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 3k71_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 REc 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 0.012 0.000 1.022 1 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 2 E N 0.176 120.382 120.200 0.010 0.000 2.481 2 E HA 0.534 4.884 4.350 -0.000 0.000 0.301 2 E C -1.637 174.966 176.600 0.005 0.000 0.948 2 E CA -0.675 55.730 56.400 0.008 0.000 0.804 2 E CB 1.710 31.412 29.700 0.003 0.000 1.265 2 E HN 0.286 nan 8.360 nan 0.000 0.406 3 c N 3.034 121.639 118.600 0.009 0.000 3.096 3 c HA 0.352 4.922 4.570 -0.000 0.000 0.391 3 c C -0.971 173.131 174.090 0.020 0.000 1.085 3 c CA 0.010 56.344 56.329 0.009 0.000 1.289 3 c CB 0.302 42.826 42.510 0.023 0.000 1.685 3 c HN 0.794 nan 8.230 nan 0.000 0.515 4 T N 5.050 119.605 114.554 0.002 0.000 2.837 4 T HA 0.343 4.693 4.350 -0.000 0.000 0.285 4 T C -0.186 174.535 174.700 0.035 0.000 0.984 4 T CA -0.312 61.804 62.100 0.028 0.000 1.049 4 T CB 1.061 69.939 68.868 0.017 0.000 0.947 4 T HN 0.650 nan 8.240 nan 0.000 0.472 5 K N 2.586 123.043 120.400 0.095 0.000 2.349 5 K HA 0.288 4.608 4.320 -0.000 0.000 0.289 5 K C -0.345 176.323 176.600 0.114 0.000 1.064 5 K CA -0.357 55.999 56.287 0.114 0.000 0.947 5 K CB 0.448 33.029 32.500 0.136 0.000 1.007 5 K HN 0.467 nan 8.250 nan 0.000 0.478 6 F N 2.377 122.264 119.950 -0.105 0.000 2.348 6 F HA 0.161 4.688 4.527 -0.000 0.000 0.308 6 F C 0.685 176.407 175.800 -0.131 0.000 1.175 6 F CA -0.798 57.071 58.000 -0.218 0.000 1.080 6 F CB 0.636 39.504 39.000 -0.220 0.000 1.341 6 F HN 0.290 nan 8.300 nan 0.000 0.518 7 K N 2.064 121.768 120.400 -1.160 0.000 2.366 7 K HA 0.141 4.461 4.320 -0.000 0.000 0.272 7 K C -1.434 175.124 176.600 -0.070 0.000 1.151 7 K CA 0.033 55.996 56.287 -0.540 0.000 1.173 7 K CB -0.392 31.710 32.500 -0.663 0.000 0.853 7 K HN 0.432 nan 8.250 nan 0.000 0.473 8 V N 4.575 124.494 119.914 0.008 0.000 2.304 8 V HA 0.040 4.160 4.120 -0.000 0.000 0.269 8 V C 0.817 176.953 176.094 0.071 0.000 1.036 8 V CA -0.134 62.219 62.300 0.088 0.000 0.840 8 V CB 0.878 32.809 31.823 0.180 0.000 1.036 8 V HN 0.883 nan 8.190 nan 0.000 0.466 9 S N 3.317 119.031 115.700 0.024 0.000 2.514 9 S HA 0.168 4.638 4.470 -0.000 0.000 0.223 9 S C 0.915 175.494 174.600 -0.035 0.000 1.046 9 S CA 0.600 58.806 58.200 0.010 0.000 0.914 9 S CB 0.327 63.528 63.200 0.001 0.000 0.807 9 S HN 0.871 nan 8.310 nan 0.000 0.497 10 S N -0.368 115.237 115.700 -0.159 0.000 2.840 10 S HA 0.319 4.789 4.470 -0.000 0.000 0.307 10 S C 1.277 175.328 174.600 -0.916 0.000 1.180 10 S CA -0.124 57.856 58.200 -0.368 0.000 0.846 10 S CB 0.469 63.528 63.200 -0.236 0.000 1.233 10 S HN 0.597 nan 8.310 nan 0.000 0.548 11 c N 0.084 117.936 118.600 -1.247 0.000 2.446 11 c HA 0.230 4.800 4.570 -0.000 0.000 0.279 11 c C 2.580 176.245 174.090 -0.709 0.000 1.366 11 c CA 0.982 56.275 56.329 -1.727 0.000 1.763 11 c CB -1.634 39.987 42.510 -1.482 0.000 1.929 11 c HN 0.969 nan 8.230 nan 0.000 0.509 12 R N 1.298 121.539 120.500 -0.432 0.000 2.073 12 R HA -0.047 4.293 4.340 -0.000 0.000 0.229 12 R C 2.237 178.443 176.300 -0.156 0.000 1.120 12 R CA 1.608 57.574 56.100 -0.223 0.000 0.967 12 R CB -0.356 29.855 30.300 -0.149 0.000 0.862 12 R HN 0.645 nan 8.270 nan 0.000 0.436 13 E N -0.296 119.816 120.200 -0.148 0.000 2.409 13 E HA -0.172 4.177 4.350 -0.000 0.000 0.198 13 E C 1.838 178.443 176.600 0.010 0.000 1.024 13 E CA 0.676 57.058 56.400 -0.029 0.000 0.861 13 E CB -0.016 29.696 29.700 0.021 0.000 0.788 13 E HN 0.406 nan 8.360 nan 0.000 0.521 14 c N 0.460 119.031 118.600 -0.049 0.000 2.485 14 c HA 0.027 4.597 4.570 -0.000 0.000 0.278 14 c C 2.280 176.392 174.090 0.036 0.000 1.356 14 c CA -0.095 56.278 56.329 0.073 0.000 1.747 14 c CB -0.533 42.130 42.510 0.254 0.000 2.001 14 c HN 0.284 nan 8.230 nan 0.000 0.501 15 I N 1.352 121.905 120.570 -0.029 0.000 2.315 15 I HA -0.060 4.110 4.170 -0.000 0.000 0.248 15 I C 2.183 178.270 176.117 -0.050 0.000 1.117 15 I CA 1.435 62.717 61.300 -0.031 0.000 1.404 15 I CB -1.528 36.439 38.000 -0.055 0.000 1.071 15 I HN 0.485 nan 8.210 nan 0.000 0.419 16 E N 0.274 120.433 120.200 -0.069 0.000 2.485 16 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 16 E C 1.712 178.214 176.600 -0.163 0.000 1.098 16 E CA 0.060 56.389 56.400 -0.117 0.000 0.878 16 E CB 0.100 29.719 29.700 -0.134 0.000 0.939 16 E HN 0.332 nan 8.360 nan 0.000 0.503 17 S N -0.297 115.343 115.700 -0.099 0.000 2.441 17 S HA 0.212 4.682 4.470 -0.000 0.000 0.224 17 S C 0.728 175.241 174.600 -0.144 0.000 1.043 17 S CA 0.441 58.572 58.200 -0.115 0.000 0.948 17 S CB 0.946 64.138 63.200 -0.014 0.000 0.810 17 S HN 0.413 nan 8.310 nan 0.000 0.504 18 G N 0.506 109.250 108.800 -0.093 0.000 2.316 18 G HA2 0.344 4.303 3.960 -0.000 0.000 0.296 18 G HA3 0.344 4.303 3.960 -0.000 0.000 0.296 18 G C -2.904 171.970 174.900 -0.043 0.000 1.399 18 G CA -0.775 44.276 45.100 -0.082 0.000 0.833 18 G HN -0.154 nan 8.290 nan 0.000 0.565 19 P HA 0.038 nan 4.420 nan 0.000 0.215 19 P C 1.797 179.095 177.300 -0.004 0.000 1.157 19 P CA 1.832 64.922 63.100 -0.016 0.000 0.868 19 P CB 0.132 31.824 31.700 -0.013 0.000 0.788 20 G N -1.566 107.231 108.800 -0.005 0.000 3.279 20 G HA2 0.040 4.000 3.960 -0.000 0.000 0.230 20 G HA3 0.040 4.000 3.960 -0.000 0.000 0.230 20 G C -0.190 174.717 174.900 0.012 0.000 1.230 20 G CA -0.123 44.979 45.100 0.005 0.000 0.891 20 G HN 0.272 nan 8.290 nan 0.000 0.518 21 c N 1.491 120.100 118.600 0.015 0.000 2.273 21 c HA 0.709 5.279 4.570 -0.000 0.000 0.328 21 c C 0.763 174.888 174.090 0.058 0.000 1.275 21 c CA -0.678 55.673 56.329 0.037 0.000 1.704 21 c CB 0.113 42.643 42.510 0.035 0.000 2.326 21 c HN 0.515 nan 8.230 nan 0.000 0.517 22 T N 0.678 115.274 114.554 0.070 0.000 2.942 22 T HA 0.690 5.040 4.350 -0.000 0.000 0.289 22 T C -0.930 173.865 174.700 0.158 0.000 1.044 22 T CA -0.622 61.532 62.100 0.089 0.000 1.023 22 T CB 1.918 70.807 68.868 0.036 0.000 1.123 22 T HN 0.823 nan 8.240 nan 0.000 0.512 23 W N 0.858 122.123 121.300 -0.058 0.000 2.915 23 W HA 0.602 5.262 4.660 -0.000 0.000 0.337 23 W C -1.594 174.854 176.519 -0.120 0.000 1.102 23 W CA -1.418 55.880 57.345 -0.078 0.000 1.224 23 W CB 2.009 31.437 29.460 -0.054 0.000 1.416 23 W HN 0.963 nan 8.180 nan 0.000 0.503 24 c N 6.259 124.303 118.600 -0.926 0.000 2.351 24 c HA 0.286 4.855 4.570 -0.000 0.000 0.326 24 c C 1.223 174.888 174.090 -0.709 0.000 1.272 24 c CA -0.187 55.704 56.329 -0.730 0.000 1.650 24 c CB 0.820 42.776 42.510 -0.924 0.000 2.257 24 c HN 0.797 nan 8.230 nan 0.000 0.505 25 Q N 3.236 122.894 119.800 -0.238 0.000 2.396 25 Q HA 0.105 4.445 4.340 -0.000 0.000 0.209 25 Q C 0.588 176.551 176.000 -0.063 0.000 0.906 25 Q CA 0.027 55.820 55.803 -0.016 0.000 0.927 25 Q CB 0.070 28.872 28.738 0.106 0.000 1.069 25 Q HN 0.715 nan 8.270 nan 0.000 0.523 26 K N 1.985 122.305 120.400 -0.133 0.000 2.437 26 K HA 0.039 4.359 4.320 -0.000 0.000 0.277 26 K C -0.384 176.216 176.600 0.000 0.000 1.073 26 K CA -0.130 56.124 56.287 -0.055 0.000 1.105 26 K CB 0.320 32.790 32.500 -0.051 0.000 0.881 26 K HN 0.187 nan 8.250 nan 0.000 0.475 27 L N 3.756 124.998 121.223 0.032 0.000 2.468 27 L HA -0.073 4.267 4.340 -0.000 0.000 0.253 27 L C 0.889 177.807 176.870 0.079 0.000 1.237 27 L CA -0.024 54.846 54.840 0.050 0.000 0.823 27 L CB 0.082 42.161 42.059 0.035 0.000 1.124 27 L HN 0.925 nan 8.230 nan 0.000 0.504 28 N N -0.454 118.281 118.700 0.059 0.000 2.681 28 N HA -0.309 4.431 4.740 -0.000 0.000 0.250 28 N C 0.284 175.831 175.510 0.060 0.000 1.133 28 N CA 1.251 54.325 53.050 0.041 0.000 0.732 28 N CB -1.436 37.065 38.487 0.024 0.000 1.107 28 N HN 0.560 nan 8.380 nan 0.000 0.559 29 F N 0.577 120.491 119.950 -0.059 0.000 2.569 29 F HA 0.124 4.651 4.527 -0.000 0.000 0.295 29 F C 0.783 176.539 175.800 -0.074 0.000 1.115 29 F CA 0.628 58.583 58.000 -0.075 0.000 1.450 29 F CB 0.426 39.359 39.000 -0.111 0.000 1.107 29 F HN -0.147 nan 8.300 nan 0.000 0.563 30 T N 1.714 116.290 114.554 0.036 0.000 2.779 30 T HA 0.395 4.745 4.350 -0.000 0.000 0.296 30 T C 0.728 175.376 174.700 -0.086 0.000 0.938 30 T CA 0.013 62.095 62.100 -0.031 0.000 1.119 30 T CB 0.637 69.513 68.868 0.013 0.000 0.891 30 T HN 0.331 nan 8.240 nan 0.000 0.526 31 G N 3.965 112.690 108.800 -0.124 0.000 2.712 31 G HA2 0.211 4.171 3.960 -0.000 0.000 0.258 31 G HA3 0.211 4.171 3.960 -0.000 0.000 0.258 31 G C -1.195 173.669 174.900 -0.060 0.000 1.241 31 G CA -1.230 43.808 45.100 -0.104 0.000 0.923 31 G HN 0.410 nan 8.290 nan 0.000 0.548 32 P HA -0.079 nan 4.420 nan 0.000 0.217 32 P C 1.006 178.292 177.300 -0.024 0.000 1.158 32 P CA 2.160 65.242 63.100 -0.030 0.000 0.887 32 P CB 0.137 31.822 31.700 -0.025 0.000 0.792 33 G N -1.259 107.526 108.800 -0.025 0.000 4.632 33 G HA2 0.172 4.132 3.960 -0.000 0.000 0.244 33 G HA3 0.172 4.132 3.960 -0.000 0.000 0.244 33 G C -1.178 173.706 174.900 -0.027 0.000 1.070 33 G CA -0.217 44.871 45.100 -0.021 0.000 0.791 33 G HN -0.038 nan 8.290 nan 0.000 0.544 34 D N 1.190 121.568 120.400 -0.036 0.000 2.217 34 D HA 0.479 5.119 4.640 -0.000 0.000 0.248 34 D C -2.225 174.049 176.300 -0.042 0.000 1.008 34 D CA -1.413 52.562 54.000 -0.040 0.000 0.914 34 D CB 2.107 42.875 40.800 -0.054 0.000 1.182 34 D HN 0.034 nan 8.370 nan 0.000 0.451 35 P HA 0.094 nan 4.420 nan 0.000 0.270 35 P C 0.249 177.543 177.300 -0.009 0.000 1.223 35 P CA -0.155 62.910 63.100 -0.058 0.000 0.785 35 P CB 0.753 32.400 31.700 -0.088 0.000 0.923 36 D N -0.347 120.059 120.400 0.010 0.000 2.323 36 D HA -0.080 4.560 4.640 -0.000 0.000 0.209 36 D C 1.532 177.872 176.300 0.066 0.000 0.973 36 D CA 0.973 55.002 54.000 0.049 0.000 0.874 36 D CB -0.213 40.638 40.800 0.085 0.000 0.930 36 D HN 0.366 nan 8.370 nan 0.000 0.521 37 S N 0.583 116.322 115.700 0.065 0.000 2.555 37 S HA -0.070 4.400 4.470 -0.000 0.000 0.230 37 S C 2.109 176.741 174.600 0.053 0.000 0.978 37 S CA -0.011 58.247 58.200 0.097 0.000 0.934 37 S CB -0.750 62.498 63.200 0.080 0.000 0.766 37 S HN 0.500 nan 8.310 nan 0.000 0.533 38 I N -0.879 119.707 120.570 0.027 0.000 2.676 38 I HA 0.046 4.216 4.170 -0.000 0.000 0.259 38 I C 2.227 178.341 176.117 -0.005 0.000 1.194 38 I CA 0.524 61.853 61.300 0.048 0.000 1.473 38 I CB -0.353 37.699 38.000 0.086 0.000 1.096 38 I HN 0.093 nan 8.210 nan 0.000 0.443 39 R N 0.573 120.954 120.500 -0.199 0.000 2.237 39 R HA -0.004 4.336 4.340 -0.000 0.000 0.219 39 R C 0.778 176.715 176.300 -0.605 0.000 1.080 39 R CA 0.731 56.447 56.100 -0.641 0.000 0.995 39 R CB -0.349 29.225 30.300 -1.211 0.000 0.875 39 R HN 0.449 nan 8.270 nan 0.000 0.462 40 c N 1.772 120.246 118.600 -0.210 0.000 2.184 40 c HA 0.305 4.875 4.570 -0.000 0.000 0.328 40 c C -0.455 173.659 174.090 0.040 0.000 1.081 40 c CA -0.820 55.540 56.329 0.052 0.000 1.533 40 c CB -0.868 41.827 42.510 0.308 0.000 1.905 40 c HN 0.287 nan 8.230 nan 0.000 0.439 41 D N 1.567 121.968 120.400 0.000 0.000 2.831 41 D HA 0.531 5.171 4.640 -0.000 0.000 0.240 41 D C -0.029 176.282 176.300 0.018 0.000 1.183 41 D CA 0.209 54.221 54.000 0.019 0.000 1.079 41 D CB 1.863 42.671 40.800 0.014 0.000 1.262 41 D HN 0.506 nan 8.370 nan 0.000 0.634 42 T N -1.748 112.816 114.554 0.016 0.000 2.922 42 T HA 0.333 4.683 4.350 -0.000 0.000 0.285 42 T C 1.190 175.892 174.700 0.004 0.000 1.005 42 T CA -0.523 61.586 62.100 0.014 0.000 1.061 42 T CB 1.727 70.604 68.868 0.016 0.000 1.007 42 T HN 0.432 nan 8.240 nan 0.000 0.502 43 R N 1.306 121.808 120.500 0.003 0.000 2.113 43 R HA -0.092 4.248 4.340 -0.000 0.000 0.244 43 R C -0.926 175.373 176.300 -0.001 0.000 1.142 43 R CA 1.795 57.892 56.100 -0.004 0.000 0.953 43 R CB -1.505 28.796 30.300 0.001 0.000 0.860 43 R HN 0.534 nan 8.270 nan 0.000 0.438 44 P HA -0.147 nan 4.420 nan 0.000 0.215 44 P C 0.950 178.258 177.300 0.014 0.000 1.157 44 P CA 1.184 64.290 63.100 0.010 0.000 0.868 44 P CB -0.084 31.623 31.700 0.011 0.000 0.788 45 Q N -0.596 119.214 119.800 0.017 0.000 2.124 45 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 45 Q C 2.310 178.333 176.000 0.038 0.000 0.977 45 Q CA 1.218 57.037 55.803 0.027 0.000 0.850 45 Q CB -1.052 27.704 28.738 0.029 0.000 0.901 45 Q HN 0.358 nan 8.270 nan 0.000 0.429 46 L N 0.071 121.303 121.223 0.016 0.000 2.046 46 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 46 L C 2.403 179.294 176.870 0.035 0.000 1.077 46 L CA 0.935 55.776 54.840 0.003 0.000 0.747 46 L CB -0.511 41.500 42.059 -0.079 0.000 0.896 46 L HN 0.189 nan 8.230 nan 0.000 0.432 47 L N -1.044 120.191 121.223 0.020 0.000 2.109 47 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 47 L C 2.570 179.462 176.870 0.037 0.000 1.086 47 L CA 1.024 55.879 54.840 0.025 0.000 0.760 47 L CB -0.334 41.733 42.059 0.013 0.000 0.910 47 L HN 0.346 nan 8.230 nan 0.000 0.437 48 M N -0.396 119.225 119.600 0.036 0.000 2.374 48 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 48 M C 2.160 178.484 176.300 0.040 0.000 1.067 48 M CA 1.514 56.833 55.300 0.031 0.000 1.103 48 M CB 0.039 32.654 32.600 0.025 0.000 1.402 48 M HN 0.104 nan 8.290 nan 0.000 0.444 49 R N -0.790 119.754 120.500 0.074 0.000 2.210 49 R HA 0.154 4.494 4.340 -0.000 0.000 0.203 49 R C 1.399 177.757 176.300 0.097 0.000 1.010 49 R CA 0.847 56.999 56.100 0.087 0.000 1.008 49 R CB 0.322 30.738 30.300 0.193 0.000 0.923 49 R HN 0.639 nan 8.270 nan 0.000 0.469 50 G N 0.297 109.178 108.800 0.136 0.000 2.480 50 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.193 50 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.193 50 G C 0.137 175.139 174.900 0.170 0.000 1.004 50 G CA -0.243 44.932 45.100 0.125 0.000 0.696 50 G HN 0.339 nan 8.290 nan 0.000 0.478 51 c N 3.268 122.022 118.600 0.256 0.000 2.409 51 c HA 0.518 5.088 4.570 -0.000 0.000 0.398 51 c C 1.759 175.843 174.090 -0.009 0.000 1.507 51 c CA 0.284 56.636 56.329 0.037 0.000 1.460 51 c CB -1.454 40.905 42.510 -0.251 0.000 2.472 51 c HN 1.548 nan 8.230 nan 0.000 0.614 52 A N 5.339 128.152 122.820 -0.012 0.000 2.521 52 A HA 0.436 4.756 4.320 -0.000 0.000 0.237 52 A C 1.368 178.936 177.584 -0.026 0.000 1.087 52 A CA 0.606 52.637 52.037 -0.010 0.000 0.777 52 A CB -0.005 18.991 19.000 -0.006 0.000 1.035 52 A HN 1.779 nan 8.150 nan 0.000 0.510 53 A N 0.461 123.273 122.820 -0.013 0.000 1.897 53 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 53 A C 1.423 178.999 177.584 -0.013 0.000 1.181 53 A CA 1.737 53.767 52.037 -0.013 0.000 0.620 53 A CB -0.604 18.393 19.000 -0.005 0.000 0.821 53 A HN 0.909 nan 8.150 nan 0.000 0.443 54 D N -0.573 119.822 120.400 -0.009 0.000 2.363 54 D HA -0.037 4.603 4.640 -0.000 0.000 0.226 54 D C 0.239 176.535 176.300 -0.007 0.000 1.020 54 D CA 0.638 54.635 54.000 -0.005 0.000 0.892 54 D CB -0.258 40.542 40.800 -0.001 0.000 0.900 54 D HN 0.285 nan 8.370 nan 0.000 0.531 55 D N -0.053 120.333 120.400 -0.023 0.000 2.369 55 D HA 0.164 4.804 4.640 -0.000 0.000 0.211 55 D C 0.249 176.522 176.300 -0.045 0.000 1.077 55 D CA -0.149 53.829 54.000 -0.036 0.000 0.842 55 D CB 0.663 41.421 40.800 -0.070 0.000 0.947 55 D HN 0.345 nan 8.370 nan 0.000 0.509 56 I N 2.300 122.851 120.570 -0.031 0.000 2.269 56 I HA 0.085 4.255 4.170 -0.000 0.000 0.293 56 I C 0.403 176.540 176.117 0.033 0.000 1.106 56 I CA -0.310 60.977 61.300 -0.020 0.000 1.248 56 I CB 0.470 38.453 38.000 -0.028 0.000 1.444 56 I HN -0.329 nan 8.210 nan 0.000 0.497 57 M N 5.096 124.752 119.600 0.092 0.000 2.243 57 M HA 0.122 4.602 4.480 -0.000 0.000 0.341 57 M C 0.058 176.407 176.300 0.081 0.000 1.130 57 M CA 0.660 56.020 55.300 0.101 0.000 1.162 57 M CB 0.426 33.119 32.600 0.155 0.000 1.497 57 M HN 0.424 nan 8.290 nan 0.000 0.456 58 D N 1.941 122.369 120.400 0.048 0.000 3.868 58 D HA 0.263 4.903 4.640 -0.000 0.000 0.283 58 D C -2.526 173.787 176.300 0.020 0.000 1.439 58 D CA -0.886 53.135 54.000 0.034 0.000 0.760 58 D CB 0.529 41.346 40.800 0.029 0.000 1.335 58 D HN 0.191 nan 8.370 nan 0.000 0.737 59 P HA 0.086 nan 4.420 nan 0.000 0.261 59 P C -0.391 176.917 177.300 0.013 0.000 1.173 59 P CA 0.558 63.664 63.100 0.010 0.000 0.760 59 P CB 0.746 32.449 31.700 0.005 0.000 0.783 60 T N 1.467 116.028 114.554 0.012 0.000 2.908 60 T HA 0.399 4.749 4.350 -0.000 0.000 0.290 60 T C -0.179 174.538 174.700 0.028 0.000 1.034 60 T CA -0.658 61.453 62.100 0.018 0.000 1.010 60 T CB 1.113 69.988 68.868 0.012 0.000 1.068 60 T HN 0.103 nan 8.240 nan 0.000 0.481 61 S N 1.938 117.662 115.700 0.040 0.000 2.545 61 S HA 0.666 5.136 4.470 -0.000 0.000 0.275 61 S C -0.178 174.458 174.600 0.060 0.000 1.299 61 S CA -0.750 57.489 58.200 0.065 0.000 1.048 61 S CB -0.064 63.179 63.200 0.071 0.000 0.938 61 S HN 0.592 nan 8.310 nan 0.000 0.496 62 L N -0.360 120.907 121.223 0.073 0.000 2.503 62 L HA 1.068 5.408 4.340 -0.000 0.000 0.248 62 L C -0.878 176.047 176.870 0.090 0.000 1.126 62 L CA -1.348 53.526 54.840 0.057 0.000 0.929 62 L CB 1.112 43.167 42.059 -0.007 0.000 1.544 62 L HN 0.562 nan 8.230 nan 0.000 0.404 63 A N -0.323 122.539 122.820 0.071 0.000 2.386 63 A HA 0.744 5.064 4.320 -0.000 0.000 0.311 63 A C -1.123 176.476 177.584 0.025 0.000 1.068 63 A CA -0.377 51.699 52.037 0.065 0.000 0.743 63 A CB 1.485 20.562 19.000 0.128 0.000 1.258 63 A HN 0.773 nan 8.150 nan 0.000 0.429 64 E N 1.627 121.836 120.200 0.014 0.000 2.114 64 E HA 0.393 4.743 4.350 -0.000 0.000 0.266 64 E C -0.585 176.000 176.600 -0.025 0.000 0.896 64 E CA -0.394 56.010 56.400 0.006 0.000 0.750 64 E CB 0.733 30.475 29.700 0.069 0.000 1.121 64 E HN 0.611 nan 8.360 nan 0.000 0.413 65 T N 2.097 116.643 114.554 -0.013 0.000 3.400 65 T HA 0.224 4.574 4.350 -0.000 0.000 0.364 65 T C 0.125 174.814 174.700 -0.020 0.000 1.636 65 T CA -0.718 61.376 62.100 -0.011 0.000 1.211 65 T CB 0.338 69.217 68.868 0.019 0.000 1.180 65 T HN 0.426 nan 8.240 nan 0.000 0.730 66 Q N 2.623 122.403 119.800 -0.033 0.000 2.513 66 Q HA 0.115 4.455 4.340 -0.000 0.000 0.227 66 Q C 0.041 176.013 176.000 -0.047 0.000 1.257 66 Q CA 0.057 55.835 55.803 -0.041 0.000 0.915 66 Q CB 0.358 29.071 28.738 -0.042 0.000 1.507 66 Q HN 0.690 nan 8.270 nan 0.000 0.543 67 E N 1.675 121.846 120.200 -0.048 0.000 2.383 67 E HA 0.019 4.368 4.350 -0.000 0.000 0.264 67 E C -0.476 176.066 176.600 -0.097 0.000 1.050 67 E CA -0.334 56.038 56.400 -0.047 0.000 0.896 67 E CB 0.750 30.431 29.700 -0.032 0.000 0.982 67 E HN 0.369 nan 8.360 nan 0.000 0.424 68 D N 0.618 120.973 120.400 -0.075 0.000 2.440 68 D HA 0.081 4.721 4.640 -0.000 0.000 0.269 68 D C 0.835 177.038 176.300 -0.162 0.000 1.249 68 D CA -0.091 53.839 54.000 -0.116 0.000 1.055 68 D CB 0.366 41.176 40.800 0.016 0.000 1.104 68 D HN 0.421 nan 8.370 nan 0.000 0.561 69 H N -0.527 118.548 119.070 0.008 0.000 2.320 69 H HA 0.185 4.740 4.556 -0.000 0.000 0.312 69 H C 0.443 175.777 175.328 0.010 0.000 1.051 69 H CA 0.597 56.650 56.048 0.008 0.000 1.339 69 H CB 0.052 29.819 29.762 0.007 0.000 1.437 69 H HN 0.177 nan 8.280 nan 0.000 0.538 70 N N -2.426 116.380 118.700 0.177 0.000 3.340 70 N HA 0.270 5.010 4.740 -0.000 0.000 0.234 70 N C 0.204 175.761 175.510 0.078 0.000 1.196 70 N CA 0.588 53.695 53.050 0.094 0.000 0.958 70 N CB 1.331 39.859 38.487 0.068 0.000 1.608 70 N HN 0.607 nan 8.380 nan 0.000 0.515 71 G N 0.273 109.111 108.800 0.063 0.000 2.234 71 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 71 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 71 G C 1.075 176.009 174.900 0.056 0.000 0.987 71 G CA 1.195 46.329 45.100 0.057 0.000 0.625 71 G HN 1.075 nan 8.290 nan 0.000 0.532 72 G N -0.555 108.287 108.800 0.069 0.000 2.514 72 G HA2 0.198 4.158 3.960 -0.000 0.000 0.217 72 G HA3 0.198 4.158 3.960 -0.000 0.000 0.217 72 G C 0.729 175.660 174.900 0.052 0.000 1.198 72 G CA 1.719 46.859 45.100 0.067 0.000 0.780 72 G HN 0.672 nan 8.290 nan 0.000 0.565 73 Q N -2.030 117.802 119.800 0.053 0.000 2.501 73 Q HA 0.389 4.729 4.340 -0.000 0.000 0.288 73 Q C 0.213 176.244 176.000 0.053 0.000 1.051 73 Q CA -0.834 54.999 55.803 0.050 0.000 0.788 73 Q CB 2.181 30.951 28.738 0.054 0.000 1.469 73 Q HN 0.081 nan 8.270 nan 0.000 0.416 74 K N 0.268 120.701 120.400 0.055 0.000 2.102 74 K HA 0.090 4.410 4.320 -0.000 0.000 0.206 74 K C 0.735 177.342 176.600 0.013 0.000 1.031 74 K CA 0.711 57.035 56.287 0.062 0.000 0.962 74 K CB 0.429 33.001 32.500 0.121 0.000 0.811 74 K HN 0.354 nan 8.250 nan 0.000 0.453 75 Q N 0.148 119.933 119.800 -0.025 0.000 2.084 75 Q HA 0.300 4.640 4.340 -0.000 0.000 0.230 75 Q C -0.629 175.364 176.000 -0.012 0.000 0.806 75 Q CA 0.068 55.763 55.803 -0.180 0.000 1.083 75 Q CB 1.280 29.693 28.738 -0.540 0.000 1.208 75 Q HN 0.185 nan 8.270 nan 0.000 0.462 76 L N 2.136 123.446 121.223 0.144 0.000 2.356 76 L HA 0.384 4.724 4.340 -0.000 0.000 0.264 76 L C -0.335 176.627 176.870 0.154 0.000 1.029 76 L CA -0.356 54.630 54.840 0.243 0.000 0.897 76 L CB 1.045 43.237 42.059 0.222 0.000 1.256 76 L HN 0.017 nan 8.230 nan 0.000 0.444 77 S N 2.519 118.309 115.700 0.150 0.000 2.568 77 S HA 0.766 5.236 4.470 -0.000 0.000 0.293 77 S C -2.782 171.904 174.600 0.143 0.000 1.089 77 S CA -1.605 56.663 58.200 0.113 0.000 0.945 77 S CB 2.207 65.450 63.200 0.073 0.000 1.077 77 S HN 0.143 nan 8.310 nan 0.000 0.485 78 P HA 0.282 nan 4.420 nan 0.000 0.274 78 P C -0.313 177.027 177.300 0.068 0.000 1.260 78 P CA -0.138 63.009 63.100 0.078 0.000 0.793 78 P CB 0.469 32.207 31.700 0.064 0.000 1.048 79 Q N -0.938 118.881 119.800 0.031 0.000 2.378 79 Q HA 0.155 4.495 4.340 -0.000 0.000 0.216 79 Q C -0.047 175.944 176.000 -0.015 0.000 0.892 79 Q CA 1.065 56.881 55.803 0.021 0.000 0.931 79 Q CB 0.278 29.028 28.738 0.020 0.000 1.086 79 Q HN 0.421 nan 8.270 nan 0.000 0.528 80 K N 0.275 120.652 120.400 -0.038 0.000 2.637 80 K HA 0.435 4.755 4.320 -0.000 0.000 0.248 80 K C -1.536 174.994 176.600 -0.118 0.000 0.971 80 K CA -0.360 55.877 56.287 -0.082 0.000 0.858 80 K CB 2.634 35.095 32.500 -0.066 0.000 1.170 80 K HN -0.244 nan 8.250 nan 0.000 0.443 81 V N 2.735 122.523 119.914 -0.209 0.000 2.294 81 V HA 0.166 4.286 4.120 -0.000 0.000 0.272 81 V C -0.105 175.796 176.094 -0.323 0.000 1.027 81 V CA -0.535 61.571 62.300 -0.323 0.000 0.823 81 V CB 1.190 32.615 31.823 -0.663 0.000 1.030 81 V HN 0.694 nan 8.190 nan 0.000 0.457 82 T N 7.075 121.520 114.554 -0.181 0.000 3.162 82 T HA 0.406 4.756 4.350 -0.000 0.000 0.316 82 T C -0.055 174.621 174.700 -0.040 0.000 1.182 82 T CA -0.303 61.721 62.100 -0.128 0.000 1.015 82 T CB -0.325 68.524 68.868 -0.032 0.000 1.089 82 T HN 0.497 nan 8.240 nan 0.000 0.646 83 L N 0.659 121.800 121.223 -0.136 0.000 2.395 83 L HA 0.599 4.939 4.340 -0.000 0.000 0.269 83 L C -0.823 176.068 176.870 0.035 0.000 1.133 83 L CA -0.756 54.084 54.840 0.000 0.000 0.812 83 L CB -0.147 41.870 42.059 -0.070 0.000 1.125 83 L HN 0.248 nan 8.230 nan 0.000 0.452 84 Y N 3.777 124.058 120.300 -0.032 0.000 2.478 84 Y HA 0.572 5.122 4.550 -0.000 0.000 0.329 84 Y C -0.439 175.460 175.900 -0.000 0.000 0.967 84 Y CA -0.876 57.213 58.100 -0.017 0.000 1.255 84 Y CB 1.369 39.818 38.460 -0.018 0.000 1.103 84 Y HN 0.567 nan 8.280 nan 0.000 0.497 85 L N 5.031 126.307 121.223 0.088 0.000 2.265 85 L HA 0.525 4.864 4.340 -0.000 0.000 0.289 85 L C -0.107 176.790 176.870 0.046 0.000 1.033 85 L CA -0.803 54.078 54.840 0.069 0.000 0.814 85 L CB 0.778 42.868 42.059 0.052 0.000 1.203 85 L HN 0.589 nan 8.230 nan 0.000 0.423 86 R N 6.355 126.882 120.500 0.045 0.000 2.308 86 R HA 0.494 4.834 4.340 -0.000 0.000 0.305 86 R C -2.366 173.939 176.300 0.009 0.000 1.053 86 R CA -1.651 54.462 56.100 0.022 0.000 0.957 86 R CB 0.875 31.187 30.300 0.021 0.000 1.022 86 R HN 0.446 nan 8.270 nan 0.000 0.461 87 P HA 0.005 nan 4.420 nan 0.000 0.264 87 P C 0.306 177.594 177.300 -0.019 0.000 1.183 87 P CA 1.171 64.261 63.100 -0.017 0.000 0.763 87 P CB 0.826 32.506 31.700 -0.034 0.000 