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 1gpk_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPXXXESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.649 174.600 0.082 0.000 1.055 4 S CA 0.000 58.232 58.200 0.054 0.000 1.107 4 S CB 0.000 63.231 63.200 0.052 0.000 0.593 5 E N 2.366 122.619 120.200 0.088 0.000 2.265 5 E HA -0.011 4.339 4.350 -0.001 0.000 0.196 5 E C 0.926 177.653 176.600 0.212 0.000 0.996 5 E CA 1.118 57.597 56.400 0.132 0.000 0.832 5 E CB -0.080 29.687 29.700 0.111 0.000 0.756 5 E HN 0.711 nan 8.360 nan 0.000 0.491 6 L N 0.868 122.184 121.223 0.155 0.000 2.611 6 L HA 0.176 4.516 4.340 -0.001 0.000 0.229 6 L C -0.020 177.027 176.870 0.295 0.000 1.137 6 L CA -0.307 54.623 54.840 0.151 0.000 0.901 6 L CB 0.599 42.654 42.059 -0.007 0.000 1.098 6 L HN -0.005 nan 8.230 nan 0.000 0.456 7 L N 0.798 122.176 121.223 0.257 0.000 2.349 7 L HA 0.616 4.955 4.340 -0.001 0.000 0.278 7 L C -0.526 176.417 176.870 0.122 0.000 0.996 7 L CA -0.439 54.529 54.840 0.212 0.000 0.825 7 L CB 2.060 44.190 42.059 0.119 0.000 1.243 7 L HN -0.144 nan 8.230 nan 0.000 0.412 8 V N 3.407 123.358 119.914 0.061 0.000 2.638 8 V HA 0.478 4.598 4.120 -0.001 0.000 0.306 8 V C -0.390 175.599 176.094 -0.175 0.000 1.052 8 V CA -0.916 61.251 62.300 -0.221 0.000 0.885 8 V CB 2.197 33.542 31.823 -0.796 0.000 0.999 8 V HN 0.848 nan 8.190 nan 0.000 0.424 9 N N 3.073 121.621 118.700 -0.253 0.000 2.439 9 N HA 0.494 5.233 4.740 -0.001 0.000 0.249 9 N C -0.058 175.134 175.510 -0.531 0.000 1.003 9 N CA -0.106 52.777 53.050 -0.279 0.000 0.942 9 N CB 1.342 39.668 38.487 -0.269 0.000 1.115 9 N HN 0.908 nan 8.380 nan 0.000 0.505 10 T N 0.259 114.601 114.554 -0.353 0.000 2.910 10 T HA 0.354 4.703 4.350 -0.001 0.000 0.279 10 T C 0.997 175.446 174.700 -0.418 0.000 0.989 10 T CA -0.554 61.310 62.100 -0.393 0.000 0.968 10 T CB 1.012 69.908 68.868 0.046 0.000 1.135 10 T HN 0.395 nan 8.240 nan 0.000 0.562 11 K N 0.128 120.333 120.400 -0.326 0.000 2.442 11 K HA 0.048 4.367 4.320 -0.001 0.000 0.198 11 K C 1.819 178.267 176.600 -0.254 0.000 1.042 11 K CA 0.711 56.848 56.287 -0.250 0.000 0.958 11 K CB -0.027 32.390 32.500 -0.139 0.000 0.766 11 K HN 0.421 nan 8.250 nan 0.000 0.474 12 S N -0.287 115.242 115.700 -0.284 0.000 2.524 12 S HA 0.209 4.679 4.470 -0.001 0.000 0.215 12 S C 0.419 174.306 174.600 -1.188 0.000 0.986 12 S CA 0.180 58.089 58.200 -0.484 0.000 0.911 12 S CB 1.102 64.207 63.200 -0.158 0.000 0.805 12 S HN 0.534 nan 8.310 nan 0.000 0.501 13 G N 1.108 109.400 108.800 -0.846 0.000 2.361 13 G HA2 0.115 4.075 3.960 -0.001 0.000 0.331 13 G HA3 0.115 4.075 3.960 -0.001 0.000 0.331 13 G C -1.760 173.057 174.900 -0.139 0.000 1.324 13 G CA -1.138 43.448 45.100 -0.857 0.000 0.984 13 G HN 0.086 nan 8.290 nan 0.000 0.586 14 K N -0.532 119.973 120.400 0.175 0.000 2.185 14 K HA 0.620 4.939 4.320 -0.001 0.000 0.271 14 K C 0.209 177.168 176.600 0.599 0.000 1.013 14 K CA -0.425 56.041 56.287 0.297 0.000 0.943 14 K CB 1.823 34.447 32.500 0.207 0.000 0.998 14 K HN 1.088 nan 8.250 nan 0.000 0.468 15 V N -0.182 120.017 119.914 0.475 0.000 2.789 15 V HA 0.592 4.712 4.120 -0.001 0.000 0.311 15 V C -0.979 175.403 176.094 0.479 0.000 1.073 15 V CA -1.129 61.509 62.300 0.564 0.000 0.921 15 V CB 1.722 33.931 31.823 0.642 0.000 1.009 15 V HN 0.737 nan 8.190 nan 0.000 0.426 16 M N 4.605 124.451 119.600 0.410 0.000 2.114 16 M HA 0.841 5.321 4.480 -0.001 0.000 0.332 16 M C 0.265 176.682 176.300 0.195 0.000 1.014 16 M CA 0.168 55.639 55.300 0.285 0.000 0.956 16 M CB 0.884 33.575 32.600 0.152 0.000 1.551 16 M HN 1.137 nan 8.290 nan 0.000 0.427 17 G N 1.609 110.416 108.800 0.011 0.000 2.543 17 G HA2 0.627 4.587 3.960 -0.001 0.000 0.267 17 G HA3 0.627 4.587 3.960 -0.001 0.000 0.267 17 G C -1.032 173.671 174.900 -0.327 0.000 1.406 17 G CA -0.332 44.469 45.100 -0.497 0.000 1.048 17 G HN 0.683 nan 8.290 nan 0.000 0.548 18 T N -1.609 112.709 114.554 -0.394 0.000 2.923 18 T HA 0.513 4.862 4.350 -0.001 0.000 0.311 18 T C -0.792 173.795 174.700 -0.188 0.000 1.183 18 T CA -0.687 61.282 62.100 -0.219 0.000 1.020 18 T CB 1.564 70.332 68.868 -0.168 0.000 1.165 18 T HN 0.550 nan 8.240 nan 0.000 0.482 19 R N 2.542 122.988 120.500 -0.089 0.000 2.265 19 R HA 0.633 4.973 4.340 -0.001 0.000 0.314 19 R C -0.422 175.899 176.300 0.036 0.000 1.053 19 R CA -0.491 55.605 56.100 -0.007 0.000 0.931 19 R CB 0.485 30.799 30.300 0.023 0.000 1.024 19 R HN 0.547 nan 8.270 nan 0.000 0.457 20 V N 2.765 122.704 119.914 0.042 0.000 2.680 20 V HA 0.700 4.820 4.120 -0.001 0.000 0.309 20 V C -2.518 173.494 176.094 -0.137 0.000 1.052 20 V CA -2.623 59.667 62.300 -0.017 0.000 0.908 20 V CB 1.723 33.535 31.823 -0.018 0.000 1.001 20 V HN 0.762 nan 8.190 nan 0.000 0.431 21 P HA 0.450 nan 4.420 nan 0.000 0.277 21 P C -0.877 176.164 177.300 -0.432 0.000 1.240 21 P CA -0.191 62.495 63.100 -0.689 0.000 0.798 21 P CB 2.016 33.407 31.700 -0.515 0.000 0.979 22 V N 4.897 124.527 119.914 -0.474 0.000 2.781 22 V HA 0.127 4.246 4.120 -0.001 0.000 0.289 22 V C -0.151 175.701 176.094 -0.404 0.000 1.275 22 V CA -0.721 61.347 62.300 -0.386 0.000 0.936 22 V CB 0.616 32.163 31.823 -0.459 0.000 1.074 22 V HN 0.517 nan 8.190 nan 0.000 0.444 23 L N 6.164 127.297 121.223 -0.150 0.000 3.762 23 L HA -0.229 4.110 4.340 -0.001 0.000 0.460 23 L C 1.280 178.080 176.870 -0.117 0.000 1.255 23 L CA 1.168 55.961 54.840 -0.079 0.000 0.783 23 L CB -1.705 40.372 42.059 0.030 0.000 1.600 23 L HN 1.874 nan 8.230 nan 0.000 0.862 24 S N -2.118 113.508 115.700 -0.124 0.000 3.228 24 S HA -0.203 4.267 4.470 -0.001 0.000 0.282 24 S C 0.565 175.121 174.600 -0.074 0.000 1.286 24 S CA 1.707 59.863 58.200 -0.073 0.000 1.066 24 S CB -0.881 62.312 63.200 -0.011 0.000 1.277 24 S HN 0.832 nan 8.310 nan 0.000 0.661 25 S N -1.522 114.048 115.700 -0.217 0.000 3.132 25 S HA 0.886 5.355 4.470 -0.001 0.000 0.322 25 S C -0.995 173.449 174.600 -0.260 0.000 1.124 25 S CA 0.041 58.163 58.200 -0.129 0.000 0.906 25 S CB 1.053 64.126 63.200 -0.212 0.000 1.349 25 S HN 0.794 nan 8.310 nan 0.000 0.686 26 H N -0.564 118.410 119.070 -0.161 0.000 3.037 26 H HA 0.742 5.298 4.556 -0.001 0.000 0.355 26 H C -0.663 174.655 175.328 -0.016 0.000 1.263 26 H CA -0.203 55.787 56.048 -0.096 0.000 1.129 26 H CB 1.435 31.173 29.762 -0.041 0.000 1.861 26 H HN 0.740 nan 8.280 nan 0.000 0.546 27 I N -2.431 118.221 120.570 0.137 0.000 3.263 27 I HA 0.688 4.858 4.170 -0.001 0.000 0.314 27 I C -1.118 175.084 176.117 0.142 0.000 1.269 27 I CA -1.019 60.386 61.300 0.175 0.000 0.942 27 I CB 2.427 40.559 38.000 0.221 0.000 1.305 27 I HN 0.390 nan 8.210 nan 0.000 0.474 28 S N 1.320 117.117 115.700 0.162 0.000 2.541 28 S HA 0.843 5.313 4.470 -0.001 0.000 0.283 28 S C -0.312 174.287 174.600 -0.003 0.000 1.196 28 S CA -0.497 57.728 58.200 0.041 0.000 1.062 28 S CB 1.513 64.799 63.200 0.143 0.000 1.009 28 S HN 0.876 nan 8.310 nan 0.000 0.502 29 A N 2.160 124.793 122.820 -0.310 0.000 2.381 29 A HA 0.757 5.077 4.320 -0.001 0.000 0.299 29 A C -1.366 175.867 177.584 -0.585 0.000 1.049 29 A CA -0.639 51.152 52.037 -0.410 0.000 0.715 29 A CB 0.465 19.225 19.000 -0.400 0.000 1.222 29 A HN 0.653 nan 8.150 nan 0.000 0.428 30 F N 3.159 122.988 119.950 -0.201 0.000 2.359 30 F HA 0.447 4.974 4.527 -0.001 0.000 0.370 30 F C -0.092 175.607 175.800 -0.168 0.000 1.077 30 F CA -0.402 57.566 58.000 -0.054 0.000 1.136 30 F CB 1.023 40.107 39.000 0.139 0.000 1.387 30 F HN 0.370 nan 8.300 nan 0.000 0.468 31 L N 1.837 123.020 121.223 -0.067 0.000 2.343 31 L HA 0.690 5.029 4.340 -0.001 0.000 0.275 31 L C 1.099 178.018 176.870 0.080 0.000 1.056 31 L CA -0.919 53.888 54.840 -0.056 0.000 0.804 31 L CB 1.301 43.263 42.059 -0.162 0.000 1.203 31 L HN 0.802 nan 8.230 nan 0.000 0.440 32 G N 2.798 111.667 108.800 0.115 0.000 2.246 32 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.273 32 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.273 32 G C -0.091 174.929 174.900 0.200 0.000 1.055 32 G CA -0.316 44.852 45.100 0.114 0.000 0.851 32 G HN 0.481 nan 8.290 nan 0.000 0.500 33 I N 2.353 122.960 120.570 0.062 0.000 2.396 33 I HA 0.216 4.386 4.170 -0.001 0.000 0.289 33 I C -1.350 174.583 176.117 -0.307 0.000 1.056 33 I CA -2.071 59.091 61.300 -0.230 0.000 1.365 33 I CB 1.093 38.928 38.000 -0.274 0.000 1.407 33 I HN 0.001 nan 8.210 nan 0.000 0.509 34 P HA 0.048 nan 4.420 nan 0.000 0.276 34 P C -0.338 176.580 177.300 -0.637 0.000 1.230 34 P CA 0.004 62.608 63.100 -0.826 0.000 0.776 34 P CB 0.673 31.805 31.700 -0.947 0.000 0.888 35 F N 0.699 120.310 119.950 -0.566 0.000 2.746 35 F HA 0.750 5.276 4.527 -0.001 0.000 0.320 35 F C -0.073 175.623 175.800 -0.174 0.000 1.097 35 F CA -0.981 56.758 58.000 -0.436 0.000 1.195 35 F CB 0.074 38.797 39.000 -0.463 0.000 1.056 35 F HN 0.378 nan 8.300 nan 0.000 0.562 36 A N -0.085 122.418 122.820 -0.528 0.000 2.606 36 A HA 0.600 4.920 4.320 -0.001 0.000 0.293 36 A C -0.999 176.400 177.584 -0.308 0.000 1.082 36 A CA -0.769 51.092 52.037 -0.293 0.000 0.685 36 A CB 1.047 19.868 19.000 -0.297 0.000 1.284 36 A HN 0.038 nan 8.150 nan 0.000 0.408 37 E N 1.031 121.143 120.200 -0.146 0.000 2.373 37 E HA 0.287 4.636 4.350 -0.001 0.000 0.267 37 E C -2.361 174.150 176.600 -0.148 0.000 1.032 37 E CA -1.469 54.866 56.400 -0.109 0.000 0.889 37 E CB 0.199 29.879 29.700 -0.033 0.000 0.984 37 E HN 0.239 nan 8.360 nan 0.000 0.425 38 P HA -0.014 nan 4.420 nan 0.000 0.260 38 P C -2.156 175.093 177.300 -0.084 0.000 1.185 38 P CA -0.604 62.428 63.100 -0.113 0.000 0.763 38 P CB 0.031 31.703 31.700 -0.046 0.000 0.776 39 P HA -0.003 nan 4.420 nan 0.000 0.228 39 P C -0.184 177.071 177.300 -0.076 0.000 1.748 39 P CA 0.132 63.190 63.100 -0.072 0.000 0.909 39 P CB -0.151 31.509 31.700 -0.067 0.000 1.882 40 V N -3.057 116.820 119.914 -0.063 0.000 2.966 40 V HA 0.863 4.983 4.120 -0.001 0.000 0.317 40 V C 1.009 177.074 176.094 -0.050 0.000 1.070 40 V CA 0.214 62.477 62.300 -0.061 0.000 1.008 40 V CB 0.629 32.426 31.823 -0.044 0.000 1.070 40 V HN 0.527 nan 8.190 nan 0.000 0.457 41 G N 1.735 110.506 108.800 -0.050 0.000 2.591 41 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.298 41 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.298 41 G C 0.917 175.797 174.900 -0.033 0.000 1.195 41 G CA 1.388 46.469 45.100 -0.031 0.000 0.989 41 G HN 2.065 nan 8.290 nan 0.000 0.551 42 N N -0.033 118.666 118.700 -0.002 0.000 2.573 42 N HA 0.268 5.008 4.740 -0.001 0.000 0.187 42 N C 2.272 177.788 175.510 0.009 0.000 1.107 42 N CA 2.090 55.152 53.050 0.019 0.000 0.918 42 N CB -0.352 38.156 38.487 0.034 0.000 0.966 42 N HN 0.655 nan 8.380 nan 0.000 0.448 43 M N -0.590 118.999 119.600 -0.019 0.000 2.509 43 M HA 0.097 4.577 4.480 -0.001 0.000 0.250 43 M C 1.133 177.396 176.300 -0.061 0.000 1.132 43 M CA -0.182 55.105 55.300 -0.021 0.000 1.080 43 M CB 0.294 32.880 32.600 -0.023 0.000 1.408 43 M HN 0.272 nan 8.290 nan 0.000 0.484 44 R N 0.783 121.192 120.500 -0.151 0.000 2.538 44 R HA -0.093 4.247 4.340 -0.001 0.000 0.282 44 R C -0.454 175.628 176.300 -0.364 0.000 1.009 44 R CA 0.785 56.657 56.100 -0.380 0.000 1.063 44 R CB 0.139 30.061 30.300 -0.629 0.000 0.945 44 R HN 0.260 nan 8.270 nan 0.000 0.414 45 F N -0.522 119.433 119.950 0.008 0.000 2.502 45 F HA -0.286 4.240 4.527 -0.001 0.000 0.480 45 F C 0.579 176.364 175.800 -0.025 0.000 0.543 45 F CA 0.873 58.853 58.000 -0.034 0.000 1.350 45 F CB -1.420 37.547 39.000 -0.055 0.000 1.999 45 F HN 0.626 nan 8.300 nan 0.000 0.267 46 R N 1.353 121.926 120.500 0.123 0.000 2.637 46 R HA 0.483 4.823 4.340 -0.001 0.000 0.269 46 R C 0.688 177.018 176.300 0.050 0.000 1.089 46 R CA -0.812 55.336 56.100 0.079 0.000 1.177 46 R CB 0.518 30.850 30.300 0.054 0.000 1.091 46 R HN 0.102 nan 8.270 nan 0.000 0.540 47 R N 2.099 122.627 120.500 0.047 0.000 2.679 47 R HA 0.062 4.401 4.340 -0.001 0.000 0.268 47 R C -1.897 174.428 176.300 0.042 0.000 1.044 47 R CA -1.037 55.090 56.100 0.044 0.000 1.105 47 R CB -0.023 30.308 30.300 0.052 0.000 0.989 47 R HN 0.418 nan 8.270 nan 0.000 0.447 48 P HA 0.048 nan 4.420 nan 0.000 0.274 48 P C -0.914 176.418 177.300 0.052 0.000 1.237 48 P CA 0.027 63.155 63.100 0.047 0.000 0.793 48 P CB 0.875 32.625 31.700 0.083 0.000 0.977 49 E N 1.805 122.025 120.200 0.033 0.000 2.212 49 E HA 0.378 4.728 4.350 -0.001 0.000 0.268 49 E C -2.222 174.408 176.600 0.051 0.000 0.902 49 E CA -2.416 54.008 56.400 0.041 0.000 0.779 49 E CB 1.158 30.874 29.700 0.027 0.000 1.172 49 E HN 0.380 nan 8.360 nan 0.000 0.409 50 P HA 0.001 nan 4.420 nan 0.000 0.269 50 P C -0.175 177.177 177.300 0.087 0.000 1.209 50 P CA -0.311 62.856 63.100 0.112 0.000 0.776 50 P CB 0.682 32.453 31.700 0.120 0.000 0.876 51 K N 3.386 123.847 120.400 0.101 0.000 2.412 51 K HA 0.047 4.367 4.320 -0.001 0.000 0.281 51 K C 0.035 176.724 176.600 0.148 0.000 1.027 51 K CA 0.280 56.622 56.287 0.092 0.000 0.989 51 K CB -0.016 32.537 32.500 0.089 0.000 0.935 51 K HN 0.238 nan 8.250 nan 0.000 0.475 52 K N 6.055 126.541 120.400 0.142 0.000 2.368 52 K HA 0.146 4.466 4.320 -0.001 0.000 0.282 52 K C -2.177 174.535 176.600 0.187 0.000 1.035 52 K CA -1.653 54.715 56.287 0.134 0.000 0.973 52 K CB 0.319 32.891 32.500 0.120 0.000 0.957 52 K HN 0.527 nan 8.250 nan 0.000 0.474 53 P HA -0.096 nan 4.420 nan 0.000 0.266 53 P C -1.223 176.111 177.300 0.055 0.000 1.193 53 P CA 0.116 63.150 63.100 -0.110 0.000 0.770 53 P CB 0.263 31.866 31.700 -0.162 0.000 0.836 54 W N 0.579 121.948 121.300 0.117 0.000 2.781 54 W HA 0.731 5.391 4.660 -0.001 0.000 0.345 54 W C -0.946 175.646 176.519 0.121 0.000 1.085 54 W CA -0.753 56.678 57.345 0.144 0.000 1.198 54 W CB 0.255 29.864 29.460 0.248 0.000 1.423 54 W HN 0.102 nan 8.180 nan 0.000 0.532 55 S N 1.151 117.038 115.700 0.312 0.000 2.672 55 S HA 0.789 5.258 4.470 -0.001 0.000 0.276 55 S C 0.463 175.256 174.600 0.321 0.000 1.207 55 S CA 0.548 58.869 58.200 0.202 0.000 1.002 55 S CB 0.917 64.195 63.200 0.130 0.000 0.998 55 S HN 1.511 nan 8.310 nan 0.000 0.542 56 G N -0.007 108.927 108.800 0.224 0.000 2.681 56 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.220 56 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.220 56 G C -1.032 174.059 174.900 0.318 0.000 1.353 56 G CA -0.455 44.776 45.100 0.218 0.000 0.872 56 G HN 0.954 nan 8.290 nan 0.000 0.557 57 V N 0.732 120.794 119.914 0.246 0.000 2.417 57 V HA 0.530 4.650 4.120 -0.001 0.000 0.291 57 V C 0.252 176.484 176.094 0.231 0.000 1.024 57 V CA -0.546 61.924 62.300 0.283 0.000 0.861 57 V CB 1.802 33.729 31.823 0.173 0.000 0.985 57 V HN 0.730 nan 8.190 nan 0.000 0.436 58 W N 5.134 126.520 121.300 0.145 0.000 2.311 58 W HA 0.274 4.934 4.660 -0.001 0.000 0.310 58 W C 0.157 176.669 176.519 -0.012 0.000 1.274 58 W CA -0.535 56.743 57.345 -0.112 0.000 1.215 58 W CB 0.953 30.175 29.460 -0.398 0.000 1.227 58 W HN 0.693 nan 8.180 nan 0.000 0.523 59 N N 4.555 123.036 118.700 -0.365 0.000 2.399 59 N HA 0.230 4.970 4.740 -0.001 0.000 0.259 59 N C -0.349 175.172 175.510 0.018 0.000 1.160 59 N CA 0.237 53.191 53.050 -0.160 0.000 0.946 59 N CB 0.814 39.142 38.487 -0.266 0.000 1.156 59 N HN 0.348 nan 8.380 nan 0.000 0.489 60 A N 2.732 125.675 122.820 0.205 0.000 3.106 60 A HA 0.215 4.534 4.320 -0.001 0.000 0.306 60 A C 1.023 178.631 177.584 0.039 0.000 1.192 60 A CA -0.331 51.850 52.037 0.241 0.000 0.994 60 A CB -0.542 18.697 19.000 0.399 0.000 1.107 60 A HN 0.658 nan 8.150 nan 0.000 0.585 61 S N -0.902 114.779 115.700 -0.031 0.000 2.511 61 S HA 0.149 4.618 4.470 -0.001 0.000 0.214 61 S C 0.804 175.327 174.600 -0.129 0.000 0.997 61 S CA 0.664 58.803 58.200 -0.102 0.000 0.908 61 S CB -0.236 62.908 63.200 -0.093 0.000 0.803 61 S HN 0.836 nan 8.310 nan 0.000 0.504 62 T N -1.011 113.485 114.554 -0.097 0.000 2.906 62 T HA 0.635 4.985 4.350 -0.001 0.000 0.295 62 T C -0.835 173.850 174.700 -0.023 0.000 1.061 62 T CA -0.771 61.267 62.100 -0.102 0.000 1.000 62 T CB 0.743 69.566 68.868 -0.074 0.000 1.103 62 T HN 0.053 nan 8.240 nan 0.000 0.486 63 Y N 2.830 123.101 120.300 -0.048 0.000 2.652 63 Y HA 0.315 4.865 4.550 -0.001 0.000 0.344 63 Y C -1.359 174.484 175.900 -0.094 0.000 1.254 63 Y CA -1.333 56.743 58.100 -0.041 0.000 1.480 63 Y CB 0.061 38.519 38.460 -0.003 0.000 1.345 63 Y HN 0.560 nan 8.280 nan 0.000 0.617 64 P HA 0.137 nan 4.420 nan 0.000 0.284 64 P C -0.676 176.552 177.300 -0.120 0.000 1.292 64 P CA -0.567 62.422 63.100 -0.186 0.000 0.800 64 P CB 1.038 32.543 31.700 -0.326 0.000 1.188 65 N N 0.094 118.697 118.700 -0.162 0.000 2.399 65 N HA 0.121 4.861 4.740 -0.001 0.000 0.250 65 N C 0.031 175.513 175.510 -0.048 0.000 1.272 65 N CA 0.184 53.183 53.050 -0.085 0.000 0.928 65 N CB -0.133 38.311 38.487 -0.071 0.000 1.158 65 N HN 0.420 nan 8.380 nan 0.000 0.463 66 N N -0.878 117.786 118.700 -0.060 0.000 2.466 66 N HA 0.321 5.061 4.740 -0.001 0.000 0.294 66 N C -0.472 174.997 175.510 -0.068 0.000 1.129 66 N CA -0.711 52.298 53.050 -0.068 0.000 0.931 66 N CB 1.153 39.576 38.487 -0.106 0.000 1.193 66 N HN 0.399 nan 8.380 nan 0.000 0.500 67 c N 1.118 119.678 118.600 -0.066 0.000 2.700 67 c HA 0.053 4.623 4.570 -0.001 0.000 0.397 67 c C 0.628 174.630 174.090 -0.147 0.000 1.301 67 c CA -0.577 55.691 56.329 -0.101 0.000 2.219 67 c CB -0.047 42.429 42.510 -0.056 0.000 2.699 67 c HN 0.529 nan 8.230 nan 0.000 0.669 68 Q N 2.476 122.103 119.800 -0.289 0.000 2.274 68 Q HA 0.217 4.556 4.340 -0.001 0.000 0.280 68 Q C -0.037 175.920 176.000 -0.072 0.000 1.047 68 Q CA 0.953 56.575 55.803 -0.301 0.000 0.907 68 Q CB 0.473 28.759 28.738 -0.753 0.000 1.171 68 Q HN 0.885 nan 8.270 nan 0.000 0.381 69 Q N 1.380 121.226 119.800 0.077 0.000 2.575 69 Q HA 0.299 4.639 4.340 -0.001 0.000 0.290 69 Q C -1.289 174.891 176.000 0.301 0.000 0.963 69 Q CA -1.020 54.924 55.803 0.235 0.000 0.783 69 Q CB 0.734 29.567 28.738 0.160 0.000 1.467 69 Q HN 0.460 nan 8.270 nan 0.000 0.402 70 Y N 1.044 121.543 120.300 0.332 0.000 2.610 70 Y HA 0.336 4.885 4.550 -0.001 0.000 0.332 70 Y C -1.001 175.082 175.900 0.305 0.000 1.201 70 Y CA 0.316 58.643 58.100 0.378 0.000 1.465 70 Y CB 0.871 39.687 38.460 0.594 0.000 1.283 70 Y HN 0.437 nan 8.280 nan 0.000 0.563 71 V N 6.798 126.465 119.914 -0.412 0.000 2.417 71 V HA 0.117 4.237 4.120 -0.001 0.000 0.291 71 V C -0.540 175.262 176.094 -0.487 0.000 1.024 71 V CA -1.035 61.100 62.300 -0.275 0.000 0.861 71 V CB 1.428 33.168 31.823 -0.140 0.000 0.985 71 V HN 0.750 nan 8.190 nan 0.000 0.436 72 D N 4.111 124.453 120.400 -0.096 0.000 2.346 72 D HA 0.093 4.732 4.640 -0.001 0.000 0.260 72 D C 0.598 176.948 176.300 0.084 0.000 1.252 