32.500 0.015 0.000 0.735 611 K HN -0.150 nan 8.250 nan 0.000 0.441 612 F N 1.724 121.626 119.950 -0.079 0.000 2.403 612 F HA 0.223 4.750 4.527 -0.000 0.000 0.320 612 F C 0.777 176.530 175.800 -0.077 0.000 1.176 612 F CA -0.161 57.801 58.000 -0.063 0.000 1.206 612 F CB 0.480 39.450 39.000 -0.050 0.000 1.235 612 F HN 0.054 nan 8.300 nan 0.000 0.565 613 E N 1.476 121.740 120.200 0.108 0.000 2.969 613 E HA 0.084 4.434 4.350 -0.000 0.000 0.213 613 E C -0.333 176.275 176.600 0.012 0.000 1.107 613 E CA -0.097 56.315 56.400 0.020 0.000 1.007 613 E CB 0.730 30.427 29.700 -0.005 0.000 1.326 613 E HN 0.494 nan 8.360 nan 0.000 0.432 614 K N 0.559 120.946 120.400 -0.022 0.000 2.965 614 K HA 0.265 4.585 4.320 -0.000 0.000 0.216 614 K C 0.000 176.488 176.600 -0.187 0.000 1.164 614 K CA -0.016 56.248 56.287 -0.037 0.000 1.153 614 K CB 0.116 32.619 32.500 0.005 0.000 1.045 614 K HN 0.488 nan 8.250 nan 0.000 0.460 615 G N 3.150 111.828 108.800 -0.204 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 -2.703 171.843 174.900 -0.590 0.000 1.046 615 G CA -0.965 43.981 45.100 -0.256 0.000 0.933 615 G HN 0.210 nan 8.290 nan 0.000 0.424 616 P HA 0.077 nan 4.420 nan 0.000 0.256 616 P C 0.868 178.071 177.300 -0.162 0.000 1.189 616 P CA 0.331 63.259 63.100 -0.286 0.000 0.808 616 P CB 0.036 31.658 31.700 -0.130 0.000 0.793 617 F N 2.399 122.336 119.950 -0.022 0.000 2.025 617 F HA -0.055 4.472 4.527 -0.000 0.000 0.291 617 F C 2.810 178.596 175.800 -0.022 0.000 1.150 617 F CA 1.113 59.099 58.000 -0.024 0.000 1.166 617 F CB -1.124 37.858 39.000 -0.030 0.000 0.995 617 F HN 0.278 nan 8.300 nan 0.000 0.474 618 G N -0.258 108.655 108.800 0.189 0.000 2.469 618 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 618 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 618 G C 1.068 176.001 174.900 0.056 0.000 1.150 618 G CA 1.437 46.590 45.100 0.089 0.000 0.763 618 G HN 0.303 nan 8.290 nan 0.000 0.561 619 K N -2.019 118.406 120.400 0.041 0.000 3.157 619 K HA 0.265 4.585 4.320 -0.000 0.000 0.309 619 K C 0.143 176.748 176.600 0.008 0.000 1.183 619 K CA -0.575 55.725 56.287 0.021 0.000 1.198 619 K CB 0.117 32.623 32.500 0.010 0.000 3.317 619 K HN 0.093 nan 8.250 nan 0.000 1.071 620 N N -0.634 118.063 118.700 -0.006 0.000 3.040 620 N HA 0.482 5.222 4.740 -0.000 0.000 0.339 620 N C -1.073 174.415 175.510 -0.036 0.000 1.387 620 N CA -0.516 52.520 53.050 -0.023 0.000 0.745 620 N CB 1.175 39.651 38.487 -0.018 0.000 1.237 620 N HN 0.404 nan 8.380 nan 0.000 0.565 621 c N -1.893 116.683 118.600 -0.040 0.000 3.235 621 c HA 0.565 5.134 4.570 -0.000 0.000 0.351 621 c C 0.219 174.295 174.090 -0.023 0.000 1.520 621 c CA -0.139 56.165 56.329 -0.040 0.000 1.474 621 c CB 0.944 43.416 42.510 -0.063 0.000 2.019 621 c HN 0.827 nan 8.230 nan 0.000 0.446 622 S N -0.993 114.698 115.700 -0.016 0.000 3.261 622 S HA -0.224 4.246 4.470 -0.000 0.000 0.287 622 S C 0.314 174.914 174.600 -0.000 0.000 1.281 622 S CA 1.358 59.556 58.200 -0.004 0.000 1.053 622 S CB -1.646 61.551 63.200 -0.005 0.000 1.251 622 S HN 1.319 nan 8.310 nan 0.000 0.659 623 A N -0.415 122.403 122.820 -0.004 0.000 1.780 623 A HA 0.787 5.107 4.320 -0.000 0.000 0.208 623 A C 1.423 179.006 177.584 -0.001 0.000 1.761 623 A CA 0.801 52.837 52.037 -0.001 0.000 1.183 623 A CB -0.414 18.584 19.000 -0.003 0.000 1.162 623 A HN 1.225 nan 8.150 nan 0.000 0.472 624 A N -1.131 121.684 122.820 -0.009 0.000 2.379 624 A HA 0.440 4.760 4.320 -0.000 0.000 0.236 624 A C 0.358 177.931 177.584 -0.019 0.000 1.272 624 A CA 0.623 52.651 52.037 -0.014 0.000 0.886 624 A CB -0.844 18.146 19.000 -0.017 0.000 0.962 624 A HN 0.651 nan 8.150 nan 0.000 0.504 625 c N 0.279 118.876 118.600 -0.004 0.000 3.421 625 c HA 0.278 4.848 4.570 -0.000 0.000 0.194 625 c C -1.933 172.180 174.090 0.039 0.000 1.418 625 c CA -0.790 55.544 56.329 0.009 0.000 1.226 625 c CB 0.374 42.878 42.510 -0.011 0.000 1.875 625 c HN 0.445 nan 8.230 nan 0.000 0.561 626 P HA 0.027 nan 4.420 nan 0.000 0.259 626 P C 1.002 178.370 177.300 0.114 0.000 1.307 626 P CA 0.862 64.004 63.100 0.070 0.000 0.768 626 P CB -0.140 31.599 31.700 0.065 0.000 1.199 627 G N 0.879 109.765 108.800 0.144 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 0.924 175.891 174.900 0.113 0.000 0.835 627 G CA -0.322 44.890 45.100 0.187 0.000 2.001 627 G HN 0.133 nan 8.290 nan 0.000 0.625 628 L N 0.126 121.401 121.223 0.087 0.000 2.127 628 L HA 0.001 4.341 4.340 -0.000 0.000 0.211 628 L C 1.606 178.506 176.870 0.050 0.000 1.089 628 L CA 1.462 56.335 54.840 0.055 0.000 0.757 628 L CB -0.276 41.809 42.059 0.044 0.000 0.899 628 L HN 0.429 nan 8.230 nan 0.000 0.434 629 Q N -0.627 119.212 119.800 0.064 0.000 2.235 629 Q HA 0.401 4.741 4.340 -0.000 0.000 0.250 629 Q C -0.904 175.135 176.000 0.066 0.000 0.909 629 Q CA -0.324 55.515 55.803 0.060 0.000 0.910 629 Q CB 1.894 30.669 28.738 0.062 0.000 1.223 629 Q HN 0.112 nan 8.270 nan 0.000 0.432 630 L N 2.139 123.398 121.223 0.060 0.000 2.574 630 L HA 0.169 4.508 4.340 -0.000 0.000 0.258 630 L C -0.591 176.336 176.870 0.095 0.000 1.520 630 L CA -0.076 54.804 54.840 0.067 0.000 0.775 630 L CB 0.973 43.051 42.059 0.032 0.000 1.028 630 L HN 0.659 nan 8.230 nan 0.000 0.516 631 S N -0.242 115.524 115.700 0.111 0.000 2.573 631 S HA 0.041 4.511 4.470 -0.000 0.000 0.297 631 S C 0.523 175.230 174.600 0.178 0.000 1.280 631 S CA -0.093 58.175 58.200 0.113 0.000 1.061 631 S CB 0.188 63.442 63.200 0.089 0.000 0.812 631 S HN 0.524 nan 8.310 nan 0.000 0.500 632 N N 3.871 122.655 118.700 0.140 0.000 3.243 632 N HA 0.261 5.001 4.740 -0.000 0.000 0.310 632 N C -0.753 174.811 175.510 0.090 0.000 1.313 632 N CA 0.002 53.159 53.050 0.179 0.000 1.204 632 N CB -0.750 37.804 38.487 0.112 0.000 1.483 632 N HN 0.528 nan 8.380 nan 0.000 0.553 633 N N -0.264 118.451 118.700 0.025 0.000 2.591 633 N HA 0.308 5.048 