0.807 88 G N 1.731 110.521 108.800 -0.017 0.000 2.320 88 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.242 88 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.242 88 G C 0.210 175.106 174.900 -0.006 0.000 1.033 88 G CA -0.038 45.051 45.100 -0.018 0.000 0.620 88 G HN 0.636 nan 8.290 nan 0.000 0.517 89 Q N 0.832 120.633 119.800 0.002 0.000 2.271 89 Q HA 0.696 5.036 4.340 -0.000 0.000 0.258 89 Q C 0.121 176.134 176.000 0.022 0.000 0.936 89 Q CA -0.011 55.799 55.803 0.012 0.000 0.909 89 Q CB 1.350 30.098 28.738 0.016 0.000 1.253 89 Q HN 0.809 nan 8.270 nan 0.000 0.440 90 A N 2.360 125.194 122.820 0.022 0.000 2.331 90 A HA 0.700 5.020 4.320 -0.000 0.000 0.283 90 A C -0.705 176.910 177.584 0.052 0.000 1.142 90 A CA -0.234 51.820 52.037 0.028 0.000 0.812 90 A CB 0.823 19.830 19.000 0.011 0.000 1.074 90 A HN 0.746 nan 8.150 nan 0.000 0.497 91 A N 1.770 124.641 122.820 0.085 0.000 2.276 91 A HA 0.707 5.027 4.320 -0.000 0.000 0.316 91 A C 0.214 177.903 177.584 0.174 0.000 1.229 91 A CA 0.118 52.239 52.037 0.140 0.000 0.851 91 A CB 0.565 19.672 19.000 0.179 0.000 1.165 91 A HN 2.024 nan 8.150 nan 0.000 0.513 92 A N 2.416 125.327 122.820 0.153 0.000 2.318 92 A HA 0.812 5.132 4.320 -0.000 0.000 0.317 92 A C -0.698 177.002 177.584 0.193 0.000 1.159 92 A CA -0.517 51.566 52.037 0.075 0.000 0.799 92 A CB 0.170 19.183 19.000 0.021 0.000 1.194 92 A HN 1.541 nan 8.150 nan 0.000 0.479 93 F N 0.947 120.921 119.950 0.039 0.000 2.561 93 F HA 0.638 5.165 4.527 -0.000 0.000 0.313 93 F C -0.459 175.385 175.800 0.074 0.000 1.126 93 F CA -1.327 56.702 58.000 0.049 0.000 0.918 93 F CB 1.061 40.088 39.000 0.044 0.000 1.199 93 F HN 0.351 nan 8.300 nan 0.000 0.444 94 N N 1.229 120.015 118.700 0.144 0.000 2.445 94 N HA 0.589 5.329 4.740 -0.000 0.000 0.264 94 N C -1.105 174.516 175.510 0.184 0.000 1.227 94 N CA -0.578 52.535 53.050 0.106 0.000 0.963 94 N CB 1.837 40.375 38.487 0.085 0.000 1.188 94 N HN 0.545 nan 8.380 nan 0.000 0.491 95 V N 0.807 120.841 119.914 0.200 0.000 2.445 95 V HA 0.224 4.344 4.120 -0.000 0.000 0.283 95 V C -0.269 175.975 176.094 0.251 0.000 1.014 95 V CA -0.770 61.689 62.300 0.265 0.000 0.852 95 V CB 1.183 33.219 31.823 0.354 0.000 1.021 95 V HN 0.575 nan 8.190 nan 0.000 0.435 96 T N 5.540 120.207 114.554 0.189 0.000 2.814 96 T HA 0.479 4.829 4.350 -0.000 0.000 0.297 96 T C -0.705 174.138 174.700 0.239 0.000 0.956 96 T CA 0.385 62.576 62.100 0.151 0.000 1.123 96 T CB 0.233 69.150 68.868 0.081 0.000 0.902 96 T HN 0.470 nan 8.240 nan 0.000 0.528 97 F N 3.985 123.971 119.950 0.059 0.000 2.659 97 F HA 0.456 4.983 4.527 -0.000 0.000 0.342 97 F C -0.114 175.701 175.800 0.024 0.000 1.168 97 F CA -0.986 57.051 58.000 0.061 0.000 1.003 97 F CB 0.989 40.069 39.000 0.133 0.000 1.267 97 F HN 0.410 nan 8.300 nan 0.000 0.463 98 R N 6.654 126.885 120.500 -0.448 0.000 2.477 98 R HA 0.365 4.705 4.340 -0.000 0.000 0.285 98 R C -0.165 175.845 176.300 -0.483 0.000 1.415 98 R CA -0.720 55.183 56.100 -0.327 0.000 1.446 98 R CB 0.479 30.683 30.300 -0.160 0.000 1.110 98 R HN 0.853 nan 8.270 nan 0.000 0.590 99 R N 1.670 121.808 120.500 -0.602 0.000 2.740 99 R HA -0.062 4.278 4.340 -0.000 0.000 0.263 99 R C 0.154 176.355 176.300 -0.165 0.000 0.997 99 R CA 1.221 57.099 56.100 -0.369 0.000 1.108 99 R CB 0.726 31.008 30.300 -0.031 0.000 0.969 99 R HN 0.706 nan 8.270 nan 0.000 0.431 100 A N 2.996 125.753 122.820 -0.106 0.000 1.970 100 A HA 0.202 4.522 4.320 -0.000 0.000 0.204 100 A C 0.532 178.043 177.584 -0.121 0.000 1.325 100 A CA 0.826 52.791 52.037 -0.119 0.000 0.767 100 A CB 0.289 19.205 19.000 -0.141 0.000 0.949 100 A HN 0.743 nan 8.150 nan 0.000 0.481 101 K N -3.626 116.691 120.400 -0.138 0.000 3.558 101 K HA 0.410 4.730 4.320 -0.000 0.000 0.437 101 K C -1.179 175.319 176.600 -0.171 0.000 0.918 101 K CA -0.124 56.053 56.287 -0.184 0.000 0.758 101 K CB 0.005 32.334 32.500 -0.285 0.000 1.442 101 K HN 0.382 nan 8.250 nan 0.000 0.542 102 G N 0.574 109.247 108.800 -0.211 0.000 2.470 102 G HA2 0.598 4.557 3.960 -0.000 0.000 0.320 102 G HA3 0.598 4.557 3.960 -0.000 0.000 0.320 102 G C -1.511 173.291 174.900 -0.164 0.000 1.245 102 G CA -0.304 44.728 45.100 -0.113 0.000 0.935 102 G HN 0.300 nan 8.290 nan 0.000 0.476 103 Y N 1.440 121.803 120.300 0.104 0.000 2.418 103 Y HA 0.392 4.942 4.550 -0.000 0.000 0.327 103 Y C -1.669 174.289 175.900 0.095 0.000 1.309 103 Y CA -2.074 56.082 58.100 0.095 0.000 1.423 103 Y CB 0.827 39.357 38.460 0.116 0.000 1.423 103 Y HN 0.306 nan 8.280 nan 0.000 0.532 104 P HA -0.015 nan 4.420 nan 0.000 0.258 104 P C -0.359 177.050 177.300 0.182 0.000 1.187 104 P CA 0.542 63.747 63.100 0.174 0.000 0.767 104 P CB 0.099 31.888 31.700 0.149 0.000 0.770 105 I N 2.778 123.446 120.570 0.163 0.000 2.886 105 I HA 0.245 4.415 4.170 -0.000 0.000 0.299 105 I C 0.115 176.319 176.117 0.144 0.000 1.044 105 I CA 0.164 61.571 61.300 0.179 0.000 1.310 105 I CB 0.889 39.006 38.000 0.195 0.000 1.441 105 I HN 0.201 nan 8.210 nan 0.000 0.578 106 D N 5.751 126.251 120.400 0.166 0.000 2.445 106 D HA 0.285 4.925 4.640 -0.000 0.000 0.236 106 D C -0.942 175.483 176.300 0.209 0.000 1.315 106 D CA -0.290 53.806 54.000 0.160 0.000 0.924 106 D CB 0.581 41.522 40.800 0.235 0.000 1.447 106 D HN 0.307 nan 8.370 nan 0.000 0.532 107 L N 1.713 123.017 121.223 0.135 0.000 2.456 107 L HA 0.476 4.816 4.340 -0.000 0.000 0.257 107 L C -0.576 176.446 176.870 0.253 0.000 1.162 107 L CA -0.691 54.258 54.840 0.181 0.000 0.808 107 L CB 0.902 43.031 42.059 0.117 0.000 1.136 107 L HN 0.331 nan 8.230 nan 0.000 0.466 108 Y N 0.554 120.967 120.300 0.189 0.000 2.348 108 Y HA 0.221 4.771 4.550 -0.000 0.000 0.321 108 Y C -1.323 174.726 175.900 0.249 0.000 1.163 108 Y CA -0.729 57.508 58.100 0.229 0.000 1.070 108 Y CB 1.157 39.801 38.460 0.307 0.000 1.250 108 Y HN 0.336 nan 8.280 nan 0.000 0.425 109 Y N 7.290 127.555 120.300 -0.058 0.000 2.518 109 Y HA 0.445 4.995 4.550 -0.000 0.000 0.344 109 Y C -0.824 174.997 175.900 -0.133 0.000 0.982 109 Y CA -0.482 57.635 58.100 0.029 0.000 1.234 109 Y CB 0.422 39.011 38.460 0.215 0.000 1.114 109 Y HN 0.560 nan 8.280 nan 0.000 0.515 110 L N 8.027 129.227 121.223 -0.037 0.000 2.334 110 L HA 0.287 4.627 4.340 -0.000 0.000 0.286 110 L C -0.068 176.809 176.870 0.011 0.000 1.108 110 L CA 0.017 54.934 54.840 0.128 0.000 0.875 110 L CB 0.097 42.313 42.059 0.263 0.000 1.246 110 L HN 0.633 nan 8.230 nan 0.000 0.439 111 M N 2.779 122.302 119.600 -0.129 0.000 2.336 111 M HA 0.308 4.788 4.480 -0.000 0.000 0.342 111 M C -0.590 175.213 176.300 -0.828 0.000 1.128 111 M CA -0.584 54.570 55.300 -0.243 0.000 1.016 111 M CB 1.700 34.441 32.600 0.235 0.000 1.665 111 M HN 0.278 nan 8.290 nan 0.000 0.445 112 D N 4.888 124.698 120.400 -0.984 0.000 2.325 112 D HA 0.214 4.854 4.640 -0.000 0.000 0.251 112 D C -1.012 175.038 176.300 -0.417 0.000 1.196 112 D CA 0.047 53.388 54.000 -1.098 0.000 0.866 112 D CB 0.516 40.978 40.800 -0.564 0.000 1.101 112 D HN 0.650 nan 8.370 nan 0.000 0.476 113 L N 3.942 124.984 121.223 -0.300 0.000 2.352 113 L HA 0.272 4.612 4.340 -0.000 0.000 0.272 113 L C 0.064 176.924 176.870 -0.017 0.000 1.109 113 L CA -0.333 54.486 54.840 -0.035 0.000 0.952 113 L CB 0.096 42.284 42.059 0.214 0.000 1.314 113 L HN 0.319 nan 8.230 nan 0.000 0.427 114 S N -0.145 115.552 115.700 -0.005 0.000 2.798 114 S HA 0.260 4.730 4.470 -0.000 0.000 0.312 114 S C 0.345 175.002 174.600 0.094 0.000 1.122 114 S CA -0.477 57.758 58.200 0.057 0.000 0.949 114 S CB 1.279 64.516 63.200 0.061 0.000 1.235 114 S HN 0.451 nan 8.310 nan 0.000 0.552 115 Y N 1.706 122.024 120.300 0.030 0.000 2.544 115 Y HA -0.012 4.538 4.550 -0.000 0.000 0.286 115 Y C 2.326 178.244 175.900 0.030 0.000 1.141 115 Y CA 1.241 59.360 58.100 0.032 0.000 1.299 115 Y CB 0.027 38.507 38.460 0.032 0.000 1.030 115 Y HN 0.668 nan 8.280 nan 0.000 0.543 116 S N -1.267 114.521 115.700 0.146 0.000 2.528 116 S HA 0.026 4.496 4.470 -0.000 0.000 0.219 116 S C 1.029 175.647 174.600 0.031 0.000 0.985 116 S CA 0.198 58.455 58.200 0.095 0.000 0.914 116 S CB -0.078 63.185 63.200 0.106 0.000 0.776 116 S HN 0.227 nan 8.310 nan 0.000 0.526 117 M N 1.630 121.232 119.600 0.004 0.000 2.989 117 M HA 0.426 4.906 4.480 -0.000 0.000 0.307 117 M C 0.378 176.647 176.300 -0.052 0.000 1.224 117 M CA -0.097 55.196 55.300 -0.012 0.000 0.984 117 M CB -0.383 32.210 32.600 -0.012 0.000 1.264 117 M HN 0.316 nan 8.290 nan 0.000 0.525 118 L N 0.634 121.793 121.223 -0.105 0.000 2.062 118 L HA -0.112 4.228 4.340 -0.000 0.000 0.202 118 L C 1.963 178.776 176.870 -0.095 0.000 1.079 118 L CA 1.168 55.913 54.840 -0.159 0.000 0.755 118 L CB -0.332 41.543 42.059 -0.306 0.000 0.913 118 L HN 0.378 nan 8.230 nan 0.000 0.445 119 D N -1.155 119.204 120.400 -0.070 0.000 2.378 119 D HA -0.179 4.460 4.640 -0.000 0.000 0.222 119 D C 1.180 177.468 176.300 -0.019 0.000 0.980 119 D CA 0.802 54.778 54.000 -0.039 0.000 0.907 119 D CB -0.361 40.425 40.800 -0.022 0.000 0.899 119 D HN 0.247 nan 8.370 nan 0.000 0.527 120 D N 0.115 120.509 120.400 -0.011 0.000 2.183 120 D HA 0.010 4.650 4.640 -0.000 0.000 0.205 120 D C 1.971 178.275 176.300 0.006 0.000 0.962 120 D CA 0.227 54.237 54.000 0.016 0.000 0.849 120 D CB -0.205 40.617 40.800 0.038 0.000 0.978 120 D HN 0.207 nan 8.370 nan 0.000 0.488 121 L N 0.411 121.623 121.223 -0.018 0.000 2.217 121 L HA -0.040 4.300 4.340 -0.000 0.000 0.211 121 L C 2.309 179.141 176.870 -0.063 0.000 1.107 121 L CA 0.868 55.684 54.840 -0.040 0.000 0.783 121 L CB 0.146 42.175 42.059 -0.050 0.000 0.919 121 L HN -0.079 nan 8.230 nan 0.000 0.442 122 R N -0.070 120.397 120.500 -0.054 0.000 2.066 122 R HA -0.083 4.257 4.340 -0.000 0.000 0.224 122 R C 1.331 177.603 176.300 -0.047 0.000 1.122 122 R CA 1.633 57.700 56.100 -0.056 0.000 0.974 122 R CB -0.156 30.114 30.300 -0.050 0.000 0.871 122 R HN 0.403 nan 8.270 nan 0.000 0.435 123 N N -0.555 118.126 118.700 -0.031 0.000 2.421 123 N HA 0.018 4.758 4.740 -0.000 0.000 0.201 123 N C -0.042 175.453 175.510 -0.026 0.000 1.198 123 N CA -0.098 52.939 53.050 -0.021 0.000 0.838 123 N CB 1.038 39.522 38.487 -0.004 0.000 1.011 123 N HN 0.037 nan 8.380 nan 0.000 0.463 124 V N -0.367 119.517 119.914 -0.049 0.000 3.283 124 V HA -0.079 4.041 4.120 -0.000 0.000 0.265 124 V C 1.666 177.678 176.094 -0.137 0.000 1.672 124 V CA -0.107 62.146 62.300 -0.078 0.000 1.020 124 V CB 0.299 32.092 31.823 -0.051 0.000 0.854 124 V HN 0.237 nan 8.190 nan 0.000 0.408 125 K N 1.906 122.227 120.400 -0.132 0.000 2.242 125 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 125 K C 0.648 177.130 176.600 -0.197 0.000 1.045 125 K CA 1.618 57.795 56.287 -0.183 0.000 0.930 125 K CB -0.100 32.309 32.500 -0.151 0.000 0.726 125 K HN 0.382 nan 8.250 nan 0.000 0.462 126 K N 0.514 120.831 120.400 -0.139 0.000 3.306 126 K HA 0.184 4.504 4.320 -0.000 0.000 0.169 126 K C -1.494 175.061 176.600 -0.075 0.000 1.110 126 K CA -0.295 55.925 56.287 -0.112 0.000 0.783 126 K CB 1.009 33.449 32.500 -0.101 0.000 0.958 126 K HN -0.031 nan 8.250 nan 0.000 0.581 127 L N 0.574 121.751 121.223 -0.076 0.000 2.679 127 L HA 0.426 4.766 4.340 -0.000 0.000 0.238 127 L C 0.491 177.336 176.870 -0.041 0.000 1.330 127 L CA 0.172 54.982 54.840 -0.049 0.000 0.935 127 L CB 0.705 42.739 42.059 -0.042 0.000 1.243 127 L HN 0.403 nan 8.230 nan 0.000 0.484 128 G N -0.510 108.274 108.800 -0.026 0.000 3.228 128 G HA2 0.155 4.115 3.960 -0.000 0.000 0.245 128 G HA3 0.155 4.115 3.960 -0.000 0.000 0.245 128 G C 0.996 175.882 174.900 -0.024 0.000 1.051 128 G CA 0.394 45.483 45.100 -0.018 0.000 0.809 128 G HN 0.597 nan 8.290 nan 0.000 0.531 129 G N 1.316 110.104 108.800 -0.019 0.000 2.551 129 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 1.230 176.121 174.900 -0.015 0.000 1.137 129 G CA 1.155 46.245 45.100 -0.018 0.000 0.798 129 G HN 0.440 nan 8.290 nan 0.000 0.536 130 D N 0.110 120.503 120.400 -0.012 0.000 2.349 130 D HA 0.075 4.715 4.640 -0.000 0.000 0.214 130 D C 2.031 178.331 176.300 0.001 0.000 1.063 130 D CA -0.177 53.820 54.000 -0.004 0.000 0.847 130 D CB -0.147 40.653 40.800 0.000 0.000 0.933 130 D HN 0.349 nan 8.370 nan 0.000 0.513 131 L N -0.498 120.720 121.223 -0.008 0.000 2.145 131 L HA 0.031 4.371 4.340 -0.000 0.000 0.201 131 L C 2.029 178.896 176.870 -0.006 0.000 1.075 131 L CA 0.315 55.154 54.840 -0.003 0.000 0.773 131 L CB -0.232 41.813 42.059 -0.024 0.000 0.936 131 L HN -0.019 nan 8.230 nan 0.000 0.451 132 L N -0.125 121.082 121.223 -0.026 0.000 2.201 132 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 132 L C 2.618 179.481 176.870 -0.011 0.000 1.105 132 L CA 1.429 56.255 54.840 -0.024 0.000 0.775 132 L CB -0.708 41.330 42.059 -0.036 0.000 0.913 132 L HN 0.164 nan 8.230 nan 0.000 0.440 133 R N -0.286 120.209 120.500 -0.008 0.000 2.090 133 R HA -0.070 4.270 4.340 -0.000 0.000 0.228 133 R C 2.049 178.350 176.300 0.002 0.000 1.110 133 R CA 1.163 57.260 56.100 -0.004 0.000 0.973 133 R CB -0.109 30.189 30.300 -0.003 0.000 0.869 133 R HN 0.321 nan 8.270 nan 0.000 0.440 134 A N 0.447 123.274 122.820 0.012 0.000 2.169 134 A HA -0.016 4.304 4.320 -0.000 0.000 0.212 134 A C 1.698 179.297 177.584 0.025 0.000 1.153 134 A CA 0.394 52.446 52.037 0.024 0.000 0.756 134 A CB -0.048 18.978 19.000 0.043 0.000 0.813 134 A HN 0.368 nan 8.150 nan 0.000 0.471 135 L N -0.786 120.447 121.223 0.018 0.000 2.513 135 L HA 0.194 4.534 4.340 -0.000 0.000 0.222 135 L C 1.561 178.425 176.870 -0.009 0.000 1.096 135 L CA 1.315 56.166 54.840 0.017 0.000 0.857 135 L CB -0.505 41.568 42.059 0.023 0.000 1.026 135 L HN 0.319 nan 8.230 nan 0.000 0.469 136 N N 0.376 119.069 118.700 -0.012 0.000 2.120 136 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 136 N C 1.543 177.035 175.510 -0.030 0.000 1.024 136 N CA 1.748 54.787 53.050 -0.018 0.000 0.852 136 N CB 0.149 38.627 38.487 -0.015 0.000 1.003 136 N HN 0.459 nan 8.380 nan 0.000 0.424 137 E N 0.263 120.441 120.200 -0.036 0.000 2.005 137 E HA -0.135 4.215 4.350 -0.000 0.000 0.198 137 E C 1.967 178.525 176.600 -0.070 0.000 1.010 137 E CA 1.466 57.838 56.400 -0.047 0.000 0.825 137 E CB -0.246 29.426 29.700 -0.047 0.000 0.769 137 E HN 0.319 nan 8.360 nan 0.000 0.456 138 I N 0.367 120.874 120.570 -0.105 0.000 2.185 138 I HA -0.034 4.136 4.170 -0.000 0.000 0.235 138 I C 1.098 177.145 176.117 -0.116 0.000 1.069 138 I CA 0.955 62.167 61.300 -0.147 0.000 1.354 138 I CB -1.619 36.215 38.000 -0.277 0.000 1.093 138 I HN 0.038 nan 8.210 nan 0.000 0.411 139 T N 2.143 116.637 114.554 -0.100 0.000 2.874 139 T HA 0.290 4.640 4.350 -0.000 0.000 0.281 139 T C 0.655 175.342 174.700 -0.021 0.000 0.994 139 T CA -0.622 61.452 62.100 -0.043 0.000 1.015 139 T CB 1.877 70.750 68.868 0.008 0.000 1.028 139 T HN 0.358 nan 8.240 nan 0.000 0.523 140 E N 0.325 120.523 120.200 -0.004 0.000 3.361 140 E HA 0.285 4.635 4.350 -0.000 0.000 0.379 140 E C 0.058 176.664 176.600 0.009 0.000 0.442 140 E CA -0.752 55.648 56.400 -0.001 0.000 2.366 140 E CB -0.167 29.533 29.700 -0.000 0.000 2.164 140 E HN 0.495 nan 8.360 nan 0.000 0.446 141 S N 0.622 116.329 115.700 0.012 0.000 2.671 141 S HA 0.243 4.712 4.470 -0.000 0.000 0.331 141 S C 0.449 175.063 174.600 0.023 0.000 1.182 141 S CA -0.437 57.770 58.200 0.011 0.000 1.276 141 S CB -0.426 62.781 63.200 0.012 0.000 1.360 141 S HN 0.591 nan 8.310 nan 0.000 0.563 142 G N 2.658 111.469 108.800 0.018 0.000 2.574 142 G HA2 0.648 4.608 3.960 -0.000 0.000 0.248 142 G HA3 0.648 4.608 3.960 -0.000 0.000 0.248 142 G C -0.178 174.723 174.900 0.002 0.000 1.422 142 G CA -0.994 44.124 45.100 0.030 0.000 1.051 142 G HN 0.603 nan 8.290 nan 0.000 0.560 143 R N -1.566 118.929 120.500 -0.009 0.000 2.808 143 R HA 0.605 4.945 4.340 -0.000 0.000 0.272 143 R C -1.672 174.556 176.300 -0.119 0.000 0.995 143 R CA -0.717 55.350 56.100 -0.056 0.000 0.917 143 R CB 1.759 32.036 30.300 -0.038 0.000 1.217 143 R HN 0.345 nan 8.270 nan 0.000 0.471 144 I N 0.034 120.468 120.570 -0.227 0.000 2.534 144 I HA 0.542 4.712 4.170 -0.000 0.000 0.288 144 I C 0.168 176.018 176.117 -0.445 0.000 1.077 144 I CA -0.268 60.764 61.300 -0.446 0.000 1.051 144 I CB 2.374 39.895 38.000 -0.798 0.000 1.234 144 I HN 0.706 nan 8.210 nan 0.000 0.425 145 G N 4.134 112.811 108.800 -0.205 0.000 2.642 145 G HA2 0.777 4.737 3.960 -0.000 0.000 0.293 145 G HA3 0.777 4.737 3.960 -0.000 0.000 0.293 145 G C -2.092 172.836 174.900 0.048 0.000 1.341 145 G CA -0.601 44.561 45.100 0.102 0.000 0.916 145 G HN 0.323 nan 8.290 nan 0.000 0.474 146 F N 0.061 119.797 119.950 -0.356 0.000 2.588 146 F HA 0.757 5.284 4.527 -0.000 0.000 0.310 146 F C -0.051 175.332 175.800 -0.695 0.000 1.082 146 F CA -0.523 57.154 58.000 -0.538 0.000 0.929 146 F CB 2.615 41.410 39.000 -0.341 0.000 1.254 146 F HN 0.805 nan 8.300 nan 0.000 0.455 147 G N 2.894 110.944 108.800 -1.250 0.000 2.668 147 G HA2 0.451 4.411 3.960 -0.000 0.000 0.284 147 G HA3 0.451 4.411 3.960 -0.000 0.000 0.284 147 G C -1.771 172.856 174.900 -0.456 0.000 1.456 147 G CA -0.608 44.280 45.100 -0.353 0.000 1.214 147 G HN 0.772 nan 8.290 nan 0.000 0.568 148 S N 0.877 116.437 115.700 -0.232 0.000 2.652 148 S HA 0.927 5.397 4.470 -0.000 0.000 0.270 148 S C -0.570 174.290 174.600 0.434 0.000 1.243 148 S CA -0.501 57.751 58.200 0.087 0.000 0.999 148 S CB 0.601 64.002 63.200 0.336 0.000 0.973 148 S HN 1.438 nan 8.310 nan 0.000 0.544 149 F N 0.329 120.428 119.950 0.247 0.000 2.725 149 F HA 0.635 5.162 4.527 -0.000 0.000 0.309 149 F C -0.831 174.852 175.800 -0.195 0.000 1.132 149 F CA -0.972 57.073 58.000 0.075 0.000 0.957 149 F CB 0.269 39.358 39.000 0.149 0.000 1.286 149 F HN 0.315 nan 8.300 nan 0.000 0.440 150 V N -0.418 119.377 119.914 -0.200 0.000 4.197 150 V HA 0.506 4.626 4.120 -0.000 0.000 0.176 150 V C -1.035 175.078 176.094 0.032 0.000 1.208 150 V CA 0.657 62.813 62.300 -0.240 0.000 1.306 150 V CB 0.662 32.127 31.823 -0.598 0.000 1.585 150 V HN 0.897 nan 8.190 nan 0.000 0.552 151 D N -1.008 119.350 120.400 -0.070 0.000 2.798 151 D HA 0.196 4.836 4.640 -0.000 0.000 0.265 151 D C -1.183 175.049 176.300 -0.114 0.000 1.223 151 D CA -0.596 53.401 54.000 -0.005 0.000 0.743 151 D CB 1.740 42.603 40.800 0.106 0.000 1.276 151 D HN 0.158 nan 8.370 nan 0.000 0.421 152 K N 0.253 120.511 120.400 -0.238 0.000 2.559 152 K HA 0.013 4.333 4.320 -0.000 0.000 0.279 152 K C 0.762 177.339 176.600 -0.039 0.000 0.967 152 K CA 0.688 56.822 56.287 -0.255 0.000 1.000 152 K CB 0.449 32.626 32.500 -0.538 0.000 0.890 152 K HN 0.394 nan 8.250 nan 0.000 0.501 153 T N 1.854 116.459 114.554 0.085 0.000 2.674 153 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 153 T C 0.941 175.700 174.700 0.097 0.000 1.039 153 T CA 0.838 63.022 62.100 0.140 0.000 1.150 153 T CB -0.047 68.933 68.868 0.187 0.000 0.864 153 T HN 0.465 nan 8.240 nan 0.000 0.427 154 V N 3.309 123.278 119.914 0.092 0.000 3.003 154 V HA 0.394 4.514 4.120 -0.000 0.000 0.305 154 V C 0.252 176.456 176.094 0.182 0.000 1.078 154 V CA -1.153 61.211 62.300 0.105 0.000 1.083 154 V CB 0.312 32.195 31.823 0.100 0.000 1.039 154 V HN 0.389 nan 8.190 nan 0.000 0.481 155 L N 4.191 125.510 121.223 0.161 0.000 2.456 155 L HA 0.450 4.790 4.340 -0.000 0.000 0.246 155 L C -1.943 175.069 176.870 0.237 0.000 1.238 155 L CA -0.755 54.190 54.840 0.174 0.000 0.826 155 L CB -1.416 40.697 42.059 0.090 0.000 1.150 155 L HN 0.376 nan 8.230 nan 0.000 0.514 156 P HA 0.109 nan 4.420 nan 0.000 0.256 156 P C 0.499 177.714 177.300 -0.142 0.000 1.335 156 P CA 0.665 63.729 63.100 -0.061 0.000 0.808 156 P CB -0.207 31.394 31.700 -0.165 0.000 1.305 157 F N -0.919 119.008 119.950 -0.039 0.000 2.416 157 F HA 0.092 4.619 4.527 -0.000 0.000 0.296 157 F C 1.299 177.087 175.800 -0.020 0.000 1.099 157 F CA 0.668 58.630 58.000 -0.063 0.000 1.427 157 F CB 0.142 39.092 39.000 -0.082 0.000 1.079 157 F HN -0.186 nan 8.300 nan 0.000 0.536 158 V N 0.541 120.561 119.914 0.175 0.000 2.950 158 V HA 0.267 4.387 4.120 -0.000 0.000 0.295 158 V C -1.591 174.550 176.094 0.077 0.000 1.297 158 V CA -1.430 60.932 62.300 0.103 0.000 0.962 158 V CB 1.382 33.266 31.823 0.101 0.000 1.081 158 V HN 0.294 nan 8.190 nan 0.000 0.432 159 N N 3.422 122.153 118.700 0.053 0.000 2.365 159 N HA 0.010 4.750 4.740 -0.000 0.000 0.265 159 N C 0.964 176.490 175.510 0.026 0.000 1.288 159 N CA 0.753 53.829 53.050 0.044 0.000 0.869 159 N CB 0.977 39.489 38.487 0.041 0.000 1.071 159 N HN 0.892 nan 8.380 nan 0.000 0.480 160 T N -1.214 113.348 114.554 0.013 0.000 3.014 160 T HA -0.003 4.347 4.350 -0.000 0.000 0.263 160 T C 0.041 174.576 174.700 -0.276 0.000 1.078 160 T CA 0.809 62.854 62.100 -0.091 0.000 1.135 160 T CB -0.413 68.421 68.868 -0.057 0.000 0.895 160 T HN 0.689 nan 8.240 nan 0.000 0.480 161 H N 0.614 119.710 119.070 0.043 0.000 2.928 161 H HA 0.531 5.087 4.556 -0.000 0.000 0.371 161 H C -1.919 173.427 175.328 0.030 0.000 1.186 161 H CA -1.656 54.413 56.048 0.035 0.000 1.134 161 H CB 2.388 32.168 29.762 0.030 0.000 1.824 161 H HN 0.022 nan 8.280 nan 0.000 0.554 162 P HA 0.063 nan 4.420 nan 0.000 0.219 162 P C 0.281 177.655 177.300 0.124 0.000 1.149 162 P CA 0.169 63.398 63.100 0.215 0.000 0.755 162 P CB 0.540 32.323 31.700 0.137 0.000 1.201 163 D N -0.514 119.940 120.400 0.090 0.000 2.340 163 D HA -0.059 4.581 4.640 -0.000 0.000 0.220 163 D C 1.528 177.858 176.300 0.050 0.000 1.039 163 D CA 0.351 54.390 54.000 0.065 0.000 0.866 163 D CB -0.338 40.495 40.800 0.054 0.000 0.913 163 D HN 0.253 nan 8.370 nan 0.000 0.523 164 K N 0.073 120.502 120.400 0.048 0.000 2.362 164 K HA -0.074 4.246 4.320 -0.000 0.000 0.200 164 K C 1.806 178.431 176.600 0.042 0.000 1.046 164 K CA 0.315 56.625 56.287 0.039 0.000 0.952 164 K CB -0.143 32.378 32.500 0.034 0.000 0.753 164 K HN 0.113 nan 8.250 nan 0.000 0.466 165 L N 1.300 122.548 121.223 0.041 0.000 2.056 165 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 165 L C 1.911 178.809 176.870 0.046 0.000 1.078 165 L CA 1.574 56.435 54.840 0.034 0.000 0.749 165 L CB -0.219 41.838 42.059 -0.002 0.000 0.901 165 L HN 0.083 nan 8.230 nan 0.000 0.433 166 R N -0.580 119.947 120.500 0.045 0.000 2.237 166 R HA -0.020 4.320 4.340 -0.000 0.000 0.219 166 R C 0.253 176.581 176.300 0.047 0.000 1.080 166 R CA 0.866 56.992 56.100 0.044 0.000 0.995 166 R CB -0.244 30.080 30.300 0.041 0.000 0.875 166 R HN 0.309 nan 8.270 nan 0.000 0.462 167 N N -0.467 118.262 118.700 0.048 0.000 2.716 167 N HA 0.137 4.877 4.740 -0.000 0.000 0.245 167 N C -2.475 173.063 175.510 0.047 0.000 1.495 167 N CA -1.655 51.423 53.050 0.048 0.000 0.759 167 N CB 1.234 39.744 38.487 0.038 0.000 1.261 167 N HN -0.213 nan 8.380 nan 0.000 0.515 168 P HA 0.084 nan 4.420 nan 0.000 0.219 168 P C 0.166 177.491 177.300 0.041 0.000 1.150 168 P CA 0.344 63.477 63.100 0.054 0.000 0.814 168 P CB 0.152 31.900 31.700 0.080 0.000 0.787 169 c N 2.452 121.095 118.600 0.072 0.000 2.409 169 c HA 0.012 4.582 4.570 -0.000 0.000 0.398 169 c C -1.914 172.152 174.090 -0.040 0.000 1.507 169 c CA -0.453 55.927 56.329 0.084 0.000 1.460 169 c CB -1.149 41.451 42.510 0.151 0.000 2.472 169 c HN 0.231 nan 8.230 nan 0.000 0.614 170 P HA 0.170 nan 4.420 nan 0.000 0.274 170 P C 0.496 177.654 177.300 -0.238 0.000 1.291 170 P CA 0.881 63.806 63.100 -0.292 0.000 0.815 170 P CB 0.457 31.861 31.700 -0.494 0.000 0.897 171 N N 3.530 122.170 118.700 -0.099 0.000 1.942 171 N HA -0.232 4.508 4.740 -0.000 0.000 0.211 171 N C 0.885 176.398 175.510 0.006 0.000 1.207 171 N CA 2.332 55.354 53.050 -0.046 0.000 3.569 171 N CB -1.288 37.164 38.487 -0.057 0.000 0.738 171 N HN 0.281 nan 8.380 nan 0.000 0.356 172 K N 0.680 121.107 120.400 0.045 0.000 2.098 172 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 172 K C -0.235 176.415 176.600 0.082 0.000 1.051 172 K CA 0.818 57.163 56.287 0.096 0.000 