72 D CA 0.317 54.378 54.000 0.101 0.000 0.895 72 D CB 0.768 41.782 40.800 0.355 0.000 1.097 72 D HN 0.678 nan 8.370 nan 0.000 0.489 73 E N 2.696 122.908 120.200 0.022 0.000 2.651 73 E HA -0.039 4.311 4.350 -0.001 0.000 0.208 73 E C 0.842 177.415 176.600 -0.045 0.000 0.997 73 E CA -0.141 56.265 56.400 0.010 0.000 1.020 73 E CB 0.662 30.342 29.700 -0.033 0.000 1.052 73 E HN 0.368 nan 8.360 nan 0.000 0.465 74 Q N 0.099 119.845 119.800 -0.090 0.000 2.226 74 Q HA -0.078 4.262 4.340 -0.001 0.000 0.204 74 Q C -0.251 175.246 176.000 -0.838 0.000 0.975 74 Q CA 1.333 56.822 55.803 -0.524 0.000 0.866 74 Q CB 0.184 28.441 28.738 -0.801 0.000 0.915 74 Q HN 0.128 nan 8.270 nan 0.000 0.440 75 F N 0.155 120.154 119.950 0.081 0.000 2.710 75 F HA 0.419 4.946 4.527 -0.001 0.000 0.345 75 F C -2.301 173.568 175.800 0.115 0.000 1.362 75 F CA -2.917 55.115 58.000 0.054 0.000 1.175 75 F CB 1.144 40.171 39.000 0.045 0.000 1.561 75 F HN -0.143 nan 8.300 nan 0.000 0.593 76 P HA 0.157 nan 4.420 nan 0.000 0.262 76 P C 1.028 178.414 177.300 0.142 0.000 1.182 76 P CA 1.403 64.578 63.100 0.125 0.000 0.761 76 P CB 0.717 32.454 31.700 0.061 0.000 0.795 77 G N 2.491 111.363 108.800 0.120 0.000 2.225 77 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.254 77 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.254 77 G C 0.005 174.981 174.900 0.127 0.000 0.988 77 G CA -0.402 44.754 45.100 0.092 0.000 0.625 77 G HN 0.533 nan 8.290 nan 0.000 0.527 78 F N 3.243 123.194 119.950 0.002 0.000 2.444 78 F HA 0.535 5.062 4.527 -0.001 0.000 0.360 78 F C 1.662 177.410 175.800 -0.088 0.000 1.106 78 F CA -0.197 57.753 58.000 -0.083 0.000 1.170 78 F CB 1.199 40.135 39.000 -0.107 0.000 1.113 78 F HN 0.225 nan 8.300 nan 0.000 0.521 79 S N 3.375 118.712 115.700 -0.604 0.000 2.402 79 S HA -0.092 4.378 4.470 -0.001 0.000 0.229 79 S C 2.233 176.453 174.600 -0.634 0.000 1.021 79 S CA 0.883 58.774 58.200 -0.515 0.000 0.974 79 S CB -1.169 61.777 63.200 -0.422 0.000 0.800 79 S HN 0.811 nan 8.310 nan 0.000 0.484 80 G N 1.779 109.731 108.800 -1.413 0.000 2.469 80 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.220 80 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.220 80 G C 1.736 176.823 174.900 0.312 0.000 1.136 80 G CA 1.468 45.997 45.100 -0.951 0.000 0.759 80 G HN 0.820 nan 8.290 nan 0.000 0.562 81 S N -0.284 115.614 115.700 0.331 0.000 2.502 81 S HA 0.131 4.601 4.470 -0.001 0.000 0.228 81 S C 1.825 176.746 174.600 0.535 0.000 1.061 81 S CA 0.704 59.428 58.200 0.874 0.000 0.935 81 S CB -0.049 63.799 63.200 1.080 0.000 0.809 81 S HN 0.480 nan 8.310 nan 0.000 0.510 82 E N 2.041 122.387 120.200 0.245 0.000 2.274 82 E HA -0.047 4.303 4.350 -0.001 0.000 0.194 82 E C 1.955 178.547 176.600 -0.013 0.000 0.996 82 E CA 1.168 57.639 56.400 0.118 0.000 0.840 82 E CB -0.471 29.257 29.700 0.047 0.000 0.772 82 E HN 0.836 nan 8.360 nan 0.000 0.491 83 M N -1.801 117.714 119.600 -0.141 0.000 2.632 83 M HA -0.031 4.449 4.480 -0.001 0.000 0.256 83 M C 0.889 176.854 176.300 -0.558 0.000 1.080 83 M CA 1.268 56.326 55.300 -0.402 0.000 1.084 83 M CB -0.242 32.013 32.600 -0.576 0.000 1.439 83 M HN 0.022 nan 8.290 nan 0.000 0.509 84 W N 0.620 121.862 121.300 -0.096 0.000 3.013 84 W HA 0.298 4.957 4.660 -0.001 0.000 0.280 84 W C 0.513 176.960 176.519 -0.120 0.000 1.249 84 W CA -0.783 56.475 57.345 -0.144 0.000 1.577 84 W CB -0.019 29.385 29.460 -0.093 0.000 1.057 84 W HN 0.100 nan 8.180 nan 0.000 0.613 85 N N 1.455 120.221 118.700 0.111 0.000 2.399 85 N HA 0.121 4.861 4.740 -0.001 0.000 0.250 85 N C -2.457 173.029 175.510 -0.039 0.000 1.272 85 N CA -1.257 51.823 53.050 0.050 0.000 0.928 85 N CB -0.272 38.246 38.487 0.052 0.000 1.158 85 N HN -0.355 nan 8.380 nan 0.000 0.463 86 P HA 0.052 nan 4.420 nan 0.000 0.265 86 P C 0.171 177.422 177.300 -0.082 0.000 1.193 86 P CA 0.075 63.122 63.100 -0.088 0.000 0.765 86 P CB 0.292 31.949 31.700 -0.072 0.000 0.823 87 N N 2.190 120.829 118.700 -0.102 0.000 2.204 87 N HA 0.093 4.833 4.740 -0.001 0.000 0.219 87 N C 0.057 175.531 175.510 -0.060 0.000 1.151 87 N CA -0.012 52.988 53.050 -0.083 0.000 0.867 87 N CB 0.368 38.795 38.487 -0.100 0.000 1.043 87 N HN 0.148 nan 8.380 nan 0.000 0.516 88 R N 0.008 120.468 120.500 -0.067 0.000 2.808 88 R HA 0.485 4.824 4.340 -0.001 0.000 0.272 88 R C -0.474 175.794 176.300 -0.053 0.000 0.995 88 R CA -0.399 55.671 56.100 -0.050 0.000 0.917 88 R CB 0.436 30.703 30.300 -0.055 0.000 1.217 88 R HN 0.285 nan 8.270 nan 0.000 0.471 89 E N 2.368 122.539 120.200 -0.047 0.000 2.442 89 E HA 0.111 4.461 4.350 -0.001 0.000 0.262 89 E C 0.151 176.717 176.600 -0.057 0.000 1.004 89 E CA 0.416 56.787 56.400 -0.048 0.000 0.928 89 E CB 0.181 29.854 29.700 -0.045 0.000 0.937 89 E HN 0.374 nan 8.360 nan 0.000 0.446 90 M N 1.527 121.092 119.600 -0.057 0.000 2.288 90 M HA 0.524 5.004 4.480 -0.001 0.000 0.334 90 M C 0.194 176.444 176.300 -0.082 0.000 1.150 90 M CA -0.211 55.045 55.300 -0.073 0.000 1.118 90 M CB 1.559 34.117 32.600 -0.071 0.000 1.501 90 M HN 0.572 nan 8.290 nan 0.000 0.462 91 S N 0.173 115.809 115.700 -0.106 0.000 2.580 91 S HA 0.182 4.652 4.470 -0.001 0.000 0.281 91 S C -0.100 174.409 174.600 -0.151 0.000 1.129 91 S CA -0.692 57.442 58.200 -0.110 0.000 0.862 91 S CB 1.302 64.466 63.200 -0.061 0.000 1.090 91 S HN 0.834 nan 8.310 nan 0.000 0.451 92 E N 0.994 121.084 120.200 -0.184 0.000 2.338 92 E HA -0.070 4.279 4.350 -0.001 0.000 0.197 92 E C -0.274 176.262 176.600 -0.108 0.000 1.007 92 E CA 0.494 56.766 56.400 -0.213 0.000 0.849 92 E CB 0.084 29.661 29.700 -0.205 0.000 0.774 92 E HN 0.502 nan 8.360 nan 0.000 0.506 93 D N 0.520 120.892 120.400 -0.047 0.000 2.522 93 D HA 0.005 4.645 4.640 -0.001 0.000 0.218 93 D C 0.045 176.430 176.300 0.141 0.000 1.149 93 D CA -0.365 53.653 54.000 0.030 0.000 0.981 93 D CB -0.106 40.733 40.800 0.066 0.000 1.041 93 D HN 0.135 nan 8.370 nan 0.000 0.518 94 c N 2.166 120.816 118.600 0.085 0.000 3.626 94 c HA 0.404 4.973 4.570 -0.001 0.000 0.276 94 c C 0.603 174.770 174.090 0.129 0.000 1.694 94 c CA -0.706 55.731 56.329 0.180 0.000 1.785 94 c CB -1.319 41.222 42.510 0.051 0.000 3.152 94 c HN 0.405 nan 8.230 nan 0.000 0.571 95 L N 2.603 123.658 121.223 -0.280 0.000 2.395 95 L HA 0.421 4.761 4.340 -0.001 0.000 0.268 95 L C -0.887 175.225 176.870 -1.264 0.000 1.223 95 L CA 0.485 54.902 54.840 -0.704 0.000 1.093 95 L CB -0.613 40.903 42.059 -0.906 0.000 1.349 95 L HN 0.374 nan 8.230 nan 0.000 0.427 96 Y N 2.042 122.182 120.300 -0.266 0.000 2.609 96 Y HA 0.672 5.222 4.550 -0.001 0.000 0.342 96 Y C -0.145 175.893 175.900 0.229 0.000 1.058 96 Y CA -1.285 56.749 58.100 -0.110 0.000 1.055 96 Y CB 1.909 40.324 38.460 -0.075 0.000 1.292 96 Y HN 0.198 nan 8.280 nan 0.000 0.476 97 L N -0.218 121.177 121.223 0.285 0.000 2.327 97 L HA 0.777 5.117 4.340 -0.001 0.000 0.258 97 L C -1.282 175.637 176.870 0.081 0.000 1.024 97 L CA -1.127 53.821 54.840 0.179 0.000 0.825 97 L CB 1.819 43.899 42.059 0.034 0.000 1.386 97 L HN 0.462 nan 8.230 nan 0.000 0.417 98 N N 1.473 120.222 118.700 0.081 0.000 2.269 98 N HA 0.735 5.474 4.740 -0.001 0.000 0.304 98 N C -1.333 174.101 175.510 -0.127 0.000 1.072 98 N CA -0.220 52.789 53.050 -0.069 0.000 0.802 98 N CB 2.738 41.188 38.487 -0.061 0.000 1.348 98 N HN 0.655 nan 8.380 nan 0.000 0.484 99 I N 0.456 120.868 120.570 -0.264 0.000 2.499 99 I HA 0.376 4.545 4.170 -0.001 0.000 0.288 99 I C -0.801 175.263 176.117 -0.087 0.000 1.048 99 I CA -0.711 60.539 61.300 -0.083 0.000 1.062 99 I CB 2.247 40.142 38.000 -0.175 0.000 1.238 99 I HN 0.237 nan 8.210 nan 0.000 0.426 100 W N 5.907 127.342 121.300 0.226 0.000 2.376 100 W HA 0.586 5.246 4.660 -0.001 0.000 0.312 100 W C -0.968 175.694 176.519 0.238 0.000 1.060 100 W CA -0.654 56.820 57.345 0.215 0.000 1.221 100 W CB 2.105 31.657 29.460 0.154 0.000 1.281 100 W HN 0.090 nan 8.180 nan 0.000 0.456 101 V N 5.132 125.316 119.914 0.450 0.000 2.487 101 V HA 0.288 4.407 4.120 -0.001 0.000 0.298 101 V C -2.019 174.271 176.094 0.326 0.000 1.028 101 V CA -2.410 60.125 62.300 0.391 0.000 0.860 101 V CB 1.926 34.040 31.823 0.485 0.000 0.991 101 V HN 0.257 nan 8.190 nan 0.000 0.427 102 P HA 0.113 nan 4.420 nan 0.000 0.269 102 P C -0.554 176.876 177.300 0.218 0.000 1.217 102 P CA 0.213 63.454 63.100 0.235 0.000 0.783 102 P CB 0.534 32.338 31.700 0.173 0.000 0.898 103 S N 1.421 117.246 115.700 0.209 0.000 2.519 103 S HA 0.541 5.010 4.470 -0.001 0.000 0.309 103 S C -2.429 172.259 174.600 0.147 0.000 1.100 103 S CA -1.549 56.754 58.200 0.173 0.000 1.059 103 S CB 0.093 63.394 63.200 0.167 0.000 1.008 103 S HN 0.263 nan 8.310 nan 0.000 0.478 104 P HA 0.183 nan 4.420 nan 0.000 0.272 104 P C -0.523 176.849 177.300 0.120 0.000 1.223 104 P CA -0.593 62.572 63.100 0.107 0.000 0.784 104 P CB 0.422 32.170 31.700 0.080 0.000 0.923 105 R N 2.450 123.028 120.500 0.130 0.000 2.504 105 R HA 0.091 4.431 4.340 -0.001 0.000 0.291 105 R C -1.931 174.434 176.300 0.108 0.000 0.974 105 R CA -0.834 55.352 56.100 0.143 0.000 1.077 105 R CB -0.464 29.924 30.300 0.146 0.000 0.926 105 R HN 0.364 nan 8.270 nan 0.000 0.407 106 P HA 0.061 nan 4.420 nan 0.000 0.274 106 P C -0.177 177.159 177.300 0.061 0.000 1.260 106 P CA -0.373 62.775 63.100 0.079 0.000 0.793 106 P CB 0.695 32.445 31.700 0.083 0.000 1.048 107 K N -0.669 119.754 120.400 0.038 0.000 2.214 107 K HA 0.163 4.482 4.320 -0.001 0.000 0.201 107 K C 0.533 177.135 176.600 0.002 0.000 1.049 107 K CA 0.953 57.251 56.287 0.019 0.000 0.978 107 K CB -0.203 32.303 32.500 0.011 0.000 0.842 107 K HN 0.292 nan 8.250 nan 0.000 0.474 108 S N 1.004 116.706 115.700 0.003 0.000 2.592 108 S HA 0.161 4.630 4.470 -0.001 0.000 0.151 108 S C -1.002 173.597 174.600 -0.001 0.000 1.280 108 S CA -0.338 57.854 58.200 -0.013 0.000 1.187 108 S CB 0.372 63.553 63.200 -0.032 0.000 1.471 108 S HN 0.150 nan 8.310 nan 0.000 0.409 109 T N 1.729 116.294 114.554 0.018 0.000 2.948 109 T HA 0.564 4.914 4.350 -0.001 0.000 0.285 109 T C 0.182 174.894 174.700 0.021 0.000 1.019 109 T CA -0.059 62.054 62.100 0.022 0.000 1.013 109 T CB 1.119 70.013 68.868 0.042 0.000 1.117 109 T HN 0.423 nan 8.240 nan 0.000 0.533 110 T N 2.181 116.744 114.554 0.014 0.000 2.934 110 T HA 0.303 4.653 4.350 -0.001 0.000 0.306 110 T C -0.307 174.413 174.700 0.033 0.000 1.042 110 T CA -0.132 61.972 62.100 0.007 0.000 1.145 110 T CB 0.167 69.028 68.868 -0.011 0.000 0.982 110 T HN 0.393 nan 8.240 nan 0.000 0.544 111 V N 5.112 125.050 119.914 0.039 0.000 2.555 111 V HA 0.527 4.647 4.120 -0.001 0.000 0.302 111 V C -0.048 176.096 176.094 0.083 0.000 1.038 111 V CA -0.773 61.572 62.300 0.076 0.000 0.887 111 V CB 1.775 33.648 31.823 0.082 0.000 0.991 111 V HN 0.834 nan 8.190 nan 0.000 0.434 112 M N 4.437 124.111 119.600 0.123 0.000 2.259 112 M HA 0.569 5.048 4.480 -0.001 0.000 0.304 112 M C -1.368 175.157 176.300 0.375 0.000 1.019 112 M CA -0.649 54.739 55.300 0.147 0.000 0.922 112 M CB 2.296 34.855 32.600 -0.069 0.000 1.600 112 M HN 0.349 nan 8.290 nan 0.000 0.433 113 V N 3.039 123.224 119.914 0.451 0.000 2.357 113 V HA 0.341 4.461 4.120 -0.001 0.000 0.284 113 V C -0.776 175.613 176.094 0.492 0.000 1.018 113 V CA -0.638 61.911 62.300 0.415 0.000 0.841 113 V CB 1.492 33.429 31.823 0.190 0.000 0.991 113 V HN 0.865 nan 8.190 nan 0.000 0.437 114 W N 6.945 128.343 121.300 0.163 0.000 2.315 114 W HA 0.632 5.292 4.660 -0.001 0.000 0.316 114 W C -1.300 175.088 176.519 -0.218 0.000 1.211 114 W CA -0.700 56.455 57.345 -0.318 0.000 1.201 114 W CB 1.165 30.468 29.460 -0.262 0.000 1.184 114 W HN 0.439 nan 8.180 nan 0.000 0.544 115 I N 9.162 129.026 120.570 -1.177 0.000 2.420 115 I HA 0.063 4.233 4.170 -0.001 0.000 0.282 115 I C -0.234 175.106 176.117 -1.295 0.000 1.019 115 I CA -1.095 59.634 61.300 -0.953 0.000 1.130 115 I CB 0.708 38.358 38.000 -0.585 0.000 1.262 115 I HN 0.303 nan 8.210 nan 0.000 0.454 116 Y N 4.046 123.873 120.300 -0.787 0.000 2.385 116 Y HA 0.655 5.205 4.550 -0.001 0.000 0.346 116 Y C 0.648 176.418 175.900 -0.215 0.000 1.270 116 Y CA -1.602 56.203 58.100 -0.491 0.000 1.472 116 Y CB 0.347 38.739 38.460 -0.114 0.000 1.354 116 Y HN 0.558 nan 8.280 nan 0.000 0.611 117 G N 0.222 109.101 108.800 0.132 0.000 3.430 117 G HA2 0.426 4.386 3.960 -0.001 0.000 0.298 117 G HA3 0.426 4.386 3.960 -0.001 0.000 0.298 117 G C -0.543 174.230 174.900 -0.211 0.000 2.115 117 G CA -0.282 44.795 45.100 -0.040 0.000 0.686 117 G HN 1.133 nan 8.290 nan 0.000 0.404 118 G N 0.328 108.957 108.800 -0.285 0.000 3.058 118 G HA2 0.540 4.499 3.960 -0.001 0.000 0.316 118 G HA3 0.540 4.499 3.960 -0.001 0.000 0.316 118 G C 1.249 175.625 174.900 -0.873 0.000 0.951 118 G CA 0.243 45.003 45.100 -0.566 0.000 1.535 118 G HN 1.712 nan 8.290 nan 0.000 0.500 119 G N 1.530 109.819 108.800 -0.852 0.000 2.269 119 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.277 119 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.277 119 G C 0.797 175.471 174.900 -0.376 0.000 1.008 119 G CA 0.517 44.936 45.100 -1.135 0.000 0.774 119 G HN 1.293 nan 8.290 nan 0.000 0.511 120 F N -3.595 116.267 119.950 -0.147 0.000 2.871 120 F HA -0.321 4.206 4.527 -0.001 0.000 0.326 120 F C 1.480 177.359 175.800 0.132 0.000 0.675 120 F CA 2.124 60.131 58.000 0.011 0.000 1.188 120 F CB -2.073 36.776 39.000 -0.252 0.000 1.567 120 F HN 0.874 nan 8.300 nan 0.000 0.325 121 Y N -0.932 119.418 120.300 0.083 0.000 2.453 121 Y HA 0.645 5.195 4.550 -0.001 0.000 0.247 121 Y C 0.584 176.571 175.900 0.145 0.000 1.124 121 Y CA 0.268 58.443 58.100 0.126 0.000 1.243 121 Y CB 0.068 38.515 38.460 -0.021 0.000 1.213 121 Y HN 0.083 nan 8.280 nan 0.000 0.523 122 S N -0.564 114.822 115.700 -0.522 0.000 2.625 122 S HA 0.903 5.373 4.470 -0.001 0.000 0.271 122 S C -0.334 174.071 174.600 -0.326 0.000 1.161 122 S CA -0.469 57.501 58.200 -0.383 0.000 0.820 122 S CB 1.592 64.459 63.200 -0.555 0.000 1.137 122 S HN 1.231 nan 8.310 nan 0.000 0.470 123 G N -0.045 108.541 108.800 -0.356 0.000 2.307 123 G HA2 0.445 4.405 3.960 -0.001 0.000 0.348 123 G HA3 0.445 4.405 3.960 -0.001 0.000 0.348 123 G C -1.256 172.968 174.900 -1.126 0.000 1.603 123 G CA -0.453 44.247 45.100 -0.666 0.000 0.961 123 G HN 1.190 nan 8.290 nan 0.000 0.686 124 S N -0.599 114.490 115.700 -1.017 0.000 2.536 124 S HA 0.646 5.115 4.470 -0.001 0.000 0.271 124 S C 0.922 175.394 174.600 -0.212 0.000 1.134 124 S CA 0.039 57.859 58.200 -0.634 0.000 0.897 124 S CB 1.812 64.838 63.200 -0.291 0.000 1.094 124 S HN 1.866 nan 8.310 nan 0.000 0.473 125 S N 0.081 115.820 115.700 0.065 0.000 2.562 125 S HA -0.048 4.422 4.470 -0.001 0.000 0.221 125 S C 1.307 175.982 174.600 0.126 0.000 0.975 125 S CA 0.797 59.211 58.200 0.356 0.000 0.918 125 S CB -0.590 62.849 63.200 0.398 0.000 0.772 125 S HN 0.826 nan 8.310 nan 0.000 0.531 126 T N -0.019 114.425 114.554 -0.184 0.000 3.105 126 T HA 0.413 4.763 4.350 -0.001 0.000 0.253 126 T C 0.497 174.994 174.700 -0.337 0.000 1.047 126 T CA -0.570 61.155 62.100 -0.626 0.000 0.944 126 T CB -0.548 67.806 68.868 -0.856 0.000 1.016 126 T HN 0.314 nan 8.240 nan 0.000 0.544 127 L N 2.028 123.106 121.223 -0.243 0.000 2.506 127 L HA 0.132 4.471 4.340 -0.001 0.000 0.281 127 L C 1.369 178.014 176.870 -0.376 0.000 1.228 127 L CA -0.431 54.158 54.840 -0.420 0.000 0.850 127 L CB 0.332 41.904 42.059 -0.812 0.000 1.110 127 L HN 0.091 nan 8.230 nan 0.000 0.496 128 D N 1.186 121.378 120.400 -0.346 0.000 2.149 128 D HA -0.141 4.499 4.640 -0.001 0.000 0.198 128 D C 1.951 178.051 176.300 -0.333 0.000 0.990 128 D CA 1.425 55.280 54.000 -0.242 0.000 0.839 128 D CB 0.012 40.679 40.800 -0.221 0.000 0.948 128 D HN 0.549 nan 8.370 nan 0.000 0.460 129 V N -1.503 118.054 119.914 -0.596 0.000 3.305 129 V HA -0.124 3.995 4.120 -0.001 0.000 0.269 129 V C 1.204 176.819 176.094 -0.799 0.000 1.157 129 V CA 0.938 62.842 62.300 -0.661 0.000 1.157 129 V CB -1.029 30.266 31.823 -0.881 0.000 0.772 129 V HN 0.035 nan 8.190 nan 0.000 0.498 130 Y N 0.078 119.930 120.300 -0.747 0.000 2.485 130 Y HA 0.430 4.980 4.550 -0.001 0.000 0.260 130 Y C 1.144 176.728 175.900 -0.527 0.000 1.173 130 Y CA -1.670 55.769 58.100 -1.102 0.000 1.252 130 Y CB -0.868 37.228 38.460 -0.608 0.000 1.123 130 Y HN 0.273 nan 8.280 nan 0.000 0.524 131 N N 1.483 120.080 118.700 -0.172 0.000 2.423 131 N HA -0.034 4.706 4.740 -0.001 0.000 0.275 131 N C 1.329 176.559 175.510 -0.467 0.000 1.283 131 N CA 0.597 53.510 53.050 -0.227 0.000 0.932 131 N CB 1.025 39.454 38.487 -0.097 0.000 1.185 131 N HN 0.475 nan 8.380 nan 0.000 0.483 132 G N 3.298 111.283 108.800 -1.358 0.000 2.848 132 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.208 132 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.208 132 G C 1.451 175.758 174.900 -0.987 0.000 1.152 132 G CA 0.359 44.831 45.100 -1.048 0.000 0.789 132 G HN 0.739 nan 8.290 nan 0.000 0.531 133 K N -0.401 119.229 120.400 -1.284 0.000 2.103 133 K HA -0.164 4.156 4.320 -0.001 0.000 0.207 133 K C 1.764 178.146 176.600 -0.363 0.000 1.048 133 K CA 1.178 57.065 56.287 -0.666 0.000 0.930 133 K CB -0.524 31.637 32.500 -0.565 0.000 0.716 133 K HN 0.306 nan 8.250 nan 0.000 0.444 134 Y N 1.155 121.372 120.300 -0.138 0.000 2.163 134 Y HA -0.134 4.415 4.550 -0.001 0.000 0.288 134 Y C 2.357 178.247 175.900 -0.016 0.000 1.136 134 Y CA 0.748 58.828 58.100 -0.034 0.000 1.147 134 Y CB -0.680 37.733 38.460 -0.078 0.000 0.987 134 Y HN 0.030 nan 8.280 nan 0.000 0.509 135 L N 0.111 121.355 121.223 0.034 0.000 2.027 135 L HA -0.043 4.296 4.340 -0.001 0.000 0.206 135 L C 2.385 179.259 176.870 0.006 0.000 1.074 135 L CA 1.871 56.686 54.840 -0.041 0.000 0.745 135 L CB -1.264 40.675 42.059 -0.200 0.000 0.898 135 L HN 0.145 nan 8.230 nan 0.000 0.433 136 A N -1.281 121.557 122.820 0.031 0.000 1.883 136 A HA -0.313 4.007 4.320 -0.001 0.000 0.217 136 A C 2.326 179.993 177.584 0.138 0.000 1.186 136 A CA 2.063 54.170 52.037 0.117 0.000 0.624 136 A CB -1.253 17.878 19.000 0.219 0.000 0.822 136 A HN 0.617 nan 8.150 nan 0.000 0.444 137 Y N 1.098 121.419 120.300 0.035 0.000 2.133 137 Y HA -0.156 4.394 4.550 -0.001 0.000 0.287 137 Y C 2.653 178.578 175.900 0.043 0.000 1.134 137 Y CA 2.339 60.466 58.100 0.045 0.000 1.133 137 Y CB -0.823 37.651 38.460 0.023 0.000 0.987 137 Y HN 0.288 nan 8.280 nan 0.000 0.502 138 T N 0.389 114.878 114.554 -0.107 0.000 2.777 138 T HA -0.117 4.233 4.350 -0.001 0.000 0.266 138 T C 1.322 175.938 174.700 -0.141 0.000 1.040 138 T CA 1.692 63.673 62.100 -0.197 0.000 1.141 138 T CB -0.101 68.752 68.868 -0.024 0.000 0.868 138 T HN 0.319 nan 8.240 nan 0.000 0.444 139 E N 0.479 120.649 