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 1e66_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 EPHSQESKWP 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 0.000 174.647 174.600 0.079 0.000 1.055 4 S CA 0.000 58.230 58.200 0.050 0.000 1.107 4 S CB 0.000 63.229 63.200 0.048 0.000 0.593 5 E N 2.795 123.045 120.200 0.082 0.000 2.204 5 E HA -0.033 4.316 4.350 -0.001 0.000 0.195 5 E C 1.041 177.758 176.600 0.196 0.000 0.990 5 E CA 1.266 57.740 56.400 0.124 0.000 0.821 5 E CB -0.056 29.706 29.700 0.102 0.000 0.750 5 E HN 0.737 nan 8.360 nan 0.000 0.477 6 L N 0.661 121.966 121.223 0.137 0.000 2.592 6 L HA 0.173 4.512 4.340 -0.001 0.000 0.227 6 L C 0.481 177.518 176.870 0.277 0.000 1.127 6 L CA -0.403 54.514 54.840 0.127 0.000 0.884 6 L CB 0.183 42.219 42.059 -0.038 0.000 1.065 6 L HN 0.080 nan 8.230 nan 0.000 0.457 7 L N 0.363 121.731 121.223 0.242 0.000 2.313 7 L HA 0.835 5.174 4.340 -0.001 0.000 0.283 7 L C -0.441 176.515 176.870 0.145 0.000 1.013 7 L CA -0.546 54.425 54.840 0.217 0.000 0.816 7 L CB 1.646 43.778 42.059 0.121 0.000 1.236 7 L HN -0.122 nan 8.230 nan 0.000 0.419 8 V N 2.702 122.670 119.914 0.090 0.000 2.638 8 V HA 0.418 4.537 4.120 -0.001 0.000 0.306 8 V C -0.112 175.882 176.094 -0.167 0.000 1.052 8 V CA -0.871 61.313 62.300 -0.193 0.000 0.885 8 V CB 1.773 33.150 31.823 -0.745 0.000 0.999 8 V HN 0.982 nan 8.190 nan 0.000 0.424 9 N N 2.616 121.167 118.700 -0.247 0.000 2.426 9 N HA 0.472 5.212 4.740 -0.001 0.000 0.257 9 N C -0.056 175.124 175.510 -0.550 0.000 1.002 9 N CA -0.219 52.661 53.050 -0.284 0.000 0.942 9 N CB 1.149 39.467 38.487 -0.282 0.000 1.112 9 N HN 0.897 nan 8.380 nan 0.000 0.499 10 T N 0.364 114.710 114.554 -0.347 0.000 2.937 10 T HA 0.295 4.645 4.350 -0.001 0.000 0.283 10 T C 1.030 175.505 174.700 -0.376 0.000 1.012 10 T CA -0.594 61.288 62.100 -0.364 0.000 0.997 10 T CB 1.412 70.326 68.868 0.077 0.000 1.136 10 T HN 0.361 nan 8.240 nan 0.000 0.551 11 K N 0.237 120.472 120.400 -0.274 0.000 2.442 11 K HA 0.034 4.353 4.320 -0.001 0.000 0.198 11 K C 1.882 178.347 176.600 -0.224 0.000 1.042 11 K CA 0.788 56.947 56.287 -0.214 0.000 0.958 11 K CB -0.048 32.386 32.500 -0.111 0.000 0.766 11 K HN 0.426 nan 8.250 nan 0.000 0.474 12 S N -0.309 115.244 115.700 -0.245 0.000 2.517 12 S HA 0.200 4.670 4.470 -0.001 0.000 0.214 12 S C 0.525 174.418 174.600 -1.177 0.000 0.991 12 S CA 0.224 58.148 58.200 -0.461 0.000 0.906 12 S CB 0.993 64.112 63.200 -0.135 0.000 0.789 12 S HN 0.550 nan 8.310 nan 0.000 0.513 13 G N 1.102 109.411 