0.957 172 K CB -0.025 32.590 32.500 0.191 0.000 0.738 172 K HN 0.419 nan 8.250 nan 0.000 0.447 173 E N 1.193 121.449 120.200 0.093 0.000 2.210 173 E HA -0.203 4.147 4.350 -0.000 0.000 0.201 173 E C -0.520 176.120 176.600 0.067 0.000 1.339 173 E CA 0.525 56.969 56.400 0.074 0.000 0.699 173 E CB -1.223 28.503 29.700 0.044 0.000 1.126 173 E HN 0.432 nan 8.360 nan 0.000 0.355 174 K N 0.719 121.169 120.400 0.083 0.000 3.100 174 K HA 0.190 4.510 4.320 -0.000 0.000 0.256 174 K C 0.079 176.702 176.600 0.038 0.000 1.146 174 K CA -0.097 56.221 56.287 0.052 0.000 1.233 174 K CB 0.463 32.990 32.500 0.045 0.000 1.226 174 K HN 0.131 nan 8.250 nan 0.000 0.442 175 E N 0.222 120.446 120.200 0.040 0.000 2.340 175 E HA -0.214 4.136 4.350 -0.000 0.000 0.240 175 E C -0.430 176.189 176.600 0.032 0.000 1.154 175 E CA 0.558 56.975 56.400 0.029 0.000 0.717 175 E CB -2.270 27.437 29.700 0.012 0.000 1.250 175 E HN 0.742 nan 8.360 nan 0.000 0.386 176 c N 0.506 119.141 118.600 0.058 0.000 2.605 176 c HA 0.551 5.121 4.570 -0.000 0.000 0.404 176 c C 1.184 175.314 174.090 0.067 0.000 1.284 176 c CA -0.144 56.227 56.329 0.069 0.000 2.199 176 c CB 0.592 43.172 42.510 0.117 0.000 2.647 176 c HN 0.579 nan 8.230 nan 0.000 0.604 177 Q N 2.447 122.284 119.800 0.061 0.000 2.454 177 Q HA 0.422 4.762 4.340 -0.000 0.000 0.247 177 Q C -2.454 173.614 176.000 0.113 0.000 1.028 177 Q CA -0.972 54.856 55.803 0.042 0.000 0.910 177 Q CB -0.371 28.342 28.738 -0.042 0.000 1.276 177 Q HN 0.567 nan 8.270 nan 0.000 0.489 178 P HA 0.072 nan 4.420 nan 0.000 0.267 178 P C -2.441 175.022 177.300 0.271 0.000 1.200 178 P CA -0.888 62.295 63.100 0.137 0.000 0.772 178 P CB -0.390 31.365 31.700 0.091 0.000 0.855 179 P HA 0.021 nan 4.420 nan 0.000 0.261 179 P C -0.682 176.844 177.300 0.378 0.000 1.183 179 P CA 0.771 64.026 63.100 0.259 0.000 0.761 179 P CB -0.164 31.622 31.700 0.143 0.000 0.785 180 F N 1.384 121.444 119.950 0.184 0.000 3.043 180 F HA 0.900 5.427 4.527 -0.000 0.000 0.357 180 F C 0.604 176.542 175.800 0.230 0.000 1.302 180 F CA -0.821 57.376 58.000 0.328 0.000 1.069 180 F CB 0.356 39.543 39.000 0.311 0.000 1.539 180 F HN 0.188 nan 8.300 nan 0.000 0.505 181 A N -0.778 122.081 122.820 0.065 0.000 1.806 181 A HA 0.442 4.761 4.320 -0.000 0.000 0.193 181 A C -0.963 176.627 177.584 0.010 0.000 1.883 181 A CA 0.253 52.059 52.037 -0.386 0.000 1.434 181 A CB 0.203 18.628 19.000 -0.958 0.000 1.505 181 A HN 0.863 nan 8.150 nan 0.000 0.364 182 F N 0.588 120.585 119.950 0.079 0.000 2.839 182 F HA 0.634 5.161 4.527 -0.000 0.000 0.344 182 F C -0.891 175.205 175.800 0.493 0.000 1.242 182 F CA -0.451 57.736 58.000 0.312 0.000 1.091 182 F CB 1.264 40.330 39.000 0.110 0.000 1.374 182 F HN 0.069 nan 8.300 nan 0.000 0.553 183 R N 4.247 124.662 120.500 -0.142 0.000 2.412 183 R HA 0.241 4.581 4.340 -0.000 0.000 0.304 183 R C -1.271 174.798 176.300 -0.385 0.000 1.066 183 R CA -0.858 55.112 56.100 -0.216 0.000 0.923 183 R CB 0.425 30.615 30.300 -0.184 0.000 1.156 183 R HN 0.797 nan 8.270 nan 0.000 0.513 184 H N 4.079 122.825 119.070 -0.539 0.000 3.432 184 H HA 0.038 4.594 4.556 -0.000 0.000 0.252 184 H C 0.707 175.995 175.328 -0.067 0.000 1.397 184 H CA 0.115 56.013 56.048 -0.250 0.000 1.549 184 H CB 0.301 30.033 29.762 -0.050 0.000 1.699 184 H HN 0.408 nan 8.280 nan 0.000 0.523 185 V N 4.535 124.315 119.914 -0.223 0.000 2.323 185 V HA -0.088 4.032 4.120 -0.000 0.000 0.244 185 V C 0.972 176.906 176.094 -0.266 0.000 1.041 185 V CA 1.072 63.271 62.300 -0.169 0.000 1.025 185 V CB -0.217 31.570 31.823 -0.060 0.000 0.656 185 V HN 0.536 nan 8.190 nan 0.000 0.451 186 L N 0.158 121.158 121.223 -0.371 0.000 2.385 186 L HA 0.446 4.786 4.340 -0.000 0.000 0.273 186 L C -0.230 176.494 176.870 -0.244 0.000 0.990 186 L CA -0.279 54.403 54.840 -0.263 0.000 0.821 186 L CB 2.199 44.080 42.059 -0.296 0.000 1.279 186 L HN 0.036 nan 8.230 nan 0.000 0.412 187 K N 2.514 122.924 120.400 0.017 0.000 2.090 187 K HA 0.507 4.827 4.320 -0.000 0.000 0.250 187 K C -0.566 176.112 176.600 0.130 0.000 1.004 187 K CA -0.696 55.722 56.287 0.219 0.000 0.919 187 K CB 0.867 33.509 32.500 0.236 0.000 1.045 187 K HN 0.494 nan 8.250 nan 0.000 0.471 188 L N 3.519 124.772 121.223 0.049 0.000 2.597 188 L HA 0.077 4.417 4.340 -0.000 0.000 0.271 188 L C 0.278 177.140 176.870 -0.013 0.000 1.157 188 L CA 0.007 54.821 54.840 -0.043 0.000 0.928 188 L CB -0.384 41.571 42.059 -0.173 0.000 1.216 188 L HN 0.779 nan 8.230 nan 0.000 0.481 189 T N -1.658 112.888 114.554 -0.014 0.000 2.887 189 T HA 0.372 4.722 4.350 -0.000 0.000 0.292 189 T C 0.637 175.316 174.700 -0.035 0.000 1.087 189 T CA -0.965 61.135 62.100 -0.001 0.000 1.009 189 T CB 1.854 70.750 68.868 0.046 0.000 1.203 189 T HN 0.293 nan 8.240 nan 0.000 0.518 190 N N 1.339 120.028 118.700 -0.017 0.000 2.173 190 N HA -0.001 4.739 4.740 -0.000 0.000 0.184 190 N C 0.621 176.113 175.510 -0.031 0.000 1.025 190 N CA 0.795 53.830 53.050 -0.025 0.000 0.852 190 N CB -0.827 37.654 38.487 -0.010 0.000 0.998 190 N HN 0.840 nan 8.380 nan 0.000 0.427 191 N N 0.633 119.327 118.700 -0.010 0.000 2.305 191 N HA -0.052 4.687 4.740 -0.000 0.000 0.232 191 N C 0.783 176.289 175.510 -0.008 0.000 1.274 191 N CA 0.535 53.584 53.050 -0.002 0.000 0.870 191 N CB 0.411 38.908 38.487 0.017 0.000 1.105 191 N HN 0.155 nan 8.380 nan 0.000 0.436 192 S N -0.723 114.977 115.700 -0.000 0.000 2.830 192 S HA -0.028 4.442 4.470 -0.000 0.000 0.249 192 S C 1.259 175.892 174.600 0.055 0.000 1.084 192 S CA 0.025 58.225 58.200 0.000 0.000 0.852 192 S CB -0.492 62.689 63.200 -0.032 0.000 0.802 192 S HN 0.691 nan 8.310 nan 0.000 0.481 193 N N 2.258 120.973 118.700 0.025 0.000 2.216 193 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 193 N C 1.725 177.241 175.510 0.010 0.000 1.017 193 N CA 1.649 54.705 53.050 0.011 0.000 0.861 193 N CB -0.781 37.702 38.487 -0.007 0.000 0.986 193 N HN 0.502 nan 8.380 nan 0.000 0.428 194 Q N 0.010 119.824 119.800 0.023 0.000 2.224 194 Q HA -0.004 4.336 4.340 -0.000 0.000 0.203 194 Q C 1.643 177.646 176.000 0.005 0.000 0.970 194 Q CA 0.905 56.711 55.803 0.005 0.000 0.865 194 Q CB -0.576 28.171 28.738 0.014 0.000 0.922 194 Q HN 0.435 nan 8.270 nan 0.000 0.445 195 F N 0.357 120.246 119.950 -0.102 0.000 2.163 195 F HA -0.076 4.451 4.527 -0.000 0.000 0.297 195 F C 1.966 177.658 175.800 -0.180 0.000 1.094 195 F CA 1.532 59.452 58.000 -0.132 0.000 1.290 195 F CB -0.029 38.902 39.000 -0.114 0.000 1.017 195 F HN 0.135 nan 8.300 nan 0.000 0.483 196 Q N -0.499 119.299 119.800 -0.003 0.000 2.050 196 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 196 Q C 2.226 178.096 176.000 -0.218 0.000 0.980 196 Q CA 2.491 58.223 55.803 -0.119 0.000 0.840 196 Q CB -0.696 28.013 28.738 -0.048 0.000 0.898 196 Q HN 0.544 nan 8.270 nan 0.000 0.424 197 T N -0.926 113.530 114.554 -0.163 0.000 2.867 197 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 197 T C 1.586 176.157 174.700 -0.215 0.000 1.057 197 T CA 0.841 62.844 62.100 -0.161 0.000 1.136 197 T CB -0.019 68.784 68.868 -0.109 0.000 0.874 197 T HN 0.076 nan 8.240 nan 0.000 0.466 198 E N 0.604 120.641 120.200 -0.273 0.000 2.418 198 E HA 0.064 4.414 4.350 -0.000 0.000 0.197 198 E C 2.112 178.460 176.600 -0.420 0.000 1.026 198 E CA 0.246 56.459 56.400 -0.311 0.000 0.862 198 E CB 0.042 29.550 29.700 -0.321 0.000 0.799 198 E HN 0.466 nan 8.360 nan 0.000 0.518 199 V N -0.059 119.546 119.914 -0.515 0.000 2.326 199 V HA -0.040 4.080 4.120 -0.000 0.000 0.238 199 V C 2.368 178.212 176.094 -0.417 0.000 1.038 199 V CA 1.610 63.527 62.300 -0.638 0.000 1.032 199 V CB -0.900 30.442 31.823 -0.802 0.000 0.675 199 V HN 0.278 nan 8.190 nan 0.000 0.467 200 G N 0.371 108.981 108.800 -0.316 0.000 2.550 200 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.222 200 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.222 200 G C 1.530 176.319 174.900 -0.185 0.000 1.113 200 G CA 1.610 46.579 45.100 -0.218 0.000 0.748 200 G HN 0.528 nan 8.290 nan 0.000 0.585 201 K N 0.368 120.650 120.400 -0.197 0.000 1.990 201 K HA -0.202 4.117 4.320 -0.000 0.000 0.225 201 K C 1.104 177.617 176.600 -0.146 0.000 1.053 201 K CA 1.300 57.491 56.287 -0.160 0.000 0.982 201 K CB -0.348 32.048 32.500 -0.173 0.000 0.734 201 K HN 0.433 nan 8.250 nan 0.000 0.448 202 Q N 1.002 120.700 119.800 -0.171 0.000 2.364 202 Q HA 0.168 4.508 4.340 -0.000 0.000 0.267 202 Q C -0.216 175.719 176.000 -0.107 0.000 0.999 202 Q CA -0.142 55.575 55.803 -0.144 0.000 0.886 202 Q CB 0.914 29.549 28.738 -0.173 0.000 1.243 202 Q HN 0.290 nan 8.270 nan 0.000 0.415 203 L N 2.042 123.225 121.223 -0.068 0.000 2.347 203 L HA 0.508 4.848 4.340 -0.000 0.000 0.268 203 L C 0.616 177.500 176.870 0.022 0.000 1.019 203 L CA -1.081 53.739 54.840 -0.033 0.000 0.806 203 L CB 0.731 42.776 42.059 -0.023 0.000 1.339 203 L HN 0.631 nan 8.230 nan 0.000 0.463 204 I N -2.526 118.067 120.570 0.038 0.000 3.363 204 I HA 0.243 4.413 4.170 -0.000 0.000 0.234 204 I C 0.565 176.790 176.117 0.181 0.000 1.263 204 I CA 0.109 61.470 61.300 0.102 0.000 0.921 204 I CB 0.583 38.608 38.000 0.040 0.000 1.614 204 I HN 0.577 nan 8.210 nan 0.000 0.879 205 S N -0.927 114.904 115.700 0.218 0.000 4.297 205 S HA 0.861 5.331 4.470 -0.000 0.000 0.226 205 S C -0.406 174.301 174.600 0.178 0.000 1.134 205 S CA -0.169 58.169 58.200 0.229 0.000 1.591 205 S CB 0.770 64.173 63.200 0.338 0.000 1.393 205 S HN 1.406 nan 8.310 nan 0.000 0.727 206 G N 1.215 110.090 108.800 0.125 0.000 2.340 206 G HA2 0.445 4.404 3.960 -0.000 0.000 0.298 206 G HA3 0.445 4.404 3.960 -0.000 0.000 0.298 206 G C -2.084 172.859 174.900 0.070 0.000 1.498 206 G CA -0.100 45.061 45.100 0.103 0.000 0.847 206 G HN 1.121 nan 8.290 nan 0.000 0.594 207 N N -1.275 117.466 118.700 0.068 0.000 3.039 207 N HA 0.587 5.327 4.740 -0.000 0.000 0.257 207 N C 0.339 175.887 175.510 0.063 0.000 1.497 207 N CA -0.914 52.178 53.050 0.071 0.000 0.861 207 N CB 0.780 39.318 38.487 0.086 0.000 1.479 207 N HN 0.400 nan 8.380 nan 0.000 0.547 208 L N -0.708 120.553 121.223 0.063 0.000 2.129 208 L HA 0.144 4.483 4.340 -0.000 0.000 0.200 208 L C 0.117 177.007 176.870 0.033 0.000 1.159 208 L CA 0.480 55.342 54.840 0.036 0.000 0.795 208 L CB -0.667 41.404 42.059 0.020 0.000 0.951 208 L HN 0.767 nan 8.230 nan 0.000 0.463 209 D N 1.015 121.424 120.400 0.015 0.000 2.548 209 D HA -0.086 4.554 4.640 -0.000 0.000 0.231 209 D C 0.765 177.115 176.300 0.083 0.000 1.142 209 D CA 0.701 54.705 54.000 0.007 0.000 0.866 209 D CB 1.232 41.984 40.800 -0.080 0.000 1.190 209 D HN 0.288 nan 8.370 nan 0.000 0.469 210 A N 3.315 126.176 122.820 0.069 0.000 1.841 210 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 210 A C -1.302 176.366 177.584 0.141 0.000 1.195 210 A CA 0.699 52.786 52.037 0.083 0.000 0.611 210 A CB -1.601 17.424 19.000 0.042 0.000 0.835 210 A HN 0.585 nan 8.150 nan 0.000 0.443 211 P HA 0.186 nan 4.420 nan 0.000 0.270 211 P C -0.110 177.430 177.300 0.400 0.000 1.223 211 P CA -0.004 63.208 63.100 0.186 0.000 0.785 211 P CB 0.405 32.033 31.700 -0.119 0.000 0.923 212 E N 0.197 120.660 120.200 0.438 0.000 2.292 212 E HA 0.381 4.731 4.350 -0.000 0.000 0.258 212 E C 0.869 177.833 176.600 0.607 0.000 1.115 212 E CA -0.550 56.142 56.400 0.486 0.000 0.929 212 E CB 0.505 30.514 29.700 0.514 0.000 1.161 212 E HN 0.528 nan 8.360 nan 0.000 0.453 213 G N -0.316 108.769 108.800 0.475 0.000 4.291 213 G HA2 0.234 4.194 3.960 -0.000 0.000 0.304 213 G HA3 0.234 4.194 3.960 -0.000 0.000 0.304 213 G C 0.938 176.054 174.900 0.359 0.000 1.264 213 G CA 0.113 45.515 45.100 0.504 0.000 1.039 213 G HN 0.477 nan 8.290 nan 0.000 0.578 214 G N 0.799 109.829 108.800 0.382 0.000 2.462 214 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 214 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 214 G C 1.638 176.535 174.900 -0.005 0.000 1.121 214 G CA 0.469 45.588 45.100 0.031 0.000 0.758 214 G HN 0.473 nan 8.290 nan 0.000 0.559 215 L N 0.314 121.638 121.223 0.168 0.000 2.042 215 L HA -0.107 4.232 4.340 -0.000 0.000 0.210 215 L C 2.588 179.475 176.870 0.028 0.000 1.076 215 L CA 1.403 56.311 54.840 0.114 0.000 0.749 215 L CB -0.376 41.857 42.059 0.290 0.000 0.893 215 L HN 0.173 nan 8.230 nan 0.000 0.432 216 D N 0.297 120.697 120.400 -0.001 0.000 2.149 216 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 216 D C 2.116 178.287 176.300 -0.214 0.000 0.990 216 D CA 1.456 55.388 54.000 -0.114 0.000 0.839 216 D CB 0.252 40.877 40.800 -0.292 0.000 0.948 216 D HN 0.271 nan 8.370 nan 0.000 0.460 217 A N 0.610 123.290 122.820 -0.234 0.000 1.933 217 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 217 A C 2.240 179.570 177.584 -0.423 0.000 1.175 217 A CA 1.660 53.476 52.037 -0.369 0.000 0.628 217 A CB -0.450 18.473 19.000 -0.128 0.000 0.814 217 A HN 0.198 nan 8.150 nan 0.000 0.444 218 M N -0.839 118.613 119.600 -0.246 0.000 2.115 218 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 218 M C 2.328 178.479 176.300 -0.248 0.000 1.071 218 M CA 1.661 56.839 55.300 -0.203 0.000 1.100 218 M CB -1.405 31.108 32.600 -0.146 0.000 1.292 218 M HN 0.344 nan 8.290 nan 0.000 0.415 219 M N 0.145 119.621 119.600 -0.207 0.000 2.082 219 M HA -0.230 4.250 4.480 -0.000 0.000 0.258 219 M C 2.187 178.316 176.300 -0.286 0.000 1.071 219 M CA 1.840 57.023 55.300 -0.195 0.000 1.103 219 M CB -1.551 30.989 32.600 -0.100 0.000 1.307 219 M HN 0.399 nan 8.290 nan 0.000 0.409 220 Q N -0.495 119.070 119.800 -0.392 0.000 2.217 220 Q HA -0.172 4.168 4.340 -0.000 0.000 0.209 220 Q C 2.158 177.883 176.000 -0.459 0.000 0.988 220 Q CA 1.531 57.049 55.803 -0.475 0.000 0.878 220 Q CB -0.412 27.941 28.738 -0.642 0.000 0.909 220 Q HN 0.353 nan 8.270 nan 0.000 0.424 221 V N 0.885 120.486 119.914 -0.521 0.000 2.216 221 V HA -0.212 3.908 4.120 -0.000 0.000 0.242 221 V C 1.378 177.379 176.094 -0.154 0.000 1.042 221 V CA 1.736 63.881 62.300 -0.258 0.000 0.991 221 V CB -0.659 31.021 31.823 -0.238 0.000 0.633 221 V HN 0.376 nan 8.190 nan 0.000 0.449 222 A N -0.992 121.672 122.820 -0.259 0.000 3.135 222 A HA 0.642 4.962 4.320 -0.000 0.000 0.253 222 A C 1.092 178.516 177.584 -0.265 0.000 1.638 222 A CA 0.725 52.553 52.037 -0.349 0.000 1.295 222 A CB -0.414 18.316 19.000 -0.451 0.000 1.106 222 A HN 0.557 nan 8.150 nan 0.000 0.648 223 A N -0.673 122.023 122.820 -0.206 0.000 1.964 223 A HA 0.333 4.653 4.320 -0.000 0.000 0.198 223 A C 0.966 178.456 177.584 -0.156 0.000 1.599 223 A CA 1.057 52.980 52.037 -0.190 0.000 0.968 223 A CB -0.055 18.811 19.000 -0.224 0.000 1.029 223 A HN 1.406 nan 8.150 nan 0.000 0.508 224 c N -2.587 115.939 118.600 -0.122 0.000 3.452 224 c HA 0.593 5.162 4.570 -0.000 0.000 0.251 224 c C -2.623 171.461 174.090 -0.009 0.000 1.160 224 c CA -1.643 54.638 56.329 -0.080 0.000 1.328 224 c CB 0.145 42.584 42.510 -0.118 0.000 1.819 224 c HN 0.204 nan 8.230 nan 0.000 0.543 225 P HA -0.005 nan 4.420 nan 0.000 0.244 225 P C 1.229 178.578 177.300 0.082 0.000 1.211 225 P CA 1.157 64.352 63.100 0.159 0.000 0.760 225 P CB -0.000 31.876 31.700 0.294 0.000 0.961 226 E N -0.088 120.133 120.200 0.034 0.000 2.478 226 E HA -0.119 4.231 4.350 -0.000 0.000 0.198 226 E C 0.938 177.549 176.600 0.018 0.000 1.046 226 E CA 0.773 57.187 56.400 0.024 0.000 0.870 226 E CB 0.011 29.718 29.700 0.011 0.000 0.818 226 E HN 0.502 nan 8.360 nan 0.000 0.527 227 E N -1.016 119.189 120.200 0.009 0.000 2.603 227 E HA 0.162 4.512 4.350 -0.000 0.000 0.224 227 E C 1.395 177.968 176.600 -0.045 0.000 0.896 227 E CA -0.023 56.374 56.400 -0.005 0.000 1.224 227 E CB 0.753 30.450 29.700 -0.005 0.000 1.206 227 E HN 0.107 nan 8.360 nan 0.000 0.576 228 I N 0.278 120.816 120.570 -0.053 0.000 3.883 228 I HA 0.225 4.394 4.170 -0.000 0.000 0.305 228 I C 0.823 176.903 176.117 -0.062 0.000 1.247 228 I CA 0.382 61.582 61.300 -0.166 0.000 1.350 228 I CB 0.833 38.735 38.000 -0.163 0.000 1.194 228 I HN 0.099 nan 8.210 nan 0.000 0.441 229 G N 1.116 109.940 108.800 0.040 0.000 2.850 229 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.686 229 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.686 229 G C -1.362 173.513 174.900 -0.042 0.000 1.164 229 G CA -0.717 44.409 45.100 0.042 0.000 0.826 229 G HN 0.225 nan 8.290 nan 0.000 0.586 230 W N 1.247 122.565 121.300 0.031 0.000 3.372 230 W HA 0.635 5.295 4.660 -0.000 0.000 0.315 230 W C 0.163 176.698 176.519 0.028 0.000 1.223 230 W CA -1.125 56.239 57.345 0.031 0.000 1.202 230 W CB 1.619 31.077 29.460 -0.003 0.000 1.367 230 W HN 0.832 nan 8.180 nan 0.000 0.531 231 R N 1.669 122.346 120.500 0.296 0.000 2.694 231 R HA 0.080 4.420 4.340 -0.000 0.000 0.268 231 R C 0.760 177.168 176.300 0.181 0.000 1.061 231 R CA 0.445 56.660 56.100 0.191 0.000 1.133 231 R CB 0.359 30.758 30.300 0.164 0.000 1.020 231 R HN 0.417 nan 8.270 nan 0.000 0.475 232 N N 1.612 120.380 118.700 0.113 0.000 2.313 232 N HA 0.073 4.813 4.740 -0.000 0.000 0.207 232 N C -0.291 175.250 175.510 0.053 0.000 1.141 232 N CA 0.095 53.190 53.050 0.074 0.000 0.830 232 N CB 0.384 38.903 38.487 0.053 0.000 1.008 232 N HN 0.365 nan 8.380 nan 0.000 0.481 233 V N -1.898 118.061 119.914 0.076 0.000 3.949 233 V HA 0.312 4.432 4.120 -0.000 0.000 0.195 233 V C 0.546 176.677 176.094 0.062 0.000 1.114 233 V CA 0.234 62.565 62.300 0.052 0.000 1.384 233 V CB 0.128 32.005 31.823 0.091 0.000 1.685 233 V HN 0.065 nan 8.190 nan 0.000 0.492 234 T N 1.726 116.351 114.554 0.119 0.000 2.925 234 T HA 0.677 5.027 4.350 -0.000 0.000 0.285 234 T C -0.615 174.185 174.700 0.166 0.000 1.021 234 T CA -0.401 61.771 62.100 0.119 0.000 1.042 234 T CB 1.248 70.218 68.868 0.170 0.000 1.037 234 T HN 0.311 nan 8.240 nan 0.000 0.481 235 R N 1.793 122.360 120.500 0.112 0.000 2.810 235 R HA 0.346 4.686 4.340 -0.000 0.000 0.280 235 R C -1.794 174.555 176.300 0.083 0.000 1.517 235 R CA -0.711 55.508 56.100 0.199 0.000 1.063 235 R CB 0.685 30.949 30.300 -0.060 0.000 1.275 235 R HN 0.260 nan 8.270 nan 0.000 0.464 236 L N 3.301 124.616 121.223 0.153 0.000 2.307 236 L HA 0.513 4.853 4.340 -0.000 0.000 0.284 236 L C -0.475 176.485 176.870 0.149 0.000 1.023 236 L CA -0.561 54.315 54.840 0.060 0.000 0.810 236 L CB 1.327 43.385 42.059 -0.001 0.000 1.231 236 L HN 0.347 nan 8.230 nan 0.000 0.423 237 L N 2.861 124.123 121.223 0.066 0.000 2.298 237 L HA 0.791 5.131 4.340 -0.000 0.000 0.268 237 L C -0.703 176.177 176.870 0.016 0.000 1.010 237 L CA -0.704 54.208 54.840 0.120 0.000 0.812 237 L CB 2.146 44.257 42.059 0.086 0.000 1.331 237 L HN 0.298 nan 8.230 nan 0.000 0.450 238 V N 0.999 120.929 119.914 0.027 0.000 2.655 238 V HA 0.450 4.570 4.120 -0.000 0.000 0.301 238 V C -1.506 174.545 176.094 -0.072 0.000 1.082 238 V CA -0.478 61.782 62.300 -0.067 0.000 0.899 238 V CB 1.404 33.178 31.823 -0.081 0.000 1.014 238 V HN 0.489 nan 8.190 nan 0.000 0.429 239 F N 5.993 125.809 119.950 -0.222 0.000 2.396 239 F HA 0.816 5.343 4.527 -0.000 0.000 0.343 239 F C 0.442 176.177 175.800 -0.109 0.000 1.104 239 F CA 0.384 58.298 58.000 -0.143 0.000 1.161 239 F CB 1.547 40.429 39.000 -0.196 0.000 1.146 239 F HN 0.779 nan 8.300 nan 0.000 0.522 240 A N 4.018 126.591 122.820 -0.412 0.000 2.414 240 A HA 0.643 4.963 4.320 -0.000 0.000 0.286 240 A C -0.799 176.653 177.584 -0.220 0.000 1.073 240 A CA -0.376 51.519 52.037 -0.237 0.000 0.727 240 A CB 1.376 20.209 19.000 -0.277 0.000 1.215 240 A HN 0.723 nan 8.150 nan 0.000 0.430 241 T N 1.167 115.709 114.554 -0.020 0.000 3.289 241 T HA 0.394 4.744 4.350 -0.000 0.000 0.370 241 T C -1.744 173.070 174.700 0.190 0.000 1.546 241 T CA -0.049 62.096 62.100 0.076 0.000 1.144 241 T CB 0.950 69.930 68.868 0.185 0.000 1.379 241 T HN 0.777 nan 8.240 nan 0.000 0.478 242 D N 2.756 123.247 120.400 0.151 0.000 2.889 242 D HA 0.381 5.021 4.640 -0.000 0.000 0.243 242 D C -0.117 176.291 176.300 0.181 0.000 1.270 242 D CA -0.188 53.908 54.000 0.161 0.000 0.838 242 D CB 0.147 41.014 40.800 0.112 0.000 1.040 242 D HN 0.414 nan 8.370 nan 0.000 0.480 243 D N -1.332 119.220 120.400 0.255 0.000 2.643 243 D HA 0.411 5.051 4.640 -0.000 0.000 0.283 243 D C 0.637 177.149 176.300 0.353 0.000 1.242 243 D CA -0.828 53.325 54.000 0.255 0.000 0.863 243 D CB 1.253 42.197 40.800 0.240 0.000 1.382 243 D HN 0.142 nan 8.370 nan 0.000 0.444 244 G N -0.549 108.421 108.800 0.284 0.000 2.481 244 G HA2 0.499 4.459 3.960 -0.000 0.000 0.251 244 G HA3 0.499 4.459 3.960 -0.000 0.000 0.251 244 G C -0.721 174.511 174.900 0.554 0.000 1.492 244 G CA -0.058 45.232 45.100 0.317 0.000 1.060 244 G HN 0.430 nan 8.290 nan 0.000 0.553 245 F N -2.787 117.208 119.950 0.075 0.000 2.670 245 F HA 0.504 5.031 4.527 -0.000 0.000 0.332 245 F C -1.270 174.508 175.800 -0.037 0.000 1.179 245 F CA -1.571 56.529 58.000 0.165 0.000 1.076 245 F CB 0.131 39.262 39.000 0.219 0.000 1.322 245 F HN 0.414 nan 8.300 nan 0.000 0.515 246 H N 3.786 122.832 119.070 -0.041 0.000 2.527 246 H HA 0.657 5.213 4.556 -0.000 0.000 0.321 246 H C -0.429 174.728 175.328 -0.286 0.000 1.087 246 H CA -0.095 55.676 56.048 -0.462 0.000 1.337 246 H CB 1.032 30.468 29.762 -0.542 0.000 1.440 246 H HN 0.585 nan 8.280 nan 0.000 0.490 247 F N 0.167 120.051 119.950 -0.111 0.000 2.671 247 F HA 0.778 5.305 4.527 -0.000 0.000 0.373 247 F C 0.475 176.278 175.800 0.006 0.000 1.122 247 F CA -1.851 56.166 58.000 0.028 0.000 1.082 247 F CB 0.059 39.068 39.000 0.015 0.000 1.399 247 F HN 0.518 nan 8.300 nan 0.000 0.509 248 A N 0.030 123.061 122.820 0.352 0.000 2.583 248 A HA 0.394 4.714 4.320 -0.000 0.000 0.231 248 A C 1.436 179.114 177.584 0.157 0.000 1.065 248 A CA 1.005 53.168 52.037 0.210 0.000 0.760 248 A CB -1.207 17.874 19.000 0.136 0.000 1.001 248 A HN 2.170 nan 8.150 nan 0.000 0.509 249 G N 0.587 109.439 108.800 0.085 0.000 2.358 249 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.224 249 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.224 249 G C 0.609 175.518 174.900 0.015 0.000 1.073 249 G CA 0.865 45.996 45.100 0.051 0.000 0.635 249 G HN 0.693 nan 8.290 nan 0.000 0.509 250 D N 1.207 121.582 120.400 -0.041 0.000 2.312 250 D HA 0.139 4.779 4.640 -0.000 0.000 0.211 250 D C 2.360 178.729 176.300 0.115 0.000 0.964 250 D CA 1.435 55.405 54.000 -0.051 0.000 0.877 250 D CB -0.800 39.899 40.800 -0.169 0.000 0.924 250 D HN 0.591 nan 8.370 nan 0.000 0.515 251 G N 0.742 109.641 108.800 0.165 0.000 2.443 251 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 251 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 251 G C 1.496 176.482 174.900 0.144 0.000 1.131 251 G CA 0.455 45.694 45.100 0.233 0.000 0.775 251 G HN 0.269 nan 8.290 nan 0.000 0.547 252 K N 0.007 120.457 120.400 0.083 0.000 2.281 252 K HA 0.037 4.357 4.320 -0.000 0.000 0.203 252 K C 2.288 178.920 176.600 0.054 0.000 1.046 252 K CA 0.555 56.873 56.287 0.053 0.000 0.938 252 K CB -0.202 32.314 32.500 0.027 0.000 0.737 252 K HN 0.357 nan 8.250 nan 0.000 0.458 253 L N -0.550 120.711 121.223 0.064 0.000 2.093 253 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 253 L C 2.080 178.999 176.870 0.082 0.000 1.085 253 L CA 1.234 56.096 54.840 0.037 0.000 0.755 253 L CB -0.310 41.729 42.059 -0.033 0.000 0.904 253 L HN 0.270 nan 8.230 nan 0.000 0.435 254 G N -1.231 107.667 108.800 0.163 0.000 3.379 254 G HA2 0.321 4.281 3.960 -0.000 0.000 0.253 254 G HA3 0.321 4.281 3.960 -0.000 0.000 0.253 254 G C 0.949 175.914 174.900 0.108 0.000 1.262 254 G CA 0.301 45.501 45.100 0.166 0.000 0.959 254 G HN 0.409 nan 8.290 nan 0.000 0.524 255 A N -0.271 122.596 122.820 0.079 0.000 2.822 255 A HA -0.197 4.123 4.320 -0.000 0.000 0.287 255 A C 0.502 178.120 177.584 0.056 0.000 1.479 255 A CA 1.195 53.267 52.037 0.058 0.000 0.779 255 A CB -2.481 16.551 19.000 0.053 0.000 1.022 255 A HN 1.398 nan 8.150 nan 0.000 0.532 256 I N -4.058 116.548 120.570 0.061 0.000 2.439 256 