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 2ckm_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 EPXXXXSKWP 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 0.081 0.000 1.055 4 S CA 0.000 58.231 58.200 0.051 0.000 1.107 4 S CB 0.000 63.228 63.200 0.048 0.000 0.593 5 E N 2.666 122.917 120.200 0.085 0.000 2.209 5 E HA -0.056 4.294 4.350 -0.001 0.000 0.196 5 E C 1.002 177.725 176.600 0.205 0.000 0.993 5 E CA 1.298 57.775 56.400 0.128 0.000 0.819 5 E CB -0.043 29.719 29.700 0.103 0.000 0.745 5 E HN 0.719 nan 8.360 nan 0.000 0.477 6 L N 0.698 122.009 121.223 0.147 0.000 2.611 6 L HA 0.166 4.506 4.340 -0.001 0.000 0.229 6 L C 0.171 177.223 176.870 0.304 0.000 1.137 6 L CA -0.340 54.590 54.840 0.150 0.000 0.901 6 L CB 0.544 42.580 42.059 -0.039 0.000 1.098 6 L HN 0.007 nan 8.230 nan 0.000 0.456 7 L N 0.900 122.279 121.223 0.261 0.000 2.333 7 L HA 0.686 5.026 4.340 -0.001 0.000 0.280 7 L C -0.636 176.327 176.870 0.155 0.000 1.004 7 L CA -0.408 54.570 54.840 0.229 0.000 0.820 7 L CB 1.891 44.026 42.059 0.127 0.000 1.247 7 L HN -0.121 nan 8.230 nan 0.000 0.416 8 V N 4.060 124.036 119.914 0.102 0.000 2.638 8 V HA 0.491 4.611 4.120 -0.001 0.000 0.306 8 V C -0.444 175.557 176.094 -0.155 0.000 1.052 8 V CA -0.857 61.334 62.300 -0.181 0.000 0.885 8 V CB 2.168 33.563 31.823 -0.713 0.000 0.999 8 V HN 0.901 nan 8.190 nan 0.000 0.424 9 N N 2.966 121.522 118.700 -0.241 0.000 2.419 9 N HA 0.566 5.305 4.740 -0.001 0.000 0.264 9 N C -0.154 175.040 175.510 -0.526 0.000 1.031 9 N CA -0.020 52.863 53.050 -0.278 0.000 0.951 9 N CB 1.474 39.786 38.487 -0.293 0.000 1.101 9 N HN 0.930 nan 8.380 nan 0.000 0.488 10 T N -0.131 114.210 114.554 -0.355 0.000 2.927 10 T HA 0.398 4.747 4.350 -0.001 0.000 0.286 10 T C 0.949 175.411 174.700 -0.398 0.000 1.040 10 T CA -0.648 61.218 62.100 -0.389 0.000 1.010 10 T CB 1.104 70.003 68.868 0.051 0.000 1.177 10 T HN 0.366 nan 8.240 nan 0.000 0.546 11 K N 0.176 120.399 120.400 -0.295 0.000 2.360 11 K HA 0.038 4.357 4.320 -0.001 0.000 0.201 11 K C 1.774 178.234 176.600 -0.234 0.000 1.046 11 K CA 0.908 57.061 56.287 -0.223 0.000 0.945 11 K CB -0.061 32.370 32.500 -0.115 0.000 0.750 11 K HN 0.425 nan 8.250 nan 0.000 0.464 12 S N -0.449 115.093 115.700 -0.264 0.000 2.524 12 S HA 0.229 4.698 4.470 -0.001 0.000 0.215 12 S C 0.397 174.295 174.600 -1.170 0.000 0.986 12 S CA 0.174 58.087 58.200 -0.479 0.000 0.911 12 S CB 1.125 64.214 63.200 -0.184 0.000 0.805 12 S HN 0.541 nan 8.310 nan 0.000 0.501 13 G N 1.179 109.508 108.800 -0.784 0.000 2.359 13 G HA2 0.101 4.061 3.960 -0.001 0.000 0.303 13 G HA3 0.101 4.061 3.960 -0.001 0.000 0.303 13 G C -1.854 173.011 174.900 -0.058 0.000 1.293 13 G CA -1.158 43.504 45.100 -0.729 0.000 0.964 13 G HN 0.122 nan 8.290 nan 0.000 0.531 14 K N -0.469 120.083 120.400 0.252 0.000 2.143 14 K HA 0.669 4.989 4.320 -0.001 0.000 0.272 14 K C 0.178 177.141 176.600 0.605 0.000 1.001 14 K CA -0.551 55.938 56.287 0.335 0.000 0.915 14 K CB 2.008 34.650 32.500 0.236 0.000 1.047 14 K HN 1.079 nan 8.250 nan 0.000 0.458 15 V N -0.456 119.747 119.914 0.481 0.000 2.876 15 V HA 0.636 4.756 4.120 -0.001 0.000 0.312 15 V C -1.025 175.371 176.094 0.503 0.000 1.085 15 V CA -1.116 61.520 62.300 0.561 0.000 0.945 15 V CB 1.781 33.982 31.823 0.630 0.000 1.017 15 V HN 0.745 nan 8.190 nan 0.000 0.428 16 M N 4.118 123.979 119.600 0.434 0.000 2.125 16 M HA 0.833 5.313 4.480 -0.001 0.000 0.321 16 M C 0.178 176.577 176.300 0.165 0.000 0.983 16 M CA 0.029 55.503 55.300 0.290 0.000 0.934 16 M CB 0.779 33.470 32.600 0.152 0.000 1.542 16 M HN 1.160 nan 8.290 nan 0.000 0.424 17 G N 1.643 110.385 108.800 -0.096 0.000 2.510 17 G HA2 0.602 4.562 3.960 -0.001 0.000 0.280 17 G HA3 0.602 4.562 3.960 -0.001 0.000 0.280 17 G C -0.958 173.718 174.900 -0.373 0.000 1.386 17 G CA -0.260 44.450 45.100 -0.650 0.000 1.047 17 G HN 0.707 nan 8.290 nan 0.000 0.527 18 T N -1.838 112.471 114.554 -0.408 0.000 2.909 18 T HA 0.524 4.874 4.350 -0.001 0.000 0.299 18 T C -0.630 173.945 174.700 -0.208 0.000 1.073 18 T CA -0.726 61.231 62.100 -0.238 0.000 0.999 18 T CB 1.577 70.331 68.868 -0.190 0.000 1.098 18 T HN 0.599 nan 8.240 nan 0.000 0.477 19 R N 2.731 123.155 120.500 -0.128 0.000 2.265 19 R HA 0.629 4.969 4.340 -0.001 0.000 0.314 19 R C -0.369 175.920 176.300 -0.018 0.000 1.053 19 R CA -0.523 55.535 56.100 -0.069 0.000 0.931 19 R CB 0.483 30.735 30.300 -0.080 0.000 1.024 19 R HN 0.568 nan 8.270 nan 0.000 0.457 20 V N 2.716 122.650 119.914 0.033 0.000 2.628 20 V HA 0.725 4.845 4.120 -0.001 0.000 0.306 20 V C -2.571 173.565 176.094 0.069 0.000 1.045 20 V CA -2.630 59.695 62.300 0.042 0.000 0.905 20 V CB 1.768 33.606 31.823 0.025 0.000 0.997 20 V HN 0.783 nan 8.190 nan 0.000 0.436 21 P HA 0.502 nan 4.420 nan 0.000 0.282 21 P C -1.057 176.109 177.300 -0.223 0.000 1.249 21 P CA -0.330 62.685 63.100 -0.142 0.000 0.806 21 P CB 1.694 33.326 31.700 -0.114 0.000 0.984 22 V N 3.037 122.734 119.914 -0.361 0.000 2.624 22 V HA 0.156 4.276 4.120 -0.001 0.000 0.294 22 V C 0.573 176.391 176.094 -0.460 0.000 1.077 22 V CA -0.916 61.141 62.300 -0.405 0.000 0.905 22 V CB 1.133 32.615 31.823 -0.568 0.000 1.025 22 V HN 0.479 nan 8.190 nan 0.000 0.440 23 L N 4.079 125.178 121.223 -0.206 0.000 3.854 23 L HA -0.273 4.067 4.340 -0.001 0.000 0.460 23 L C 1.144 177.886 176.870 -0.214 0.000 1.228 23 L CA 0.829 55.579 54.840 -0.151 0.000 0.760 23 L CB -1.376 40.633 42.059 -0.083 0.000 1.597 23 L HN 1.502 nan 8.230 nan 0.000 0.852 24 S N -3.069 112.496 115.700 -0.225 0.000 3.641 24 S HA -0.223 4.246 4.470 -0.001 0.000 0.346 24 S C 0.151 174.569 174.600 -0.303 0.000 1.074 24 S CA 1.244 59.309 58.200 -0.225 0.000 1.026 24 S CB -1.305 61.827 63.200 -0.113 0.000 0.908 24 S HN 0.975 nan 8.310 nan 0.000 0.479 25 S N -0.102 115.305 115.700 -0.489 0.000 2.998 25 S HA 0.820 5.289 4.470 -0.001 0.000 0.321 25 S C -1.410 172.765 174.600 -0.708 0.000 1.171 25 S CA -0.404 57.535 58.200 -0.435 0.000 0.882 25 S CB 1.218 64.257 63.200 -0.269 0.000 1.301 25 S HN 0.705 nan 8.310 nan 0.000 0.629 26 H N -0.080 118.938 119.070 -0.088 0.000 3.046 26 H HA 0.591 5.147 4.556 -0.001 0.000 0.361 26 H C -1.187 174.165 175.328 0.040 0.000 1.235 26 H CA -0.411 55.608 56.048 -0.047 0.000 1.146 26 H CB 1.367 31.120 29.762 -0.015 0.000 1.859 26 H HN 0.674 nan 8.280 nan 0.000 0.548 27 I N -1.591 119.086 120.570 0.179 0.000 3.191 27 I HA 0.576 4.745 4.170 -0.001 0.000 0.313 27 I C -0.392 175.819 176.117 0.157 0.000 1.193 27 I CA -0.790 60.634 61.300 0.206 0.000 0.968 27 I CB 1.771 39.929 38.000 0.264 0.000 1.262 27 I HN 0.365 nan 8.210 nan 0.000 0.456 28 S N 1.201 116.999 115.700 0.163 0.000 2.617 28 S HA 0.928 5.397 4.470 -0.001 0.000 0.283 28 S C -0.296 174.305 174.600 0.001 0.000 1.189 28 S CA -0.363 57.855 58.200 0.030 0.000 1.036 28 S CB 1.417 64.654 63.200 0.062 0.000 1.014 28 S HN 1.052 nan 8.310 nan 0.000 0.522 29 A N 1.639 124.289 122.820 -0.283 0.000 2.393 29 A HA 0.781 5.100 4.320 -0.001 0.000 0.306 29 A C -1.464 175.795 177.584 -0.541 0.000 1.050 29 A CA -0.652 51.143 52.037 -0.402 0.000 0.724 29 A CB 0.576 19.272 19.000 -0.508 0.000 1.248 29 A HN 0.638 nan 8.150 nan 0.000 0.424 30 F N 2.525 122.332 119.950 -0.238 0.000 2.382 30 F HA 0.526 5.052 4.527 -0.000 0.000 0.361 30 F C -0.137 175.536 175.800 -0.211 0.000 1.109 30 F CA -0.336 57.606 58.000 -0.097 0.000 1.031 30 F CB 1.457 40.494 39.000 0.062 0.000 1.234 30 F HN 0.375 nan 8.300 nan 0.000 0.445 31 L N 2.014 123.199 121.223 -0.064 0.000 2.331 31 L HA 0.732 5.071 4.340 -0.001 0.000 0.275 31 L C 0.952 177.853 176.870 0.051 0.000 1.022 31 L CA -1.158 53.636 54.840 -0.076 0.000 0.812 31 L CB 1.643 43.581 42.059 -0.201 0.000 1.257 31 L HN 0.813 nan 8.230 nan 0.000 0.435 32 G N 2.530 111.382 108.800 0.087 0.000 2.273 32 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.280 32 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.280 32 G C -0.091 174.877 174.900 0.113 0.000 1.047 32 G CA -0.210 44.944 45.100 0.090 0.000 0.869 32 G HN 0.464 nan 8.290 nan 0.000 0.502 33 I N 2.207 122.765 120.570 -0.020 0.000 2.471 33 I HA 0.219 4.389 4.170 -0.001 0.000 0.286 33 I C -1.267 174.613 176.117 -0.395 0.000 1.079 33 I CA -2.049 59.053 61.300 -0.329 0.000 1.398 33 I CB 1.151 38.965 38.000 -0.310 0.000 1.403 33 I HN 0.018 nan 8.210 nan 0.000 0.530 34 P HA 0.075 nan 4.420 nan 0.000 0.280 34 P C -0.416 176.491 177.300 -0.656 0.000 1.244 34 P CA -0.033 62.542 63.100 -0.874 0.000 0.784 34 P CB 0.740 31.868 31.700 -0.953 0.000 0.913 35 F N 0.533 120.151 119.950 -0.554 0.000 2.746 35 F HA 0.748 5.274 4.527 -0.001 0.000 0.320 35 F C -0.117 175.587 175.800 -0.161 0.000 1.097 35 F CA -1.000 56.760 58.000 -0.400 0.000 1.195 35 F CB 0.041 38.771 39.000 -0.450 0.000 1.056 35 F HN 0.367 nan 8.300 nan 0.000 0.562 36 A N -0.044 122.411 122.820 -0.610 0.000 2.606 36 A HA 0.612 4.932 4.320 -0.001 0.000 0.293 36 A C -0.935 176.470 177.584 -0.299 0.000 1.082 36 A CA -0.744 51.098 52.037 -0.325 0.000 0.685 36 A CB 1.095 19.879 19.000 -0.359 0.000 1.284 36 A HN 0.043 nan 8.150 nan 0.000 0.408 37 E N 1.088 121.210 120.200 -0.130 0.000 2.392 37 E HA 0.273 4.622 4.350 -0.001 0.000 0.264 37 E C -2.323 174.202 176.600 -0.126 0.000 1.024 37 E CA -1.401 54.946 56.400 -0.087 0.000 0.903 37 E CB 0.167 29.857 29.700 -0.017 0.000 0.963 37 E HN 0.238 nan 8.360 nan 0.000 0.432 38 P HA -0.001 nan 4.420 nan 0.000 0.260 38 P C -2.245 175.017 177.300 -0.063 0.000 1.185 38 P CA -0.621 62.426 63.100 -0.088 0.000 0.763 38 P CB 0.000 31.687 31.700 -0.022 0.000 0.776 39 P HA 0.025 nan 4.420 nan 0.000 0.225 39 P C -0.398 176.870 177.300 -0.052 0.000 1.813 39 P CA 0.104 63.174 63.100 -0.050 0.000 1.013 39 P CB -0.026 31.648 31.700 -0.043 0.000 1.961 40 V N -1.709 118.180 119.914 -0.042 0.000 3.166 40 V HA 0.916 5.036 4.120 -0.001 0.000 0.317 40 V C 0.873 176.946 176.094 -0.034 0.000 1.136 40 V CA 0.045 62.320 62.300 -0.042 0.000 1.035 40 V CB 0.880 32.686 31.823 -0.028 0.000 1.110 40 V HN 0.590 nan 8.190 nan 0.000 0.450 41 G N 1.091 109.871 108.800 -0.033 0.000 2.611 41 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.301 41 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.301 41 G C 0.956 175.841 174.900 -0.024 0.000 1.233 41 G CA 1.576 46.664 45.100 -0.020 0.000 0.993 41 G HN 2.205 nan 8.290 nan 0.000 0.553 42 N N -0.132 118.566 118.700 -0.002 0.000 2.585 42 N HA 0.084 4.824 4.740 -0.001 0.000 0.188 42 N C 2.269 177.785 175.510 0.010 0.000 1.102 42 N CA 2.360 55.417 53.050 0.013 0.000 0.920 42 N CB -0.471 38.029 38.487 0.022 0.000 0.963 42 N HN 0.639 nan 8.380 nan 0.000 0.447 43 M N -0.457 119.137 119.600 -0.010 0.000 2.514 43 M HA 0.065 4.545 4.480 -0.001 0.000 0.258 43 M C 1.196 177.473 176.300 -0.038 0.000 1.119 43 M CA 0.037 55.331 55.300 -0.009 0.000 1.111 43 M CB -0.266 32.327 32.600 -0.012 0.000 1.390 43 M HN 0.358 nan 8.290 nan 0.000 0.475 44 R N 0.929 121.356 120.500 -0.122 0.000 2.537 44 R HA -0.109 4.230 4.340 -0.001 0.000 0.281 44 R C -0.404 175.724 176.300 -0.286 0.000 0.988 44 R CA 0.733 56.638 56.100 -0.325 0.000 1.077 44 R CB 0.124 30.071 30.300 -0.589 0.000 0.932 44 R HN 0.232 nan 8.270 nan 0.000 0.409 45 F N -0.977 118.986 119.950 0.022 0.000 2.502 45 F HA -0.297 4.230 4.527 -0.001 0.000 0.480 45 F C 0.626 176.421 175.800 -0.009 0.000 0.543 45 F CA 1.498 59.488 58.000 -0.017 0.000 1.350 45 F CB -1.593 37.386 39.000 -0.035 0.000 1.999 45 F HN 0.677 nan 8.300 nan 0.000 0.267 46 R N 1.692 122.279 120.500 0.146 0.000 2.543 46 R HA 0.567 4.907 4.340 -0.001 0.000 0.268 46 R C 0.481 176.821 176.300 0.067 0.000 1.067 46 R CA -0.628 55.532 56.100 0.099 0.000 1.142 46 R CB 0.760 31.105 30.300 0.076 0.000 1.110 46 R HN 0.103 nan 8.270 nan 0.000 0.549 47 R N 2.231 122.769 120.500 0.064 0.000 2.697 47 R HA 0.053 4.393 4.340 -0.001 0.000 0.265 47 R C -1.901 174.434 176.300 0.058 0.000 1.009 47 R CA -0.835 55.303 56.100 0.063 0.000 1.099 47 R CB 0.013 30.353 30.300 0.067 0.000 0.965 47 R HN 0.555 nan 8.270 nan 0.000 0.428 48 P HA 0.121 nan 4.420 nan 0.000 0.277 48 P C -0.883 176.457 177.300 0.067 0.000 1.240 48 P CA -0.153 62.985 63.100 0.063 0.000 0.798 48 P CB 0.990 32.751 31.700 0.102 0.000 0.979 49 E N 2.177 122.406 120.200 0.047 0.000 2.195 49 E HA 0.435 4.785 4.350 -0.001 0.000 0.271 49 E C -2.243 174.395 176.600 0.064 0.000 0.923 49 E CA -2.738 53.694 56.400 0.054 0.000 0.790 49 E CB 0.618 30.341 29.700 0.038 0.000 1.155 49 E HN 0.331 nan 8.360 nan 0.000 0.402 50 P HA 0.011 nan 4.420 nan 0.000 0.268 50 P C -0.557 176.804 177.300 0.102 0.000 1.205 50 P CA -0.355 62.822 63.100 0.128 0.000 0.771 50 P CB 0.544 32.325 31.700 0.135 0.000 0.858 51 K N 2.771 123.238 120.400 0.113 0.000 2.416 51 K HA 0.063 4.383 4.320 -0.001 0.000 0.283 51 K C -0.210 176.489 176.600 0.165 0.000 1.037 51 K CA 0.079 56.430 56.287 0.106 0.000 0.995 51 K CB 0.003 32.558 32.500 0.091 0.000 0.938 51 K HN 0.062 nan 8.250 nan 0.000 0.475 52 K N 5.966 126.458 120.400 0.153 0.000 2.451 52 K HA 0.123 4.443 4.320 -0.001 0.000 0.280 52 K C -2.226 174.486 176.600 0.187 0.000 1.020 52 K CA -1.184 55.189 56.287 0.142 0.000 1.008 52 K CB -0.033 32.546 32.500 0.132 0.000 0.917 52 K HN 0.678 nan 8.250 nan 0.000 0.478 53 P HA 0.085 nan 4.420 nan 0.000 0.267 53 P C -0.760 176.564 177.300 0.041 0.000 1.200 53 P CA -0.118 62.916 63.100 -0.110 0.000 0.772 53 P CB 0.279 31.878 31.700 -0.169 0.000 0.855 54 W N 0.984 122.366 121.300 0.137 0.000 2.719 54 W HA 0.700 5.359 4.660 -0.000 0.000 0.352 54 W C -0.684 175.910 176.519 0.124 0.000 1.085 54 W CA -0.829 56.610 57.345 0.157 0.000 1.187 54 W CB 0.130 29.750 29.460 0.267 0.000 1.417 54 W HN 0.349 nan 8.180 nan 0.000 0.557 55 S N 1.369 117.234 115.700 0.275 0.000 2.745 55 S HA 0.897 5.366 4.470 -0.001 0.000 0.292 55 S C 0.468 175.250 174.600 0.303 0.000 1.133 55 S CA -0.148 58.156 58.200 0.173 0.000 0.998 55 S CB 0.833 64.095 63.200 0.104 0.000 1.087 55 S HN 2.069 nan 8.310 nan 0.000 0.551 56 G N -0.853 108.072 108.800 0.207 0.000 2.741 56 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.222 56 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.222 56 G C -0.938 174.146 174.900 0.307 0.000 1.364 56 G CA -0.387 44.836 45.100 0.205 0.000 0.866 56 G HN 1.516 nan 8.290 nan 0.000 0.555 57 V N 0.905 120.955 119.914 0.227 0.000 2.384 57 V HA 0.470 4.590 4.120 -0.001 0.000 0.287 57 V C 0.327 176.529 176.094 0.180 0.000 1.020 57 V CA -0.576 61.880 62.300 0.259 0.000 0.850 57 V CB 1.697 33.617 31.823 0.161 0.000 0.987 57 V HN 0.720 nan 8.190 nan 0.000 0.436 58 W N 5.369 126.733 121.300 0.106 0.000 2.253 58 W HA 0.187 4.847 4.660 -0.000 0.000 0.322 58 W C 0.259 176.759 176.519 -0.031 0.000 1.342 58 W CA -0.270 56.986 57.345 -0.148 0.000 1.218 58 W CB 0.769 29.956 29.460 -0.454 0.000 1.205 58 W HN 0.600 nan 8.180 nan 0.000 0.551 59 N N 4.530 123.009 118.700 -0.368 0.000 2.401 59 N HA 0.227 4.967 4.740 -0.001 0.000 0.255 59 N C -0.488 175.081 175.510 0.098 0.000 1.110 59 N CA 0.189 53.162 53.050 -0.129 0.000 0.949 59 N CB 0.920 39.261 38.487 -0.245 0.000 1.110 59 N HN 0.376 nan 8.380 nan 0.000 0.490 60 A N 2.697 125.654 122.820 0.227 0.000 3.041 60 A HA 0.202 4.521 4.320 -0.001 0.000 0.307 60 A C 0.967 178.567 177.584 0.027 0.000 1.116 60 A CA -0.411 51.768 52.037 0.237 0.000 1.001 60 A CB -0.444 18.783 19.000 0.377 0.000 1.112 60 A HN 0.617 nan 8.150 nan 0.000 0.556 61 S N -0.957 114.718 115.700 -0.041 0.000 2.523 61 S HA 0.175 4.645 4.470 -0.001 0.000 0.217 61 S C 0.737 175.244 174.600 -0.155 0.000 0.996 61 S CA 0.618 58.744 58.200 -0.123 0.000 0.921 61 S CB -0.221 62.913 63.200 -0.110 0.000 0.829 61 S HN 0.870 nan 8.310 nan 0.000 0.495 62 T N -0.933 113.548 114.554 -0.121 0.000 2.906 62 T HA 0.639 4.989 4.350 -0.001 0.000 0.295 62 T C -0.765 173.894 174.700 -0.068 0.000 1.061 62 T CA -0.752 61.267 62.100 -0.136 0.000 1.000 62 T CB 0.711 69.527 68.868 -0.087 0.000 1.103 62 T HN 0.063 nan 8.240 nan 0.000 0.486 63 Y N 2.815 123.077 120.300 -0.063 0.000 2.757 63 Y HA 0.298 4.848 4.550 -0.001 0.000 0.344 63 Y C -1.382 174.456 175.900 -0.102 0.000 1.263 63 Y CA -1.062 57.003 58.100 -0.058 0.000 1.493 63 Y CB 0.031 38.476 38.460 -0.025 0.000 1.342 63 Y HN 0.564 nan 8.280 nan 0.000 0.627 64 P HA 0.157 nan 4.420 nan 0.000 0.287 64 P C -0.802 176.432 177.300 -0.110 0.000 1.296 64 P CA -0.648 62.350 63.100 -0.171 0.000 0.811 64 P CB 1.024 32.520 31.700 -0.340 0.000 1.211 65 N N 0.281 118.886 118.700 -0.158 0.000 2.415 65 N HA 0.083 4.822 4.740 -0.001 0.000 0.248 65 N C 0.057 175.540 175.510 -0.046 0.000 1.271 65 N CA 0.334 53.332 53.050 -0.086 0.000 0.913 65 N CB -0.207 38.236 38.487 -0.074 0.000 1.129 65 N HN 0.415 nan 8.380 nan 0.000 0.444 66 N N -0.641 118.018 118.700 -0.067 0.000 2.489 66 N HA 0.305 5.045 4.740 -0.001 0.000 0.284 66 N C -0.359 175.105 175.510 -0.076 0.000 1.158 66 N CA -0.709 52.295 53.050 -0.076 0.000 0.965 66 N CB 0.977 39.386 38.487 -0.129 0.000 1.195 66 N HN 0.406 nan 8.380 nan 0.000 0.506 67 c N 1.062 119.619 118.600 -0.073 0.000 2.700 67 c HA 0.034 4.604 4.570 -0.001 0.000 0.397 67 c C 0.682 174.670 174.090 -0.171 0.000 1.301 67 c CA -0.552 55.709 56.329 -0.112 0.000 2.219 67 c CB -0.104 42.364 42.510 -0.070 0.000 2.699 67 c HN 0.536 nan 8.230 nan 0.000 0.669 68 Q N 2.441 122.052 119.800 -0.316 0.000 2.274 68 Q HA 0.180 4.520 4.340 -0.001 0.000 0.280 68 Q C -0.041 175.876 176.000 -0.138 0.000 1.047 68 Q CA 0.987 56.586 55.803 -0.340 0.000 0.907 68 Q CB 0.377 28.658 28.738 -0.763 0.000 1.171 68 Q HN 0.859 nan 8.270 nan 0.000 0.381 69 Q N 1.460 121.261 119.800 0.002 0.000 2.534 69 Q HA 0.342 4.681 4.340 -0.001 0.000 0.290 69 Q C -1.226 174.887 176.000 0.189 0.000 0.991 69 Q CA -1.035 54.856 55.803 0.147 0.000 0.783 69 Q CB 0.856 29.644 28.738 0.082 0.000 1.470 69 Q HN 0.450 nan 8.270 nan 0.000 0.406 70 Y N 0.895 121.289 120.300 0.157 0.000 2.597 70 Y HA 0.299 4.849 4.550 -0.001 0.000 0.336 70 Y C -0.883 175.059 175.900 0.069 0.000 1.216 70 Y CA 0.372 58.527 58.100 0.092 0.000 1.463 70 Y CB 0.885 39.361 38.460 0.026 0.000 1.303 70 Y HN 0.445 nan 8.280 nan 0.000 0.576 71 V N 6.588 126.191 119.914 -0.519 0.000 2.384 71 V HA 0.120 4.239 4.120 -0.001 0.000 0.287 71 V C -0.630 175.218 176.094 -0.410 0.000 1.020 71 V CA -1.080 61.036 62.300 -0.306 0.000 0.850 71 V CB 1.436 33.132 31.823 -0.211 0.000 0.987 71 V HN 0.764 nan 8.190 nan 0.000 0.436 72 D N 3.795 124.163 120.400 -0.054 0.000 2.401 72 D HA 0.083 4.723 4.640 -0.001 0.000 0.254 72 D C 0.590 176.923 