108.800 -0.817 0.000 2.369 13 G HA2 0.121 4.080 3.960 -0.001 0.000 0.295 13 G HA3 0.121 4.080 3.960 -0.001 0.000 0.295 13 G C -1.900 172.941 174.900 -0.099 0.000 1.298 13 G CA -1.120 43.499 45.100 -0.801 0.000 0.940 13 G HN 0.083 nan 8.290 nan 0.000 0.536 14 K N -0.389 120.148 120.400 0.228 0.000 2.118 14 K HA 0.656 4.976 4.320 -0.001 0.000 0.267 14 K C 0.073 177.042 176.600 0.615 0.000 0.991 14 K CA -0.527 55.957 56.287 0.329 0.000 0.916 14 K CB 2.069 34.703 32.500 0.224 0.000 1.041 14 K HN 1.153 nan 8.250 nan 0.000 0.455 15 V N -0.563 119.643 119.914 0.487 0.000 2.876 15 V HA 0.591 4.710 4.120 -0.001 0.000 0.312 15 V C -0.857 175.534 176.094 0.495 0.000 1.085 15 V CA -1.141 61.502 62.300 0.573 0.000 0.945 15 V CB 1.847 34.066 31.823 0.660 0.000 1.017 15 V HN 0.877 nan 8.190 nan 0.000 0.428 16 M N 3.988 123.836 119.600 0.415 0.000 2.125 16 M HA 0.785 5.264 4.480 -0.001 0.000 0.321 16 M C 0.304 176.691 176.300 0.145 0.000 0.983 16 M CA -0.046 55.415 55.300 0.269 0.000 0.934 16 M CB 1.145 33.826 32.600 0.134 0.000 1.542 16 M HN 1.132 nan 8.290 nan 0.000 0.424 17 G N 1.700 110.421 108.800 -0.132 0.000 2.543 17 G HA2 0.575 4.535 3.960 -0.001 0.000 0.267 17 G HA3 0.575 4.535 3.960 -0.001 0.000 0.267 17 G C -1.021 173.649 174.900 -0.382 0.000 1.406 17 G CA -0.345 44.364 45.100 -0.651 0.000 1.048 17 G HN 0.612 nan 8.290 nan 0.000 0.548 18 T N -1.628 112.678 114.554 -0.413 0.000 2.916 18 T HA 0.507 4.857 4.350 -0.001 0.000 0.305 18 T C -0.715 173.867 174.700 -0.196 0.000 1.119 18 T CA -0.701 61.258 62.100 -0.235 0.000 1.008 18 T CB 1.494 70.251 68.868 -0.184 0.000 1.129 18 T HN 0.633 nan 8.240 nan 0.000 0.480 19 R N 2.922 123.352 120.500 -0.115 0.000 2.265 19 R HA 0.650 4.990 4.340 -0.001 0.000 0.314 19 R C -0.497 175.806 176.300 0.004 0.000 1.053 19 R CA -0.494 55.576 56.100 -0.049 0.000 0.931 19 R CB 0.427 30.691 30.300 -0.061 0.000 1.024 19 R HN 0.516 nan 8.270 nan 0.000 0.457 20 V N 2.527 122.477 119.914 0.059 0.000 2.680 20 V HA 0.711 4.831 4.120 -0.001 0.000 0.309 20 V C -2.561 173.581 176.094 0.080 0.000 1.052 20 V CA -2.650 59.687 62.300 0.063 0.000 0.908 20 V CB 1.721 33.563 31.823 0.033 0.000 1.001 20 V HN 0.802 nan 8.190 nan 0.000 0.431 21 P HA 0.468 nan 4.420 nan 0.000 0.278 21 P C -0.928 176.222 177.300 -0.250 0.000 1.238 21 P CA -0.215 62.745 63.100 -0.234 0.000 0.794 21 P CB 2.029 33.627 31.700 -0.170 0.000 0.955 22 V N 5.000 124.685 119.914 -0.382 0.000 2.775 22 V HA 0.147 4.267 4.120 -0.001 0.000 0.295 22 V C -0.078 175.756 176.094 -0.433 0.000 