I HA 0.682 4.852 4.170 -0.000 0.000 0.283 256 I C 0.051 176.184 176.117 0.025 0.000 1.023 256 I CA -1.077 60.251 61.300 0.045 0.000 1.100 256 I CB 1.493 39.524 38.000 0.052 0.000 1.238 256 I HN -0.084 nan 8.210 nan 0.000 0.445 257 L N 5.114 126.345 121.223 0.013 0.000 3.110 257 L HA 0.241 4.581 4.340 -0.000 0.000 0.266 257 L C 0.709 177.571 176.870 -0.014 0.000 1.257 257 L CA 0.184 55.024 54.840 0.000 0.000 1.038 257 L CB 0.392 42.455 42.059 0.007 0.000 1.395 257 L HN 0.752 nan 8.230 nan 0.000 0.566 258 T N -1.418 113.121 114.554 -0.024 0.000 2.738 258 T HA 0.506 4.856 4.350 -0.000 0.000 0.298 258 T C -2.395 172.240 174.700 -0.109 0.000 0.962 258 T CA -1.850 60.231 62.100 -0.031 0.000 0.972 258 T CB 0.884 69.759 68.868 0.011 0.000 0.928 258 T HN -0.130 nan 8.240 nan 0.000 0.474 259 P HA 0.099 nan 4.420 nan 0.000 0.275 259 P C -0.119 177.042 177.300 -0.231 0.000 1.270 259 P CA -0.634 62.373 63.100 -0.155 0.000 0.791 259 P CB 0.572 32.231 31.700 -0.068 0.000 1.089 260 N N 1.222 119.775 118.700 -0.246 0.000 2.442 260 N HA -0.036 4.703 4.740 -0.000 0.000 0.265 260 N C 0.815 176.424 175.510 0.165 0.000 1.138 260 N CA 0.061 53.058 53.050 -0.088 0.000 0.956 260 N CB 0.280 38.760 38.487 -0.012 0.000 1.067 260 N HN 0.348 nan 8.380 nan 0.000 0.474 261 D N 3.195 123.807 120.400 0.353 0.000 2.137 261 D HA 0.012 4.652 4.640 -0.000 0.000 0.202 261 D C 1.124 177.515 176.300 0.151 0.000 0.970 261 D CA 1.408 55.534 54.000 0.210 0.000 0.837 261 D CB -0.118 40.817 40.800 0.225 0.000 0.981 261 D HN 0.725 nan 8.370 nan 0.000 0.475 262 G N 0.149 109.042 108.800 0.155 0.000 2.336 262 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.194 262 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.194 262 G C 0.281 175.156 174.900 -0.040 0.000 0.999 262 G CA -0.224 44.909 45.100 0.056 0.000 0.669 262 G HN 0.396 nan 8.290 nan 0.000 0.482 263 R N 0.593 121.056 120.500 -0.062 0.000 2.460 263 R HA 0.585 4.925 4.340 -0.000 0.000 0.303 263 R C 0.660 176.665 176.300 -0.491 0.000 0.968 263 R CA -0.051 55.908 56.100 -0.235 0.000 0.889 263 R CB 1.563 31.747 30.300 -0.193 0.000 1.123 263 R HN 0.570 nan 8.270 nan 0.000 0.455 264 c N 1.606 119.902 118.600 -0.506 0.000 2.463 264 c HA 0.460 5.030 4.570 -0.000 0.000 0.380 264 c C -0.023 173.687 174.090 -0.633 0.000 1.264 264 c CA -0.739 55.310 56.329 -0.467 0.000 2.161 264 c CB 0.213 42.556 42.510 -0.277 0.000 2.515 264 c HN 0.768 nan 8.230 nan 0.000 0.565 265 H N 4.278 123.301 119.070 -0.078 0.000 2.569 265 H HA 0.417 4.973 4.556 -0.000 0.000 0.247 265 H C -0.542 174.782 175.328 -0.007 0.000 1.346 265 H CA -0.160 55.865 56.048 -0.038 0.000 1.502 265 H CB 0.696 30.431 29.762 -0.046 0.000 1.512 265 H HN 0.778 nan 8.280 nan 0.000 0.502 266 L N -1.211 120.063 121.223 0.084 0.000 2.334 266 L HA 0.534 4.874 4.340 -0.000 0.000 0.270 266 L C 1.050 177.960 176.870 0.067 0.000 1.018 266 L CA -0.397 54.498 54.840 0.090 0.000 0.811 266 L CB 1.677 43.814 42.059 0.129 0.000 1.271 266 L HN 0.162 nan 8.230 nan 0.000 0.443 267 E N 0.375 120.605 120.200 0.050 0.000 2.508 267 E HA 0.036 4.386 4.350 -0.000 0.000 0.217 267 E C -0.694 175.924 176.600 0.029 0.000 0.896 267 E CA 0.552 56.973 56.400 0.035 0.000 1.118 267 E CB 0.633 30.346 29.700 0.022 0.000 1.133 267 E HN 0.964 nan 8.360 nan 0.000 0.526 268 D N 0.061 120.480 120.400 0.033 0.000 2.997 268 D HA 0.113 4.752 4.640 -0.000 0.000 0.362 268 D C -0.302 176.025 176.300 0.045 0.000 1.298 268 D CA -0.583 53.434 54.000 0.027 0.000 0.756 268 D CB -0.816 39.987 40.800 0.005 0.000 1.216 268 D HN -0.169 nan 8.370 nan 0.000 0.496 269 N N 0.295 119.039 118.700 0.074 0.000 2.678 269 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 269 N C -0.604 174.972 175.510 0.109 0.000 1.119 269 N CA 0.739 53.857 53.050 0.113 0.000 0.718 269 N CB -0.914 37.653 38.487 0.133 0.000 1.060 269 N HN 0.697 nan 8.380 nan 0.000 0.552 270 L N 0.217 121.515 121.223 0.124 0.000 2.543 270 L HA 0.336 4.676 4.340 -0.000 0.000 0.265 270 L C -0.234 176.741 176.870 0.175 0.000 0.945 270 L CA -1.180 53.756 54.840 0.160 0.000 0.869 270 L CB 1.059 43.146 42.059 0.047 0.000 1.294 270 L HN 0.158 nan 8.230 nan 0.000 0.405 271 Y N 3.316 123.745 120.300 0.216 0.000 2.712 271 Y HA 0.241 4.791 4.550 -0.000 0.000 0.333 271 Y C -0.155 175.803 175.900 0.097 0.000 1.225 271 Y CA 0.030 58.224 58.100 0.158 0.000 1.499 271 Y CB 0.452 39.020 38.460 0.178 0.000 1.288 271 Y HN 0.549 nan 8.280 nan 0.000 0.575 272 K N 4.127 124.470 120.400 -0.095 0.000 2.895 272 K HA 0.240 4.560 4.320 -0.000 0.000 0.200 272 K C 0.217 176.815 176.600 -0.003 0.000 1.133 272 K CA -0.271 55.916 56.287 -0.167 0.000 1.060 272 K CB 0.573 32.991 32.500 -0.136 0.000 0.735 272 K HN 0.666 nan 8.250 nan 0.000 0.451 273 R N -0.531 120.021 120.500 0.085 0.000 2.412 273 R HA 0.042 4.382 4.340 -0.000 0.000 0.212 273 R C 1.923 178.284 176.300 0.102 0.000 0.878 273 R CA 0.654 56.789 56.100 0.058 0.000 1.022 273 R CB 0.084 30.377 30.300 -0.011 0.000 1.265 273 R HN 0.166 nan 8.270 nan 0.000 0.620 274 S N 1.496 117.301 115.700 0.175 0.000 2.440 274 S HA -0.128 4.342 4.470 -0.000 0.000 0.240 274 S C 1.314 176.026 174.600 0.186 0.000 1.014 274 S CA 1.289 59.590 58.200 0.167 0.000 0.980 274 S CB -0.171 63.062 63.200 0.056 0.000 0.775 274 S HN 0.169 nan 8.310 nan 0.000 0.499 275 N N 1.920 120.729 118.700 0.181 0.000 2.207 275 N HA 0.030 4.770 4.740 -0.000 0.000 0.182 275 N C 0.417 176.000 175.510 0.122 0.000 1.020 275 N CA 1.102 54.228 53.050 0.127 0.000 0.858 275 N CB -0.377 38.175 38.487 0.109 0.000 0.991 275 N HN 0.590 nan 8.380 nan 0.000 0.427 276 E N -0.093 120.190 120.200 0.139 0.000 2.354 276 E HA 0.254 4.604 4.350 -0.000 0.000 0.252 276 E C -1.000 175.731 176.600 0.217 0.000 1.330 276 E CA -0.223 56.256 56.400 0.132 0.000 1.658 276 E CB -0.403 29.353 29.700 0.094 0.000 1.460 276 E HN 0.216 nan 8.360 nan 0.000 0.435 277 F N -0.172 119.779 119.950 0.001 0.000 2.704 277 F HA 0.299 4.826 4.527 -0.000 0.000 0.312 277 F C -1.768 174.008 175.800 -0.040 0.000 1.108 277 F CA -1.204 56.789 58.000 -0.012 0.000 1.005 277 F CB 1.393 40.385 39.000 -0.013 0.000 1.277 277 F HN -0.144 nan 8.300 nan 0.000 0.445 278 D N 2.562 122.438 120.400 -0.874 0.000 2.340 278 D HA 0.297 4.937 4.640 -0.000 0.000 0.251 278 D C -0.982 174.848 176.300 -0.784 0.000 1.080 278 D CA 0.082 53.745 54.000 -0.561 0.000 0.971 278 D CB 0.848 41.473 40.800 -0.293 0.000 1.137 278 D HN 0.464 nan 8.370 nan 0.000 0.475 279 Y N 0.758 120.871 120.300 -0.312 0.000 2.597 279 Y HA 0.177 4.727 4.550 -0.000 0.000 0.336 279 Y C -1.460 174.376 175.900 -0.106 0.000 1.216 279 Y CA -1.266 56.757 58.100 -0.128 0.000 1.463 279 Y CB 0.326 38.783 38.460 -0.004 0.000 1.303 279 Y HN 0.260 nan 8.280 nan 0.000 0.576 280 P HA -0.014 nan 4.420 nan 0.000 0.267 280 P C -0.586 176.807 177.300 0.154 0.000 1.209 280 P CA -0.210 62.964 63.100 0.123 0.000 0.763 280 P CB 0.516 32.295 31.700 0.132 0.000 0.816 281 S N 2.266 118.021 115.700 0.092 0.000 2.569 281 S HA -0.028 4.442 4.470 -0.000 0.000 0.274 281 S C 1.421 176.060 174.600 0.064 0.000 1.353 281 S CA -0.308 57.941 58.200 0.082 0.000 1.023 281 S CB 0.322 63.534 63.200 0.021 0.000 0.876 281 S HN 0.311 nan 8.310 nan 0.000 0.540 282 V N 2.651 122.566 119.914 0.002 0.000 2.332 282 V HA -0.015 4.105 4.120 -0.000 0.000 0.248 282 V C 2.112 178.184 176.094 -0.036 0.000 1.055 282 V CA 2.633 64.906 62.300 -0.046 0.000 1.038 282 V CB -1.414 30.276 31.823 -0.220 0.000 0.651 282 V HN 1.085 nan 8.190 nan 0.000 0.450 283 G N -1.592 107.178 108.800 -0.050 0.000 2.920 283 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.208 283 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.208 283 G C 1.296 176.182 174.900 -0.024 0.000 1.159 283 G CA 0.533 45.605 45.100 -0.047 0.000 0.784 283 G HN 0.615 nan 8.290 nan 0.000 0.535 284 Q N -0.376 119.421 119.800 -0.005 0.000 2.444 284 Q HA 0.260 4.600 4.340 -0.000 0.000 0.206 284 Q C 1.730 177.745 176.000 0.025 0.000 0.948 284 Q CA 0.189 56.001 55.803 0.015 0.000 0.946 284 Q CB -0.026 28.726 28.738 0.025 0.000 1.027 284 Q HN 0.504 nan 8.270 nan 0.000 0.513 285 L N -1.437 119.785 121.223 -0.002 0.000 2.435 285 L HA 0.279 4.619 4.340 -0.000 0.000 0.195 285 L C 2.258 179.094 176.870 -0.056 0.000 1.072 285 L CA 0.593 55.409 54.840 -0.039 0.000 0.833 285 L CB -0.568 41.457 42.059 -0.057 0.000 1.081 285 L HN 0.138 nan 8.230 nan 0.000 0.485 286 A N -0.533 122.257 122.820 -0.050 0.000 2.148 286 A HA -0.283 4.037 4.320 -0.000 0.000 0.222 286 A C 2.088 179.639 177.584 -0.054 0.000 1.161 286 A CA 1.952 53.945 52.037 -0.074 0.000 0.662 286 A CB -0.957 17.999 19.000 -0.073 0.000 0.799 286 A HN 0.569 nan 8.150 nan 0.000 0.466 287 H N -1.015 117.988 119.070 -0.112 0.000 2.283 287 H HA 0.019 4.574 4.556 -0.000 0.000 0.320 287 H C 2.161 177.422 175.328 -0.111 0.000 1.074 287 H CA 1.509 57.493 56.048 -0.106 0.000 1.476 287 H CB -0.070 29.640 29.762 -0.086 0.000 1.465 287 H HN 0.321 nan 8.280 nan 0.000 0.573 288 K N 1.052 121.381 120.400 -0.118 0.000 2.044 288 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 288 K C 2.444 178.904 176.600 -0.232 0.000 1.049 288 K CA 1.590 57.763 56.287 -0.191 0.000 0.927 288 K CB -0.947 31.523 32.500 -0.049 0.000 0.713 288 K HN 0.254 nan 8.250 nan 0.000 0.443 289 L N 0.496 121.605 121.223 -0.191 0.000 1.970 289 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 289 L C 2.092 178.814 176.870 -0.246 0.000 1.071 289 L CA 2.519 57.225 54.840 -0.223 0.000 0.751 289 L CB -1.173 40.772 42.059 -0.191 0.000 0.889 289 L HN 0.256 nan 8.230 nan 0.000 0.432 290 A N -1.473 121.210 122.820 -0.227 0.000 2.172 290 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 290 A C 2.243 179.684 177.584 -0.238 0.000 1.154 290 A CA 1.375 53.276 52.037 -0.227 0.000 0.701 290 A CB -0.709 18.167 19.000 -0.207 0.000 0.789 290 A HN 0.685 nan 8.150 nan 0.000 0.465 291 E N 0.108 120.139 120.200 -0.283 0.000 2.122 291 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 291 E C 0.512 176.976 176.600 -0.227 0.000 0.977 291 E CA 0.791 57.025 56.400 -0.276 0.000 0.820 291 E CB -0.034 29.445 29.700 -0.368 0.000 0.770 291 E HN 0.507 nan 8.360 nan 0.000 0.462 292 N N 1.308 119.854 118.700 -0.256 0.000 2.313 292 N HA 0.035 4.775 4.740 -0.000 0.000 0.207 292 N C -0.841 174.500 175.510 -0.282 0.000 1.141 292 N CA 0.245 53.132 53.050 -0.272 0.000 0.830 292 N CB 0.001 38.280 38.487 -0.347 0.000 1.008 292 N HN 0.224 nan 8.380 nan 0.000 0.481 293 N N 0.032 118.586 118.700 -0.243 0.000 2.740 293 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 293 N C -1.085 174.265 175.510 -0.266 0.000 1.062 293 N CA 0.335 53.245 53.050 -0.233 0.000 0.704 293 N CB -1.158 37.222 38.487 -0.178 0.000 0.968 293 N HN 0.354 nan 8.380 nan 0.000 0.547 294 I N 0.468 120.858 120.570 -0.300 0.000 2.493 294 I HA 0.323 4.493 4.170 -0.000 0.000 0.298 294 I C -0.230 175.739 176.117 -0.246 0.000 0.998 294 I CA -0.618 60.499 61.300 -0.305 0.000 1.137 294 I CB 1.686 39.435 38.000 -0.418 0.000 1.310 294 I HN 0.003 nan 8.210 nan 0.000 0.445 295 Q N 6.011 125.686 119.800 -0.208 0.000 2.444 295 Q HA 0.394 4.733 4.340 -0.000 0.000 0.251 295 Q C -2.565 173.306 176.000 -0.216 0.000 0.939 295 Q CA -1.831 53.846 55.803 -0.210 0.000 0.740 295 Q CB 2.045 30.667 28.738 -0.194 0.000 1.308 295 Q HN 0.244 nan 8.270 nan 0.000 0.461 296 P HA 0.199 nan 4.420 nan 0.000 0.271 296 P C -0.220 176.811 177.300 -0.448 0.000 1.233 296 P CA 0.011 62.905 63.100 -0.343 0.000 0.789 296 P CB 0.775 32.190 31.700 -0.476 0.000 0.951 297 I N 1.671 122.012 120.570 -0.382 0.000 2.495 297 I HA 0.234 4.404 4.170 -0.000 0.000 0.277 297 I C -0.329 175.628 176.117 -0.267 0.000 1.045 297 I CA -0.752 60.363 61.300 -0.307 0.000 1.135 297 I CB 0.350 38.265 38.000 -0.142 0.000 1.241 297 I HN 0.147 nan 8.210 nan 0.000 0.469 298 F N 4.787 124.672 119.950 -0.109 0.000 2.602 298 F HA 0.262 4.789 4.527 -0.000 0.000 0.385 298 F C 0.959 176.700 175.800 -0.098 0.000 1.063 298 F CA 0.006 57.894 58.000 -0.185 0.000 1.233 298 F CB 0.343 39.192 39.000 -0.252 0.000 1.067 298 F HN 0.491 nan 8.300 nan 0.000 0.564 299 A N 4.094 126.965 122.820 0.085 0.000 2.684 299 A HA 0.672 4.991 4.320 -0.000 0.000 0.289 299 A C -0.821 176.814 177.584 0.085 0.000 1.139 299 A CA -0.344 51.740 52.037 0.078 0.000 0.793 299 A CB 0.414 19.442 19.000 0.047 0.000 1.334 299 A HN 0.861 nan 8.150 nan 0.000 0.408 300 V N -0.573 119.421 119.914 0.133 0.000 3.069 300 V HA 0.889 5.009 4.120 -0.000 0.000 0.312 300 V C 0.348 176.540 176.094 0.163 0.000 1.369 300 V CA -0.228 62.177 62.300 0.176 0.000 1.047 300 V CB 0.787 32.801 31.823 0.319 0.000 1.098 300 V HN 1.264 nan 8.190 nan 0.000 0.473 301 T N -0.563 114.092 114.554 0.168 0.000 2.802 301 T HA 0.231 4.581 4.350 -0.000 0.000 0.305 301 T C 1.298 176.072 174.700 0.123 0.000 1.053 301 T CA 0.455 62.632 62.100 0.128 0.000 1.058 301 T CB 0.709 69.647 68.868 0.117 0.000 0.988 301 T HN 1.819 nan 8.240 nan 0.000 0.539 302 S N -0.089 115.666 115.700 0.092 0.000 2.515 302 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 302 S C 1.881 176.522 174.600 0.068 0.000 0.987 302 S CA 0.241 58.487 58.200 0.077 0.000 0.936 302 S CB -0.518 62.718 63.200 0.060 0.000 0.766 302 S HN 0.769 nan 8.310 nan 0.000 0.528 303 R N 0.208 120.751 120.500 0.072 0.000 2.148 303 R HA 0.189 4.529 4.340 -0.000 0.000 0.223 303 R C 0.812 177.145 176.300 0.056 0.000 1.088 303 R CA 0.848 56.982 56.100 0.058 0.000 0.985 303 R CB -0.047 30.290 30.300 0.060 0.000 0.880 303 R HN 0.384 nan 8.270 nan 0.000 0.451 304 M N 0.361 120.017 119.600 0.093 0.000 2.685 304 M HA 0.058 4.538 4.480 -0.000 0.000 0.355 304 M C 1.094 177.470 176.300 0.127 0.000 1.197 304 M CA 0.056 55.404 55.300 0.080 0.000 0.947 304 M CB 1.032 33.745 32.600 0.189 0.000 1.346 304 M HN -0.024 nan 8.290 nan 0.000 0.516 305 V N 1.103 121.078 119.914 0.102 0.000 2.446 305 V HA -0.053 4.067 4.120 -0.000 0.000 0.244 305 V C 1.793 177.917 176.094 0.050 0.000 1.039 305 V CA 1.746 64.114 62.300 0.112 0.000 1.045 305 V CB 0.109 31.985 31.823 0.088 0.000 0.681 305 V HN 0.416 nan 8.190 nan 0.000 0.459 306 K N -0.612 119.793 120.400 0.009 0.000 2.404 306 K HA 0.054 4.374 4.320 -0.000 0.000 0.194 306 K C 1.745 178.308 176.600 -0.061 0.000 1.023 306 K CA 0.821 57.097 56.287 -0.018 0.000 1.094 306 K CB 0.223 32.718 32.500 -0.008 0.000 0.841 306 K HN 0.480 nan 8.250 nan 0.000 0.523 307 T N -0.855 113.630 114.554 -0.114 0.000 3.031 307 T HA -0.016 4.334 4.350 -0.000 0.000 0.254 307 T C 1.156 175.660 174.700 -0.326 0.000 1.060 307 T CA 0.640 62.626 62.100 -0.189 0.000 1.135 307 T CB 0.025 68.766 68.868 -0.211 0.000 0.896 307 T HN 0.120 nan 8.240 nan 0.000 0.472 308 Y N 1.311 121.440 120.300 -0.286 0.000 2.544 308 Y HA 0.282 4.832 4.550 -0.000 0.000 0.286 308 Y C 2.261 177.841 175.900 -0.533 0.000 1.141 308 Y CA 0.300 58.012 58.100 -0.646 0.000 1.299 308 Y CB -0.193 37.795 38.460 -0.786 0.000 1.030 308 Y HN 0.287 nan 8.280 nan 0.000 0.543 309 E N 0.836 120.955 120.200 -0.134 0.000 2.072 309 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 309 E C 1.837 178.388 176.600 -0.081 0.000 0.985 309 E CA 1.332 57.687 56.400 -0.076 0.000 0.801 309 E CB 0.042 29.725 29.700 -0.028 0.000 0.750 309 E HN -0.042 nan 8.360 nan 0.000 0.452 310 K N 0.058 120.402 120.400 -0.093 0.000 2.283 310 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 310 K C 1.897 178.443 176.600 -0.091 0.000 1.048 310 K CA 0.525 56.768 56.287 -0.074 0.000 0.948 310 K CB -0.276 32.185 32.500 -0.065 0.000 0.742 310 K HN 0.233 nan 8.250 nan 0.000 0.458 311 L N 1.018 122.144 121.223 -0.163 0.000 2.313 311 L HA -0.008 4.332 4.340 -0.000 0.000 0.214 311 L C 1.709 178.533 176.870 -0.076 0.000 1.119 311 L CA 1.589 56.325 54.840 -0.174 0.000 0.809 311 L CB -0.513 41.326 42.059 -0.367 0.000 0.933 311 L HN -0.005 nan 8.230 nan 0.000 0.449 312 T N -0.475 114.043 114.554 -0.061 0.000 2.821 312 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 312 T C 1.646 176.382 174.700 0.061 0.000 1.046 312 T CA 1.209 63.361 62.100 0.086 0.000 1.139 312 T CB -0.084 68.838 68.868 0.090 0.000 0.871 312 T HN 0.348 nan 8.240 nan 0.000 0.454 313 E N 1.037 121.247 120.200 0.017 0.000 2.049 313 E HA -0.108 4.242 4.350 -0.000 0.000 0.198 313 E C 2.211 178.811 176.600 0.000 0.000 1.007 313 E CA 0.924 57.331 56.400 0.012 0.000 0.809 313 E CB -0.363 29.332 29.700 -0.009 0.000 0.749 313 E HN 0.365 nan 8.360 nan 0.000 0.450 314 I N 1.208 121.767 120.570 -0.019 0.000 2.055 314 I HA -0.132 4.038 4.170 -0.000 0.000 0.228 314 I C 1.858 177.947 176.117 -0.047 0.000 1.050 314 I CA 0.356 61.631 61.300 -0.040 0.000 1.326 314 I CB -1.020 36.950 38.000 -0.050 0.000 1.077 314 I HN 0.081 nan 8.210 nan 0.000 0.392 315 I N 2.597 123.152 120.570 -0.026 0.000 2.752 315 I HA 0.012 4.182 4.170 -0.000 0.000 0.287 315 I C -2.021 174.067 176.117 -0.049 0.000 1.188 315 I CA -1.192 60.081 61.300 -0.046 0.000 1.427 315 I CB 0.975 38.970 38.000 -0.009 0.000 1.365 315 I HN 0.039 nan 8.210 nan 0.000 0.585 316 P HA 0.139 nan 4.420 nan 0.000 0.276 316 P C -1.402 175.894 177.300 -0.007 0.000 1.261 316 P CA -0.480 62.519 63.100 -0.169 0.000 0.800 316 P CB 0.294 31.674 31.700 -0.533 0.000 1.066 317 K N -0.559 119.959 120.400 0.196 0.000 4.838 317 K HA -0.061 4.259 4.320 -0.000 0.000 0.300 317 K C -0.693 175.904 176.600 -0.005 0.000 0.861 317 K CA 0.679 57.036 56.287 0.115 0.000 0.929 317 K CB -2.159 30.360 32.500 0.031 0.000 1.772 317 K HN 0.681 nan 8.250 nan 0.000 0.422 318 S N -0.812 114.911 115.700 0.038 0.000 2.562 318 S HA 0.748 5.218 4.470 -0.000 0.000 0.274 318 S C -0.738 173.928 174.600 0.110 0.000 1.160 318 S CA -0.616 57.578 58.200 -0.010 0.000 0.933 318 S CB 2.288 65.514 63.200 0.042 0.000 1.100 318 S HN 0.535 nan 8.310 nan 0.000 0.468 319 A N 1.947 124.812 122.820 0.075 0.000 2.330 319 A HA 0.936 5.256 4.320 -0.000 0.000 0.329 319 A C -0.004 177.718 177.584 0.230 0.000 1.135 319 A CA -0.695 51.419 52.037 0.128 0.000 0.817 319 A CB 1.287 20.322 19.000 0.058 0.000 1.269 319 A HN 1.985 nan 8.150 nan 0.000 0.469 320 V N -0.992 119.031 119.914 0.182 0.000 2.435 320 V HA 0.876 4.996 4.120 -0.000 0.000 0.290 320 V C 0.147 176.316 176.094 0.126 0.000 1.030 320 V CA 0.071 62.478 62.300 0.178 0.000 0.881 320 V CB 1.136 33.031 31.823 0.121 0.000 0.983 320 V HN 1.414 nan 8.190 nan 0.000 0.445 321 G N 3.000 111.877 108.800 0.128 0.000 2.990 321 G HA2 0.412 4.372 3.960 -0.000 0.000 0.300 321 G HA3 0.412 4.372 3.960 -0.000 0.000 0.300 321 G C -0.573 174.387 174.900 0.101 0.000 1.498 321 G CA -0.330 44.830 45.100 0.100 0.000 1.074 321 G HN 0.811 nan 8.290 nan 0.000 0.542 322 E N 2.551 122.806 120.200 0.091 0.000 2.290 322 E HA 0.371 4.720 4.350 -0.000 0.000 0.277 322 E C -0.572 176.075 176.600 0.079 0.000 1.035 322 E CA -0.162 56.291 56.400 0.088 0.000 0.873 322 E CB 1.006 30.751 29.700 0.075 0.000 1.029 322 E HN 0.432 nan 8.360 nan 0.000 0.419 323 L N 1.018 122.291 121.223 0.082 0.000 2.403 323 L HA 0.584 4.923 4.340 -0.000 0.000 0.253 323 L C -0.040 176.872 176.870 0.069 0.000 1.045 323 L CA -1.030 53.854 54.840 0.073 0.000 0.845 323 L CB 1.063 43.169 42.059 0.078 0.000 1.447 323 L HN 0.123 nan 8.230 nan 0.000 0.411 324 S N -0.409 115.328 115.700 0.061 0.000 2.600 324 S HA 0.157 4.627 4.470 -0.000 0.000 0.265 324 S C 0.747 175.382 174.600 0.059 0.000 1.325 324 S CA -0.052 58.181 58.200 0.055 0.000 1.002 324 S CB 0.779 64.007 63.200 0.046 0.000 0.921 324 S HN 0.795 nan 8.310 nan 0.000 0.554 325 E N 1.028 121.260 120.200 0.054 0.000 2.512 325 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 325 E C 0.566 177.193 176.600 0.046 0.000 1.083 325 E CA 0.553 56.986 56.400 0.054 0.000 0.873 325 E CB -0.205 29.526 29.700 0.051 0.000 0.897 325 E HN 0.608 nan 8.360 nan 0.000 0.514 326 D N -1.957 118.470 120.400 0.044 0.000 2.407 326 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 326 D C 0.049 176.375 176.300 0.044 0.000 1.083 326 D CA 0.272 54.294 54.000 0.036 0.000 0.844 326 D CB -0.235 40.581 40.800 0.028 0.000 0.967 326 D HN -0.047 nan 8.370 nan 0.000 0.506 327 S N -0.732 115.005 115.700 0.061 0.000 3.641 327 S HA -0.222 4.248 4.470 -0.000 0.000 0.346 327 S C 1.302 175.943 174.600 0.069 0.000 1.074 327 S CA 0.800 59.049 58.200 0.081 0.000 1.026 327 S CB -2.143 61.119 63.200 0.104 0.000 0.908 327 S HN 0.659 nan 8.310 nan 0.000 0.479 328 S N 1.295 117.027 115.700 0.053 0.000 2.404 328 S HA -0.050 4.420 4.470 -0.000 0.000 0.223 328 S C 0.982 175.611 174.600 0.048 0.000 1.040 328 S CA 0.573 58.798 58.200 0.042 0.000 0.957 328 S CB -0.319 62.900 63.200 0.031 0.000 0.826 328 S HN 0.765 nan 8.310 nan 0.000 0.491 329 N N 1.974 120.707 118.700 0.055 0.000 2.597 329 N HA 0.154 4.894 4.740 -0.000 0.000 0.269 329 N C 0.658 176.213 175.510 0.074 0.000 1.204 329 N CA -0.145 52.940 53.050 0.058 0.000 0.947 329 N CB 0.342 38.861 38.487 0.054 0.000 1.258 329 N HN 0.308 nan 8.380 nan 0.000 0.508 330 V N -0.442 119.525 119.914 0.088 0.000 2.788 330 V HA -0.027 4.093 4.120 -0.000 0.000 0.251 330 V C 1.490 177.656 176.094 0.120 0.000 1.068 330 V CA 0.852 63.225 62.300 0.122 0.000 1.090 330 V CB 0.027 31.955 31.823 0.175 0.000 0.710 330 V HN 0.258 nan 8.190 nan 0.000 0.467 331 V N 0.006 119.977 119.914 0.094 0.000 2.871 331 V HA -0.154 3.966 4.120 -0.000 0.000 0.256 331 V C 2.242 178.385 176.094 0.082 0.000 1.082 331 V CA 1.823 64.175 62.300 0.087 0.000 1.105 331 V CB -0.551 31.310 31.823 0.062 0.000 0.713 331 V HN 0.647 nan 8.190 nan 0.000 0.473 332 Q N -0.186 119.659 119.800 0.074 0.000 2.472 332 Q HA -0.016 4.324 4.340 -0.000 0.000 0.208 332 Q C 2.010 178.055 176.000 0.076 0.000 0.958 332 Q CA 0.632 56.477 55.803 0.070 0.000 0.932 332 Q CB -0.047 28.727 28.738 0.060 0.000 1.007 332 Q HN 0.620 nan 8.270 nan 0.000 0.508 333 L N -0.005 121.267 121.223 0.082 0.000 2.046 333 L HA -0.187 4.152 4.340 -0.000 0.000 0.208 333 L C 1.996 178.910 176.870 0.073 0.000 1.077 333 L CA 1.078 55.964 54.840 0.076 0.000 0.747 333 L CB -0.235 41.871 42.059 0.078 0.000 0.896 333 L HN 0.340 nan 8.230 nan 0.000 0.432 334 I N -0.625 119.998 120.570 0.089 0.000 3.059 334 I HA -0.145 4.025 4.170 -0.000 0.000 0.270 334 I C 2.330 178.542 176.117 0.158 0.000 1.238 334 I CA 0.332 61.694 61.300 0.104 0.000 1.478 334 I CB -0.136 37.943 38.000 0.130 0.000 1.097 334 I HN 0.126 nan 8.210 nan 0.000 0.455 335 K N 1.727 122.203 120.400 0.127 0.000 2.283 335 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 335 K C 1.271 177.939 176.600 0.113 0.000 1.048 335 K CA 1.404 57.765 56.287 0.122 0.000 0.948 335 K CB -0.086 32.465 32.500 0.086 0.000 0.742 335 K HN 0.213 nan 8.250 nan 0.000 0.458 336 N N -0.308 118.449 118.700 0.094 0.000 2.254 336 N HA 0.153 4.893 4.740 -0.000 0.000 0.190 336 N C 0.884 176.435 175.510 0.068 0.000 1.107 336 N CA 0.698 53.796 53.050 0.080 0.000 0.869 336 N CB 0.496 39.023 38.487 0.068 0.000 0.983 336 N HN 0.232 nan 8.380 nan 0.000 0.487 337 A N 0.477 123.331 122.820 0.057 0.000 1.832 337 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 337 A C 1.601 179.173 177.584 -0.020 0.000 1.242 337 A CA 0.838 52.861 52.037 -0.023 0.000 0.603 337 A CB -1.185 17.750 19.000 -0.109 0.000 0.902 337 A HN 0.219 nan 8.150 nan 0.000 0.455 338 Y N 0.752 121.085 120.300 0.054 0.000 2.365 338 Y HA -0.255 4.295 4.550 -0.000 0.000 0.287 338 Y C 2.509 178.445 175.900 0.060 0.000 1.162 338 Y CA 1.275 59.412 58.100 0.062 0.000 1.260 338 Y CB -0.335 38.161 38.460 0.059 0.000 0.976 338 Y HN 0.472 nan 8.280 nan 0.000 0.548 339 N N 0.766 119.577 118.700 0.185 0.000 2.061 339 N HA -0.189 4.551 4.740 -0.000 0.000 0.193 339 N C 0.812 176.383 175.510 0.101 0.000 1.030 339 N CA 1.665 54.790 53.050 0.125 0.000 0.856 339 