4.740 -0.000 0.000 0.263 633 N C -2.850 172.463 175.510 -0.328 0.000 1.308 633 N CA -1.153 51.816 53.050 -0.134 0.000 0.837 633 N CB 1.959 40.419 38.487 -0.045 0.000 1.548 633 N HN -0.120 nan 8.380 nan 0.000 0.493 634 P HA 0.067 nan 4.420 nan 0.000 0.235 634 P C 0.158 177.385 177.300 -0.123 0.000 1.765 634 P CA -0.197 62.725 63.100 -0.297 0.000 1.034 634 P CB -0.222 31.355 31.700 -0.205 0.000 1.984 635 V N -0.715 119.163 119.914 -0.061 0.000 3.133 635 V HA 0.455 4.575 4.120 -0.000 0.000 0.305 635 V C 0.382 176.497 176.094 0.035 0.000 1.084 635 V CA -0.148 62.160 62.300 0.013 0.000 1.089 635 V CB 0.955 32.815 31.823 0.061 0.000 1.073 635 V HN 0.190 nan 8.190 nan 0.000 0.477 636 K N 0.068 120.494 120.400 0.042 0.000 2.454 636 K HA 0.704 5.024 4.320 -0.000 0.000 0.279 636 K C 0.369 176.996 176.600 0.046 0.000 1.020 636 K CA -0.399 55.914 56.287 0.044 0.000 0.850 636 K CB 1.558 34.070 32.500 0.020 0.000 1.529 636 K HN 1.164 nan 8.250 nan 0.000 0.390 637 G N 0.452 109.274 108.800 0.036 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 -0.605 174.314 174.900 0.031 0.000 1.977 637 G CA -0.600 44.520 45.100 0.032 0.000 1.541 637 G HN 0.285 nan 8.290 nan 0.000 0.567 638 R N 2.455 122.983 120.500 0.046 0.000 4.138 638 R HA 0.320 4.660 4.340 -0.000 0.000 0.206 638 R C 0.329 176.642 176.300 0.022 0.000 1.667 638 R CA 0.433 56.554 56.100 0.036 0.000 1.481 638 R CB -0.290 30.042 30.300 0.055 0.000 1.388 638 R HN 0.406 nan 8.270 nan 0.000 0.776 639 T N 1.101 115.659 114.554 0.006 0.000 2.761 639 T HA -0.030 4.320 4.350 -0.000 0.000 0.262 639 T C 0.325 174.986 174.700 -0.065 0.000 0.968 639 T CA 0.100 62.191 62.100 -0.015 0.000 1.235 639 T CB -0.611 68.248 68.868 -0.015 0.000 0.925 639 T HN 0.442 nan 8.240 nan 0.000 0.545 640 c N 5.445 123.968 118.600 -0.128 0.000 2.358 640 c HA 0.811 5.381 4.570 -0.000 0.000 0.354 640 c C -0.155 173.664 174.090 -0.451 0.000 1.183 640 c CA -0.744 55.427 56.329 -0.263 0.000 2.150 640 c CB 0.714 43.060 42.510 -0.273 0.000 2.361 640 c HN 1.040 nan 8.230 nan 0.000 0.535 641 K N 3.642 123.816 120.400 -0.377 0.000 2.805 641 K HA 0.276 4.596 4.320 -0.000 0.000 0.276 641 K C -0.838 175.711 176.600 -0.085 0.000 1.209 641 K CA -0.119 55.996 56.287 -0.287 0.000 1.065 641 K CB 0.277 32.694 32.500 -0.139 0.000 1.363 641 K HN 0.806 nan 8.250 nan 0.000 0.546 642 E N 1.513 121.669 120.200 -0.073 0.000 2.518 642 E HA 0.493 4.842 4.350 -0.000 0.000 0.241 642 E C -0.121 176.554 176.600 0.126 0.000 0.899 642 E CA -0.782 55.679 56.400 0.101 0.000 0.888 642 E CB 1.060 30.818 29.700 0.097 0.000 1.426 642 E HN 0.442 nan 8.360 nan 0.000 0.401 643 R N 0.476 120.980 120.500 0.005 0.000 2.606 643 R HA 0.255 4.595 4.340 -0.000 0.000 0.249 643 R C 0.200 176.454 176.300 -0.075 0.000 1.127 643 R CA -0.588 55.412 56.100 -0.168 0.000 1.133 643 R CB 0.315 30.361 30.300 -0.425 0.000 1.243 643 R HN 0.563 nan 8.270 nan 0.000 0.558 644 D