1.226 22 V CA -0.844 61.243 62.300 -0.354 0.000 0.934 22 V CB 0.941 32.512 31.823 -0.420 0.000 1.056 22 V HN 0.508 nan 8.190 nan 0.000 0.436 23 L N 5.714 126.827 121.223 -0.183 0.000 3.954 23 L HA -0.221 4.119 4.340 -0.001 0.000 0.462 23 L C 1.012 177.767 176.870 -0.190 0.000 1.195 23 L CA 1.024 55.784 54.840 -0.132 0.000 0.739 23 L CB -1.799 40.242 42.059 -0.029 0.000 1.599 23 L HN 1.132 nan 8.230 nan 0.000 0.838 24 S N -2.246 113.336 115.700 -0.198 0.000 3.490 24 S HA -0.194 4.275 4.470 -0.001 0.000 0.301 24 S C 0.367 174.826 174.600 -0.234 0.000 1.233 24 S CA 1.366 59.462 58.200 -0.172 0.000 0.914 24 S CB -0.659 62.496 63.200 -0.074 0.000 1.047 24 S HN 0.885 nan 8.310 nan 0.000 0.602 25 S N -0.647 114.789 115.700 -0.439 0.000 3.121 25 S HA 0.797 5.267 4.470 -0.001 0.000 0.324 25 S C -1.717 172.421 174.600 -0.770 0.000 1.192 25 S CA -0.641 57.306 58.200 -0.422 0.000 0.937 25 S CB 1.172 64.196 63.200 -0.293 0.000 1.336 25 S HN 0.440 nan 8.310 nan 0.000 0.664 26 H N 0.181 119.177 119.070 -0.124 0.000 3.046 26 H HA 0.657 5.213 4.556 -0.001 0.000 0.361 26 H C -0.778 174.563 175.328 0.022 0.000 1.235 26 H CA -0.228 55.781 56.048 -0.065 0.000 1.146 26 H CB 1.445 31.195 29.762 -0.021 0.000 1.859 26 H HN 0.816 nan 8.280 nan 0.000 0.548 27 I N -1.922 118.750 120.570 0.170 0.000 3.352 27 I HA 0.598 4.767 4.170 -0.001 0.000 0.316 27 I C -0.854 175.358 176.117 0.158 0.000 1.214 27 I CA -0.973 60.446 61.300 0.198 0.000 0.934 27 I CB 2.326 40.474 38.000 0.247 0.000 1.310 27 I HN 0.303 nan 8.210 nan 0.000 0.475 28 S N 1.129 116.933 115.700 0.172 0.000 2.525 28 S HA 0.862 5.331 4.470 -0.001 0.000 0.290 28 S C -0.365 174.246 174.600 0.017 0.000 1.152 28 S CA -0.578 57.653 58.200 0.052 0.000 1.072 28 S CB 1.613 64.876 63.200 0.106 0.000 1.027 28 S HN 0.889 nan 8.310 nan 0.000 0.500 29 A N 1.970 124.637 122.820 -0.256 0.000 2.374 29 A HA 0.791 5.111 4.320 -0.001 0.000 0.305 29 A C -1.380 175.902 177.584 -0.504 0.000 1.053 29 A CA -0.639 51.175 52.037 -0.371 0.000 0.726 29 A CB 0.475 19.213 19.000 -0.436 0.000 1.229 29 A HN 0.660 nan 8.150 nan 0.000 0.431 30 F N 2.922 122.743 119.950 -0.215 0.000 2.359 30 F HA 0.437 4.964 4.527 -0.000 0.000 0.369 30 F C -0.129 175.566 175.800 -0.176 0.000 1.084 30 F CA -0.347 57.611 58.000 -0.069 0.000 1.096 30 F CB 1.161 40.228 39.000 0.112 0.000 1.335 30 F HN 0.364 nan 8.300 nan 0.000 0.457 31 L N 2.119 123.305 121.223 -0.061 0.000 2.325 31 L HA 0.663 5.003 4.340 -0.001 0.000 0.279 31 L C 1.046 177.956 176.870 0.067 0.000 1.054 31 L