N CB -0.008 38.535 38.487 0.095 0.000 1.023 339 N HN 0.103 nan 8.380 nan 0.000 0.424 340 K N -0.505 119.944 120.400 0.082 0.000 2.619 340 K HA 0.157 4.477 4.320 -0.000 0.000 0.201 340 K C 0.408 177.040 176.600 0.053 0.000 1.090 340 K CA -0.175 56.150 56.287 0.064 0.000 1.063 340 K CB 0.592 33.124 32.500 0.053 0.000 0.810 340 K HN 0.151 nan 8.250 nan 0.000 0.506 341 L N -0.096 121.160 121.223 0.055 0.000 2.500 341 L HA 0.247 4.587 4.340 -0.000 0.000 0.219 341 L C 1.156 178.086 176.870 0.100 0.000 1.057 341 L CA 1.334 56.191 54.840 0.028 0.000 0.854 341 L CB 0.395 42.408 42.059 -0.076 0.000 1.078 341 L HN -0.136 nan 8.230 nan 0.000 0.480 342 S N -1.115 114.687 115.700 0.171 0.000 2.671 342 S HA 0.121 4.591 4.470 -0.000 0.000 0.220 342 S C 1.597 176.324 174.600 0.210 0.000 0.951 342 S CA 0.596 58.953 58.200 0.262 0.000 0.932 342 S CB 0.013 63.412 63.200 0.332 0.000 0.777 342 S HN 0.419 nan 8.310 nan 0.000 0.508 343 S N 1.051 116.833 115.700 0.137 0.000 2.545 343 S HA 0.194 4.664 4.470 -0.000 0.000 0.232 343 S C 0.755 175.368 174.600 0.023 0.000 1.070 343 S CA -0.161 58.092 58.200 0.089 0.000 0.923 343 S CB 0.223 63.462 63.200 0.065 0.000 0.806 343 S HN 0.345 nan 8.310 nan 0.000 0.506 344 R N 2.654 123.131 120.500 -0.038 0.000 2.609 344 R HA 0.196 4.536 4.340 -0.000 0.000 0.271 344 R C -1.077 175.013 176.300 -0.350 0.000 1.403 344 R CA -0.059 55.882 56.100 -0.265 0.000 1.138 344 R CB -0.107 30.005 30.300 -0.312 0.000 1.142 344 R HN 0.095 nan 8.270 nan 0.000 0.559 345 V N 5.259 125.019 119.914 -0.257 0.000 2.439 345 V HA 0.116 4.236 4.120 -0.000 0.000 0.271 345 V C 0.251 176.100 176.094 -0.408 0.000 1.040 345 V CA 0.299 62.460 62.300 -0.231 0.000 1.002 345 V CB -0.165 31.611 31.823 -0.079 0.000 1.000 345 V HN 0.434 nan 8.190 nan 0.000 0.477 346 F N 4.601 124.465 119.950 -0.143 0.000 2.432 346 F HA 0.653 5.180 4.527 -0.000 0.000 0.329 346 F C 0.173 175.738 175.800 -0.392 0.000 1.076 346 F CA -0.691 57.175 58.000 -0.224 0.000 1.018 346 F CB 1.857 40.799 39.000 -0.097 0.000 1.201 346 F HN 0.281 nan 8.300 nan 0.000 0.489 347 L N 2.649 123.720 121.223 -0.253 0.000 2.685 347 L HA 0.313 4.653 4.340 -0.000 0.000 0.297 347 L C -0.903 175.722 176.870 -0.408 0.000 1.367 347 L CA -0.025 54.551 54.840 -0.440 0.000 0.703 347 L CB -0.464 41.053 42.059 -0.903 0.000 1.039 347 L HN 0.449 nan 8.230 nan 0.000 0.529 348 D N 0.051 120.353 120.400 -0.164 0.000 2.469 348 D HA 0.539 5.179 4.640 -0.000 0.000 0.278 348 D C -0.133 176.289 176.300 0.203 0.000 1.231 348 D CA 0.096 54.071 54.000 -0.042 0.000 1.075 348 D CB 0.592 41.299 40.800 -0.156 0.000 1.121 348 D HN 0.441 nan 8.370 nan 0.000 0.571 349 H N -1.990 117.129 119.070 0.082 0.000 3.017 349 H HA 0.366 4.922 4.556 -0.000 0.000 0.346 349 H C -0.820 174.563 175.328 0.092 0.000 1.286 349 H CA -0.860 55.278 56.048 0.151 0.000 1.120 349 H CB 0.086 29.995 29.762 0.245 0.000 1.860 349 H HN 0.058 nan 8.280 nan 0.000 0.542 350 N N 0.030 118.846 118.700 0.192 0.000 2.395 350 N HA 0.189 4.929 4.740 -0.000 0.000 0.246 350 N C 0.130 175.666 175.510 0.043 0.000 1.246 350 N CA 0.421 53.529 53.050 0.096 0.000 0.879 350 N CB 0.375 38.955 38.487 0.156 0.000 1.098 350 N HN 0.710 nan 8.380 nan 0.000 0.444 351 A N 2.282 125.091 122.820 -0.018 0.000 2.512 351 A HA 0.125 4.445 4.320 -0.000 0.000 0.278 351 A C 0.237 177.828 177.584 0.010 0.000 1.128 351 A CA -0.216 51.799 52.037 -0.037 0.000 0.818 351 A CB -1.250 17.727 19.000 -0.038 0.000 1.044 351 A HN 0.587 nan 8.150 nan 0.000 0.526 352 L N 2.771 124.008 121.223 0.023 0.000 2.464 352 L HA 0.626 4.966 4.340 -0.000 0.000 0.264 352 L C -1.828 175.024 176.870 -0.029 0.000 1.199 352 L CA -1.760 53.064 54.840 -0.027 0.000 0.818 352 L CB -0.892 41.087 42.059 -0.134 0.000 1.102 352 L HN 0.417 nan 8.230 nan 0.000 0.473 353 P HA 0.049 nan 4.420 nan 0.000 0.269 353 P C -0.287 176.991 177.300 -0.038 0.000 1.215 353 P CA -0.143 62.940 63.100 -0.028 0.000 0.780 353 P CB 0.489 32.176 31.700 -0.020 0.000 0.898 354 D N -0.196 120.182 120.400 -0.036 0.000 2.265 354 D HA -0.158 4.482 4.640 -0.000 0.000 0.208 354 D C 1.151 177.424 176.300 -0.045 0.000 0.977 354 D CA 1.535 55.510 54.000 -0.043 0.000 0.871 354 D CB -1.397 39.371 40.800 -0.052 0.000 0.925 354 D HN 0.451 nan 8.370 nan 0.000 0.485 355 T N -2.212 112.317 114.554 -0.040 0.000 3.227 355 T HA 0.211 4.561 4.350 -0.000 0.000 0.257 355 T C 0.706 175.384 174.700 -0.036 0.000 1.162 355 T CA -0.106 61.973 62.100 -0.034 0.000 1.051 355 T CB -0.445 68.407 68.868 -0.027 0.000 0.953 355 T HN 0.140 nan 8.240 nan 0.000 0.535 356 L N -0.206 120.987 121.223 -0.050 0.000 2.376 356 L HA 0.673 5.013 4.340 -0.000 0.000 0.258 356 L C -0.844 175.984 176.870 -0.071 0.000 1.013 356 L CA -1.282 53.516 54.840 -0.070 0.000 0.822 356 L CB 2.272 44.260 42.059 -0.118 0.000 1.388 356 L HN -0.181 nan 8.230 nan 0.000 0.413 357 K N 1.882 122.234 120.400 -0.079 0.000 2.535 357 K HA 0.643 4.963 4.320 -0.000 0.000 0.250 357 K C -1.512 175.018 176.600 -0.117 0.000 0.948 357 K CA -0.539 55.709 56.287 -0.065 0.000 0.796 357 K CB 2.733 35.219 32.500 -0.023 0.000 1.216 357 K HN 0.246 nan 8.250 nan 0.000 0.432 358 V N 1.677 121.503 119.914 -0.146 0.000 2.680 358 V HA 0.632 4.752 4.120 -0.000 0.000 0.309 358 V C 0.267 176.245 176.094 -0.193 0.000 1.052 358 V CA -0.602 61.534 62.300 -0.272 0.000 0.908 358 V CB 2.017 33.502 31.823 -0.564 0.000 1.001 358 V HN 1.022 nan 8.190 nan 0.000 0.431 359 T N 0.611 114.976 114.554 -0.316 0.000 2.804 359 T HA 0.842 5.192 4.350 -0.000 0.000 0.290 359 T C -1.358 173.067 174.700 -0.459 0.000 1.099 359 T CA -0.649 61.346 62.100 -0.175 0.000 1.011 359 T CB 2.002 70.831 68.868 -0.065 0.000 1.291 359 T HN 0.373 nan 8.240 nan 0.000 0.523 360 Y N -1.203 119.082 120.300 -0.025 0.000 2.689 360 Y HA 0.706 5.256 4.550 -0.000 0.000 0.333 360 Y C -0.899 175.023 175.900 0.037 0.000 1.190 360 Y CA -0.988 57.110 58.100 -0.003 0.000 1.063 360 Y CB 1.572 40.033 38.460 0.002 0.000 1.294 360 Y HN 0.711 nan 8.280 nan 0.000 0.466 361 D N -0.795 119.774 120.400 0.281 0.000 2.533 361 D HA 0.744 5.383 4.640 -0.000 0.000 0.247 361 D C -1.399 175.067 176.300 0.276 0.000 1.056 361 D CA -0.717 53.403 54.000 0.200 0.000 1.054 361 D CB 2.122 43.014 40.800 0.153 0.000 1.400 361 D HN 0.345 nan 8.370 nan 0.000 0.533 362 S N 0.001 115.772 115.700 0.118 0.000 2.668 362 S HA 0.466 4.936 4.470 -0.000 0.000 0.277 362 S C -1.339 173.182 174.600 -0.130 0.000 1.170 362 S CA -0.548 57.709 58.200 0.096 0.000 0.994 362 S CB 0.554 63.866 63.200 0.186 0.000 1.051 362 S HN 0.287 nan 8.310 nan 0.000 0.484 363 F N 1.809 121.713 119.950 -0.077 0.000 2.531 363 F HA 0.310 4.837 4.527 -0.000 0.000 0.333 363 F C 0.515 176.251 175.800 -0.105 0.000 1.292 363 F CA -0.637 57.317 58.000 -0.076 0.000 1.184 363 F CB 0.312 39.261 39.000 -0.085 0.000 1.426 363 F HN 0.482 nan 8.300 nan 0.000 0.559 364 c N 0.664 119.292 118.600 0.046 0.000 2.775 364 c HA 0.017 4.587 4.570 -0.000 0.000 0.391 364 c C 2.260 176.376 174.090 0.043 0.000 1.295 364 c CA 0.560 56.905 56.329 0.028 0.000 2.119 364 c CB 0.790 43.320 42.510 0.034 0.000 2.705 364 c HN 0.875 nan 8.230 nan 0.000 0.710 365 S N 1.477 117.193 115.700 0.028 0.000 2.371 365 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 365 S C 0.622 175.235 174.600 0.023 0.000 1.029 365 S CA 1.230 59.445 58.200 0.025 0.000 0.978 365 S CB -0.566 62.646 63.200 0.020 0.000 0.833 365 S HN 0.899 nan 8.310 nan 0.000 0.466 366 N N 1.625 120.336 118.700 0.019 0.000 3.188 366 N HA 0.466 5.206 4.740 -0.000 0.000 0.279 366 N C 0.934 176.445 175.510 0.001 0.000 1.213 366 N CA 0.061 53.118 53.050 0.011 0.000 1.138 366 N CB -0.087 38.407 38.487 0.011 0.000 1.417 366 N HN 0.509 nan 8.380 nan 0.000 0.526 367 G N -0.658 108.145 108.800 0.005 0.000 2.417 367 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.233 367 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.233 367 G C -0.099 174.779 174.900 -0.036 0.000 1.103 367 G CA 0.183 45.278 45.100 -0.008 0.000 0.647 367 G HN 0.513 nan 8.290 nan 0.000 0.512 368 V N 2.166 122.038 119.914 -0.070 0.000 2.540 368 V HA 0.413 4.533 4.120 -0.000 0.000 0.297 368 V C 0.784 176.747 176.094 -0.219 0.000 1.024 368 V CA 1.405 63.590 62.300 -0.192 0.000 1.105 368 V CB 1.184 32.885 31.823 -0.204 0.000 0.938 368 V HN 0.377 nan 8.190 nan 0.000 0.482 369 T N 4.658 119.014 114.554 -0.331 0.000 3.427 369 T HA 0.312 4.662 4.350 -0.000 0.000 0.306 369 T C -0.052 174.354 174.700 -0.490 0.000 1.733 369 T CA -0.294 61.537 62.100 -0.449 0.000 1.599 369 T CB -0.471 68.277 68.868 -0.200 0.000 0.964 369 T HN 0.757 nan 8.240 nan 0.000 0.701 370 H N 1.634 120.459 119.070 -0.408 0.000 2.603 370 H HA 0.609 5.165 4.556 -0.000 0.000 0.370 370 H C 0.572 175.721 175.328 -0.299 0.000 1.225 370 H CA -0.327 55.564 56.048 -0.261 0.000 1.410 370 H CB 0.774 30.447 29.762 -0.150 0.000 1.495 370 H HN 0.219 nan 8.280 nan 0.000 0.602 371 R N 1.545 122.056 120.500 0.019 0.000 2.536 371 R HA 0.167 4.507 4.340 -0.000 0.000 0.269 371 R C -1.291 175.021 176.300 0.020 0.000 1.113 371 R CA -1.094 54.998 56.100 -0.013 0.000 0.948 371 R CB 1.455 31.739 30.300 -0.026 0.000 1.237 371 R HN 0.805 nan 8.270 nan 0.000 0.441 372 N N 3.057 121.777 118.700 0.034 0.000 2.422 372 N HA -0.169 4.571 4.740 -0.000 0.000 0.289 372 N C -1.336 174.193 175.510 0.031 0.000 1.385 372 N CA 1.056 54.127 53.050 0.034 0.000 0.639 372 N CB -0.394 38.105 38.487 0.019 0.000 0.914 372 N HN 0.725 nan 8.380 nan 0.000 0.516 373 Q N -0.601 119.237 119.800 0.064 0.000 2.805 373 Q HA 0.200 4.540 4.340 -0.000 0.000 0.257 373 Q C -2.664 173.420 176.000 0.140 0.000 0.977 373 Q CA -0.984 54.854 55.803 0.057 0.000 0.901 373 Q CB 2.582 31.309 28.738 -0.019 0.000 1.778 373 Q HN 0.157 nan 8.270 nan 0.000 0.441 374 P HA 0.063 nan 4.420 nan 0.000 0.280 374 P C -0.277 176.974 177.300 -0.081 0.000 1.278 374 P CA 0.191 63.404 63.100 0.188 0.000 0.787 374 P CB 0.570 32.348 31.700 0.130 0.000 1.163 375 R N -2.787 117.525 120.500 -0.313 0.000 3.868 375 R HA -0.126 4.213 4.340 -0.000 0.000 0.476 375 R C 0.623 176.645 176.300 -0.462 0.000 0.241 375 R CA 1.195 57.113 56.100 -0.304 0.000 1.496 375 R CB -1.949 28.323 30.300 -0.047 0.000 1.052 375 R HN 0.857 nan 8.270 nan 0.000 0.541 376 G N 0.226 108.842 108.800 -0.307 0.000 5.302 376 G HA2 0.095 4.055 3.960 -0.000 0.000 0.223 376 G HA3 0.095 4.055 3.960 -0.000 0.000 0.223 376 G C -1.182 173.697 174.900 -0.036 0.000 0.832 376 G CA 0.029 44.941 45.100 -0.313 0.000 0.714 376 G HN 0.515 nan 8.290 nan 0.000 0.444 377 D N 0.893 121.248 120.400 -0.076 0.000 2.383 377 D HA 0.132 4.772 4.640 -0.000 0.000 0.275 377 D C -0.144 176.148 176.300 -0.013 0.000 1.344 377 D CA 0.236 54.162 54.000 -0.123 0.000 0.984 377 D CB -0.017 40.740 40.800 -0.072 0.000 1.104 377 D HN 0.053 nan 8.370 nan 0.000 0.524 378 c N 4.413 123.005 118.600 -0.012 0.000 2.521 378 c HA 0.179 4.749 4.570 -0.000 0.000 0.291 378 c C 0.482 174.576 174.090 0.007 0.000 1.074 378 c CA -1.010 55.345 56.329 0.044 0.000 1.495 378 c CB 0.355 42.918 42.510 0.089 0.000 1.862 378 c HN 0.501 nan 8.230 nan 0.000 0.418 379 D N 1.549 121.951 120.400 0.003 0.000 2.870 379 D HA 0.255 4.895 4.640 -0.000 0.000 0.241 379 D C 1.150 177.467 176.300 0.027 0.000 1.234 379 D CA 0.357 54.359 54.000 0.004 0.000 0.844 379 D CB -0.144 40.658 40.800 0.003 0.000 1.051 379 D HN 0.795 nan 8.370 nan 0.000 0.469 380 G N -0.131 108.690 108.800 0.035 0.000 5.084 380 G HA2 0.372 4.332 3.960 -0.000 0.000 0.241 380 G HA3 0.372 4.332 3.960 -0.000 0.000 0.241 380 G C -0.511 174.416 174.900 0.044 0.000 0.918 380 G CA -0.122 45.001 45.100 0.037 0.000 0.754 380 G HN 0.204 nan 8.290 nan 0.000 0.478 381 V N -2.081 117.868 119.914 0.058 0.000 2.932 381 V HA 0.798 4.918 4.120 -0.000 0.000 0.307 381 V C -0.108 176.043 176.094 0.094 0.000 1.147 381 V CA -0.688 61.655 62.300 0.073 0.000 0.951 381 V CB 1.484 33.360 31.823 0.088 0.000 1.031 381 V HN 0.349 nan 8.190 nan 0.000 0.426 382 Q N 4.093 123.946 119.800 0.088 0.000 2.013 382 Q HA 0.485 4.824 4.340 -0.000 0.000 0.158 382 Q C 1.052 177.106 176.000 0.091 0.000 0.517 382 Q CA -0.172 55.689 55.803 0.097 0.000 0.753 382 Q CB 0.781 29.562 28.738 0.073 0.000 1.005 382 Q HN 0.572 nan 8.270 nan 0.000 0.393 383 I N 0.538 121.137 120.570 0.049 0.000 3.284 383 I HA 0.082 4.252 4.170 -0.000 0.000 0.231 383 I C 0.565 176.678 176.117 -0.006 0.000 1.041 383 I CA 0.321 61.632 61.300 0.019 0.000 1.478 383 I CB 0.196 38.194 38.000 -0.004 0.000 1.340 383 I HN 0.255 nan 8.210 nan 0.000 0.449 384 N N 0.885 119.576 118.700 -0.016 0.000 2.818 384 N HA 0.268 5.008 4.740 -0.000 0.000 0.301 384 N C -1.541 173.954 175.510 -0.025 0.000 1.821 384 N CA 0.076 53.105 53.050 -0.034 0.000 0.930 384 N CB 0.746 39.208 38.487 -0.040 0.000 1.263 384 N HN -0.082 nan 8.380 nan 0.000 0.487 385 V N 2.624 122.530 119.914 -0.013 0.000 2.445 385 V HA 0.415 4.535 4.120 -0.000 0.000 0.283 385 V C -2.060 174.035 176.094 0.001 0.000 1.014 385 V CA -1.429 60.868 62.300 -0.006 0.000 0.852 385 V CB 1.746 33.573 31.823 0.007 0.000 1.021 385 V HN 0.268 nan 8.190 nan 0.000 0.435 386 P HA 0.268 nan 4.420 nan 0.000 0.271 386 P C -0.265 177.038 177.300 0.006 0.000 1.233 386 P CA 0.225 63.321 63.100 -0.007 0.000 0.795 386 P CB 0.587 32.274 31.700 -0.023 0.000 0.936 387 I N -4.284 116.291 120.570 0.008 0.000 3.343 387 I HA 0.686 4.856 4.170 -0.000 0.000 0.315 387 I C -1.133 174.872 176.117 -0.187 0.000 1.153 387 I CA -0.861 60.376 61.300 -0.105 0.000 0.952 387 I CB 2.336 40.233 38.000 -0.172 0.000 1.287 387 I HN 0.040 nan 8.210 nan 0.000 0.472 388 T N 2.111 116.448 114.554 -0.362 0.000 3.031 388 T HA 0.577 4.927 4.350 -0.000 0.000 0.305 388 T C -1.193 173.291 174.700 -0.359 0.000 0.985 388 T CA -0.146 61.814 62.100 -0.233 0.000 1.008 388 T CB 0.689 69.522 68.868 -0.059 0.000 1.005 388 T HN 0.373 nan 8.240 nan 0.000 0.444 389 F N 2.146 122.183 119.950 0.145 0.000 2.449 389 F HA 0.461 4.988 4.527 -0.000 0.000 0.342 389 F C 0.624 176.480 175.800 0.093 0.000 1.127 389 F CA -1.010 57.075 58.000 0.142 0.000 0.975 389 F CB 1.827 40.914 39.000 0.144 0.000 1.146 389 F HN 0.348 nan 8.300 nan 0.000 0.444 390 Q N 3.846 123.789 119.800 0.238 0.000 2.456 390 Q HA 0.393 4.733 4.340 -0.000 0.000 0.234 390 Q C -1.215 174.730 176.000 -0.091 0.000 1.061 390 Q CA -0.494 55.345 55.803 0.059 0.000 0.896 390 Q CB 1.056 29.842 28.738 0.081 0.000 1.233 390 Q HN 0.570 nan 8.270 nan 0.000 0.506 391 V N 5.133 124.831 119.914 -0.360 0.000 2.455 391 V HA 0.171 4.291 4.120 -0.000 0.000 0.273 391 V C -0.107 175.565 176.094 -0.703 0.000 1.045 391 V CA -0.023 61.859 62.300 -0.696 0.000 0.976 391 V CB 0.795 31.995 31.823 -1.039 0.000 0.993 391 V HN 0.636 nan 8.190 nan 0.000 0.475 392 K N 4.460 124.598 120.400 -0.437 0.000 2.449 392 K HA 0.559 4.879 4.320 -0.000 0.000 0.257 392 K C -1.115 175.385 176.600 -0.167 0.000 0.989 392 K CA -0.523 55.628 56.287 -0.227 0.000 0.916 392 K CB 1.966 34.388 32.500 -0.131 0.000 1.136 392 K HN 0.453 nan 8.250 nan 0.000 0.439 393 V N 3.030 122.929 119.914 -0.025 0.000 2.370 393 V HA 0.300 4.420 4.120 -0.000 0.000 0.279 393 V C -0.022 176.084 176.094 0.021 0.000 1.029 393 V CA -0.378 61.929 62.300 0.012 0.000 0.870 393 V CB 1.486 33.413 31.823 0.174 0.000 0.984 393 V HN 0.733 nan 8.190 nan 0.000 0.451 394 T N 3.663 118.206 114.554 -0.019 0.000 2.908 394 T HA 0.825 5.175 4.350 -0.000 0.000 0.290 394 T C -0.125 174.566 174.700 -0.015 0.000 1.034 394 T CA -0.366 61.730 62.100 -0.007 0.000 1.010 394 T CB 2.044 70.905 68.868 -0.011 0.000 1.068 394 T HN 0.893 nan 8.240 nan 0.000 0.481 395 A N 0.734 123.550 122.820 -0.006 0.000 2.346 395 A HA 0.778 5.098 4.320 -0.000 0.000 0.313 395 A C 1.151 178.729 177.584 -0.010 0.000 1.140 395 A CA -0.338 51.692 52.037 -0.012 0.000 0.826 395 A CB 1.001 19.996 19.000 -0.009 0.000 1.332 395 A HN 0.898 nan 8.150 nan 0.000 0.457 396 T N -2.166 112.383 114.554 -0.009 0.000 3.042 396 T HA 0.252 4.602 4.350 -0.000 0.000 0.245 396 T C 0.502 175.188 174.700 -0.023 0.000 1.029 396 T CA 0.893 62.992 62.100 -0.003 0.000 1.120 396 T CB -0.340 68.545 68.868 0.028 0.000 0.917 396 T HN 0.856 nan 8.240 nan 0.000 0.467 397 E N -0.586 119.600 120.200 -0.024 0.000 2.440 397 E HA 0.506 4.856 4.350 -0.000 0.000 0.263 397 E C -1.232 175.349 176.600 -0.032 0.000 0.938 397 E CA -1.276 55.102 56.400 -0.037 0.000 0.831 397 E CB 0.869 30.548 29.700 -0.034 0.000 1.456 397 E HN -0.006 nan 8.360 nan 0.000 0.427 398 c N 2.845 121.424 118.600 -0.036 0.000 2.423 398 c HA 0.238 4.808 4.570 -0.000 0.000 0.378 398 c C 1.020 175.096 174.090 -0.024 0.000 1.068 398 c CA -0.686 55.626 56.329 -0.029 0.000 1.371 398 c CB -2.716 39.775 42.510 -0.032 0.000 1.856 398 c HN 0.468 nan 8.230 nan 0.000 0.523 399 I N 1.273 121.830 120.570 -0.021 0.000 3.332 399 I HA 0.132 4.302 4.170 -0.000 0.000 0.280 399 I C 0.273 176.378 176.117 -0.019 0.000 1.285 399 I CA 0.074 61.364 61.300 -0.018 0.000 1.347 399 I CB 0.470 38.462 38.000 -0.012 0.000 1.353 399 I HN 0.343 nan 8.210 nan 0.000 0.611 400 Q N 2.289 122.080 119.800 -0.016 0.000 2.222 400 Q HA 0.200 4.540 4.340 -0.000 0.000 0.252 400 Q C -0.545 175.443 176.000 -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 29.897 28.738 -0.014 0.000 1.250 400 Q HN 0.648 nan 8.270 nan 0.000 0.441 401 E N 2.520 122.702 120.200 -0.030 0.000 2.585 401 E HA -0.073 4.277 4.350 -0.000 0.000 0.252 401 E C -0.748 175.838 176.600 -0.024 0.000 0.981 401 E CA 0.670 57.046 56.400 -0.041 0.000 0.943 401 E CB 0.371 30.038 29.700 -0.055 0.000 0.923 401 E HN 0.586 nan 8.360 nan 0.000 0.486 402 Q N 1.849 121.642 119.800 -0.012 0.000 2.893 402 Q HA 0.492 4.832 4.340 -0.000 0.000 0.331 402 Q C -1.511 174.502 176.000 0.021 0.000 0.893 402 Q CA -0.988 54.822 55.803 0.013 0.000 0.783 402 Q CB 2.130 30.892 28.738 0.039 0.000 1.440 402 Q HN 0.607 nan 8.270 nan 0.000 0.508 403 S N -0.139 115.594 115.700 0.055 0.000 2.543 403 S HA 0.774 5.244 4.470 -0.000 0.000 0.273 403 S C -1.173 173.499 174.600 0.120 0.000 1.152 403 S CA -0.842 57.372 58.200 0.023 0.000 0.910 403 S CB 0.789 63.957 63.200 -0.054 0.000 1.105 403 S HN 0.617 nan 8.310 nan 0.000 0.465 404 F N 0.634 120.583 119.950 -0.001 0.000 2.782 404 F HA 0.951 5.478 4.527 -0.000 0.000 0.366 404 F C -0.902 174.922 175.800 0.040 0.000 1.171 404 F CA -1.222 56.796 58.000 0.030 0.000 1.064 404 F CB 0.848 39.880 39.000 0.054 0.000 1.449 404 F HN 0.702 nan 8.300 nan 0.000 0.520 405 V N -0.537 119.524 119.914 0.246 0.000 2.841 405 V HA 0.639 4.759 4.120 -0.000 0.000 0.310 405 V C -1.182 175.111 176.094 0.331 0.000 1.090 405 V CA -1.003 61.360 62.300 0.105 0.000 0.930 405 V CB 1.686 33.561 31.823 0.087 0.000 1.014 405 V HN 0.864 nan 8.190 nan 0.000 0.425 406 I N 3.826 124.535 120.570 0.231 0.000 2.428 406 I HA 0.537 4.707 4.170 -0.000 0.000 0.279 406 I C 0.369 176.596 176.117 0.184 0.000 1.040 406 I CA -0.350 61.136 61.300 0.310 0.000 1.171 406 I CB 1.031 39.250 38.000 0.366 0.000 1.312 406 I HN 0.661 nan 8.210 nan 0.000 0.470 407 R N 3.602 124.193 120.500 0.151 0.000 2.596 407 R HA 0.777 5.117 4.340 -0.000 0.000 0.267 407 R C -0.146 176.198 176.300 0.073 0.000 1.026 407 R CA -0.782 55.379 56.100 0.102 0.000 1.087 407 R CB 1.453 31.805 30.300 0.087 0.000 1.132 407 R HN 0.606 nan 8.270 nan 0.000 0.531 408 A N 2.455 125.333 122.820 0.098 0.000 2.252 408 A HA 0.311 4.631 4.320 -0.000 0.000 0.309 408 A C 0.103 177.901 177.584 0.357 0.000 1.285 408 A CA -0.648 51.472 52.037 0.139 0.000 0.900 408 A CB 0.176 19.125 19.000 -0.085 0.000 1.157 408 A HN 0.598 nan 8.150 nan 0.000 0.536 409 L N 2.329 123.683 121.223 0.219 0.000 2.667 409 L HA 0.182 4.521 4.340 -0.000 0.000 0.278 409 L C 1.417 178.324 176.870 0.062 0.000 1.217 409 L CA 1.378 56.254 54.840 0.059 0.000 0.935 409 L CB -0.214 41.724 42.059 -0.203 0.000 1.193 409 L HN 1.212 nan 8.230 nan 0.000 0.493 410 G N 2.989 111.702 108.800 -0.145 0.000 2.142 410 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.225 410 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.225 410 G C -0.396 174.021 174.900 -0.806 0.000 1.015 410 G CA -0.530 44.299 45.100 -0.451 0.000 0.716 410 G HN 0.470 nan 8.290 nan 0.000 0.508 411 F N -1.035 118.912 119.950 -0.004 0.000 2.608 411 F HA 0.528 5.055 4.527 -0.000 0.000 0.309 411 F C 1.182 176.976 175.800 -0.011 0.000 1.103 411 F CA -0.270 57.738 58.000 0.013 0.000 0.954 411 F CB 1.730 40.767 39.000 0.061 0.000 1.267 411 F HN 0.096 nan 8.300 nan 0.000 0.444 412 T N -3.538 111.109 114.554 0.154 0.000 3.129 412 T HA 0.043 4.393 4.350 -0.000 0.000 0.251 412 T C 0.034 174.780 174.700 0.076 0.000 1.117 412 T CA 0.043 62.182 62.100 0.066 0.000 1.034 412 T CB -0.526 68.352 68.868 0.018 0.000 0.968 412 T HN 0.301 nan 8.240 nan 0.000 0.526 413 D N 2.227 122.700 120.400 0.122 0.000 2.367 413 D HA 0.277 4.917 4.640 -0.000 0.000 0.255 413 D C -0.135 176.215 176.300 0.083 0.000 1.300 413 D CA -0.049 54.007 54.000 0.094 0.000 0.959 413 D CB 0.098 40.964 40.800 0.109 0.000 1.064 413 D HN 0.509 nan 8.370 nan 0.000 0.509 414 I N 1.938 122.542 120.570 0.057 0.000 2.371 414 I HA 0.079 4.249 4.170 -0.000 0.000 0.290 414 I C 0.108 176.247 176.117 0.037 0.000 1.028 414 I CA -0.646 60.682 61.300 0.046 0.000 1.345 414 I CB 1.151 39.168 38.000 0.028 0.000 1.407 414 I HN -0.048 nan 8.210 nan 0.000 0.501 415 V N 5.676 125.613 119.914 0.039 0.000 2.294 415 V HA 0.118 4.238 4.120 -0.000 0.000 0.272 415 V C 0.341 176.404 176.094 -0.051 0.000 1.027 415 V CA -0.516 61.792 62.300 0.014 0.000 0.823 415 V CB 0.878 32.733 31.823 0.052 0.000 1.030 415 V HN 0.727 nan 8.190 nan 0.000 0.457 416 T N 4.903 119.412 114.554 -0.074 0.000 2.961 416 T HA 0.152 4.502 4.350 -0.000 0.000 0.270 416 T C 0.236 174.799 174.700 -0.229 0.000 0.926 416 T CA 0.037 62.058 62.100 -0.133 0.000 1.112 416 T CB 0.060 68.875 68.868 -0.089 0.000 0.926 416 T HN 0.340 nan 8.240 nan 0.000 0.612 417 V N 5.213 124.881 119.914 -0.409 0.000 2.372 417 V HA 0.188 4.308 4.120 -0.000 0.000 0.261 417 V C 0.634 176.387 176.094 -0.568 0.000 1.055 417 V CA -0.620 61.335 62.300 -0.575 0.000 0.930 417 V CB 0.676 31.965 31.823 -0.890 0.000 1.031 417 V HN 0.767 nan 8.190 nan 0.000 0.479 418 Q N 3.854 123.445 119.800 -0.348 0.000 2.354 418 Q HA 0.519 4.859 4.340 -0.000 0.000 0.244 418 Q C -1.190 174.678 176.000 -0.220 0.000 0.969 418 Q CA -0.273 55.384 55.803 -0.244 0.000 0.885 418 Q CB 1.618 30.244 28.738 -0.186 0.000 1.241 418 Q HN 0.562 nan 8.270 nan 0.000 0.461 419 V N 5.183 125.014 119.914 -0.138 0.000 2.577 419 V HA 0.389 4.509 4.120 -0.000 0.000 0.303 419 V C -0.783 175.229 176.094 -0.136 0.000 1.042 419 V CA -0.663 61.586 62.300 -0.086 0.000 0.872 419 V CB 1.668 33.531 31.823 0.066 0.000 0.998 419 V HN 0.699 nan 8.190 nan 0.000 0.423 420 L N 6.393 127.486 121.223 -0.218 0.000 2.343 420 L HA 0.490 4.830 4.340 -0.000 0.000 0.278 420 L C -2.571 174.203 176.870 -0.160 0.000 0.996 420 L CA -1.859 52.821 54.840 -0.266 0.000 0.831 420 L CB 2.271 43.982 42.059 -0.580 0.000 1.232 420 L HN 0.385 nan 8.230 nan 0.000 0.413 421 P HA -0.052 nan 4.420 nan 0.000 0.257 421 P C -0.709 176.574 177.300 -0.029 0.000 1.227 421 P CA 0.230 63.302 63.100 -0.047 0.000 0.981 421 P CB 0.150 31.827 31.700 -0.038 0.000 1.044 422 Q N 3.788 123.589 119.800 0.001 0.000 2.441 422 Q HA 0.372 4.712 4.340 -0.000 0.000 0.234 422 Q C -1.081 174.932 176.000 0.023 0.000 1.078 422 Q CA -0.443 55.386 55.803 0.044 0.000 0.907 422 Q CB -0.041 28.764 28.738 0.112 0.000 1.269 422 Q HN 0.561 nan 8.270 nan 0.000 0.502 423 c N 2.195 120.799 118.600 0.008 0.000 2.887 423 c HA 0.759 5.329 4.570 -0.000 0.000 0.379 423 c C -1.239 172.839 174.090 -0.019 0.000 1.064 423 c CA -0.960 55.363 56.329 -0.009 0.000 1.282 423 c