120.200 -0.050 0.000 2.481 139 E HA 0.231 4.581 4.350 -0.001 0.000 0.198 139 E C 0.927 177.528 176.600 0.002 0.000 1.027 139 E CA 0.668 57.069 56.400 0.003 0.000 0.900 139 E CB 0.056 29.778 29.700 0.036 0.000 0.993 139 E HN 0.691 nan 8.360 nan 0.000 0.482 140 E N -0.234 119.957 120.200 -0.016 0.000 2.320 140 E HA -0.147 4.202 4.350 -0.001 0.000 0.234 140 E C 0.153 176.782 176.600 0.050 0.000 1.183 140 E CA 0.786 57.197 56.400 0.018 0.000 0.713 140 E CB -2.888 26.814 29.700 0.003 0.000 1.226 140 E HN 0.223 nan 8.360 nan 0.000 0.382 141 V N -3.446 116.507 119.914 0.066 0.000 2.960 141 V HA 0.916 5.036 4.120 -0.001 0.000 0.315 141 V C 0.606 176.778 176.094 0.130 0.000 1.087 141 V CA -0.682 61.664 62.300 0.076 0.000 0.982 141 V CB 2.570 34.420 31.823 0.045 0.000 1.039 141 V HN 0.681 nan 8.190 nan 0.000 0.437 142 V N 4.760 124.759 119.914 0.140 0.000 2.408 142 V HA 0.296 4.416 4.120 -0.001 0.000 0.267 142 V C 0.054 176.278 176.094 0.216 0.000 1.047 142 V CA -0.304 62.112 62.300 0.193 0.000 0.937 142 V CB 1.004 32.928 31.823 0.168 0.000 0.999 142 V HN 0.774 nan 8.190 nan 0.000 0.472 143 L N 7.641 129.049 121.223 0.307 0.000 2.272 143 L HA 0.615 4.954 4.340 -0.001 0.000 0.289 143 L C -0.500 176.664 176.870 0.490 0.000 1.032 143 L CA 0.099 55.164 54.840 0.376 0.000 0.810 143 L CB 1.680 43.950 42.059 0.351 0.000 1.205 143 L HN 0.405 nan 8.230 nan 0.000 0.422 144 V N 3.980 124.151 119.914 0.428 0.000 2.628 144 V HA 0.577 4.697 4.120 -0.001 0.000 0.306 144 V C -0.016 176.351 176.094 0.456 0.000 1.045 144 V CA -0.585 61.940 62.300 0.375 0.000 0.905 144 V CB 2.157 34.113 31.823 0.221 0.000 0.997 144 V HN 0.909 nan 8.190 nan 0.000 0.436 145 S N 4.821 120.791 115.700 0.450 0.000 2.605 145 S HA 0.806 5.275 4.470 -0.001 0.000 0.308 145 S C -0.801 173.965 174.600 0.278 0.000 1.113 145 S CA -0.762 57.711 58.200 0.455 0.000 1.049 145 S CB 1.463 65.043 63.200 0.633 0.000 1.001 145 S HN 0.677 nan 8.310 nan 0.000 0.480 146 L N 1.181 122.492 121.223 0.148 0.000 2.635 146 L HA 1.004 5.343 4.340 -0.001 0.000 0.250 146 L C 0.191 177.152 176.870 0.153 0.000 1.117 146 L CA -0.652 54.234 54.840 0.077 0.000 0.834 146 L CB -0.011 41.968 42.059 -0.132 0.000 1.544 146 L HN 0.900 nan 8.230 nan 0.000 0.511 147 S N -1.811 114.039 115.700 0.251 0.000 2.638 147 S HA 0.891 5.361 4.470 -0.001 0.000 0.274 147 S C -1.330 173.501 174.600 0.384 0.000 1.157 147 S CA -0.462 57.911 58.200 0.289 0.000 0.826 147 S CB 1.549 64.995 63.200 0.411 0.000 1.139 147 S HN 1.311 nan 8.310 nan 0.000 0.474 148 Y N -1.846 118.563 120.300 0.182 0.000 2.620 148 Y HA 0.663 5.212 4.550 -0.001 0.000 0.331 148 Y C -0.903 175.136 175.900 0.230 0.000 1.173 148 Y CA -1.365 56.842 58.100 0.178 0.000 1.076 148 Y CB 0.598 39.116 38.460 0.096 0.000 1.336 148 Y HN 0.797 nan 8.280 nan 0.000 0.459 149 R N 1.957 122.601 120.500 0.240 0.000 2.570 149 R HA 0.508 4.848 4.340 -0.001 0.000 0.277 149 R C -0.036 176.451 176.300 0.312 0.000 1.039 149 R CA -0.035 56.169 56.100 0.174 0.000 1.065 149 R CB 0.791 31.166 30.300 0.126 0.000 0.964 149 R HN 0.687 nan 8.270 nan 0.000 0.428 150 V N -0.038 120.073 119.914 0.329 0.000 3.204 150 V HA 0.887 5.007 4.120 -0.001 0.000 0.316 150 V C 0.777 177.219 176.094 0.579 0.000 1.160 150 V CA -0.161 62.455 62.300 0.527 0.000 1.044 150 V CB 1.072 33.083 31.823 0.313 0.000 1.136 150 V HN 0.969 nan 8.190 nan 0.000 0.455 151 G N 0.104 109.269 108.800 0.609 0.000 2.598 151 G HA2 0.025 3.985 3.960 -0.001 0.000 0.269 151 G HA3 0.025 3.985 3.960 -0.001 0.000 0.269 151 G C 1.012 176.137 174.900 0.375 0.000 1.289 151 G CA 0.993 46.410 45.100 0.528 0.000 0.926 151 G HN 2.222 nan 8.290 nan 0.000 0.567 152 A N -1.334 121.417 122.820 -0.115 0.000 1.940 152 A HA 0.148 4.467 4.320 -0.001 0.000 0.219 152 A C 2.246 179.722 177.584 -0.180 0.000 1.176 152 A CA 2.632 54.242 52.037 -0.711 0.000 0.631 152 A CB -0.548 17.813 19.000 -1.065 0.000 0.814 152 A HN 1.007 nan 8.150 nan 0.000 0.446 153 F N 0.008 120.036 119.950 0.129 0.000 2.154 153 F HA -0.076 4.451 4.527 -0.001 0.000 0.301 153 F C 2.428 178.260 175.800 0.053 0.000 1.087 153 F CA 1.293 59.341 58.000 0.080 0.000 1.274 153 F CB -0.637 38.363 39.000 0.000 0.000 1.009 153 F HN 0.299 nan 8.300 nan 0.000 0.485 154 G N -2.741 106.176 108.800 0.195 0.000 2.939 154 G HA2 0.105 4.065 3.960 -0.001 0.000 0.216 154 G HA3 0.105 4.065 3.960 -0.001 0.000 0.216 154 G C 0.678 175.131 174.900 -0.745 0.000 1.125 154 G CA 0.056 45.022 45.100 -0.222 0.000 0.766 154 G HN 0.334 nan 8.290 nan 0.000 0.541 155 F N -0.488 119.559 119.950 0.161 0.000 2.899 155 F HA 0.418 4.944 4.527 -0.001 0.000 0.337 155 F C 0.314 176.164 175.800 0.084 0.000 1.129 155 F CA -0.981 57.089 58.000 0.117 0.000 1.128 155 F CB 0.450 39.541 39.000 0.152 0.000 1.154 155 F HN -0.084 nan 8.300 nan 0.000 0.531 156 L N 2.282 123.504 121.223 -0.003 0.000 2.540 156 L HA 0.462 4.801 4.340 -0.001 0.000 0.276 156 L C 0.139 176.972 176.870 -0.061 0.000 1.212 156 L CA 0.254 54.972 54.840 -0.204 0.000 0.893 156 L CB 0.333 41.975 42.059 -0.695 0.000 1.138 156 L HN 0.157 nan 8.230 nan 0.000 0.491 157 A N 6.896 129.731 122.820 0.025 0.000 2.340 157 A HA 0.629 4.948 4.320 -0.001 0.000 0.297 157 A C -0.820 176.780 177.584 0.026 0.000 1.195 157 A CA -0.484 51.577 52.037 0.040 0.000 0.769 157 A CB 0.629 19.685 19.000 0.093 0.000 1.163 157 A HN 0.712 nan 8.150 nan 0.000 0.472 158 L N 4.316 125.546 121.223 0.011 0.000 2.581 158 L HA 0.247 4.586 4.340 -0.001 0.000 0.241 158 L C 0.458 177.367 176.870 0.065 0.000 1.265 158 L CA -0.443 54.408 54.840 0.018 0.000 0.954 158 L CB 0.307 42.344 42.059 -0.036 0.000 1.269 158 L HN 0.855 nan 8.230 nan 0.000 0.475 159 H N 1.919 120.991 119.070 0.003 0.000 3.140 159 H HA -0.022 4.534 4.556 -0.001 0.000 0.316 159 H C 1.122 176.457 175.328 0.011 0.000 0.986 159 H CA 1.899 57.956 56.048 0.015 0.000 1.397 159 H CB 0.828 30.603 29.762 0.022 0.000 1.377 159 H HN 0.791 nan 8.280 nan 0.000 0.585 160 G N 3.254 111.797 108.800 -0.429 0.000 2.259 160 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.217 160 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.217 160 G C 0.278 175.093 174.900 -0.142 0.000 1.001 160 G CA 0.255 45.164 45.100 -0.319 0.000 0.627 160 G HN 0.801 nan 8.290 nan 0.000 0.501 161 S N -0.047 115.604 115.700 -0.082 0.000 2.578 161 S HA 0.623 5.092 4.470 -0.001 0.000 0.283 161 S C 0.990 175.580 174.600 -0.017 0.000 1.195 161 S CA -0.057 58.122 58.200 -0.035 0.000 1.050 161 S CB 1.541 64.731 63.200 -0.018 0.000 1.012 161 S HN 0.181 nan 8.310 nan 0.000 0.511 162 Q N 1.693 121.493 119.800 -0.002 0.000 2.356 162 Q HA 0.189 4.529 4.340 -0.001 0.000 0.205 162 Q C 0.921 176.942 176.000 0.035 0.000 0.901 162 Q CA 0.290 56.102 55.803 0.015 0.000 0.938 162 Q CB 0.269 29.014 28.738 0.012 0.000 1.081 162 Q HN 0.693 nan 8.270 nan 0.000 0.517 163 E N 0.375 120.599 120.200 0.040 0.000 2.230 163 E HA 0.091 4.440 4.350 -0.001 0.000 0.192 163 E C 0.156 176.815 176.600 0.099 0.000 0.987 163 E CA 0.447 56.889 56.400 0.070 0.000 0.841 163 E CB 0.582 30.327 29.700 0.074 0.000 0.783 163 E HN 0.110 nan 8.360 nan 0.000 0.481 164 A N 1.703 124.556 122.820 0.054 0.000 3.300 164 A HA 0.285 4.605 4.320 -0.001 0.000 0.300 164 A C -2.104 175.490 177.584 0.017 0.000 1.099 164 A CA -0.869 51.187 52.037 0.032 0.000 0.846 164 A CB 0.693 19.628 19.000 -0.108 0.000 1.255 164 A HN -0.119 nan 8.150 nan 0.000 0.519 165 P HA 0.162 nan 4.420 nan 0.000 0.229 165 P C 0.887 178.241 177.300 0.089 0.000 1.160 165 P CA 1.665 64.808 63.100 0.071 0.000 0.777 165 P CB 0.271 32.014 31.700 0.073 0.000 0.814 166 G N 0.789 109.621 108.800 0.053 0.000 2.707 166 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.686 166 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.686 166 G C -0.071 174.837 174.900 0.013 0.000 1.315 166 G CA -0.275 44.859 45.100 0.057 0.000 0.832 166 G HN 0.109 nan 8.290 nan 0.000 0.573 167 N N -2.444 116.261 118.700 0.008 0.000 2.815 167 N HA -0.297 4.442 4.740 -0.001 0.000 0.247 167 N C 2.001 177.350 175.510 -0.268 0.000 1.030 167 N CA 2.615 55.596 53.050 -0.116 0.000 0.881 167 N CB -1.654 36.718 38.487 -0.192 0.000 1.134 167 N HN 1.937 nan 8.380 nan 0.000 0.582 168 V N -2.628 117.132 119.914 -0.257 0.000 2.594 168 V HA -0.047 4.073 4.120 -0.001 0.000 0.253 168 V C 2.302 178.253 176.094 -0.239 0.000 1.069 168 V CA 2.373 64.567 62.300 -0.176 0.000 1.082 168 V CB -0.992 30.782 31.823 -0.082 0.000 0.680 168 V HN 0.292 nan 8.190 nan 0.000 0.469 169 G N 0.224 108.665 108.800 -0.598 0.000 2.422 169 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.218 169 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.218 169 G C 1.543 176.399 174.900 -0.074 0.000 1.140 169 G CA 1.049 45.940 45.100 -0.348 0.000 0.775 169 G HN 0.535 nan 8.290 nan 0.000 0.545 170 L N -0.146 120.984 121.223 -0.155 0.000 2.109 170 L HA 0.082 4.421 4.340 -0.001 0.000 0.207 170 L C 2.814 179.713 176.870 0.050 0.000 1.086 170 L CA 0.398 55.154 54.840 -0.139 0.000 0.760 170 L CB -0.270 41.423 42.059 -0.610 0.000 0.910 170 L HN 0.176 nan 8.230 nan 0.000 0.437 171 L N -0.546 120.698 121.223 0.035 0.000 2.141 171 L HA -0.211 4.129 4.340 -0.001 0.000 0.209 171 L C 2.135 179.090 176.870 0.140 0.000 1.094 171 L CA 0.844 55.774 54.840 0.149 0.000 0.763 171 L CB -0.597 41.528 42.059 0.110 0.000 0.908 171 L HN 0.295 nan 8.230 nan 0.000 0.437 172 D N -0.110 120.370 120.400 0.133 0.000 2.097 172 D HA -0.194 4.445 4.640 -0.001 0.000 0.195 172 D C 2.271 178.658 176.300 0.144 0.000 0.989 172 D CA 1.118 55.264 54.000 0.243 0.000 0.827 172 D CB -0.157 40.829 40.800 0.309 0.000 0.966 172 D HN 0.385 nan 8.370 nan 0.000 0.456 173 Q N 0.187 120.027 119.800 0.067 0.000 2.061 173 Q HA -0.151 4.189 4.340 -0.001 0.000 0.204 173 Q C 2.300 178.221 176.000 -0.132 0.000 0.984 173 Q CA 1.120 56.882 55.803 -0.069 0.000 0.846 173 Q CB -0.086 28.642 28.738 -0.016 0.000 0.902 173 Q HN 0.193 nan 8.270 nan 0.000 0.421 174 R N 0.270 120.781 120.500 0.018 0.000 2.105 174 R HA -0.196 4.143 4.340 -0.001 0.000 0.239 174 R C 2.194 178.478 176.300 -0.027 0.000 1.135 174 R CA 1.589 57.682 56.100 -0.011 0.000 0.967 174 R CB -0.131 30.261 30.300 0.154 0.000 0.861 174 R HN 0.203 nan 8.270 nan 0.000 0.442 175 M N 0.435 120.046 119.600 0.018 0.000 2.117 175 M HA -0.052 4.428 4.480 -0.001 0.000 0.262 175 M C 2.010 178.269 176.300 -0.068 0.000 1.065 175 M CA 1.981 57.323 55.300 0.070 0.000 1.114 175 M CB -0.301 32.442 32.600 0.239 0.000 1.361 175 M HN 0.243 nan 8.290 nan 0.000 0.408 176 A N -0.178 122.344 122.820 -0.496 0.000 1.898 176 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 176 A C 2.170 179.627 177.584 -0.211 0.000 1.181 176 A CA 1.648 53.206 52.037 -0.798 0.000 0.620 176 A CB -1.071 17.193 19.000 -1.227 0.000 0.819 176 A HN 0.568 nan 8.150 nan 0.000 0.442 177 L N -1.017 120.107 121.223 -0.165 0.000 2.141 177 L HA -0.217 4.123 4.340 -0.001 0.000 0.209 177 L C 2.836 179.745 176.870 0.064 0.000 1.094 177 L CA 1.652 56.465 54.840 -0.045 0.000 0.763 177 L CB -0.451 41.541 42.059 -0.112 0.000 0.908 177 L HN 0.502 nan 8.230 nan 0.000 0.437 178 Q N -0.289 119.544 119.800 0.056 0.000 2.079 178 Q HA -0.253 4.087 4.340 -0.001 0.000 0.200 178 Q C 2.012 178.117 176.000 0.175 0.000 0.974 178 Q CA 1.892 57.749 55.803 0.090 0.000 0.840 178 Q CB -0.470 28.311 28.738 0.071 0.000 0.898 178 Q HN 0.459 nan 8.270 nan 0.000 0.430 179 W N -0.619 120.696 121.300 0.026 0.000 2.358 179 W HA -0.181 4.479 4.660 -0.001 0.000 0.303 179 W C 1.880 178.441 176.519 0.069 0.000 1.208 179 W CA 1.791 59.175 57.345 0.064 0.000 1.274 179 W CB -0.254 29.244 29.460 0.063 0.000 1.138 179 W HN 0.022 nan 8.180 nan 0.000 0.515 180 V N 0.069 120.201 119.914 0.363 0.000 2.287 180 V HA -0.396 3.724 4.120 -0.001 0.000 0.248 180 V C 2.575 178.710 176.094 0.070 0.000 1.053 180 V CA 2.388 64.827 62.300 0.232 0.000 1.027 180 V CB -1.358 30.578 31.823 0.187 0.000 0.646 180 V HN 0.362 nan 8.190 nan 0.000 0.447 181 H N 0.242 119.316 119.070 0.006 0.000 2.352 181 H HA -0.189 4.367 4.556 -0.001 0.000 0.299 181 H C 1.978 177.244 175.328 -0.102 0.000 1.097 181 H CA 2.179 58.205 56.048 -0.035 0.000 1.311 181 H CB -0.045 29.708 29.762 -0.015 0.000 1.377 181 H HN 0.438 nan 8.280 nan 0.000 0.504 182 D N -0.161 120.218 120.400 -0.034 0.000 2.194 182 D HA -0.058 4.582 4.640 -0.001 0.000 0.204 182 D C 1.404 177.540 176.300 -0.273 0.000 0.964 182 D CA 0.703 54.618 54.000 -0.142 0.000 0.846 182 D CB -0.021 40.715 40.800 -0.106 0.000 0.962 182 D HN 0.485 nan 8.370 nan 0.000 0.490 183 N N -0.150 118.316 118.700 -0.390 0.000 2.210 183 N HA 0.028 4.768 4.740 -0.001 0.000 0.203 183 N C 1.491 176.943 175.510 -0.096 0.000 1.175 183 N CA -0.159 52.707 53.050 -0.306 0.000 0.894 183 N CB 1.028 39.020 38.487 -0.825 0.000 1.041 183 N HN 0.023 nan 8.380 nan 0.000 0.506 184 I N 3.130 123.647 120.570 -0.089 0.000 2.530 184 I HA -0.259 3.910 4.170 -0.001 0.000 0.257 184 I C 2.592 178.717 176.117 0.013 0.000 1.179 184 I CA 1.298 62.645 61.300 0.077 0.000 1.440 184 I CB -0.217 37.803 38.000 0.033 0.000 1.087 184 I HN 0.205 nan 8.210 nan 0.000 0.440 185 Q N -0.757 118.870 119.800 -0.288 0.000 2.170 185 Q HA -0.233 4.106 4.340 -0.001 0.000 0.203 185 Q C 1.837 177.621 176.000 -0.361 0.000 0.976 185 Q CA 1.676 57.245 55.803 -0.391 0.000 0.858 185 Q CB -0.822 27.544 28.738 -0.620 0.000 0.907 185 Q HN 0.424 nan 8.270 nan 0.000 0.433 186 F N -0.280 119.633 119.950 -0.062 0.000 2.604 186 F HA 0.108 4.635 4.527 -0.001 0.000 0.298 186 F C 0.961 176.559 175.800 -0.336 0.000 1.131 186 F CA 0.299 58.169 58.000 -0.217 0.000 1.457 186 F CB -0.080 38.718 39.000 -0.336 0.000 1.095 186 F HN -0.001 nan 8.300 nan 0.000 0.574 187 F N -0.599 119.360 119.950 0.016 0.000 2.695 187 F HA 0.414 4.941 4.527 -0.001 0.000 0.303 187 F C 1.787 177.599 175.800 0.021 0.000 1.091 187 F CA 0.346 58.331 58.000 -0.025 0.000 1.300 187 F CB 0.032 38.993 39.000 -0.065 0.000 1.071 187 F HN 0.027 nan 8.300 nan 0.000 0.578 188 G N 0.177 109.054 108.800 0.129 0.000 2.159 188 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.227 188 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.227 188 G C 0.537 175.481 174.900 0.073 0.000 0.986 188 G CA -0.305 44.848 45.100 0.088 0.000 0.651 188 G HN 0.705 nan 8.290 nan 0.000 0.523 189 G N -0.394 108.452 108.800 0.077 0.000 2.400 189 G HA2 0.508 4.467 3.960 -0.001 0.000 0.301 189 G HA3 0.508 4.467 3.960 -0.001 0.000 0.301 189 G C -0.785 174.103 174.900 -0.021 0.000 1.154 189 G CA 0.234 45.362 45.100 0.047 0.000 0.852 189 G HN 0.266 nan 8.290 nan 0.000 0.511 190 D N 1.765 122.152 120.400 -0.023 0.000 2.380 190 D HA 0.250 4.890 4.640 -0.001 0.000 0.230 190 D C -0.978 175.284 176.300 -0.064 0.000 1.154 190 D CA -2.417 51.549 54.000 -0.057 0.000 0.859 190 D CB 1.751 42.526 40.800 -0.040 0.000 1.045 190 D HN 0.084 nan 8.370 nan 0.000 0.495 191 P HA -0.109 nan 4.420 nan 0.000 0.231 191 P C 0.531 177.781 177.300 -0.083 0.000 1.158 191 P CA 0.438 63.454 63.100 -0.141 0.000 0.763 191 P CB 0.304 31.808 31.700 -0.328 0.000 0.805 192 K N -1.175 119.184 120.400 -0.069 0.000 2.374 192 K HA 0.175 4.494 4.320 -0.001 0.000 0.196 192 K C 0.903 177.491 176.600 -0.020 0.000 1.023 192 K CA 0.452 56.718 56.287 -0.035 0.000 1.103 192 K CB -0.210 32.261 32.500 -0.048 0.000 0.848 192 K HN 0.265 nan 8.250 nan 0.000 0.528 193 T N 0.992 115.538 114.554 -0.014 0.000 3.630 193 T HA 0.281 4.631 4.350 -0.001 0.000 0.238 193 T C -0.587 174.123 174.700 0.016 0.000 1.195 193 T CA -0.270 61.822 62.100 -0.014 0.000 1.433 193 T CB 0.519 69.368 68.868 -0.032 0.000 0.940 193 T HN -0.059 nan 8.240 nan 0.000 0.641 194 V N 2.082 122.033 119.914 0.062 0.000 2.370 194 V HA 0.461 4.580 4.120 -0.001 0.000 0.279 194 V C 0.365 176.554 176.094 0.159 0.000 1.029 194 V CA -0.407 61.960 62.300 0.112 0.000 0.870 194 V CB 1.545 33.460 31.823 0.153 0.000 0.984 194 V HN 0.488 nan 8.190 nan 0.000 0.451 195 T N 6.619 121.250 114.554 0.129 0.000 2.758 195 T HA 0.567 4.917 4.350 -0.001 0.000 0.285 195 T C -0.083 174.728 174.700 0.186 0.000 0.981 195 T CA -0.165 62.024 62.100 0.149 0.000 0.965 195 T CB 0.715 69.622 68.868 0.066 0.000 0.927 195 T HN 0.610 nan 8.240 nan 0.000 0.448 196 I N 1.860 122.513 120.570 0.137 0.000 2.396 196 I HA 0.838 5.008 4.170 -0.001 0.000 0.292 196 I C -0.814 175.465 176.117 0.271 0.000 0.999 196 I CA -0.912 60.450 61.300 0.105 0.000 1.310 196 I CB 0.744 38.580 38.000 -0.274 0.000 1.404 196 I HN 0.474 nan 8.210 nan 0.000 0.496 197 F N 3.254 123.232 119.950 0.045 0.000 2.591 197 F HA 0.994 5.520 4.527 -0.001 0.000 0.309 197 F C -0.462 175.323 175.800 -0.025 0.000 1.098 197 F CA -1.332 56.737 58.000 0.116 0.000 0.937 197 F CB 1.315 40.507 39.000 0.320 0.000 1.250 197 F HN 0.818 nan 8.300 nan 0.000 0.447 198 G N 1.286 109.964 108.800 -0.203 0.000 2.660 198 G HA2 0.503 4.463 3.960 -0.001 0.000 0.290 198 G HA3 0.503 4.463 3.960 -0.001 0.000 0.290 198 G C -2.489 172.226 174.900 -0.309 0.000 1.432 198 G CA -0.798 43.813 45.100 -0.816 0.000 0.807 198 G HN 0.862 nan 8.290 nan 0.000 0.485 199 E N 0.238 120.228 120.200 -0.349 0.000 2.256 199 E HA 0.635 4.985 4.350 -0.001 0.000 0.267 199 E C 0.670 177.235 176.600 -0.059 0.000 0.892 199 E CA 0.275 56.685 56.400 0.017 0.000 0.775 199 E CB 2.137 32.001 29.700 0.272 0.000 1.207 199 E HN 0.809 nan 8.360 nan 0.000 0.420 200 S N 2.460 118.178 115.700 0.029 0.000 4.114 200 S HA -0.386 4.084 4.470 -0.001 0.000 0.618 200 S C 1.422 176.098 174.600 0.126 0.000 1.937 200 S CA 1.993 60.265 58.200 0.120 0.000 4.228 200 S CB -1.617 61.575 63.200 -0.012 0.000 0.216 200 S HN 0.958 nan 8.310 nan 0.000 0.528 201 A N 0.958 123.726 122.820 -0.087 0.000 2.070 201 A HA 0.184 4.503 4.320 -0.001 0.000 0.220 201 A C 2.391 179.765 177.584 -0.350 0.000 1.159 201 A CA 2.288 54.120 52.037 -0.342 0.000 0.656 201 A CB -1.450 16.912 19.000 -1.063 0.000 0.800 201 A HN 1.545 nan 8.150 nan 0.000 0.453 202 G N -0.651 107.988 108.800 -0.268 0.000 2.421 202 G HA2 0.097 4.056 3.960 -0.001 0.000 0.217 202 G HA3 0.097 4.056 3.960 -0.001 0.000 0.217 202 G C 1.432 176.177 174.900 -0.258 0.000 1.143 202 G CA 1.096 45.992 45.100 -0.340 0.000 0.784 202 G HN 0.635 nan 8.290 nan 0.000 0.541 203 G N 0.994 109.706 108.800 -0.147 0.000 2.403 203 G HA2 0.117 4.077 3.960 -0.001 0.000 0.216 203 G HA3 0.117 4.077 3.960 -0.001 0.000 0.216 203 G C 2.006 176.833 174.900 -0.123 0.000 1.154 203 G CA 1.364 46.410 45.100 -0.090 0.000 0.784 203 G HN 0.565 nan 8.290 nan 0.000 0.538 204 A N 0.825 123.602 122.820 -0.071 