CA -0.919 53.878 54.840 -0.070 0.000 0.804 31 L CB 1.328 43.265 42.059 -0.203 0.000 1.200 31 L HN 0.821 nan 8.230 nan 0.000 0.436 32 G N 3.129 111.991 108.800 0.103 0.000 2.272 32 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.280 32 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.280 32 G C -0.130 174.864 174.900 0.157 0.000 1.067 32 G CA -0.302 44.861 45.100 0.107 0.000 0.902 32 G HN 0.487 nan 8.290 nan 0.000 0.500 33 I N 2.120 122.704 120.570 0.022 0.000 2.416 33 I HA 0.230 4.400 4.170 -0.001 0.000 0.288 33 I C -1.330 174.574 176.117 -0.355 0.000 1.051 33 I CA -2.135 58.993 61.300 -0.286 0.000 1.375 33 I CB 1.164 38.983 38.000 -0.301 0.000 1.407 33 I HN 0.012 nan 8.210 nan 0.000 0.516 34 P HA 0.053 nan 4.420 nan 0.000 0.276 34 P C -0.361 176.561 177.300 -0.631 0.000 1.230 34 P CA 0.003 62.588 63.100 -0.859 0.000 0.776 34 P CB 0.649 31.775 31.700 -0.958 0.000 0.888 35 F N 0.799 120.411 119.950 -0.564 0.000 2.746 35 F HA 0.742 5.269 4.527 -0.001 0.000 0.320 35 F C -0.115 175.580 175.800 -0.175 0.000 1.097 35 F CA -1.007 56.738 58.000 -0.424 0.000 1.195 35 F CB 0.066 38.789 39.000 -0.462 0.000 1.056 35 F HN 0.364 nan 8.300 nan 0.000 0.562 36 A N -0.032 122.466 122.820 -0.536 0.000 2.606 36 A HA 0.604 4.924 4.320 -0.001 0.000 0.293 36 A C -0.852 176.557 177.584 -0.293 0.000 1.082 36 A CA -0.748 51.115 52.037 -0.290 0.000 0.685 36 A CB 1.081 19.893 19.000 -0.314 0.000 1.284 36 A HN 0.040 nan 8.150 nan 0.000 0.408 37 E N 0.837 120.955 120.200 -0.136 0.000 2.398 37 E HA 0.252 4.602 4.350 -0.001 0.000 0.263 37 E C -2.318 174.192 176.600 -0.151 0.000 1.046 37 E CA -1.322 55.014 56.400 -0.106 0.000 0.908 37 E CB 0.060 29.739 29.700 -0.035 0.000 0.963 37 E HN 0.252 nan 8.360 nan 0.000 0.431 38 P HA 0.023 nan 4.420 nan 0.000 0.263 38 P C -2.210 175.038 177.300 -0.086 0.000 1.195 38 P CA -0.716 62.316 63.100 -0.113 0.000 0.762 38 P CB 0.081 31.753 31.700 -0.047 0.000 0.799 39 P HA 0.017 nan 4.420 nan 0.000 0.220 39 P C -0.348 176.907 177.300 -0.075 0.000 1.806 39 P CA 0.103 63.160 63.100 -0.072 0.000 0.976 39 P CB -0.068 31.593 31.700 -0.065 0.000 1.952 40 V N -2.289 117.587 119.914 -0.064 0.000 3.096 40 V HA 0.901 5.020 4.120 -0.001 0.000 0.319 40 V C 0.921 176.980 176.094 -0.059 0.000 1.103 40 V CA 0.138 62.398 62.300 -0.065 0.000 1.016 40 V CB 0.827 32.621 31.823 -0.049 0.000 1.090 40 V HN 0.557 nan 8.190 nan 0.000 0.449 41 G N 1.372 110.134 108.800 -0.063 0.000 2.591 41 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.298 41 