CB 0.982 43.479 42.510 -0.022 0.000 1.749 423 c HN 0.721 nan 8.230 nan 0.000 0.489 424 E N 0.946 121.132 120.200 -0.023 0.000 2.470 424 E HA 0.529 4.879 4.350 -0.000 0.000 0.287 424 E C -1.125 175.455 176.600 -0.034 0.000 1.126 424 E CA -0.025 56.355 56.400 -0.033 0.000 0.902 424 E CB 1.174 30.862 29.700 -0.020 0.000 1.196 424 E HN 1.504 nan 8.360 nan 0.000 0.430 425 c N 1.271 119.839 118.600 -0.053 0.000 3.173 425 c HA 0.915 5.485 4.570 -0.000 0.000 0.310 425 c C -1.102 172.960 174.090 -0.046 0.000 1.306 425 c CA -0.731 55.569 56.329 -0.049 0.000 1.426 425 c CB 2.278 44.746 42.510 -0.070 0.000 1.800 425 c HN 0.812 nan 8.230 nan 0.000 0.470 426 R N 2.117 122.606 120.500 -0.017 0.000 2.772 426 R HA 0.531 4.871 4.340 -0.000 0.000 0.288 426 R C -0.485 175.828 176.300 0.021 0.000 1.365 426 R CA -0.296 55.804 56.100 0.000 0.000 1.023 426 R CB 0.816 31.115 30.300 -0.002 0.000 1.261 426 R HN 1.020 nan 8.270 nan 0.000 0.422 427 c N 2.212 120.834 118.600 0.036 0.000 2.654 427 c HA 0.515 5.085 4.570 -0.000 0.000 0.288 427 c C 0.857 174.974 174.090 0.045 0.000 1.578 427 c CA -0.143 56.218 56.329 0.052 0.000 1.941 427 c CB 0.028 42.590 42.510 0.086 0.000 1.856 427 c HN 0.730 nan 8.230 nan 0.000 0.706 428 R N 0.363 120.896 120.500 0.055 0.000 2.909 428 R HA 0.422 4.762 4.340 -0.000 0.000 0.262 428 R C -1.902 174.436 176.300 0.063 0.000 1.095 428 R CA -0.290 55.842 56.100 0.054 0.000 0.965 428 R CB 1.527 31.864 30.300 0.061 0.000 1.300 428 R HN 0.555 nan 8.270 nan 0.000 0.442 429 D N -1.280 119.158 120.400 0.062 0.000 2.867 429 D HA -0.000 4.640 4.640 -0.000 0.000 0.308 429 D C -0.554 175.795 176.300 0.082 0.000 1.202 429 D CA -0.558 53.478 54.000 0.060 0.000 1.035 429 D CB 0.294 41.106 40.800 0.020 0.000 1.427 429 D HN 0.528 nan 8.370 nan 0.000 0.570 430 Q N -0.413 119.426 119.800 0.066 0.000 2.212 430 Q HA 0.224 4.564 4.340 -0.000 0.000 0.213 430 Q C 0.455 176.483 176.000 0.047 0.000 0.874 430 Q CA 0.003 55.856 55.803 0.083 0.000 0.965 430 Q CB 0.077 28.872 28.738 0.096 0.000 1.074 430 Q HN 0.357 nan 8.270 nan 0.000 0.473 431 S N 0.056 115.776 115.700 0.033 0.000 2.470 431 S HA 0.063 4.533 4.470 -0.000 0.000 0.222 431 S C 0.980 175.596 174.600 0.026 0.000 1.024 431 S CA -0.139 58.075 58.200 0.024 0.000 0.931 431 S CB 0.041 63.250 63.200 0.016 0.000 0.791 431 S HN 0.292 nan 8.310 nan 0.000 0.513 432 R N 2.599 123.118 120.500 0.032 0.000 2.205 432 R HA 0.323 4.663 4.340 -0.000 0.000 0.342 432 R C -1.275 175.045 176.300 0.033 0.000 1.058 432 R CA 0.051 56.169 56.100 0.030 0.000 0.904 432 R CB -1.463 28.855 30.300 0.032 0.000 1.089 432 R HN 0.134 nan 8.270 nan 0.000 0.471 433 D N 3.445 123.860 120.400 0.025 0.000 3.114 433 D HA -0.125 4.515 4.640 -0.000 0.000 0.253 433 D C -0.150 176.162 176.300 0.020 0.000 1.046 433 D CA 0.447 54.458 54.000 0.018 0.000 0.897 433 D CB -0.542 40.266 40.800 0.014 0.000 1.018 433 D HN 0.745 nan 8.370 nan 0.000 0.425 434 R N -0.046 120.466 120.500 0.021 0.000 2.323 434 R HA 0.015 4.355 4.340 -0.000 0.000 0.198 434 R C 1.995 178.302 176.300 0.011 0.000 0.988 434 R CA 0.979 57.091 56.100 0.020 0.000 1.041 434 R CB 0.178 30.491 30.300 0.021 0.000 0.926 434 R HN 0.442 nan 8.270 nan 0.000 0.476 435 S N 0.626 116.332 115.700 0.009 0.000 2.303 435 S HA 0.014 4.484 4.470 -0.000 0.000 0.207 435 S C 1.140 175.737 174.600 -0.004 0.000 1.025 435 S CA -0.028 58.181 58.200 0.015 0.000 0.953 435 S CB -0.429 62.781 63.200 0.017 0.000 0.932 435 S HN 0.069 nan 8.310 nan 0.000 0.472 436 L N 1.197 122.398 121.223 -0.037 0.000 2.489 436 L HA 0.048 4.388 4.340 -0.000 0.000 0.285 436 L C 0.832 177.613 176.870 -0.147 0.000 1.259 436 L CA -0.078 54.695 54.840 -0.111 0.000 0.828 436 L CB -0.380 41.627 42.059 -0.087 0.000 1.094 436 L HN 0.760 nan 8.230 nan 0.000 0.524 437 c N 0.276 118.719 118.600 -0.261 0.000 4.417 437 c HA -0.181 4.389 4.570 -0.000 0.000 0.284 437 c C 1.022 175.009 174.090 -0.172 0.000 1.379 437 c CA 0.411 56.602 56.329 -0.229 0.000 1.918 437 c CB -3.376 39.047 42.510 -0.146 0.000 1.280 437 c HN 1.084 nan 8.230 nan 0.000 0.783 438 H N -1.279 117.749 119.070 -0.069 0.000 2.458 438 H HA -0.124 4.431 4.556 -0.000 0.000 0.322 438 H C 1.507 176.761 175.328 -0.123 0.000 1.038 438 H CA 1.154 57.153 56.048 -0.082 0.000 1.120 438 H CB -1.083 28.632 29.762 -0.077 0.000 1.489 438 H HN 1.481 nan 8.280 nan 0.000 0.399 439 G N -0.303 108.489 108.800 -0.013 0.000 2.328 439 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.256 439 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.256 439 G C 0.729 175.570 174.900 -0.099 0.000 1.014 439 G CA 0.607 45.683 45.100 -0.041 0.000 0.620 439 G HN 0.353 nan 8.290 nan 0.000 0.530 440 K N 1.688 121.956 120.400 -0.221 0.000 2.997 440 K HA 0.578 4.898 4.320 -0.000 0.000 0.249 440 K C 0.631 177.121 176.600 -0.184 0.000 1.284 440 K CA 0.589 56.658 56.287 -0.364 0.000 1.245 440 K CB 0.222 32.016 32.500 -1.177 0.000 1.670 440 K HN 1.298 nan 8.250 nan 0.000 0.385 441 G N 0.776 109.550 108.800 -0.045 0.000 2.340 441 G HA2 0.295 4.255 3.960 -0.000 0.000 0.298 441 G HA3 0.295 4.255 3.960 -0.000 0.000 0.298 441 G C -1.273 173.664 174.900 0.062 0.000 1.498 441 G CA -1.078 44.024 45.100 0.002 0.000 0.847 441 G HN 0.132 nan 8.290 nan 0.000 0.594 442 F N -0.843 119.101 119.950 -0.011 0.000 2.572 442 F HA 0.926 5.453 4.527 -0.000 0.000 0.342 442 F C -0.350 175.450 175.800 -0.001 0.000 1.064 442 F CA -1.603 56.394 58.000 -0.007 0.000 1.008 442 F CB 1.744 40.744 39.000 -0.001 0.000 1.303 442 F HN 0.528 nan 8.300 nan 0.000 0.492 443 L N 1.338 122.645 121.223 0.141 0.000 2.362 443 L HA 0.626 4.966 4.340 -0.000 0.000 0.271 443 L C -1.465 175.495 176.870 0.150 0.000 1.002 443 L CA -0.551 54.314 54.840 0.041 0.000 0.818 443 L CB 1.844 43.928 42.059 0.041 0.000 1.298 443 L HN 0.858 nan 8.230 nan 0.000 0.420 444 E N 3.953 124.210 120.200 0.094 0.000 2.432 444 E HA 0.290 4.640 4.350 -0.000 0.000 0.272 444 E C -0.816 175.867 176.600 0.138 0.000 0.937 444 E CA -0.417 56.062 56.400 0.132 0.000 0.812 444 E CB 0.926 30.721 29.700 0.157 0.000 1.377 444 E HN 0.735 nan 8.360 nan 0.000 0.399 445 c N 4.264 122.960 118.600 0.160 0.000 4.067 445 c HA 0.088 4.657 4.570 -0.000 0.000 0.305 445 c C 1.486 175.737 174.090 0.268 0.000 1.305 445 c CA 1.251 57.737 56.329 0.262 0.000 2.111 445 c CB -2.249 40.534 42.510 0.455 0.000 1.339 445 c HN 1.317 nan 8.230 nan 0.000 0.668 446 G N 0.639 109.522 108.800 0.139 0.000 4.315 446 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.280 446 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.280 446 G C 0.247 175.193 174.900 0.076 0.000 1.649 446 G CA 0.444 45.600 45.100 0.093 0.000 1.108 446 G HN 2.012 nan 8.290 nan 0.000 0.667 447 I N 0.476 121.113 120.570 0.112 0.000 3.245 447 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 447 I C 0.380 176.482 176.117 -0.026 0.000 1.269 447 I CA -0.046 61.286 61.300 0.054 0.000 1.383 447 I CB 0.045 38.107 38.000 0.102 0.000 1.337 447 I HN 0.494 nan 8.210 nan 0.000 0.599 448 c N 4.004 122.547 118.600 -0.095 0.000 2.345 448 c HA 0.509 5.079 4.570 -0.000 0.000 0.323 448 c C 0.195 174.099 174.090 -0.310 0.000 1.276 448 c CA -0.702 55.498 56.329 -0.214 0.000 1.543 448 c CB 0.536 42.940 42.510 -0.177 0.000 2.211 448 c HN 0.723 nan 8.230 nan 0.000 0.493 449 R N 1.987 122.113 120.500 -0.624 0.000 2.205 449 R HA 0.419 4.759 4.340 -0.000 0.000 0.342 449 R C -0.225 175.725 176.300 -0.585 0.000 1.058 449 R CA -0.263 55.466 56.100 -0.618 0.000 0.904 449 R CB 0.300 30.165 30.300 -0.724 0.000 1.089 449 R HN 0.750 nan 8.270 nan 0.000 0.471 450 c N 1.713 120.187 118.600 -0.210 0.000 2.560 450 c HA 0.157 4.727 4.570 -0.000 0.000 0.334 450 c C 1.019 175.161 174.090 0.086 0.000 1.404 450 c CA -0.760 55.541 56.329 -0.046 0.000 2.410 450 c CB 0.188 42.725 42.510 0.045 0.000 2.268 450 c HN 0.686 nan 8.230 nan 0.000 0.673 451 D N 0.375 120.888 120.400 0.189 0.000 2.376 451 D HA 0.171 4.811 4.640 -0.000 0.000 0.268 451 D C 1.480 177.880 176.300 0.166 0.000 1.252 451 D CA 0.264 54.398 54.000 0.223 0.000 1.041 451 D CB -0.196 40.787 40.800 0.304 0.000 1.109 451 D HN 0.743 nan 8.370 nan 0.000 0.552 452 T N -2.978 111.653 114.554 0.129 0.000 2.788 452 T HA -0.047 4.303 4.350 -0.000 0.000 0.268 452 T C 1.700 176.414 174.700 0.023 0.000 1.044 452 T CA 1.128 63.269 62.100 0.068 0.000 1.139 452 T CB -0.561 68.336 68.868 0.049 0.000 0.867 452 T HN 0.440 nan 8.240 nan 0.000 0.454 453 G N -0.802 107.986 108.800 -0.020 0.000 2.986 453 G HA2 0.346 4.306 3.960 -0.000 0.000 0.213 453 G HA3 0.346 4.306 3.960 -0.000 0.000 0.213 453 G C -0.224 174.486 174.900 -0.317 0.000 1.156 453 G CA -0.473 44.512 45.100 -0.192 0.000 0.763 453 G HN 0.524 nan 8.290 nan 0.000 0.547 454 Y N -0.052 120.264 120.300 0.027 0.000 2.409 454 Y HA 0.677 5.227 4.550 -0.000 0.000 0.339 454 Y C 0.017 175.924 175.900 0.012 0.000 1.033 454 Y CA -1.113 57.001 58.100 0.024 0.000 1.094 454 Y CB 1.942 40.420 38.460 0.031 0.000 1.210 454 Y HN -0.176 nan 8.280 nan 0.000 0.456 455 I N 1.141 121.808 120.570 0.162 0.000 3.006 455 I HA 0.732 4.902 4.170 -0.000 0.000 0.306 455 I C 0.020 176.176 176.117 0.066 0.000 1.250 455 I CA -0.707 60.641 61.300 0.080 0.000 0.996 455 I CB 1.823 39.850 38.000 0.046 0.000 1.261 455 I HN 0.725 nan 8.210 nan 0.000 0.442 456 G N 3.531 112.348 108.800 0.029 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 -0.034 174.859 174.900 -0.013 0.000 1.338 456 G CA -0.185 44.925 45.100 0.015 0.000 0.941 456 G HN 0.903 nan 8.290 nan 0.000 0.633 457 K N -1.001 119.387 120.400 -0.020 0.000 2.555 457 K HA 0.115 4.435 4.320 -0.000 0.000 0.193 457 K C 0.549 177.111 176.600 -0.063 0.000 1.032 457 K CA 1.152 57.419 56.287 -0.034 0.000 1.004 457 K CB 0.140 32.625 32.500 -0.024 0.000 0.804 457 K HN 0.251 nan 8.250 nan 0.000 0.496 458 N N 0.366 119.018 118.700 -0.080 0.000 2.471 458 N HA 0.082 4.822 4.740 -0.000 0.000 0.270 458 N C -0.880 174.529 175.510 -0.168 0.000 1.490 458 N CA -0.160 52.793 53.050 -0.162 0.000 0.850 458 N CB 0.538 38.888 38.487 -0.228 0.000 1.411 458 N HN 0.170 nan 8.380 nan 0.000 0.488 459 c N 2.151 120.710 118.600 -0.067 0.000 4.185 459 c HA -0.144 4.426 4.570 -0.000 0.000 0.297 459 c C 2.014 176.165 174.090 0.100 0.000 1.463 459 c CA 1.269 57.600 56.329 0.003 0.000 2.032 459 c CB -1.670 40.798 42.510 -0.070 0.000 1.282 459 c HN 0.585 nan 8.230 nan 0.000 0.770 460 E N -0.964 119.318 120.200 0.136 0.000 2.250 460 E HA -0.010 4.340 4.350 -0.000 0.000 0.192 460 E C 1.009 177.732 176.600 0.205 0.000 0.986 460 E CA 1.143 57.715 56.400 0.287 0.000 0.849 460 E CB -0.125 29.742 29.700 0.278 0.000 0.797 460 E HN 0.750 nan 8.360 nan 0.000 0.482 461 c N 0.002 118.696 118.600 0.158 0.000 2.824 461 c HA 0.681 5.251 4.570 -0.000 0.000 0.405 461 c C 0.013 174.174 174.090 0.118 0.000 2.178 461 c CA -0.621 55.778 56.329 0.118 0.000 1.755 461 c CB 1.233 43.786 42.510 0.073 0.000 2.291 461 c HN 0.494 nan 8.230 nan 0.000 0.462 462 Q N -0.756 119.079 119.800 0.057 0.000 2.534 462 Q HA 0.314 4.654 4.340 -0.000 0.000 0.290 462 Q C -0.003 176.003 176.000 0.011 0.000 0.991 462 Q CA -0.107 55.706 55.803 0.016 0.000 0.783 462 Q CB 1.687 30.405 28.738 -0.033 0.000 1.470 462 Q HN 0.836 nan 8.270 nan 0.000 0.406 463 T N -0.977 113.577 114.554 0.001 0.000 3.284 463 T HA 0.103 4.453 4.350 -0.000 0.000 0.252 463 T C 0.121 174.824 174.700 0.004 0.000 1.144 463 T CA 0.436 62.540 62.100 0.007 0.000 1.021 463 T CB -0.058 68.814 68.868 0.007 0.000 0.984 463 T HN 0.452 nan 8.240 nan 0.000 0.545 464 Q N 1.047 120.845 119.800 -0.004 0.000 2.965 464 Q HA 0.537 4.877 4.340 -0.000 0.000 0.288 464 Q C -0.215 175.786 176.000 0.001 0.000 0.974 464 Q CA -0.739 55.063 55.803 -0.003 0.000 0.849 464 Q CB 1.145 29.875 28.738 -0.012 0.000 1.280 464 Q HN 0.551 nan 8.270 nan 0.000 0.441 465 G N 2.117 110.922 108.800 0.009 0.000 2.421 465 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.360 465 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.360 465 G C -0.998 173.910 174.900 0.015 0.000 1.219 465 G CA -0.966 44.141 45.100 0.011 0.000 1.257 465 G HN 0.228 nan 8.290 nan 0.000 0.609 466 R N -0.039 120.472 120.500 0.017 0.000 2.629 466 R HA 0.825 5.165 4.340 -0.000 0.000 0.266 466 R C -0.730 175.581 176.300 0.019 0.000 1.051 466 R CA -0.386 55.725 56.100 0.019 0.000 0.895 466 R CB 2.319 32.632 30.300 0.022 0.000 1.246 466 R HN 1.565 nan 8.270 nan 0.000 0.459 467 S N -0.118 115.592 115.700 0.018 0.000 2.709 467 S HA 0.337 4.807 4.470 -0.000 0.000 0.305 467 S C -1.258 173.351 174.600 0.015 0.000 0.974 467 S CA -0.949 57.261 58.200 0.017 0.000 0.837 467 S CB 1.336 64.547 63.200 0.017 0.000 1.032 467 S HN 0.466 nan 8.310 nan 0.000 0.461 468 S N 1.353 117.062 115.700 0.015 0.000 2.810 468 S HA 0.554 5.024 4.470 -0.000 0.000 0.315 468 S C 0.813 175.420 174.600 0.013 0.000 1.138 468 S CA -0.657 57.551 58.200 0.013 0.000 0.889 468 S CB 1.781 64.990 63.200 0.014 0.000 1.236 468 S HN 0.892 nan 8.310 nan 0.000 0.548 469 Q N 0.828 120.635 119.800 0.011 0.000 1.896 469 Q HA 0.076 4.416 4.340 -0.000 0.000 0.205 469 Q C 0.811 176.818 176.000 0.012 0.000 0.978 469 Q CA 1.340 57.150 55.803 0.011 0.000 0.850 469 Q CB -0.199 28.544 28.738 0.009 0.000 0.908 469 Q HN 0.699 nan 8.270 nan 0.000 0.431 470 E N 0.321 120.528 120.200 0.011 0.000 2.437 470 E HA 0.048 4.398 4.350 -0.000 0.000 0.189 470 E C 1.693 178.300 176.600 0.013 0.000 1.054 470 E CA -0.231 56.176 56.400 0.011 0.000 0.874 470 E CB 0.248 29.954 29.700 0.009 0.000 1.011 470 E HN 0.456 nan 8.360 nan 0.000 0.474 471 L N 0.595 121.825 121.223 0.012 0.000 2.265 471 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 471 L C 1.393 178.271 176.870 0.015 0.000 1.117 471 L CA 1.092 55.939 54.840 0.011 0.000 0.782 471 L CB -0.206 41.860 42.059 0.011 0.000 0.914 471 L HN 0.117 nan 8.230 nan 0.000 0.441 472 E N -0.015 120.196 120.200 0.019 0.000 2.438 472 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 472 E C 1.807 178.430 176.600 0.039 0.000 1.110 472 E CA 0.235 56.651 56.400 0.028 0.000 0.893 472 E CB 0.047 29.762 29.700 0.025 0.000 0.990 472 E HN 0.473 nan 8.360 nan 0.000 0.490 473 G N 1.132 109.952 108.800 0.034 0.000 2.496 473 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.214 473 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.214 473 G C 1.465 176.408 174.900 0.071 0.000 1.234 473 G CA 0.416 45.539 45.100 0.039 0.000 0.807 473 G HN 0.297 nan 8.290 nan 0.000 0.543 474 S N -1.054 114.687 115.700 0.069 0.000 2.650 474 S HA -0.006 4.464 4.470 -0.000 0.000 0.219 474 S C 1.779 176.467 174.600 0.147 0.000 0.960 474 S CA 0.462 58.733 58.200 0.119 0.000 0.925 474 S CB -0.673 62.553 63.200 0.042 0.000 0.775 474 S HN 0.388 nan 8.310 nan 0.000 0.525 475 c N 2.253 120.923 118.600 0.117 0.000 2.539 475 c HA 0.342 4.912 4.570 -0.000 0.000 0.268 475 c C 0.949 175.203 174.090 0.274 0.000 1.395 475 c CA -0.344 56.045 56.329 0.101 0.000 1.757 475 c CB -1.336 41.201 42.510 0.046 0.000 1.851 475 c HN 0.678 nan 8.230 nan 0.000 0.545 476 R N -0.048 120.633 120.500 0.302 0.000 2.575 476 R HA 0.397 4.737 4.340 -0.000 0.000 0.293 476 R C 0.837 177.093 176.300 -0.074 0.000 0.983 476 R CA -0.572 55.635 56.100 0.177 0.000 0.887 476 R CB 0.729 31.058 30.300 0.048 0.000 1.184 476 R HN 0.261 nan 8.270 nan 0.000 0.445 477 K N 0.910 120.887 120.400 -0.705 0.000 2.074 477 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 477 K C -0.358 176.032 176.600 -0.349 0.000 1.048 477 K CA 1.810 57.493 56.287 -1.007 0.000 0.926 477 K CB -0.337 31.586 32.500 -0.960 0.000 0.713 477 K HN 0.797 nan 8.250 nan 0.000 0.444 478 D N -1.977 118.293 120.400 -0.217 0.000 2.610 478 D HA 0.174 4.814 4.640 -0.000 0.000 0.271 478 D C -0.080 176.179 176.300 -0.069 0.000 1.174 478 D CA -0.928 53.004 54.000 -0.114 0.000 0.949 478 D CB 0.324 41.062 40.800 -0.105 0.000 1.430 478 D HN -0.199 nan 8.370 nan 0.000 0.467 479 N N -0.504 118.169 118.700 -0.044 0.000 2.289 479 N HA -0.083 4.657 4.740 -0.000 0.000 0.184 479 N C -0.026 175.467 175.510 -0.028 0.000 1.016 479 N CA 0.812 53.845 53.050 -0.028 0.000 0.872 479 N CB -0.403 38.071 38.487 -0.020 0.000 0.973 479 N HN 0.364 nan 8.380 nan 0.000 0.433 480 N N -0.469 118.210 118.700 -0.036 0.000 2.380 480 N HA 0.058 4.798 4.740 -0.000 0.000 0.255 480 N C -0.854 174.633 175.510 -0.040 0.000 1.158 480 N CA -0.016 53.014 53.050 -0.032 0.000 0.878 480 N CB 0.580 39.050 38.487 -0.029 0.000 1.138 480 N HN -0.052 nan 8.380 nan 0.000 0.509 481 S N 0.061 115.732 115.700 -0.048 0.000 2.513 481 S HA 0.488 4.957 4.470 -0.000 0.000 0.299 481 S C -0.117 174.464 174.600 -0.031 0.000 1.087 481 S CA -0.844 57.323 58.200 -0.055 0.000 1.012 481 S CB 0.981 64.119 63.200 -0.103 0.000 1.044 481 S HN 0.261 nan 8.310 nan 0.000 0.485 482 I N 4.822 125.379 120.570 -0.020 0.000 2.836 482 I HA 0.263 4.433 4.170 -0.000 0.000 0.285 482 I C -0.071 176.052 176.117 0.010 0.000 1.174 482 I CA -0.545 60.753 61.300 -0.003 0.000 1.405 482 I CB 0.429 38.430 38.000 0.001 0.000 1.385 482 I HN 0.664 nan 8.210 nan 0.000 0.594 483 I N 6.865 127.449 120.570 0.022 0.000 2.683 483 I HA -0.091 4.078 4.170 -0.000 0.000 0.286 483 I C 1.046 177.187 176.117 0.040 0.000 1.175 483 I CA -0.060 61.263 61.300 0.039 0.000 1.429 483 I CB 0.055 38.075 38.000 0.033 0.000 1.371 483 I HN 0.856 nan 8.210 nan 0.000 0.569 484 c N 4.474 123.116 118.600 0.070 0.000 4.233 484 c HA -0.227 4.343 4.570 -0.000 0.000 0.292 484 c C 1.423 175.532 174.090 0.032 0.000 1.469 484 c CA 0.676 57.033 56.329 0.047 0.000 2.013 484 c CB -3.269 39.222 42.510 -0.031 0.000 1.282 484 c HN 1.077 nan 8.230 nan 0.000 0.796 485 S N -1.586 114.139 115.700 0.042 0.000 3.521 485 S HA -0.033 4.437 4.470 -0.000 0.000 0.362 485 S C 1.084 175.686 174.600 0.004 0.000 1.044 485 S CA 1.314 59.521 58.200 0.012 0.000 1.091 485 S CB -1.564 61.643 63.200 0.011 0.000 0.908 485 S HN 2.600 nan 8.310 nan 0.000 0.473 486 G N 0.278 109.085 108.800 0.012 0.000 2.960 486 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.267 486 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.267 486 G C 0.122 175.034 174.900 0.019 0.000 1.492 486 G CA -0.308 44.812 45.100 0.032 0.000 0.953 486 G HN 1.540 nan 8.290 nan 0.000 0.555 487 L N -2.185 119.103 121.223 0.109 0.000 3.843 487 L HA -0.082 4.258 4.340 -0.000 0.000 0.411 487 L C 0.982 177.686 176.870 -0.277 0.000 1.205 487 L CA 1.061 55.998 54.840 0.161 0.000 0.945 487 L CB -1.896 40.203 42.059 0.067 0.000 1.929 487 L HN 2.246 nan 8.230 nan 0.000 0.934 488 G N 0.142 108.570 108.800 -0.620 0.000 2.617 488 G HA2 0.506 4.466 3.960 -0.000 0.000 0.305 488 G HA3 0.506 4.466 3.960 -0.000 0.000 0.305 488 G C -1.388 173.263 174.900 -0.414 0.000 1.436 488 G CA -0.340 44.292 45.100 -0.779 0.000 1.036 488 G HN 0.174 nan 8.290 nan 0.000 0.589 489 D N 0.248 120.463 120.400 -0.309 0.000 2.280 489 D HA 0.432 5.071 4.640 -0.000 0.000 0.236 489 D C 0.413 176.695 176.300 -0.029 0.000 1.082 489 D CA -0.681 53.310 54.000 -0.015 0.000 0.834 489 D CB 1.425 42.315 40.800 0.149 0.000 1.100 489 D HN 0.417 nan 8.370 nan 0.000 0.486 490 c N 3.054 121.647 118.600 -0.013 0.000 2.632 490 c HA 0.559 5.128 4.570 -0.000 0.000 0.415 490 c C -0.270 173.820 174.090 -0.001 0.000 1.332 490 c CA -0.061 56.260 56.329 -0.014 0.000 1.874 490 c CB -0.804 41.705 42.510 -0.001 0.000 2.596 490 c HN 0.499 nan 8.230 nan 0.000 0.590 491 V N 6.192 126.102 119.914 -0.007 0.000 2.612 491 V HA 0.351 4.471 4.120 -0.000 0.000 0.301 491 V C 0.203 176.297 176.094 -0.000 0.000 1.059 491 V CA -0.620 61.682 62.300 0.003 0.000 0.886 491 V CB 1.186 33.014 31.823 0.008 0.000 1.007 491 V HN 1.157 nan 8.190 nan 0.000 0.426 492 c N 4.904 123.508 118.600 0.007 0.000 4.209 492 c HA -0.066 4.504 4.570 -0.000 0.000 0.305 492 c C 1.829 175.917 174.090 -0.004 0.000 1.339 492 c CA 1.505 57.839 56.329 0.007 0.000 2.062 492 c CB -1.923 40.595 42.510 0.013 0.000 1.307 492 c HN 2.072 nan 8.230 nan 0.000 0.706 493 G N -0.346 108.451 108.800 -0.006 0.000 2.640 493 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.226 493 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.226 493 G C 0.095 174.974 174.900 -0.035 0.000 1.222 493 G CA 1.241 46.332 45.100 -0.014 0.000 0.729 493 G HN 1.241 nan 8.290 nan 0.000 0.516 494 Q N 0.220 119.991 119.800 -0.048 0.000 2.171 494 Q HA 0.695 5.034 4.340 -0.000 0.000 0.217 494 Q C -0.178 175.777 176.000 -0.076 0.000 0.995 494 Q CA -0.419 55.334 55.803 -0.084 0.000 0.979 494 Q CB 1.239 29.932 28.738 -0.075 0.000 1.152 494 Q HN 0.411 nan 8.270 nan 0.000 0.525 495 c N 0.642 119.180 118.600 -0.104 0.000 2.435 495 c HA 0.587 5.157 4.570 -0.000 0.000 0.333 495 c C -0.746 173.293 174.090 -0.086 0.000 1.202 495 c CA -0.742 55.532 56.329 -0.092 0.000 1.830 495 c CB 1.021 43.467 42.510 -0.106 0.000 2.326 495 c HN 0.767 nan 8.230 nan 0.000 0.507 496 L N 3.355 124.525 121.223 -0.089 0.000 2.335 496 L HA 0.464 4.804 4.340 -0.000 0.000 0.268 496 L C -0.100 176.684 176.870 -0.144 0.000 1.037 496 L CA -0.031 54.763 54.840 -0.077 0.000 0.895 496 L CB -0.225 41.815 42.059 -0.032 0.000 1.266 496 L HN 0.859 nan 8.230 nan 0.000 0.439 497 c N 3.232 121.752 118.600 -0.134 0.000 2.563 497 c HA 0.048 4.618 4.570 -0.000 0.000 0.411 497 c C 1.082 175.104 174.090 -0.112 0.000 1.386 497 c CA -0.124 56.102 56.329 -0.172 0.000 1.703 497 c CB -1.339 41.124 42.510 -0.079 0.000 2.596 497 c HN 0.740 nan 8.230 nan 0.000 0.605 498 H N 0.677 119.749 119.070 0.003 0.000 2.730 498 H HA 0.383 4.939 4.556 -0.000 0.000 0.376 498 H C 0.858 176.192 175.328 0.010 0.000 1.299 498 H CA 0.471 56.523 56.048 0.005 0.000 1.447 498 H CB 0.456 30.220 29.762 0.003 0.000 1.493 498 H HN 0.767 nan 8.280 nan 0.000 0.619 499 T N -1.519 113.128 114.554 0.155 0.000 2.855 499 T HA 0.436 4.786 4.350 -0.000 0.000 0.281 499 T C -0.214 174.524 174.700 0.064 0.000 1.007 499 T CA -1.085 61.066 62.100 0.085 0.000 1.009 499 T CB 1.686 70.591 68.868 0.063 0.000 0.983 499 T HN 0.436 nan 8.240 nan 0.000 0.455 500 S N 1.524 117.255 115.700 0.051 0.000 2.519 500 S HA 0.387 4.857 4.470 -0.000 0.000 0.309 500 S C -0.383 174.234 174.600 0.029 0.000 1.100 500 S CA -0.815 57.406 58.200 0.035 0.000 1.059 500 S CB 0.554 63.775 63.200 0.034 0.000 1.008 500 S HN 0.832 nan 8.310 nan 0.000 0.478 501 D N 3.636 124.048 120.400 0.021 0.000 3.032 501 D HA 0.185 4.825 4.640 -0.000 0.000 0.241 501 D C -0.220 176.089 176.300 0.015 0.000 1.196 501 D CA -0.220 53.791 54.000 0.018 0.000 0.927 501 D CB -0.227 40.581 40.800 0.013 0.000 1.129 501 D HN 0.155 nan 8.370 nan 0.000 0.458 502 V N 0.716 120.640 119.914 0.017 0.000 2.448 502 V HA 0.342 4.462 4.120 -0.000 0.000 0.295 502 V C -2.165 173.938 176.094 0.014 0.000 1.025 502 V CA -2.121 60.187 62.300 0.014 0.000 0.859 502 V CB 1.863 33.694 31.823 0.013 0.000 0.988 502 V HN 0.061 nan 8.190 nan 0.000 0.431 503 P HA 0.117 nan 4.420 nan 0.000 0.257 503 P C 1.073 178.378 177.300 0.008 0.000 1.162 503 P CA 1.874 64.980 63.100 0.010 0.000 0.762 503 P CB 0.223 31.927 31.700 0.007 0.000 0.753 504 G N 2.540 111.346 108.800 0.010 0.000 2.579 504 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.222 504 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.222 504 G C 0.400 175.306 174.900 0.010 0.000 1.201 504 G CA 0.293 45.393 45.100 0.001 0.000 0.710 504 G HN 0.716 nan 8.290 nan 0.000 0.516 505 K N 0.716 121.126 120.400 0.016 0.000 2.530 505 K HA 0.403 4.723 4.320 -0.000 0.000 0.280 505 K C -0.519 176.108 176.600 0.045 0.000 1.004 505 K CA 0.690 56.992 56.287 0.026 0.000 1.071 505 K CB 0.232 32.746 32.500 0.024 0.000 0.876 505 K HN 1.283 nan 8.250 nan 0.000 0.487 506 L N 6.278 127.541 121.223 0.066 0.000 2.795 506 L HA 0.386 4.726 4.340 -0.000 0.000 0.260 