0.000 1.930 204 A HA 0.045 4.364 4.320 -0.001 0.000 0.217 204 A C 2.686 180.225 177.584 -0.075 0.000 1.175 204 A CA 2.154 54.124 52.037 -0.112 0.000 0.627 204 A CB -0.601 18.374 19.000 -0.042 0.000 0.815 204 A HN 0.290 nan 8.150 nan 0.000 0.443 205 S N -0.368 115.307 115.700 -0.042 0.000 2.359 205 S HA -0.159 4.310 4.470 -0.001 0.000 0.224 205 S C 1.929 176.451 174.600 -0.130 0.000 1.035 205 S CA 1.492 59.640 58.200 -0.087 0.000 1.018 205 S CB -0.571 62.538 63.200 -0.151 0.000 0.876 205 S HN 0.347 nan 8.310 nan 0.000 0.448 206 V N 1.615 121.463 119.914 -0.111 0.000 2.252 206 V HA -0.226 3.894 4.120 -0.001 0.000 0.249 206 V C 2.615 178.654 176.094 -0.092 0.000 1.056 206 V CA 2.117 64.357 62.300 -0.101 0.000 1.022 206 V CB -1.492 30.256 31.823 -0.124 0.000 0.641 206 V HN 0.616 nan 8.190 nan 0.000 0.445 207 G N -1.218 107.476 108.800 -0.177 0.000 2.432 207 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.219 207 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.219 207 G C 1.582 176.466 174.900 -0.028 0.000 1.135 207 G CA 1.004 45.966 45.100 -0.229 0.000 0.767 207 G HN 0.468 nan 8.290 nan 0.000 0.550 208 M N -0.264 119.334 119.600 -0.003 0.000 2.254 208 M HA 0.036 4.516 4.480 -0.001 0.000 0.265 208 M C 2.192 178.590 176.300 0.164 0.000 1.066 208 M CA 0.784 56.202 55.300 0.197 0.000 1.123 208 M CB -0.169 32.562 32.600 0.218 0.000 1.388 208 M HN 0.173 nan 8.290 nan 0.000 0.425 209 H N -0.235 118.949 119.070 0.189 0.000 2.470 209 H HA 0.081 4.637 4.556 -0.001 0.000 0.289 209 H C 2.064 177.593 175.328 0.334 0.000 1.033 209 H CA 1.150 57.309 56.048 0.184 0.000 1.331 209 H CB -0.077 29.681 29.762 -0.008 0.000 1.414 209 H HN 0.407 nan 8.280 nan 0.000 0.545 210 I N 0.274 121.104 120.570 0.433 0.000 2.353 210 I HA -0.216 3.953 4.170 -0.001 0.000 0.248 210 I C 2.149 178.506 176.117 0.400 0.000 1.119 210 I CA 0.767 62.371 61.300 0.507 0.000 1.417 210 I CB -0.010 38.232 38.000 0.403 0.000 1.078 210 I HN 0.108 nan 8.210 nan 0.000 0.421 211 L N -0.534 120.887 121.223 0.331 0.000 2.049 211 L HA -0.048 4.292 4.340 -0.001 0.000 0.203 211 L C 1.552 178.529 176.870 0.179 0.000 1.074 211 L CA 0.379 55.413 54.840 0.323 0.000 0.749 211 L CB -0.319 41.961 42.059 0.368 0.000 0.907 211 L HN 0.062 nan 8.230 nan 0.000 0.439 212 S N 0.186 115.902 115.700 0.028 0.000 2.509 212 S HA 0.057 4.527 4.470 -0.001 0.000 0.287 212 S C -1.488 172.987 174.600 -0.207 0.000 1.248 212 S CA -1.262 56.752 58.200 -0.310 0.000 1.089 212 S CB 0.778 63.334 63.200 -1.074 0.000 0.900 212 S HN -0.068 nan 8.310 nan 0.000 0.496 213 P HA -0.078 nan 4.420 nan 0.000 0.216 213 P C 1.393 178.608 177.300 -0.142 0.000 1.153 213 P CA 1.251 64.280 63.100 -0.118 0.000 0.858 213 P CB -0.099 31.537 31.700 -0.105 0.000 0.789 214 G N -1.736 106.931 108.800 -0.223 0.000 2.679 214 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.212 214 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.212 214 G C 1.305 176.128 174.900 -0.127 0.000 1.137 214 G CA 0.526 45.517 45.100 -0.182 0.000 0.787 214 G HN 0.235 nan 8.290 nan 0.000 0.534 215 S N -0.583 115.065 115.700 -0.087 0.000 2.539 215 S HA 0.118 4.588 4.470 -0.001 0.000 0.226 215 S C 2.175 176.865 174.600 0.149 0.000 1.054 215 S CA -0.449 57.800 58.200 0.082 0.000 0.910 215 S CB 0.239 63.618 63.200 0.298 0.000 0.818 215 S HN 0.343 nan 8.310 nan 0.000 0.490 216 R N 2.026 122.557 120.500 0.052 0.000 2.119 216 R HA -0.143 4.196 4.340 -0.001 0.000 0.246 216 R C 0.760 176.856 176.300 -0.341 0.000 1.146 216 R CA 1.795 57.818 56.100 -0.128 0.000 0.962 216 R CB -0.542 29.708 30.300 -0.082 0.000 0.863 216 R HN 0.308 nan 8.270 nan 0.000 0.442 217 D N 0.343 120.622 120.400 -0.203 0.000 2.363 217 D HA -0.024 4.616 4.640 -0.001 0.000 0.226 217 D C 1.438 177.615 176.300 -0.204 0.000 1.020 217 D CA 0.670 54.545 54.000 -0.208 0.000 0.892 217 D CB 0.066 40.767 40.800 -0.166 0.000 0.900 217 D HN 0.268 nan 8.370 nan 0.000 0.531 218 L N -0.368 120.775 121.223 -0.134 0.000 2.591 218 L HA 0.151 4.491 4.340 -0.001 0.000 0.228 218 L C 0.082 177.072 176.870 0.200 0.000 1.133 218 L CA 0.058 54.896 54.840 -0.003 0.000 0.880 218 L CB -0.189 41.900 42.059 0.050 0.000 1.033 218 L HN -0.039 nan 8.230 nan 0.000 0.450 219 F N -4.029 115.932 119.950 0.019 0.000 2.711 219 F HA 0.584 5.111 4.527 -0.001 0.000 0.313 219 F C 0.451 176.278 175.800 0.044 0.000 1.141 219 F CA -1.326 56.698 58.000 0.040 0.000 0.941 219 F CB 1.168 40.188 39.000 0.033 0.000 1.349 219 F HN -0.404 nan 8.300 nan 0.000 0.464 220 R N 0.552 121.129 120.500 0.129 0.000 2.121 220 R HA 0.482 4.821 4.340 -0.001 0.000 0.206 220 R C -0.059 176.305 176.300 0.108 0.000 1.094 220 R CA 0.874 56.986 56.100 0.020 0.000 1.055 220 R CB 0.311 30.621 30.300 0.016 0.000 0.964 220 R HN 0.778 nan 8.270 nan 0.000 0.473 221 R N -1.229 119.426 120.500 0.258 0.000 2.888 221 R HA 0.764 5.104 4.340 -0.001 0.000 0.264 221 R C -1.502 175.039 176.300 0.401 0.000 1.045 221 R CA -0.714 55.542 56.100 0.261 0.000 0.962 221 R CB 2.235 32.513 30.300 -0.036 0.000 1.210 221 R HN 0.201 nan 8.270 nan 0.000 0.479 222 A N 1.311 124.364 122.820 0.389 0.000 2.515 222 A HA 0.709 5.028 4.320 -0.001 0.000 0.298 222 A C -1.198 176.499 177.584 0.189 0.000 1.059 222 A CA -0.621 51.567 52.037 0.251 0.000 0.698 222 A CB 1.301 20.404 19.000 0.173 0.000 1.289 222 A HN 0.568 nan 8.150 nan 0.000 0.404 223 I N 1.741 122.383 120.570 0.120 0.000 2.466 223 I HA 0.382 4.552 4.170 -0.001 0.000 0.289 223 I C -1.502 174.672 176.117 0.095 0.000 1.026 223 I CA -0.593 60.717 61.300 0.017 0.000 1.078 223 I CB 1.929 39.924 38.000 -0.007 0.000 1.249 223 I HN 0.433 nan 8.210 nan 0.000 0.429 224 L N 6.643 127.891 121.223 0.042 0.000 2.325 224 L HA 0.449 4.789 4.340 -0.001 0.000 0.281 224 L C -0.499 176.456 176.870 0.143 0.000 1.004 224 L CA -0.246 54.620 54.840 0.044 0.000 0.823 224 L CB 1.576 43.591 42.059 -0.074 0.000 1.236 224 L HN 0.488 nan 8.230 nan 0.000 0.415 225 Q N 1.892 121.827 119.800 0.224 0.000 2.348 225 Q HA 0.474 4.814 4.340 -0.001 0.000 0.265 225 Q C 0.012 176.141 176.000 0.215 0.000 0.998 225 Q CA -0.569 55.434 55.803 0.333 0.000 0.831 225 Q CB 1.539 30.579 28.738 0.504 0.000 1.251 225 Q HN 0.643 nan 8.270 nan 0.000 0.456 226 S N 1.045 116.861 115.700 0.193 0.000 3.614 226 S HA -0.169 4.301 4.470 -0.001 0.000 0.360 226 S C 0.007 174.769 174.600 0.270 0.000 1.023 226 S CA 0.617 58.952 58.200 0.226 0.000 1.114 226 S CB -1.114 62.238 63.200 0.253 0.000 0.907 226 S HN 0.962 nan 8.310 nan 0.000 0.470 227 G N -0.190 108.707 108.800 0.161 0.000 2.691 227 G HA2 0.601 4.561 3.960 -0.001 0.000 0.298 227 G HA3 0.601 4.561 3.960 -0.001 0.000 0.298 227 G C -0.975 173.887 174.900 -0.064 0.000 1.471 227 G CA 0.133 45.333 45.100 0.167 0.000 0.912 227 G HN 1.064 nan 8.290 nan 0.000 0.553 228 S N 1.588 117.171 115.700 -0.194 0.000 2.556 228 S HA 0.776 5.245 4.470 -0.001 0.000 0.271 228 S C -1.984 172.331 174.600 -0.475 0.000 1.135 228 S CA -1.207 56.733 58.200 -0.432 0.000 0.858 228 S CB 3.148 66.117 63.200 -0.385 0.000 1.114 228 S HN 0.400 nan 8.310 nan 0.000 0.468 229 P HA -0.157 nan 4.420 nan 0.000 0.219 229 P C 0.626 177.696 177.300 -0.384 0.000 1.146 229 P CA 1.395 64.263 63.100 -0.386 0.000 0.808 229 P CB -0.286 31.232 31.700 -0.304 0.000 0.779 230 N N -0.883 117.614 118.700 -0.338 0.000 2.383 230 N HA -0.018 4.721 4.740 -0.001 0.000 0.192 230 N C 0.076 175.342 175.510 -0.408 0.000 1.141 230 N CA -0.181 52.700 53.050 -0.281 0.000 0.851 230 N CB -1.316 37.124 38.487 -0.078 0.000 0.976 230 N HN 0.040 nan 8.380 nan 0.000 0.465 231 C N 2.964 121.892 119.300 -0.620 0.000 2.634 231 C HA 0.077 4.537 4.460 -0.001 0.000 0.417 231 C C -0.157 174.305 174.990 -0.881 0.000 1.334 231 C CA -0.907 57.579 59.018 -0.886 0.000 1.829 231 C CB 1.061 27.887 27.740 -1.523 0.000 2.665 231 C HN 0.360 nan 8.230 nan 0.000 0.614 232 P HA -0.126 nan 4.420 nan 0.000 0.221 232 P C 1.136 178.221 177.300 -0.358 0.000 1.145 232 P CA 1.887 64.690 63.100 -0.496 0.000 0.795 232 P CB -0.076 31.329 31.700 -0.493 0.000 0.775 233 W N -1.638 119.514 121.300 -0.246 0.000 3.177 233 W HA 0.569 5.229 4.660 -0.000 0.000 0.309 233 W C 1.241 177.801 176.519 0.068 0.000 1.224 233 W CA 0.317 57.596 57.345 -0.111 0.000 1.718 233 W CB -0.993 28.408 29.460 -0.100 0.000 1.078 233 W HN -0.128 nan 8.180 nan 0.000 0.618 234 A N 1.528 124.054 122.820 -0.490 0.000 2.167 234 A HA 0.144 4.464 4.320 -0.001 0.000 0.214 234 A C 1.050 178.489 177.584 -0.242 0.000 1.151 234 A CA 1.290 53.163 52.037 -0.274 0.000 0.735 234 A CB -0.552 18.023 19.000 -0.708 0.000 0.802 234 A HN 0.244 nan 8.150 nan 0.000 0.467 235 S N -2.024 113.515 115.700 -0.268 0.000 2.588 235 S HA 0.627 5.097 4.470 -0.001 0.000 0.269 235 S C -0.813 173.661 174.600 -0.211 0.000 1.157 235 S CA -0.103 57.924 58.200 -0.287 0.000 0.824 235 S CB 1.261 64.221 63.200 -0.399 0.000 1.126 235 S HN 1.332 nan 8.310 nan 0.000 0.464 236 V N -1.030 118.777 119.914 -0.178 0.000 3.160 236 V HA 0.946 5.066 4.120 -0.001 0.000 0.310 236 V C 0.182 176.203 176.094 -0.123 0.000 1.181 236 V CA -0.461 61.758 62.300 -0.135 0.000 1.047 236 V CB 1.137 32.897 31.823 -0.105 0.000 1.068 236 V HN 1.528 nan 8.190 nan 0.000 0.441 237 S N 0.311 115.950 115.700 -0.101 0.000 2.614 237 S HA 0.361 4.831 4.470 -0.001 0.000 0.265 237 S C 0.969 175.522 174.600 -0.077 0.000 1.303 237 S CA 0.166 58.312 58.200 -0.091 0.000 1.000 237 S CB 1.347 64.505 63.200 -0.071 0.000 0.935 237 S HN 1.062 nan 8.310 nan 0.000 0.551 238 V N 1.628 121.487 119.914 -0.093 0.000 2.407 238 V HA -0.167 3.953 4.120 -0.001 0.000 0.248 238 V C 2.837 178.918 176.094 -0.022 0.000 1.055 238 V CA 2.347 64.596 62.300 -0.087 0.000 1.049 238 V CB -1.628 30.073 31.823 -0.204 0.000 0.662 238 V HN 1.006 nan 8.190 nan 0.000 0.455 239 A N -0.169 122.636 122.820 -0.025 0.000 1.873 239 A HA -0.223 4.097 4.320 -0.001 0.000 0.215 239 A C 2.190 179.759 177.584 -0.024 0.000 1.186 239 A CA 1.905 53.935 52.037 -0.012 0.000 0.616 239 A CB -0.465 18.527 19.000 -0.014 0.000 0.823 239 A HN 0.547 nan 8.150 nan 0.000 0.442 240 E N 0.172 120.347 120.200 -0.042 0.000 2.106 240 E HA -0.021 4.329 4.350 -0.001 0.000 0.192 240 E C 1.944 178.512 176.600 -0.052 0.000 0.984 240 E CA 1.489 57.852 56.400 -0.062 0.000 0.806 240 E CB -0.798 28.854 29.700 -0.080 0.000 0.750 240 E HN 0.385 nan 8.360 nan 0.000 0.458 241 G N 0.701 109.484 108.800 -0.029 0.000 2.418 241 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.217 241 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.217 241 G C 1.763 176.681 174.900 0.029 0.000 1.158 241 G CA 0.867 45.973 45.100 0.010 0.000 0.771 241 G HN 0.326 nan 8.290 nan 0.000 0.545 242 R N 0.284 120.795 120.500 0.019 0.000 2.073 242 R HA -0.007 4.333 4.340 -0.001 0.000 0.234 242 R C 2.570 178.872 176.300 0.004 0.000 1.134 242 R CA 1.444 57.554 56.100 0.018 0.000 0.952 242 R CB -0.363 29.951 30.300 0.023 0.000 0.850 242 R HN 0.325 nan 8.270 nan 0.000 0.433 243 R N 0.427 120.920 120.500 -0.013 0.000 2.083 243 R HA -0.140 4.199 4.340 -0.001 0.000 0.237 243 R C 2.221 178.505 176.300 -0.026 0.000 1.137 243 R CA 1.886 57.969 56.100 -0.027 0.000 0.951 243 R CB -0.103 30.166 30.300 -0.051 0.000 0.851 243 R HN 0.273 nan 8.270 nan 0.000 0.434 244 R N -0.311 120.170 120.500 -0.032 0.000 2.115 244 R HA -0.045 4.294 4.340 -0.001 0.000 0.230 244 R C 2.305 178.671 176.300 0.110 0.000 1.111 244 R CA 1.130 57.212 56.100 -0.030 0.000 0.976 244 R CB -0.236 29.969 30.300 -0.157 0.000 0.870 244 R HN 0.259 nan 8.270 nan 0.000 0.445 245 A N 0.776 123.668 122.820 0.119 0.000 1.873 245 A HA -0.095 4.225 4.320 -0.001 0.000 0.215 245 A C 2.337 179.926 177.584 0.009 0.000 1.186 245 A CA 1.241 53.323 52.037 0.074 0.000 0.616 245 A CB -0.464 18.525 19.000 -0.017 0.000 0.823 245 A HN 0.097 nan 8.150 nan 0.000 0.442 246 V N 0.070 119.985 119.914 0.002 0.000 2.343 246 V HA -0.215 3.905 4.120 -0.001 0.000 0.247 246 V C 2.588 178.684 176.094 0.003 0.000 1.051 246 V CA 2.336 64.632 62.300 -0.007 0.000 1.036 246 V CB -0.704 31.115 31.823 -0.007 0.000 0.654 246 V HN 0.665 nan 8.190 nan 0.000 0.451 247 E N 0.295 120.500 120.200 0.009 0.000 2.153 247 E HA -0.209 4.141 4.350 -0.001 0.000 0.194 247 E C 1.897 178.516 176.600 0.032 0.000 0.988 247 E CA 1.088 57.494 56.400 0.009 0.000 0.811 247 E CB -0.403 29.290 29.700 -0.011 0.000 0.746 247 E HN 0.454 nan 8.360 nan 0.000 0.466 248 L N -0.374 120.887 121.223 0.064 0.000 2.056 248 L HA 0.042 4.382 4.340 -0.001 0.000 0.207 248 L C 2.154 179.039 176.870 0.025 0.000 1.078 248 L CA 2.268 57.155 54.840 0.079 0.000 0.749 248 L CB -0.951 41.179 42.059 0.118 0.000 0.901 248 L HN 0.232 nan 8.230 nan 0.000 0.433 249 G N -1.041 107.759 108.800 -0.000 0.000 2.422 249 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.218 249 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.218 249 G C 1.800 176.704 174.900 0.007 0.000 1.146 249 G CA 0.743 45.838 45.100 -0.008 0.000 0.769 249 G HN 0.397 nan 8.290 nan 0.000 0.547 250 R N 0.390 120.896 120.500 0.011 0.000 2.096 250 R HA -0.022 4.318 4.340 -0.001 0.000 0.235 250 R C 2.240 178.552 176.300 0.020 0.000 1.127 250 R CA 1.318 57.426 56.100 0.013 0.000 0.968 250 R CB -0.272 30.035 30.300 0.011 0.000 0.861 250 R HN 0.299 nan 8.270 nan 0.000 0.440 251 N N 0.139 118.855 118.700 0.027 0.000 2.381 251 N HA -0.103 4.637 4.740 -0.001 0.000 0.182 251 N C 0.824 176.355 175.510 0.035 0.000 1.025 251 N CA 0.905 53.977 53.050 0.036 0.000 0.888 251 N CB 0.189 38.705 38.487 0.049 0.000 0.965 251 N HN 0.275 nan 8.380 nan 0.000 0.438 252 L N 0.516 121.756 121.223 0.028 0.000 2.818 252 L HA 0.201 4.540 4.340 -0.001 0.000 0.243 252 L C -0.518 176.364 176.870 0.020 0.000 1.185 252 L CA -0.102 54.753 54.840 0.026 0.000 0.988 252 L CB -0.335 41.737 42.059 0.021 0.000 1.292 252 L HN 0.057 nan 8.230 nan 0.000 0.519 253 N N -1.291 117.421 118.700 0.020 0.000 2.725 253 N HA -0.181 4.558 4.740 -0.001 0.000 0.251 253 N C -0.217 175.303 175.510 0.016 0.000 1.031 253 N CA 0.112 53.173 53.050 0.018 0.000 0.720 253 N CB -1.649 36.850 38.487 0.020 0.000 0.930 253 N HN 0.272 nan 8.380 nan 0.000 0.543 254 c N 0.670 119.278 118.600 0.013 0.000 2.398 254 c HA 0.318 4.888 4.570 -0.001 0.000 0.364 254 c C 1.132 175.233 174.090 0.019 0.000 1.219 254 c CA -0.973 55.365 56.329 0.014 0.000 2.312 254 c CB 0.892 43.405 42.510 0.004 0.000 2.428 254 c HN 0.477 nan 8.230 nan 0.000 0.564 255 N N 1.728 120.446 118.700 0.030 0.000 2.475 255 N HA 0.147 4.887 4.740 -0.001 0.000 0.267 255 N C -0.083 175.442 175.510 0.024 0.000 1.169 255 N CA 0.199 53.268 53.050 0.031 0.000 0.947 255 N CB 0.483 38.998 38.487 0.046 0.000 1.061 255 N HN 0.621 nan 8.380 nan 0.000 0.466 256 L N 2.369 123.602 121.223 0.016 0.000 2.818 256 L HA 0.155 4.495 4.340 -0.001 0.000 0.243 256 L C 2.125 179.000 176.870 0.009 0.000 1.185 256 L CA -0.061 54.785 54.840 0.010 0.000 0.988 256 L CB -0.888 41.174 42.059 0.006 0.000 1.292 256 L HN 0.607 nan 8.230 nan 0.000 0.519 257 N N 0.773 119.481 118.700 0.013 0.000 2.244 257 N HA -0.086 4.654 4.740 -0.001 0.000 0.183 257 N C 0.935 176.450 175.510 0.008 0.000 1.016 257 N CA 1.328 54.384 53.050 0.010 0.000 0.866 257 N CB 0.087 38.581 38.487 0.012 0.000 0.980 257 N HN 0.506 nan 8.380 nan 0.000 0.430 258 S N -2.864 112.842 115.700 0.010 0.000 2.596 258 S HA 0.433 4.902 4.470 -0.001 0.000 0.270 258 S C -0.661 173.943 174.600 0.007 0.000 1.155 258 S CA -0.318 57.886 58.200 0.007 0.000 0.827 258 S CB 1.322 64.525 63.200 0.006 0.000 1.130 258 S HN 0.043 nan 8.310 nan 0.000 0.467 259 D N 1.339 121.739 120.400 0.001 0.000 2.123 259 D HA -0.053 4.587 4.640 -0.001 0.000 0.196 259 D C 1.976 178.282 176.300 0.010 0.000 0.992 259 D CA 1.745 55.742 54.000 -0.005 0.000 0.833 259 D CB -0.330 40.464 40.800 -0.010 0.000 0.954 259 D HN 0.624 nan 8.370 nan 0.000 0.455 260 E N 0.609 120.819 120.200 0.018 0.000 2.077 260 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 260 E C 2.070 178.711 176.600 0.067 0.000 0.989 260 E CA 0.882 57.303 56.400 0.036 0.000 0.800 260 E CB -0.293 29.417 29.700 0.017 0.000 0.746 260 E HN 0.483 nan 8.360 nan 0.000 0.452 261 E N -0.041 120.191 120.200 0.054 0.000 2.047 261 E HA -0.114 4.236 4.350 -0.001 0.000 0.191 261 E C 2.288 178.944 176.600 0.094 0.000 0.987 261 E CA 0.896 57.346 56.400 0.084 0.000 0.799 261 E CB -0.421 29.311 29.700 0.052 0.000 0.752 261 E HN 0.225 nan 8.360 nan 0.000 0.449 262 L N 1.444 122.693 121.223 0.044 0.000 1.989 262 L HA -0.155 4.184 4.340 -0.001 0.000 0.211 262 L C 2.275 179.150 176.870 0.009 0.000 1.071 262 L CA 1.516 56.363 54.840 0.011 0.000 0.749 262 L CB -0.621 41.424 42.059 -0.023 0.000 0.890 262 L HN 0.055 nan 8.230 nan 0.000 0.431 263 I N -1.040 119.542 120.570 0.019 0.000 2.208 263 I HA -0.351 3.818 4.170 -0.001 0.000 0.245 263 I C 2.568 178.770 176.117 0.142 0.000 1.097 263 I CA 1.609 62.941 61.300 0.053 0.000 1.363 263 I CB -0.602 37.438 38.000 0.067 0.000 1.051 263 I HN 0.482 nan 8.210 nan 0.000 0.413 264 H N 0.452 119.558 119.070 0.060 0.000 2.319 264 H HA -0.258 4.298 4.556 -0.001 0.000 0.299 264 H C 2.398 177.764 175.328 0.064 0.000 1.092 264 H CA 2.238 58.322 56.048 0.061 0.000 1.302 264 H CB -0.557 29.228 29.762 0.038 0.000 1.373 264 H HN 0.470 nan 8.280 nan 0.000 0.497 265 c N 0.127 118.649 118.600 -0.131 0.000 2.432 265 c HA -0.089 4.481 4.570 -0.001 0.000 0.277 265 c C 2.823 176.859 174.090 -0.091 0.000 1.249 265 c CA 1.116 57.344 56.329 -0.169 0.000 1.725 265 c CB -1.485 41.005 42.510 -0.033 0.000 2.028 265 c HN 0.685 nan 8.230 nan 0.000 0.477 266 L N 0.223 121.449 121.223 0.005 0.000 2.191 266 L HA -0.107 4.232 4.340 -0.001 0.000 0.212 266 L C 2.917 179.879 176.870 0.154 0.000 1.103 266 L CA 1.461 56.359 54.840 0.096 0.000 0.769 266 L CB -0.651 41.475 42.059 0.111 0.000 0.908 266 L HN 0.382 nan 8.230 nan 0.000 0.438 267 R N -0.760 119.806 120.500 0.110 0.000 2.236 267 R HA -0.072 4.268 4.340 -0.001 0.000 0.208 267 R C 2.003 178.277 176.300 -0.044 0.000 1.036 267 R CA 0.635 56.749 56.100 0.023 0.000 1.001 267 R CB 0.087 30.413 30.300 0.044 0.000 0.896 267 R HN 0.216 nan 8.270 nan 0.000 0.464 268 E N 0.370 120.511 120.200 -0.099 0.000 2.442 268 E HA 0.041 4.391 4.350 -0.001 0.000 0.195 268 E C 0.123 176.701 176.600 -0.036 0.000 1.030 268 E CA 0.414 56.758 56.400 -0.095 0.000 0.869 268 E CB 0.198 29.790 29.700 -0.180 0.000 0.857 268 E HN 0.176 nan 8.360 nan 0.000 0.505 269 K N 1.409 121.801 120.400 -0.013 0.000 2.237 269 K HA 0.282 4.602 4.320 -0.001 0.000 0.270 269 K C 0.241 176.867 176.600 0.045 