176.300 0.055 0.000 1.192 72 D CA 0.520 54.587 54.000 0.111 0.000 0.885 72 D CB 0.906 41.880 40.800 0.290 0.000 1.147 72 D HN 0.675 nan 8.370 nan 0.000 0.478 73 E N 2.186 122.398 120.200 0.020 0.000 2.693 73 E HA 0.004 4.354 4.350 -0.001 0.000 0.214 73 E C 1.098 177.660 176.600 -0.063 0.000 0.990 73 E CA -0.273 56.118 56.400 -0.014 0.000 1.047 73 E CB 0.570 30.232 29.700 -0.063 0.000 1.039 73 E HN 0.461 nan 8.360 nan 0.000 0.475 74 Q N -0.406 119.321 119.800 -0.121 0.000 2.096 74 Q HA -0.103 4.237 4.340 -0.001 0.000 0.204 74 Q C 0.024 175.560 176.000 -0.775 0.000 0.982 74 Q CA 1.264 56.739 55.803 -0.548 0.000 0.850 74 Q CB 0.148 28.329 28.738 -0.928 0.000 0.901 74 Q HN 0.219 nan 8.270 nan 0.000 0.422 75 F N 0.202 120.226 119.950 0.122 0.000 2.531 75 F HA 0.354 4.881 4.527 -0.001 0.000 0.333 75 F C -2.142 173.738 175.800 0.133 0.000 1.292 75 F CA -2.917 55.133 58.000 0.084 0.000 1.184 75 F CB 0.819 39.859 39.000 0.066 0.000 1.426 75 F HN -0.163 nan 8.300 nan 0.000 0.559 76 P HA 0.087 nan 4.420 nan 0.000 0.260 76 P C 1.075 178.459 177.300 0.140 0.000 1.172 76 P CA 1.393 64.562 63.100 0.116 0.000 0.760 76 P CB 0.590 32.322 31.700 0.054 0.000 0.773 77 G N 2.686 111.555 108.800 0.114 0.000 2.220 77 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.269 77 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.269 77 G C 0.126 175.100 174.900 0.122 0.000 0.977 77 G CA -0.260 44.891 45.100 0.084 0.000 0.634 77 G HN 0.555 nan 8.290 nan 0.000 0.539 78 F N 3.215 123.169 119.950 0.008 0.000 2.506 78 F HA 0.470 4.997 4.527 -0.001 0.000 0.371 78 F C 1.709 177.451 175.800 -0.096 0.000 1.078 78 F CA -0.058 57.899 58.000 -0.071 0.000 1.195 78 F CB 0.954 39.919 39.000 -0.058 0.000 1.099 78 F HN 0.243 nan 8.300 nan 0.000 0.548 79 S N 3.591 118.922 115.700 -0.615 0.000 2.399 79 S HA -0.100 4.370 4.470 -0.001 0.000 0.231 79 S C 2.274 176.464 174.600 -0.682 0.000 1.022 79 S CA 0.806 58.676 58.200 -0.550 0.000 0.983 79 S CB -1.312 61.611 63.200 -0.462 0.000 0.803 79 S HN 0.845 nan 8.310 nan 0.000 0.480 80 G N 1.963 109.907 108.800 -1.427 0.000 2.505 80 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.220 80 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.220 80 G C 1.722 176.770 174.900 0.247 0.000 1.145 80 G CA 1.602 46.155 45.100 -0.912 0.000 0.761 80 G HN 0.860 nan 8.290 nan 0.000 0.571 81 S N -0.771 115.120 115.700 0.320 0.000 2.497 81 S HA 0.193 4.662 4.470 -0.001 0.000 0.218 81 S C 1.811 176.635 174.600 0.373 0.000 1.023 81 S CA 0.913 59.549 58.200 0.726 0.000 0.913 81 S CB 0.378 64.186 63.200 1.013 0.000 0.800 81 S HN 0.244 nan 8.310 nan 0.000 0.505 82 E N 2.778 123.052 120.200 0.124 0.000 2.150 82 E HA -0.047 4.302 4.350 -0.001 0.000 0.193 82 E C 2.101 178.633 176.600 -0.114 0.000 0.985 82 E CA 1.453 57.865 56.400 0.020 0.000 0.814 82 E CB -0.587 29.093 29.700 -0.033 0.000 0.752 82 E HN 0.814 nan 8.360 nan 0.000 0.466 83 M N -1.913 117.517 119.600 -0.283 0.000 2.530 83 M HA -0.101 4.379 4.480 -0.001 0.000 0.261 83 M C 0.924 176.816 176.300 -0.680 0.000 1.067 83 M CA 1.361 56.340 55.300 -0.535 0.000 1.071 83 M CB -0.416 31.742 32.600 -0.737 0.000 1.405 83 M HN 0.063 nan 8.290 nan 0.000 0.478 84 W N 0.598 121.789 121.300 -0.181 0.000 3.013 84 W HA 0.288 4.947 4.660 -0.001 0.000 0.280 84 W C 0.591 176.990 176.519 -0.200 0.000 1.249 84 W CA -0.885 56.323 57.345 -0.229 0.000 1.577 84 W CB -0.097 29.243 29.460 -0.200 0.000 1.057 84 W HN 0.095 nan 8.180 nan 0.000 0.613 85 N N 1.533 120.254 118.700 0.035 0.000 2.444 85 N HA 0.126 4.865 4.740 -0.001 0.000 0.255 85 N C -2.452 173.002 175.510 -0.093 0.000 1.255 85 N CA -1.300 51.741 53.050 -0.016 0.000 0.933 85 N CB -0.123 38.361 38.487 -0.006 0.000 1.143 85 N HN -0.338 nan 8.380 nan 0.000 0.453 86 P HA 0.066 nan 4.420 nan 0.000 0.265 86 P C 0.064 177.292 177.300 -0.120 0.000 1.193 86 P CA 0.010 63.032 63.100 -0.129 0.000 0.765 86 P CB 0.276 31.909 31.700 -0.112 0.000 0.823 87 N N 2.384 121.002 118.700 -0.138 0.000 2.282 87 N HA 0.105 4.845 4.740 -0.001 0.000 0.240 87 N C -0.030 175.427 175.510 -0.088 0.000 1.182 87 N CA -0.172 52.810 53.050 -0.113 0.000 0.874 87 N CB 0.388 38.797 38.487 -0.131 0.000 1.126 87 N HN 0.195 nan 8.380 nan 0.000 0.516 88 R N -0.569 119.877 120.500 -0.091 0.000 2.799 88 R HA 0.492 4.831 4.340 -0.001 0.000 0.270 88 R C -0.509 175.749 176.300 -0.070 0.000 1.010 88 R CA -0.447 55.611 56.100 -0.070 0.000 0.916 88 R CB 0.359 30.613 30.300 -0.077 0.000 1.228 88 R HN 0.262 nan 8.270 nan 0.000 0.469 89 E N 1.863 122.026 120.200 -0.062 0.000 2.415 89 E HA 0.214 4.564 4.350 -0.001 0.000 0.262 89 E C 0.088 176.645 176.600 -0.071 0.000 1.038 89 E CA 0.266 56.629 56.400 -0.062 0.000 0.921 89 E CB 0.366 30.033 29.700 -0.056 0.000 0.950 89 E HN 0.365 nan 8.360 nan 0.000 0.438 90 M N 1.415 120.970 119.600 -0.075 0.000 2.288 90 M HA 0.513 4.993 4.480 -0.001 0.000 0.334 90 M C 0.168 176.413 176.300 -0.092 0.000 1.150 90 M CA -0.195 55.051 55.300 -0.090 0.000 1.118 90 M CB 1.614 34.155 32.600 -0.097 0.000 1.501 90 M HN 0.558 nan 8.290 nan 0.000 0.462 91 S N -0.025 115.610 115.700 -0.109 0.000 2.543 91 S HA 0.200 4.670 4.470 -0.001 0.000 0.274 91 S C -0.040 174.476 174.600 -0.141 0.000 1.149 91 S CA -0.672 57.465 58.200 -0.105 0.000 0.866 91 S CB 1.436 64.600 63.200 -0.060 0.000 1.111 91 S HN 0.838 nan 8.310 nan 0.000 0.457 92 E N 0.953 121.056 120.200 -0.161 0.000 2.338 92 E HA -0.081 4.269 4.350 -0.001 0.000 0.197 92 E C -0.272 176.275 176.600 -0.087 0.000 1.007 92 E CA 0.521 56.810 56.400 -0.185 0.000 0.849 92 E CB 0.142 29.745 29.700 -0.160 0.000 0.774 92 E HN 0.487 nan 8.360 nan 0.000 0.506 93 D N 0.202 120.584 120.400 -0.030 0.000 2.453 93 D HA 0.006 4.646 4.640 -0.001 0.000 0.223 93 D C 0.013 176.404 176.300 0.152 0.000 1.183 93 D CA -0.255 53.775 54.000 0.050 0.000 0.933 93 D CB 0.145 40.995 40.800 0.084 0.000 1.038 93 D HN 0.133 nan 8.370 nan 0.000 0.513 94 c N 2.451 121.120 118.600 0.114 0.000 3.865 94 c HA 0.358 4.928 4.570 -0.001 0.000 0.297 94 c C 0.765 174.932 174.090 0.129 0.000 1.758 94 c CA -0.616 55.836 56.329 0.206 0.000 1.778 94 c CB -1.223 41.324 42.510 0.060 0.000 3.158 94 c HN 0.444 nan 8.230 nan 0.000 0.598 95 L N 2.625 123.676 121.223 -0.286 0.000 2.382 95 L HA 0.337 4.676 4.340 -0.001 0.000 0.259 95 L C -0.768 175.348 176.870 -1.257 0.000 1.291 95 L CA 0.622 55.066 54.840 -0.660 0.000 1.176 95 L CB -0.778 40.798 42.059 -0.804 0.000 1.373 95 L HN 0.394 nan 8.230 nan 0.000 0.426 96 Y N 1.761 121.941 120.300 -0.200 0.000 2.598 96 Y HA 0.676 5.225 4.550 -0.000 0.000 0.340 96 Y C -0.009 176.026 175.900 0.226 0.000 1.038 96 Y CA -1.258 56.787 58.100 -0.092 0.000 1.100 96 Y CB 1.857 40.270 38.460 -0.078 0.000 1.281 96 Y HN 0.178 nan 8.280 nan 0.000 0.488 97 L N -0.144 121.234 121.223 0.259 0.000 2.350 97 L HA 0.751 5.091 4.340 -0.001 0.000 0.260 97 L C -1.343 175.577 176.870 0.084 0.000 1.015 97 L CA -1.160 53.785 54.840 0.176 0.000 0.821 97 L CB 1.858 43.943 42.059 0.043 0.000 1.370 97 L HN 0.449 nan 8.230 nan 0.000 0.416 98 N N 2.048 120.811 118.700 0.106 0.000 2.284 98 N HA 0.700 5.439 4.740 -0.001 0.000 0.300 98 N C -1.273 174.206 175.510 -0.052 0.000 1.047 98 N CA -0.238 52.797 53.050 -0.025 0.000 0.821 98 N CB 2.708 41.176 38.487 -0.031 0.000 1.337 98 N HN 0.663 nan 8.380 nan 0.000 0.482 99 I N 0.416 120.874 120.570 -0.187 0.000 2.466 99 I HA 0.411 4.580 4.170 -0.001 0.000 0.289 99 I C -0.649 175.453 176.117 -0.025 0.000 1.026 99 I CA -0.735 60.543 61.300 -0.037 0.000 1.078 99 I CB 2.124 40.008 38.000 -0.193 0.000 1.249 99 I HN 0.237 nan 8.210 nan 0.000 0.429 100 W N 5.655 127.076 121.300 0.203 0.000 2.475 100 W HA 0.581 5.240 4.660 -0.001 0.000 0.317 100 W C -1.015 175.633 176.519 0.216 0.000 1.046 100 W CA -0.673 56.791 57.345 0.199 0.000 1.215 100 W CB 2.256 31.808 29.460 0.152 0.000 1.335 100 W HN 0.108 nan 8.180 nan 0.000 0.471 101 V N 5.111 125.293 119.914 0.446 0.000 2.487 101 V HA 0.272 4.392 4.120 -0.001 0.000 0.298 101 V C -1.982 174.302 176.094 0.317 0.000 1.028 101 V CA -2.315 60.212 62.300 0.379 0.000 0.860 101 V CB 1.928 34.034 31.823 0.472 0.000 0.991 101 V HN 0.262 nan 8.190 nan 0.000 0.427 102 P HA 0.106 nan 4.420 nan 0.000 0.269 102 P C -0.564 176.861 177.300 0.208 0.000 1.217 102 P CA 0.211 63.441 63.100 0.216 0.000 0.783 102 P CB 0.527 32.315 31.700 0.146 0.000 0.898 103 S N 1.316 117.136 115.700 0.200 0.000 2.561 103 S HA 0.554 5.024 4.470 -0.001 0.000 0.303 103 S C -2.519 172.167 174.600 0.144 0.000 1.110 103 S CA -1.534 56.768 58.200 0.171 0.000 1.034 103 S CB 0.195 63.500 63.200 0.174 0.000 1.010 103 S HN 0.248 nan 8.310 nan 0.000 0.482 104 P HA 0.174 nan 4.420 nan 0.000 0.272 104 P C -0.457 176.914 177.300 0.119 0.000 1.223 104 P CA -0.553 62.612 63.100 0.107 0.000 0.784 104 P CB 0.396 32.144 31.700 0.081 0.000 0.923 105 R N 2.489 123.069 120.500 0.132 0.000 2.504 105 R HA 0.058 4.398 4.340 -0.001 0.000 0.291 105 R C -1.905 174.462 176.300 0.113 0.000 0.974 105 R CA -0.750 55.439 56.100 0.148 0.000 1.077 105 R CB -0.440 29.951 30.300 0.151 0.000 0.926 105 R HN 0.376 nan 8.270 nan 0.000 0.407 106 P HA 0.090 nan 4.420 nan 0.000 0.275 106 P C -0.226 177.112 177.300 0.064 0.000 1.266 106 P CA -0.407 62.742 63.100 0.081 0.000 0.793 106 P CB 0.716 32.467 31.700 0.084 0.000 1.074 107 K N -0.769 119.655 120.400 0.041 0.000 2.240 107 K HA 0.177 4.496 4.320 -0.001 0.000 0.202 107 K C 0.545 177.147 176.600 0.004 0.000 1.053 107 K CA 0.937 57.236 56.287 0.021 0.000 0.973 107 K CB -0.297 32.211 32.500 0.013 0.000 0.924 107 K HN 0.295 nan 8.250 nan 0.000 0.477 108 S N 1.022 116.726 115.700 0.005 0.000 2.680 108 S HA 0.162 4.632 4.470 -0.001 0.000 0.140 108 S C -1.005 173.595 174.600 -0.000 0.000 1.357 108 S CA -0.323 57.871 58.200 -0.010 0.000 1.201 108 S CB 0.317 63.502 63.200 -0.026 0.000 1.547 108 S HN 0.166 nan 8.310 nan 0.000 0.411 109 T N 1.514 116.078 114.554 0.017 0.000 2.937 109 T HA 0.566 4.916 4.350 -0.001 0.000 0.283 109 T C 0.115 174.826 174.700 0.018 0.000 1.012 109 T CA -0.079 62.032 62.100 0.020 0.000 0.997 109 T CB 1.144 70.033 68.868 0.036 0.000 1.136 109 T HN 0.388 nan 8.240 nan 0.000 0.551 110 T N 2.278 116.838 114.554 0.011 0.000 2.908 110 T HA 0.309 4.658 4.350 -0.001 0.000 0.301 110 T C -0.253 174.465 174.700 0.030 0.000 1.019 110 T CA -0.166 61.937 62.100 0.004 0.000 1.152 110 T CB 0.096 68.955 68.868 -0.015 0.000 0.966 110 T HN 0.407 nan 8.240 nan 0.000 0.540 111 V N 5.214 125.150 119.914 0.037 0.000 2.513 111 V HA 0.516 4.636 4.120 -0.001 0.000 0.299 111 V C 0.029 176.168 176.094 0.075 0.000 1.035 111 V CA -0.822 61.522 62.300 0.073 0.000 0.889 111 V CB 1.736 33.609 31.823 0.085 0.000 0.988 111 V HN 0.835 nan 8.190 nan 0.000 0.440 112 M N 4.299 123.966 119.600 0.111 0.000 2.197 112 M HA 0.549 5.029 4.480 -0.001 0.000 0.301 112 M C -1.369 175.145 176.300 0.356 0.000 0.987 112 M CA -0.617 54.761 55.300 0.130 0.000 0.921 112 M CB 2.182 34.737 32.600 -0.074 0.000 1.569 112 M HN 0.360 nan 8.290 nan 0.000 0.431 113 V N 3.160 123.333 119.914 0.432 0.000 2.357 113 V HA 0.334 4.453 4.120 -0.001 0.000 0.284 113 V C -0.766 175.662 176.094 0.558 0.000 1.018 113 V CA -0.622 61.932 62.300 0.423 0.000 0.841 113 V CB 1.530 33.479 31.823 0.210 0.000 0.991 113 V HN 0.871 nan 8.190 nan 0.000 0.437 114 W N 7.018 128.474 121.300 0.260 0.000 2.316 114 W HA 0.624 5.284 4.660 -0.000 0.000 0.311 114 W C -1.300 175.137 176.519 -0.137 0.000 1.217 114 W CA -0.697 56.553 57.345 -0.158 0.000 1.199 114 W CB 1.135 30.539 29.460 -0.093 0.000 1.202 114 W HN 0.438 nan 8.180 nan 0.000 0.528 115 I N 9.143 129.135 120.570 -0.964 0.000 2.411 115 I HA 0.068 4.238 4.170 -0.001 0.000 0.284 115 I C -0.307 175.047 176.117 -1.272 0.000 1.012 115 I CA -1.147 59.635 61.300 -0.863 0.000 1.119 115 I CB 0.838 38.496 38.000 -0.568 0.000 1.261 115 I HN 0.298 nan 8.210 nan 0.000 0.448 116 Y N 4.718 124.544 120.300 -0.789 0.000 2.379 116 Y HA 0.679 5.229 4.550 -0.000 0.000 0.337 116 Y C 0.691 176.418 175.900 -0.288 0.000 1.238 116 Y CA -0.915 56.816 58.100 -0.615 0.000 1.405 116 Y CB -0.016 38.325 38.460 -0.199 0.000 1.310 116 Y HN 0.536 nan 8.280 nan 0.000 0.569 117 G N -0.374 108.427 108.800 0.002 0.000 2.543 117 G HA2 0.485 4.445 3.960 -0.001 0.000 0.267 117 G HA3 0.485 4.445 3.960 -0.001 0.000 0.267 117 G C 0.312 175.168 174.900 -0.073 0.000 1.406 117 G CA -0.902 44.148 45.100 -0.083 0.000 1.048 117 G HN 1.762 nan 8.290 nan 0.000 0.548 118 G N -2.882 105.730 108.800 -0.314 0.000 2.192 118 G HA2 0.398 4.358 3.960 -0.001 0.000 0.152 118 G HA3 0.398 4.358 3.960 -0.001 0.000 0.152 118 G C 1.067 175.440 174.900 -0.878 0.000 1.057 118 G CA 0.696 45.477 45.100 -0.531 0.000 0.748 118 G HN 2.331 nan 8.290 nan 0.000 0.488 119 G N -0.551 107.768 108.800 -0.802 0.000 2.187 119 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.261 119 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.261 119 G C 0.928 175.599 174.900 -0.382 0.000 1.000 119 G CA 0.865 45.297 45.100 -1.113 0.000 0.718 119 G HN 1.790 nan 8.290 nan 0.000 0.519 120 F N -3.460 116.407 119.950 -0.139 0.000 2.871 120 F HA -0.315 4.211 4.527 -0.000 0.000 0.326 120 F C 1.462 177.402 175.800 0.233 0.000 0.675 120 F CA 2.174 60.219 58.000 0.075 0.000 1.188 120 F CB -2.068 36.849 39.000 -0.138 0.000 1.567 120 F HN 0.908 nan 8.300 nan 0.000 0.325 121 Y N -1.090 119.355 120.300 0.241 0.000 2.453 121 Y HA 0.658 5.208 4.550 -0.001 0.000 0.247 121 Y C 0.641 176.651 175.900 0.184 0.000 1.124 121 Y CA 0.200 58.483 58.100 0.304 0.000 1.243 121 Y CB -0.040 38.608 38.460 0.313 0.000 1.213 121 Y HN 0.094 nan 8.280 nan 0.000 0.523 122 S N -0.705 114.723 115.700 -0.453 0.000 2.752 122 S HA 0.891 5.361 4.470 -0.001 0.000 0.284 122 S C -0.207 174.203 174.600 -0.316 0.000 1.189 122 S CA -0.523 57.473 58.200 -0.341 0.000 0.835 122 S CB 1.449 64.356 63.200 -0.490 0.000 1.192 122 S HN 1.329 nan 8.310 nan 0.000 0.506 123 G N -0.293 108.294 108.800 -0.356 0.000 2.528 123 G HA2 0.416 4.376 3.960 -0.001 0.000 0.681 123 G HA3 0.416 4.376 3.960 -0.001 0.000 0.681 123 G C -0.966 173.259 174.900 -1.125 0.000 1.340 123 G CA -0.321 44.398 45.100 -0.635 0.000 0.855 123 G HN 1.313 nan 8.290 nan 0.000 0.649 124 S N -0.811 114.219 115.700 -1.116 0.000 2.564 124 S HA 0.743 5.213 4.470 -0.001 0.000 0.274 124 S C 0.939 175.335 174.600 -0.340 0.000 1.124 124 S CA 0.087 57.843 58.200 -0.740 0.000 0.869 124 S CB 1.840 64.831 63.200 -0.348 0.000 1.105 124 S HN 1.971 nan 8.310 nan 0.000 0.472 125 S N -0.402 115.321 115.700 0.039 0.000 2.548 125 S HA -0.013 4.456 4.470 -0.001 0.000 0.215 125 S C 1.242 175.944 174.600 0.170 0.000 0.976 125 S CA 0.672 59.100 58.200 0.381 0.000 0.908 125 S CB -0.501 62.965 63.200 0.442 0.000 0.781 125 S HN 0.820 nan 8.310 nan 0.000 0.519 126 T N 0.167 114.616 114.554 -0.175 0.000 3.069 126 T HA 0.420 4.770 4.350 -0.001 0.000 0.252 126 T C 0.524 174.948 174.700 -0.460 0.000 1.053 126 T CA -0.555 61.141 62.100 -0.673 0.000 0.964 126 T CB -0.536 67.769 68.868 -0.939 0.000 1.005 126 T HN 0.309 nan 8.240 nan 0.000 0.532 127 L N 2.028 123.065 121.223 -0.311 0.000 2.499 127 L HA 0.138 4.477 4.340 -0.001 0.000 0.281 127 L C 1.285 177.919 176.870 -0.394 0.000 1.234 127 L CA -0.411 54.161 54.840 -0.446 0.000 0.839 127 L CB 0.336 41.910 42.059 -0.808 0.000 1.104 127 L HN 0.095 nan 8.230 nan 0.000 0.500 128 D N 1.011 121.197 120.400 -0.358 0.000 2.178 128 D HA -0.119 4.520 4.640 -0.001 0.000 0.201 128 D C 1.939 178.032 176.300 -0.345 0.000 0.980 128 D CA 1.161 55.011 54.000 -0.250 0.000 0.842 128 D CB -0.007 40.673 40.800 -0.200 0.000 0.948 128 D HN 0.515 nan 8.370 nan 0.000 0.472 129 V N -1.200 118.366 119.914 -0.581 0.000 3.305 129 V HA -0.125 3.995 4.120 -0.001 0.000 0.269 129 V C 1.158 176.814 176.094 -0.731 0.000 1.157 129 V CA 0.886 62.829 62.300 -0.595 0.000 1.157 129 V CB -1.091 30.305 31.823 -0.712 0.000 0.772 129 V HN 0.048 nan 8.190 nan 0.000 0.498 130 Y N 0.051 119.889 120.300 -0.771 0.000 2.524 130 Y HA 0.417 4.967 4.550 -0.000 0.000 0.266 130 Y C 1.145 176.596 175.900 -0.749 0.000 1.180 130 Y CA -1.690 55.646 58.100 -1.273 0.000 1.244 130 Y CB -0.889 37.179 38.460 -0.654 0.000 1.125 130 Y HN 0.275 nan 8.280 nan 0.000 0.524 131 N N 1.492 120.038 118.700 -0.256 0.000 2.423 131 N HA -0.033 4.707 4.740 -0.001 0.000 0.275 131 N C 1.373 176.642 175.510 -0.403 0.000 1.283 131 N CA 0.629 53.569 53.050 -0.183 0.000 0.932 131 N CB 1.072 39.546 38.487 -0.022 0.000 1.185 131 N HN 0.465 nan 8.380 nan 0.000 0.483 132 G N 3.538 111.544 108.800 -1.322 0.000 2.679 132 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.212 132 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.212 132 G C 1.468 175.703 174.900 -1.108 0.000 1.137 132 G CA 0.539 44.926 45.100 -1.189 0.000 0.787 132 G HN 0.752 nan 8.290 nan 0.000 0.534 133 K N -0.244 119.334 120.400 -1.371 0.000 2.103 133 K HA -0.166 4.154 4.320 -0.001 0.000 0.207 133 K C 1.853 178.215 176.600 -0.397 0.000 1.048 133 K CA 1.246 57.112 56.287 -0.702 0.000 0.930 133 K CB -0.613 31.581 32.500 -0.510 0.000 0.716 133 K HN 0.389 nan 8.250 nan 0.000 0.444 134 Y N 1.009 121.224 120.300 -0.142 0.000 2.200 134 Y HA -0.165 4.385 4.550 -0.001 0.000 0.290 134 Y C 2.446 178.335 175.900 -0.018 0.000 1.137 134 Y CA 0.711 58.789 58.100 -0.037 0.000 1.163 134 Y CB -0.336 38.078 38.460 -0.077 0.000 0.988 134 Y HN 0.041 nan 8.280 nan 0.000 0.518 135 L N 0.253 121.492 121.223 0.027 0.000 2.044 135 L HA -0.038 4.301 4.340 -0.001 0.000 0.205 135 L C 2.421 179.284 176.870 -0.011 0.000 1.075 135 L CA 1.790 56.597 54.840 -0.054 0.000 0.747 135 L CB -1.176 40.751 42.059 -0.220 0.000 0.903 135 L HN 0.141 nan 8.230 nan 0.000 0.435 136 A N -1.137 121.683 122.820 0.001 0.000 1.892 136 A HA -0.331 3.989 4.320 -0.001 0.000 0.218 136 A C 2.340 179.991 177.584 0.110 0.000 1.188 136 A CA 2.189 54.280 52.037 0.091 0.000 0.631 136 A CB -1.319 17.793 19.000 0.186 0.000 0.822 136 A HN 0.641 nan 8.150 nan 0.000 0.447 137 Y N 0.951 121.259 120.300 0.015 0.000 2.089 137 Y HA -0.201 4.349 4.550 -0.001 0.000 0.282 137 Y C 2.747 178.663 175.900 0.027 0.000 1.139 137 Y CA 2.576 60.692 58.100 0.026 0.000 1.123 137 Y CB -0.596 37.864 38.460 0.001 0.000 0.980 137 Y HN 0.309 nan 8.280 nan 0.000 0.493 138 T N 0.346 114.853 114.554 -0.079 0.000 2.833 138 T HA -0.135 4.215 4.350 -0.001 0.000 0.269 138 T C 1.196 175.815 174.700 -0.134 0.000 1.054 138 T CA 1.658 63.660 62.100 -0.164 0.000 1.135 138 T CB -0.118 68.752 68.868 0.002 0.000 0.869 