506 L C -1.633 175.330 176.870 0.154 0.000 0.935 506 L CA -0.452 54.449 54.840 0.101 0.000 0.985 506 L CB 0.998 43.122 42.059 0.108 0.000 1.433 506 L HN 0.536 nan 8.230 nan 0.000 0.447 507 I N 4.897 125.528 120.570 0.102 0.000 2.677 507 I HA 0.572 4.742 4.170 -0.000 0.000 0.305 507 I C -0.289 175.900 176.117 0.120 0.000 0.988 507 I CA -0.228 61.090 61.300 0.029 0.000 1.260 507 I CB 1.310 39.297 38.000 -0.021 0.000 1.410 507 I HN 0.838 nan 8.210 nan 0.000 0.523 508 Y N 0.593 120.854 120.300 -0.065 0.000 2.732 508 Y HA 0.658 5.208 4.550 -0.000 0.000 0.342 508 Y C -0.513 175.354 175.900 -0.056 0.000 1.203 508 Y CA -0.955 57.088 58.100 -0.096 0.000 1.092 508 Y CB 0.845 39.196 38.460 -0.181 0.000 1.345 508 Y HN 0.972 nan 8.280 nan 0.000 0.458 509 G N 0.868 109.717 108.800 0.083 0.000 2.392 509 G HA2 0.011 3.971 3.960 -0.000 0.000 0.677 509 G HA3 0.011 3.971 3.960 -0.000 0.000 0.677 509 G C -0.429 174.439 174.900 -0.053 0.000 1.334 509 G CA -0.270 44.848 45.100 0.029 0.000 0.961 509 G HN 0.901 nan 8.290 nan 0.000 0.616 510 Q N -0.664 119.061 119.800 -0.124 0.000 2.061 510 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 510 Q C 1.320 177.022 176.000 -0.496 0.000 0.984 510 Q CA 2.310 57.873 55.803 -0.400 0.000 0.846 510 Q CB -0.035 28.282 28.738 -0.702 0.000 0.902 510 Q HN 0.690 nan 8.270 nan 0.000 0.421 511 Y N -1.914 118.362 120.300 -0.040 0.000 2.658 511 Y HA 0.270 4.820 4.550 -0.000 0.000 0.276 511 Y C 0.157 176.009 175.900 -0.081 0.000 1.167 511 Y CA -0.918 57.150 58.100 -0.053 0.000 1.230 511 Y CB 0.014 38.448 38.460 -0.043 0.000 1.144 511 Y HN 0.049 nan 8.280 nan 0.000 0.529 512 c N 2.824 121.420 118.600 -0.007 0.000 4.056 512 c HA -0.205 4.365 4.570 -0.000 0.000 0.302 512 c C 1.834 175.873 174.090 -0.084 0.000 1.356 512 c CA 1.036 57.319 56.329 -0.076 0.000 2.074 512 c CB -1.678 40.774 42.510 -0.097 0.000 1.328 512 c HN 0.747 nan 8.230 nan 0.000 0.684 513 E N -1.649 118.496 120.200 -0.091 0.000 2.251 513 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 513 E C 0.698 177.183 176.600 -0.191 0.000 0.964 513 E CA 0.431 56.776 56.400 -0.091 0.000 0.868 513 E CB -0.050 29.633 29.700 -0.029 0.000 0.828 513 E HN 0.691 nan 8.360 nan 0.000 0.481 514 c N 2.980 121.346 118.600 -0.390 0.000 2.405 514 c HA 0.496 5.066 4.570 -0.000 0.000 0.365 514 c C -0.189 173.473 174.090 -0.713 0.000 1.233 514 c CA -0.477 55.499 56.329 -0.587 0.000 2.230 514 c CB 0.538 42.532 42.510 -0.860 0.000 2.443 514 c HN 0.541 nan 8.230 nan 0.000 0.556 515 D N -0.432 119.778 120.400 -0.316 0.000 2.559 515 D HA 0.411 5.051 4.640 -0.000 0.000 0.250 515 D C -0.425 175.946 176.300 0.117 0.000 1.135 515 D CA -0.482 53.476 54.000 -0.071 0.000 0.955 515 D CB 0.760 41.532 40.800 -0.046 0.000 1.442 515 D HN 0.464 nan 8.370 nan 0.000 0.471 516 T N -2.122 112.503 114.554 0.120 0.000 3.256 516 T HA 0.480 4.830 4.350 -0.000 0.000 0.249 516 T C 0.750 175.423 174.700 -0.046 0.000 0.975 516 T CA -0.389 61.705 62.100 -0.009 0.000 1.011 516 T CB -1.128 67.681 68.868 -0.098 0.000 1.127 516 T HN 0.542 nan 8.240 nan 0.000 0.543 517 I N -3.707 116.854 120.570 -0.016 0.000 5.285 517 I HA 0.500 4.670 4.170 -0.000 0.000 0.351 517 I C -0.029 176.087 176.117 -0.002 0.000 1.206 517 I CA -0.233 61.059 61.300 -0.013 0.000 1.527 517 I CB 0.105 38.104 38.000 -0.003 0.000 1.694 517 I HN 0.111 nan 8.210 nan 0.000 0.585 518 N N 1.891 120.593 118.700 0.003 0.000 3.229 518 N HA 0.442 5.182 4.740 -0.000 0.000 0.275 518 N C -0.864 174.657 175.510 0.019 0.000 1.225 518 N CA -0.114 52.942 53.050 0.009 0.000 1.119 518 N CB 0.097 38.586 38.487 0.003 0.000 1.392 518 N HN 0.487 nan 8.380 nan 0.000 0.520 519 c N -0.340 118.273 118.600 0.023 0.000 3.459 519 c HA 0.478 5.048 4.570 -0.000 0.000 0.358 519 c C 0.336 174.450 174.090 0.040 0.000 2.992 519 c CA -0.905 55.445 56.329 0.036 0.000 1.568 519 c CB 0.850 43.384 42.510 0.039 0.000 3.388 519 c HN 0.516 nan 8.230 nan 0.000 0.515 520 E N 0.792 121.023 120.200 0.051 0.000 2.259 520 E HA 0.357 4.707 4.350 -0.000 0.000 0.281 520 E C -0.143 176.503 176.600 0.078 0.000 1.027 520 E CA -0.143 56.294 56.400 0.061 0.000 0.838 520 E CB 0.628 30.368 29.700 0.068 0.000 1.066 520 E HN 0.356 nan 8.360 nan 0.000 0.401 521 R N 2.263 122.812 120.500 0.082 0.000 2.571 521 R HA 0.375 4.715 4.340 -0.000 0.000 0.259 521 R C -0.996 175.419 176.300 0.192 0.000 1.226 521 R CA -0.453 55.709 56.100 0.104 0.000 1.157 521 R CB 0.633 30.972 30.300 0.065 0.000 1.220 521 R HN 0.588 nan 8.270 nan 0.000 0.605 522 Y N 0.047 120.361 120.300 0.024 0.000 2.273 522 Y HA 0.025 4.574 4.550 -0.000 0.000 0.316 522 Y C -1.005 174.911 175.900 0.027 0.000 1.294 522 Y CA -0.712 57.406 58.100 0.030 0.000 1.198 522 Y CB 0.781 39.266 38.460 0.042 0.000 1.299 522 Y HN 0.826 nan 8.280 nan 0.000 0.413 523 N N 4.215 122.699 118.700 -0.360 0.000 2.725 523 N HA -0.167 4.573 4.740 -0.000 0.000 0.251 523 N C 0.560 176.056 175.510 -0.022 0.000 1.031 523 N CA 2.326 55.257 53.050 -0.198 0.000 0.720 523 N CB -1.104 37.322 38.487 -0.101 0.000 0.930 523 N HN 1.876 nan 8.380 nan 0.000 0.543 524 G N -0.509 108.279 108.800 -0.020 0.000 2.305 524 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.287 524 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.287 524 G C -0.292 174.630 174.900 0.037 0.000 1.036 524 G CA 0.921 46.026 45.100 0.008 0.000 0.887 524 G HN 0.745 nan 8.290 nan 0.000 0.505 525 Q N -1.538 118.305 119.800 0.071 0.000 2.379 525 Q HA 0.500 4.840 4.340 -0.000 0.000 0.278 525 Q C 0.173 176.223 176.000 0.084 0.000 1.068 525 Q CA -0.869 54.980 55.803 0.077 0.000 0.816 525 Q CB 2.924 31.720 28.738 0.095 0.000 1.387 525 Q HN 0.703 nan 8.270 nan 0.000 0.413 526 V N -1.241 118.703 119.914 0.050 0.000 2.450 526 V HA 0.040 4.160 4.120 -0.000 0.000 0.281 526 V C 0.640 176.755 176.094 0.036 0.000 1.019 526 V CA -0.391 61.931 62.300 0.036 0.000 1.062 526 V CB -0.138 31.689 31.823 0.008 0.000 0.979 526 V HN 1.085 nan 8.190 nan 0.000 0.477 527 c N 3.022 121.653 118.600 0.052 0.000 4.252 527 c HA -0.109 4.461 4.570 -0.000 0.000 0.285 527 c C 1.644 175.744 174.090 0.016 0.000 1.466 527 c CA 1.270 57.621 56.329 0.038 0.000 1.946 527 c CB -2.130 40.385 42.510 0.010 0.000 1.366 527 c HN 2.700 nan 8.230 nan 0.000 0.783 528 G N -1.468 107.372 108.800 0.066 0.000 2.215 528 G HA2 0.441 4.401 3.960 -0.000 0.000 0.198 528 G HA3 0.441 4.401 3.960 -0.000 0.000 0.198 528 G C 0.891 175.808 174.900 0.030 0.000 1.047 528 G CA 0.495 45.620 45.100 0.041 0.000 0.747 528 G HN 2.711 nan 8.290 nan 0.000 0.495 529 G N -0.230 108.599 108.800 0.048 0.000 2.907 529 G HA2 0.069 4.029 3.960 -0.000 0.000 0.242 529 G HA3 0.069 4.029 3.960 -0.000 0.000 0.242 529 G C -0.486 174.417 174.900 0.005 0.000 1.448 529 G CA 0.307 45.422 45.100 0.026 0.000 0.911 529 G HN 0.837 nan 8.290 nan 0.000 0.553 530 P HA -0.017 nan 4.420 nan 0.000 0.223 530 P C 1.848 179.148 177.300 -0.001 0.000 1.151 530 P CA 1.975 65.085 63.100 0.017 0.000 0.787 530 P CB -0.264 31.437 31.700 0.003 0.000 0.788 531 G N 0.913 109.672 108.800 -0.070 0.000 2.505 531 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.214 531 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.214 531 G C 1.792 176.508 174.900 -0.308 0.000 1.237 531 G CA 0.458 45.447 45.100 -0.184 0.000 0.802 531 G HN 0.165 nan 8.290 nan 0.000 0.549 532 R N 0.145 120.475 120.500 -0.284 0.000 2.082 532 R HA 0.150 4.490 4.340 -0.000 0.000 0.228 532 R C 1.595 177.747 176.300 -0.247 0.000 1.140 532 R CA 1.190 56.959 56.100 -0.553 0.000 0.920 532 R CB -0.474 29.639 30.300 -0.312 0.000 0.828 532 R HN 0.427 nan 8.270 nan 0.000 0.430 533 G N -1.180 107.579 108.800 -0.069 0.000 3.135 533 G HA2 0.637 4.597 3.960 -0.000 0.000 0.278 533 G HA3 0.637 4.597 3.960 -0.000 0.000 0.278 533 G C -1.463 173.392 174.900 -0.075 0.000 1.302 533 G CA -0.679 44.371 45.100 -0.084 0.000 0.880 533 G HN 0.032 nan 8.290 nan 0.000 0.574 534 L N -1.363 119.816 121.223 -0.074 0.000 2.403 534 L HA 0.604 4.944 4.340 -0.000 0.000 0.253 534 L C -1.001 175.854 176.870 -0.025 0.000 1.045 534 L CA -0.932 53.881 54.840 -0.045 0.000 0.845 534 L CB 2.519 44.589 42.059 0.018 0.000 1.447 534 L HN 0.695 nan 8.230 nan 0.000 0.411 535 c N 0.819 119.277 118.600 -0.237 0.000 2.351 535 c HA 0.738 5.308 4.570 -0.000 0.000 0.326 535 c C -1.105 172.674 174.090 -0.518 0.000 1.272 535 c CA -0.515 55.693 56.329 -0.202 0.000 1.650 535 c CB -0.142 42.283 42.510 -0.141 0.000 2.257 535 c HN 0.524 nan 8.230 nan 0.000 0.505 536 F N 4.751 124.774 119.950 0.122 0.000 3.164 536 F HA 0.333 4.860 4.527 -0.000 0.000 0.375 536 F C 0.538 176.467 175.800 0.214 0.000 1.257 536 F CA -0.471 57.655 58.000 0.209 0.000 1.171 536 F CB 0.891 39.987 39.000 0.160 0.000 1.588 536 F HN 0.942 nan 8.300 nan 0.000 0.604 537 c N 3.066 121.866 118.600 0.333 0.000 4.067 537 c HA 0.046 4.616 4.570 -0.000 0.000 0.305 537 c C 1.534 175.701 174.090 0.128 0.000 1.305 537 c CA 1.343 57.780 56.329 0.180 0.000 2.111 537 c CB -1.740 40.894 42.510 0.207 0.000 1.339 537 c HN 1.870 nan 8.230 nan 0.000 0.668 538 G N 0.838 109.696 108.800 0.097 0.000 2.900 538 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.223 538 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.223 538 G C 0.220 175.171 174.900 0.085 0.000 1.293 538 G CA 0.653 45.796 45.100 0.072 0.000 0.792 538 G HN 0.873 nan 8.290 nan 0.000 0.527 539 K N 0.597 121.064 120.400 0.111 0.000 2.185 539 K HA 0.511 4.831 4.320 -0.000 0.000 0.271 539 K C -0.248 176.433 176.600 0.135 0.000 1.013 539 K CA -0.173 56.180 56.287 0.109 0.000 0.943 539 K CB 1.199 33.761 32.500 0.104 0.000 0.998 539 K HN 0.299 nan 8.250 nan 0.000 0.468 540 c N 2.472 121.134 118.600 0.104 0.000 2.307 540 c HA 0.301 4.870 4.570 -0.000 0.000 0.340 540 c C 0.440 174.589 174.090 0.097 0.000 1.275 540 c CA -0.820 55.570 56.329 0.102 0.000 1.811 540 c CB -0.302 42.244 42.510 0.060 0.000 2.372 540 c HN 0.709 nan 8.230 nan 0.000 0.531 541 R N 2.238 122.818 120.500 0.134 0.000 2.593 541 R HA 0.255 4.595 4.340 -0.000 0.000 0.282 541 R C -0.442 175.840 176.300 -0.030 0.000 1.300 541 R CA -0.278 55.853 56.100 0.052 0.000 1.221 541 R CB 0.139 30.455 30.300 0.026 0.000 1.157 541 R HN 0.744 nan 8.270 nan 0.000 0.555 542 c N 2.178 120.769 118.600 -0.016 0.000 2.662 542 c HA 0.045 4.615 4.570 -0.000 0.000 0.420 542 c C 1.164 175.222 174.090 -0.052 0.000 1.314 542 c CA -0.386 55.926 56.329 -0.029 0.000 1.963 542 c CB -0.686 41.868 42.510 0.074 0.000 2.686 542 c HN 0.685 nan 8.230 nan 0.000 0.609 543 H N 2.455 121.472 119.070 -0.089 0.000 2.935 543 H HA 0.125 4.681 4.556 -0.000 0.000 0.376 543 H C -1.934 173.445 175.328 0.086 0.000 1.307 543 H CA 0.301 56.304 56.048 -0.075 0.000 1.442 543 H CB -0.161 29.458 29.762 -0.239 0.000 1.427 543 H HN 0.466 nan 8.280 nan 0.000 0.615 544 P HA 0.008 nan 4.420 nan 0.000 0.265 544 P C 0.604 178.121 177.300 0.362 0.000 1.193 544 P CA 1.339 64.570 63.100 0.218 0.000 0.765 544 P CB 0.543 32.328 31.700 0.142 0.000 0.823 545 G N 0.876 109.809 108.800 0.221 0.000 2.157 545 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.248 545 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.248 545 G C -0.325 174.481 174.900 -0.156 0.000 0.979 545 G CA -0.471 44.661 45.100 0.053 0.000 0.650 545 G HN 0.388 nan 8.290 nan 0.000 0.529 546 F N 1.139 121.094 119.950 0.008 0.000 2.539 546 F HA 0.617 5.144 4.527 -0.000 0.000 0.318 546 F C 0.177 175.969 175.800 -0.013 0.000 1.135 546 F CA -0.957 57.037 58.000 -0.010 0.000 0.915 546 F CB 1.726 40.720 39.000 -0.010 0.000 1.176 546 F HN 0.376 nan 8.300 nan 0.000 0.440 547 E N 1.233 121.497 120.200 0.107 0.000 2.404 547 E HA 0.921 5.271 4.350 -0.000 0.000 0.264 547 E C -0.284 176.347 176.600 0.052 0.000 0.946 547 E CA -1.436 55.004 56.400 0.068 0.000 0.806 547 E CB 2.599 32.319 29.700 0.034 0.000 1.334 547 E HN 0.891 nan 8.360 nan 0.000 0.429 548 G N -0.283 108.543 108.800 0.044 0.000 2.423 548 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.684 548 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.684 548 G C 0.262 175.191 174.900 0.048 0.000 1.309 548 G CA -0.190 44.937 45.100 0.044 0.000 0.950 548 G HN 0.404 nan 8.290 nan 0.000 0.587 549 S N -0.267 115.467 115.700 0.056 0.000 2.370 549 S HA 0.140 4.610 4.470 -0.000 0.000 0.226 549 S C 1.844 176.481 174.600 0.062 0.000 1.033 549 S CA 2.453 60.689 58.200 0.059 0.000 1.011 549 S CB -0.054 63.185 63.200 0.064 0.000 0.852 549 S HN 2.021 nan 8.310 nan 0.000 0.457 550 A N -0.832 122.028 122.820 0.068 0.000 2.806 550 A HA 0.525 4.845 4.320 -0.000 0.000 0.266 550 A C 0.534 178.107 177.584 -0.018 0.000 0.926 550 A CA -0.372 51.701 52.037 0.059 0.000 1.068 550 A CB -0.730 18.339 19.000 0.114 0.000 1.189 550 A HN 0.537 nan 8.150 nan 0.000 0.481 551 c N -0.171 118.412 118.600 -0.028 0.000 4.432 551 c HA -0.250 4.320 4.570 -0.000 0.000 0.294 551 c C 2.083 176.024 174.090 -0.248 0.000 1.398 551 c CA 1.359 57.637 56.329 -0.086 0.000 1.988 551 c CB -3.161 39.273 42.510 -0.127 0.000 1.251 551 c HN 0.884 nan 8.230 nan 0.000 0.791 552 Q N -0.756 119.014 119.800 -0.049 0.000 2.096 552 Q HA -0.041 4.299 4.340 -0.000 0.000 0.197 552 Q C 1.440 177.508 176.000 0.114 0.000 0.964 552 Q CA 1.580 57.462 55.803 0.133 0.000 0.838 552 Q CB -0.102 28.779 28.738 0.237 0.000 0.906 552 Q HN 0.763 nan 8.270 nan 0.000 0.444 553 c N 2.685 121.318 118.600 0.055 0.000 2.298 553 c HA 0.196 4.766 4.570 -0.000 0.000 0.451 553 c C 1.456 175.537 174.090 -0.015 0.000 1.028 553 c CA -0.524 55.824 56.329 0.031 0.000 1.324 553 c CB -1.288 41.237 42.510 0.025 0.000 1.534 553 c HN 0.594 nan 8.230 nan 0.000 0.528 554 E N 2.016 122.196 120.200 -0.034 0.000 2.160 554 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 554 E C 0.636 177.013 176.600 -0.372 0.000 0.991 554 E CA 1.023 57.375 56.400 -0.081 0.000 0.810 554 E CB 0.283 29.963 29.700 -0.034 0.000 0.742 554 E HN 0.703 nan 8.360 nan 0.000 0.466 555 R N -0.861 119.459 120.500 -0.299 0.000 2.670 555 R HA 0.175 4.515 4.340 -0.000 0.000 0.289 555 R C 0.219 176.406 176.300 -0.187 0.000 0.965 555 R CA -0.212 55.669 56.100 -0.365 0.000 0.899 555 R CB 1.597 31.705 30.300 -0.320 0.000 1.173 555 R HN -0.139 nan 8.270 nan 0.000 0.456 556 T N 0.805 115.260 114.554 -0.164 0.000 3.129 556 T HA -0.028 4.322 4.350 -0.000 0.000 0.251 556 T C 1.017 175.672 174.700 -0.075 0.000 1.117 556 T CA 0.717 62.765 62.100 -0.086 0.000 1.034 556 T CB -0.033 68.802 68.868 -0.055 0.000 0.968 556 T HN 0.782 nan 8.240 nan 0.000 0.526 557 T N -0.157 114.338 114.554 -0.099 0.000 2.773 557 T HA 0.280 4.630 4.350 -0.000 0.000 0.337 557 T C -0.034 174.632 174.700 -0.057 0.000 1.086 557 T CA -0.391 61.665 62.100 -0.074 0.000 0.998 557 T CB 0.445 69.261 68.868 -0.086 0.000 1.281 557 T HN 0.273 nan 8.240 nan 0.000 0.525 558 E N -0.592 119.581 120.200 -0.046 0.000 2.761 558 E HA 0.341 4.691 4.350 -0.000 0.000 0.266 558 E C 0.550 177.131 176.600 -0.032 0.000 1.097 558 E CA -0.561 55.818 56.400 -0.035 0.000 0.773 558 E CB 0.746 30.430 29.700 -0.026 0.000 1.453 558 E HN 0.881 nan 8.360 nan 0.000 0.388 559 G N 0.360 109.140 108.800 -0.033 0.000 2.848 559 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.208 559 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.208 559 G C 1.121 176.010 174.900 -0.019 0.000 1.152 559 G CA 0.155 45.239 45.100 -0.026 0.000 0.789 559 G HN 0.514 nan 8.290 nan 0.000 0.531 560 c N 0.407 118.996 118.600 -0.018 0.000 2.491 560 c HA 0.281 4.851 4.570 -0.000 0.000 0.277 560 c C 1.253 175.334 174.090 -0.014 0.000 1.455 560 c CA -0.792 55.530 56.329 -0.013 0.000 1.758 560 c CB -1.402 41.101 42.510 -0.012 0.000 1.745 560 c HN 0.270 nan 8.230 nan 0.000 0.558 561 L N 3.073 124.286 121.223 -0.017 0.000 2.349 561 L HA 0.247 4.587 4.340 -0.000 0.000 0.275 561 L C 0.357 177.218 176.870 -0.015 0.000 1.115 561 L CA -0.121 54.709 54.840 -0.016 0.000 0.820 561 L CB 0.494 42.542 42.059 -0.017 0.000 1.135 561 L HN 0.400 nan 8.230 nan 0.000 0.445 562 N N 3.616 122.308 118.700 -0.014 0.000 2.495 562 N HA 0.376 5.116 4.740 -0.000 0.000 0.294 562 N C -2.231 173.271 175.510 -0.013 0.000 1.276 562 N CA -1.990 51.053 53.050 -0.012 0.000 0.973 562 N CB -0.549 37.931 38.487 -0.011 0.000 1.143 562 N HN 0.115 nan 8.380 nan 0.000 0.589 563 P HA -0.015 nan 4.420 nan 0.000 0.220 563 P C 0.976 178.270 177.300 -0.010 0.000 1.148 563 P CA 1.153 64.246 63.100 -0.011 0.000 0.803 563 P CB 0.176 31.869 31.700 -0.011 0.000 0.782 564 R N -0.653 119.841 120.500 -0.010 0.000 2.241 564 R HA 0.010 4.349 4.340 -0.000 0.000 0.224 564 R C 0.498 176.792 176.300 -0.010 0.000 1.101 564 R CA 0.514 56.608 56.100 -0.010 0.000 0.995 564 R CB -0.715 29.576 30.300 -0.014 0.000 0.870 564 R HN 0.109 nan 8.270 nan 0.000 0.463 565 R N -0.531 119.962 120.500 -0.011 0.000 3.531 565 R HA -0.124 4.216 4.340 -0.000 0.000 0.280 565 R C -0.522 175.770 176.300 -0.013 0.000 1.130 565 R CA 0.589 56.683 56.100 -0.011 0.000 0.757 565 R CB -2.717 27.578 30.300 -0.007 0.000 1.218 565 R HN 0.208 nan 8.270 nan 0.000 0.454 566 V N 0.390 120.294 119.914 -0.017 0.000 2.487 566 V HA 0.280 4.400 4.120 -0.000 0.000 0.298 566 V C 0.317 176.396 176.094 -0.024 0.000 1.028 566 V CA -0.810 61.478 62.300 -0.021 0.000 0.860 566 V CB 1.748 33.555 31.823 -0.026 0.000 0.991 566 V HN 0.280 nan 8.190 nan 0.000 0.427 567 E N 4.442 124.628 120.200 -0.023 0.000 2.493 567 E HA 0.108 4.458 4.350 -0.000 0.000 0.255 567 E C 0.642 177.225 176.600 -0.029 0.000 0.999 567 E CA 0.463 56.850 56.400 -0.023 0.000 0.934 567 E CB 0.156 29.844 29.700 -0.020 0.000 0.940 567 E HN 0.973 nan 8.360 nan 0.000 0.473 568 c N 3.513 122.098 118.600 -0.024 0.000 4.274 568 c HA -0.272 4.298 4.570 -0.000 0.000 0.297 568 c C 1.573 175.633 174.090 -0.049 0.000 1.446 568 c CA 0.546 56.859 56.329 -0.027 0.000 2.016 568 c CB -3.228 39.269 42.510 -0.022 0.000 1.273 568 c HN 1.065 nan 8.230 nan 0.000 0.782 569 S N -0.811 114.860 115.700 -0.049 0.000 4.149 569 S HA -0.387 4.083 4.470 -0.000 0.000 0.539 569 S C 1.717 176.250 174.600 -0.112 0.000 1.811 569 S CA 2.293 60.451 58.200 -0.069 0.000 4.174 569 S CB -1.519 61.645 63.200 -0.059 0.000 0.756 569 S HN 1.563 nan 8.310 nan 0.000 0.470 570 G N 1.947 110.636 108.800 -0.185 0.000 2.556 570 G HA2 0.141 4.100 3.960 -0.000 0.000 0.215 570 G HA3 0.141 4.100 3.960 -0.000 0.000 0.215 570 G C 0.419 175.190 174.900 -0.215 0.000 1.258 570 G CA 1.003 45.947 45.100 -0.261 0.000 0.811 570 G HN 0.507 nan 8.290 nan 0.000 0.557 571 R N -0.888 119.474 120.500 -0.230 0.000 2.771 571 R HA 0.600 4.940 4.340 -0.000 0.000 0.274 571 R C -0.694 175.574 176.300 -0.053 0.000 0.987 571 R CA 0.096 56.123 56.100 -0.122 0.000 0.908 571 R CB 1.552 31.794 30.300 -0.097 0.000 1.213 571 R HN 0.874 nan 8.270 nan 0.000 0.468 572 G N 2.070 110.862 108.800 -0.014 0.000 2.952 572 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.431 572 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.431 572 G C -0.742 174.158 174.900 0.001 0.000 1.325 572 G CA -0.908 44.198 45.100 0.010 0.000 1.146 572 G HN 0.563 nan 8.290 nan 0.000 0.581 573 R N 0.835 121.340 120.500 0.009 0.000 2.756 573 R HA 0.369 4.709 4.340 -0.000 0.000 0.264 573 R C 0.434 176.737 176.300 0.004 0.000 1.026 573 R CA 0.268 56.371 56.100 0.005 0.000 1.121 573 R CB 0.537 30.844 30.300 0.010 0.000 0.999 573 R HN 0.791 nan 8.270 nan 0.000 0.449 574 c N 5.844 124.444 118.600 -0.001 0.000 2.125 574 c HA 0.401 4.971 4.570 -0.000 0.000 0.355 574 c C -0.287 173.802 174.090 -0.002 0.000 1.047 574 c CA -0.595 55.732 56.329 -0.003 0.000 1.501 574 c CB -1.253 41.251 42.510 -0.009 0.000 1.783 574 c HN 0.717 nan 8.230 nan 0.000 0.455 575 R N 3.746 124.248 120.500 0.004 0.000 2.215 575 R HA 0.396 4.736 4.340 -0.000 0.000 0.336 575 R C 0.413 176.718 176.300 0.008 0.000 0.996 575 R CA -0.264 55.841 56.100 0.007 0.000 0.847 575 R CB 0.515 30.824 30.300 0.015 0.000 1.127 575 R HN 0.841 nan 8.270 nan 0.000 0.465 576 c N 3.095 121.694 118.600 -0.001 0.000 4.424 576 c HA -0.130 4.440 4.570 -0.000 0.000 0.304 576 c C 0.175 174.262 174.090 -0.006 0.000 1.344 576 c CA 0.067 56.394 56.329 -0.004 0.000 2.033 576 c CB -2.472 40.052 42.510 0.022 0.000 1.264 576 c HN 1.098 nan 8.230 nan 0.000 0.750 577 N N -2.330 116.360 118.700 -0.017 0.000 2.725 577 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 577 N C -0.487 175.022 175.510 -0.002 0.000 1.103 577 N CA 1.390 54.431 53.050 -0.016 0.000 0.707 577 N CB -0.792 37.681 38.487 -0.024 0.000 1.043 577 N HN 0.848 nan 8.380 nan 0.000 0.553 578 V N -1.030 118.886 119.914 0.003 0.000 3.078 578 V HA 0.571 4.691 4.120 -0.000 0.000 0.311 578 V C 0.190 176.290 176.094 0.009 0.000 1.138 578 V CA -0.852 61.454 62.300 0.009 0.000 1.007 578 V CB 2.705 34.538 31.823 0.017 0.000 1.045 578 V HN 0.200 nan 8.190 nan 0.000 0.432 579 c N 1.293 119.901 118.600 0.013 0.000 2.411 579 c HA 0.529 5.099 4.570 -0.000 0.000 0.330 579 c C 0.507 174.610 174.090 0.022 0.000 1.224 579 c CA -0.602 55.736 56.329 0.014 0.000 1.770 579 c CB 0.999 43.516 42.510 0.011 0.000 2.297 579 c HN 0.995 nan 8.230 nan 0.000 0.507 580 E N 1.158 121.372 120.200 0.024 0.000 2.360 580 E HA 0.228 4.578 4.350 -0.000 0.000 0.253 580 E C -0.508 176.120 176.600 0.047 0.000 1.189 580 E CA -0.323 56.096 56.400 0.033 0.000 1.252 580 E CB 0.047 29.766 29.700 0.032 0.000 1.408 580 E HN 0.798 nan 8.360 nan 0.000 0.464 581 c N 3.333 121.966 118.600 0.055 0.000 2.523 581 c HA -0.039 4.531 4.570 -0.000 0.000 0.406 581 c C 1.032 175.192 174.090 0.116 0.000 1.449 581 c CA -0.383 55.996 56.329 0.084 0.000 1.588 581 c CB -1.074 41.515 42.510 0.132 0.000 2.514 581 c HN 0.618 nan 8.230 nan 0.000 0.606 582 H N 2.468 121.558 119.070 0.034 0.000 2.745 582 H HA 0.137 4.693 4.556 -0.000 0.000 0.373 582 H C 1.137 176.566 175.328 0.168 0.000 1.226 582 H CA 1.788 57.874 56.048 0.064 0.000 1.435 582 H CB 0.743 30.518 29.762 0.022 0.000 1.461 582 H HN 0.946 nan 8.280 nan 0.000 0.616 583 S N 0.804 116.285 115.700 -0.365 0.000 3.144 583 S HA -0.286 4.184 4.470 -0.000 0.000 0.629 583 S C 1.470 176.093 174.600 0.037 0.000 2.962 583 S CA 1.422 59.590 58.200 -0.053 0.000 3.700 583 S CB -1.486 61.879 63.200 0.274 0.000 0.286 583 S HN 1.027 nan 8.310 nan 0.000 1.464 584 G N -0.552 108.274 108.800 0.043 0.000 2.985 584 G HA2 0.277 4.237 3.960 -0.000 0.000 0.209 584 G HA3 0.277 4.237 3.960 -0.000 0.000 0.209 584 G C 0.131 175.023 174.900 -0.012 0.000 1.165 584 G CA 0.204 45.294 45.100 -0.017 0.000 0.776 584 G HN 0.578 nan 8.290 nan 0.000 0.541 585 Y N 1.251 121.562 120.300 0.019 0.000 2.702 585 Y HA 0.095 4.645 4.550 -0.000 0.000 0.336 585 Y C 1.162 177.069 175.900 0.013 0.000 1.235 585 Y CA 0.376 58.490 58.100 0.023 0.000 1.492 585 Y CB 0.569 39.051 38.460 0.038 0.000 1.308 585 Y HN 0.092 nan 8.280 nan 0.000 0.589 586 Q N 1.668 121.552 119.800 0.140 0.000 2.418 586 Q HA 0.453 4.793 4.340 -0.000 0.000 0.276 586 Q C -0.908 175.137 176.000 0.074 0.000 1.081 586 Q CA -1.172 54.676 55.803 0.076 0.000 0.864 586 Q CB 1.937 30.694 28.738 0.031 0.000 1.384 586 Q HN 0.465 nan 8.270 nan 0.000 0.467 587 L N 1.277 122.527 121.223 0.046 0.000 2.456 587 L HA 0.213 4.553 4.340 -0.000 0.000 0.257 587 L C -1.270 175.618 176.870 0.030 0.000 1.162 587 L CA -0.761 54.101 54.840 0.036 0.000 0.808 587 L CB -0.477 41.596 42.059 0.025 0.000 1.136 587 L HN 0.542 nan 8.230 nan 0.000 0.466 588 P HA 0.133 nan 4.420 nan 0.000 0.224 588 P C 0.989 178.301 177.300 0.021 0.000 1.159 588 P CA 0.753 63.865 63.100 0.019 0.000 0.824 588 P CB 0.384 32.090 31.700 0.011 0.000 0.833 589 L N -1.186 120.051 121.223 0.023 0.000 2.728 589 L HA 0.229 4.569 4.340 -0.000 0.000 0.238 589 L C -0.338 176.546 176.870 0.022 0.000 1.143 589 L CA -0.273 54.576 54.840 