0.000 1.015 269 K CA -0.114 56.184 56.287 0.019 0.000 0.949 269 K CB 0.725 33.243 32.500 0.030 0.000 0.976 269 K HN 0.129 nan 8.250 nan 0.000 0.472 270 K N 2.346 122.779 120.400 0.055 0.000 2.219 270 K HA 0.036 4.355 4.320 -0.001 0.000 0.258 270 K C -1.566 175.114 176.600 0.134 0.000 1.008 270 K CA -1.483 54.847 56.287 0.072 0.000 0.928 270 K CB 0.129 32.664 32.500 0.057 0.000 0.983 270 K HN 0.177 nan 8.250 nan 0.000 0.484 271 P HA -0.232 nan 4.420 nan 0.000 0.215 271 P C 1.108 178.601 177.300 0.321 0.000 1.157 271 P CA 1.264 64.567 63.100 0.338 0.000 0.874 271 P CB 0.245 32.006 31.700 0.103 0.000 0.790 272 Q N 0.137 120.048 119.800 0.184 0.000 2.291 272 Q HA -0.182 4.158 4.340 -0.001 0.000 0.206 272 Q C 1.835 177.932 176.000 0.162 0.000 0.976 272 Q CA 1.599 57.504 55.803 0.169 0.000 0.875 272 Q CB -0.811 27.993 28.738 0.111 0.000 0.927 272 Q HN 0.357 nan 8.270 nan 0.000 0.450 273 E N -0.931 119.351 120.200 0.136 0.000 2.106 273 E HA -0.152 4.198 4.350 -0.001 0.000 0.192 273 E C 1.521 178.185 176.600 0.108 0.000 0.984 273 E CA 0.841 57.305 56.400 0.107 0.000 0.806 273 E CB 0.031 29.778 29.700 0.078 0.000 0.750 273 E HN 0.243 nan 8.360 nan 0.000 0.458 274 L N 0.571 121.859 121.223 0.108 0.000 2.072 274 L HA -0.104 4.235 4.340 -0.001 0.000 0.205 274 L C 2.184 179.120 176.870 0.110 0.000 1.079 274 L CA 1.331 56.196 54.840 0.042 0.000 0.752 274 L CB -0.390 41.592 42.059 -0.128 0.000 0.906 274 L HN 0.138 nan 8.230 nan 0.000 0.436 275 I N -0.497 120.199 120.570 0.210 0.000 2.286 275 I HA -0.278 3.891 4.170 -0.001 0.000 0.248 275 I C 1.876 178.173 176.117 0.300 0.000 1.115 275 I CA 1.005 62.481 61.300 0.293 0.000 1.392 275 I CB -0.397 37.820 38.000 0.362 0.000 1.065 275 I HN 0.243 nan 8.210 nan 0.000 0.418 276 D N 0.411 120.955 120.400 0.241 0.000 2.218 276 D HA -0.122 4.517 4.640 -0.001 0.000 0.204 276 D C 1.922 178.353 176.300 0.218 0.000 0.976 276 D CA 1.474 55.612 54.000 0.230 0.000 0.853 276 D CB 0.055 40.952 40.800 0.163 0.000 0.939 276 D HN 0.389 nan 8.370 nan 0.000 0.481 277 V N -2.629 117.393 119.914 0.179 0.000 3.528 277 V HA 0.204 4.324 4.120 -0.001 0.000 0.294 277 V C 1.772 177.955 176.094 0.148 0.000 1.404 277 V CA -0.032 62.361 62.300 0.153 0.000 1.065 277 V CB 0.349 32.238 31.823 0.109 0.000 0.904 277 V HN -0.065 nan 8.190 nan 0.000 0.435 278 E N 0.938 121.224 120.200 0.143 0.000 2.086 278 E HA -0.286 4.064 4.350 -0.001 0.000 0.200 278 E C 1.552 178.072 176.600 -0.133 0.000 1.012 278 E CA 2.787 59.220 56.400 0.056 0.000 0.812 278 E CB -0.231 29.430 29.700 -0.065 0.000 0.743 278 E HN 0.819 nan 8.360 nan 0.000 0.453 279 W N 0.733 122.028 121.300 -0.007 0.000 2.699 279 W HA 0.014 4.674 4.660 -0.001 0.000 0.249 279 W C 1.613 178.093 176.519 -0.065 0.000 1.280 279 W CA 0.050 57.343 57.345 -0.087 0.000 1.345 279 W CB -0.002 29.369 29.460 -0.148 0.000 1.128 279 W HN 0.099 nan 8.180 nan 0.000 0.642 280 N N 0.148 118.933 118.700 0.143 0.000 2.515 280 N HA -0.086 4.653 4.740 -0.001 0.000 0.185 280 N C 1.713 177.234 175.510 0.017 0.000 1.109 280 N CA 1.314 54.413 53.050 0.083 0.000 0.903 280 N CB -0.437 38.098 38.487 0.079 0.000 0.969 280 N HN 0.263 nan 8.380 nan 0.000 0.450 281 V N -2.163 117.729 119.914 -0.037 0.000 3.608 281 V HA 0.229 4.348 4.120 -0.001 0.000 0.269 281 V C 0.839 176.839 176.094 -0.157 0.000 1.245 281 V CA -0.071 62.170 62.300 -0.100 0.000 1.138 281 V CB -0.624 31.117 31.823 -0.137 0.000 0.841 281 V HN -0.011 nan 8.190 nan 0.000 0.451 282 L N 2.379 123.524 121.223 -0.130 0.000 2.514 282 L HA 0.170 4.509 4.340 -0.001 0.000 0.280 282 L C -0.242 176.515 176.870 -0.188 0.000 1.223 282 L CA -0.742 54.012 54.840 -0.143 0.000 0.864 282 L CB 0.547 42.584 42.059 -0.037 0.000 1.118 282 L HN 0.173 nan 8.230 nan 0.000 0.494 283 P HA -0.045 nan 4.420 nan 0.000 0.220 283 P C -0.172 176.744 177.300 -0.639 0.000 1.152 283 P CA 1.129 63.867 63.100 -0.603 0.000 0.812 283 P CB 0.314 31.441 31.700 -0.955 0.000 0.792 284 F N -0.341 119.608 119.950 -0.001 0.000 2.593 284 F HA 0.392 4.919 4.527 -0.001 0.000 0.320 284 F C 0.411 176.217 175.800 0.010 0.000 1.060 284 F CA -1.831 56.173 58.000 0.008 0.000 0.940 284 F CB 0.193 39.203 39.000 0.018 0.000 1.268 284 F HN -0.336 nan 8.300 nan 0.000 0.475 285 D N 1.344 121.880 120.400 0.226 0.000 2.358 285 D HA 0.421 5.060 4.640 -0.001 0.000 0.258 285 D C -0.614 175.757 176.300 0.118 0.000 1.223 285 D CA 0.491 54.563 54.000 0.119 0.000 0.886 285 D CB 0.404 41.253 40.800 0.082 0.000 1.120 285 D HN 0.640 nan 8.370 nan 0.000 0.482 286 S N 2.632 118.386 115.700 0.091 0.000 2.636 286 S HA 0.655 5.124 4.470 -0.001 0.000 0.268 286 S C -0.450 174.177 174.600 0.045 0.000 1.159 286 S CA -1.045 57.201 58.200 0.077 0.000 0.815 286 S CB 0.486 63.762 63.200 0.126 0.000 1.130 286 S HN 0.510 nan 8.310 nan 0.000 0.471 287 I N -2.826 117.771 120.570 0.044 0.000 2.892 287 I HA 0.823 4.993 4.170 -0.001 0.000 0.306 287 I C -0.366 175.788 176.117 0.061 0.000 1.078 287 I CA -1.068 60.261 61.300 0.049 0.000 1.032 287 I CB 1.395 39.433 38.000 0.063 0.000 1.229 287 I HN 0.798 nan 8.210 nan 0.000 0.435 288 F N 2.202 122.040 119.950 -0.186 0.000 3.071 288 F HA -0.169 4.357 4.527 -0.001 0.000 0.295 288 F C -0.489 174.838 175.800 -0.789 0.000 0.919 288 F CA 0.543 58.199 58.000 -0.573 0.000 1.050 288 F CB -0.647 37.937 39.000 -0.694 0.000 1.040 288 F HN 0.634 nan 8.300 nan 0.000 0.692 289 R N 0.542 120.675 120.500 -0.612 0.000 2.621 289 R HA 0.624 4.964 4.340 -0.001 0.000 0.284 289 R C -0.981 174.940 176.300 -0.631 0.000 0.998 289 R CA -0.543 55.236 56.100 -0.533 0.000 0.895 289 R CB 1.352 31.585 30.300 -0.113 0.000 1.195 289 R HN -0.014 nan 8.270 nan 0.000 0.450 290 F N -0.701 119.349 119.950 0.166 0.000 2.546 290 F HA 0.399 4.926 4.527 -0.001 0.000 0.320 290 F C 1.598 177.284 175.800 -0.190 0.000 1.076 290 F CA -0.857 57.135 58.000 -0.013 0.000 0.928 290 F CB 1.632 40.731 39.000 0.165 0.000 1.189 290 F HN 0.347 nan 8.300 nan 0.000 0.465 291 S N 0.553 116.068 115.700 -0.309 0.000 2.344 291 S HA -0.044 4.425 4.470 -0.001 0.000 0.217 291 S C 0.111 174.249 174.600 -0.771 0.000 1.033 291 S CA 1.210 59.020 58.200 -0.649 0.000 1.017 291 S CB -0.263 62.350 63.200 -0.977 0.000 0.941 291 S HN 0.341 nan 8.310 nan 0.000 0.430 292 F N 1.927 121.884 119.950 0.012 0.000 2.332 292 F HA 0.547 5.074 4.527 -0.001 0.000 0.368 292 F C 0.104 175.930 175.800 0.043 0.000 1.110 292 F CA -1.003 57.043 58.000 0.077 0.000 1.087 292 F CB 0.869 39.953 39.000 0.140 0.000 1.235 292 F HN -0.056 nan 8.300 nan 0.000 0.470 293 V N 0.963 120.873 119.914 -0.006 0.000 3.158 293 V HA 0.761 4.881 4.120 -0.001 0.000 0.311 293 V C -2.876 172.961 176.094 -0.429 0.000 1.181 293 V CA -3.355 58.666 62.300 -0.465 0.000 1.054 293 V CB 1.988 33.690 31.823 -0.201 0.000 1.085 293 V HN 0.268 nan 8.190 nan 0.000 0.446 294 P HA 0.178 nan 4.420 nan 0.000 0.267 294 P C -0.840 176.385 177.300 -0.124 0.000 1.201 294 P CA 0.368 63.306 63.100 -0.271 0.000 0.775 294 P CB 0.597 32.056 31.700 -0.402 0.000 0.854 295 V N 4.466 124.398 119.914 0.029 0.000 2.604 295 V HA 0.328 4.447 4.120 -0.001 0.000 0.305 295 V C -0.417 175.718 176.094 0.067 0.000 1.043 295 V CA -0.976 61.324 62.300 -0.000 0.000 0.888 295 V CB 1.336 33.173 31.823 0.024 0.000 0.995 295 V HN 0.232 nan 8.190 nan 0.000 0.429 296 I N 7.068 127.605 120.570 -0.055 0.000 2.349 296 I HA 0.198 4.368 4.170 -0.001 0.000 0.302 296 I C 0.980 177.095 176.117 -0.003 0.000 1.180 296 I CA 0.220 61.513 61.300 -0.012 0.000 1.405 296 I CB -0.164 37.759 38.000 -0.128 0.000 1.474 296 I HN 0.822 nan 8.210 nan 0.000 0.632 297 D N 3.166 123.623 120.400 0.096 0.000 2.350 297 D HA 0.051 4.691 4.640 -0.001 0.000 0.213 297 D C 1.424 177.732 176.300 0.014 0.000 1.031 297 D CA 0.732 54.694 54.000 -0.064 0.000 0.861 297 D CB 0.447 41.292 40.800 0.075 0.000 0.926 297 D HN 0.630 nan 8.370 nan 0.000 0.520 298 G N -0.521 108.342 108.800 0.104 0.000 2.179 298 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.260 298 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.260 298 G C 0.914 175.883 174.900 0.114 0.000 0.977 298 G CA 0.686 45.849 45.100 0.105 0.000 0.641 298 G HN 0.400 nan 8.290 nan 0.000 0.533 299 E N -1.201 119.079 120.200 0.133 0.000 2.357 299 E HA 0.413 4.763 4.350 -0.001 0.000 0.190 299 E C 1.732 178.355 176.600 0.038 0.000 1.022 299 E CA 0.365 56.821 56.400 0.093 0.000 1.068 299 E CB -0.706 29.068 29.700 0.123 0.000 1.465 299 E HN 0.474 nan 8.360 nan 0.000 0.503 300 F N 0.669 120.551 119.950 -0.113 0.000 2.161 300 F HA 0.085 4.612 4.527 -0.001 0.000 0.300 300 F C 0.266 175.767 175.800 -0.500 0.000 1.089 300 F CA 1.097 58.893 58.000 -0.340 0.000 1.282 300 F CB 0.143 38.852 39.000 -0.485 0.000 1.010 300 F HN 0.053 nan 8.300 nan 0.000 0.485 301 F N 0.711 120.802 119.950 0.235 0.000 2.382 301 F HA 0.359 4.886 4.527 -0.001 0.000 0.361 301 F C -1.628 174.210 175.800 0.063 0.000 1.109 301 F CA -2.872 55.209 58.000 0.135 0.000 1.031 301 F CB 0.667 39.745 39.000 0.131 0.000 1.234 301 F HN -0.245 nan 8.300 nan 0.000 0.445 302 P HA -0.118 nan 4.420 nan 0.000 0.215 302 P C 0.471 177.830 177.300 0.100 0.000 1.157 302 P CA 1.822 64.980 63.100 0.095 0.000 0.874 302 P CB 0.173 31.905 31.700 0.054 0.000 0.790 303 T N -6.217 108.405 114.554 0.113 0.000 2.669 303 T HA 0.479 4.829 4.350 -0.001 0.000 0.283 303 T C -0.230 174.512 174.700 0.070 0.000 1.019 303 T CA -0.677 61.468 62.100 0.075 0.000 1.039 303 T CB 0.733 69.631 68.868 0.051 0.000 1.374 303 T HN -0.003 nan 8.240 nan 0.000 0.523 304 S N 0.068 115.784 115.700 0.027 0.000 2.566 304 S HA 0.150 4.620 4.470 -0.001 0.000 0.280 304 S C 1.495 176.098 174.600 0.005 0.000 1.343 304 S CA -0.695 57.498 58.200 -0.011 0.000 1.036 304 S CB -0.376 62.814 63.200 -0.016 0.000 0.866 304 S HN 0.654 nan 8.310 nan 0.000 0.526 305 L N 0.490 121.682 121.223 -0.053 0.000 2.046 305 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 305 L C 2.924 179.831 176.870 0.062 0.000 1.077 305 L CA 1.893 56.723 54.840 -0.016 0.000 0.747 305 L CB -0.768 41.220 42.059 -0.117 0.000 0.896 305 L HN 0.795 nan 8.230 nan 0.000 0.432 306 E N 0.701 120.931 120.200 0.050 0.000 2.077 306 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 306 E C 2.266 178.930 176.600 0.107 0.000 0.989 306 E CA 1.727 58.190 56.400 0.104 0.000 0.800 306 E CB -0.087 29.661 29.700 0.079 0.000 0.746 306 E HN 0.479 nan 8.360 nan 0.000 0.452 307 S N -0.593 115.152 115.700 0.074 0.000 2.402 307 S HA -0.130 4.340 4.470 -0.001 0.000 0.229 307 S C 2.113 176.760 174.600 0.077 0.000 1.021 307 S CA 1.148 59.389 58.200 0.067 0.000 0.974 307 S CB -0.321 62.904 63.200 0.043 0.000 0.800 307 S HN 0.237 nan 8.310 nan 0.000 0.484 308 M N 0.964 120.626 119.600 0.104 0.000 2.099 308 M HA 0.072 4.551 4.480 -0.001 0.000 0.262 308 M C 2.212 178.654 176.300 0.236 0.000 1.067 308 M CA 1.355 56.740 55.300 0.142 0.000 1.124 308 M CB -0.610 32.105 32.600 0.193 0.000 1.353 308 M HN 0.299 nan 8.290 nan 0.000 0.410 309 L N -0.053 121.325 121.223 0.259 0.000 2.046 309 L HA -0.235 4.105 4.340 -0.001 0.000 0.208 309 L C 2.228 179.280 176.870 0.304 0.000 1.077 309 L CA 0.950 55.986 54.840 0.326 0.000 0.747 309 L CB -0.817 41.343 42.059 0.168 0.000 0.896 309 L HN 0.386 nan 8.230 nan 0.000 0.432 310 N N -0.239 118.573 118.700 0.187 0.000 2.188 310 N HA -0.124 4.616 4.740 -0.001 0.000 0.184 310 N C 1.936 177.524 175.510 0.130 0.000 1.018 310 N CA 1.700 54.854 53.050 0.172 0.000 0.858 310 N CB -0.053 38.510 38.487 0.128 0.000 0.989 310 N HN 0.343 nan 8.380 nan 0.000 0.426 311 S N -0.908 114.791 115.700 -0.003 0.000 2.593 311 S HA 0.216 4.685 4.470 -0.001 0.000 0.217 311 S C 1.341 175.595 174.600 -0.576 0.000 0.966 311 S CA 0.477 58.593 58.200 -0.140 0.000 0.914 311 S CB 0.185 63.322 63.200 -0.105 0.000 0.776 311 S HN 0.378 nan 8.310 nan 0.000 0.523 312 G N 1.953 110.214 108.800 -0.898 0.000 2.160 312 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.251 312 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.251 312 G C -0.025 173.954 174.900 -1.535 0.000 1.008 312 G CA 0.067 43.893 45.100 -2.123 0.000 0.724 312 G HN 0.600 nan 8.290 nan 0.000 0.514 313 N N 0.644 118.910 118.700 -0.723 0.000 2.895 313 N HA 0.513 5.253 4.740 -0.001 0.000 0.277 313 N C -0.141 175.303 175.510 -0.110 0.000 1.185 313 N CA -0.115 52.715 53.050 -0.366 0.000 1.106 313 N CB -0.876 37.535 38.487 -0.126 0.000 1.422 313 N HN 0.713 nan 8.380 nan 0.000 0.521 314 F N -1.130 118.764 119.950 -0.093 0.000 2.807 314 F HA 0.389 4.916 4.527 -0.000 0.000 0.316 314 F C -0.345 175.478 175.800 0.037 0.000 1.162 314 F CA -1.437 56.582 58.000 0.031 0.000 0.910 314 F CB 0.592 39.681 39.000 0.148 0.000 1.314 314 F HN -0.146 nan 8.300 nan 0.000 0.454 315 K N 1.931 122.583 120.400 0.420 0.000 2.447 315 K HA 0.175 4.495 4.320 -0.001 0.000 0.281 315 K C -0.977 175.872 176.600 0.415 0.000 1.031 315 K CA -0.111 56.340 56.287 0.273 0.000 1.019 315 K CB 0.458 33.071 32.500 0.188 0.000 0.918 315 K HN 0.735 nan 8.250 nan 0.000 0.476 316 K N 3.334 123.856 120.400 0.202 0.000 2.281 316 K HA 0.167 4.486 4.320 -0.001 0.000 0.272 316 K C -0.207 176.512 176.600 0.199 0.000 1.048 316 K CA -0.407 55.998 56.287 0.197 0.000 0.898 316 K CB 1.783 34.305 32.500 0.038 0.000 1.128 316 K HN 0.658 nan 8.250 nan 0.000 0.460 317 T N 1.382 116.135 114.554 0.332 0.000 2.627 317 T HA 0.194 4.544 4.350 -0.001 0.000 0.294 317 T C -1.479 173.421 174.700 0.334 0.000 1.230 317 T CA -0.576 61.672 62.100 0.247 0.000 1.084 317 T CB 0.884 69.868 68.868 0.193 0.000 1.693 317 T HN 0.423 nan 8.240 nan 0.000 0.465 318 Q N 0.970 120.938 119.800 0.279 0.000 2.235 318 Q HA 0.772 5.111 4.340 -0.001 0.000 0.256 318 Q C -0.397 175.899 176.000 0.494 0.000 0.951 318 Q CA -0.521 55.506 55.803 0.373 0.000 0.890 318 Q CB 1.522 30.455 28.738 0.325 0.000 1.279 318 Q HN 0.693 nan 8.270 nan 0.000 0.444 319 I N -1.485 119.325 120.570 0.399 0.000 2.865 319 I HA 0.723 4.893 4.170 -0.001 0.000 0.302 319 I C -1.523 174.472 176.117 -0.202 0.000 1.140 319 I CA -1.404 59.987 61.300 0.152 0.000 1.021 319 I CB 1.957 39.886 38.000 -0.119 0.000 1.233 319 I HN 0.555 nan 8.210 nan 0.000 0.427 320 L N 6.568 127.465 121.223 -0.544 0.000 2.409 320 L HA 0.786 5.126 4.340 -0.001 0.000 0.272 320 L C -1.423 175.243 176.870 -0.340 0.000 0.980 320 L CA -0.484 53.924 54.840 -0.720 0.000 0.826 320 L CB 1.693 42.796 42.059 -1.593 0.000 1.268 320 L HN 0.855 nan 8.230 nan 0.000 0.407 321 L N 2.362 123.507 121.223 -0.131 0.000 2.600 321 L HA 1.114 5.454 4.340 -0.001 0.000 0.257 321 L C -0.778 175.885 176.870 -0.344 0.000 1.048 321 L CA -0.420 54.371 54.840 -0.081 0.000 0.869 321 L CB 1.904 43.908 42.059 -0.092 0.000 1.482 321 L HN 0.671 nan 8.230 nan 0.000 0.408 322 G N -0.182 108.222 108.800 -0.660 0.000 2.430 322 G HA2 0.591 4.550 3.960 -0.001 0.000 0.300 322 G HA3 0.591 4.550 3.960 -0.001 0.000 0.300 322 G C -1.534 173.040 174.900 -0.542 0.000 1.330 322 G CA 0.010 44.388 45.100 -1.203 0.000 0.813 322 G HN 1.502 nan 8.290 nan 0.000 0.487 323 V N -2.564 117.194 119.914 -0.260 0.000 3.160 323 V HA 0.876 4.996 4.120 -0.001 0.000 0.310 323 V C -1.046 175.149 176.094 0.168 0.000 1.181 323 V CA -1.402 60.948 62.300 0.083 0.000 1.047 323 V CB 1.900 33.795 31.823 0.120 0.000 1.068 323 V HN 0.687 nan 8.190 nan 0.000 0.441 324 N N 0.724 119.526 118.700 0.171 0.000 2.472 324 N HA 0.445 5.184 4.740 -0.001 0.000 0.289 324 N C 0.544 176.008 175.510 -0.076 0.000 1.156 324 N CA -0.509 52.608 53.050 0.113 0.000 0.940 324 N CB 1.793 40.445 38.487 0.276 0.000 1.200 324 N HN 0.925 nan 8.380 nan 0.000 0.511 325 K N 0.071 120.322 120.400 -0.248 0.000 2.063 325 K HA -0.073 4.247 4.320 -0.001 0.000 0.208 325 K C -0.602 176.085 176.600 0.144 0.000 1.048 325 K CA 1.326 57.556 56.287 -0.095 0.000 0.928 325 K CB 0.188 32.648 32.500 -0.067 0.000 0.713 325 K HN 0.520 nan 8.250 nan 0.000 0.442 326 D N 1.136 121.617 120.400 0.135 0.000 2.795 326 D HA 0.033 4.673 4.640 -0.001 0.000 0.335 326 D C 0.167 176.584 176.300 0.195 0.000 1.262 326 D CA -0.081 54.020 54.000 0.169 0.000 0.885 326 D CB 1.210 42.092 40.800 0.136 0.000 1.047 326 D HN 0.179 nan 8.370 nan 0.000 0.500 327 E N 0.579 120.915 120.200 0.227 0.000 2.118 327 E HA -0.135 4.214 4.350 -0.001 0.000 0.195 327 E C 2.002 178.784 176.600 0.302 0.000 0.992 327 E CA 0.781 57.352 56.400 0.285 0.000 0.804 327 E CB 0.068 29.921 29.700 0.255 0.000 0.741 327 E HN 0.428 nan 8.360 nan 0.000 0.458 328 G N 1.286 110.236 108.800 0.250 0.000 2.511 328 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.217 328 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.217 328 G C 1.743 176.811 174.900 0.280 0.000 1.133 328 G CA 0.956 46.224 45.100 0.279 0.000 0.792 328 G HN 0.378 nan 8.290 nan 0.000 0.539 329 S N 0.834 116.664 115.700 0.216 0.000 2.372 329 S HA -0.257 4.212 4.470 -0.001 0.000 0.227 329 S C 2.108 176.737 174.600 0.048 0.000 1.044 329 S CA 1.495 59.795 58.200 0.168 0.000 1.050 329 S CB -0.743 62.482 63.200 0.041 0.000 0.901 329 S HN 0.340 nan 8.310 nan 0.000 0.447 330 F N 1.997 121.821 119.950 -0.210 0.000 2.120 330 F HA -0.072 4.455 4.527 -0.001 0.000 0.300 330 F C 1.724 177.263 175.800 -0.436 0.000 1.095 330 F CA 1.635 59.355 58.000 -0.467 0.000 1.249 330 F CB -0.379 38.160 39.000 -0.769 0.000 0.995 330 F HN 0.190 nan 8.300 nan 0.000 0.480 331 F N -0.193 119.688 119.950 -0.116 0.000 2.407 331 F HA -0.041 4.486 4.527 -0.001 0.000 0.299 331 F C 1.996 177.679 175.800 -0.194 0.000 1.097 331 F CA 0.676 58.554 58.000 -0.202 0.000 1.422 331 F CB -0.817 38.056 39.000 -0.210 0.000 1.067 331 F HN -0.052 nan 8.300 nan 0.000 0.539 332 L N -0.782 120.377 121.223 -0.107 0.000 2.095 332 L HA -0.137 4.203 4.340 -0.001 0.000 0.204 332 L C 2.417 179.056 176.870 -0.385 0.000 1.080 332 L CA 0.470 55.025 54.840 -0.475 0.000 0.759 332 L CB -0.543 40.881 42.059 -1.058 0.000 0.914 332 L HN 0.159 nan 8.230 nan 0.000 0.439 333 L N -0.938 120.234 121.223 -0.086 0.000 2.012 333 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 333 L C 2.277 179.163 176.870 0.026 0.000 1.073 333 L CA 2.004 56.944 54.840 0.166 0.000 0.748 333 L CB -0.696 41.501 42.059 0.230 0.000 0.891 333 L HN 0.115 nan 8.230 nan 0.000 0.431 334 Y N -0.589 119.558 120.300 -0.256 0.000 2.509 334 Y HA 0.157 4.707 4.550 -0.001 0.000 0.293 334 Y C 2.179 177.967 175.900 -0.186 0.000 1.133 334 Y CA 0.996 58.940 58.100 -0.260 0.000 1.283 334 Y CB -0.089 38.104 38.460 -0.445 0.000 1.001 334 Y HN 0.333 nan 8.280 nan 0.000 0.555 335 G N -2.012 106.778 108.800 -0.017 0.000 3.738 335 G HA2 