N -1.076 119.243 120.400 -0.135 0.000 2.560 644 D HA 0.018 4.658 4.640 -0.000 0.000 0.277 644 D C 0.782 177.054 176.300 -0.047 0.000 1.194 644 D CA -0.388 53.564 54.000 -0.080 0.000 1.092 644 D CB -0.163 40.556 40.800 -0.135 0.000 1.169 644 D HN 0.398 nan 8.370 nan 0.000 0.607 645 S N -1.612 114.104 115.700 0.025 0.000 2.428 645 S HA -0.048 4.422 4.470 -0.000 0.000 0.230 645 S C 0.450 175.015 174.600 -0.059 0.000 1.014 645 S CA 0.465 58.687 58.200 0.036 0.000 0.957 645 S CB -0.435 62.928 63.200 0.272 0.000 0.784 645 S HN 0.571 nan 8.310 nan 0.000 0.499 646 E N 0.235 120.397 120.200 -0.065 0.000 3.117 646 E HA 0.459 4.809 4.350 -0.000 0.000 0.262 646 E C 0.371 176.898 176.600 -0.122 0.000 1.202 646 E CA -0.108 56.240 56.400 -0.087 0.000 0.853 646 E CB 0.862 30.533 29.700 -0.049 0.000 1.426 646 E HN 0.373 nan 8.360 nan 0.000 0.387 647 G N 1.132 109.817 108.800 -0.192 0.000 3.586 647 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.212 647 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.212 647 G C 0.546 175.216 174.900 -0.383 0.000 1.411 647 G CA -0.162 44.780 45.100 -0.264 0.000 0.898 647 G HN 0.532 nan 8.290 nan 0.000 0.575 648 c N 2.627 121.091 118.600 -0.227 0.000 2.648 648 c HA 0.357 4.927 4.570 -0.000 0.000 0.419 648 c C 0.919 174.912 174.090 -0.161 0.000 1.352 648 c CA -0.512 55.732 56.329 -0.141 0.000 1.816 648 c CB -0.814 41.659 42.510 -0.062 0.000 2.598 648 c HN 0.338 nan 8.230 nan 0.000 0.598 649 W N 4.337 125.617 121.300 -0.034 0.000 2.659 649 W HA 0.301 4.961 4.660 -0.000 0.000 0.342 649 W C -0.436 176.059 176.519 -0.040 0.000 1.287 649 W CA -0.007 57.319 57.345 -0.032 0.000 1.460 649 W CB 0.217 29.662 29.460 -0.026 0.000 1.503 649 W HN 0.387 nan 8.180 nan 0.000 0.483 650 V N 4.690 124.673 119.914 0.115 0.000 2.385 650 V HA 0.342 4.462 4.120 -0.000 0.000 0.269 650 V C 0.718 176.905 176.094 0.155 0.000 1.043 650 V CA -0.678 61.673 62.300 0.084 0.000 0.906 650 V CB 0.444 32.264 31.823 -0.006 0.000 0.995 650 V HN 0.502 nan 8.190 nan 0.000 0.467 651 A N 5.911 128.808 122.820 0.129 0.000 2.286 651 A HA 0.919 5.239 4.320 -0.000 0.000 0.286 651 A C -0.712 176.961 177.584 0.149 0.000 1.097 651 A CA -0.321 51.729 52.037 0.022 0.000 0.821 651 A CB 0.590 19.622 19.000 0.052 0.000 1.076 651 A HN 1.409 nan 8.150 nan 0.000 0.490 652 Y N -1.674 118.671 120.300 0.075 0.000 2.365 652 Y HA 0.450 5.000 4.550 -0.000 0.000 0.324 652 Y C -0.156 175.792 175.900 0.079 0.000 1.330 652 Y CA -0.596 57.553 58.100 0.081 0.000 1.271 652 Y CB -0.240 38.245 38.460 0.042 0.000 1.306 652 Y HN 0.917 nan 8.280 nan 0.000 0.451 653 T N 0.712 115.425 114.554 0.266 0.000 2.770 653 T HA 0.670 5.020 4.350 -0.000 0.000 0.281 653 T C -0.942 173.905 174.700 0.245 0.000 0.981 653 T CA -0.520 61.692 62.100 0.185 0.000 0.955 653 T CB 1.678 70.636 68.868 0.151 0.000 1.060 653 T HN 1.077 nan 8.240 nan 0.000 0.531 654 L N 0.888 122.211 121.223 0.165 