0.015 0.000 0.937 589 L CB -0.467 41.596 42.059 0.007 0.000 1.225 589 L HN -0.085 nan 8.230 nan 0.000 0.507 590 c N 1.494 120.127 118.600 0.055 0.000 3.756 590 c HA -0.116 4.454 4.570 -0.000 0.000 0.306 590 c C 1.543 175.703 174.090 0.116 0.000 1.131 590 c CA 0.645 57.031 56.329 0.094 0.000 2.333 590 c CB -2.067 40.454 42.510 0.018 0.000 1.414 590 c HN 0.784 nan 8.230 nan 0.000 0.576 591 Q N -0.021 119.896 119.800 0.195 0.000 2.599 591 Q HA 0.177 4.517 4.340 -0.000 0.000 0.229 591 Q C 0.247 176.428 176.000 0.302 0.000 0.800 591 Q CA 0.600 56.532 55.803 0.215 0.000 0.937 591 Q CB 0.206 29.002 28.738 0.096 0.000 1.285 591 Q HN 0.828 nan 8.270 nan 0.000 0.600 592 E N 1.196 121.488 120.200 0.154 0.000 2.105 592 E HA 0.263 4.613 4.350 -0.000 0.000 0.285 592 E C -1.012 175.533 176.600 -0.092 0.000 1.055 592 E CA -0.339 56.080 56.400 0.031 0.000 0.843 592 E CB 1.228 30.936 29.700 0.014 0.000 1.067 592 E HN 0.286 nan 8.360 nan 0.000 0.398 593 C N 7.036 126.127 119.300 -0.348 0.000 2.125 593 C HA 0.322 4.782 4.460 -0.000 0.000 0.355 593 C C -1.432 173.417 174.990 -0.235 0.000 1.047 593 C CA -2.142 56.591 59.018 -0.474 0.000 1.501 593 C CB -0.833 26.284 27.740 -1.039 0.000 1.783 593 C HN 0.632 nan 8.230 nan 0.000 0.455 594 P HA 0.022 nan 4.420 nan 0.000 0.226 594 P C 1.353 178.611 177.300 -0.070 0.000 1.146 594 P CA 1.454 64.507 63.100 -0.078 0.000 0.773 594 P CB 0.122 31.792 31.700 -0.051 0.000 0.772 595 G N -2.012 106.736 108.800 -0.087 0.000 2.762 595 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.209 595 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.209 595 G C 0.242 175.109 174.900 -0.054 0.000 1.134 595 G CA -0.075 44.990 45.100 -0.059 0.000 0.781 595 G HN 0.228 nan 8.290 nan 0.000 0.528 596 C N 2.425 121.675 119.300 -0.084 0.000 2.550 596 C HA 0.117 4.577 4.460 -0.000 0.000 0.406 596 C C 0.400 175.380 174.990 -0.017 0.000 1.366 596 C CA -0.583 58.404 59.018 -0.051 0.000 1.712 596 C CB 1.370 29.061 27.740 -0.081 0.000 2.613 596 C HN 0.400 nan 8.230 nan 0.000 0.608 597 P HA -0.030 nan 4.420 nan 0.000 0.213 597 P C 0.281 177.592 177.300 0.019 0.000 1.170 597 P CA 1.406 64.516 63.100 0.017 0.000 0.889 597 P CB 0.120 31.839 31.700 0.032 0.000 0.782 598 S N -0.928 114.793 115.700 0.035 0.000 4.344 598 S HA 0.034 4.504 4.470 -0.000 0.000 0.189 598 S C -2.782 171.844 174.600 0.042 0.000 0.768 598 S CA -0.749 57.468 58.200 0.028 0.000 0.976 598 S CB -1.661 61.545 63.200 0.009 0.000 0.443 598 S HN 0.081 nan 8.310 nan 0.000 0.807 599 P HA 0.345 nan 4.420 nan 0.000 0.269 599 P C 0.564 177.961 177.300 0.161 0.000 1.263 599 P CA -0.260 62.943 63.100 0.172 0.000 0.813 599 P CB 0.408 32.293 31.700 0.309 0.000 0.868 600 c N 2.566 121.272 118.600 0.177 0.000 2.700 600 c HA 0.218 4.788 4.570 -0.000 0.000 0.297 600 c C 1.694 175.992 174.090 0.347 0.000 1.293 600 c CA 0.551 57.019 56.329 0.232 0.000 1.756 600 c CB -0.372 42.219 42.510 0.135 0.000 2.210 600 c HN 0.662 nan 8.230 nan 0.000 0.553 601 G N 0.088 109.029 108.800 0.234 0.000 2.630 601 G HA2 0.316 4.275 3.960 -0.000 0.000 0.236 601 G HA3 0.316 4.275 3.960 -0.000 0.000 0.236 601 G C 0.462 175.417 174.900 0.092 0.000 1.248 601 G CA 0.284 45.471 45.100 0.144 0.000 0.844 601 G HN 0.626 nan 8.290 nan 0.000 0.588 602 K N -0.328 120.063 120.400 -0.015 0.000 3.572 602 K HA -0.267 4.053 4.320 -0.000 0.000 0.306 602 K C 0.873 177.301 176.600 -0.287 0.000 1.286 602 K CA 1.970 58.157 56.287 -0.168 0.000 1.010 602 K CB -1.116 31.217 32.500 -0.278 0.000 1.268 602 K HN 0.594 nan 8.250 nan 0.000 0.438 603 Y N -0.535 119.760 120.300 -0.007 0.000 2.462 603 Y HA 0.191 4.741 4.550 -0.000 0.000 0.253 603 Y C 2.051 177.903 175.900 -0.080 0.000 1.095 603 Y CA -0.191 57.874 58.100 -0.059 0.000 1.283 603 Y CB 0.397 38.808 38.460 -0.082 0.000 1.138 603 Y HN -0.010 nan 8.280 nan 0.000 0.522 604 I N -0.659 119.984 120.570 0.123 0.000 2.252 604 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 604 I C 2.521 178.663 176.117 0.042 0.000 1.102 604 I CA 1.438 62.784 61.300 0.077 0.000 1.385 604 I CB -1.249 36.819 38.000 0.113 0.000 1.064 604 I HN 0.164 nan 8.210 nan 0.000 0.414 605 S N -0.145 115.606 115.700 0.085 0.000 2.400 605 S HA -0.187 4.283 4.470 -0.000 0.000 0.232 605 S C 2.122 176.687 174.600 -0.058 0.000 1.025 605 S CA 1.689 59.972 58.200 0.139 0.000 0.993 605 S CB -0.166 63.174 63.200 0.233 0.000 0.808 605 S HN 0.531 nan 8.310 nan 0.000 0.478 606 c N 0.840 119.405 118.600 -0.059 0.000 2.634 606 c HA 0.530 5.100 4.570 -0.000 0.000 0.268 606 c C 2.887 176.912 174.090 -0.109 0.000 1.322 606 c CA -0.155 56.121 56.329 -0.088 0.000 1.737 606 c CB -1.133 41.348 42.510 -0.048 0.000 1.976 606 c HN 0.715 nan 8.230 nan 0.000 0.547 607 A N 1.823 124.556 122.820 -0.146 0.000 1.929 607 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 607 A C 2.026 179.538 177.584 -0.119 0.000 1.176 607 A CA 1.598 53.497 52.037 -0.230 0.000 0.628 607 A CB -0.501 18.207 19.000 -0.488 0.000 0.816 607 A HN 0.801 nan 8.150 nan 0.000 0.444 608 E N -1.536 118.600 120.200 -0.108 0.000 2.489 608 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 608 E C 1.251 177.802 176.600 -0.081 0.000 1.057 608 E CA 0.613 56.975 56.400 -0.063 0.000 0.866 608 E CB -0.400 29.237 29.700 -0.105 0.000 0.916 608 E HN 0.436 nan 8.360 nan 0.000 0.500 609 c N 0.120 118.644 118.600 -0.126 0.000 2.926 609 c HA 0.375 4.945 4.570 -0.000 0.000 0.272 609 c C 1.582 175.627 174.090 -0.075 0.000 1.249 609 c CA -0.193 56.050 56.329 -0.144 0.000 1.691 609 c CB -0.811 41.583 42.510 -0.193 0.000 1.983 609 c HN 0.544 nan 8.230 nan 0.000 0.615 610 L N -0.027 121.169 121.223 -0.045 0.000 2.670 610 L HA 0.275 4.615 4.340 -0.000 0.000 0.177 610 L C 2.339 179.196 176.870 -0.020 0.000 1.181 610 L CA 0.297 55.118 54.840 -0.032 0.000 0.856 610 L CB -0.963 41.076 42.059 -0.034 0.000 1.205 610 L HN -0.050 nan 8.230 nan 0.000 0.506 611 K N 1.029 121.431 120.400 0.004 0.000 1.967 611 K HA -0.029 4.291 4.320 -0.000 0.000 0.212 611 K C 0.450 177.012 176.600 -0.063 0.000 1.044 611 K CA 1.394 57.664 56.287 -0.027 0.000 0.942 611 K CB -0.573 31.944 32.500 0.028 0.000 0.726 611 K HN -0.131 nan 8.250 nan 0.000 0.440 612 F N 1.583 121.486 119.950 -0.079 0.000 2.403 612 F HA 0.233 4.760 4.527 -0.000 0.000 0.320 612 F C 0.783 176.537 175.800 -0.076 0.000 1.176 612 F CA -0.213 57.749 58.000 -0.062 0.000 1.206 612 F CB 0.536 39.507 39.000 -0.048 0.000 1.235 612 F HN 0.044 nan 8.300 nan 0.000 0.565 613 E N 1.391 121.656 120.200 0.109 0.000 3.170 613 E HA 0.077 4.427 4.350 -0.000 0.000 0.212 613 E C -0.312 176.297 176.600 0.015 0.000 1.143 613 E CA -0.092 56.320 56.400 0.021 0.000 1.139 613 E CB 0.704 30.401 29.700 -0.006 0.000 1.346 613 E HN 0.492 nan 8.360 nan 0.000 0.432 614 K N 0.564 120.957 120.400 -0.011 0.000 2.965 614 K HA 0.249 4.569 4.320 -0.000 0.000 0.216 614 K C 0.047 176.549 176.600 -0.165 0.000 1.164 614 K CA 0.017 56.291 56.287 -0.020 0.000 1.153 614 K CB 0.050 32.568 32.500 0.029 0.000 1.045 614 K HN 0.481 nan 8.250 nan 0.000 0.460 615 G N 3.099 111.783 108.800 -0.193 0.000 3.316 615 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.445 615 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.445 615 G C -2.708 171.820 174.900 -0.621 0.000 1.002 615 G CA -0.956 43.989 45.100 -0.258 0.000 0.818 615 G HN 0.215 nan 8.290 nan 0.000 0.404 616 P HA 0.119 nan 4.420 nan 0.000 0.259 616 P C 0.847 178.014 177.300 -0.221 0.000 1.211 616 P CA 0.263 63.162 63.100 -0.335 0.000 0.810 616 P CB 0.059 31.667 31.700 -0.153 0.000 0.815 617 F N 2.418 122.355 119.950 -0.022 0.000 2.012 617 F HA -0.034 4.493 4.527 -0.000 0.000 0.289 617 F C 2.835 178.622 175.800 -0.022 0.000 1.185 617 F CA 1.018 59.004 58.000 -0.023 0.000 1.149 617 F CB -1.375 37.607 39.000 -0.030 0.000 0.994 617 F HN 0.273 nan 8.300 nan 0.000 0.481 618 G N -0.125 108.792 108.800 0.196 0.000 2.606 618 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.221 618 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.221 618 G C 1.058 175.991 174.900 0.055 0.000 1.152 618 G CA 1.897 47.051 45.100 0.090 0.000 0.765 618 G HN 0.347 nan 8.290 nan 0.000 0.595 619 K N -2.186 118.237 120.400 0.038 0.000 2.359 619 K HA 0.267 4.587 4.320 -0.000 0.000 0.315 619 K C 0.132 176.732 176.600 0.001 0.000 1.027 619 K CA -0.545 55.753 56.287 0.018 0.000 0.806 619 K CB 0.100 32.605 32.500 0.008 0.000 3.499 619 K HN 0.112 nan 8.250 nan 0.000 1.216 620 N N -0.566 118.126 118.700 -0.013 0.000 2.992 620 N HA 0.481 5.221 4.740 -0.000 0.000 0.338 620 N C -1.092 174.392 175.510 -0.043 0.000 1.376 620 N CA -0.536 52.496 53.050 -0.031 0.000 0.778 620 N CB 1.182 39.655 38.487 -0.023 0.000 1.232 620 N HN 0.409 nan 8.380 nan 0.000 0.581 621 c N -1.788 116.784 118.600 -0.047 0.000 3.235 621 c HA 0.565 5.135 4.570 -0.000 0.000 0.351 621 c C 0.302 174.376 174.090 -0.026 0.000 1.520 621 c CA -0.149 56.153 56.329 -0.045 0.000 1.474 621 c CB 0.951 43.420 42.510 -0.068 0.000 2.019 621 c HN 0.836 nan 8.230 nan 0.000 0.446 622 S N -1.002 114.687 115.700 -0.018 0.000 3.261 622 S HA -0.226 4.244 4.470 -0.000 0.000 0.287 622 S C 0.330 174.929 174.600 -0.002 0.000 1.281 622 S CA 1.359 59.555 58.200 -0.005 0.000 1.053 622 S CB -1.636 61.560 63.200 -0.007 0.000 1.251 622 S HN 1.299 nan 8.310 nan 0.000 0.659 623 A N -0.364 122.453 122.820 -0.005 0.000 1.780 623 A HA 0.787 5.107 4.320 -0.000 0.000 0.208 623 A C 1.386 178.969 177.584 -0.002 0.000 1.761 623 A CA 0.784 52.819 52.037 -0.002 0.000 1.183 623 A CB -0.406 18.591 19.000 -0.005 0.000 1.162 623 A HN 1.236 nan 8.150 nan 0.000 0.472 624 A N -1.001 121.814 122.820 -0.009 0.000 2.415 624 A HA 0.451 4.770 4.320 -0.000 0.000 0.248 624 A C 0.285 177.860 177.584 -0.016 0.000 1.299 624 A CA 0.547 52.576 52.037 -0.013 0.000 0.899 624 A CB -0.935 18.055 19.000 -0.016 0.000 0.997 624 A HN 0.665 nan 8.150 nan 0.000 0.506 625 c N 0.236 118.834 118.600 -0.002 0.000 3.421 625 c HA 0.276 4.846 4.570 -0.000 0.000 0.194 625 c C -1.912 172.203 174.090 0.042 0.000 1.418 625 c CA -0.805 55.532 56.329 0.013 0.000 1.226 625 c CB 0.393 42.899 42.510 -0.007 0.000 1.875 625 c HN 0.456 nan 8.230 nan 0.000 0.561 626 P HA 0.032 nan 4.420 nan 0.000 0.251 626 P C 1.016 178.386 177.300 0.116 0.000 1.251 626 P CA 0.843 63.987 63.100 0.073 0.000 0.763 626 P CB -0.098 31.643 31.700 0.068 0.000 1.067 627 G N 0.876 109.765 108.800 0.149 0.000 3.197 627 G HA2 0.041 4.001 3.960 -0.000 0.000 0.257 627 G HA3 0.041 4.001 3.960 -0.000 0.000 0.257 627 G C 0.935 175.902 174.900 0.113 0.000 0.835 627 G CA -0.327 44.887 45.100 0.190 0.000 2.001 627 G HN 0.131 nan 8.290 nan 0.000 0.625 628 L N 0.016 121.290 121.223 0.085 0.000 2.129 628 L HA -0.027 4.313 4.340 -0.000 0.000 0.212 628 L C 1.633 178.533 176.870 0.049 0.000 1.087 628 L CA 1.484 56.356 54.840 0.053 0.000 0.757 628 L CB -0.261 41.822 42.059 0.041 0.000 0.896 628 L HN 0.425 nan 8.230 nan 0.000 0.434 629 Q N -0.618 119.220 119.800 0.063 0.000 2.235 629 Q HA 0.390 4.730 4.340 -0.000 0.000 0.250 629 Q C -0.822 175.217 176.000 0.066 0.000 0.909 629 Q CA -0.271 55.567 55.803 0.059 0.000 0.910 629 Q CB 1.801 30.576 28.738 0.061 0.000 1.223 629 Q HN 0.132 nan 8.270 nan 0.000 0.432 630 L N 2.117 123.376 121.223 0.061 0.000 2.669 630 L HA 0.163 4.503 4.340 -0.000 0.000 0.273 630 L C -0.561 176.366 176.870 0.096 0.000 1.441 630 L CA -0.080 54.801 54.840 0.068 0.000 0.745 630 L CB 0.906 42.985 42.059 0.033 0.000 1.044 630 L HN 0.666 nan 8.230 nan 0.000 0.523 631 S N -0.351 115.415 115.700 0.110 0.000 2.571 631 S HA -0.012 4.458 4.470 -0.000 0.000 0.298 631 S C 0.583 175.292 174.600 0.182 0.000 1.280 631 S CA 0.045 58.313 58.200 0.114 0.000 1.052 631 S CB 0.185 63.441 63.200 0.093 0.000 0.799 631 S HN 0.537 nan 8.310 nan 0.000 0.501 632 N N 3.448 122.233 118.700 0.143 0.000 3.091 632 N HA 0.256 4.996 4.740 -0.000 0.000 0.301 632 N C -0.794 174.774 175.510 0.096 0.000 1.325 632 N CA -0.052 53.109 53.050 0.185 0.000 1.143 632 N CB -0.694 37.861 38.487 0.114 0.000 1.450 632 N HN 0.507 nan 8.380 nan 0.000 0.542 633 N N -0.331 118.384 118.700 0.026 0.000 2.494 633 N HA 0.334 5.074 4.740 -0.000 0.000 0.270 633 N C -2.756 172.541 175.510 -0.355 0.000 1.285 633 N CA -1.284 51.680 53.050 -0.143 0.000 0.812 633 N CB 1.965 40.420 38.487 -0.052 0.000 1.557 633 N HN -0.156 nan 8.380 nan 0.000 0.487 634 P HA 0.039 nan 4.420 nan 0.000 0.231 634 P C 0.208 177.423 177.300 -0.142 0.000 1.756 634 P CA -0.159 62.741 63.100 -0.334 0.000 0.990 634 P CB -0.294 31.273 31.700 -0.221 0.000 1.973 635 V N -1.237 118.630 119.914 -0.078 0.000 3.237 635 V HA 0.353 4.473 4.120 -0.000 0.000 0.305 635 V C 0.406 176.518 176.094 0.030 0.000 1.096 635 V CA -0.055 62.249 62.300 0.006 0.000 1.130 635 V CB 0.711 32.570 31.823 0.059 0.000 1.048 635 V HN 0.176 nan 8.190 nan 0.000 0.484 636 K N 0.458 120.881 120.400 0.039 0.000 2.499 636 K HA 0.736 5.056 4.320 -0.000 0.000 0.284 636 K C 0.397 177.024 176.600 0.045 0.000 1.039 636 K CA -0.437 55.876 56.287 0.042 0.000 0.873 636 K CB 1.648 34.160 32.500 0.019 0.000 1.545 636 K HN 1.100 nan 8.250 nan 0.000 0.402 637 G N 0.308 109.130 108.800 0.037 0.000 3.151 637 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.197 637 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.197 637 G C -0.500 174.419 174.900 0.032 0.000 1.682 637 G CA -0.585 44.535 45.100 0.034 0.000 1.205 637 G HN 0.267 nan 8.290 nan 0.000 0.510 638 R N 2.216 122.743 120.500 0.044 0.000 4.017 638 R HA 0.350 4.690 4.340 -0.000 0.000 0.272 638 R C 0.295 176.602 176.300 0.011 0.000 1.516 638 R CA 0.293 56.411 56.100 0.030 0.000 1.519 638 R CB 0.010 30.338 30.300 0.047 0.000 1.422 638 R HN 0.384 nan 8.270 nan 0.000 0.719 639 T N 0.866 115.421 114.554 0.000 0.000 2.640 639 T HA -0.071 4.279 4.350 -0.000 0.000 0.252 639 T C 0.354 175.009 174.700 -0.075 0.000 1.038 639 T CA 0.293 62.379 62.100 -0.022 0.000 1.307 639 T CB -0.721 68.135 68.868 -0.018 0.000 1.014 639 T HN 0.431 nan 8.240 nan 0.000 0.523 640 c N 5.485 123.996 118.600 -0.148 0.000 2.358 640 c HA 0.819 5.388 4.570 -0.000 0.000 0.354 640 c C -0.176 173.644 174.090 -0.449 0.000 1.183 640 c CA -0.772 55.385 56.329 -0.287 0.000 2.150 640 c CB 0.826 43.130 42.510 -0.344 0.000 2.361 640 c HN 1.047 nan 8.230 nan 0.000 0.535 641 K N 3.660 123.838 120.400 -0.369 0.000 2.805 641 K HA 0.281 4.601 4.320 -0.000 0.000 0.276 641 K C -0.813 175.742 176.600 -0.076 0.000 1.209 641 K CA -0.120 56.008 56.287 -0.265 0.000 1.065 641 K CB 0.308 32.734 32.500 -0.123 0.000 1.363 641 K HN 0.812 nan 8.250 nan 0.000 0.546 642 E N 1.541 121.702 120.200 -0.065 0.000 2.518 642 E HA 0.489 4.839 4.350 -0.000 0.000 0.241 642 E C -0.114 176.558 176.600 0.119 0.000 0.899 642 E CA -0.780 55.677 56.400 0.095 0.000 0.888 642 E CB 1.017 30.770 29.700 0.088 0.000 1.426 642 E HN 0.443 nan 8.360 nan 0.000 0.401 643 R N 0.559 121.057 120.500 -0.003 0.000 2.606 643 R HA 0.247 4.587 4.340 -0.000 0.000 0.249 643 R C 0.248 176.501 176.300 -0.077 0.000 1.127 643 R CA -0.589 55.408 56.100 -0.172 0.000 1.133 643 R CB 0.345 30.398 30.300 -0.411 0.000 1.243 643 R HN 0.572 nan 8.270 nan 0.000 0.558 644 D N -0.967 119.352 120.400 -0.135 0.000 2.541 644 D HA 0.007 4.647 4.640 -0.000 0.000 0.276 644 D C 0.812 177.078 176.300 -0.056 0.000 1.190 644 D CA -0.340 53.611 54.000 -0.082 0.000 1.095 644 D CB -0.215 40.504 40.800 -0.135 0.000 1.173 644 D HN 0.402 nan 8.370 nan 0.000 0.604 645 S N -1.689 114.016 115.700 0.008 0.000 2.436 645 S HA -0.032 4.438 4.470 -0.000 0.000 0.228 645 S C 0.428 174.979 174.600 -0.082 0.000 1.014 645 S CA 0.389 58.587 58.200 -0.003 0.000 0.950 645 S CB -0.417 62.895 63.200 0.186 0.000 0.784 645 S HN 0.563 nan 8.310 nan 0.000 0.504 646 E N 0.259 120.412 120.200 -0.080 0.000 3.074 646 E HA 0.459 4.809 4.350 -0.000 0.000 0.287 646 E C 0.394 176.916 176.600 -0.129 0.000 1.194 646 E CA -0.128 56.213 56.400 -0.097 0.000 0.836 646 E CB 0.852 30.517 29.700 -0.057 0.000 1.468 646 E HN 0.357 nan 8.360 nan 0.000 0.383 647 G N 1.151 109.830 108.800 -0.201 0.000 4.365 647 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.214 647 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.214 647 G C 0.591 175.250 174.900 -0.402 0.000 1.450 647 G CA -0.170 44.763 45.100 -0.280 0.000 0.937 647 G HN 0.540 nan 8.290 nan 0.000 0.625 648 c N 2.591 121.054 118.600 -0.227 0.000 2.596 648 c HA 0.277 4.847 4.570 -0.000 0.000 0.414 648 c C 0.956 174.949 174.090 -0.161 0.000 1.396 648 c CA -0.312 55.937 56.329 -0.133 0.000 1.698 648 c CB -0.903 41.574 42.510 -0.055 0.000 2.572 648 c HN 0.326 nan 8.230 nan 0.000 0.604 649 W N 4.403 125.683 121.300 -0.032 0.000 2.585 649 W HA 0.328 4.988 4.660 -0.000 0.000 0.337 649 W C -0.461 176.036 176.519 -0.036 0.000 1.226 649 W CA -0.105 57.222 57.345 -0.029 0.000 1.463 649 W CB 0.263 29.709 29.460 -0.023 0.000 1.458 649 W HN 0.399 nan 8.180 nan 0.000 0.458 650 V N 4.591 124.574 119.914 0.116 0.000 2.408 650 V HA 0.326 4.446 4.120 -0.000 0.000 0.267 650 V C 0.709 176.901 176.094 0.164 0.000 1.047 650 V CA -0.635 61.719 62.300 0.089 0.000 0.937 650 V CB 0.387 32.208 31.823 -0.004 0.000 0.999 650 V HN 0.494 nan 8.190 nan 0.000 0.472 651 A N 5.982 128.885 122.820 0.137 0.000 2.293 651 A HA 0.914 5.234 4.320 -0.000 0.000 0.302 651 A C -0.728 176.953 177.584 0.161 0.000 1.119 651 A CA -0.363 51.697 52.037 0.039 0.000 0.823 651 A CB 0.593 19.627 19.000 0.056 0.000 1.097 651 A HN 1.370 nan 8.150 nan 0.000 0.491 652 Y N -1.346 118.995 120.300 0.068 0.000 2.380 652 Y HA 0.466 5.016 4.550 -0.000 0.000 0.320 652 Y C -0.072 175.872 175.900 0.075 0.000 1.272 652 Y CA -0.585 57.559 58.100 0.074 0.000 1.165 652 Y CB -0.199 38.282 38.460 0.036 0.000 1.319 652 Y HN 0.904 nan 8.280 nan 0.000 0.443 653 T N 0.687 115.392 114.554 0.253 0.000 2.732 653 T HA 0.630 4.979 4.350 -0.000 0.000 0.287 653 T C -0.878 173.965 174.700 0.239 0.000 0.993 653 T CA -0.400 61.805 62.100 0.175 0.000 0.966 653 T CB 1.524 70.482 68.868 0.150 0.000 1.047 653 T HN 1.105 nan 8.240 nan 0.000 0.527 654 L N 0.769 122.087 121.223 0.158 0.000 2.564 654 L HA 0.389 4.729 4.340 -0.000 0.000 0.259 654 L C -0.617 176.349 176.870 0.160 0.000 1.101 654 L CA -0.252 54.676 54.840 0.148 0.000 0.900 654 L CB 1.096 43.199 42.059 0.073 0.000 1.110 654 L HN 0.972 nan 8.230 nan 0.000 0.468 655 E N 3.408 123.707 120.200 0.164 0.000 2.001 655 E HA 0.189 4.539 4.350 -0.000 0.000 0.279 655 E C -0.277 176.418 176.600 0.158 0.000 1.045 655 E CA -0.257 56.226 56.400 0.138 0.000 0.833 655 E CB 0.700 30.456 29.700 0.094 0.000 1.077 655 E HN 0.680 nan 8.360 nan 0.000 0.397 656 Q N 3.163 123.061 119.800 0.162 0.000 2.492 656 Q HA 0.010 4.350 4.340 -0.000 0.000 0.238 656 Q C -0.806 175.149 176.000 -0.075 0.000 1.045 656 Q CA 0.208 55.984 55.803 -0.044 0.000 0.934 656 Q CB 0.736 29.404 28.738 -0.115 0.000 1.276 656 Q HN 0.447 nan 8.270 nan 0.000 0.521 657 Q N 2.177 121.876 119.800 -0.168 0.000 2.280 657 Q HA 0.211 4.551 4.340 -0.000 0.000 0.259 657 Q C -1.065 174.863 176.000 -0.119 0.000 0.964 657 Q CA -0.255 55.491 55.803 -0.094 0.000 0.844 657 Q CB 1.735 30.444 28.738 -0.048 0.000 1.334 657 Q HN 0.869 nan 8.270 nan 0.000 0.423 658 D N 0.965 121.311 120.400 -0.090 0.000 4.230 658 D HA -0.220 4.420 4.640 -0.000 0.000 0.138 658 D C 0.407 176.623 176.300 -0.141 0.000 0.772 658 D CA 2.059 56.001 54.000 -0.096 0.000 1.136 658 D CB -0.988 39.769 40.800 -0.072 0.000 0.547 658 D HN 0.711 nan 8.370 nan 0.000 0.537 659 G N -0.358 108.365 108.800 -0.129 0.000 2.338 659 G HA2 0.517 4.477 3.960 -0.000 0.000 0.298 659 G HA3 0.517 4.477 3.960 -0.000 0.000 0.298 659 G C 0.861 175.677 174.900 -0.139 0.000 1.140 659 G CA 0.448 45.467 45.100 -0.135 0.000 0.860 659 G HN 0.413 nan 8.290 nan 0.000 0.470 660 M N 0.992 120.505 119.600 -0.146 0.000 7.319 660 M HA -0.208 4.272 4.480 -0.000 0.000 0.191 660 M C 0.047 176.306 176.300 -0.068 0.000 0.480 660 M CA 1.466 56.713 55.300 -0.088 0.000 1.311 660 M CB -1.250 31.317 32.600 -0.054 0.000 0.421 660 M HN 0.526 nan 8.290 nan 0.000 0.563 661 D N 2.504 122.918 120.400 0.023 0.000 3.134 661 D HA 0.229 4.869 4.640 -0.000 0.000 0.248 661 D C -0.014 176.343 176.300 0.095 0.000 1.273 661 D CA 0.206 54.306 54.000 0.166 0.000 0.904 661 D CB -0.074 40.898 40.800 0.286 0.000 1.089 661 D HN 0.151 nan 8.370 nan 0.000 0.478 662 R N 1.007 121.387 120.500 -0.200 0.000 2.346 662 R HA 0.519 4.859 4.340 -0.000 0.000 0.311 662 R C -0.508 175.551 176.300 -0.403 0.000 0.983 662 R CA -0.464 55.546 56.100 -0.150 0.000 0.880 662 R CB 1.091 31.319 30.300 -0.121 0.000 1.100 662 R HN 0.116 nan 8.270 nan 0.000 0.453 663 Y N 0.705 121.031 120.300 0.044 0.000 2.715 663 Y HA 0.557 5.107 4.550 -0.000 0.000 0.331 663 Y C -0.706 175.214 175.900 0.034 0.000 1.197 663 Y CA -1.159 56.962 58.100 0.035 0.000 1.079 663 Y CB 1.668 40.143 38.460 0.025 0.000 1.298 663 Y HN 0.385 nan 8.280 nan 0.000 0.477 664 L N 2.071 123.438 121.223 0.240 0.000 2.596 664 L HA 0.678 5.018 4.340 -0.000 0.000 0.265 664 L C -2.225 174.737 176.870 0.153 0.000 0.962 664 L CA -0.180 54.750 54.840 0.150 0.000 0.891 664 L CB 0.806 42.928 42.059 0.106 0.000 1.248 664 L HN 0.449 nan 8.230 nan 0.000 0.410 665 I N 4.317 124.967 120.570 0.132 0.000 2.693 665 I HA 0.506 4.676 4.170 -0.000 0.000 0.303 665 I C -1.264 174.969 176.117 0.193 0.000 1.025 665 I CA -0.612 60.771 61.300 0.138 0.000 1.086 665 I CB 1.964 39.991 38.000 0.044 0.000 1.268 665 I HN 0.580 nan 8.210 nan 0.000 0.440 666 Y N 4.537 124.895 120.300 0.097 0.000 2.402 666 Y HA 0.637 5.187 4.550 -0.000 0.000 0.325 666 Y C -1.219 174.770 175.900 0.148 0.000 1.009 666 Y CA -0.979 57.178 58.100 0.096 0.000 1.278 666 Y CB 1.124 39.634 38.460 0.083 0.000 1.105 666 Y HN 0.311 nan 8.280 nan 0.000 0.476 667 V N 5.805 125.551 119.914 -0.281 0.000 2.415 667 V HA 0.029 4.149 4.120 -0.000 0.000 0.267 667 V C 0.318 176.215 176.094 -0.328 0.000 1.042 667 V CA -0.325 61.901 62.300 -0.122 0.000 1.000 667 V CB 0.274 32.108 31.823 0.018 0.000 1.015 667 V HN 0.758 nan 8.190 nan 0.000 0.478 668 D N 4.751 125.083 120.400 -0.114 0.000 2.629 668 D HA -0.109 4.531 4.640 -0.000 0.000 0.228 668 D C 0.936 177.276 176.300 0.067 0.000 1.127 668 D CA 0.166 54.152 54.000 -0.023 0.000 0.855 668 D CB 0.729 41.622 40.800 0.155 0.000 1.180 668 D HN 0.812 nan 8.370 nan 0.000 0.484 669 E N 1.597 121.810 120.200 0.022 0.000 1.972 669 E HA 0.248 4.598 4.350 -0.000 0.000 0.292 669 E C -0.499 176.189 176.600 0.147 0.000 1.193 669 E CA -0.578 55.839 56.400 0.029 0.000 1.228 669 E CB -0.181 29.504 29.700 -0.025 0.000 1.167 669 E HN 0.168 nan 8.360 nan 0.000 0.479 670 S N 1.893 117.778 115.700 0.307 0.000 2.611 670 S HA 0.535 5.005 4.470 -0.000 0.000 0.270 670 S C -1.423 173.333 174.600 0.261 0.000 1.131 670 S CA -0.851 57.498 58.200 0.247 0.000 0.826 670 S CB 1.437 64.733 63.200 0.160 0.000 1.095 670 S HN 0.497 nan 8.310 nan 0.000 0.461 671 R N 0.404 121.011 120.500 0.178 0.000 2.781 671 R HA 0.593 4.933 4.340 -0.000 0.000 0.268 671 R C -1.542 174.842 176.300 0.140 0.000 1.047 671 R CA -0.918 55.253 56.100 0.118 0.000 0.925 671 R CB 1.728 32.070 30.300 0.069 0.000 1.246 671 R HN 0.698 nan 8.270 nan 0.000 0.456 672 E N 0.596 120.898 120.200 0.171 0.000 2.738 672 E HA 0.236 4.586 4.350 -0.000 0.000 0.347 672 E C -1.253 175.506 176.600 0.266 0.000 1.077 672 E CA -0.344 56.198 56.400 0.236 0.000 0.755 672 E CB 1.222 31.113 29.700 0.319 0.000 1.576 672 E HN 0.350 nan 8.360 nan 0.000 0.379 673 c N 0.000 118.691 118.600 0.151 0.000 2.653 673 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 673 c CA 0.000 56.389 56.329 0.100 0.000 1.963 673 c CB 0.000 42.538 42.510 0.046 0.000 2.134 673 c HN 0.000 nan 8.230 nan 0.000 0.568