0.417 4.377 3.960 -0.001 0.000 0.241 335 G HA3 0.417 4.377 3.960 -0.001 0.000 0.241 335 G C -0.195 174.703 174.900 -0.004 0.000 1.068 335 G CA 0.312 45.394 45.100 -0.029 0.000 0.899 335 G HN 0.254 nan 8.290 nan 0.000 0.519 336 A N 1.974 124.799 122.820 0.008 0.000 2.292 336 A HA 0.778 5.098 4.320 -0.001 0.000 0.319 336 A C -2.368 175.365 177.584 0.249 0.000 1.206 336 A CA -1.552 50.542 52.037 0.096 0.000 0.835 336 A CB 0.942 19.952 19.000 0.016 0.000 1.164 336 A HN 0.067 nan 8.150 nan 0.000 0.505 337 P HA 0.185 nan 4.420 nan 0.000 0.265 337 P C 0.887 178.247 177.300 0.100 0.000 1.193 337 P CA 1.598 64.764 63.100 0.111 0.000 0.765 337 P CB 0.979 32.713 31.700 0.056 0.000 0.823 338 G N 2.019 110.820 108.800 0.002 0.000 2.254 338 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.225 338 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.225 338 G C -0.219 174.484 174.900 -0.327 0.000 1.003 338 G CA -0.491 44.497 45.100 -0.187 0.000 0.622 338 G HN 0.433 nan 8.290 nan 0.000 0.507 339 F N 2.142 122.021 119.950 -0.118 0.000 2.394 339 F HA 0.730 5.256 4.527 -0.001 0.000 0.340 339 F C 0.708 176.488 175.800 -0.033 0.000 1.105 339 F CA -0.260 57.640 58.000 -0.166 0.000 1.124 339 F CB 2.122 41.064 39.000 -0.098 0.000 1.145 339 F HN 0.047 nan 8.300 nan 0.000 0.505 340 S N 1.493 117.295 115.700 0.170 0.000 2.541 340 S HA 0.262 4.731 4.470 -0.001 0.000 0.271 340 S C 0.538 175.352 174.600 0.355 0.000 1.133 340 S CA -1.139 57.184 58.200 0.206 0.000 0.876 340 S CB 2.240 65.490 63.200 0.082 0.000 1.105 340 S HN 0.712 nan 8.310 nan 0.000 0.470 341 K N 0.660 121.222 120.400 0.270 0.000 2.148 341 K HA -0.059 4.261 4.320 -0.001 0.000 0.204 341 K C -0.087 176.585 176.600 0.119 0.000 1.050 341 K CA 1.361 57.742 56.287 0.157 0.000 0.942 341 K CB 0.031 32.330 32.500 -0.336 0.000 0.724 341 K HN 0.466 nan 8.250 nan 0.000 0.446 342 D N 0.450 120.891 120.400 0.069 0.000 2.342 342 D HA 0.012 4.652 4.640 -0.001 0.000 0.221 342 D C 0.114 176.461 176.300 0.079 0.000 1.101 342 D CA 0.138 54.163 54.000 0.040 0.000 0.837 342 D CB 0.721 41.509 40.800 -0.019 0.000 0.938 342 D HN 0.194 nan 8.370 nan 0.000 0.508 343 S N -1.473 114.300 115.700 0.122 0.000 2.715 343 S HA 0.299 4.769 4.470 -0.001 0.000 0.307 343 S C 0.866 175.508 174.600 0.069 0.000 1.119 343 S CA -0.557 57.675 58.200 0.053 0.000 0.937 343 S CB 2.334 65.518 63.200 -0.026 0.000 1.150 343 S HN -0.206 nan 8.310 nan 0.000 0.521 344 E N 0.364 120.550 120.200 -0.023 0.000 2.482 344 E HA 0.163 4.512 4.350 -0.001 0.000 0.196 344 E C 0.233 176.582 176.600 -0.418 0.000 1.047 344 E CA 0.604 56.970 56.400 -0.057 0.000 0.869 344 E CB -0.611 29.075 29.700 -0.025 0.000 0.836 344 E HN 0.817 nan 8.360 nan 0.000 0.520 345 S N 0.361 115.765 115.700 -0.494 0.000 3.631 345 S HA -0.212 4.258 4.470 -0.001 0.000 0.366 345 S C 0.030 174.235 174.600 -0.658 0.000 0.993 345 S CA 0.595 58.348 58.200 -0.745 0.000 1.167 345 S CB -1.366 60.999 63.200 -1.392 0.000 0.909 345 S HN 0.453 nan 8.310 nan 0.000 0.478 346 K N 0.888 121.052 120.400 -0.394 0.000 2.368 346 K HA 0.265 4.585 4.320 -0.001 0.000 0.282 346 K C 0.356 176.755 176.600 -0.335 0.000 1.035 346 K CA -0.077 56.032 56.287 -0.295 0.000 0.973 346 K CB 0.387 32.779 32.500 -0.180 0.000 0.957 346 K HN 0.211 nan 8.250 nan 0.000 0.474 347 I N 2.566 122.949 120.570 -0.312 0.000 2.359 347 I HA 0.060 4.230 4.170 -0.001 0.000 0.294 347 I C 1.002 177.038 176.117 -0.135 0.000 0.987 347 I CA -0.339 60.799 61.300 -0.270 0.000 1.225 347 I CB 1.240 39.084 38.000 -0.261 0.000 1.366 347 I HN 0.682 nan 8.210 nan 0.000 0.466 348 S N 5.895 121.534 115.700 -0.101 0.000 2.608 348 S HA 0.225 4.695 4.470 -0.001 0.000 0.261 348 S C 1.136 175.731 174.600 -0.008 0.000 1.314 348 S CA -0.331 57.834 58.200 -0.058 0.000 0.992 348 S CB 1.369 64.543 63.200 -0.044 0.000 0.935 348 S HN 0.604 nan 8.310 nan 0.000 0.564 349 R N 0.721 121.213 120.500 -0.014 0.000 2.120 349 R HA -0.059 4.281 4.340 -0.001 0.000 0.234 349 R C 2.225 178.591 176.300 0.109 0.000 1.123 349 R CA 2.106 58.215 56.100 0.015 0.000 0.975 349 R CB -0.822 29.474 30.300 -0.007 0.000 0.866 349 R HN 0.942 nan 8.270 nan 0.000 0.446 350 E N -0.413 119.830 120.200 0.071 0.000 2.072 350 E HA -0.147 4.202 4.350 -0.001 0.000 0.190 350 E C 0.964 177.613 176.600 0.083 0.000 0.982 350 E CA 1.351 57.796 56.400 0.075 0.000 0.803 350 E CB -0.032 29.692 29.700 0.041 0.000 0.755 350 E HN 0.274 nan 8.360 nan 0.000 0.453 351 D N -0.062 120.377 120.400 0.065 0.000 2.219 351 D HA -0.139 4.500 4.640 -0.001 0.000 0.205 351 D C 1.535 177.899 176.300 0.107 0.000 0.970 351 D CA 0.528 54.562 54.000 0.057 0.000 0.851 351 D CB -0.234 40.565 40.800 -0.002 0.000 0.943 351 D HN 0.213 nan 8.370 nan 0.000 0.488 352 F N 1.231 121.180 119.950 -0.003 0.000 2.102 352 F HA -0.173 4.353 4.527 -0.001 0.000 0.298 352 F C 2.310 178.133 175.800 0.038 0.000 1.105 352 F CA 1.365 59.378 58.000 0.020 0.000 1.239 352 F CB -0.212 38.779 39.000 -0.015 0.000 0.991 352 F HN -0.154 nan 8.300 nan 0.000 0.474 353 M N -0.760 118.931 119.600 0.151 0.000 2.159 353 M HA -0.211 4.269 4.480 -0.001 0.000 0.263 353 M C 2.270 178.557 176.300 -0.022 0.000 1.063 353 M CA 1.711 57.047 55.300 0.059 0.000 1.110 353 M CB -0.708 31.966 32.600 0.124 0.000 1.374 353 M HN 0.060 nan 8.290 nan 0.000 0.411 354 S N 0.596 116.299 115.700 0.004 0.000 2.382 354 S HA -0.068 4.402 4.470 -0.001 0.000 0.228 354 S C 2.031 176.613 174.600 -0.031 0.000 1.027 354 S CA 1.355 59.554 58.200 -0.002 0.000 0.991 354 S CB -0.693 62.521 63.200 0.024 0.000 0.823 354 S HN 0.690 nan 8.310 nan 0.000 0.469 355 G N 1.360 110.127 108.800 -0.055 0.000 2.418 355 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.217 355 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.217 355 G C 1.459 176.266 174.900 -0.155 0.000 1.158 355 G CA 1.000 46.054 45.100 -0.078 0.000 0.771 355 G HN 0.416 nan 8.290 nan 0.000 0.545 356 V N 1.029 120.786 119.914 -0.261 0.000 2.332 356 V HA -0.191 3.929 4.120 -0.001 0.000 0.248 356 V C 2.701 178.726 176.094 -0.115 0.000 1.055 356 V CA 2.381 64.550 62.300 -0.219 0.000 1.038 356 V CB -0.411 31.277 31.823 -0.225 0.000 0.651 356 V HN 0.411 nan 8.190 nan 0.000 0.450 357 K N 0.427 120.772 120.400 -0.090 0.000 2.026 357 K HA -0.129 4.190 4.320 -0.001 0.000 0.208 357 K C 1.910 178.472 176.600 -0.063 0.000 1.048 357 K CA 1.741 57.984 56.287 -0.072 0.000 0.929 357 K CB -0.509 31.963 32.500 -0.046 0.000 0.713 357 K HN 0.418 nan 8.250 nan 0.000 0.439 358 L N 0.220 121.418 121.223 -0.042 0.000 2.141 358 L HA -0.110 4.230 4.340 -0.001 0.000 0.209 358 L C 2.136 179.001 176.870 -0.009 0.000 1.094 358 L CA 1.151 55.983 54.840 -0.014 0.000 0.763 358 L CB -0.276 41.781 42.059 -0.003 0.000 0.908 358 L HN 0.158 nan 8.230 nan 0.000 0.437 359 S N -0.954 114.724 115.700 -0.037 0.000 2.414 359 S HA 0.005 4.474 4.470 -0.001 0.000 0.227 359 S C 0.968 175.542 174.600 -0.044 0.000 1.022 359 S CA 0.484 58.667 58.200 -0.028 0.000 0.958 359 S CB 0.290 63.451 63.200 -0.065 0.000 0.797 359 S HN 0.156 nan 8.310 nan 0.000 0.493 360 V N 3.196 123.051 119.914 -0.097 0.000 2.361 360 V HA 0.207 4.326 4.120 -0.001 0.000 0.252 360 V C -1.733 174.228 176.094 -0.221 0.000 0.986 360 V CA -1.370 60.812 62.300 -0.197 0.000 1.033 360 V CB 0.832 32.515 31.823 -0.233 0.000 1.282 360 V HN 0.182 nan 8.190 nan 0.000 0.514 361 P HA -0.210 nan 4.420 nan 0.000 0.217 361 P C 1.160 178.117 177.300 -0.572 0.000 1.148 361 P CA 1.651 64.609 63.100 -0.237 0.000 0.828 361 P CB -0.003 31.689 31.700 -0.014 0.000 0.783 362 H N -0.882 117.924 119.070 -0.439 0.000 2.543 362 H HA 0.471 5.027 4.556 -0.001 0.000 0.269 362 H C 0.378 175.548 175.328 -0.264 0.000 1.005 362 H CA -0.156 55.642 56.048 -0.416 0.000 1.146 362 H CB -0.624 29.057 29.762 -0.135 0.000 1.353 362 H HN 0.005 nan 8.280 nan 0.000 0.595 363 A N 1.976 124.472 122.820 -0.540 0.000 2.303 363 A HA 0.361 4.681 4.320 -0.001 0.000 0.317 363 A C 0.160 177.603 177.584 -0.235 0.000 1.149 363 A CA -0.661 51.145 52.037 -0.385 0.000 0.822 363 A CB 0.724 19.494 19.000 -0.382 0.000 1.131 363 A HN 0.616 nan 8.150 nan 0.000 0.493 364 N N 0.945 119.547 118.700 -0.164 0.000 2.413 364 N HA 0.179 4.918 4.740 -0.001 0.000 0.266 364 N C -0.089 175.371 175.510 -0.084 0.000 1.238 364 N CA -0.383 52.602 53.050 -0.109 0.000 0.972 364 N CB 0.182 38.621 38.487 -0.079 0.000 1.210 364 N HN 0.453 nan 8.380 nan 0.000 0.547 365 D N -0.723 119.645 120.400 -0.053 0.000 2.158 365 D HA -0.154 4.486 4.640 -0.001 0.000 0.197 365 D C 1.627 177.919 176.300 -0.013 0.000 0.995 365 D CA 0.922 54.905 54.000 -0.028 0.000 0.846 365 D CB -0.246 40.546 40.800 -0.015 0.000 0.941 365 D HN 0.481 nan 8.370 nan 0.000 0.456 366 L N 0.470 121.681 121.223 -0.019 0.000 2.083 366 L HA 0.028 4.367 4.340 -0.001 0.000 0.209 366 L C 2.161 179.035 176.870 0.005 0.000 1.083 366 L CA 1.987 56.827 54.840 -0.001 0.000 0.752 366 L CB -0.852 41.200 42.059 -0.013 0.000 0.899 366 L HN 0.069 nan 8.230 nan 0.000 0.433 367 G N -0.469 108.306 108.800 -0.042 0.000 2.418 367 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 367 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 367 G C 1.582 176.478 174.900 -0.007 0.000 1.158 367 G CA 1.026 46.090 45.100 -0.060 0.000 0.771 367 G HN 0.428 nan 8.290 nan 0.000 0.545 368 L N 0.452 121.662 121.223 -0.020 0.000 2.083 368 L HA -0.063 4.276 4.340 -0.001 0.000 0.209 368 L C 2.493 179.407 176.870 0.074 0.000 1.083 368 L CA 1.140 55.984 54.840 0.008 0.000 0.752 368 L CB -0.388 41.662 42.059 -0.015 0.000 0.899 368 L HN 0.097 nan 8.230 nan 0.000 0.433 369 D N 0.283 120.732 120.400 0.081 0.000 2.117 369 D HA -0.144 4.496 4.640 -0.001 0.000 0.197 369 D C 2.251 178.647 176.300 0.160 0.000 0.987 369 D CA 1.480 55.553 54.000 0.122 0.000 0.829 369 D CB -0.036 40.819 40.800 0.091 0.000 0.961 369 D HN 0.298 nan 8.370 nan 0.000 0.460 370 A N 0.683 123.609 122.820 0.177 0.000 1.883 370 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 370 A C 2.553 180.267 177.584 0.216 0.000 1.186 370 A CA 1.440 53.641 52.037 0.274 0.000 0.624 370 A CB -0.802 18.456 19.000 0.430 0.000 0.822 370 A HN 0.147 nan 8.150 nan 0.000 0.444 371 V N -0.386 119.664 119.914 0.226 0.000 2.261 371 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 371 V C 2.743 178.938 176.094 0.168 0.000 1.047 371 V CA 2.517 64.890 62.300 0.123 0.000 1.015 371 V CB -1.417 30.491 31.823 0.142 0.000 0.642 371 V HN 0.599 nan 8.190 nan 0.000 0.446 372 T N 0.649 115.332 114.554 0.215 0.000 2.699 372 T HA -0.232 4.117 4.350 -0.001 0.000 0.268 372 T C 1.894 176.784 174.700 0.317 0.000 1.036 372 T CA 2.088 64.393 62.100 0.342 0.000 1.147 372 T CB -0.396 68.678 68.868 0.343 0.000 0.862 372 T HN 0.328 nan 8.240 nan 0.000 0.446 373 L N 1.109 122.507 121.223 0.292 0.000 2.046 373 L HA -0.052 4.288 4.340 -0.001 0.000 0.208 373 L C 2.483 179.429 176.870 0.127 0.000 1.077 373 L CA 1.842 56.893 54.840 0.352 0.000 0.747 373 L CB -0.770 41.427 42.059 0.231 0.000 0.896 373 L HN 0.096 nan 8.230 nan 0.000 0.432 374 Q N -1.239 118.505 119.800 -0.094 0.000 2.170 374 Q HA -0.189 4.150 4.340 -0.001 0.000 0.203 374 Q C 1.113 176.852 176.000 -0.436 0.000 0.976 374 Q CA 1.881 57.441 55.803 -0.404 0.000 0.858 374 Q CB -0.210 27.944 28.738 -0.974 0.000 0.907 374 Q HN 0.712 nan 8.270 nan 0.000 0.433 375 Y N -1.180 119.067 120.300 -0.090 0.000 2.555 375 Y HA 0.329 4.879 4.550 -0.001 0.000 0.259 375 Y C -0.209 175.632 175.900 -0.098 0.000 1.179 375 Y CA -0.201 57.899 58.100 -0.000 0.000 1.230 375 Y CB 0.917 39.485 38.460 0.179 0.000 1.146 375 Y HN -0.186 nan 8.280 nan 0.000 0.526 376 T N 0.556 114.992 114.554 -0.196 0.000 2.824 376 T HA 0.114 4.464 4.350 -0.001 0.000 0.280 376 T C -0.850 173.439 174.700 -0.684 0.000 0.995 376 T CA -0.660 61.055 62.100 -0.642 0.000 1.009 376 T CB 1.158 69.295 68.868 -1.218 0.000 0.955 376 T HN -0.013 nan 8.240 nan 0.000 0.452 377 D N 1.865 121.925 120.400 -0.566 0.000 2.411 377 D HA 0.132 4.772 4.640 -0.001 0.000 0.225 377 D C 0.027 176.090 176.300 -0.396 0.000 1.156 377 D CA -0.818 52.974 54.000 -0.348 0.000 0.874 377 D CB 0.333 41.007 40.800 -0.209 0.000 1.034 377 D HN 0.600 nan 8.370 nan 0.000 0.502 378 W N 2.997 124.255 121.300 -0.071 0.000 2.961 378 W HA 0.047 4.706 4.660 -0.001 0.000 0.240 378 W C 1.825 178.313 176.519 -0.052 0.000 1.305 378 W CA -0.083 57.224 57.345 -0.062 0.000 1.465 378 W CB -0.067 29.362 29.460 -0.052 0.000 1.135 378 W HN 0.377 nan 8.180 nan 0.000 0.688 379 M N -0.544 119.107 119.600 0.085 0.000 2.495 379 M HA 0.062 4.542 4.480 -0.001 0.000 0.237 379 M C 0.060 176.363 176.300 0.005 0.000 1.131 379 M CA 0.984 56.315 55.300 0.051 0.000 1.032 379 M CB 0.284 32.901 32.600 0.028 0.000 1.513 379 M HN -0.208 nan 8.290 nan 0.000 0.488 380 D N 0.160 120.536 120.400 -0.040 0.000 3.888 380 D HA -0.028 4.612 4.640 -0.001 0.000 0.271 380 D C 0.329 176.543 176.300 -0.142 0.000 1.399 380 D CA 0.100 54.057 54.000 -0.070 0.000 0.775 380 D CB 0.203 40.962 40.800 -0.068 0.000 1.356 380 D HN 0.231 nan 8.370 nan 0.000 0.753 381 D N -0.839 119.468 120.400 -0.155 0.000 2.351 381 D HA -0.123 4.516 4.640 -0.001 0.000 0.216 381 D C 0.409 176.571 176.300 -0.229 0.000 0.968 381 D CA 0.317 54.147 54.000 -0.283 0.000 0.899 381 D CB 0.175 40.825 40.800 -0.249 0.000 0.907 381 D HN 0.139 nan 8.370 nan 0.000 0.514 382 N N 0.668 119.286 118.700 -0.137 0.000 2.273 382 N HA -0.021 4.719 4.740 -0.001 0.000 0.231 382 N C -0.253 175.191 175.510 -0.110 0.000 1.134 382 N CA -0.236 52.747 53.050 -0.112 0.000 0.856 382 N CB 0.130 38.580 38.487 -0.062 0.000 1.068 382 N HN 0.165 nan 8.380 nan 0.000 0.510 383 N N 0.812 119.433 118.700 -0.131 0.000 2.401 383 N HA 0.063 4.803 4.740 -0.001 0.000 0.255 383 N C 1.302 176.741 175.510 -0.118 0.000 1.110 383 N CA 0.020 53.006 53.050 -0.107 0.000 0.949 383 N CB 1.069 39.496 38.487 -0.100 0.000 1.110 383 N HN 0.147 nan 8.380 nan 0.000 0.490 384 G N 4.204 112.943 108.800 -0.103 0.000 2.442 384 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.219 384 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.219 384 G C 1.516 176.350 174.900 -0.110 0.000 1.141 384 G CA 0.597 45.627 45.100 -0.117 0.000 0.763 384 G HN 0.706 nan 8.290 nan 0.000 0.554 385 I N -0.052 120.473 120.570 -0.075 0.000 2.353 385 I HA -0.074 4.095 4.170 -0.001 0.000 0.248 385 I C 2.747 178.857 176.117 -0.012 0.000 1.119 385 I CA 0.973 62.251 61.300 -0.036 0.000 1.417 385 I CB -0.130 37.865 38.000 -0.009 0.000 1.078 385 I HN 0.105 nan 8.210 nan 0.000 0.421 386 K N 0.595 120.970 120.400 -0.043 0.000 2.148 386 K HA -0.107 4.213 4.320 -0.001 0.000 0.204 386 K C 1.833 178.399 176.600 -0.056 0.000 1.050 386 K CA 1.060 57.319 56.287 -0.046 0.000 0.942 386 K CB -0.110 32.329 32.500 -0.101 0.000 0.724 386 K HN 0.273 nan 8.250 nan 0.000 0.446 387 N N 0.806 119.440 118.700 -0.110 0.000 2.171 387 N HA -0.145 4.595 4.740 -0.001 0.000 0.184 387 N C 1.698 177.329 175.510 0.202 0.000 1.021 387 N CA 0.825 53.821 53.050 -0.090 0.000 0.854 387 N CB -0.168 38.233 38.487 -0.143 0.000 0.994 387 N HN 0.160 nan 8.380 nan 0.000 0.426 388 R N 1.366 121.912 120.500 0.077 0.000 2.070 388 R HA -0.108 4.231 4.340 -0.001 0.000 0.233 388 R C 0.652 177.118 176.300 0.278 0.000 1.137 388 R CA 1.524 57.697 56.100 0.121 0.000 0.945 388 R CB -0.285 29.970 30.300 -0.075 0.000 0.845 388 R HN 0.106 nan 8.270 nan 0.000 0.430 389 D N -0.509 120.019 120.400 0.213 0.000 2.178 389 D HA -0.082 4.557 4.640 -0.001 0.000 0.201 389 D C 1.709 178.170 176.300 0.269 0.000 0.980 389 D CA 1.384 55.528 54.000 0.240 0.000 0.842 389 D CB -0.467 40.442 40.800 0.182 0.000 0.948 389 D HN 0.528 nan 8.370 nan 0.000 0.472 390 G N 0.656 109.631 108.800 0.292 0.000 2.402 390 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.216 390 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.216 390 G C 1.764 176.867 174.900 0.338 0.000 1.162 390 G CA 0.112 45.449 45.100 0.395 0.000 0.777 390 G HN 0.244 nan 8.290 nan 0.000 0.539 391 L N 0.237 121.675 121.223 0.358 0.000 2.056 391 L HA -0.056 4.283 4.340 -0.001 0.000 0.207 391 L C 2.593 179.529 176.870 0.110 0.000 1.078 391 L CA 1.423 56.345 54.840 0.135 0.000 0.749 391 L CB -0.302 41.892 42.059 0.226 0.000 0.901 391 L HN 0.232 nan 8.230 nan 0.000 0.433 392 D N 0.091 120.623 120.400 0.220 0.000 2.116 392 D HA -0.248 4.392 4.640 -0.001 0.000 0.193 392 D C 1.729 178.122 176.300 0.156 0.000 0.998 392 D CA 1.608 55.735 54.000 0.211 0.000 0.836 392 D CB 0.065 41.043 40.800 0.297 0.000 0.951 392 D HN 0.195 nan 8.370 nan 0.000 0.449 393 D N -0.357 120.148 120.400 0.176 0.000 2.144 393 D HA -0.106 4.533 4.640 -0.001 0.000 0.199 393 D C 2.320 178.629 176.300 0.014 0.000 0.984 393 D CA 0.491 54.605 54.000 0.189 0.000 0.834 393 D CB -0.246 40.779 40.800 0.374 0.000 0.955 393 D HN 0.377 nan 8.370 nan 0.000 0.465 394 I N 0.528 120.947 120.570 -0.251 0.000 2.163 394 I HA -0.256 3.914 4.170 -0.001 0.000 0.243 394 I C 2.423 178.416 176.117 -0.207 0.000 1.085 394 I CA 0.767 61.836 61.300 -0.385 0.000 1.347 394 I CB -0.138 37.630 38.000 -0.387 0.000 1.044 394 I HN -0.105 nan 8.210 nan 0.000 0.408 395 V N 0.791 120.637 119.914 -0.114 0.000 2.343 395 V HA -0.201 3.918 4.120 -0.001 0.000 0.247 395 V C 2.524 178.543 176.094 -0.125 0.000 1.051 395 V CA 2.141 64.388 62.300 -0.088 0.000 1.036 395 V CB -1.409 30.428 31.823 0.024 0.000 0.654 395 V HN 0.583 nan 8.190 nan 0.000 0.451 396 G N -0.355 108.428 108.800 -0.028 0.000 2.402 396 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 396 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 396 G C 1.234 176.086 174.900 -0.080 0.000 1.162 396 G CA 0.934 46.035 45.100 0.001 0.000 0.777 396 G HN 0.492 nan 8.290 nan 0.000 0.539 397 D N -0.150 120.202 120.400 -0.080 0.000 2.097 397 D HA -0.091 4.548 4.640 -0.001 0.000 0.195 397 D C 2.094 178.094 176.300 -0.499 0.000 0.989 397 D CA 1.335 55.259 54.000 -0.126 0.000 0.827 397 D CB -0.480 40.402 40.800 0.137 0.000 0.966 397 D HN 0.415 nan 8.370 nan 0.000 0.456 398 H N 0.934 119.391 119.070 -1.022 0.000 2.321 398 H HA 0.027 4.582 4.556 -0.001 0.000 0.300 398 H C 1.500 176.438 175.328 -0.650 0.000 1.087 398 H CA 1.717 57.020 56.048 -1.240 0.000 1.319 398 H CB 0.014 28.875 29.762 -1.501 0.000 1.379 398 H HN -0.009 nan 8.280 nan 0.000 0.501 399 N N -0.691 117.543 118.700 -0.778 0.000 2.415 399 N HA -0.007 4.732 4.740 -0.001 0.000 0.176 399 N C 1.138 176.378 175.510 -0.451 0.000 1.042 399 N CA 1.033 53.577 53.050 -0.844 0.000 0.902 399 N CB 1.047 38.625 38.487 -1.514 0.000 0.986 399 N HN 