0.000 2.549 654 L HA 0.397 4.736 4.340 -0.000 0.000 0.260 654 L C -0.513 176.458 176.870 0.168 0.000 1.109 654 L CA -0.285 54.648 54.840 0.155 0.000 0.900 654 L CB 1.064 43.172 42.059 0.082 0.000 1.119 654 L HN 0.966 nan 8.230 nan 0.000 0.471 655 E N 3.309 123.609 120.200 0.166 0.000 1.941 655 E HA 0.160 4.510 4.350 -0.000 0.000 0.275 655 E C -0.214 176.477 176.600 0.151 0.000 1.113 655 E CA -0.224 56.257 56.400 0.136 0.000 0.878 655 E CB 0.636 30.391 29.700 0.093 0.000 1.070 655 E HN 0.674 nan 8.360 nan 0.000 0.399 656 Q N 3.204 123.092 119.800 0.146 0.000 2.474 656 Q HA -0.003 4.337 4.340 -0.000 0.000 0.256 656 Q C -0.805 175.141 176.000 -0.091 0.000 1.048 656 Q CA 0.233 55.987 55.803 -0.081 0.000 0.922 656 Q CB 0.722 29.364 28.738 -0.159 0.000 1.288 656 Q HN 0.441 nan 8.270 nan 0.000 0.484 657 Q N 2.213 121.906 119.800 -0.178 0.000 2.280 657 Q HA 0.217 4.557 4.340 -0.000 0.000 0.259 657 Q C -1.055 174.876 176.000 -0.114 0.000 0.964 657 Q CA -0.259 55.487 55.803 -0.096 0.000 0.844 657 Q CB 1.738 30.447 28.738 -0.049 0.000 1.334 657 Q HN 0.876 nan 8.270 nan 0.000 0.423 658 D N 0.816 121.167 120.400 -0.081 0.000 4.100 658 D HA -0.221 4.419 4.640 -0.000 0.000 0.138 658 D C 0.438 176.665 176.300 -0.122 0.000 0.819 658 D CA 2.019 55.968 54.000 -0.084 0.000 1.117 658 D CB -0.983 39.778 40.800 -0.065 0.000 0.537 658 D HN 0.710 nan 8.370 nan 0.000 0.539 659 G N -0.324 108.408 108.800 -0.113 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 0.976 175.806 174.900 -0.118 0.000 1.177 659 G CA 0.456 45.484 45.100 -0.120 0.000 0.841 659 G HN 0.419 nan 8.290 nan 0.000 0.527 660 M N 0.530 120.062 119.600 -0.113 0.000 7.319 660 M HA -0.225 4.255 4.480 -0.000 0.000 0.284 660 M C 0.198 176.486 176.300 -0.021 0.000 0.480 660 M CA 1.621 56.890 55.300 -0.051 0.000 1.311 660 M CB -1.264 31.320 32.600 -0.027 0.000 0.421 660 M HN 0.508 nan 8.290 nan 0.000 0.895 661 D N 2.347 122.782 120.400 0.058 0.000 3.110 661 D HA 0.237 4.877 4.640 -0.000 0.000 0.254 661 D C -0.054 176.333 176.300 0.143 0.000 1.283 661 D CA 0.179 54.300 54.000 0.201 0.000 0.944 661 D CB -0.034 40.945 40.800 0.298 0.000 1.066 661 D HN 0.162 nan 8.370 nan 0.000 0.496 662 R N 1.023 121.432 120.500 -0.151 0.000 2.407 662 R HA 0.552 4.892 4.340 -0.000 0.000 0.303 662 R C -0.510 175.563 176.300 -0.378 0.000 0.981 662 R CA -0.484 55.547 56.100 -0.115 0.000 0.905 662 R CB 1.245 31.484 30.300 -0.102 0.000 1.099 662 R HN 0.125 nan 8.270 nan 0.000 0.459 663 Y N 0.557 120.886 120.300 0.049 0.000 2.818 663 Y HA 0.560 5.110 4.550 -0.000 0.000 0.322 663 Y C -0.780 175.142 175.900 0.037 0.000 1.323 663 Y CA -1.141 56.982 58.100 0.039 0.000 1.090 663 Y CB 1.653 40.131 38.460 0.030 0.000 1.328 663 Y HN 0.395 nan 8.280 nan 0.000 0.482 664 L N 1.956 123.324 121.223 0.242 0.000 2.661 664 L HA 0.674 5.014 4.340 -0.000 0.000 0.263 664 L C -2.280 174.682 176.870 0.153 0.000 0.956 664 L CA -0.147 