138 T HN 0.373 nan 8.240 nan 0.000 0.466 139 E N 0.353 120.518 120.200 -0.058 0.000 2.498 139 E HA 0.134 4.484 4.350 -0.001 0.000 0.203 139 E C 0.397 176.991 176.600 -0.010 0.000 1.013 139 E CA 0.052 56.449 56.400 -0.005 0.000 0.927 139 E CB 0.288 30.005 29.700 0.029 0.000 1.012 139 E HN 0.477 nan 8.360 nan 0.000 0.482 140 E N 0.506 120.684 120.200 -0.036 0.000 2.340 140 E HA -0.171 4.178 4.350 -0.001 0.000 0.240 140 E C -0.870 175.749 176.600 0.032 0.000 1.154 140 E CA 0.516 56.913 56.400 -0.005 0.000 0.717 140 E CB -1.872 27.820 29.700 -0.014 0.000 1.250 140 E HN 0.116 nan 8.360 nan 0.000 0.386 141 V N -2.174 117.769 119.914 0.048 0.000 2.864 141 V HA 0.808 4.928 4.120 -0.001 0.000 0.314 141 V C 0.332 176.495 176.094 0.114 0.000 1.073 141 V CA -0.775 61.562 62.300 0.061 0.000 0.956 141 V CB 2.348 34.190 31.823 0.031 0.000 1.023 141 V HN 0.062 nan 8.190 nan 0.000 0.435 142 V N 4.622 124.613 119.914 0.129 0.000 2.389 142 V HA 0.336 4.456 4.120 -0.001 0.000 0.264 142 V C 0.013 176.229 176.094 0.204 0.000 1.049 142 V CA -0.033 62.377 62.300 0.183 0.000 0.932 142 V CB 0.883 32.804 31.823 0.163 0.000 1.011 142 V HN 0.788 nan 8.190 nan 0.000 0.475 143 L N 7.423 128.818 121.223 0.288 0.000 2.282 143 L HA 0.605 4.944 4.340 -0.001 0.000 0.288 143 L C -0.357 176.797 176.870 0.474 0.000 1.033 143 L CA 0.308 55.359 54.840 0.353 0.000 0.807 143 L CB 1.528 43.780 42.059 0.322 0.000 1.209 143 L HN 0.416 nan 8.230 nan 0.000 0.423 144 V N 3.623 123.791 119.914 0.424 0.000 2.555 144 V HA 0.642 4.761 4.120 -0.001 0.000 0.302 144 V C -0.319 176.064 176.094 0.482 0.000 1.038 144 V CA -0.499 62.036 62.300 0.391 0.000 0.887 144 V CB 1.942 33.911 31.823 0.244 0.000 0.991 144 V HN 0.870 nan 8.190 nan 0.000 0.434 145 S N 5.039 121.037 115.700 0.497 0.000 2.552 145 S HA 0.810 5.280 4.470 -0.001 0.000 0.314 145 S C -0.763 174.035 174.600 0.330 0.000 1.099 145 S CA -0.789 57.718 58.200 0.511 0.000 1.070 145 S CB 1.447 65.053 63.200 0.676 0.000 0.998 145 S HN 0.656 nan 8.310 nan 0.000 0.474 146 L N 0.935 122.281 121.223 0.205 0.000 2.440 146 L HA 0.984 5.324 4.340 -0.001 0.000 0.262 146 L C 0.169 177.163 176.870 0.207 0.000 1.072 146 L CA -0.660 54.255 54.840 0.124 0.000 0.798 146 L CB 0.176 42.186 42.059 -0.082 0.000 1.307 146 L HN 0.840 nan 8.230 nan 0.000 0.475 147 S N -1.476 114.399 115.700 0.292 0.000 2.667 147 S HA 0.914 5.384 4.470 -0.001 0.000 0.292 147 S C -1.239 173.591 174.600 0.384 0.000 1.126 147 S CA -0.486 57.919 58.200 0.341 0.000 0.881 147 S CB 1.592 65.041 63.200 0.416 0.000 1.132 147 S HN 1.226 nan 8.310 nan 0.000 0.492 148 Y N -1.936 118.468 120.300 0.174 0.000 2.565 148 Y HA 0.633 5.183 4.550 -0.000 0.000 0.330 148 Y C -0.818 175.224 175.900 0.236 0.000 1.150 148 Y CA -1.343 56.860 58.100 0.173 0.000 1.055 148 Y CB 0.634 39.148 38.460 0.090 0.000 1.337 148 Y HN 0.783 nan 8.280 nan 0.000 0.457 149 R N 2.041 122.677 120.500 0.226 0.000 2.538 149 R HA 0.463 4.803 4.340 -0.001 0.000 0.282 149 R C 0.017 176.496 176.300 0.297 0.000 1.009 149 R CA 0.209 56.408 56.100 0.164 0.000 1.063 149 R CB 0.649 31.022 30.300 0.121 0.000 0.945 149 R HN 0.705 nan 8.270 nan 0.000 0.414 150 V N 0.183 120.291 119.914 0.323 0.000 3.229 150 V HA 0.887 5.007 4.120 -0.001 0.000 0.310 150 V C 0.770 177.242 176.094 0.631 0.000 1.206 150 V CA -0.113 62.517 62.300 0.550 0.000 1.051 150 V CB 1.051 33.078 31.823 0.340 0.000 1.183 150 V HN 0.965 nan 8.190 nan 0.000 0.466 151 G N 0.106 109.337 108.800 0.719 0.000 2.578 151 G HA2 0.002 3.962 3.960 -0.001 0.000 0.275 151 G HA3 0.002 3.962 3.960 -0.001 0.000 0.275 151 G C 1.025 176.208 174.900 0.471 0.000 1.271 151 G CA 1.136 46.650 45.100 0.691 0.000 0.941 151 G HN 2.221 nan 8.290 nan 0.000 0.564 152 A N -1.290 121.490 122.820 -0.066 0.000 1.933 152 A HA 0.222 4.542 4.320 -0.001 0.000 0.218 152 A C 2.248 179.743 177.584 -0.149 0.000 1.175 152 A CA 2.501 54.118 52.037 -0.700 0.000 0.628 152 A CB -0.527 17.862 19.000 -1.017 0.000 0.814 152 A HN 0.971 nan 8.150 nan 0.000 0.444 153 F N 0.157 120.182 119.950 0.126 0.000 2.192 153 F HA -0.091 4.436 4.527 -0.001 0.000 0.301 153 F C 2.458 178.290 175.800 0.053 0.000 1.079 153 F CA 1.201 59.244 58.000 0.072 0.000 1.303 153 F CB -0.627 38.372 39.000 -0.002 0.000 1.024 153 F HN 0.298 nan 8.300 nan 0.000 0.494 154 G N -2.195 106.734 108.800 0.215 0.000 2.762 154 G HA2 0.042 4.002 3.960 -0.001 0.000 0.209 154 G HA3 0.042 4.002 3.960 -0.001 0.000 0.209 154 G C 0.763 175.204 174.900 -0.765 0.000 1.134 154 G CA 0.104 45.066 45.100 -0.231 0.000 0.781 154 G HN 0.343 nan 8.290 nan 0.000 0.528 155 F N -0.346 119.746 119.950 0.236 0.000 2.825 155 F HA 0.434 4.960 4.527 -0.001 0.000 0.322 155 F C 0.236 176.167 175.800 0.219 0.000 1.127 155 F CA -1.048 57.078 58.000 0.210 0.000 1.164 155 F CB 0.455 39.600 39.000 0.241 0.000 1.101 155 F HN -0.099 nan 8.300 nan 0.000 0.529 156 L N 2.332 123.632 121.223 0.129 0.000 2.559 156 L HA 0.433 4.772 4.340 -0.001 0.000 0.274 156 L C 0.192 177.096 176.870 0.057 0.000 1.205 156 L CA 0.195 55.025 54.840 -0.017 0.000 0.907 156 L CB 0.230 42.003 42.059 -0.477 0.000 1.153 156 L HN 0.178 nan 8.230 nan 0.000 0.490 157 A N 7.034 129.928 122.820 0.123 0.000 2.340 157 A HA 0.614 4.933 4.320 -0.001 0.000 0.297 157 A C -0.775 176.848 177.584 0.064 0.000 1.195 157 A CA -0.478 51.616 52.037 0.096 0.000 0.769 157 A CB 0.454 19.534 19.000 0.134 0.000 1.163 157 A HN 0.708 nan 8.150 nan 0.000 0.472 158 L N 3.639 124.886 121.223 0.041 0.000 2.506 158 L HA 0.235 4.575 4.340 -0.001 0.000 0.247 158 L C 0.099 177.020 176.870 0.086 0.000 1.141 158 L CA -0.806 54.058 54.840 0.039 0.000 0.973 158 L CB 0.208 42.255 42.059 -0.019 0.000 1.319 158 L HN 0.877 nan 8.230 nan 0.000 0.455 159 H N 1.663 120.742 119.070 0.016 0.000 3.115 159 H HA 0.171 4.726 4.556 -0.001 0.000 0.324 159 H C 1.217 176.556 175.328 0.019 0.000 1.007 159 H CA 1.603 57.666 56.048 0.025 0.000 1.385 159 H CB 0.818 30.598 29.762 0.030 0.000 1.351 159 H HN 0.688 nan 8.280 nan 0.000 0.592 160 G N 2.559 111.063 108.800 -0.495 0.000 2.308 160 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.221 160 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.221 160 G C 0.484 175.294 174.900 -0.150 0.000 1.032 160 G CA 0.403 45.297 45.100 -0.343 0.000 0.623 160 G HN 1.026 nan 8.290 nan 0.000 0.506 161 S N 0.044 115.694 115.700 -0.083 0.000 2.610 161 S HA 0.638 5.108 4.470 -0.001 0.000 0.273 161 S C 0.951 175.539 174.600 -0.020 0.000 1.274 161 S CA 0.311 58.489 58.200 -0.037 0.000 1.023 161 S CB 1.745 64.934 63.200 -0.018 0.000 0.962 161 S HN 0.189 nan 8.310 nan 0.000 0.523 162 Q N 0.919 120.718 119.800 -0.002 0.000 2.319 162 Q HA 0.215 4.555 4.340 -0.001 0.000 0.209 162 Q C 1.058 177.080 176.000 0.036 0.000 0.884 162 Q CA 0.253 56.066 55.803 0.015 0.000 0.938 162 Q CB 0.209 28.955 28.738 0.013 0.000 1.098 162 Q HN 0.732 nan 8.270 nan 0.000 0.517 163 E N 0.442 120.665 120.200 0.038 0.000 2.230 163 E HA 0.082 4.432 4.350 -0.001 0.000 0.192 163 E C 0.106 176.764 176.600 0.096 0.000 0.987 163 E CA 0.426 56.866 56.400 0.067 0.000 0.841 163 E CB 0.557 30.297 29.700 0.067 0.000 0.783 163 E HN 0.121 nan 8.360 nan 0.000 0.481 164 A N 1.491 124.342 122.820 0.053 0.000 3.300 164 A HA 0.284 4.603 4.320 -0.001 0.000 0.300 164 A C -2.096 175.505 177.584 0.027 0.000 1.099 164 A CA -0.855 51.203 52.037 0.034 0.000 0.846 164 A CB 0.682 19.607 19.000 -0.125 0.000 1.255 164 A HN -0.124 nan 8.150 nan 0.000 0.519 165 P HA 0.150 nan 4.420 nan 0.000 0.229 165 P C 0.908 178.280 177.300 0.121 0.000 1.160 165 P CA 1.803 64.956 63.100 0.088 0.000 0.777 165 P CB 0.238 31.989 31.700 0.085 0.000 0.814 166 G N 0.544 109.397 108.800 0.088 0.000 2.663 166 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.686 166 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.686 166 G C -0.155 174.779 174.900 0.058 0.000 1.288 166 G CA -0.291 44.868 45.100 0.099 0.000 0.836 166 G HN 0.107 nan 8.290 nan 0.000 0.584 167 N N -2.320 116.417 118.700 0.062 0.000 2.713 167 N HA -0.282 4.458 4.740 -0.001 0.000 0.251 167 N C 1.940 177.340 175.510 -0.183 0.000 1.117 167 N CA 2.520 55.544 53.050 -0.043 0.000 0.770 167 N CB -1.577 36.823 38.487 -0.145 0.000 1.137 167 N HN 1.934 nan 8.380 nan 0.000 0.566 168 V N -2.893 116.892 119.914 -0.216 0.000 2.626 168 V HA 0.019 4.139 4.120 -0.001 0.000 0.252 168 V C 2.244 178.225 176.094 -0.189 0.000 1.067 168 V CA 2.246 64.462 62.300 -0.141 0.000 1.081 168 V CB -0.809 30.983 31.823 -0.052 0.000 0.686 168 V HN 0.271 nan 8.190 nan 0.000 0.468 169 G N 0.212 108.691 108.800 -0.534 0.000 2.422 169 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.218 169 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.218 169 G C 1.536 176.453 174.900 0.027 0.000 1.140 169 G CA 1.011 45.959 45.100 -0.253 0.000 0.775 169 G HN 0.529 nan 8.290 nan 0.000 0.545 170 L N -0.145 121.057 121.223 -0.036 0.000 2.093 170 L HA 0.070 4.409 4.340 -0.001 0.000 0.208 170 L C 2.810 179.747 176.870 0.111 0.000 1.085 170 L CA 0.458 55.257 54.840 -0.068 0.000 0.755 170 L CB -0.263 41.430 42.059 -0.609 0.000 0.904 170 L HN 0.184 nan 8.230 nan 0.000 0.435 171 L N -0.645 120.637 121.223 0.099 0.000 2.141 171 L HA -0.204 4.135 4.340 -0.001 0.000 0.209 171 L C 2.149 179.117 176.870 0.164 0.000 1.094 171 L CA 0.791 55.746 54.840 0.191 0.000 0.763 171 L CB -0.634 41.516 42.059 0.151 0.000 0.908 171 L HN 0.282 nan 8.230 nan 0.000 0.437 172 D N 0.055 120.549 120.400 0.156 0.000 2.104 172 D HA -0.206 4.434 4.640 -0.001 0.000 0.194 172 D C 2.272 178.647 176.300 0.126 0.000 0.994 172 D CA 1.202 55.350 54.000 0.247 0.000 0.830 172 D CB -0.195 40.798 40.800 0.322 0.000 0.959 172 D HN 0.403 nan 8.370 nan 0.000 0.452 173 Q N 0.150 119.990 119.800 0.068 0.000 2.096 173 Q HA -0.147 4.192 4.340 -0.001 0.000 0.204 173 Q C 2.291 178.207 176.000 -0.140 0.000 0.982 173 Q CA 1.110 56.870 55.803 -0.073 0.000 0.850 173 Q CB -0.097 28.627 28.738 -0.023 0.000 0.901 173 Q HN 0.201 nan 8.270 nan 0.000 0.422 174 R N 0.479 120.986 120.500 0.011 0.000 2.096 174 R HA -0.153 4.187 4.340 -0.001 0.000 0.235 174 R C 2.173 178.453 176.300 -0.032 0.000 1.127 174 R CA 1.448 57.533 56.100 -0.024 0.000 0.968 174 R CB -0.123 30.271 30.300 0.157 0.000 0.861 174 R HN 0.276 nan 8.270 nan 0.000 0.440 175 M N -0.037 119.566 119.600 0.005 0.000 2.132 175 M HA -0.064 4.416 4.480 -0.001 0.000 0.263 175 M C 2.125 178.362 176.300 -0.105 0.000 1.065 175 M CA 1.977 57.308 55.300 0.052 0.000 1.122 175 M CB -0.026 32.707 32.600 0.221 0.000 1.365 175 M HN 0.261 nan 8.290 nan 0.000 0.411 176 A N 0.164 122.636 122.820 -0.581 0.000 1.972 176 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 176 A C 2.020 179.477 177.584 -0.213 0.000 1.169 176 A CA 1.424 52.944 52.037 -0.863 0.000 0.635 176 A CB -1.027 17.194 19.000 -1.299 0.000 0.810 176 A HN 0.589 nan 8.150 nan 0.000 0.446 177 L N -1.260 119.867 121.223 -0.160 0.000 2.156 177 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 177 L C 2.750 179.662 176.870 0.070 0.000 1.095 177 L CA 1.422 56.238 54.840 -0.040 0.000 0.770 177 L CB -0.312 41.680 42.059 -0.112 0.000 0.914 177 L HN 0.463 nan 8.230 nan 0.000 0.439 178 Q N -0.548 119.292 119.800 0.067 0.000 2.172 178 Q HA -0.230 4.109 4.340 -0.001 0.000 0.200 178 Q C 1.967 178.085 176.000 0.195 0.000 0.964 178 Q CA 1.628 57.494 55.803 0.105 0.000 0.855 178 Q CB -0.298 28.489 28.738 0.081 0.000 0.918 178 Q HN 0.478 nan 8.270 nan 0.000 0.444 179 W N -0.941 120.384 121.300 0.041 0.000 2.409 179 W HA -0.101 4.559 4.660 -0.001 0.000 0.299 179 W C 1.788 178.360 176.519 0.088 0.000 1.203 179 W CA 1.382 58.777 57.345 0.084 0.000 1.298 179 W CB -0.118 29.394 29.460 0.086 0.000 1.127 179 W HN -0.033 nan 8.180 nan 0.000 0.528 180 V N 0.182 120.326 119.914 0.383 0.000 2.332 180 V HA -0.388 3.732 4.120 -0.001 0.000 0.248 180 V C 2.546 178.690 176.094 0.083 0.000 1.055 180 V CA 2.365 64.814 62.300 0.247 0.000 1.038 180 V CB -1.281 30.665 31.823 0.204 0.000 0.651 180 V HN 0.351 nan 8.190 nan 0.000 0.450 181 H N 0.209 119.289 119.070 0.017 0.000 2.352 181 H HA -0.180 4.375 4.556 -0.001 0.000 0.299 181 H C 1.944 177.213 175.328 -0.099 0.000 1.097 181 H CA 2.087 58.117 56.048 -0.029 0.000 1.311 181 H CB 0.023 29.780 29.762 -0.009 0.000 1.377 181 H HN 0.431 nan 8.280 nan 0.000 0.504 182 D N -0.255 120.114 120.400 -0.052 0.000 2.234 182 D HA -0.044 4.596 4.640 -0.001 0.000 0.205 182 D C 1.158 177.286 176.300 -0.287 0.000 0.962 182 D CA 0.630 54.536 54.000 -0.156 0.000 0.855 182 D CB 0.040 40.777 40.800 -0.105 0.000 0.951 182 D HN 0.477 nan 8.370 nan 0.000 0.500 183 N N -0.260 118.195 118.700 -0.408 0.000 2.145 183 N HA 0.040 4.779 4.740 -0.001 0.000 0.219 183 N C 1.309 176.739 175.510 -0.134 0.000 1.266 183 N CA -0.128 52.716 53.050 -0.342 0.000 0.902 183 N CB 1.184 39.169 38.487 -0.837 0.000 1.078 183 N HN 0.014 nan 8.380 nan 0.000 0.513 184 I N 2.962 123.470 120.570 -0.104 0.000 2.700 184 I HA -0.224 3.946 4.170 -0.001 0.000 0.261 184 I C 2.587 178.704 176.117 -0.001 0.000 1.219 184 I CA 1.198 62.549 61.300 0.084 0.000 1.463 184 I CB -0.109 37.923 38.000 0.053 0.000 1.092 184 I HN 0.182 nan 8.210 nan 0.000 0.452 185 Q N -0.551 119.060 119.800 -0.315 0.000 2.124 185 Q HA -0.236 4.104 4.340 -0.001 0.000 0.202 185 Q C 1.849 177.616 176.000 -0.388 0.000 0.977 185 Q CA 1.696 57.246 55.803 -0.422 0.000 0.850 185 Q CB -0.884 27.456 28.738 -0.663 0.000 0.901 185 Q HN 0.409 nan 8.270 nan 0.000 0.429 186 F N -0.107 119.794 119.950 -0.083 0.000 2.451 186 F HA 0.068 4.594 4.527 -0.001 0.000 0.299 186 F C 0.984 176.592 175.800 -0.320 0.000 1.101 186 F CA 0.400 58.260 58.000 -0.233 0.000 1.436 186 F CB -0.163 38.614 39.000 -0.371 0.000 1.074 186 F HN 0.006 nan 8.300 nan 0.000 0.553 187 F N -0.753 119.212 119.950 0.026 0.000 2.653 187 F HA 0.429 4.956 4.527 -0.001 0.000 0.304 187 F C 1.753 177.576 175.800 0.038 0.000 1.092 187 F CA 0.335 58.341 58.000 0.011 0.000 1.279 187 F CB 0.163 39.151 39.000 -0.020 0.000 1.044 187 F HN 0.029 nan 8.300 nan 0.000 0.564 188 G N 0.192 109.077 108.800 0.142 0.000 2.175 188 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.244 188 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.244 188 G C 0.610 175.553 174.900 0.071 0.000 0.982 188 G CA -0.293 44.863 45.100 0.094 0.000 0.641 188 G HN 0.699 nan 8.290 nan 0.000 0.527 189 G N -0.154 108.693 108.800 0.077 0.000 2.395 189 G HA2 0.478 4.438 3.960 -0.001 0.000 0.283 189 G HA3 0.478 4.438 3.960 -0.001 0.000 0.283 189 G C -0.580 174.308 174.900 -0.020 0.000 1.178 189 G CA 0.367 45.495 45.100 0.046 0.000 0.837 189 G HN 0.278 nan 8.290 nan 0.000 0.518 190 D N 2.313 122.701 120.400 -0.019 0.000 2.365 190 D HA 0.223 4.863 4.640 -0.001 0.000 0.237 190 D C -0.961 175.306 176.300 -0.055 0.000 1.190 190 D CA -2.393 51.577 54.000 -0.050 0.000 0.867 190 D CB 1.712 42.490 40.800 -0.035 0.000 1.050 190 D HN 0.104 nan 8.370 nan 0.000 0.491 191 P HA -0.094 nan 4.420 nan 0.000 0.230 191 P C 0.738 178.008 177.300 -0.050 0.000 1.158 191 P CA 0.326 63.363 63.100 -0.104 0.000 0.769 191 P CB 0.325 31.862 31.700 -0.271 0.000 0.807 192 K N -0.862 119.506 120.400 -0.054 0.000 2.459 192 K HA 0.102 4.422 4.320 -0.001 0.000 0.193 192 K C 1.088 177.678 176.600 -0.017 0.000 1.030 192 K CA 0.760 57.030 56.287 -0.029 0.000 1.026 192 K CB -0.739 31.736 32.500 -0.042 0.000 0.809 192 K HN 0.314 nan 8.250 nan 0.000 0.504 193 T N 0.977 115.524 114.554 -0.011 0.000 3.624 193 T HA 0.232 4.581 4.350 -0.001 0.000 0.244 193 T C -0.559 174.152 174.700 0.019 0.000 1.063 193 T CA -0.263 61.831 62.100 -0.011 0.000 1.252 193 T CB 0.465 69.314 68.868 -0.031 0.000 1.021 193 T HN 0.203 nan 8.240 nan 0.000 0.590 194 V N 0.468 120.423 119.914 0.068 0.000 2.427 194 V HA 0.716 4.836 4.120 -0.001 0.000 0.286 194 V C -0.357 175.833 176.094 0.160 0.000 1.034 194 V CA -0.094 62.273 62.300 0.112 0.000 0.893 194 V CB 1.503 33.412 31.823 0.142 0.000 0.982 194 V HN 0.341 nan 8.190 nan 0.000 0.452 195 T N 8.546 123.175 114.554 0.125 0.000 2.749 195 T HA 0.552 4.901 4.350 -0.001 0.000 0.287 195 T C 0.028 174.838 174.700 0.182 0.000 0.970 195 T CA -0.122 62.067 62.100 0.148 0.000 0.980 195 T CB 0.601 69.507 68.868 0.064 0.000 0.924 195 T HN 0.861 nan 8.240 nan 0.000 0.456 196 I N 1.911 122.563 120.570 0.137 0.000 2.396 196 I HA 0.806 4.976 4.170 -0.001 0.000 0.292 196 I C -0.673 175.605 176.117 0.269 0.000 0.999 196 I CA -0.925 60.437 61.300 0.104 0.000 1.310 196 I CB 0.620 38.466 38.000 -0.258 0.000 1.404 196 I HN 0.454 nan 8.210 nan 0.000 0.496 197 F N 3.348 123.333 119.950 0.057 0.000 2.601 197 F HA 1.006 5.532 4.527 -0.001 0.000 0.309 197 F C -0.402 175.398 175.800 0.001 0.000 1.089 197 F CA -1.381 56.688 58.000 0.115 0.000 0.940 197 F CB 1.378 40.550 39.000 0.286 0.000 1.273 197 F HN 0.809 nan 8.300 nan 0.000 0.450 198 G N 1.266 109.944 108.800 -0.203 0.000 2.623 198 G HA2 0.499 4.459 3.960 -0.001 0.000 0.290 198 G HA3 0.499 4.459 3.960 -0.001 0.000 0.290 198 G C -2.480 172.185 174.900 -0.393 0.000 1.437 198 G CA -0.802 43.805 45.100 -0.822 0.000 0.798 198 G HN 0.858 nan 8.290 nan 0.000 0.488 199 E N 0.233 120.146 120.200 -0.477 0.000 2.238 199 E HA 0.630 4.980 4.350 -0.001 0.000 0.267 199 E C 0.614 177.154 176.600 -0.100 0.000 0.887 199 E CA 0.210 56.570 56.400 -0.066 0.000 0.769 199 E CB 2.121 31.934 29.700 0.189 0.000 1.187 199 E HN 0.740 nan 8.360 nan 0.000 0.416 200 S N 2.355 118.066 115.700 0.017 0.000 4.059 200 S HA -0.385 4.085 4.470 -0.001 0.000 0.624 200 S C 1.434 176.126 174.600 0.154 0.000 2.019 200 S CA 1.845 60.128 58.200 0.138 0.000 4.197 200 S CB -1.576 61.615 63.200 -0.015 0.000 0.215 200 S HN 0.949 nan 8.310 nan 0.000 0.609 201 A N 0.836 123.641 122.820 -0.025 0.000 2.032 201 A HA 0.082 4.402 4.320 -0.001 0.000 0.221 201 A C 2.357 179.711 177.584 -0.384 0.000 1.165 201 A CA 2.538 54.371 52.037 -0.340 0.000 0.645 201 A CB -1.470 16.902 19.000 -1.047 0.000 0.807 201 A HN 1.528 nan 8.150 nan 0.000 0.453 202 G N -0.866 107.752 108.800 -0.303 0.000 2.421 202 G HA2 0.117 4.077 3.960 -0.001 0.000 0.217 202 G HA3 0.117 4.077 3.960 -0.001 0.000 0.217 202 G C 1.438 176.163 174.900 -0.293 0.000 1.143 202 G CA 1.089 45.959 45.100 -0.383 0.000 0.784 202 G HN 0.658 nan 8.290 nan 0.000 0.541 203 G N 0.965 109.657 108.800 -0.179 0.000 2.403 203 G HA2 0.133 4.092 3.960 -0.001 0.000 0.216 203 G HA3 0.133 4.092 3.960 -0.001 0.000 0.216 203 G C 1.997 176.812 174.900 -0.141 0.000 1.154 203 G CA 1.365 46.396 45.100 -0.116 0.000 