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.298 41 G C 0.933 175.796 174.900 -0.062 0.000 1.195 41 G CA 1.479 46.547 45.100 -0.053 0.000 0.989 41 G HN 2.160 nan 8.290 nan 0.000 0.551 42 N N -0.028 118.654 118.700 -0.030 0.000 2.609 42 N HA 0.248 4.988 4.740 -0.001 0.000 0.190 42 N C 2.254 177.754 175.510 -0.017 0.000 1.157 42 N CA 2.071 55.114 53.050 -0.012 0.000 0.918 42 N CB -0.372 38.124 38.487 0.015 0.000 0.978 42 N HN 0.652 nan 8.380 nan 0.000 0.448 43 M N -0.536 119.042 119.600 -0.038 0.000 2.502 43 M HA 0.084 4.564 4.480 -0.001 0.000 0.243 43 M C 1.109 177.364 176.300 -0.075 0.000 1.130 43 M CA -0.158 55.121 55.300 -0.034 0.000 1.055 43 M CB 0.221 32.803 32.600 -0.030 0.000 1.457 43 M HN 0.284 nan 8.290 nan 0.000 0.488 44 R N 0.806 121.204 120.500 -0.170 0.000 2.538 44 R HA -0.094 4.246 4.340 -0.001 0.000 0.282 44 R C -0.472 175.607 176.300 -0.369 0.000 1.009 44 R CA 0.784 56.645 56.100 -0.398 0.000 1.063 44 R CB 0.119 30.026 30.300 -0.655 0.000 0.945 44 R HN 0.254 nan 8.270 nan 0.000 0.414 45 F N -0.844 119.104 119.950 -0.003 0.000 2.517 45 F HA -0.290 4.237 4.527 -0.001 0.000 0.434 45 F C 0.685 176.467 175.800 -0.031 0.000 0.564 45 F CA 0.959 58.934 58.000 -0.041 0.000 1.414 45 F CB -1.668 37.293 39.000 -0.064 0.000 2.009 45 F HN 0.418 nan 8.300 nan 0.000 0.274 46 R N 0.094 120.665 120.500 0.118 0.000 2.577 46 R HA 0.705 5.044 4.340 -0.001 0.000 0.269 46 R C 0.719 177.049 176.300 0.051 0.000 1.084 46 R CA -0.467 55.679 56.100 0.076 0.000 1.163 46 R CB 1.037 31.367 30.300 0.050 0.000 1.100 46 R HN 0.155 nan 8.270 nan 0.000 0.547 47 R N 2.133 122.662 120.500 0.048 0.000 2.679 47 R HA 0.171 4.511 4.340 -0.001 0.000 0.268 47 R C -1.742 174.584 176.300 0.044 0.000 1.044 47 R CA -0.861 55.267 56.100 0.048 0.000 1.105 47 R CB -0.555 29.777 30.300 0.054 0.000 0.989 47 R HN 0.671 nan 8.270 nan 0.000 0.447 48 P HA 0.225 nan 4.420 nan 0.000 0.276 48 P C -0.858 176.474 177.300 0.053 0.000 1.244 48 P CA -0.314 62.815 63.100 0.049 0.000 0.801 48 P CB 0.742 32.492 31.700 0.084 0.000 1.006 49 E N 1.317 121.537 120.200 0.033 0.000 2.212 49 E HA 0.437 4.787 4.350 -0.001 0.000 0.268 49 E C -2.351 174.280 176.600 0.052 0.000 0.902 49 E CA -2.491 53.934 56.400 0.042 0.000 0.779 49 E CB 0.590 30.306 29.700 0.028 0.000 1.172 49 E HN 0.293 nan 8.360 nan 0.000 0.409 50 P HA -0.018 nan 4.420 nan 0.000 0.266 50 P C -0.319 177.034 177.300 0.088 0.000 1.195 50 P CA -0.124 63.044 63.100 0.114 0.000 0.768 50 P CB 0.443 32.211 31.700 0.113 0.000 0.838 51 K N 2.614 123.077 120.400 