54.783 54.840 0.150 0.000 0.918 664 L CB 0.858 42.981 42.059 0.106 0.000 1.280 664 L HN 0.447 nan 8.230 nan 0.000 0.416 665 I N 4.420 125.068 120.570 0.130 0.000 2.740 665 I HA 0.493 4.663 4.170 -0.000 0.000 0.303 665 I C -1.276 174.952 176.117 0.186 0.000 1.044 665 I CA -0.579 60.801 61.300 0.133 0.000 1.064 665 I CB 1.985 40.007 38.000 0.036 0.000 1.249 665 I HN 0.583 nan 8.210 nan 0.000 0.433 666 Y N 4.983 125.340 120.300 0.095 0.000 2.426 666 Y HA 0.654 5.204 4.550 -0.000 0.000 0.325 666 Y C -1.169 174.820 175.900 0.149 0.000 0.989 666 Y CA -0.979 57.178 58.100 0.096 0.000 1.284 666 Y CB 1.141 39.650 38.460 0.082 0.000 1.104 666 Y HN 0.313 nan 8.280 nan 0.000 0.481 667 V N 5.858 125.591 119.914 -0.301 0.000 2.427 667 V HA 0.045 4.165 4.120 -0.000 0.000 0.268 667 V C 0.260 176.141 176.094 -0.355 0.000 1.046 667 V CA -0.457 61.765 62.300 -0.130 0.000 0.970 667 V CB 0.462 32.297 31.823 0.019 0.000 1.001 667 V HN 0.754 nan 8.190 nan 0.000 0.476 668 D N 4.653 124.994 120.400 -0.098 0.000 2.571 668 D HA -0.098 4.542 4.640 -0.000 0.000 0.231 668 D C 0.939 177.284 176.300 0.074 0.000 1.133 668 D CA 0.118 54.118 54.000 0.001 0.000 0.862 668 D CB 0.737 41.639 40.800 0.169 0.000 1.179 668 D HN 0.815 nan 8.370 nan 0.000 0.474 669 E N 1.578 121.794 120.200 0.027 0.000 1.999 669 E HA 0.236 4.586 4.350 -0.000 0.000 0.296 669 E C -0.510 176.178 176.600 0.147 0.000 1.187 669 E CA -0.552 55.863 56.400 0.025 0.000 1.229 669 E CB -0.205 29.485 29.700 -0.016 0.000 1.131 669 E HN 0.155 nan 8.360 nan 0.000 0.478 670 S N 1.655 117.540 115.700 0.308 0.000 2.597 670 S HA 0.484 4.954 4.470 -0.000 0.000 0.274 670 S C -1.432 173.326 174.600 0.262 0.000 1.132 670 S CA -0.857 57.494 58.200 0.251 0.000 0.835 670 S CB 1.355 64.653 63.200 0.163 0.000 1.092 670 S HN 0.494 nan 8.310 nan 0.000 0.457 671 R N 0.596 121.205 120.500 0.181 0.000 2.810 671 R HA 0.622 4.962 4.340 -0.000 0.000 0.266 671 R C -1.492 174.890 176.300 0.138 0.000 1.061 671 R CA -0.928 55.241 56.100 0.116 0.000 0.943 671 R CB 1.797 32.133 30.300 0.059 0.000 1.237 671 R HN 0.690 nan 8.270 nan 0.000 0.459 672 E N 0.431 120.731 120.200 0.167 0.000 2.649 672 E HA 0.183 4.533 4.350 -0.000 0.000 0.310 672 E C -1.086 175.668 176.600 0.255 0.000 1.036 672 E CA -0.224 56.316 56.400 0.235 0.000 0.772 672 E CB 1.314 31.210 29.700 0.327 0.000 1.513 672 E HN 0.433 nan 8.360 nan 0.000 0.384 673 c N 2.277 120.963 118.600 0.144 0.000 2.525 673 c HA 0.141 4.711 4.570 -0.000 0.000 0.313 673 c C 1.462 175.620 174.090 0.114 0.000 1.311 673 c CA -0.245 56.135 56.329 0.085 0.000 1.725 673 c CB -0.965 41.569 42.510 0.039 0.000 1.926 673 c HN 0.614 nan 8.230 nan 0.000 0.595 674 V N 0.000 120.030 119.914 0.194 0.000 2.409 674 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 674 V CA 0.000 62.398 62.300 0.164 0.000 1.235 674 V CB 0.000 31.933 31.823 0.183 0.000 1.184 674 V HN 0.000 nan 8.190 nan 0.000 0.556