0.784 203 G HN 0.563 nan 8.290 nan 0.000 0.538 204 A N 0.906 123.669 122.820 -0.095 0.000 1.898 204 A HA 0.032 4.352 4.320 -0.001 0.000 0.216 204 A C 2.689 180.217 177.584 -0.094 0.000 1.181 204 A CA 2.178 54.136 52.037 -0.133 0.000 0.620 204 A CB -0.671 18.277 19.000 -0.087 0.000 0.819 204 A HN 0.287 nan 8.150 nan 0.000 0.442 205 S N -0.386 115.279 115.700 -0.059 0.000 2.359 205 S HA -0.168 4.302 4.470 -0.001 0.000 0.224 205 S C 1.926 176.456 174.600 -0.118 0.000 1.035 205 S CA 1.523 59.672 58.200 -0.085 0.000 1.018 205 S CB -0.592 62.510 63.200 -0.164 0.000 0.876 205 S HN 0.342 nan 8.310 nan 0.000 0.448 206 V N 1.552 121.398 119.914 -0.113 0.000 2.282 206 V HA -0.220 3.900 4.120 -0.001 0.000 0.249 206 V C 2.598 178.641 176.094 -0.085 0.000 1.057 206 V CA 2.103 64.342 62.300 -0.101 0.000 1.032 206 V CB -1.461 30.284 31.823 -0.130 0.000 0.645 206 V HN 0.618 nan 8.190 nan 0.000 0.447 207 G N -1.384 107.317 108.800 -0.166 0.000 2.448 207 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.219 207 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.219 207 G C 1.598 176.493 174.900 -0.009 0.000 1.127 207 G CA 0.934 45.911 45.100 -0.205 0.000 0.766 207 G HN 0.451 nan 8.290 nan 0.000 0.552 208 M N -0.269 119.337 119.600 0.011 0.000 2.229 208 M HA 0.021 4.500 4.480 -0.001 0.000 0.264 208 M C 2.254 178.666 176.300 0.187 0.000 1.063 208 M CA 0.865 56.291 55.300 0.211 0.000 1.114 208 M CB -0.174 32.549 32.600 0.204 0.000 1.387 208 M HN 0.191 nan 8.290 nan 0.000 0.420 209 H N -0.423 118.772 119.070 0.208 0.000 2.462 209 H HA 0.050 4.605 4.556 -0.001 0.000 0.292 209 H C 2.071 177.606 175.328 0.345 0.000 1.049 209 H CA 1.198 57.366 56.048 0.202 0.000 1.334 209 H CB -0.151 29.614 29.762 0.005 0.000 1.404 209 H HN 0.403 nan 8.280 nan 0.000 0.544 210 I N 0.348 121.183 120.570 0.442 0.000 2.315 210 I HA -0.231 3.939 4.170 -0.001 0.000 0.248 210 I C 2.096 178.465 176.117 0.419 0.000 1.117 210 I CA 0.835 62.453 61.300 0.530 0.000 1.404 210 I CB 0.010 38.272 38.000 0.437 0.000 1.071 210 I HN 0.103 nan 8.210 nan 0.000 0.419 211 L N -0.766 120.669 121.223 0.353 0.000 2.127 211 L HA -0.018 4.322 4.340 -0.001 0.000 0.203 211 L C 1.508 178.510 176.870 0.221 0.000 1.080 211 L CA 0.271 55.317 54.840 0.345 0.000 0.768 211 L CB -0.269 42.016 42.059 0.376 0.000 0.924 211 L HN 0.029 nan 8.230 nan 0.000 0.444 212 S N 0.308 116.067 115.700 0.100 0.000 2.509 212 S HA 0.055 4.525 4.470 -0.001 0.000 0.287 212 S C -1.463 173.046 174.600 -0.150 0.000 1.248 212 S CA -1.265 56.803 58.200 -0.220 0.000 1.089 212 S CB 0.714 63.401 63.200 -0.855 0.000 0.900 212 S HN -0.062 nan 8.310 nan 0.000 0.496 213 P HA -0.074 nan 4.420 nan 0.000 0.216 213 P C 1.405 178.631 177.300 -0.124 0.000 1.153 213 P CA 1.233 64.277 63.100 -0.093 0.000 0.858 213 P CB -0.126 31.523 31.700 -0.086 0.000 0.789 214 G N -1.615 107.062 108.800 -0.206 0.000 2.708 214 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.210 214 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.210 214 G C 1.254 176.078 174.900 -0.128 0.000 1.141 214 G CA 0.539 45.532 45.100 -0.178 0.000 0.788 214 G HN 0.242 nan 8.290 nan 0.000 0.531 215 S N -0.642 115.010 115.700 -0.079 0.000 2.554 215 S HA 0.115 4.584 4.470 -0.001 0.000 0.227 215 S C 2.123 176.822 174.600 0.165 0.000 1.050 215 S CA -0.482 57.772 58.200 0.089 0.000 0.927 215 S CB 0.259 63.647 63.200 0.313 0.000 0.859 215 S HN 0.351 nan 8.310 nan 0.000 0.494 216 R N 1.976 122.518 120.500 0.069 0.000 2.154 216 R HA -0.115 4.224 4.340 -0.001 0.000 0.248 216 R C 0.677 176.795 176.300 -0.303 0.000 1.155 216 R CA 1.627 57.669 56.100 -0.097 0.000 0.979 216 R CB -0.417 29.840 30.300 -0.070 0.000 0.869 216 R HN 0.307 nan 8.270 nan 0.000 0.452 217 D N 0.304 120.598 120.400 -0.177 0.000 2.355 217 D HA -0.002 4.638 4.640 -0.001 0.000 0.218 217 D C 1.252 177.446 176.300 -0.177 0.000 1.004 217 D CA 0.627 54.512 54.000 -0.191 0.000 0.880 217 D CB 0.153 40.864 40.800 -0.149 0.000 0.911 217 D HN 0.236 nan 8.370 nan 0.000 0.528 218 L N 0.101 121.267 121.223 -0.094 0.000 2.627 218 L HA 0.178 4.517 4.340 -0.001 0.000 0.232 218 L C -0.154 176.856 176.870 0.233 0.000 1.150 218 L CA -0.114 54.742 54.840 0.028 0.000 0.917 218 L CB -0.523 41.567 42.059 0.050 0.000 1.104 218 L HN -0.065 nan 8.230 nan 0.000 0.445 219 F N -4.247 115.716 119.950 0.023 0.000 2.741 219 F HA 0.514 5.041 4.527 -0.000 0.000 0.311 219 F C 0.253 176.080 175.800 0.045 0.000 1.149 219 F CA -1.332 56.694 58.000 0.042 0.000 0.930 219 F CB 1.134 40.156 39.000 0.036 0.000 1.312 219 F HN -0.373 nan 8.300 nan 0.000 0.450 220 R N 0.773 121.347 120.500 0.123 0.000 2.103 220 R HA 0.492 4.832 4.340 -0.001 0.000 0.212 220 R C -0.094 176.258 176.300 0.086 0.000 1.107 220 R CA 0.909 57.012 56.100 0.006 0.000 1.025 220 R CB 0.332 30.638 30.300 0.009 0.000 0.929 220 R HN 0.758 nan 8.270 nan 0.000 0.456 221 R N -1.072 119.572 120.500 0.239 0.000 2.867 221 R HA 0.747 5.086 4.340 -0.001 0.000 0.268 221 R C -1.512 175.030 176.300 0.404 0.000 1.014 221 R CA -0.708 55.537 56.100 0.241 0.000 0.946 221 R CB 2.275 32.533 30.300 -0.069 0.000 1.208 221 R HN 0.213 nan 8.270 nan 0.000 0.477 222 A N 1.668 124.731 122.820 0.406 0.000 2.449 222 A HA 0.701 5.021 4.320 -0.001 0.000 0.302 222 A C -1.102 176.591 177.584 0.182 0.000 1.048 222 A CA -0.630 51.567 52.037 0.268 0.000 0.708 222 A CB 1.247 20.367 19.000 0.200 0.000 1.274 222 A HN 0.587 nan 8.150 nan 0.000 0.410 223 I N 1.916 122.549 120.570 0.104 0.000 2.466 223 I HA 0.375 4.544 4.170 -0.001 0.000 0.289 223 I C -1.469 174.679 176.117 0.052 0.000 1.026 223 I CA -0.572 60.710 61.300 -0.031 0.000 1.078 223 I CB 1.880 39.829 38.000 -0.085 0.000 1.249 223 I HN 0.443 nan 8.210 nan 0.000 0.429 224 L N 6.760 127.978 121.223 -0.007 0.000 2.325 224 L HA 0.452 4.792 4.340 -0.001 0.000 0.281 224 L C -0.490 176.443 176.870 0.105 0.000 1.004 224 L CA -0.257 54.588 54.840 0.007 0.000 0.823 224 L CB 1.552 43.547 42.059 -0.107 0.000 1.236 224 L HN 0.484 nan 8.230 nan 0.000 0.415 225 Q N 1.889 121.807 119.800 0.196 0.000 2.368 225 Q HA 0.470 4.810 4.340 -0.001 0.000 0.263 225 Q C -0.033 176.094 176.000 0.212 0.000 1.009 225 Q CA -0.549 55.448 55.803 0.323 0.000 0.818 225 Q CB 1.502 30.533 28.738 0.488 0.000 1.239 225 Q HN 0.658 nan 8.270 nan 0.000 0.464 226 S N 1.009 116.826 115.700 0.195 0.000 3.631 226 S HA -0.169 4.301 4.470 -0.001 0.000 0.366 226 S C 0.037 174.796 174.600 0.264 0.000 0.993 226 S CA 0.555 58.892 58.200 0.230 0.000 1.167 226 S CB -1.194 62.182 63.200 0.292 0.000 0.909 226 S HN 0.967 nan 8.310 nan 0.000 0.478 227 G N -0.365 108.525 108.800 0.150 0.000 2.616 227 G HA2 0.651 4.611 3.960 -0.001 0.000 0.294 227 G HA3 0.651 4.611 3.960 -0.001 0.000 0.294 227 G C -0.986 173.869 174.900 -0.074 0.000 1.489 227 G CA 0.123 45.318 45.100 0.159 0.000 0.836 227 G HN 1.177 nan 8.290 nan 0.000 0.527 228 S N 0.836 116.420 115.700 -0.194 0.000 2.570 228 S HA 0.764 5.233 4.470 -0.001 0.000 0.270 228 S C -2.144 172.186 174.600 -0.450 0.000 1.149 228 S CA -0.957 56.987 58.200 -0.427 0.000 0.837 228 S CB 2.902 65.835 63.200 -0.445 0.000 1.124 228 S HN 0.450 nan 8.310 nan 0.000 0.465 229 P HA -0.150 nan 4.420 nan 0.000 0.218 229 P C 0.633 177.713 177.300 -0.367 0.000 1.148 229 P CA 1.457 64.336 63.100 -0.368 0.000 0.822 229 P CB -0.312 31.221 31.700 -0.278 0.000 0.784 230 N N -0.885 117.630 118.700 -0.308 0.000 2.383 230 N HA -0.019 4.721 4.740 -0.001 0.000 0.192 230 N C 0.079 175.366 175.510 -0.372 0.000 1.141 230 N CA -0.200 52.696 53.050 -0.257 0.000 0.851 230 N CB -1.353 37.096 38.487 -0.063 0.000 0.976 230 N HN 0.033 nan 8.380 nan 0.000 0.465 231 C N 3.091 122.058 119.300 -0.556 0.000 2.634 231 C HA 0.072 4.532 4.460 -0.001 0.000 0.417 231 C C -0.137 174.375 174.990 -0.797 0.000 1.334 231 C CA -0.892 57.654 59.018 -0.786 0.000 1.829 231 C CB 1.038 27.985 27.740 -1.322 0.000 2.665 231 C HN 0.377 nan 8.230 nan 0.000 0.614 232 P HA -0.113 nan 4.420 nan 0.000 0.223 232 P C 1.112 178.222 177.300 -0.316 0.000 1.144 232 P CA 1.793 64.629 63.100 -0.440 0.000 0.783 232 P CB -0.064 31.401 31.700 -0.393 0.000 0.771 233 W N -1.552 119.624 121.300 -0.207 0.000 3.211 233 W HA 0.575 5.235 4.660 -0.000 0.000 0.292 233 W C 1.116 177.712 176.519 0.128 0.000 1.268 233 W CA 0.333 57.641 57.345 -0.063 0.000 1.702 233 W CB -0.976 28.467 29.460 -0.029 0.000 1.092 233 W HN -0.115 nan 8.180 nan 0.000 0.643 234 A N 1.400 123.946 122.820 -0.456 0.000 2.218 234 A HA 0.216 4.536 4.320 -0.001 0.000 0.209 234 A C 0.961 178.387 177.584 -0.263 0.000 1.168 234 A CA 1.063 52.944 52.037 -0.260 0.000 0.804 234 A CB -0.512 18.080 19.000 -0.679 0.000 0.834 234 A HN 0.211 nan 8.150 nan 0.000 0.482 235 S N -1.765 113.774 115.700 -0.268 0.000 2.588 235 S HA 0.656 5.126 4.470 -0.001 0.000 0.269 235 S C -0.821 173.657 174.600 -0.203 0.000 1.157 235 S CA -0.076 57.957 58.200 -0.279 0.000 0.824 235 S CB 1.310 64.277 63.200 -0.389 0.000 1.126 235 S HN 1.347 nan 8.310 nan 0.000 0.464 236 V N -1.147 118.666 119.914 -0.169 0.000 3.181 236 V HA 0.939 5.059 4.120 -0.001 0.000 0.308 236 V C 0.138 176.162 176.094 -0.116 0.000 1.214 236 V CA -0.452 61.770 62.300 -0.130 0.000 1.053 236 V CB 1.124 32.884 31.823 -0.104 0.000 1.069 236 V HN 1.536 nan 8.190 nan 0.000 0.441 237 S N 0.644 116.285 115.700 -0.099 0.000 2.624 237 S HA 0.360 4.830 4.470 -0.001 0.000 0.263 237 S C 1.306 175.862 174.600 -0.074 0.000 1.287 237 S CA 0.030 58.177 58.200 -0.088 0.000 0.990 237 S CB 1.222 64.378 63.200 -0.074 0.000 0.950 237 S HN 2.099 nan 8.310 nan 0.000 0.561 238 V N -1.316 118.544 119.914 -0.089 0.000 2.515 238 V HA 0.012 4.132 4.120 -0.001 0.000 0.250 238 V C 2.572 178.653 176.094 -0.022 0.000 1.058 238 V CA 1.600 63.855 62.300 -0.076 0.000 1.064 238 V CB -2.081 29.634 31.823 -0.181 0.000 0.675 238 V HN 0.991 nan 8.190 nan 0.000 0.461 239 A N 0.753 123.556 122.820 -0.028 0.000 1.873 239 A HA -0.191 4.129 4.320 -0.001 0.000 0.215 239 A C 2.225 179.789 177.584 -0.033 0.000 1.186 239 A CA 1.950 53.977 52.037 -0.018 0.000 0.616 239 A CB -0.646 18.342 19.000 -0.021 0.000 0.823 239 A HN 0.615 nan 8.150 nan 0.000 0.442 240 E N 0.214 120.384 120.200 -0.051 0.000 2.106 240 E HA -0.039 4.311 4.350 -0.001 0.000 0.192 240 E C 1.947 178.505 176.600 -0.069 0.000 0.984 240 E CA 1.558 57.913 56.400 -0.075 0.000 0.806 240 E CB -0.847 28.800 29.700 -0.089 0.000 0.750 240 E HN 0.386 nan 8.360 nan 0.000 0.458 241 G N 0.633 109.409 108.800 -0.040 0.000 2.422 241 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.218 241 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.218 241 G C 1.757 176.671 174.900 0.023 0.000 1.146 241 G CA 0.865 45.965 45.100 -0.001 0.000 0.769 241 G HN 0.332 nan 8.290 nan 0.000 0.547 242 R N 0.189 120.697 120.500 0.014 0.000 2.066 242 R HA 0.025 4.365 4.340 -0.001 0.000 0.232 242 R C 2.558 178.857 176.300 -0.001 0.000 1.131 242 R CA 1.226 57.336 56.100 0.017 0.000 0.955 242 R CB -0.393 29.920 30.300 0.022 0.000 0.851 242 R HN 0.242 nan 8.270 nan 0.000 0.432 243 R N 0.676 121.160 120.500 -0.025 0.000 2.105 243 R HA -0.142 4.198 4.340 -0.001 0.000 0.239 243 R C 2.072 178.343 176.300 -0.050 0.000 1.135 243 R CA 1.822 57.895 56.100 -0.045 0.000 0.967 243 R CB -0.087 30.171 30.300 -0.071 0.000 0.861 243 R HN 0.324 nan 8.270 nan 0.000 0.442 244 R N -0.475 119.989 120.500 -0.060 0.000 2.090 244 R HA 0.017 4.357 4.340 -0.001 0.000 0.228 244 R C 2.337 178.686 176.300 0.082 0.000 1.110 244 R CA 1.039 57.097 56.100 -0.069 0.000 0.973 244 R CB -0.238 29.922 30.300 -0.232 0.000 0.869 244 R HN 0.194 nan 8.270 nan 0.000 0.440 245 A N 0.898 123.793 122.820 0.124 0.000 1.902 245 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 245 A C 2.332 179.941 177.584 0.041 0.000 1.181 245 A CA 1.262 53.373 52.037 0.123 0.000 0.623 245 A CB -0.472 18.547 19.000 0.031 0.000 0.818 245 A HN 0.097 nan 8.150 nan 0.000 0.443 246 V N -0.095 119.829 119.914 0.017 0.000 2.358 246 V HA -0.210 3.910 4.120 -0.001 0.000 0.246 246 V C 2.576 178.676 176.094 0.009 0.000 1.047 246 V CA 2.357 64.658 62.300 0.002 0.000 1.035 246 V CB -0.611 31.208 31.823 -0.007 0.000 0.658 246 V HN 0.705 nan 8.190 nan 0.000 0.452 247 E N 0.184 120.390 120.200 0.009 0.000 2.150 247 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 247 E C 1.907 178.533 176.600 0.042 0.000 0.985 247 E CA 0.982 57.386 56.400 0.007 0.000 0.814 247 E CB -0.347 29.338 29.700 -0.025 0.000 0.752 247 E HN 0.425 nan 8.360 nan 0.000 0.466 248 L N -0.124 121.152 121.223 0.088 0.000 2.017 248 L HA -0.004 4.336 4.340 -0.001 0.000 0.208 248 L C 2.168 179.076 176.870 0.063 0.000 1.073 248 L CA 2.414 57.330 54.840 0.127 0.000 0.745 248 L CB -1.078 41.099 42.059 0.198 0.000 0.894 248 L HN 0.241 nan 8.230 nan 0.000 0.432 249 G N -0.947 107.872 108.800 0.032 0.000 2.446 249 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.217 249 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.217 249 G C 1.805 176.718 174.900 0.022 0.000 1.168 249 G CA 0.837 45.946 45.100 0.016 0.000 0.771 249 G HN 0.428 nan 8.290 nan 0.000 0.551 250 R N 0.392 120.904 120.500 0.020 0.000 2.127 250 R HA -0.039 4.301 4.340 -0.001 0.000 0.238 250 R C 2.201 178.517 176.300 0.027 0.000 1.134 250 R CA 1.334 57.444 56.100 0.018 0.000 0.975 250 R CB -0.308 29.998 30.300 0.010 0.000 0.865 250 R HN 0.315 nan 8.270 nan 0.000 0.447 251 N N 0.149 118.871 118.700 0.037 0.000 2.459 251 N HA -0.097 4.643 4.740 -0.001 0.000 0.181 251 N C 0.843 176.383 175.510 0.049 0.000 1.046 251 N CA 0.844 53.922 53.050 0.047 0.000 0.904 251 N CB 0.205 38.732 38.487 0.066 0.000 0.964 251 N HN 0.295 nan 8.380 nan 0.000 0.444 252 L N 0.482 121.733 121.223 0.045 0.000 2.857 252 L HA 0.207 4.547 4.340 -0.001 0.000 0.249 252 L C -0.233 176.659 176.870 0.036 0.000 1.172 252 L CA -0.117 54.750 54.840 0.045 0.000 0.980 252 L CB 0.036 42.124 42.059 0.049 0.000 1.299 252 L HN 0.009 nan 8.230 nan 0.000 0.535 253 N N -0.548 118.171 118.700 0.031 0.000 2.740 253 N HA -0.175 4.564 4.740 -0.001 0.000 0.248 253 N C -0.138 175.386 175.510 0.024 0.000 1.062 253 N CA 0.498 53.563 53.050 0.025 0.000 0.704 253 N CB -1.894 36.608 38.487 0.026 0.000 0.968 253 N HN 0.281 nan 8.380 nan 0.000 0.547 254 c N 0.966 119.579 118.600 0.023 0.000 2.443 254 c HA 0.241 4.811 4.570 -0.001 0.000 0.369 254 c C 1.384 175.483 174.090 0.015 0.000 1.241 254 c CA -0.918 55.424 56.329 0.021 0.000 2.413 254 c CB 0.986 43.507 42.510 0.019 0.000 2.451 254 c HN 0.393 nan 8.230 nan 0.000 0.595 255 N N 1.854 120.562 118.700 0.015 0.000 2.475 255 N HA 0.114 4.854 4.740 -0.001 0.000 0.267 255 N C -0.199 175.315 175.510 0.007 0.000 1.169 255 N CA 0.211 53.267 53.050 0.011 0.000 0.947 255 N CB 0.447 38.941 38.487 0.012 0.000 1.061 255 N HN 0.618 nan 8.380 nan 0.000 0.466 256 L N 2.907 124.133 121.223 0.005 0.000 2.984 256 L HA 0.239 4.579 4.340 -0.001 0.000 0.246 256 L C 0.954 177.824 176.870 0.001 0.000 1.268 256 L CA -0.342 54.499 54.840 0.001 0.000 1.054 256 L CB -0.219 41.840 42.059 0.000 0.000 1.393 256 L HN 0.392 nan 8.230 nan 0.000 0.532 257 N N 0.526 119.227 118.700 0.002 0.000 2.416 257 N HA -0.021 4.718 4.740 -0.001 0.000 0.177 257 N C 0.610 176.121 175.510 0.001 0.000 1.036 257 N CA 0.486 53.537 53.050 0.002 0.000 0.901 257 N CB 0.480 38.969 38.487 0.004 0.000 0.976 257 N HN 0.455 nan 8.380 nan 0.000 0.444 258 S N -1.428 114.272 115.700 0.000 0.000 2.570 258 S HA 0.360 4.830 4.470 -0.001 0.000 0.270 258 S C -0.052 174.546 174.600 -0.005 0.000 1.149 258 S CA -0.837 57.362 58.200 -0.001 0.000 0.837 258 S CB 1.943 65.144 63.200 0.001 0.000 1.124 258 S HN -0.254 nan 8.310 nan 0.000 0.465 259 D N 1.400 121.795 120.400 -0.007 0.000 2.123 259 D HA -0.066 4.573 4.640 -0.001 0.000 0.196 259 D C 1.965 178.259 176.300 -0.009 0.000 0.992 259 D CA 1.656 55.647 54.000 -0.014 0.000 0.833 259 D CB -0.321 40.470 40.800 -0.015 0.000 0.954 259 D HN 0.603 nan 8.370 nan 0.000 0.455 260 E N 0.515 120.715 120.200 0.000 0.000 2.085 260 E HA -0.163 4.186 4.350 -0.001 0.000 0.194 260 E C 2.099 178.707 176.600 0.014 0.000 0.994 260 E CA 0.972 57.378 56.400 0.010 0.000 0.801 260 E CB -0.262 29.445 29.700 0.012 0.000 0.743 260 E HN 0.471 nan 8.360 nan 0.000 0.453 261 E N -0.148 120.057 120.200 0.009 0.000 2.051 261 E HA -0.145 4.205 4.350 -0.001 0.000 0.192 261 E C 2.300 178.907 176.600 0.011 0.000 0.991 261 E CA 1.037 57.444 56.400 0.012 0.000 0.799 261 E CB -0.446 29.259 29.700 0.009 0.000 0.748 261 E HN 0.216 nan 8.360 nan 0.000 0.449 262 L N 1.489 122.712 121.223 -0.001 0.000 1.989 262 L HA -0.182 4.158 4.340 -0.001 0.000 0.211 262 L C 2.256 179.116 176.870 -0.016 0.000 1.071 262 L CA 1.597 56.429 54.840 -0.014 0.000 0.749 262 L CB -0.685 41.353 42.059 -0.034 0.000 0.890 262 L HN 0.068 nan 8.230 nan 0.000 0.431 263 I N -1.409 119.149 120.570 -0.019 0.000 2.179 263 I HA -0.386 3.784 4.170 -0.001 0.000 0.242 263 I C 2.695 178.873 176.117 0.102 0.000 1.088 263 I CA 1.599 62.905 61.300 0.010 0.000 1.357 263 I CB -0.740 37.272 38.000 0.020 0.000 1.051 263 I HN 0.466 nan 8.210 nan 0.000 0.409 264 H N -0.385 118.728 119.070 0.070 0.000 2.319 264 H HA -0.253 4.303 4.556 -0.001 0.000 0.299 264 H C 2.430 177.803 175.328 0.076 0.000 1.092 264 H CA 1.941 58.032 56.048 0.072 0.000 1.302 264 H CB -0.678 29.112 29.762 0.047 0.000 1.373 264 H HN 0.682 nan 8.280 nan 0.000 0.497 265 c N 0.258 118.894 118.600 0.060 0.000 2.429 265 c HA -0.012 4.558 4.570 -0.001 0.000 0.277 265 c C 2.890 177.030 174.090 0.083 0.000 1.262 265 c CA 1.271 57.634 56.329 0.057 0.000 1.733 265 c CB -1.728 40.806 42.510 0.038 0.000 2.010 265 c HN 0.738 nan 8.230 nan 0.000 0.483 266 L N 0.189 121.478 121.223 0.111 0.000 2.191 266 L HA -0.080 4.260 4.340 -0.001 0.000 0.212 266 L C 2.928 179.949 176.870 0.252 0.000 1.103 266 L CA 1.351 56.303 54.840 0.187 0.000 0.769 266 L CB -0.606 41.554 42.059 0.169 0.000 0.908 266 L HN 0.363 nan 8.230 nan 0.000 0.438 267 R N -0.584 120.050 120.500 0.224 0.000 2.193 267 R HA -0.056 4.284 4.340 -0.001 0.000 0.213 267 R C 1.642 177.974 176.300 0.053 0.000 1.055 267 R CA 0.418 56.581 56.100 0.104 0.000 0.995 267 R CB 0.093 30.453 30.300 0.100 0.000 0.893 267 R HN 0.232 nan 8.270 nan 0.000 0.459 268 E N 0.617 120.856 120.200 0.065 0.000 2.478 268 E HA 0.023 4.373 4.350 -0.001 0.000 0.194 268 E C -0.055 176.575 176.600 0.050 0.000 1.045 268 E CA 0.500 56.928 56.400 0.048 0.000 0.868 268 E CB 0.303 30.029 29.700 0.044 0.000 0.885 268 E HN 0.045 nan 8.360 nan 0.000 0.505 269 K N 