0.275 nan 8.380 nan 0.000 0.447 400 V N 0.416 120.154 119.914 -0.293 0.000 3.449 400 V HA 0.149 4.269 4.120 -0.001 0.000 0.208 400 V C 2.070 178.140 176.094 -0.040 0.000 1.269 400 V CA -0.085 62.176 62.300 -0.066 0.000 1.301 400 V CB 0.064 31.924 31.823 0.061 0.000 1.306 400 V HN -0.068 nan 8.190 nan 0.000 0.531 401 I N 0.655 121.218 120.570 -0.013 0.000 2.099 401 I HA -0.309 3.860 4.170 -0.001 0.000 0.239 401 I C 2.558 178.685 176.117 0.018 0.000 1.066 401 I CA 2.016 63.335 61.300 0.030 0.000 1.324 401 I CB -0.501 37.555 38.000 0.093 0.000 1.037 401 I HN 0.396 nan 8.210 nan 0.000 0.401 402 c N 0.582 119.184 118.600 0.004 0.000 2.440 402 c HA -0.029 4.541 4.570 -0.001 0.000 0.278 402 c C 0.239 174.357 174.090 0.047 0.000 1.295 402 c CA 0.630 57.001 56.329 0.069 0.000 1.738 402 c CB -1.774 40.824 42.510 0.146 0.000 1.987 402 c HN 0.370 nan 8.230 nan 0.000 0.492 403 P HA -0.080 nan 4.420 nan 0.000 0.217 403 P C 1.745 179.065 177.300 0.034 0.000 1.151 403 P CA 1.000 64.070 63.100 -0.051 0.000 0.828 403 P CB -0.172 31.399 31.700 -0.214 0.000 0.788 404 L N -1.725 119.499 121.223 0.001 0.000 2.056 404 L HA -0.141 4.198 4.340 -0.001 0.000 0.207 404 L C 2.070 178.981 176.870 0.069 0.000 1.078 404 L CA 1.657 56.514 54.840 0.029 0.000 0.749 404 L CB -0.525 41.525 42.059 -0.014 0.000 0.901 404 L HN -0.103 nan 8.230 nan 0.000 0.433 405 M N -1.096 118.533 119.600 0.050 0.000 2.229 405 M HA -0.210 4.269 4.480 -0.001 0.000 0.264 405 M C 2.236 178.592 176.300 0.093 0.000 1.063 405 M CA 1.571 56.893 55.300 0.037 0.000 1.114 405 M CB -1.531 31.109 32.600 0.066 0.000 1.387 405 M HN 0.427 nan 8.290 nan 0.000 0.420 406 H N -0.149 118.957 119.070 0.060 0.000 2.357 406 H HA -0.162 4.393 4.556 -0.001 0.000 0.301 406 H C 1.817 177.192 175.328 0.077 0.000 1.082 406 H CA 1.915 58.007 56.048 0.073 0.000 1.342 406 H CB -0.347 29.456 29.762 0.068 0.000 1.389 406 H HN 0.237 nan 8.280 nan 0.000 0.511 407 F N 0.053 119.960 119.950 -0.073 0.000 2.134 407 F HA -0.162 4.364 4.527 -0.001 0.000 0.299 407 F C 2.489 178.208 175.800 -0.136 0.000 1.097 407 F CA 1.482 59.398 58.000 -0.140 0.000 1.264 407 F CB -0.881 38.041 39.000 -0.129 0.000 1.001 407 F HN 0.140 nan 8.300 nan 0.000 0.479 408 V N 0.955 120.757 119.914 -0.187 0.000 2.427 408 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 408 V C 2.153 178.094 176.094 -0.255 0.000 1.051 408 V CA 2.464 64.554 62.300 -0.350 0.000 1.048 408 V CB -0.619 30.923 31.823 -0.467 0.000 0.666 408 V HN 0.430 nan 8.190 nan 0.000 0.456 409 N N -0.104 118.521 118.700 -0.126 0.000 2.216 409 N HA -0.087 4.653 4.740 -0.001 0.000 0.183 409 N C 1.801 177.286 175.510 -0.041 0.000 1.017 409 N CA 1.036 54.107 53.050 0.035 0.000 0.861 409 N CB -0.178 38.361 38.487 0.087 0.000 0.986 409 N HN 0.413 nan 8.380 nan 0.000 0.428 410 K N 0.461 120.755 120.400 -0.178 0.000 2.062 410 K HA -0.094 4.226 4.320 -0.001 0.000 0.205 410 K C 1.917 178.507 176.600 -0.018 0.000 1.051 410 K CA 0.632 56.850 56.287 -0.114 0.000 0.941 410 K CB -0.692 31.675 32.500 -0.221 0.000 0.719 410 K HN 0.281 nan 8.250 nan 0.000 0.440 411 Y N 2.196 122.254 120.300 -0.403 0.000 2.163 411 Y HA -0.193 4.357 4.550 -0.001 0.000 0.288 411 Y C 2.202 178.091 175.900 -0.018 0.000 1.136 411 Y CA 1.843 59.698 58.100 -0.409 0.000 1.147 411 Y CB -0.387 37.482 38.460 -0.986 0.000 0.987 411 Y HN 0.006 nan 8.280 nan 0.000 0.509 412 T N -0.493 114.096 114.554 0.058 0.000 2.869 412 T HA -0.244 4.105 4.350 -0.001 0.000 0.270 412 T C 1.991 176.693 174.700 0.003 0.000 1.082 412 T CA 1.580 63.744 62.100 0.107 0.000 1.123 412 T CB -0.321 68.709 68.868 0.270 0.000 0.856 412 T HN 0.177 nan 8.240 nan 0.000 0.499 413 K N 0.100 120.472 120.400 -0.047 0.000 2.148 413 K HA 0.032 4.352 4.320 -0.001 0.000 0.204 413 K C 1.473 177.808 176.600 -0.441 0.000 1.050 413 K CA 0.869 57.008 56.287 -0.247 0.000 0.942 413 K CB -0.516 31.791 32.500 -0.323 0.000 0.724 413 K HN 0.638 nan 8.250 nan 0.000 0.446 414 F N -0.642 119.242 119.950 -0.110 0.000 2.727 414 F HA 0.406 4.933 4.527 -0.001 0.000 0.302 414 F C 1.582 177.261 175.800 -0.203 0.000 1.107 414 F CA -0.138 57.760 58.000 -0.169 0.000 1.277 414 F CB -0.098 38.740 39.000 -0.271 0.000 1.079 414 F HN 0.235 nan 8.300 nan 0.000 0.594 415 G N 0.021 108.737 108.800 -0.139 0.000 2.712 415 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.258 415 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.258 415 G C 0.483 175.415 174.900 0.053 0.000 1.241 415 G CA -0.265 44.763 45.100 -0.119 0.000 0.923 415 G HN 0.322 nan 8.290 nan 0.000 0.548 416 N N -0.632 118.153 118.700 0.141 0.000 2.203 416 N HA 0.260 5.000 4.740 -0.001 0.000 0.207 416 N C 0.388 175.971 175.510 0.122 0.000 1.130 416 N CA 0.447 53.563 53.050 0.109 0.000 0.861 416 N CB 0.349 38.899 38.487 0.105 0.000 1.005 416 N HN 0.837 nan 8.380 nan 0.000 0.507 417 G N 0.363 109.253 108.800 0.150 0.000 2.158 417 G HA2 0.046 4.005 3.960 -0.001 0.000 0.238 417 G HA3 0.046 4.005 3.960 -0.001 0.000 0.238 417 G C -1.328 173.620 174.900 0.079 0.000 1.723 417 G CA -0.712 44.438 45.100 0.084 0.000 0.911 417 G HN -0.001 nan 8.290 nan 0.000 0.741 418 T N 1.531 116.015 114.554 -0.118 0.000 2.861 418 T HA 0.676 5.025 4.350 -0.001 0.000 0.287 418 T C -1.309 173.140 174.700 -0.419 0.000 1.003 418 T CA -0.345 61.686 62.100 -0.115 0.000 0.977 418 T CB 1.351 70.244 68.868 0.042 0.000 0.996 418 T HN 0.417 nan 8.240 nan 0.000 0.448 419 Y N 2.052 122.274 120.300 -0.129 0.000 2.326 419 Y HA 0.636 5.185 4.550 -0.001 0.000 0.329 419 Y C -0.526 175.419 175.900 0.074 0.000 0.973 419 Y CA -1.114 56.859 58.100 -0.211 0.000 1.162 419 Y CB 1.485 39.368 38.460 -0.962 0.000 1.147 419 Y HN 0.434 nan 8.280 nan 0.000 0.456 420 L N 5.995 127.571 121.223 0.587 0.000 2.329 420 L HA 0.630 4.970 4.340 -0.001 0.000 0.279 420 L C -1.212 176.109 176.870 0.752 0.000 1.014 420 L CA -1.007 54.121 54.840 0.481 0.000 0.814 420 L CB 0.711 42.912 42.059 0.236 0.000 1.257 420 L HN 0.526 nan 8.230 nan 0.000 0.424 421 Y N 3.182 123.795 120.300 0.522 0.000 2.602 421 Y HA 0.740 5.290 4.550 -0.001 0.000 0.342 421 Y C -1.790 174.384 175.900 0.457 0.000 1.029 421 Y CA -2.083 56.263 58.100 0.410 0.000 1.080 421 Y CB 1.329 39.974 38.460 0.310 0.000 1.284 421 Y HN 0.523 nan 8.280 nan 0.000 0.485 422 F N 4.087 124.378 119.950 0.567 0.000 2.577 422 F HA 0.460 4.987 4.527 -0.001 0.000 0.344 422 F C -1.945 174.164 175.800 0.515 0.000 1.145 422 F CA -1.806 56.456 58.000 0.436 0.000 0.996 422 F CB 0.752 39.994 39.000 0.403 0.000 1.248 422 F HN 0.563 nan 8.300 nan 0.000 0.447 423 F N 8.042 128.052 119.950 0.099 0.000 2.413 423 F HA 0.306 4.833 4.527 -0.001 0.000 0.359 423 F C 0.198 175.845 175.800 -0.254 0.000 1.122 423 F CA -0.323 57.679 58.000 0.004 0.000 1.160 423 F CB 0.491 39.563 39.000 0.119 0.000 1.146 423 F HN 0.529 nan 8.300 nan 0.000 0.514 424 N N 3.681 122.013 118.700 -0.614 0.000 2.571 424 N HA 0.088 4.828 4.740 -0.001 0.000 0.298 424 N C -1.323 173.932 175.510 -0.426 0.000 1.671 424 N CA -0.494 52.286 53.050 -0.450 0.000 0.900 424 N CB -0.541 37.864 38.487 -0.136 0.000 1.365 424 N HN 0.638 nan 8.380 nan 0.000 0.493 425 H N 0.307 118.823 119.070 -0.922 0.000 2.511 425 H HA 0.441 4.996 4.556 -0.001 0.000 0.328 425 H C -0.614 174.524 175.328 -0.316 0.000 1.044 425 H CA -0.656 55.042 56.048 -0.585 0.000 1.212 425 H CB 1.159 30.502 29.762 -0.699 0.000 1.428 425 H HN 0.139 nan 8.280 nan 0.000 0.483 426 R N 4.222 124.317 120.500 -0.675 0.000 2.221 426 R HA 0.531 4.871 4.340 -0.001 0.000 0.327 426 R C -0.534 175.502 176.300 -0.439 0.000 1.033 426 R CA -0.584 55.303 56.100 -0.354 0.000 0.887 426 R CB 0.388 30.571 30.300 -0.196 0.000 1.057 426 R HN 0.799 nan 8.270 nan 0.000 0.455 427 A N 2.904 125.745 122.820 0.035 0.000 2.531 427 A HA -0.004 4.316 4.320 -0.001 0.000 0.236 427 A C 1.266 178.931 177.584 0.135 0.000 1.062 427 A CA 0.505 52.736 52.037 0.322 0.000 0.760 427 A CB 0.331 19.663 19.000 0.555 0.000 0.995 427 A HN 1.003 nan 8.150 nan 0.000 0.501 428 S N 1.048 116.861 115.700 0.188 0.000 2.481 428 S HA -0.131 4.338 4.470 -0.001 0.000 0.231 428 S C 0.800 175.398 174.600 -0.003 0.000 0.996 428 S CA 0.987 59.235 58.200 0.080 0.000 0.942 428 S CB -0.408 62.861 63.200 0.115 0.000 0.768 428 S HN 0.916 nan 8.310 nan 0.000 0.520 429 N N 0.976 119.639 118.700 -0.062 0.000 2.273 429 N HA 0.256 4.996 4.740 -0.001 0.000 0.231 429 N C -0.207 175.246 175.510 -0.094 0.000 1.134 429 N CA -0.369 52.596 53.050 -0.142 0.000 0.856 429 N CB -0.513 37.774 38.487 -0.334 0.000 1.068 429 N HN 0.371 nan 8.380 nan 0.000 0.510 430 L N 0.799 122.011 121.223 -0.018 0.000 2.456 430 L HA 0.086 4.425 4.340 -0.001 0.000 0.272 430 L C 1.458 178.310 176.870 -0.032 0.000 1.189 430 L CA -0.461 54.384 54.840 0.008 0.000 0.846 430 L CB 1.149 43.225 42.059 0.030 0.000 1.111 430 L HN 0.099 nan 8.230 nan 0.000 0.475 431 V N -2.005 117.853 119.914 -0.093 0.000 3.660 431 V HA 0.108 4.227 4.120 -0.001 0.000 0.276 431 V C 0.374 176.468 176.094 -0.001 0.000 1.317 431 V CA -0.563 61.668 62.300 -0.114 0.000 1.097 431 V CB -0.732 30.914 31.823 -0.295 0.000 0.863 431 V HN 0.582 nan 8.190 nan 0.000 0.438 432 W N 2.265 123.593 121.300 0.047 0.000 2.184 432 W HA 0.515 5.175 4.660 -0.001 0.000 0.338 432 W C -1.662 174.782 176.519 -0.124 0.000 1.257 432 W CA -2.030 55.319 57.345 0.006 0.000 1.243 432 W CB -0.043 29.343 29.460 -0.125 0.000 1.122 432 W HN 0.006 nan 8.180 nan 0.000 0.585 433 P HA -0.088 nan 4.420 nan 0.000 0.269 433 P C 0.363 177.584 177.300 -0.131 0.000 1.217 433 P CA 0.373 63.445 63.100 -0.047 0.000 0.783 433 P CB 0.960 32.631 31.700 -0.049 0.000 0.898 434 E N 1.185 121.379 120.200 -0.009 0.000 2.153 434 E HA -0.131 4.219 4.350 -0.001 0.000 0.194 434 E C 1.893 178.523 176.600 0.050 0.000 0.988 434 E CA 1.266 57.677 56.400 0.018 0.000 0.811 434 E CB -0.463 29.282 29.700 0.074 0.000 0.746 434 E HN 0.716 nan 8.360 nan 0.000 0.466 435 W N 0.202 121.552 121.300 0.083 0.000 2.421 435 W HA -0.084 4.576 4.660 -0.001 0.000 0.270 435 W C 1.459 178.046 176.519 0.112 0.000 1.233 435 W CA 0.428 57.831 57.345 0.096 0.000 1.226 435 W CB -0.832 28.692 29.460 0.105 0.000 1.121 435 W HN -0.019 nan 8.180 nan 0.000 0.579 436 M N 1.255 120.534 119.600 -0.536 0.000 2.492 436 M HA 0.112 4.592 4.480 -0.001 0.000 0.262 436 M C 1.822 178.025 176.300 -0.161 0.000 1.090 436 M CA 1.614 56.589 55.300 -0.542 0.000 1.110 436 M CB -0.694 31.414 32.600 -0.819 0.000 1.407 436 M HN 0.169 nan 8.290 nan 0.000 0.470 437 G N 0.493 109.243 108.800 -0.083 0.000 2.583 437 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.292 437 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.292 437 G C -0.159 174.717 174.900 -0.041 0.000 1.203 437 G CA -0.181 44.907 45.100 -0.020 0.000 0.987 437 G HN 0.213 nan 8.290 nan 0.000 0.554 438 V N 2.063 121.981 119.914 0.008 0.000 2.313 438 V HA 0.383 4.502 4.120 -0.001 0.000 0.252 438 V C 1.105 177.266 176.094 0.112 0.000 1.112 438 V CA -0.039 62.297 62.300 0.061 0.000 0.984 438 V CB -0.055 31.790 31.823 0.036 0.000 1.157 438 V HN 0.527 nan 8.190 nan 0.000 0.493 439 I N 2.937 123.543 120.570 0.061 0.000 2.836 439 I HA 0.108 4.277 4.170 -0.001 0.000 0.285 439 I C 0.932 177.192 176.117 0.239 0.000 1.174 439 I CA -0.407 60.928 61.300 0.058 0.000 1.405 439 I CB 0.167 38.024 38.000 -0.238 0.000 1.385 439 I HN 0.554 nan 8.210 nan 0.000 0.594 440 H N 3.941 123.042 119.070 0.052 0.000 3.125 440 H HA 0.167 4.723 4.556 -0.001 0.000 0.310 440 H C 1.011 176.285 175.328 -0.090 0.000 0.980 440 H CA 0.986 57.046 56.048 0.020 0.000 1.422 440 H CB 0.213 29.978 29.762 0.005 0.000 1.432 440 H HN 0.749 nan 8.280 nan 0.000 0.577 441 G N 3.632 112.230 108.800 -0.336 0.000 2.199 441 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.254 441 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.254 441 G C 0.613 175.458 174.900 -0.092 0.000 0.982 441 G CA 0.465 45.361 45.100 -0.339 0.000 0.632 441 G HN 0.646 nan 8.290 nan 0.000 0.529 442 Y N 1.424 121.779 120.300 0.092 0.000 2.462 442 Y HA 0.233 4.783 4.550 -0.001 0.000 0.293 442 Y C 2.296 178.289 175.900 0.155 0.000 1.195 442 Y CA 1.005 59.240 58.100 0.224 0.000 1.276 442 Y CB 0.415 39.041 38.460 0.277 0.000 1.082 442 Y HN 0.525 nan 8.280 nan 0.000 0.514 443 E N -0.253 119.885 120.200 -0.103 0.000 2.415 443 E HA -0.032 4.317 4.350 -0.001 0.000 0.197 443 E C 1.628 178.112 176.600 -0.192 0.000 1.007 443 E CA 0.517 56.516 56.400 -0.669 0.000 0.890 443 E CB -0.433 28.619 29.700 -1.080 0.000 0.891 443 E HN 0.513 nan 8.360 nan 0.000 0.496 444 I N 2.766 123.326 120.570 -0.017 0.000 2.163 444 I HA -0.313 3.857 4.170 -0.001 0.000 0.243 444 I C 2.636 178.759 176.117 0.009 0.000 1.085 444 I CA 2.175 63.505 61.300 0.051 0.000 1.347 444 I CB -0.480 37.579 38.000 0.098 0.000 1.044 444 I HN 0.217 nan 8.210 nan 0.000 0.408 445 E N 0.865 121.030 120.200 -0.058 0.000 2.209 445 E HA -0.235 4.115 4.350 -0.001 0.000 0.196 445 E C 1.988 178.415 176.600 -0.288 0.000 0.993 445 E CA 1.483 57.776 56.400 -0.178 0.000 0.819 445 E CB -0.480 29.113 29.700 -0.177 0.000 0.745 445 E HN 0.446 nan 8.360 nan 0.000 0.477 446 F N 1.004 120.844 119.950 -0.183 0.000 2.270 446 F HA -0.009 4.518 4.527 -0.001 0.000 0.295 446 F C 2.351 177.975 175.800 -0.293 0.000 1.087 446 F CA 0.476 58.335 58.000 -0.236 0.000 1.365 446 F CB -0.116 38.783 39.000 -0.167 0.000 1.056 446 F HN -0.137 nan 8.300 nan 0.000 0.506 447 V N -0.978 118.845 119.914 -0.152 0.000 2.427 447 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 447 V C 1.678 177.614 176.094 -0.262 0.000 1.051 447 V CA 1.605 63.689 62.300 -0.359 0.000 1.048 447 V CB -0.624 31.015 31.823 -0.307 0.000 0.666 447 V HN 0.199 nan 8.190 nan 0.000 0.456 448 F N 0.459 120.267 119.950 -0.237 0.000 2.797 448 F HA 0.397 4.923 4.527 -0.001 0.000 0.302 448 F C 1.818 177.519 175.800 -0.165 0.000 1.130 448 F CA 0.585 58.474 58.000 -0.184 0.000 1.387 448 F CB -0.287 38.585 39.000 -0.214 0.000 1.107 448 F HN 0.261 nan 8.300 nan 0.000 0.577 449 G N 0.196 108.909 108.800 -0.144 0.000 2.160 449 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.251 449 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.251 449 G C 1.152 175.743 174.900 -0.516 0.000 1.008 449 G CA 0.368 45.306 45.100 -0.270 0.000 0.724 449 G HN 0.259 nan 8.290 nan 0.000 0.514 450 L N -0.186 120.708 121.223 -0.549 0.000 2.127 450 L HA -0.060 4.279 4.340 -0.001 0.000 0.211 450 L C 0.353 176.803 176.870 -0.699 0.000 1.089 450 L CA 2.565 57.029 54.840 -0.627 0.000 0.757 450 L CB -1.933 39.889 42.059 -0.395 0.000 0.899 450 L HN 0.204 nan 8.230 nan 0.000 0.434 451 P HA -0.129 nan 4.420 nan 0.000 0.223 451 P C 1.716 178.762 177.300 -0.423 0.000 1.144 451 P CA 0.778 63.252 63.100 -1.044 0.000 0.783 451 P CB 0.084 31.101 31.700 -1.138 0.000 0.771 452 L N -2.031 118.952 121.223 -0.399 0.000 2.478 452 L HA -0.033 4.306 4.340 -0.001 0.000 0.223 452 L C 0.723 177.469 176.870 -0.206 0.000 1.140 452 L CA 0.897 55.590 54.840 -0.246 0.000 0.842 452 L CB -0.727 41.208 42.059 -0.207 0.000 0.953 452 L HN -0.224 nan 8.230 nan 0.000 0.452 453 V N -0.277 119.474 119.914 -0.272 0.000 2.339 453 V HA 0.012 4.132 4.120 -0.001 0.000 0.261 453 V C 1.539 177.594 176.094 -0.065 0.000 1.058 453 V CA -0.140 62.056 62.300 -0.174 0.000 0.897 453 V CB 0.711 32.392 31.823 -0.236 0.000 1.052 453 V HN 0.219 nan 8.190 nan 0.000 0.480 454 K N 4.194 124.569 120.400 -0.041 0.000 2.034 454 K HA -0.247 4.072 4.320 -0.001 0.000 0.214 454 K C 1.717 178.307 176.600 -0.017 0.000 1.051 454 K CA 2.497 58.773 56.287 -0.017 0.000 0.931 454 K CB -0.418 32.072 32.500 -0.017 0.000 0.715 454 K HN 0.906 nan 8.250 nan 0.000 0.446 455 E N 0.452 120.635 120.200 -0.029 0.000 2.455 455 E HA -0.054 4.296 4.350 -0.001 0.000 0.202 455 E C 1.721 178.289 176.600 -0.054 0.000 1.045 455 E CA 1.147 57.524 56.400 -0.038 0.000 0.872 455 E CB -0.214 29.463 29.700 -0.038 0.000 0.792 455 E HN 0.452 nan 8.360 nan 0.000 0.542 456 L N 0.460 121.659 121.223 -0.041 0.000 2.591 456 L HA 0.078 4.418 4.340 -0.001 0.000 0.228 456 L C -0.079 176.674 176.870 -0.195 0.000 1.133 456 L CA -0.199 54.594 54.840 -0.080 0.000 0.880 456 L CB -0.291 41.797 42.059 0.048 0.000 1.033 456 L HN 0.138 nan 8.230 nan 0.000 0.450 457 N N -1.061 117.573 118.700 -0.109 0.000 2.754 457 N HA -0.234 4.506 4.740 -0.001 0.000 0.248 457 N C -0.588 174.830 175.510 -0.153 0.000 1.093 457 N CA 0.886 53.861 53.050 -0.124 0.000 0.699 457 N CB -1.863 36.532 38.487 -0.153 0.000 1.016 457 N HN 0.310 nan 8.380 nan 0.000 0.552 458 Y N 0.533 120.801 120.300 -0.053 0.000 2.374 458 Y HA 0.343 4.893 4.550 -0.001 0.000 0.322 458 Y C 1.826 177.725 175.900 -0.001 0.000 1.275 458 Y CA -0.092 57.992 58.100 -0.026 0.000 1.307 458 Y CB 0.696 39.105 38.460 -0.085 0.000 1.282 458 Y HN 0.103 nan 8.280 nan 0.000 0.509 459 T N -1.855 112.833 114.554 0.223 0.000 2.816 459 T HA 0.448 4.798 4.350 -0.001 0.000 0.282 459 T C 1.149 175.911 174.700 0.102 0.000 0.993 459 T CA -0.282 61.897 62.100 0.133 0.000 0.994 459 T CB 1.281 70.229 68.868 0.133 0.000 1.025 459 T HN 0.758 nan 8.240 nan 0.000 0.529 460 A N 0.669 123.525 122.820 0.060 0.000 1.933 460 A HA -0.047 4.273 4.320 -0.001 0.000 0.218 460 A C 2.133 179.732 177.584 0.026 0.000 1.175 460 A CA 1.645 53.701 52.037 0.032 0.000 0.628 460 A CB -1.037 17.975 19.000 0.021 0.000 0.814 460 A HN 0.920 nan 8.150 nan 0.000 0.444 461 E N 0.285 120.506 120.200 0.036 0.000 2.110 461 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 461 E C 1.859 178.464 176.600 0.007 0.000 0.988 461 E CA 1.453 57.861 56.400 0.012 0.000 0.804 461 E CB -0.225 29.482 29.700 0.012 0.000 0.745 461 E HN 0.772 nan 8.360 nan 0.000 0.458 462 E N 0.419 120.665 120.200 0.075 0.000 2.152 462 E HA -0.163 4.187 4.350 -0.001 0.000 0.192 462 E C 1.972 178.621 176.600 0.082 0.000 0.983 462 E CA 0.689 57.196 56.400 0.179 0.000 0.818 462 E CB 0.020 29.948 29.700 0.381 0.000 0.758 462 E HN 0.320 nan 8.360 nan 0.000 0.467 463 E N 0.929 121.125 120.200 -0.007 0.000 2.072 463 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 463 E C 2.065 178.633 176.600 -0.053 0.000 0.985 463 E CA 0.904 57.254 56.400 -0.083 0.000 0.801 463 E CB -0.021 29.640 29.700 -0.064 0.000 0.750 463 E HN 0.196 nan 8.360 nan 0.000 0.452 464 A N 1.190 123.993 122.820 -0.028 0.000 1.933 464 A HA -0.172 4.148 4.320 -0.001 0.000 0.218 464 A C 2.126 179.691 177.584 -0.032 0.000 1.175 464 A CA 1.279 53.295 52.037 -0.036 0.000 0.628 464 A CB -0.615 18.367 19.000 -0.030 0.000 0.814 464 A HN 0.382 nan 8.150 nan 0.000 