0.105 0.000 2.412 51 K HA 0.097 4.417 4.320 -0.001 0.000 0.281 51 K C -0.415 176.268 176.600 0.139 0.000 1.027 51 K CA 0.025 56.365 56.287 0.088 0.000 0.989 51 K CB 0.154 32.703 32.500 0.082 0.000 0.935 51 K HN 0.029 nan 8.250 nan 0.000 0.475 52 K N 5.856 126.335 120.400 0.131 0.000 2.412 52 K HA 0.161 4.481 4.320 -0.001 0.000 0.281 52 K C -2.250 174.455 176.600 0.175 0.000 1.027 52 K CA -1.303 55.060 56.287 0.127 0.000 0.989 52 K CB 0.104 32.676 32.500 0.119 0.000 0.935 52 K HN 0.687 nan 8.250 nan 0.000 0.475 53 P HA 0.087 nan 4.420 nan 0.000 0.268 53 P C -0.781 176.546 177.300 0.044 0.000 1.208 53 P CA -0.119 62.924 63.100 -0.095 0.000 0.777 53 P CB 0.276 31.885 31.700 -0.152 0.000 0.875 54 W N 0.605 121.982 121.300 0.128 0.000 2.781 54 W HA 0.725 5.385 4.660 -0.000 0.000 0.345 54 W C -0.986 175.608 176.519 0.125 0.000 1.085 54 W CA -0.771 56.664 57.345 0.150 0.000 1.198 54 W CB 0.236 29.849 29.460 0.254 0.000 1.423 54 W HN 0.107 nan 8.180 nan 0.000 0.532 55 S N 1.414 117.289 115.700 0.291 0.000 2.672 55 S HA 0.780 5.250 4.470 -0.001 0.000 0.276 55 S C 0.460 175.255 174.600 0.325 0.000 1.207 55 S CA 0.568 58.884 58.200 0.193 0.000 1.002 55 S CB 0.903 64.177 63.200 0.123 0.000 0.998 55 S HN 1.515 nan 8.310 nan 0.000 0.542 56 G N 0.064 109.002 108.800 0.229 0.000 2.681 56 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.220 56 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.220 56 G C -1.023 174.077 174.900 0.334 0.000 1.353 56 G CA -0.507 44.727 45.100 0.223 0.000 0.872 56 G HN 0.957 nan 8.290 nan 0.000 0.557 57 V N 0.764 120.820 119.914 0.238 0.000 2.370 57 V HA 0.476 4.595 4.120 -0.001 0.000 0.283 57 V C 0.363 176.559 176.094 0.171 0.000 1.023 57 V CA -0.545 61.913 62.300 0.264 0.000 0.857 57 V CB 1.699 33.616 31.823 0.157 0.000 0.985 57 V HN 0.711 nan 8.190 nan 0.000 0.443 58 W N 5.369 126.730 121.300 0.101 0.000 2.356 58 W HA 0.217 4.877 4.660 -0.000 0.000 0.311 58 W C 0.263 176.763 176.519 -0.032 0.000 1.328 58 W CA -0.451 56.797 57.345 -0.162 0.000 1.251 58 W CB 0.750 29.933 29.460 -0.460 0.000 1.280 58 W HN 0.698 nan 8.180 nan 0.000 0.524 59 N N 4.649 123.095 118.700 -0.423 0.000 2.406 59 N HA 0.208 4.947 4.740 -0.001 0.000 0.265 59 N C -0.307 175.216 175.510 0.021 0.000 1.203 59 N CA 0.267 53.212 53.050 -0.175 0.000 0.945 59 N CB 0.853 39.181 38.487 -0.264 0.000 1.165 59 N HN 0.346 nan 8.380 nan 0.000 0.485 60 A N 2.738 125.669 122.820 0.186 0.000 3.106 60 A HA 0.208 4.528 4.320 -0.001 0.000 0.306 60 A C 1.014 178.611 177.584 0.021 0.000 