1.153 121.590 120.400 0.062 0.000 2.218 269 K HA 0.145 4.465 4.320 -0.001 0.000 0.276 269 K C 0.302 176.948 176.600 0.077 0.000 1.022 269 K CA -0.260 56.067 56.287 0.067 0.000 0.946 269 K CB 1.023 33.568 32.500 0.074 0.000 1.000 269 K HN -0.273 nan 8.250 nan 0.000 0.468 270 K N 2.318 122.765 120.400 0.078 0.000 2.319 270 K HA 0.056 4.376 4.320 -0.001 0.000 0.265 270 K C -1.571 175.117 176.600 0.146 0.000 1.000 270 K CA -1.089 55.251 56.287 0.088 0.000 0.943 270 K CB 0.250 32.791 32.500 0.069 0.000 0.950 270 K HN 0.424 nan 8.250 nan 0.000 0.485 271 P HA -0.217 nan 4.420 nan 0.000 0.215 271 P C 1.389 178.883 177.300 0.324 0.000 1.163 271 P CA 1.167 64.474 63.100 0.345 0.000 0.894 271 P CB 0.141 31.913 31.700 0.121 0.000 0.791 272 Q N -0.026 119.883 119.800 0.181 0.000 2.364 272 Q HA -0.185 4.155 4.340 -0.001 0.000 0.209 272 Q C 1.816 177.909 176.000 0.155 0.000 0.977 272 Q CA 1.565 57.463 55.803 0.157 0.000 0.885 272 Q CB -0.793 28.001 28.738 0.093 0.000 0.941 272 Q HN 0.359 nan 8.270 nan 0.000 0.464 273 E N -1.147 119.136 120.200 0.139 0.000 2.107 273 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 273 E C 1.442 178.116 176.600 0.123 0.000 0.982 273 E CA 0.696 57.165 56.400 0.115 0.000 0.809 273 E CB 0.068 29.823 29.700 0.092 0.000 0.756 273 E HN 0.228 nan 8.360 nan 0.000 0.459 274 L N 0.608 121.907 121.223 0.127 0.000 2.044 274 L HA -0.115 4.225 4.340 -0.001 0.000 0.205 274 L C 2.147 179.115 176.870 0.165 0.000 1.075 274 L CA 1.414 56.300 54.840 0.078 0.000 0.747 274 L CB -0.447 41.552 42.059 -0.101 0.000 0.903 274 L HN 0.153 nan 8.230 nan 0.000 0.435 275 I N -0.491 120.229 120.570 0.249 0.000 2.286 275 I HA -0.292 3.878 4.170 -0.001 0.000 0.248 275 I C 1.852 178.133 176.117 0.273 0.000 1.115 275 I CA 1.044 62.529 61.300 0.308 0.000 1.392 275 I CB -0.404 37.800 38.000 0.339 0.000 1.065 275 I HN 0.244 nan 8.210 nan 0.000 0.418 276 D N 0.318 120.847 120.400 0.216 0.000 2.221 276 D HA -0.121 4.518 4.640 -0.001 0.000 0.204 276 D C 1.849 178.259 176.300 0.183 0.000 0.982 276 D CA 1.446 55.561 54.000 0.191 0.000 0.857 276 D CB 0.066 40.950 40.800 0.141 0.000 0.934 276 D HN 0.402 nan 8.370 nan 0.000 0.475 277 V N -3.023 117.002 119.914 0.186 0.000 3.477 277 V HA 0.229 4.349 4.120 -0.001 0.000 0.297 277 V C 1.683 177.921 176.094 0.240 0.000 1.433 277 V CA -0.137 62.272 62.300 0.181 0.000 1.052 277 V CB 0.387 32.293 31.823 0.138 0.000 0.895 277 V HN -0.105 nan 8.190 nan 0.000 0.438 278 E N 0.478 120.866 120.200 0.313 0.000 2.114 278 E HA -0.274 4.075 4.350 -0.001 0.000 0.199 278 E C 1.696 178.595 176.600 0.499 0.000 1.008 278 E CA 2.470 59.157 56.400 0.478 0.000 0.810 278 E CB -0.097 29.918 29.700 0.525 0.000 0.739 278 E HN 0.850 nan 8.360 nan 0.000 0.456 279 W N 0.512 121.825 121.300 0.021 0.000 2.800 279 W HA -0.019 4.640 4.660 -0.001 0.000 0.249 279 W C 1.086 177.580 176.519 -0.041 0.000 1.294 279 W CA -0.080 57.232 57.345 -0.056 0.000 1.402 279 W CB 0.177 29.556 29.460 -0.135 0.000 1.126 279 W HN 0.135 nan 8.180 nan 0.000 0.652 280 N N 0.489 119.270 118.700 0.134 0.000 2.571 280 N HA -0.111 4.628 4.740 -0.001 0.000 0.189 280 N C 1.525 177.006 175.510 -0.048 0.000 1.154 280 N CA 1.093 54.166 53.050 0.037 0.000 0.907 280 N CB -0.306 38.223 38.487 0.070 0.000 0.977 280 N HN 0.173 nan 8.380 nan 0.000 0.449 281 V N -2.516 117.338 119.914 -0.099 0.000 3.621 281 V HA 0.277 4.396 4.120 -0.001 0.000 0.285 281 V C 0.711 176.635 176.094 -0.284 0.000 1.346 281 V CA -0.184 62.019 62.300 -0.161 0.000 1.104 281 V CB -0.487 31.260 31.823 -0.126 0.000 0.913 281 V HN -0.025 nan 8.190 nan 0.000 0.432 282 L N 2.582 123.586 121.223 -0.364 0.000 2.490 282 L HA 0.194 4.534 4.340 -0.001 0.000 0.274 282 L C -0.292 176.354 176.870 -0.373 0.000 1.201 282 L CA -0.721 53.864 54.840 -0.425 0.000 0.869 282 L CB 0.886 42.635 42.059 -0.516 0.000 1.123 282 L HN 0.183 nan 8.230 nan 0.000 0.484 283 P HA -0.040 nan 4.420 nan 0.000 0.221 283 P C -0.161 176.695 177.300 -0.739 0.000 1.155 283 P CA 1.100 63.769 63.100 -0.720 0.000 0.812 283 P CB 0.307 31.349 31.700 -1.097 0.000 0.801 284 F N -0.412 119.465 119.950 -0.122 0.000 2.618 284 F HA 0.428 4.955 4.527 -0.001 0.000 0.332 284 F C 0.461 176.196 175.800 -0.108 0.000 1.061 284 F CA -1.564 56.380 58.000 -0.094 0.000 0.974 284 F CB 0.086 39.043 39.000 -0.072 0.000 1.310 284 F HN -0.346 nan 8.300 nan 0.000 0.491 285 D N 1.088 121.574 120.400 0.144 0.000 2.339 285 D HA 0.415 5.054 4.640 -0.001 0.000 0.256 285 D C -0.637 175.688 176.300 0.041 0.000 1.214 285 D CA 0.353 54.382 54.000 0.049 0.000 0.877 285 D CB 0.511 41.335 40.800 0.040 0.000 1.111 285 D HN 0.630 nan 8.370 nan 0.000 0.478 286 S N 2.570 118.272 115.700 0.004 0.000 2.656 286 S HA 0.696 5.166 4.470 -0.001 0.000 0.273 286 S C -1.021 173.567 174.600 -0.020 0.000 1.168 286 S CA -0.936 57.259 58.200 -0.010 0.000 0.817 286 S CB 1.131 64.329 63.200 -0.002 0.000 1.146 286 S HN 0.272 nan 8.310 nan 0.000 0.475 287 I N 0.583 121.137 120.570 -0.027 0.000 2.689 287 I HA 0.724 4.894 4.170 -0.001 0.000 0.299 287 I C -0.770 175.317 176.117 -0.050 0.000 1.059 287 I CA -0.789 60.502 61.300 -0.016 0.000 1.055 287 I CB 1.400 39.394 38.000 -0.010 0.000 1.243 287 I HN 0.836 nan 8.210 nan 0.000 0.425 288 F N 5.526 125.281 119.950 -0.325 0.000 3.039 288 F HA -0.225 4.301 4.527 -0.001 0.000 0.287 288 F C -0.477 174.807 175.800 -0.859 0.000 0.956 288 F CA 0.468 58.009 58.000 -0.765 0.000 0.971 288 F CB -0.647 37.780 39.000 -0.955 0.000 0.943 288 F HN 0.440 nan 8.300 nan 0.000 0.766 289 R N 0.557 120.642 120.500 -0.692 0.000 2.651 289 R HA 0.638 4.978 4.340 -0.001 0.000 0.278 289 R C -1.057 174.783 176.300 -0.767 0.000 1.010 289 R CA -0.602 55.128 56.100 -0.616 0.000 0.896 289 R CB 1.423 31.561 30.300 -0.270 0.000 1.211 289 R HN -0.009 nan 8.270 nan 0.000 0.456 290 F N -0.735 119.246 119.950 0.052 0.000 2.563 290 F HA 0.385 4.912 4.527 -0.001 0.000 0.316 290 F C 1.559 177.234 175.800 -0.208 0.000 1.076 290 F CA -0.825 57.184 58.000 0.015 0.000 0.921 290 F CB 1.756 41.064 39.000 0.513 0.000 1.209 290 F HN 0.358 nan 8.300 nan 0.000 0.462 291 S N 0.583 116.156 115.700 -0.212 0.000 2.343 291 S HA -0.051 4.418 4.470 -0.001 0.000 0.219 291 S C 0.109 174.331 174.600 -0.630 0.000 1.033 291 S CA 1.220 59.121 58.200 -0.500 0.000 1.014 291 S CB -0.255 62.623 63.200 -0.538 0.000 0.915 291 S HN 0.343 nan 8.310 nan 0.000 0.435 292 F N 1.854 121.973 119.950 0.283 0.000 2.332 292 F HA 0.557 5.083 4.527 -0.001 0.000 0.368 292 F C 0.084 176.003 175.800 0.198 0.000 1.110 292 F CA -0.924 57.240 58.000 0.273 0.000 1.087 292 F CB 1.049 40.267 39.000 0.363 0.000 1.235 292 F HN -0.069 nan 8.300 nan 0.000 0.470 293 V N 0.915 120.884 119.914 0.091 0.000 3.167 293 V HA 0.751 4.870 4.120 -0.001 0.000 0.310 293 V C -2.909 172.955 176.094 -0.384 0.000 1.207 293 V CA -3.296 58.754 62.300 -0.416 0.000 1.059 293 V CB 1.930 33.643 31.823 -0.183 0.000 1.079 293 V HN 0.243 nan 8.190 nan 0.000 0.446 294 P HA 0.267 nan 4.420 nan 0.000 0.267 294 P C -0.645 176.604 177.300 -0.085 0.000 1.201 294 P CA 0.258 63.215 63.100 -0.240 0.000 0.775 294 P CB 0.436 31.920 31.700 -0.359 0.000 0.854 295 V N 0.722 120.675 119.914 0.065 0.000 2.680 295 V HA 0.432 4.551 4.120 -0.001 0.000 0.309 295 V C -0.025 176.138 176.094 0.115 0.000 1.052 295 V CA -0.920 61.398 62.300 0.029 0.000 0.908 295 V CB 1.824 33.669 31.823 0.037 0.000 1.001 295 V HN 0.221 nan 8.190 nan 0.000 0.431 296 I N 4.804 125.366 120.570 -0.014 0.000 2.372 296 I HA 0.207 4.376 4.170 -0.001 0.000 0.298 296 I C 0.740 176.870 176.117 0.022 0.000 1.137 296 I CA 0.270 61.586 61.300 0.028 0.000 1.314 296 I CB -0.031 37.900 38.000 -0.115 0.000 1.444 296 I HN 0.978 nan 8.210 nan 0.000 0.541 297 D N 3.307 123.778 120.400 0.117 0.000 2.398 297 D HA 0.106 4.746 4.640 -0.001 0.000 0.210 297 D C 1.348 177.659 176.300 0.018 0.000 1.094 297 D CA 0.504 54.462 54.000 -0.069 0.000 0.839 297 D CB 0.618 41.444 40.800 0.042 0.000 0.963 297 D HN 0.658 nan 8.370 nan 0.000 0.506 298 G N -0.472 108.392 108.800 0.107 0.000 2.205 298 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.261 298 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.261 298 G C 0.879 175.852 174.900 0.121 0.000 0.980 298 G CA 1.261 46.429 45.100 0.112 0.000 0.632 298 G HN 0.797 nan 8.290 nan 0.000 0.533 299 E N -0.703 119.582 120.200 0.141 0.000 2.329 299 E HA 0.603 4.953 4.350 -0.001 0.000 0.189 299 E C 1.895 178.518 176.600 0.037 0.000 0.997 299 E CA 0.790 57.250 56.400 0.099 0.000 1.062 299 E CB -0.518 29.261 29.700 0.131 0.000 1.260 299 E HN 0.695 nan 8.360 nan 0.000 0.490 300 F N 0.436 120.320 119.950 -0.110 0.000 2.171 300 F HA 0.174 4.700 4.527 -0.000 0.000 0.300 300 F C -0.002 175.515 175.800 -0.471 0.000 1.090 300 F CA 0.917 58.713 58.000 -0.340 0.000 1.293 300 F CB 0.131 38.825 39.000 -0.512 0.000 1.013 300 F HN 0.118 nan 8.300 nan 0.000 0.486 301 F N 1.491 121.585 119.950 0.241 0.000 2.382 301 F HA 0.346 4.873 4.527 -0.001 0.000 0.361 301 F C -1.437 174.407 175.800 0.073 0.000 1.109 301 F CA -2.916 55.170 58.000 0.144 0.000 1.031 301 F CB 0.630 39.713 39.000 0.138 0.000 1.234 301 F HN -0.247 nan 8.300 nan 0.000 0.445 302 P HA -0.091 nan 4.420 nan 0.000 0.215 302 P C 0.437 177.802 177.300 0.107 0.000 1.153 302 P CA 1.514 64.679 63.100 0.109 0.000 0.853 302 P CB 0.284 32.020 31.700 0.060 0.000 0.788 303 T N -4.387 110.238 114.554 0.117 0.000 2.669 303 T HA 0.445 4.795 4.350 -0.001 0.000 0.283 303 T C -0.085 174.656 174.700 0.068 0.000 1.019 303 T CA -0.548 61.598 62.100 0.076 0.000 1.039 303 T CB 0.917 69.816 68.868 0.052 0.000 1.374 303 T HN 0.096 nan 8.240 nan 0.000 0.523 304 S N -0.022 115.693 115.700 0.025 0.000 2.566 304 S HA 0.158 4.627 4.470 -0.001 0.000 0.280 304 S C 1.474 176.071 174.600 -0.005 0.000 1.343 304 S CA -0.702 57.488 58.200 -0.016 0.000 1.036 304 S CB -0.384 62.803 63.200 -0.022 0.000 0.866 304 S HN 0.652 nan 8.310 nan 0.000 0.526 305 L N 0.558 121.740 121.223 -0.069 0.000 2.046 305 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 305 L C 2.935 179.831 176.870 0.044 0.000 1.077 305 L CA 1.927 56.743 54.840 -0.040 0.000 0.747 305 L CB -0.759 41.210 42.059 -0.149 0.000 0.896 305 L HN 0.805 nan 8.230 nan 0.000 0.432 306 E N 0.612 120.834 120.200 0.035 0.000 2.077 306 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 306 E C 2.269 178.926 176.600 0.095 0.000 0.989 306 E CA 1.715 58.169 56.400 0.090 0.000 0.800 306 E CB -0.098 29.641 29.700 0.065 0.000 0.746 306 E HN 0.470 nan 8.360 nan 0.000 0.452 307 S N -0.559 115.180 115.700 0.066 0.000 2.406 307 S HA -0.127 4.343 4.470 -0.001 0.000 0.228 307 S C 2.143 176.789 174.600 0.077 0.000 1.020 307 S CA 1.122 59.360 58.200 0.063 0.000 0.965 307 S CB -0.341 62.883 63.200 0.040 0.000 0.798 307 S HN 0.246 nan 8.310 nan 0.000 0.488 308 M N 0.958 120.618 119.600 0.100 0.000 2.086 308 M HA 0.028 4.507 4.480 -0.001 0.000 0.261 308 M C 2.212 178.655 176.300 0.238 0.000 1.067 308 M CA 1.466 56.852 55.300 0.143 0.000 1.116 308 M CB -0.637 32.076 32.600 0.188 0.000 1.348 308 M HN 0.323 nan 8.290 nan 0.000 0.407 309 L N -0.186 121.179 121.223 0.236 0.000 2.083 309 L HA -0.227 4.113 4.340 -0.001 0.000 0.209 309 L C 2.207 179.253 176.870 0.295 0.000 1.083 309 L CA 0.835 55.848 54.840 0.289 0.000 0.752 309 L CB -0.775 41.358 42.059 0.124 0.000 0.899 309 L HN 0.369 nan 8.230 nan 0.000 0.433 310 N N -0.260 118.550 118.700 0.183 0.000 2.188 310 N HA -0.125 4.614 4.740 -0.001 0.000 0.184 310 N C 1.899 177.503 175.510 0.157 0.000 1.018 310 N CA 1.700 54.854 53.050 0.173 0.000 0.858 310 N CB -0.037 38.522 38.487 0.121 0.000 0.989 310 N HN 0.329 nan 8.380 nan 0.000 0.426 311 S N -1.080 114.634 115.700 0.023 0.000 2.575 311 S HA 0.261 4.730 4.470 -0.001 0.000 0.215 311 S C 1.299 175.570 174.600 -0.548 0.000 0.966 311 S CA 0.441 58.575 58.200 -0.109 0.000 0.911 311 S CB 0.249 63.399 63.200 -0.083 0.000 0.780 311 S HN 0.382 nan 8.310 nan 0.000 0.514 312 G N 1.954 110.175 108.800 -0.966 0.000 2.148 312 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.254 312 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.254 312 G C 0.073 174.085 174.900 -1.481 0.000 0.981 312 G CA 0.092 43.901 45.100 -2.152 0.000 0.670 312 G HN 0.608 nan 8.290 nan 0.000 0.528 313 N N 0.767 119.066 118.700 -0.668 0.000 2.744 313 N HA 0.474 5.214 4.740 -0.001 0.000 0.290 313 N C -0.154 175.323 175.510 -0.055 0.000 1.206 313 N CA 0.216 53.077 53.050 -0.316 0.000 1.119 313 N CB -1.053 37.377 38.487 -0.094 0.000 1.449 313 N HN 0.747 nan 8.380 nan 0.000 0.514 314 F N -1.205 118.682 119.950 -0.105 0.000 2.799 314 F HA 0.364 4.891 4.527 -0.000 0.000 0.316 314 F C -0.386 175.426 175.800 0.020 0.000 1.155 314 F CA -1.450 56.558 58.000 0.015 0.000 0.916 314 F CB 0.582 39.651 39.000 0.115 0.000 1.294 314 F HN -0.143 nan 8.300 nan 0.000 0.447 315 K N 1.786 122.421 120.400 0.391 0.000 2.447 315 K HA 0.208 4.527 4.320 -0.001 0.000 0.281 315 K C -1.041 175.788 176.600 0.382 0.000 1.031 315 K CA -0.148 56.288 56.287 0.249 0.000 1.019 315 K CB 0.498 33.102 32.500 0.173 0.000 0.918 315 K HN 0.663 nan 8.250 nan 0.000 0.476 316 K N 2.794 123.300 120.400 0.176 0.000 2.253 316 K HA 0.207 4.527 4.320 -0.001 0.000 0.277 316 K C -0.247 176.477 176.600 0.206 0.000 1.053 316 K CA -0.196 56.201 56.287 0.182 0.000 0.892 316 K CB 1.843 34.356 32.500 0.021 0.000 1.102 316 K HN 0.703 nan 8.250 nan 0.000 0.469 317 T N 1.336 116.099 114.554 0.349 0.000 2.646 317 T HA 0.288 4.638 4.350 -0.001 0.000 0.297 317 T C -1.444 173.460 174.700 0.341 0.000 1.363 317 T CA -0.653 61.600 62.100 0.254 0.000 1.056 317 T CB 0.528 69.512 68.868 0.194 0.000 1.779 317 T HN 0.395 nan 8.240 nan 0.000 0.459 318 Q N 0.856 120.823 119.800 0.279 0.000 2.226 318 Q HA 0.791 5.130 4.340 -0.001 0.000 0.256 318 Q C -0.455 175.810 176.000 0.442 0.000 0.962 318 Q CA -0.520 55.500 55.803 0.361 0.000 0.887 318 Q CB 1.541 30.487 28.738 0.347 0.000 1.282 318 Q HN 0.690 nan 8.270 nan 0.000 0.449 319 I N -1.559 119.217 120.570 0.343 0.000 2.802 319 I HA 0.693 4.863 4.170 -0.001 0.000 0.298 319 I C -1.594 174.411 176.117 -0.187 0.000 1.176 319 I CA -1.363 60.003 61.300 0.110 0.000 1.025 319 I CB 1.908 39.805 38.000 -0.171 0.000 1.243 319 I HN 0.553 nan 8.210 nan 0.000 0.424 320 L N 6.761 127.652 121.223 -0.553 0.000 2.409 320 L HA 0.821 5.160 4.340 -0.001 0.000 0.272 320 L C -1.395 175.263 176.870 -0.352 0.000 0.980 320 L CA -0.512 53.918 54.840 -0.683 0.000 0.826 320 L CB 1.697 42.848 42.059 -1.512 0.000 1.268 320 L HN 0.858 nan 8.230 nan 0.000 0.407 321 L N 2.397 123.541 121.223 -0.133 0.000 2.720 321 L HA 1.109 5.449 4.340 -0.001 0.000 0.261 321 L C -0.843 175.815 176.870 -0.352 0.000 1.046 321 L CA -0.450 54.331 54.840 -0.099 0.000 0.886 321 L CB 1.913 43.904 42.059 -0.114 0.000 1.493 321 L HN 0.686 nan 8.230 nan 0.000 0.407 322 G N -0.086 108.307 108.800 -0.678 0.000 2.441 322 G HA2 0.585 4.544 3.960 -0.001 0.000 0.294 322 G HA3 0.585 4.544 3.960 -0.001 0.000 0.294 322 G C -1.588 172.981 174.900 -0.552 0.000 1.393 322 G CA -0.013 44.314 45.100 -1.287 0.000 0.796 322 G HN 1.418 nan 8.290 nan 0.000 0.494 323 V N -2.200 117.559 119.914 -0.258 0.000 3.102 323 V HA 0.842 4.962 4.120 -0.001 0.000 0.312 323 V C -0.900 175.308 176.094 0.190 0.000 1.135 323 V CA -1.474 60.880 62.300 0.090 0.000 1.022 323 V CB 2.000 33.899 31.823 0.127 0.000 1.056 323 V HN 0.659 nan 8.190 nan 0.000 0.436 324 N N 1.094 119.919 118.700 0.209 0.000 2.489 324 N HA 0.392 5.132 4.740 -0.001 0.000 0.284 324 N C 0.615 176.094 175.510 -0.052 0.000 1.158 324 N CA -0.553 52.584 53.050 0.145 0.000 0.965 324 N CB 1.711 40.380 38.487 0.305 0.000 1.195 324 N HN 0.920 nan 8.380 nan 0.000 0.506 325 K N 0.099 120.331 120.400 -0.280 0.000 2.074 325 K HA -0.119 4.201 4.320 -0.001 0.000 0.209 325 K C -0.567 176.114 176.600 0.136 0.000 1.048 325 K CA 1.406 57.618 56.287 -0.124 0.000 0.926 325 K CB 0.175 32.627 32.500 -0.079 0.000 0.713 325 K HN 0.521 nan 8.250 nan 0.000 0.444 326 D N 0.771 121.254 120.400 0.138 0.000 2.943 326 D HA 0.029 4.669 4.640 -0.001 0.000 0.347 326 D C 0.206 176.629 176.300 0.205 0.000 1.305 326 D CA -0.084 54.019 54.000 0.172 0.000 0.870 326 D CB 1.103 41.988 40.800 0.141 0.000 1.081 326 D HN 0.159 nan 8.370 nan 0.000 0.492 327 E N 0.574 120.914 120.200 0.234 0.000 2.130 327 E HA -0.159 4.191 4.350 -0.001 0.000 0.196 327 E C 1.983 178.760 176.600 0.294 0.000 0.998 327 E CA 0.935 57.512 56.400 0.294 0.000 0.806 327 E CB 0.011 29.864 29.700 0.255 0.000 0.738 327 E HN 0.428 nan 8.360 nan 0.000 0.459 328 G N 1.161 110.098 108.800 0.228 0.000 2.511 328 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.217 328 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.217 328 G C 1.724 176.760 174.900 0.226 0.000 1.133 328 G CA 0.944 46.187 45.100 0.237 0.000 0.792 328 G HN 0.387 nan 8.290 nan 0.000 0.539 329 S N 1.020 116.829 115.700 0.182 0.000 2.380 329 S HA -0.265 4.204 4.470 -0.001 0.000 0.229 329 S C 2.138 176.761 174.600 0.039 0.000 1.043 329 S CA 1.558 59.836 58.200 0.130 0.000 1.038 329 S CB -0.737 62.459 63.200 -0.008 0.000 0.872 329 S HN 0.557 nan 8.310 nan 0.000 0.456 330 F N 1.886 121.734 119.950 -0.170 0.000 2.126 330 F HA -0.046 4.480 4.527 -0.001 0.000 0.299 330 F C 1.679 177.305 175.800 -0.290 0.000 1.096 330 F CA 1.341 59.128 58.000 -0.355 0.000 1.255 330 F CB -0.430 38.209 39.000 -0.601 0.000 0.997 330 F HN 0.175 nan 8.300 nan 0.000 0.479 331 F N 0.659 120.146 119.950 -0.772 0.000 2.325 331 F HA -0.020 4.506 4.527 -0.000 0.000 0.299 331 F C 1.955 177.523 175.800 -0.387 0.000 1.090 331 F CA 0.831 58.354 58.000 -0.794 0.000 1.392 331 F CB -0.768 37.839 39.000 -0.655 0.000 1.053 331 F HN -0.001 nan 8.300 nan 0.000 0.521 332 L N -0.886 120.232 121.223 -0.174 0.000 2.131 332 L HA -0.139 4.201 4.340 -0.001 0.000 0.206 332 L C 2.409 179.111 176.870 -0.280 0.000 1.087 332 L CA 0.409 54.983 54.840 -0.442 0.000 0.767 332 L CB -0.640 40.759 42.059 -1.099 0.000 0.917 332 L HN 0.130 nan 8.230 nan 0.000 0.441 333 L N -0.822 120.413 121.223 0.020 0.000 2.013 333 L HA -0.276 4.063 4.340 -0.001 0.000 0.212 333 L C 2.407 179.400 176.870 0.205 0.000 1.073 333 L CA 2.094 57.127 54.840 0.321 0.000 0.753 333 L CB -0.688 41.625 42.059 0.422 0.000 0.890 333 L HN 0.115 nan 8.230 nan 0.000 0.432 334 Y N -0.564 119.723 120.300 -0.022 0.000 2.263 334 Y HA 0.107 4.656 4.550 -0.000 0.000 0.292 334 Y C 2.307 178.200 175.900 -0.011 0.000 1.130 334 Y CA 1.360 59.445 58.100 -0.026 0.000 