0.444 465 L N -0.295 120.926 121.223 -0.003 0.000 2.046 465 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 465 L C 2.558 179.471 176.870 0.071 0.000 1.077 465 L CA 2.589 57.435 54.840 0.009 0.000 0.747 465 L CB -0.927 41.106 42.059 -0.043 0.000 0.896 465 L HN 0.336 nan 8.230 nan 0.000 0.432 466 S N -0.589 115.195 115.700 0.140 0.000 2.353 466 S HA -0.235 4.235 4.470 -0.001 0.000 0.222 466 S C 2.198 176.764 174.600 -0.057 0.000 1.035 466 S CA 1.551 59.783 58.200 0.053 0.000 1.025 466 S CB -0.242 62.869 63.200 -0.149 0.000 0.902 466 S HN 0.532 nan 8.310 nan 0.000 0.440 467 R N 0.388 120.845 120.500 -0.072 0.000 2.091 467 R HA -0.072 4.268 4.340 -0.001 0.000 0.238 467 R C 2.763 179.014 176.300 -0.082 0.000 1.136 467 R CA 1.635 57.687 56.100 -0.081 0.000 0.959 467 R CB -0.360 29.887 30.300 -0.089 0.000 0.856 467 R HN 0.396 nan 8.270 nan 0.000 0.437 468 R N 0.875 121.309 120.500 -0.109 0.000 2.081 468 R HA -0.109 4.231 4.340 -0.001 0.000 0.235 468 R C 2.191 178.348 176.300 -0.238 0.000 1.131 468 R CA 1.451 57.419 56.100 -0.220 0.000 0.960 468 R CB -0.185 29.996 30.300 -0.198 0.000 0.856 468 R HN 0.206 nan 8.270 nan 0.000 0.436 469 I N 0.403 120.928 120.570 -0.075 0.000 2.202 469 I HA -0.300 3.870 4.170 -0.001 0.000 0.242 469 I C 2.507 178.589 176.117 -0.059 0.000 1.091 469 I CA 1.244 62.525 61.300 -0.032 0.000 1.368 469 I CB -0.157 37.675 38.000 -0.280 0.000 1.058 469 I HN 0.270 nan 8.210 nan 0.000 0.410 470 M N -0.513 119.021 119.600 -0.111 0.000 2.108 470 M HA -0.273 4.206 4.480 -0.001 0.000 0.261 470 M C 2.421 178.789 176.300 0.114 0.000 1.066 470 M CA 1.812 57.077 55.300 -0.060 0.000 1.107 470 M CB -0.763 31.793 32.600 -0.073 0.000 1.356 470 M HN 0.279 nan 8.290 nan 0.000 0.406 471 H N -0.503 118.565 119.070 -0.003 0.000 2.428 471 H HA -0.123 4.432 4.556 -0.001 0.000 0.296 471 H C 1.514 176.952 175.328 0.183 0.000 1.062 471 H CA 1.691 57.755 56.048 0.025 0.000 1.350 471 H CB 0.056 29.775 29.762 -0.071 0.000 1.403 471 H HN 0.270 nan 8.280 nan 0.000 0.533 472 Y N -0.885 119.571 120.300 0.259 0.000 2.133 472 Y HA -0.217 4.333 4.550 -0.001 0.000 0.287 472 Y C 2.493 178.601 175.900 0.346 0.000 1.134 472 Y CA 1.042 59.344 58.100 0.336 0.000 1.133 472 Y CB -1.033 37.841 38.460 0.690 0.000 0.987 472 Y HN 0.337 nan 8.280 nan 0.000 0.502 473 W N -0.468 120.943 121.300 0.185 0.000 2.335 473 W HA -0.248 4.412 4.660 -0.001 0.000 0.311 473 W C 2.558 179.079 176.519 0.003 0.000 1.213 473 W CA 1.149 58.531 57.345 0.061 0.000 1.274 473 W CB -0.491 28.950 29.460 -0.032 0.000 1.148 473 W HN 0.060 nan 8.180 nan 0.000 0.498 474 A N -0.180 122.756 122.820 0.192 0.000 1.930 474 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 474 A C 1.815 179.383 177.584 -0.026 0.000 1.175 474 A CA 2.092 54.153 52.037 0.040 0.000 0.627 474 A CB -1.114 17.902 19.000 0.026 0.000 0.815 474 A HN 0.191 nan 8.150 nan 0.000 0.443 475 T N -0.855 113.649 114.554 -0.083 0.000 2.821 475 T HA -0.076 4.273 4.350 -0.001 0.000 0.267 475 T C 1.580 176.232 174.700 -0.079 0.000 1.046 475 T CA 1.423 63.438 62.100 -0.142 0.000 1.139 475 T CB -0.349 68.367 68.868 -0.253 0.000 0.871 475 T HN 0.506 nan 8.240 nan 0.000 0.454 476 F N 2.389 122.240 119.950 -0.165 0.000 2.113 476 F HA 0.057 4.583 4.527 -0.001 0.000 0.297 476 F C 2.424 178.136 175.800 -0.146 0.000 1.103 476 F CA 0.973 58.840 58.000 -0.222 0.000 1.248 476 F CB -0.677 38.124 39.000 -0.332 0.000 0.999 476 F HN 0.130 nan 8.300 nan 0.000 0.475 477 A N 0.273 123.001 122.820 -0.154 0.000 1.940 477 A HA -0.247 4.073 4.320 -0.001 0.000 0.219 477 A C 2.332 179.780 177.584 -0.227 0.000 1.176 477 A CA 1.990 53.901 52.037 -0.210 0.000 0.631 477 A CB -0.851 18.105 19.000 -0.073 0.000 0.814 477 A HN 0.520 nan 8.150 nan 0.000 0.446 478 K N -0.963 119.336 120.400 -0.169 0.000 2.076 478 K HA -0.096 4.223 4.320 -0.001 0.000 0.204 478 K C 1.820 178.327 176.600 -0.154 0.000 1.051 478 K CA 1.806 58.016 56.287 -0.128 0.000 0.949 478 K CB -0.073 32.378 32.500 -0.082 0.000 0.726 478 K HN 0.601 nan 8.250 nan 0.000 0.443 479 T N -4.768 109.668 114.554 -0.198 0.000 2.975 479 T HA 0.255 4.605 4.350 -0.001 0.000 0.257 479 T C 1.113 175.675 174.700 -0.230 0.000 1.003 479 T CA 0.486 62.485 62.100 -0.169 0.000 0.932 479 T CB 0.911 69.716 68.868 -0.106 0.000 1.087 479 T HN 0.328 nan 8.240 nan 0.000 0.512 480 G N 1.449 109.973 108.800 -0.460 0.000 2.157 480 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.248 480 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.248 480 G C -0.185 174.627 174.900 -0.147 0.000 0.979 480 G CA 0.027 44.808 45.100 -0.531 0.000 0.650 480 G HN 0.830 nan 8.290 nan 0.000 0.529 481 N N -0.233 118.380 118.700 -0.144 0.000 2.478 481 N HA 0.421 5.161 4.740 -0.001 0.000 0.291 481 N C -1.639 173.727 175.510 -0.241 0.000 1.090 481 N CA -1.405 51.537 53.050 -0.181 0.000 0.911 481 N CB 2.503 40.963 38.487 -0.046 0.000 1.546 481 N HN -0.055 nan 8.380 nan 0.000 0.500 482 P HA -0.047 nan 4.420 nan 0.000 0.226 482 P C -0.409 176.920 177.300 0.047 0.000 1.153 482 P CA 0.587 63.549 63.100 -0.230 0.000 0.777 482 P CB 0.358 31.679 31.700 -0.632 0.000 0.794 483 N N 1.764 120.454 118.700 -0.016 0.000 2.514 483 N HA 0.066 4.806 4.740 -0.001 0.000 0.277 483 N C 0.362 175.930 175.510 0.097 0.000 1.126 483 N CA 0.039 53.173 53.050 0.140 0.000 0.978 483 N CB 0.765 39.336 38.487 0.140 0.000 1.106 483 N HN 0.076 nan 8.380 nan 0.000 0.461 484 E N 2.311 122.596 120.200 0.141 0.000 2.366 484 E HA 0.148 4.497 4.350 -0.001 0.000 0.266 484 E C -1.631 175.024 176.600 0.093 0.000 1.015 484 E CA -1.078 55.392 56.400 0.117 0.000 0.906 484 E CB 0.323 30.128 29.700 0.174 0.000 0.979 484 E HN 0.335 nan 8.360 nan 0.000 0.443 490 S N 1.059 116.831 115.700 0.119 0.000 2.537 490 S HA 0.198 4.668 4.470 -0.001 0.000 0.286 490 S C -0.239 174.475 174.600 0.189 0.000 1.299 490 S CA -0.284 57.991 58.200 0.125 0.000 1.067 490 S CB -0.022 63.238 63.200 0.101 0.000 0.864 490 S HN 0.325 nan 8.310 nan 0.000 0.494 491 K N 3.572 124.080 120.400 0.180 0.000 2.205 491 K HA 0.130 4.450 4.320 -0.001 0.000 0.279 491 K C -0.333 176.447 176.600 0.300 0.000 1.027 491 K CA -0.424 56.007 56.287 0.240 0.000 0.932 491 K CB 0.588 33.205 32.500 0.195 0.000 1.032 491 K HN 0.720 nan 8.250 nan 0.000 0.466 492 W N 7.349 128.725 121.300 0.126 0.000 2.481 492 W HA 0.147 4.806 4.660 -0.001 0.000 0.320 492 W C -2.237 174.412 176.519 0.217 0.000 1.209 492 W CA -2.528 54.881 57.345 0.105 0.000 1.400 492 W CB -0.209 29.211 29.460 -0.067 0.000 1.361 492 W HN 0.381 nan 8.180 nan 0.000 0.456 493 P HA -0.011 nan 4.420 nan 0.000 0.272 493 P C -0.505 177.030 177.300 0.393 0.000 1.223 493 P CA -0.383 62.950 63.100 0.389 0.000 0.784 493 P CB 1.467 33.307 31.700 0.233 0.000 0.923 494 L N 3.140 124.451 121.223 0.147 0.000 2.426 494 L HA 0.278 4.617 4.340 -0.001 0.000 0.271 494 L C -0.157 176.706 176.870 -0.013 0.000 1.169 494 L CA -0.398 54.332 54.840 -0.183 0.000 0.836 494 L CB -0.494 41.460 42.059 -0.176 0.000 1.112 494 L HN 0.218 nan 8.230 nan 0.000 0.465 495 F N 4.383 124.237 119.950 -0.160 0.000 2.445 495 F HA 0.489 5.015 4.527 -0.001 0.000 0.359 495 F C 0.227 176.003 175.800 -0.040 0.000 1.101 495 F CA -0.147 57.847 58.000 -0.009 0.000 1.177 495 F CB 0.553 39.572 39.000 0.032 0.000 1.110 495 F HN 0.657 nan 8.300 nan 0.000 0.522 496 T N 1.262 115.485 114.554 -0.552 0.000 2.908 496 T HA 0.267 4.616 4.350 -0.001 0.000 0.290 496 T C 0.904 175.278 174.700 -0.544 0.000 1.034 496 T CA -0.458 61.425 62.100 -0.360 0.000 1.010 496 T CB 1.524 70.270 68.868 -0.204 0.000 1.068 496 T HN 0.545 nan 8.240 nan 0.000 0.481 497 T N 0.836 115.255 114.554 -0.225 0.000 2.737 497 T HA -0.119 4.231 4.350 -0.001 0.000 0.269 497 T C 1.731 176.333 174.700 -0.163 0.000 1.040 497 T CA 1.686 63.705 62.100 -0.136 0.000 1.142 497 T CB -0.242 68.592 68.868 -0.057 0.000 0.861 497 T HN 0.733 nan 8.240 nan 0.000 0.456 498 K N 0.760 121.065 120.400 -0.158 0.000 2.005 498 K HA -0.037 4.282 4.320 -0.001 0.000 0.206 498 K C 2.210 178.732 176.600 -0.129 0.000 1.044 498 K CA 1.170 57.388 56.287 -0.115 0.000 0.942 498 K CB 0.067 32.516 32.500 -0.086 0.000 0.727 498 K HN 0.330 nan 8.250 nan 0.000 0.439 499 E N 0.372 120.471 120.200 -0.168 0.000 2.250 499 E HA -0.078 4.272 4.350 -0.001 0.000 0.192 499 E C -0.160 176.330 176.600 -0.185 0.000 0.986 499 E CA 0.111 56.429 56.400 -0.137 0.000 0.849 499 E CB 0.285 29.927 29.700 -0.097 0.000 0.797 499 E HN 0.304 nan 8.360 nan 0.000 0.482 500 Q N 1.102 120.633 119.800 -0.450 0.000 2.435 500 Q HA -0.202 4.137 4.340 -0.001 0.000 0.312 500 Q C -0.770 175.194 176.000 -0.060 0.000 1.333 500 Q CA 0.649 56.054 55.803 -0.663 0.000 0.883 500 Q CB -1.307 27.299 28.738 -0.219 0.000 1.170 500 Q HN 0.209 nan 8.270 nan 0.000 0.443 501 K N 0.448 120.839 120.400 -0.015 0.000 2.202 501 K HA 0.579 4.899 4.320 -0.001 0.000 0.264 501 K C 0.013 176.931 176.600 0.530 0.000 1.010 501 K CA 0.055 56.467 56.287 0.208 0.000 0.940 501 K CB 0.521 33.079 32.500 0.096 0.000 0.983 501 K HN 0.212 nan 8.250 nan 0.000 0.475 502 F N -0.504 119.616 119.950 0.284 0.000 2.711 502 F HA 0.606 5.133 4.527 -0.001 0.000 0.313 502 F C -1.149 174.765 175.800 0.191 0.000 1.141 502 F CA -1.515 56.683 58.000 0.331 0.000 0.941 502 F CB 0.735 39.938 39.000 0.340 0.000 1.349 502 F HN 0.430 nan 8.300 nan 0.000 0.464 503 I N -0.311 120.373 120.570 0.190 0.000 3.002 503 I HA 0.662 4.831 4.170 -0.001 0.000 0.310 503 I C -1.349 174.894 176.117 0.209 0.000 1.087 503 I CA -0.957 60.302 61.300 -0.069 0.000 1.017 503 I CB 2.231 39.980 38.000 -0.419 0.000 1.226 503 I HN 0.716 nan 8.210 nan 0.000 0.443 504 D N 4.256 124.775 120.400 0.199 0.000 2.294 504 D HA 0.457 5.097 4.640 -0.001 0.000 0.250 504 D C -0.817 175.572 176.300 0.148 0.000 1.058 504 D CA -0.438 53.762 54.000 0.334 0.000 0.950 504 D CB 2.283 43.302 40.800 0.364 0.000 1.158 504 D HN 0.624 nan 8.370 nan 0.000 0.453 505 L N 1.626 122.938 121.223 0.149 0.000 2.388 505 L HA 0.365 4.705 4.340 -0.001 0.000 0.267 505 L C -0.744 176.051 176.870 -0.125 0.000 0.995 505 L CA -0.586 54.292 54.840 0.063 0.000 0.864 505 L CB 0.600 42.777 42.059 0.196 0.000 1.216 505 L HN 0.560 nan 8.230 nan 0.000 0.430 506 N N -0.967 117.664 118.700 -0.114 0.000 3.277 506 N HA 0.199 4.939 4.740 -0.001 0.000 0.278 506 N C 0.361 175.769 175.510 -0.169 0.000 1.544 506 N CA -0.352 52.580 53.050 -0.197 0.000 0.869 506 N CB 0.625 39.061 38.487 -0.086 0.000 1.584 506 N HN 0.143 nan 8.380 nan 0.000 0.564 507 T N -3.505 110.921 114.554 -0.214 0.000 3.160 507 T HA 0.121 4.471 4.350 -0.001 0.000 0.257 507 T C 0.037 174.709 174.700 -0.046 0.000 1.147 507 T CA 0.545 62.552 62.100 -0.155 0.000 1.064 507 T CB -0.498 68.260 68.868 -0.183 0.000 0.949 507 T HN 0.515 nan 8.240 nan 0.000 0.526 508 E N 1.845 122.037 120.200 -0.014 0.000 2.280 508 E HA 0.346 4.695 4.350 -0.001 0.000 0.261 508 E C -2.674 173.934 176.600 0.014 0.000 1.088 508 E CA -2.739 53.669 56.400 0.013 0.000 0.915 508 E CB 0.393 30.114 29.700 0.035 0.000 1.141 508 E HN 0.124 nan 8.360 nan 0.000 0.433 509 P HA -0.086 nan 4.420 nan 0.000 0.262 509 P C -0.353 176.959 177.300 0.019 0.000 1.199 509 P CA 0.457 63.568 63.100 0.019 0.000 0.763 509 P CB 0.276 31.986 31.700 0.017 0.000 0.790 510 M N 3.417 123.032 119.600 0.025 0.000 2.226 510 M HA -0.051 4.428 4.480 -0.001 0.000 0.352 510 M C -0.459 175.823 176.300 -0.030 0.000 1.226 510 M CA 1.235 56.543 55.300 0.014 0.000 0.943 510 M CB 0.160 32.784 32.600 0.041 0.000 1.805 510 M HN 0.030 nan 8.290 nan 0.000 0.465 511 K N 3.749 124.100 120.400 -0.082 0.000 2.427 511 K HA 0.630 4.949 4.320 -0.001 0.000 0.252 511 K C -1.321 175.015 176.600 -0.439 0.000 0.931 511 K CA -0.896 55.254 56.287 -0.229 0.000 0.793 511 K CB 2.243 34.616 32.500 -0.212 0.000 1.211 511 K HN 0.617 nan 8.250 nan 0.000 0.426 512 V N 3.506 123.130 119.914 -0.482 0.000 2.481 512 V HA 0.489 4.608 4.120 -0.001 0.000 0.286 512 V C 0.013 175.631 176.094 -0.794 0.000 1.042 512 V CA -0.487 61.522 62.300 -0.485 0.000 0.928 512 V CB 1.029 32.722 31.823 -0.216 0.000 0.986 512 V HN 0.807 nan 8.190 nan 0.000 0.462 513 H N 2.865 121.588 119.070 -0.577 0.000 2.949 513 H HA 0.662 5.218 4.556 -0.001 0.000 0.310 513 H C -1.065 173.962 175.328 -0.501 0.000 1.405 513 H CA -0.820 54.841 56.048 -0.646 0.000 1.253 513 H CB 2.204 31.350 29.762 -1.026 0.000 1.932 513 H HN 0.563 nan 8.280 nan 0.000 0.602 514 Q N 0.203 120.013 119.800 0.016 0.000 2.379 514 Q HA 0.352 4.692 4.340 -0.001 0.000 0.278 514 Q C -0.738 175.510 176.000 0.414 0.000 1.068 514 Q CA -0.888 55.060 55.803 0.242 0.000 0.816 514 Q CB 2.964 31.765 28.738 0.104 0.000 1.387 514 Q HN 0.470 nan 8.270 nan 0.000 0.413 515 R N 1.032 121.769 120.500 0.396 0.000 3.079 515 R HA -0.200 4.139 4.340 -0.001 0.000 0.254 515 R C -0.489 175.956 176.300 0.242 0.000 0.900 515 R CA 0.010 56.277 56.100 0.278 0.000 0.641 515 R CB -1.585 28.819 30.300 0.173 0.000 1.307 515 R HN 0.624 nan 8.270 nan 0.000 0.477 516 L N 2.304 123.596 121.223 0.115 0.000 2.660 516 L HA -0.056 4.283 4.340 -0.001 0.000 0.272 516 L C 0.840 177.670 176.870 -0.067 0.000 1.194 516 L CA 0.550 55.240 54.840 -0.249 0.000 0.945 516 L CB 0.041 41.612 42.059 -0.813 0.000 1.212 516 L HN 0.470 nan 8.230 nan 0.000 0.490 517 R N 2.378 122.861 120.500 -0.028 0.000 3.358 517 R HA -0.226 4.114 4.340 -0.001 0.000 0.248 517 R C 1.124 177.487 176.300 0.103 0.000 0.981 517 R CA 0.610 56.739 56.100 0.048 0.000 0.662 517 R CB -1.753 28.593 30.300 0.076 0.000 1.037 517 R HN 0.717 nan 8.270 nan 0.000 0.460 518 V N 0.359 120.333 119.914 0.100 0.000 2.392 518 V HA -0.344 3.776 4.120 -0.001 0.000 0.249 518 V C 2.337 178.506 176.094 0.125 0.000 1.059 518 V CA 2.595 64.968 62.300 0.122 0.000 1.051 518 V CB -0.067 31.825 31.823 0.114 0.000 0.658 518 V HN 0.516 nan 8.190 nan 0.000 0.455 519 Q N -0.219 119.638 119.800 0.094 0.000 2.061 519 Q HA -0.236 4.104 4.340 -0.001 0.000 0.204 519 Q C 1.924 177.989 176.000 0.108 0.000 0.984 519 Q CA 2.882 58.727 55.803 0.071 0.000 0.846 519 Q CB -0.367 28.383 28.738 0.019 0.000 0.902 519 Q HN 0.722 nan 8.270 nan 0.000 0.421 520 M N -1.630 118.059 119.600 0.148 0.000 2.349 520 M HA -0.019 4.461 4.480 -0.001 0.000 0.266 520 M C 2.190 178.783 176.300 0.489 0.000 1.076 520 M CA 0.696 56.158 55.300 0.271 0.000 1.126 520 M CB -0.238 32.574 32.600 0.353 0.000 1.392 520 M HN 0.182 nan 8.290 nan 0.000 0.440 521 c N -0.635 118.196 118.600 0.384 0.000 2.446 521 c HA 0.003 4.573 4.570 -0.001 0.000 0.279 521 c C 2.797 177.078 174.090 0.319 0.000 1.366 521 c CA 0.348 56.910 56.329 0.388 0.000 1.763 521 c CB -0.742 41.925 42.510 0.262 0.000 1.929 521 c HN 0.396 nan 8.230 nan 0.000 0.509 522 V N 0.591 120.656 119.914 0.251 0.000 2.427 522 V HA -0.214 3.905 4.120 -0.001 0.000 0.248 522 V C 2.037 178.261 176.094 0.217 0.000 1.051 522 V CA 2.174 64.593 62.300 0.200 0.000 1.048 522 V CB -0.770 31.144 31.823 0.151 0.000 0.666 522 V HN 0.577 nan 8.190 nan 0.000 0.456 523 F N -0.058 119.947 119.950 0.092 0.000 2.075 523 F HA -0.195 4.332 4.527 -0.001 0.000 0.297 523 F C 1.992 177.810 175.800 0.030 0.000 1.113 523 F CA 1.767 59.780 58.000 0.021 0.000 1.218 523 F CB -0.437 38.459 39.000 -0.173 0.000 0.984 523 F HN 0.167 nan 8.300 nan 0.000 0.472 524 W N 0.567 121.957 121.300 0.150 0.000 2.418 524 W HA -0.103 4.557 4.660 -0.001 0.000 0.292 524 W C 2.090 178.585 176.519 -0.040 0.000 1.213 524 W CA 0.848 58.208 57.345 0.024 0.000 1.283 524 W CB -0.427 29.173 29.460 0.233 0.000 1.119 524 W HN -0.015 nan 8.180 nan 0.000 0.542 525 N N -0.792 118.039 118.700 0.218 0.000 2.409 525 N HA -0.043 4.697 4.740 -0.001 0.000 0.174 525 N C 1.433 176.947 175.510 0.007 0.000 1.037 525 N CA 0.906 53.996 53.050 0.066 0.000 0.898 525 N CB -0.062 38.479 38.487 0.089 0.000 1.010 525 N HN 0.159 nan 8.380 nan 0.000 0.445 526 Q N -0.701 119.125 119.800 0.043 0.000 2.606 526 Q HA 0.272 4.611 4.340 -0.001 0.000 0.215 526 Q C 1.516 177.518 176.000 0.004 0.000 0.908 526 Q CA 0.083 55.909 55.803 0.039 0.000 0.908 526 Q CB -0.737 28.058 28.738 0.096 0.000 1.120 526 Q HN 0.176 nan 8.270 nan 0.000 0.628 527 F N 1.112 120.978 119.950 -0.140 0.000 2.060 527 F HA -0.132 4.394 4.527 -0.001 0.000 0.295 527 F C 1.863 177.478 175.800 -0.309 0.000 1.120 527 F CA 1.027 58.909 58.000 -0.197 0.000 1.205 527 F CB -0.421 38.480 39.000 -0.165 0.000 0.986 527 F HN 0.149 nan 8.300 nan 0.000 0.470 528 L N 1.123 121.940 121.223 -0.677 0.000 2.042 528 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 528 L C -0.892 175.711 176.870 -0.445 0.000 1.076 528 L CA 2.153 56.552 54.840 -0.735 0.000 0.749 528 L CB -1.894 39.671 42.059 -0.824 0.000 0.893 528 L HN 0.014 nan 8.230 nan 0.000 0.432 529 P HA -0.200 nan 4.420 nan 0.000 0.216 529 P C 1.475 178.655 177.300 -0.200 0.000 1.153 529 P CA 1.542 64.544 63.100 -0.164 0.000 0.848 529 P CB -0.045 31.592 31.700 -0.105 0.000 0.787 530 K N -0.132 120.114 120.400 -0.256 0.000 2.097 530 K HA -0.125 4.195 4.320 -0.001 0.000 0.206 530 K C 2.024 178.443 176.600 -0.302 0.000 1.049 530 K CA 0.975 57.121 56.287 -0.235 0.000 0.933 530 K CB -0.709 31.667 32.500 -0.206 0.000 0.717 530 K HN 0.057 nan 8.250 nan 0.000 0.442 531 L N 0.944 121.863 121.223 -0.507 0.000 2.027 531 L HA -0.138 4.201 4.340 -0.001 0.000 0.206 531 L C 2.036 178.747 176.870 -0.265 0.000 1.074 531 L CA 1.204 55.766 54.840 -0.464 0.000 0.745 531 L CB -0.165 41.467 42.059 -0.712 0.000 0.898 531 L HN 0.228 nan 8.230 nan 0.000 0.433 532 L N 0.191 121.270 121.223 -0.242 0.000 2.201 532 L HA -0.208 4.131 4.340 -0.001 0.000 0.212 532 L C 2.421 179.229 176.870 -0.104 0.000 1.105 532 L CA 1.228 55.978 54.840 -0.150 0.000 0.775 532 L CB -0.846 41.141 42.059 -0.120 0.000 0.913 532 L HN 0.498 nan 8.230 nan 0.000 0.440 533 N N 0.643 119.277 118.700 -0.110 0.000 2.300 533 N HA -0.099 4.640 4.740 -0.001 0.000 0.179 533 N C 1.783 177.251 175.510 -0.070 0.000 1.016 533 N CA 1.236 54.241 53.050 -0.075 0.000 0.876 533 N CB 0.295 38.739 38.487 -0.072 0.000 0.979 533 N HN 0.275 nan 8.380 nan 0.000 0.432 534 A N 0.256 123.022 122.820 -0.090 0.000 1.970 534 A HA 0.021 4.340 4.320 -0.001 0.000 0.216 534 A C 1.447 178.996 177.584 -0.059 0.000 1.170 534 A CA 1.331 53.326 52.037 -0.070 0.000 0.645 534 A CB -0.656 18.296 19.000 -0.080 0.000 0.816 534 A HN 0.552 nan 8.150 nan 0.000 0.447 535 T N 0.000 114.512 114.554 -0.071 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.067 62.100 -0.055 0.000 1.349 535 T CB 0.000 68.830 68.868 -0.064 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658