1.179 334 Y CB -0.463 37.888 38.460 -0.182 0.000 0.998 334 Y HN 0.291 nan 8.280 nan 0.000 0.532 335 G N -1.752 107.108 108.800 0.101 0.000 3.695 335 G HA2 0.488 4.448 3.960 -0.001 0.000 0.277 335 G HA3 0.488 4.448 3.960 -0.001 0.000 0.277 335 G C -0.356 174.588 174.900 0.073 0.000 1.001 335 G CA 0.355 45.507 45.100 0.086 0.000 0.837 335 G HN 0.300 nan 8.290 nan 0.000 0.492 336 A N 1.638 124.507 122.820 0.081 0.000 2.318 336 A HA 0.824 5.144 4.320 -0.001 0.000 0.324 336 A C -2.539 175.215 177.584 0.283 0.000 1.170 336 A CA -1.610 50.516 52.037 0.147 0.000 0.810 336 A CB 1.556 20.611 19.000 0.092 0.000 1.198 336 A HN 0.065 nan 8.150 nan 0.000 0.484 337 P HA 0.270 nan 4.420 nan 0.000 0.268 337 P C 0.849 178.213 177.300 0.107 0.000 1.204 337 P CA 1.463 64.645 63.100 0.137 0.000 0.768 337 P CB 1.134 32.879 31.700 0.074 0.000 0.842 338 G N 1.665 110.474 108.800 0.016 0.000 2.213 338 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.226 338 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.226 338 G C -0.240 174.466 174.900 -0.323 0.000 0.992 338 G CA -0.485 44.507 45.100 -0.181 0.000 0.632 338 G HN 0.442 nan 8.290 nan 0.000 0.511 339 F N 2.142 122.048 119.950 -0.072 0.000 2.422 339 F HA 0.684 5.211 4.527 -0.000 0.000 0.333 339 F C 0.711 176.537 175.800 0.044 0.000 1.095 339 F CA 0.024 57.961 58.000 -0.105 0.000 1.038 339 F CB 2.251 41.229 39.000 -0.036 0.000 1.156 339 F HN 0.181 nan 8.300 nan 0.000 0.483 340 S N 1.149 117.013 115.700 0.274 0.000 2.550 340 S HA 0.292 4.761 4.470 -0.001 0.000 0.270 340 S C 0.305 175.154 174.600 0.416 0.000 1.145 340 S CA -1.276 57.102 58.200 0.297 0.000 0.852 340 S CB 2.103 65.397 63.200 0.157 0.000 1.119 340 S HN 0.719 nan 8.310 nan 0.000 0.465 341 K N 0.251 120.850 120.400 0.331 0.000 2.148 341 K HA -0.080 4.239 4.320 -0.001 0.000 0.204 341 K C -0.166 176.520 176.600 0.143 0.000 1.050 341 K CA 1.515 57.918 56.287 0.193 0.000 0.942 341 K CB -0.078 32.250 32.500 -0.287 0.000 0.724 341 K HN 0.547 nan 8.250 nan 0.000 0.446 342 D N 0.530 120.994 120.400 0.108 0.000 2.388 342 D HA 0.033 4.673 4.640 -0.001 0.000 0.221 342 D C -0.175 176.184 176.300 0.100 0.000 1.133 342 D CA 0.109 54.149 54.000 0.065 0.000 0.831 342 D CB 0.816 41.619 40.800 0.006 0.000 0.962 342 D HN 0.207 nan 8.370 nan 0.000 0.502 343 S N -1.349 114.443 115.700 0.153 0.000 2.667 343 S HA 0.346 4.816 4.470 -0.001 0.000 0.292 343 S C 0.713 175.383 174.600 0.117 0.000 1.126 343 S CA -0.724 57.530 58.200 0.090 0.000 0.881 343 S CB 2.347 65.555 63.200 0.013 0.000 1.132 343 S HN -0.146 nan 8.310 nan 0.000 0.492 344 E N 0.623 120.843 120.200 0.033 0.000 2.418 344 E HA 0.058 4.408 4.350 -0.001 0.000 0.197 344 E C -0.349 176.053 176.600 -0.330 0.000 1.026 344 E CA 0.528 56.941 56.400 0.021 0.000 0.862 344 E CB -0.189 29.521 29.700 0.016 0.000 0.799 344 E HN 0.713 nan 8.360 nan 0.000 0.518 345 S N 0.906 116.364 115.700 -0.404 0.000 3.706 345 S HA -0.163 4.307 4.470 -0.001 0.000 0.363 345 S C -0.284 173.961 174.600 -0.592 0.000 0.999 345 S CA 0.567 58.374 58.200 -0.654 0.000 1.143 345 S CB -1.172 61.274 63.200 -1.256 0.000 0.902 345 S HN 0.278 nan 8.310 nan 0.000 0.476 346 K N 0.864 121.056 120.400 -0.347 0.000 2.412 346 K HA 0.231 4.551 4.320 -0.001 0.000 0.281 346 K C 0.384 176.798 176.600 -0.311 0.000 1.027 346 K CA 0.018 56.149 56.287 -0.261 0.000 0.989 346 K CB 0.336 32.744 32.500 -0.155 0.000 0.935 346 K HN 0.216 nan 8.250 nan 0.000 0.475 347 I N 2.291 122.682 120.570 -0.298 0.000 2.437 347 I HA 0.081 4.251 4.170 -0.001 0.000 0.298 347 I C 0.977 177.015 176.117 -0.131 0.000 0.984 347 I CA -0.356 60.780 61.300 -0.274 0.000 1.214 347 I CB 1.399 39.231 38.000 -0.280 0.000 1.365 347 I HN 0.667 nan 8.210 nan 0.000 0.469 348 S N 6.308 121.952 115.700 -0.095 0.000 2.645 348 S HA 0.369 4.839 4.470 -0.001 0.000 0.266 348 S C 1.150 175.753 174.600 0.006 0.000 1.258 348 S CA -0.552 57.618 58.200 -0.050 0.000 0.990 348 S CB 1.494 64.670 63.200 -0.040 0.000 0.967 348 S HN 0.481 nan 8.310 nan 0.000 0.556 349 R N 0.889 121.388 120.500 -0.001 0.000 2.096 349 R HA -0.029 4.310 4.340 -0.001 0.000 0.235 349 R C 2.778 179.153 176.300 0.124 0.000 1.127 349 R CA 1.833 57.957 56.100 0.041 0.000 0.968 349 R CB -1.847 28.462 30.300 0.016 0.000 0.861 349 R HN 0.968 nan 8.270 nan 0.000 0.440 350 E N 1.487 121.731 120.200 0.073 0.000 2.051 350 E HA -0.169 4.181 4.350 -0.001 0.000 0.192 350 E C 1.636 178.283 176.600 0.079 0.000 0.991 350 E CA 1.629 58.072 56.400 0.072 0.000 0.799 350 E CB -0.532 29.192 29.700 0.039 0.000 0.748 350 E HN 0.297 nan 8.360 nan 0.000 0.449 351 D N -0.878 119.558 120.400 0.059 0.000 2.178 351 D HA -0.046 4.594 4.640 -0.001 0.000 0.202 351 D C 1.652 178.010 176.300 0.096 0.000 0.974 351 D CA 0.861 54.890 54.000 0.049 0.000 0.841 351 D CB -0.453 40.338 40.800 -0.015 0.000 0.953 351 D HN 0.451 nan 8.370 nan 0.000 0.478 352 F N 0.922 120.865 119.950 -0.010 0.000 2.095 352 F HA -0.162 4.364 4.527 -0.001 0.000 0.298 352 F C 2.275 178.094 175.800 0.032 0.000 1.104 352 F CA 1.383 59.392 58.000 0.014 0.000 1.232 352 F CB -0.186 38.804 39.000 -0.017 0.000 0.987 352 F HN -0.144 nan 8.300 nan 0.000 0.475 353 M N -0.214 119.479 119.600 0.153 0.000 2.229 353 M HA -0.150 4.330 4.480 -0.001 0.000 0.264 353 M C 2.272 178.557 176.300 -0.024 0.000 1.063 353 M CA 1.677 57.011 55.300 0.057 0.000 1.114 353 M CB -0.450 32.238 32.600 0.147 0.000 1.387 353 M HN 0.339 nan 8.290 nan 0.000 0.420 354 S N -0.335 115.366 115.700 0.001 0.000 2.453 354 S HA 0.004 4.474 4.470 -0.001 0.000 0.231 354 S C 1.933 176.511 174.600 -0.037 0.000 1.005 354 S CA 0.825 59.021 58.200 -0.007 0.000 0.949 354 S CB -0.915 62.297 63.200 0.019 0.000 0.774 354 S HN 0.522 nan 8.310 nan 0.000 0.510 355 G N 1.922 110.682 108.800 -0.067 0.000 2.402 355 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.216 355 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.216 355 G C 1.555 176.343 174.900 -0.188 0.000 1.162 355 G CA 0.908 45.953 45.100 -0.091 0.000 0.777 355 G HN 0.738 nan 8.290 nan 0.000 0.539 356 V N 0.083 119.819 119.914 -0.297 0.000 2.548 356 V HA 0.038 4.158 4.120 -0.001 0.000 0.249 356 V C 2.499 178.501 176.094 -0.152 0.000 1.055 356 V CA 2.592 64.739 62.300 -0.255 0.000 1.065 356 V CB -0.313 31.346 31.823 -0.273 0.000 0.681 356 V HN 0.235 nan 8.190 nan 0.000 0.462 357 K N 0.241 120.570 120.400 -0.119 0.000 2.026 357 K HA -0.073 4.247 4.320 -0.001 0.000 0.208 357 K C 1.886 178.424 176.600 -0.103 0.000 1.048 357 K CA 1.972 58.198 56.287 -0.101 0.000 0.929 357 K CB -0.872 31.590 32.500 -0.063 0.000 0.713 357 K HN 0.456 nan 8.250 nan 0.000 0.439 358 L N 0.704 121.880 121.223 -0.078 0.000 2.083 358 L HA -0.052 4.288 4.340 -0.001 0.000 0.209 358 L C 2.034 178.860 176.870 -0.073 0.000 1.083 358 L CA 1.662 56.467 54.840 -0.058 0.000 0.752 358 L CB -0.954 41.085 42.059 -0.032 0.000 0.899 358 L HN 0.131 nan 8.230 nan 0.000 0.433 359 S N -1.736 113.904 115.700 -0.100 0.000 2.461 359 S HA 0.051 4.521 4.470 -0.001 0.000 0.228 359 S C 0.957 175.472 174.600 -0.142 0.000 1.005 359 S CA 0.329 58.468 58.200 -0.103 0.000 0.942 359 S CB 0.288 63.413 63.200 -0.125 0.000 0.776 359 S HN 0.163 nan 8.310 nan 0.000 0.514 360 V N 3.067 122.859 119.914 -0.203 0.000 2.468 360 V HA 0.189 4.309 4.120 -0.001 0.000 0.256 360 V C -1.707 174.142 176.094 -0.408 0.000 0.998 360 V CA -1.339 60.741 62.300 -0.367 0.000 1.114 360 V CB 0.957 32.575 31.823 -0.341 0.000 1.378 360 V HN 0.159 nan 8.190 nan 0.000 0.573 361 P HA -0.233 nan 4.420 nan 0.000 0.217 361 P C 1.106 178.014 177.300 -0.654 0.000 1.151 361 P CA 1.757 64.658 63.100 -0.333 0.000 0.849 361 P CB -0.051 31.570 31.700 -0.131 0.000 0.787 362 H N -1.156 117.593 119.070 -0.534 0.000 2.547 362 H HA 0.527 5.082 4.556 -0.001 0.000 0.274 362 H C 0.283 175.413 175.328 -0.330 0.000 1.024 362 H CA -0.187 55.536 56.048 -0.542 0.000 1.155 362 H CB -0.412 29.179 29.762 -0.286 0.000 1.344 362 H HN 0.015 nan 8.280 nan 0.000 0.598 363 A N 1.962 124.465 122.820 -0.530 0.000 2.312 363 A HA 0.368 4.687 4.320 -0.001 0.000 0.326 363 A C 0.090 177.539 177.584 -0.225 0.000 1.172 363 A CA -0.780 51.042 52.037 -0.357 0.000 0.821 363 A CB 0.937 19.713 19.000 -0.373 0.000 1.166 363 A HN 0.605 nan 8.150 nan 0.000 0.493 364 N N 0.633 119.241 118.700 -0.153 0.000 2.405 364 N HA 0.169 4.909 4.740 -0.001 0.000 0.269 364 N C 0.361 175.823 175.510 -0.080 0.000 1.249 364 N CA 0.098 53.087 53.050 -0.102 0.000 0.974 364 N CB -0.175 38.267 38.487 -0.075 0.000 1.204 364 N HN 0.337 nan 8.380 nan 0.000 0.565 365 D N -1.069 119.301 120.400 -0.051 0.000 2.123 365 D HA -0.155 4.485 4.640 -0.001 0.000 0.196 365 D C 1.846 178.138 176.300 -0.014 0.000 0.992 365 D CA 1.293 55.276 54.000 -0.028 0.000 0.833 365 D CB -0.343 40.447 40.800 -0.016 0.000 0.954 365 D HN 0.507 nan 8.370 nan 0.000 0.455 366 L N 0.806 122.018 121.223 -0.019 0.000 2.046 366 L HA 0.055 4.394 4.340 -0.001 0.000 0.208 366 L C 2.550 179.423 176.870 0.006 0.000 1.077 366 L CA 2.217 57.056 54.840 -0.002 0.000 0.747 366 L CB -1.003 41.047 42.059 -0.014 0.000 0.896 366 L HN 0.190 nan 8.230 nan 0.000 0.432 367 G N -0.636 108.142 108.800 -0.037 0.000 2.402 367 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.216 367 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.216 367 G C 1.584 176.480 174.900 -0.006 0.000 1.162 367 G CA 0.932 46.003 45.100 -0.049 0.000 0.777 367 G HN 0.424 nan 8.290 nan 0.000 0.539 368 L N 0.405 121.613 121.223 -0.025 0.000 2.131 368 L HA -0.047 4.293 4.340 -0.001 0.000 0.210 368 L C 2.381 179.290 176.870 0.066 0.000 1.092 368 L CA 0.978 55.817 54.840 -0.002 0.000 0.759 368 L CB -0.283 41.760 42.059 -0.026 0.000 0.903 368 L HN 0.079 nan 8.230 nan 0.000 0.435 369 D N 0.080 120.524 120.400 0.074 0.000 2.144 369 D HA -0.112 4.528 4.640 -0.001 0.000 0.200 369 D C 2.238 178.629 176.300 0.151 0.000 0.978 369 D CA 1.337 55.404 54.000 0.112 0.000 0.833 369 D CB 0.029 40.877 40.800 0.081 0.000 0.961 369 D HN 0.281 nan 8.370 nan 0.000 0.470 370 A N 0.364 123.287 122.820 0.172 0.000 1.898 370 A HA -0.118 4.202 4.320 -0.001 0.000 0.216 370 A C 2.467 180.186 177.584 0.224 0.000 1.181 370 A CA 1.098 53.299 52.037 0.273 0.000 0.620 370 A CB -0.659 18.599 19.000 0.429 0.000 0.819 370 A HN 0.139 nan 8.150 nan 0.000 0.442 371 V N -0.326 119.721 119.914 0.220 0.000 2.307 371 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 371 V C 2.747 178.949 176.094 0.179 0.000 1.045 371 V CA 2.453 64.826 62.300 0.122 0.000 1.024 371 V CB -1.277 30.623 31.823 0.128 0.000 0.651 371 V HN 0.594 nan 8.190 nan 0.000 0.449 372 T N 0.646 115.330 114.554 0.217 0.000 2.720 372 T HA -0.219 4.130 4.350 -0.001 0.000 0.268 372 T C 1.891 176.785 174.700 0.323 0.000 1.037 372 T CA 1.970 64.277 62.100 0.344 0.000 1.144 372 T CB -0.372 68.708 68.868 0.353 0.000 0.864 372 T HN 0.311 nan 8.240 nan 0.000 0.444 373 L N 1.046 122.440 121.223 0.285 0.000 2.093 373 L HA -0.013 4.326 4.340 -0.001 0.000 0.208 373 L C 2.432 179.369 176.870 0.111 0.000 1.085 373 L CA 1.736 56.771 54.840 0.325 0.000 0.755 373 L CB -0.643 41.541 42.059 0.209 0.000 0.904 373 L HN 0.098 nan 8.230 nan 0.000 0.435 374 Q N -1.523 118.226 119.800 -0.086 0.000 2.224 374 Q HA -0.153 4.187 4.340 -0.001 0.000 0.203 374 Q C 0.967 176.702 176.000 -0.443 0.000 0.970 374 Q CA 1.698 57.267 55.803 -0.390 0.000 0.865 374 Q CB -0.114 28.074 28.738 -0.917 0.000 0.922 374 Q HN 0.701 nan 8.270 nan 0.000 0.445 375 Y N -1.500 118.756 120.300 -0.073 0.000 2.531 375 Y HA 0.331 4.881 4.550 -0.001 0.000 0.249 375 Y C -0.208 175.633 175.900 -0.098 0.000 1.168 375 Y CA -0.244 57.859 58.100 0.005 0.000 1.226 375 Y CB 1.113 39.678 38.460 0.175 0.000 1.177 375 Y HN -0.196 nan 8.280 nan 0.000 0.527 376 T N 0.826 115.276 114.554 -0.172 0.000 2.771 376 T HA 0.095 4.444 4.350 -0.001 0.000 0.281 376 T C -0.856 173.466 174.700 -0.629 0.000 0.982 376 T CA -0.641 61.102 62.100 -0.595 0.000 0.978 376 T CB 0.982 69.178 68.868 -1.119 0.000 0.930 376 T HN -0.010 nan 8.240 nan 0.000 0.447 377 D N 2.146 122.236 120.400 -0.518 0.000 2.393 377 D HA 0.104 4.744 4.640 -0.001 0.000 0.232 377 D C -0.017 176.038 176.300 -0.408 0.000 1.192 377 D CA -0.764 53.039 54.000 -0.328 0.000 0.882 377 D CB 0.376 41.053 40.800 -0.206 0.000 1.038 377 D HN 0.594 nan 8.370 nan 0.000 0.499 378 W N 3.233 124.493 121.300 -0.066 0.000 2.961 378 W HA 0.060 4.719 4.660 -0.001 0.000 0.240 378 W C 1.775 178.264 176.519 -0.050 0.000 1.305 378 W CA -0.103 57.206 57.345 -0.060 0.000 1.465 378 W CB -0.123 29.306 29.460 -0.050 0.000 1.135 378 W HN 0.401 nan 8.180 nan 0.000 0.688 379 M N -0.923 118.717 119.600 0.066 0.000 2.502 379 M HA 0.091 4.571 4.480 -0.001 0.000 0.243 379 M C 0.213 176.513 176.300 0.000 0.000 1.130 379 M CA 1.029 56.356 55.300 0.045 0.000 1.055 379 M CB 0.233 32.846 32.600 0.021 0.000 1.457 379 M HN -0.213 nan 8.290 nan 0.000 0.488 380 D N 0.584 120.953 120.400 -0.053 0.000 3.256 380 D HA 0.012 4.652 4.640 -0.001 0.000 0.332 380 D C 0.407 176.616 176.300 -0.151 0.000 1.327 380 D CA 0.079 54.032 54.000 -0.079 0.000 0.735 380 D CB 0.265 41.020 40.800 -0.075 0.000 1.280 380 D HN 0.216 nan 8.370 nan 0.000 0.572 381 D N -0.828 119.475 120.400 -0.161 0.000 2.309 381 D HA -0.143 4.496 4.640 -0.001 0.000 0.212 381 D C 0.526 176.690 176.300 -0.227 0.000 0.968 381 D CA 0.401 54.231 54.000 -0.283 0.000 0.882 381 D CB 0.149 40.809 40.800 -0.233 0.000 0.918 381 D HN 0.145 nan 8.370 nan 0.000 0.503 382 N N 0.747 119.367 118.700 -0.132 0.000 2.273 382 N HA -0.023 4.716 4.740 -0.001 0.000 0.231 382 N C -0.276 175.172 175.510 -0.103 0.000 1.134 382 N CA -0.203 52.782 53.050 -0.108 0.000 0.856 382 N CB 0.083 38.535 38.487 -0.060 0.000 1.068 382 N HN 0.147 nan 8.380 nan 0.000 0.510 383 N N 0.718 119.343 118.700 -0.124 0.000 2.402 383 N HA 0.076 4.816 4.740 -0.001 0.000 0.252 383 N C 1.293 176.738 175.510 -0.109 0.000 1.118 383 N CA -0.067 52.923 53.050 -0.100 0.000 0.945 383 N CB 0.952 39.382 38.487 -0.095 0.000 1.147 383 N HN 0.139 nan 8.380 nan 0.000 0.495 384 G N 3.933 112.677 108.800 -0.094 0.000 2.450 384 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.220 384 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.220 384 G C 1.460 176.303 174.900 -0.094 0.000 1.130 384 G CA 0.535 45.572 45.100 -0.105 0.000 0.760 384 G HN 0.696 nan 8.290 nan 0.000 0.557 385 I N -0.302 120.231 120.570 -0.062 0.000 2.406 385 I HA -0.044 4.126 4.170 -0.001 0.000 0.249 385 I C 2.744 178.861 176.117 0.001 0.000 1.122 385 I CA 0.883 62.169 61.300 -0.024 0.000 1.431 385 I CB -0.104 37.896 38.000 0.001 0.000 1.087 385 I HN 0.102 nan 8.210 nan 0.000 0.424 386 K N 0.633 121.015 120.400 -0.031 0.000 2.148 386 K HA -0.113 4.207 4.320 -0.001 0.000 0.204 386 K C 1.847 178.429 176.600 -0.031 0.000 1.050 386 K CA 1.079 57.346 56.287 -0.032 0.000 0.942 386 K CB -0.030 32.416 32.500 -0.090 0.000 0.724 386 K HN 0.243 nan 8.250 nan 0.000 0.446 387 N N 0.656 119.307 118.700 -0.080 0.000 2.142 387 N HA -0.147 4.593 4.740 -0.001 0.000 0.186 387 N C 1.654 177.294 175.510 0.217 0.000 1.023 387 N CA 0.937 53.969 53.050 -0.031 0.000 0.852 387 N CB -0.139 38.291 38.487 -0.095 0.000 0.998 387 N HN 0.174 nan 8.380 nan 0.000 0.424 388 R N 1.054 121.611 120.500 0.095 0.000 2.070 388 R HA -0.112 4.228 4.340 -0.001 0.000 0.233 388 R C 0.867 177.337 176.300 0.285 0.000 1.137 388 R CA 1.662 57.846 56.100 0.141 0.000 0.945 388 R CB -0.110 30.175 30.300 -0.025 0.000 0.845 388 R HN 0.078 nan 8.270 nan 0.000 0.430 389 D N -0.627 119.906 120.400 0.222 0.000 2.178 389 D HA -0.099 4.541 4.640 -0.001 0.000 0.201 389 D C 1.683 178.142 176.300 0.265 0.000 0.980 389 D CA 1.461 55.607 54.000 0.244 0.000 0.842 389 D CB -0.463 40.450 40.800 0.188 0.000 0.948 389 D HN 0.542 nan 8.370 nan 0.000 0.472 390 G N 0.442 109.416 108.800 0.289 0.000 2.408 390 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.217 390 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.217 390 G C 1.513 176.598 174.900 0.308 0.000 1.150 390 G CA 0.123 45.451 45.100 0.379 0.000 0.776 390 G HN 0.183 nan 8.290 nan 0.000 0.542 391 L N 1.041 122.457 121.223 0.322 0.000 2.093 391 L HA 0.041 4.380 4.340 -0.001 0.000 0.208 391 L C 2.213 179.131 176.870 0.081 0.000 1.085 391 L CA 1.713 56.615 54.840 0.103 0.000 0.755 391 L CB -0.557 41.621 42.059 0.198 0.000 0.904 391 L HN 0.170 nan 8.230 nan 0.000 0.435 392 D N -0.472 120.044 120.400 0.193 0.000 2.097 392 D HA -0.208 4.431 4.640 -0.001 0.000 0.195 392 D C 1.597 177.976 176.300 0.131 0.000 0.989 392 D CA 1.353 55.464 54.000 0.184 0.000 0.827 392 D CB 0.093 41.067 40.800 0.291 0.000 0.966 392 D HN 0.319 nan 8.370 nan 0.000 0.456 393 D N -0.055 120.442 120.400 0.162 0.000 2.178 393 D HA -0.094 4.545 4.640 -0.001 0.000 0.201 393 D C 2.320 178.634 176.300 0.025 0.000 0.980 393 D CA 0.324 54.431 54.000 0.179 0.000 0.842 393 D CB -0.113 40.899 40.800 0.353 0.000 0.948 393 D HN 0.380 nan 8.370 nan 0.000 0.472 394 I N 0.418 120.858 120.570 -0.217 0.000 2.179 394 I HA -0.238 3.932 4.170 -0.001 0.000 0.242 394 I C 2.445 178.408 176.117 -0.256 0.000 1.088 394 I CA 0.659 61.719 61.300 -0.401 0.000 1.357 394 I CB -0.127 37.607 38.000 -0.443 0.000 1.051 394 I HN -0.118 nan 8.210 nan 0.000 0.409 395 V N 0.891 120.710 119.914 -0.158 0.000 2.295 395 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 395 V C 2.547 178.528 176.094 -0.190 0.000 1.049 395 V CA 2.275 64.487 62.300 -0.146 0.000 1.024 395 V CB -1.413 30.383 31.823 -0.046 0.000 0.648 395 V HN 0.583 nan 8.190 nan 0.000 0.447 396 G N -0.519 108.236 108.800 -0.075 0.000 2.402 396 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.216 396 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.216 396 G C 1.241 176.072 174.900 -0.115 0.000 1.162 396 G CA 0.978 46.055 45.100 -0.038 0.000 0.777 396 G HN 0.496 nan 8.290 nan 0.000 0.539 397 D N -0.085 120.245 120.400 -0.117 0.000 2.084 397 D HA -0.111 4.529 4.640 -0.001 0.000 0.194 397 D C 2.102 178.092 176.300 -0.515 0.000 0.990 397 D CA 1.411 55.312 54.000 -0.165 0.000 0.826 397 D CB -0.514 40.323 40.800 0.062 0.000 0.971 397 D HN 0.434 nan 8.370 nan 0.000 0.453 398 H N 0.628 119.077 119.070 -1.036 0.000 2.389 398 H HA 0.039 4.594 4.556 -0.001 0.000 0.299 398 H C 1.473 176.419 175.328 -0.637 0.000 1.081 398 H CA 1.601 56.921 56.048 -1.213 0.000 1.345 398 H CB 0.094 28.908 29.762 -1.580 0.000 1.393 398 H HN 0.001 nan 8.280 nan 0.000 0.520 399 N N -0.840 117.379 118.700 -0.802 0.000 2.409 399 N HA 0.010 4.750 4.740 -0.001 0.000 0.174 399 N C 1.112 176.350 175.510 -0.454 0.000 1.037 399 N CA 1.018 53.551 53.050 -0.861 0.000 0.898 399 N CB 1.101 38.683 38.487 -1.508 0.000 1.010 399 N HN 0.266 nan 8.380 nan 0.000 0.445 400 V N 0.556 120.295 119.914 -0.291 0.000 3.278 400 V HA 0.159 4.279 4.120 -0.001 0.000 0.215 400 V C 2.085 178.157 176.094 -0.036 0.000 1.287 400 V CA -0.049 62.217 62.300 -0.057 0.000 1.302 400 V CB 0.149 32.014 31.823 0.069 0.000 1.228 400 V HN -0.055 nan 8.190 nan 0.000 0.523 401 I N 0.639 121.198 120.570 -0.019 0.000 2.099 401 I HA -0.302 3.868 4.170 -0.001 0.000 0.239 401 I C 2.566 178.689 176.117 0.010 0.000 1.066 401 I CA 2.001 63.314 61.300 0.023 0.000 1.324 401 I CB -0.533 37.516 38.000 0.083 0.000 1.037 401 I HN 0.388 nan 8.210 nan 0.000 0.401 402 c N 0.679 119.274 118.600 -0.008 0.000 2.435 402 c HA -0.034 4.536 4.570 -0.001 0.000 0.279 402 c C 0.232 174.350 174.090 0.047 0.000 1.321 402 c CA 0.636 57.003 56.329 0.063 0.000 1.752 402 c CB -1.820 40.775 42.510 0.142 0.000 1.959 402 c HN 0.378 nan 8.230 nan 0.000 0.500 403 P HA -0.071 nan 4.420 nan 0.000 0.217 403 P C 1.751 179.078 177.300 0.044 0.000 1.151 403 P CA 0.991 64.067 63.100 -0.041 0.000 0.828 403 P CB -0.172 31.415 31.700 -0.189 0.000 0.788 404 L N -1.626 119.602 121.223 0.009 0.000 2.046 404 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 404 L C 2.131 179.043 176.870 0.071 0.000 1.077 404 L CA 1.708 56.568 54.840 0.034 0.000 0.747 404 L CB -0.570 41.482 42.059 -0.013 0.000 0.896 404 L HN -0.115 nan 8.230 nan 0.000 0.432 405 M N -1.101 118.529 119.600 0.050 0.000 2.159 405 M HA -0.237 4.243 4.480 -0.001 0.000 0.263 405 M C 2.274 178.635 176.300 0.102 0.000 1.063 405 M CA 1.692 57.018 55.300 0.043 0.000 1.110 405 M CB -1.590 31.050 32.600 0.067 0.000 1.374 405 M HN 0.449 nan 8.290 nan 0.000 0.411 406 H N -0.302 118.802 119.070 0.058 0.000 2.423 406 H HA -0.145 4.411 4.556 -0.001 0.000 0.297 406 H C 1.813 177.181 175.328 0.067 0.000 1.075 406 H CA 1.645 57.733 56.048 0.066 0.000 1.342 406 H CB -0.189 29.610 29.762 0.063 0.000 1.395 406 H HN 0.254 nan 8.280 nan 0.000 0.530 407 F N -0.200 119.719 119.950 -0.052 0.000 2.163 407 F HA -0.103 4.424 4.527 -0.001 0.000 0.297 407 F C 2.359 178.082 175.800 -0.129 0.000 1.094 407 F CA 1.261 59.185 58.000 -0.125 0.000 1.290 407 F CB -0.745 38.186 39.000 -0.114 0.000 1.017 407 F HN 0.128 nan 8.300 nan 0.000 0.483 408 V N 1.108 120.923 119.914 -0.164 0.000 2.427 408 V HA -0.251 3.869 4.120 -0.001 0.000 0.248 408 V C 2.120 178.067 176.094 -0.245 0.000 1.051 408 V CA 2.453 64.554 62.300 -0.331 0.000 1.048 408 V CB -0.635 30.904 31.823 -0.473 0.000 0.666 408 V HN 0.430 nan 8.190 nan 0.000 0.456 409 N N -0.051 118.576 118.700 -0.121 0.000 2.188 409 N HA -0.099 4.640 4.740 -0.001 0.000 0.184 409 N C 1.768 177.245 175.510 -0.055 0.000 1.018 409 N CA 1.067 54.137 53.050 0.035 0.000 0.858 409 N CB -0.171 38.366 38.487 0.083 0.000 0.989 409 N HN 0.431 nan 8.380 nan 0.000 0.426 410 K N 0.311 120.589 120.400 -0.203 0.000 2.103 410 K HA -0.078 4.242 4.320 -0.001 0.000 0.204 410 K C 1.848 178.415 176.600 -0.055 0.000 1.052 410 K CA 0.486 56.685 56.287 -0.146 0.000 0.945 410 K CB -0.556 31.790 32.500 -0.256 0.000 0.722 410 K HN 0.285 nan 8.250 nan 0.000 0.443 411 Y N 2.224 122.278 120.300 -0.409 0.000 2.163 411 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 411 Y C 2.228 178.142 175.900 0.023 0.000 1.136 411 Y CA 1.835 59.715 58.100 -0.366 0.000 1.147 411 Y CB -0.356 37.595 38.460 -0.849 0.000 0.987 411 Y HN -0.006 nan 8.280 nan 0.000 0.509 412 T N -0.510 114.101 114.554 0.095 0.000 2.822 412 T HA -0.255 4.094 4.350 -0.001 0.000 0.270 412 T C 1.971 176.682 174.700 0.019 0.000 1.064 412 T CA 1.680 63.864 62.100 0.140 0.000 1.131 412 T CB -0.358 68.688 68.868 0.297 0.000 0.858 412 T HN 0.183 nan 8.240 nan 0.000 0.483 413 K N 0.099 120.471 120.400 -0.046 0.000 2.283 413 K HA 0.022 4.342 4.320 -0.001 0.000 0.202 413 K C 1.267 177.582 176.600 -0.475 0.000 1.048 413 K CA 0.840 56.966 56.287 -0.268 0.000 0.948 413 K CB -0.571 31.715 32.500 -0.357 0.000 0.742 413 K HN 0.654 nan 8.250 nan 0.000 0.458 414 F N -1.272 118.612 119.950 -0.109 0.000 2.834 414 F HA 0.417 4.943 4.527 -0.001 0.000 0.332 414 F C 1.534 177.216 175.800 -0.196 0.000 1.056 414 F CA -0.216 57.679 58.000 -0.175 0.000 1.178 414 F CB 0.182 39.001 39.000 -0.302 0.000 1.037 414 F HN 0.226 nan 8.300 nan 0.000 0.580 415 G N -0.065 108.685 108.800 -0.083 0.000 2.611 415 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.273 415 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.273 415 G C 0.301 175.267 174.900 0.110 0.000 1.305 415 G CA -0.321 44.768 45.100 -0.019 0.000 1.010 415 G HN 0.258 nan 8.290 nan 0.000 0.509 416 N N -0.431 118.385 118.700 0.193 0.000 2.275 416 N HA 0.301 5.041 4.740 -0.001 0.000 0.236 416 N C 0.232 175.831 175.510 0.148 0.000 1.154 416 N CA 0.470 53.601 53.050 0.136 0.000 0.866 416 N CB 0.335 38.890 38.487 0.115 0.000 1.093 416 N HN 0.897 nan 8.380 nan 0.000 0.515 417 G N 0.427 109.330 108.800 0.173 0.000 2.350 417 G HA2 0.008 3.968 3.960 -0.001 0.000 0.274 417 G HA3 0.008 3.968 3.960 -0.001 0.000 0.274 417 G C -1.314 173.646 174.900 0.100 0.000 1.621 417 G CA -0.775 44.387 45.100 0.103 0.000 0.935 417 G HN 0.028 nan 8.290 nan 0.000 0.694 418 T N 1.353 115.839 114.554 -0.114 0.000 2.886 418 T HA 0.693 5.042 4.350 -0.001 0.000 0.292 418 T C -1.358 173.086 174.700 -0.427 0.000 1.012 418 T CA -0.399 61.636 62.100 -0.109 0.000 0.982 418 T CB 1.457 70.351 68.868 0.044 0.000 1.018 418 T HN 0.465 nan 8.240 nan 0.000 0.451 419 Y N 1.859 122.077 120.300 -0.136 0.000 2.329 419 Y HA 0.635 5.185 4.550 -0.001 0.000 0.328 419 Y C -0.579 175.377 175.900 0.093 0.000 0.992 419 Y CA -1.101 56.873 58.100 -0.211 0.000 1.151 419 Y CB 1.492 39.371 38.460 -0.969 0.000 1.150 419 Y HN 0.433 nan 8.280 nan 0.000 0.450 420 L N 6.033 127.610 121.223 0.590 0.000 2.307 420 L HA 0.603 4.943 4.340 -0.001 0.000 0.284 420 L C -1.193 176.111 176.870 0.723 0.000 1.023 420 L CA -0.968 54.161 54.840 0.482 0.000 0.810 420 L CB 0.560 42.758 42.059 0.231 0.000 1.231 420 L HN 0.527 nan 8.230 nan 0.000 0.423 421 Y N 3.421 124.018 120.300 0.495 0.000 2.536 421 Y HA 0.720 5.270 4.550 -0.001 0.000 0.347 421 Y C -1.800 174.353 175.900 0.423 0.000 1.000 421 Y CA -2.063 56.271 58.100 0.389 0.000 1.051 421 Y CB 1.305 39.941 38.460 0.293 0.000 1.259 421 Y HN 0.523 nan 8.280 nan 0.000 0.468 422 F N 4.855 125.111 119.950 0.509 0.000 2.500 422 F HA 0.481 5.008 4.527 -0.001 0.000 0.349 422 F C -1.923 174.185 175.800 0.514 0.000 1.127 422 F CA -1.874 56.370 58.000 0.406 0.000 0.998 422 F CB 0.771 39.989 39.000 0.363 0.000 1.237 422 F HN 0.571 nan 8.300 nan 0.000 0.439 423 F N 8.125 128.150 119.950 0.125 0.000 2.390 423 F HA 0.328 4.855 4.527 -0.001 0.000 0.361 423 F C 0.085 175.746 175.800 -0.231 0.000 1.124 423 F CA -0.389 57.629 58.000 0.029 0.000 1.149 423 F CB 0.561 39.649 39.000 0.147 0.000 1.160 423 F HN 0.531 nan 8.300 nan 0.000 0.501 424 N N 3.410 121.773 118.700 -0.562 0.000 2.517 424 N HA 0.083 4.822 4.740 -0.001 0.000 0.285 424 N C -1.217 174.041 175.510 -0.420 0.000 1.528 424 N CA -0.490 52.303 53.050 -0.429 0.000 0.892 424 N CB -0.676 37.697 38.487 -0.190 0.000 1.356 424 N HN 0.622 nan 8.380 nan 0.000 0.495 425 H N 0.712 119.222 119.070 -0.933 0.000 2.552 425 H HA 0.494 5.050 4.556 -0.001 0.000 0.311 425 H C -0.327 174.812 175.328 -0.316 0.000 1.071 425 H CA -0.603 55.081 56.048 -0.607 0.000 1.307 425 H CB 0.981 30.300 29.762 -0.737 0.000 1.416 425 H HN 0.117 nan 8.280 nan 0.000 0.464 426 R N 4.238 124.335 120.500 -0.672 0.000 2.210 426 R HA 0.486 4.826 4.340 -0.001 0.000 0.338 426 R C -0.801 175.201 176.300 -0.496 0.000 1.062 426 R CA -0.256 55.622 56.100 -0.370 0.000 0.902 426 R CB -0.025 30.140 30.300 -0.225 0.000 1.050 426 R HN 0.720 nan 8.270 nan 0.000 0.461 427 A N 3.323 126.124 122.820 -0.032 0.000 2.498 427 A HA 0.139 4.458 4.320 -0.001 0.000 0.239 427 A C 1.201 178.849 177.584 0.107 0.000 1.068 427 A CA 0.356 52.551 52.037 0.264 0.000 0.766 427 A CB 0.180 19.520 19.000 0.568 0.000 1.003 427 A HN 1.056 nan 8.150 nan 0.000 0.497 428 S N 1.330 117.126 115.700 0.160 0.000 2.402 428 S HA -0.166 4.304 4.470 -0.001 0.000 0.229 428 S C 0.914 175.493 174.600 -0.035 0.000 1.021 428 S CA 1.197 59.428 58.200 0.052 0.000 0.974 428 S CB -0.477 62.774 63.200 0.085 0.000 0.800 428 S HN 0.907 nan 8.310 nan 0.000 0.484 429 N N 0.889 119.520 118.700 -0.115 0.000 2.295 429 N HA 0.251 4.991 4.740 -0.001 0.000 0.221 429 N C -0.298 175.129 175.510 -0.139 0.000 1.129 429 N CA -0.422 52.515 53.050 -0.188 0.000 0.836 429 N CB -0.614 37.643 38.487 -0.382 0.000 1.040 429 N HN 0.351 nan 8.380 nan 0.000 0.494 430 L N 1.417 122.604 121.223 -0.060 0.000 2.499 430 L HA 0.009 4.349 4.340 -0.001 0.000 0.273 430 L C 1.269 178.089 176.870 -0.085 0.000 1.195 430 L CA 0.024 54.840 54.840 -0.041 0.000 0.882 430 L CB 0.990 43.044 42.059 -0.008 0.000 1.133 430 L HN 0.228 nan 8.230 nan 0.000 0.483 431 V N 1.008 120.821 119.914 -0.169 0.000 3.649 431 V HA 0.149 4.269 4.120 -0.001 0.000 0.275 431 V C 0.393 176.402 176.094 -0.141 0.000 1.281 431 V CA -0.443 61.730 62.300 -0.211 0.000 1.143 431 V CB -1.251 30.327 31.823 -0.409 0.000 0.892 431 V HN 0.644 nan 8.190 nan 0.000 0.441 432 W N 1.892 123.173 121.300 -0.030 0.000 2.303 432 W HA 0.567 5.227 4.660 -0.000 0.000 0.334 432 W C -1.761 174.672 176.519 -0.143 0.000 1.197 432 W CA -2.301 55.008 57.345 -0.060 0.000 1.262 432 W CB 0.169 29.507 29.460 -0.203 0.000 1.153 432 W HN -0.030 nan 8.180 nan 0.000 0.596 433 P HA -0.057 nan 4.420 nan 0.000 0.268 433 P C 0.471 177.714 177.300 -0.095 0.000 1.208 433 P CA 0.203 63.295 63.100 -0.014 0.000 0.777 433 P CB 1.158 32.879 31.700 0.034 0.000 0.875 434 E N 1.404 121.612 120.200 0.014 0.000 2.130 434 E HA -0.158 4.192 4.350 -0.001 0.000 0.196 434 E C 1.705 178.339 176.600 0.057 0.000 0.998 434 E CA 1.958 58.378 56.400 0.034 0.000 0.806 434 E CB -0.829 28.924 29.700 0.088 0.000 0.738 434 E HN 0.789 nan 8.360 nan 0.000 0.459 435 W N -0.497 120.862 121.300 0.098 0.000 2.387 435 W HA -0.113 4.547 4.660 -0.001 0.000 0.272 435 W C 1.644 178.240 176.519 0.129 0.000 1.224 435 W CA 0.880 58.293 57.345 0.114 0.000 1.210 435 W CB -0.749 28.789 29.460 0.130 0.000 1.125 435 W HN 0.265 nan 8.180 nan 0.000 0.572 436 M N 1.316 120.545 119.600 -0.618 0.000 2.562 436 M HA 0.127 4.606 4.480 -0.001 0.000 0.257 436 M C 1.750 177.938 176.300 -0.187 0.000 1.099 436 M CA 1.466 56.392 55.300 -0.623 0.000 1.099 436 M CB -0.650 31.424 32.600 -0.876 0.000 1.427 436 M HN 0.170 nan 8.290 nan 0.000 0.489 437 G N 0.546 109.295 108.800 -0.085 0.000 2.574 437 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.286 437 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.286 437 G C -0.197 174.689 174.900 -0.023 0.000 1.212 437 G CA -0.222 44.870 45.100 -0.013 0.000 0.979 437 G HN 0.215 nan 8.290 nan 0.000 0.557 438 V N 1.908 121.839 119.914 0.028 0.000 2.322 438 V HA 0.403 4.523 4.120 -0.001 0.000 0.258 438 V C 1.083 177.269 176.094 0.155 0.000 1.074 438 V CA -0.157 62.199 62.300 0.093 0.000 0.909 438 V CB 0.161 32.022 31.823 0.064 0.000 1.090 438 V HN 0.542 nan 8.190 nan 0.000 0.486 439 I N 2.992 123.639 120.570 0.129 0.000 2.754 439 I HA 0.109 4.279 4.170 -0.001 0.000 0.285 439 I C 0.915 177.243 176.117 0.353 0.000 1.166 439 I CA -0.421 60.972 61.300 0.155 0.000 1.417 439 I CB 0.187 38.120 38.000 -0.111 0.000 1.382 439 I HN 0.566 nan 8.210 nan 0.000 0.588 440 H N 4.248 123.416 119.070 0.164 0.000 3.157 440 H HA 0.156 4.712 4.556 -0.001 0.000 0.299 440 H C 0.964 176.298 175.328 0.011 0.000 0.961 440 H CA 1.002 57.127 56.048 0.129 0.000 1.428 440 H CB 0.118 29.975 29.762 0.157 0.000 1.459 440 H HN 0.754 nan 8.280 nan 0.000 0.566 441 G N 3.719 112.400 108.800 -0.197 0.000 2.213 441 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.236 441 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.236 441 G C 0.663 175.532 174.900 -0.052 0.000 0.991 441 G CA 0.349 45.317 45.100 -0.220 0.000 0.629 441 G HN 0.624 nan 8.290 nan 0.000 0.517 442 Y N 1.721 122.138 120.300 0.195 0.000 2.477 442 Y HA 0.231 4.781 4.550 -0.001 0.000 0.303 442 Y C 2.324 178.344 175.900 0.200 0.000 1.202 442 Y CA 1.079 59.341 58.100 0.270 0.000 1.282 442 Y CB 0.368 39.018 38.460 0.316 0.000 1.071 442 Y HN 0.526 nan 8.280 nan 0.000 0.510 443 E N -0.096 120.069 120.200 -0.058 0.000 2.415 443 E HA -0.041 4.308 4.350 -0.001 0.000 0.197 443 E C 1.654 178.165 176.600 -0.149 0.000 1.007 443 E CA 0.518 56.566 56.400 -0.587 0.000 0.890 443 E CB -0.430 28.627 29.700 -1.070 0.000 0.891 443 E HN 0.513 nan 8.360 nan 0.000 0.496 444 I N 2.786 123.367 120.570 0.018 0.000 2.151 444 I HA -0.324 3.845 4.170 -0.001 0.000 0.243 444 I C 2.665 178.816 176.117 0.057 0.000 1.080 444 I CA 2.241 63.604 61.300 0.105 0.000 1.339 444 I CB -0.520 37.591 38.000 0.184 0.000 1.039 444 I HN 0.240 nan 8.210 nan 0.000 0.409 445 E N 0.922 121.100 120.200 -0.037 0.000 2.209 445 E HA -0.246 4.104 4.350 -0.001 0.000 0.196 445 E C 2.017 178.435 176.600 -0.304 0.000 0.993 445 E CA 1.568 57.864 56.400 -0.174 0.000 0.819 445 E CB -0.526 29.060 29.700 -0.189 0.000 0.745 445 E HN 0.449 nan 8.360 nan 0.000 0.477 446 F N 0.959 120.800 119.950 -0.182 0.000 2.335 446 F HA -0.002 4.525 4.527 -0.001 0.000 0.296 446 F C 2.331 177.944 175.800 -0.311 0.000 1.091 446 F CA 0.466 58.320 58.000 -0.243 0.000 1.399 446 F CB -0.050 38.846 39.000 -0.173 0.000 1.067 446 F HN -0.130 nan 8.300 nan 0.000 0.520 447 V N -1.063 118.752 119.914 -0.164 0.000 2.453 447 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 447 V C 1.697 177.598 176.094 -0.321 0.000 1.048 447 V CA 1.544 63.609 62.300 -0.392 0.000 1.049 447 V CB -0.609 31.021 31.823 -0.322 0.000 0.672 447 V HN 0.188 nan 8.190 nan 0.000 0.457 448 F N 0.625 120.422 119.950 -0.255 0.000 2.797 448 F HA 0.388 4.915 4.527 -0.001 0.000 0.302 448 F C 1.788 177.472 175.800 -0.193 0.000 1.130 448 F CA 0.590 58.465 58.000 -0.208 0.000 1.387 448 F CB -0.422 38.441 39.000 -0.228 0.000 1.107 448 F HN 0.265 nan 8.300 nan 0.000 0.577 449 G N 0.563 109.261 108.800 -0.171 0.000 2.225 449 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.264 449 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.264 449 G C 1.004 175.582 174.900 -0.536 0.000 1.060 449 G CA 0.229 45.150 45.100 -0.300 0.000 0.833 449 G HN 0.259 nan 8.290 nan 0.000 0.498 450 L N -0.651 120.221 121.223 -0.584 0.000 2.201 450 L HA -0.007 4.332 4.340 -0.001 0.000 0.212 450 L C -0.004 176.452 176.870 -0.690 0.000 1.105 450 L CA 2.092 56.546 54.840 -0.644 0.000 0.775 450 L CB -1.642 40.164 42.059 -0.422 0.000 0.913 450 L HN 0.184 nan 8.230 nan 0.000 0.440 451 P HA -0.059 nan 4.420 nan 0.000 0.239 451 P C 1.786 178.840 177.300 -0.409 0.000 1.184 451 P CA 0.743 63.274 63.100 -0.949 0.000 0.760 451 P CB 0.113 31.113 31.700 -1.167 0.000 0.884 452 L N -1.430 119.552 121.223 -0.401 0.000 2.509 452 L HA 0.063 4.403 4.340 -0.001 0.000 0.222 452 L C 1.004 177.753 176.870 -0.202 0.000 1.123 452 L CA 0.290 54.980 54.840 -0.250 0.000 0.856 452 L CB -0.182 41.749 42.059 -0.214 0.000 0.985 452 L HN -0.081 nan 8.230 nan 0.000 0.456 453 V N -1.581 118.179 119.914 -0.258 0.000 2.334 453 V HA 0.383 4.502 4.120 -0.001 0.000 0.267 453 V C 1.216 177.268 176.094 -0.069 0.000 1.040 453 V CA 0.023 62.231 62.300 -0.154 0.000 0.866 453 V CB 1.014 32.727 31.823 -0.183 0.000 1.019 453 V HN 0.269 nan 8.190 nan 0.000 0.468 454 K N 4.368 124.741 120.400 -0.044 0.000 2.071 454 K HA -0.269 4.051 4.320 -0.001 0.000 0.217 454 K C 1.514 178.100 176.600 -0.023 0.000 1.054 454 K CA 2.743 59.016 56.287 -0.023 0.000 0.937 454 K CB -1.391 31.095 32.500 -0.023 0.000 0.719 454 K HN 0.921 nan 8.250 nan 0.000 0.454 455 E N 0.345 120.525 120.200 -0.033 0.000 2.333 455 E HA -0.046 4.304 4.350 -0.001 0.000 0.200 455 E C 1.612 178.179 176.600 -0.055 0.000 1.010 455 E CA 0.943 57.319 56.400 -0.041 0.000 0.841 455 E CB -0.212 29.463 29.700 -0.040 0.000 0.757 455 E HN 0.623 nan 8.360 nan 0.000 0.508 456 L N 0.500 121.699 121.223 -0.040 0.000 2.611 456 L HA 0.106 4.446 4.340 -0.001 0.000 0.229 456 L C -0.236 176.540 176.870 -0.156 0.000 1.137 456 L CA -0.225 54.575 54.840 -0.066 0.000 0.901 456 L CB -0.342 41.732 42.059 0.024 0.000 1.098 456 L HN 0.103 nan 8.230 nan 0.000 0.456 457 N N -1.035 117.608 118.700 -0.095 0.000 2.735 457 N HA -0.237 4.503 4.740 -0.001 0.000 0.248 457 N C -0.597 174.812 175.510 -0.169 0.000 1.083 457 N CA 0.951 53.925 53.050 -0.127 0.000 0.703 457 N CB -1.859 36.527 38.487 -0.167 0.000 1.005 457 N HN 0.317 nan 8.380 nan 0.000 0.550 458 Y N 0.233 120.499 120.300 -0.057 0.000 2.392 458 Y HA 0.411 4.960 4.550 -0.001 0.000 0.323 458 Y C 1.827 177.727 175.900 0.000 0.000 1.291 458 Y CA -0.196 57.891 58.100 -0.022 0.000 1.345 458 Y CB 0.592 39.013 38.460 -0.064 0.000 1.320 458 Y HN 0.099 nan 8.280 nan 0.000 0.518 459 T N -2.065 112.619 114.554 0.217 0.000 2.847 459 T HA 0.467 4.817 4.350 -0.001 0.000 0.279 459 T C 1.137 175.898 174.700 0.103 0.000 0.984 459 T CA -0.266 61.910 62.100 0.127 0.000 0.988 459 T CB 1.248 70.190 68.868 0.124 0.000 1.040 459 T HN 0.751 nan 8.240 nan 0.000 0.528 460 A N 1.032 123.888 122.820 0.058 0.000 1.933 460 A HA -0.092 4.228 4.320 -0.001 0.000 0.218 460 A C 2.293 179.892 177.584 0.025 0.000 1.175 460 A CA 1.420 53.476 52.037 0.031 0.000 0.628 460 A CB -0.775 18.236 19.000 0.019 0.000 0.814 460 A HN 0.942 nan 8.150 nan 0.000 0.444 461 E N 0.565 120.784 120.200 0.032 0.000 2.208 461 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 461 E C 1.444 178.044 176.600 0.001 0.000 0.988 461 E CA 1.206 57.610 56.400 0.006 0.000 0.828 461 E CB -0.575 29.126 29.700 0.001 0.000 0.763 461 E HN 0.790 nan 8.360 nan 0.000 0.478 462 E N 1.031 121.273 120.200 0.070 0.000 2.152 462 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 462 E C 2.068 178.729 176.600 0.100 0.000 0.983 462 E CA 0.729 57.235 56.400 0.177 0.000 0.818 462 E CB 0.005 29.936 29.700 0.385 0.000 0.758 462 E HN 0.362 nan 8.360 nan 0.000 0.467 463 E N 0.706 120.909 120.200 0.004 0.000 2.072 463 E HA -0.174 4.176 4.350 -0.001 0.000 0.191 463 E C 2.033 178.603 176.600 -0.050 0.000 0.985 463 E CA 0.871 57.227 56.400 -0.074 0.000 0.801 463 E CB -0.004 29.660 29.700 -0.060 0.000 0.750 463 E HN 0.190 nan 8.360 nan 0.000 0.452 464 A N 1.158 123.961 122.820 -0.028 0.000 1.933 464 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 464 A C 2.106 179.663 177.584 -0.044 0.000 1.175 464 A CA 1.143 53.156 52.037 -0.040 0.000 0.628 464 A CB -0.544 18.435 19.000 -0.035 0.000 0.814 464 A HN 0.364 nan 8.150 nan 0.000 0.444 465 L N -0.275 120.937 121.223 -0.019 0.000 2.027 465 L HA -0.077 4.262 4.340 -0.001 0.000 0.206 465 L C 2.547 179.439 176.870 0.037 0.000 1.074 465 L CA 2.591 57.418 54.840 -0.021 0.000 0.745 465 L CB -0.959 41.049 42.059 -0.086 0.000 0.898 465 L HN 0.327 nan 8.230 nan 0.000 0.433 466 S N -0.630 115.149 115.700 0.131 0.000 2.359 466 S HA -0.233 4.236 4.470 -0.001 0.000 0.224 466 S C 2.201 176.755 174.600 -0.077 0.000 1.035 466 S CA 1.551 59.781 58.200 0.050 0.000 1.018 466 S CB -0.235 62.885 63.200 -0.132 0.000 0.876 466 S HN 0.542 nan 8.310 nan 0.000 0.448 467 R N 0.226 120.676 120.500 -0.085 0.000 2.096 467 R HA 0.073 4.413 4.340 -0.001 0.000 0.235 467 R C 2.783 179.018 176.300 -0.109 0.000 1.127 467 R CA 1.073 57.118 56.100 -0.093 0.000 0.968 467 R CB -0.222 30.024 30.300 -0.090 0.000 0.861 467 R HN 0.298 nan 8.270 nan 0.000 0.440 468 R N 0.604 121.013 120.500 -0.151 0.000 2.073 468 R HA -0.099 4.241 4.340 -0.001 0.000 0.234 468 R C 2.263 178.335 176.300 -0.381 0.000 1.134 468 R CA 1.387 57.301 56.100 -0.310 0.000 0.952 468 R CB -0.395 29.735 30.300 -0.283 0.000 0.850 468 R HN 0.261 nan 8.270 nan 0.000 0.433 469 I N 0.511 120.978 120.570 -0.172 0.000 2.202 469 I HA -0.289 3.880 4.170 -0.001 0.000 0.242 469 I C 2.580 178.606 176.117 -0.152 0.000 1.091 469 I CA 1.233 62.457 61.300 -0.127 0.000 1.368 469 I CB -0.202 37.586 38.000 -0.353 0.000 1.058 469 I HN 0.151 nan 8.210 nan 0.000 0.410 470 M N -0.550 118.939 119.600 -0.185 0.000 2.149 470 M HA -0.281 4.198 4.480 -0.001 0.000 0.261 470 M C 2.393 178.724 176.300 0.051 0.000 1.064 470 M CA 1.813 57.042 55.300 -0.119 0.000 1.102 470 M CB -0.719 31.816 32.600 -0.108 0.000 1.369 470 M HN 0.297 nan 8.290 nan 0.000 0.408 471 H N -0.595 118.446 119.070 -0.047 0.000 2.436 471 H HA -0.097 4.459 4.556 -0.000 0.000 0.294 471 H C 1.466 176.892 175.328 0.163 0.000 1.048 471 H CA 1.629 57.678 56.048 0.001 0.000 1.353 471 H CB 0.088 29.801 29.762 -0.081 0.000 1.414 471 H HN 0.271 nan 8.280 nan 0.000 0.536 472 Y N -0.941 119.464 120.300 0.175 0.000 2.133 472 Y HA -0.208 4.341 4.550 -0.001 0.000 0.287 472 Y C 2.518 178.606 175.900 0.314 0.000 1.134 472 Y CA 1.013 59.272 58.100 0.265 0.000 1.133 472 Y CB -1.097 37.720 38.460 0.595 0.000 0.987 472 Y HN 0.325 nan 8.280 nan 0.000 0.502 473 W N -0.330 121.071 121.300 0.169 0.000 2.318 473 W HA -0.270 4.390 4.660 -0.000 0.000 0.313 473 W C 2.517 179.032 176.519 -0.007 0.000 1.221 473 W CA 1.168 58.541 57.345 0.047 0.000 1.266 473 W CB -0.374 29.058 29.460 -0.048 0.000 1.150 473 W HN 0.071 nan 8.180 nan 0.000 0.496 474 A N -0.431 122.491 122.820 0.170 0.000 1.930 474 A HA -0.108 4.212 4.320 -0.001 0.000 0.215 474 A C 1.793 179.354 177.584 -0.039 0.000 1.176 474 A CA 1.887 53.937 52.037 0.023 0.000 0.632 474 A CB -1.058 17.941 19.000 -0.002 0.000 0.819 474 A HN 0.170 nan 8.150 nan 0.000 0.445 475 T N -0.635 113.852 114.554 -0.111 0.000 2.777 475 T HA -0.110 4.239 4.350 -0.001 0.000 0.266 475 T C 1.600 176.256 174.700 -0.073 0.000 1.040 475 T CA 1.540 63.545 62.100 -0.157 0.000 1.141 475 T CB -0.387 68.331 68.868 -0.251 0.000 0.868 475 T HN 0.531 nan 8.240 nan 0.000 0.444 476 F N 2.230 122.087 119.950 -0.156 0.000 2.186 476 F HA 0.055 4.582 4.527 -0.001 0.000 0.299 476 F C 2.377 178.094 175.800 -0.138 0.000 1.090 476 F CA 0.929 58.806 58.000 -0.205 0.000 1.307 476 F CB -0.492 38.321 39.000 -0.313 0.000 1.019 476 F HN 0.130 nan 8.300 nan 0.000 0.489 477 A N 0.417 123.159 122.820 -0.131 0.000 1.933 477 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 477 A C 2.289 179.732 177.584 -0.234 0.000 1.175 477 A CA 1.865 53.774 52.037 -0.213 0.000 0.628 477 A CB -0.812 18.143 19.000 -0.074 0.000 0.814 477 A HN 0.521 nan 8.150 nan 0.000 0.444 478 K N -0.739 119.561 120.400 -0.167 0.000 2.103 478 K HA -0.098 4.222 4.320 -0.001 0.000 0.204 478 K C 1.744 178.252 176.600 -0.153 0.000 1.052 478 K CA 1.863 58.073 56.287 -0.128 0.000 0.945 478 K CB -0.076 32.377 32.500 -0.078 0.000 0.722 478 K HN 0.584 nan 8.250 nan 0.000 0.443 479 T N -5.141 109.291 114.554 -0.203 0.000 2.958 479 T HA 0.271 4.621 4.350 -0.001 0.000 0.256 479 T C 1.154 175.716 174.700 -0.231 0.000 0.983 479 T CA 0.443 62.438 62.100 -0.174 0.000 0.924 479 T CB 0.919 69.724 68.868 -0.105 0.000 1.136 479 T HN 0.307 nan 8.240 nan 0.000 0.506 480 G N 1.476 110.002 108.800 -0.458 0.000 2.157 480 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.239 480 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.239 480 G C -0.205 174.633 174.900 -0.102 0.000 0.982 480 G CA 0.011 44.837 45.100 -0.457 0.000 0.650 480 G HN 0.890 nan 8.290 nan 0.000 0.527 481 N N -0.314 118.312 118.700 -0.123 0.000 2.425 481 N HA 0.451 5.191 4.740 -0.001 0.000 0.289 481 N C -1.690 173.674 175.510 -0.242 0.000 1.074 481 N CA -1.490 51.446 53.050 -0.190 0.000 0.905 481 N CB 2.405 40.871 38.487 -0.035 0.000 1.586 481 N HN -0.070 nan 8.380 nan 0.000 0.490 482 P HA -0.031 nan 4.420 nan 0.000 0.230 482 P C -0.577 176.755 177.300 0.053 0.000 1.158 482 P CA 0.546 63.517 63.100 -0.215 0.000 0.769 482 P CB 0.296 31.655 31.700 -0.569 0.000 0.807 483 N N 1.449 120.147 118.700 -0.002 0.000 2.518 483 N HA 0.111 4.851 4.740 -0.001 0.000 0.283 483 N C 0.019 175.595 175.510 0.110 0.000 1.119 483 N CA -0.169 52.968 53.050 0.145 0.000 0.983 483 N CB 0.912 39.485 38.487 0.143 0.000 1.139 483 N HN -0.008 nan 8.380 nan 0.000 0.465 484 E N 3.142 123.437 120.200 0.159 0.000 2.299 484 E HA 0.145 4.495 4.350 -0.001 0.000 0.272 484 E C -1.694 174.969 176.600 0.106 0.000 1.043 484 E CA -1.182 55.300 56.400 0.137 0.000 0.895 484 E CB 0.218 30.033 29.700 0.191 0.000 1.011 484 E HN 0.344 nan 8.360 nan 0.000 0.432 491 K N 2.718 123.225 120.400 0.178 0.000 2.276 491 K HA 0.235 4.554 4.320 -0.001 0.000 0.283 491 K C -0.311 176.461 176.600 0.286 0.000 1.044 491 K CA -0.445 55.979 56.287 0.229 0.000 0.944 491 K CB 0.422 33.034 32.500 0.187 0.000 1.012 491 K HN 0.643 nan 8.250 nan 0.000 0.472 492 W N 7.288 128.652 121.300 0.107 0.000 2.416 492 W HA 0.174 4.834 4.660 -0.000 0.000 0.318 492 W C -2.253 174.389 176.519 0.205 0.000 1.150 492 W CA -2.687 54.718 57.345 0.101 0.000 1.392 492 W CB -0.109 29.324 29.460 -0.046 0.000 1.311 492 W HN 0.405 nan 8.180 nan 0.000 0.436 493 P HA -0.020 nan 4.420 nan 0.000 0.272 493 P C -0.413 177.079 177.300 0.320 0.000 1.223 493 P CA -0.399 62.905 63.100 0.340 0.000 0.784 493 P CB 1.450 33.277 31.700 0.213 0.000 0.923 494 L N 3.333 124.620 121.223 0.107 0.000 2.456 494 L HA 0.221 4.560 4.340 -0.001 0.000 0.272 494 L C -0.131 176.722 176.870 -0.028 0.000 1.189 494 L CA -0.308 54.413 54.840 -0.199 0.000 0.846 494 L CB -0.728 41.224 42.059 -0.178 0.000 1.111 494 L HN 0.241 nan 8.230 nan 0.000 0.475 495 F N 4.408 124.259 119.950 -0.165 0.000 2.424 495 F HA 0.477 5.003 4.527 -0.001 0.000 0.356 495 F C 0.291 176.065 175.800 -0.043 0.000 1.110 495 F CA -0.214 57.778 58.000 -0.013 0.000 1.161 495 F CB 0.478 39.498 39.000 0.033 0.000 1.115 495 F HN 0.662 nan 8.300 nan 0.000 0.507 496 T N 1.239 115.507 114.554 -0.477 0.000 2.932 496 T HA 0.267 4.617 4.350 -0.001 0.000 0.289 496 T C 0.952 175.393 174.700 -0.431 0.000 1.039 496 T CA -0.435 61.492 62.100 -0.290 0.000 1.024 496 T CB 1.517 70.281 68.868 -0.173 0.000 1.090 496 T HN 0.523 nan 8.240 nan 0.000 0.496 497 T N 0.874 115.325 114.554 -0.172 0.000 2.759 497 T HA -0.045 4.304 4.350 -0.001 0.000 0.269 497 T C 2.433 177.043 174.700 -0.150 0.000 1.042 497 T CA 2.212 64.243 62.100 -0.115 0.000 1.140 497 T CB -0.651 68.183 68.868 -0.056 0.000 0.864 497 T HN 0.852 nan 8.240 nan 0.000 0.455 498 K N 1.318 121.628 120.400 -0.149 0.000 1.995 498 K HA 0.084 4.404 4.320 -0.001 0.000 0.207 498 K C 2.117 178.636 176.600 -0.134 0.000 1.041 498 K CA 1.281 57.499 56.287 -0.114 0.000 0.942 498 K CB -0.856 31.594 32.500 -0.083 0.000 0.731 498 K HN 0.222 nan 8.250 nan 0.000 0.439 499 E N 0.234 120.335 120.200 -0.166 0.000 2.152 499 E HA -0.020 4.329 4.350 -0.001 0.000 0.192 499 E C 0.117 176.599 176.600 -0.197 0.000 0.983 499 E CA 0.615 56.929 56.400 -0.144 0.000 0.818 499 E CB 0.092 29.723 29.700 -0.115 0.000 0.758 499 E HN 0.563 nan 8.360 nan 0.000 0.467 500 Q N 0.119 119.645 119.800 -0.457 0.000 2.457 500 Q HA -0.236 4.103 4.340 -0.001 0.000 0.283 500 Q C -0.745 175.176 176.000 -0.131 0.000 1.234 500 Q CA 0.613 55.991 55.803 -0.709 0.000 0.877 500 Q CB -1.556 27.024 28.738 -0.263 0.000 1.250 500 Q HN 0.223 nan 8.270 nan 0.000 0.481 501 K N 0.577 120.937 120.400 -0.066 0.000 2.295 501 K HA 0.480 4.800 4.320 -0.001 0.000 0.270 501 K C 0.117 177.017 176.600 0.500 0.000 1.011 501 K CA 0.334 56.725 56.287 0.173 0.000 0.953 501 K CB 0.399 32.946 32.500 0.078 0.000 0.956 501 K HN 0.213 nan 8.250 nan 0.000 0.477 502 F N -0.260 119.859 119.950 0.281 0.000 2.715 502 F HA 0.637 5.164 4.527 -0.001 0.000 0.318 502 F C -0.991 174.930 175.800 0.202 0.000 1.141 502 F CA -1.526 56.678 58.000 0.340 0.000 0.950 502 F CB 0.808 40.016 39.000 0.346 0.000 1.374 502 F HN 0.428 nan 8.300 nan 0.000 0.477 503 I N -0.865 119.881 120.570 0.293 0.000 2.846 503 I HA 0.633 4.802 4.170 -0.001 0.000 0.307 503 I C -1.267 175.021 176.117 0.285 0.000 1.053 503 I CA -0.870 60.429 61.300 -0.000 0.000 1.050 503 I CB 2.106 39.879 38.000 -0.379 0.000 1.239 503 I HN 0.446 nan 8.210 nan 0.000 0.439 504 D N 3.210 123.747 120.400 0.228 0.000 2.283 504 D HA 0.466 5.106 4.640 -0.001 0.000 0.248 504 D C -0.947 175.451 176.300 0.163 0.000 1.072 504 D CA 0.042 54.260 54.000 0.364 0.000 0.929 504 D CB 2.316 43.321 40.800 0.341 0.000 1.182 504 D HN 0.269 nan 8.370 nan 0.000 0.433 505 L N 3.127 124.451 121.223 0.168 0.000 2.366 505 L HA 0.270 4.609 4.340 -0.001 0.000 0.266 505 L C -0.629 176.188 176.870 -0.090 0.000 1.010 505 L CA -0.365 54.521 54.840 0.077 0.000 0.879 505 L CB 0.083 42.261 42.059 0.199 0.000 1.228 505 L HN 0.465 nan 8.230 nan 0.000 0.439 506 N N -0.454 118.185 118.700 -0.102 0.000 3.439 506 N HA 0.338 5.078 4.740 -0.001 0.000 0.313 506 N C 0.467 175.870 175.510 -0.179 0.000 1.598 506 N CA -0.050 52.877 53.050 -0.204 0.000 0.830 506 N CB 0.329 38.755 38.487 -0.101 0.000 1.849 506 N HN 0.052 nan 8.380 nan 0.000 0.598 507 T N -3.543 110.891 114.554 -0.199 0.000 3.088 507 T HA 0.181 4.531 4.350 -0.001 0.000 0.259 507 T C 0.072 174.744 174.700 -0.047 0.000 1.122 507 T CA 0.386 62.395 62.100 -0.151 0.000 1.095 507 T CB -0.438 68.322 68.868 -0.179 0.000 0.930 507 T HN 0.504 nan 8.240 nan 0.000 0.508 508 E N 2.071 122.263 120.200 -0.013 0.000 2.342 508 E HA 0.352 4.702 4.350 -0.001 0.000 0.257 508 E C -2.544 174.063 176.600 0.011 0.000 1.150 508 E CA -2.325 54.083 56.400 0.012 0.000 0.926 508 E CB 0.090 29.810 29.700 0.033 0.000 1.074 508 E HN 0.189 nan 8.360 nan 0.000 0.449 509 P HA -0.062 nan 4.420 nan 0.000 0.268 509 P C -0.468 176.840 177.300 0.014 0.000 1.205 509 P CA 0.224 63.334 63.100 0.017 0.000 0.771 509 P CB 0.404 32.113 31.700 0.015 0.000 0.858 510 M N 2.666 122.278 119.600 0.019 0.000 2.261 510 M HA -0.017 4.463 4.480 -0.001 0.000 0.350 510 M C -0.465 175.807 176.300 -0.046 0.000 1.343 510 M CA 1.054 56.355 55.300 0.002 0.000 1.003 510 M CB 0.054 32.673 32.600 0.032 0.000 1.848 510 M HN 0.040 nan 8.290 nan 0.000 0.456 511 K N 3.848 124.185 120.400 -0.104 0.000 2.316 511 K HA 0.644 4.964 4.320 -0.001 0.000 0.251 511 K C -1.150 175.177 176.600 -0.455 0.000 0.934 511 K CA -0.842 55.291 56.287 -0.256 0.000 0.802 511 K CB 2.269 34.606 32.500 -0.272 0.000 1.171 511 K HN 0.633 nan 8.250 nan 0.000 0.426 512 V N 3.624 123.252 119.914 -0.477 0.000 2.472 512 V HA 0.502 4.622 4.120 -0.001 0.000 0.290 512 V C -0.068 175.591 176.094 -0.726 0.000 1.037 512 V CA -0.556 61.466 62.300 -0.464 0.000 0.908 512 V CB 1.141 32.847 31.823 -0.195 0.000 0.985 512 V HN 0.836 nan 8.190 nan 0.000 0.454 513 H N 2.891 121.613 119.070 -0.580 0.000 2.949 513 H HA 0.662 5.218 4.556 -0.001 0.000 0.310 513 H C -1.122 173.923 175.328 -0.472 0.000 1.405 513 H CA -0.838 54.851 56.048 -0.598 0.000 1.253 513 H CB 2.195 31.420 29.762 -0.894 0.000 1.932 513 H HN 0.567 nan 8.280 nan 0.000 0.602 514 Q N 0.030 119.845 119.800 0.024 0.000 2.456 514 Q HA 0.387 4.726 4.340 -0.001 0.000 0.283 514 Q C -0.698 175.534 176.000 0.386 0.000 1.084 514 Q CA -1.010 54.921 55.803 0.213 0.000 0.801 514 Q CB 2.871 31.663 28.738 0.091 0.000 1.434 514 Q HN 0.438 nan 8.270 nan 0.000 0.419 515 R N 0.906 121.621 120.500 0.359 0.000 3.059 515 R HA -0.208 4.131 4.340 -0.001 0.000 0.251 515 R C -0.594 175.850 176.300 0.240 0.000 0.886 515 R CA -0.138 56.123 56.100 0.268 0.000 0.634 515 R CB -1.454 28.943 30.300 0.163 0.000 1.282 515 R HN 0.426 nan 8.270 nan 0.000 0.487 516 L N 2.325 123.634 121.223 0.144 0.000 2.700 516 L HA -0.047 4.293 4.340 -0.001 0.000 0.272 516 L C 0.882 177.713 176.870 -0.066 0.000 1.176 516 L CA 0.835 55.542 54.840 -0.221 0.000 0.961 516 L CB -0.258 41.354 42.059 -0.747 0.000 1.249 516 L HN 0.469 nan 8.230 nan 0.000 0.487 517 R N 2.064 122.544 120.500 -0.034 0.000 3.502 517 R HA -0.210 4.130 4.340 -0.001 0.000 0.266 517 R C 1.260 177.620 176.300 0.101 0.000 1.077 517 R CA 0.595 56.720 56.100 0.042 0.000 0.718 517 R CB -2.007 28.333 30.300 0.066 0.000 1.120 517 R HN 0.745 nan 8.270 nan 0.000 0.457 518 V N -2.369 117.604 119.914 0.098 0.000 2.282 518 V HA -0.368 3.752 4.120 -0.001 0.000 0.249 518 V C 2.323 178.491 176.094 0.123 0.000 1.057 518 V CA 2.247 64.618 62.300 0.118 0.000 1.032 518 V CB -0.547 31.339 31.823 0.105 0.000 0.645 518 V HN 0.329 nan 8.190 nan 0.000 0.447 519 Q N -0.207 119.647 119.800 0.090 0.000 2.062 519 Q HA -0.214 4.126 4.340 -0.001 0.000 0.209 519 Q C 2.156 178.219 176.000 0.105 0.000 0.996 519 Q CA 2.385 58.228 55.803 0.067 0.000 0.859 519 Q CB -0.410 28.339 28.738 0.018 0.000 0.920 519 Q HN 0.556 nan 8.270 nan 0.000 0.415 520 M N -1.271 118.417 119.600 0.146 0.000 2.200 520 M HA -0.107 4.373 4.480 -0.001 0.000 0.265 520 M C 2.380 178.970 176.300 0.483 0.000 1.066 520 M CA 0.860 56.328 55.300 0.279 0.000 1.127 520 M CB -1.147 31.674 32.600 0.368 0.000 1.379 520 M HN 0.332 nan 8.290 nan 0.000 0.420 521 c N -0.364 118.460 118.600 0.374 0.000 2.450 521 c HA -0.037 4.533 4.570 -0.001 0.000 0.279 521 c C 2.940 177.219 174.090 0.315 0.000 1.335 521 c CA 0.267 56.825 56.329 0.382 0.000 1.749 521 c CB -0.848 41.817 42.510 0.259 0.000 1.963 521 c HN 0.315 nan 8.230 nan 0.000 0.501 522 V N 0.614 120.674 119.914 0.243 0.000 2.407 522 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 522 V C 2.049 178.273 176.094 0.217 0.000 1.055 522 V CA 2.297 64.715 62.300 0.196 0.000 1.049 522 V CB -0.778 31.132 31.823 0.145 0.000 0.662 522 V HN 0.588 nan 8.190 nan 0.000 0.455 523 F N -0.187 119.811 119.950 0.080 0.000 2.102 523 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 523 F C 1.958 177.756 175.800 -0.004 0.000 1.105 523 F CA 1.782 59.785 58.000 0.005 0.000 1.239 523 F CB -0.363 38.529 39.000 -0.181 0.000 0.991 523 F HN 0.176 nan 8.300 nan 0.000 0.474 524 W N 0.458 121.897 121.300 0.232 0.000 2.467 524 W HA -0.062 4.598 4.660 -0.001 0.000 0.275 524 W C 2.021 178.534 176.519 -0.010 0.000 1.239 524 W CA 0.703 58.102 57.345 0.089 0.000 1.266 524 W CB -0.409 29.205 29.460 0.256 0.000 1.112 524 W HN -0.026 nan 8.180 nan 0.000 0.576 525 N N -0.748 118.085 118.700 0.221 0.000 2.415 525 N HA -0.012 4.728 4.740 -0.001 0.000 0.174 525 N C 1.395 176.906 175.510 0.003 0.000 1.048 525 N CA 0.943 54.033 53.050 0.066 0.000 0.895 525 N CB -0.089 38.452 38.487 0.090 0.000 1.036 525 N HN 0.343 nan 8.380 nan 0.000 0.449 526 Q N -1.239 118.583 119.800 0.037 0.000 2.580 526 Q HA 0.214 4.554 4.340 -0.001 0.000 0.239 526 Q C 1.205 177.197 176.000 -0.013 0.000 0.873 526 Q CA -0.065 55.752 55.803 0.025 0.000 0.951 526 Q CB 0.180 28.967 28.738 0.082 0.000 1.172 526 Q HN 0.124 nan 8.270 nan 0.000 0.616 527 F N 1.616 121.465 119.950 -0.168 0.000 2.098 527 F HA -0.122 4.405 4.527 -0.001 0.000 0.294 527 F C 1.912 177.499 175.800 -0.356 0.000 1.107 527 F CA 0.879 58.740 58.000 -0.232 0.000 1.234 527 F CB -0.171 38.705 39.000 -0.205 0.000 1.002 527 F HN 0.033 nan 8.300 nan 0.000 0.472 528 L N 1.194 121.992 121.223 -0.708 0.000 2.012 528 L HA -0.066 4.273 4.340 -0.001 0.000 0.210 528 L C -0.880 175.719 176.870 -0.451 0.000 1.073 528 L CA 2.125 56.512 54.840 -0.756 0.000 0.748 528 L CB -1.873 39.663 42.059 -0.872 0.000 0.891 528 L HN -0.001 nan 8.230 nan 0.000 0.431 529 P HA -0.211 nan 4.420 nan 0.000 0.215 529 P C 1.498 178.671 177.300 -0.211 0.000 1.153 529 P CA 1.612 64.606 63.100 -0.176 0.000 0.853 529 P CB -0.040 31.586 31.700 -0.123 0.000 0.788 530 K N -0.235 120.006 120.400 -0.265 0.000 2.026 530 K HA -0.145 4.175 4.320 -0.001 0.000 0.208 530 K C 2.058 178.471 176.600 -0.312 0.000 1.048 530 K CA 1.106 57.244 56.287 -0.248 0.000 0.929 530 K CB -0.819 31.544 32.500 -0.228 0.000 0.713 530 K HN 0.034 nan 8.250 nan 0.000 0.439 531 L N 1.031 121.945 121.223 -0.514 0.000 2.042 531 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 531 L C 1.959 178.671 176.870 -0.263 0.000 1.076 531 L CA 1.336 55.899 54.840 -0.460 0.000 0.749 531 L CB -0.136 41.518 42.059 -0.675 0.000 0.893 531 L HN 0.237 nan 8.230 nan 0.000 0.432 532 L N -0.197 120.886 121.223 -0.233 0.000 2.291 532 L HA -0.157 4.183 4.340 -0.001 0.000 0.214 532 L C 2.083 178.889 176.870 -0.107 0.000 1.120 532 L CA 1.064 55.818 54.840 -0.142 0.000 0.799 532 L CB -0.592 41.407 42.059 -0.100 0.000 0.925 532 L HN 0.398 nan 8.230 nan 0.000 0.446 533 N N 0.033 118.662 118.700 -0.119 0.000 2.300 533 N HA -0.069 4.671 4.740 -0.001 0.000 0.179 533 N C 1.802 177.266 175.510 -0.078 0.000 1.016 533 N CA 1.084 54.082 53.050 -0.088 0.000 0.876 533 N CB 0.122 38.557 38.487 -0.088 0.000 0.979 533 N HN 0.238 nan 8.380 nan 0.000 0.432 534 A N -0.329 122.434 122.820 -0.094 0.000 1.874 534 A HA 0.036 4.355 4.320 -0.001 0.000 0.214 534 A C 1.456 179.004 177.584 -0.061 0.000 1.189 534 A CA 1.365 53.358 52.037 -0.074 0.000 0.615 534 A CB -1.235 17.716 19.000 -0.082 0.000 0.830 534 A HN 0.495 nan 8.150 nan 0.000 0.443 535 T N 0.000 114.511 114.554 -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 62.066 62.100 -0.056 0.000 1.349 535 T CB 0.000 68.830 68.868 -0.063 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658