1.192 60 A CA -0.318 51.854 52.037 0.225 0.000 0.994 60 A CB -0.548 18.684 19.000 0.387 0.000 1.107 60 A HN 0.661 nan 8.150 nan 0.000 0.585 61 S N -0.918 114.755 115.700 -0.045 0.000 2.511 61 S HA 0.154 4.624 4.470 -0.001 0.000 0.214 61 S C 0.798 175.311 174.600 -0.145 0.000 0.997 61 S CA 0.636 58.764 58.200 -0.119 0.000 0.908 61 S CB -0.260 62.875 63.200 -0.108 0.000 0.803 61 S HN 0.832 nan 8.310 nan 0.000 0.504 62 T N -1.101 113.386 114.554 -0.112 0.000 2.906 62 T HA 0.639 4.989 4.350 -0.001 0.000 0.295 62 T C -0.867 173.804 174.700 -0.048 0.000 1.061 62 T CA -0.778 61.250 62.100 -0.120 0.000 1.000 62 T CB 0.717 69.537 68.868 -0.079 0.000 1.103 62 T HN 0.052 nan 8.240 nan 0.000 0.486 63 Y N 2.754 123.022 120.300 -0.054 0.000 2.578 63 Y HA 0.325 4.875 4.550 -0.001 0.000 0.339 63 Y C -1.454 174.383 175.900 -0.104 0.000 1.231 63 Y CA -1.318 56.751 58.100 -0.052 0.000 1.461 63 Y CB 0.112 38.561 38.460 -0.019 0.000 1.323 63 Y HN 0.543 nan 8.280 nan 0.000 0.590 64 P HA 0.115 nan 4.420 nan 0.000 0.284 64 P C -0.668 176.550 177.300 -0.136 0.000 1.292 64 P CA -0.563 62.412 63.100 -0.208 0.000 0.800 64 P CB 0.953 32.408 31.700 -0.408 0.000 1.188 65 N N 0.173 118.764 118.700 -0.182 0.000 2.371 65 N HA 0.095 4.834 4.740 -0.001 0.000 0.243 65 N C 0.015 175.490 175.510 -0.057 0.000 1.287 65 N CA 0.270 53.261 53.050 -0.097 0.000 0.911 65 N CB -0.204 38.236 38.487 -0.079 0.000 1.142 65 N HN 0.417 nan 8.380 nan 0.000 0.451 66 N N -0.808 117.851 118.700 -0.067 0.000 2.466 66 N HA 0.313 5.052 4.740 -0.001 0.000 0.294 66 N C -0.414 175.055 175.510 -0.068 0.000 1.129 66 N CA -0.689 52.318 53.050 -0.071 0.000 0.931 66 N CB 1.072 39.492 38.487 -0.111 0.000 1.193 66 N HN 0.405 nan 8.380 nan 0.000 0.500 67 c N 1.067 119.630 118.600 -0.063 0.000 2.700 67 c HA 0.042 4.611 4.570 -0.001 0.000 0.397 67 c C 0.638 174.641 174.090 -0.144 0.000 1.301 67 c CA -0.501 55.770 56.329 -0.097 0.000 2.219 67 c CB -0.091 42.387 42.510 -0.053 0.000 2.699 67 c HN 0.531 nan 8.230 nan 0.000 0.669 68 Q N 2.384 122.013 119.800 -0.284 0.000 2.289 68 Q HA 0.233 4.573 4.340 -0.001 0.000 0.273 68 Q C -0.058 175.888 176.000 -0.089 0.000 1.029 68 Q CA 0.901 56.522 55.803 -0.303 0.000 0.896 68 Q CB 0.564 28.865 28.738 -0.728 0.000 1.182 68 Q HN 0.875 nan 8.270 nan 0.000 0.385 69 Q N 1.496 121.331 119.800 0.058 0.000 2.522 69 Q HA 0.286 4.625 4.340 -0.001 0.000 0.285 69 Q C -1.283 174.888 176.000 0.286 0.000 0.982 69 Q CA -1.011 54.924 55.803 0.219 0.000 0.805 69 Q CB 0.754 29.588 28.738 0.161 0.000 1.457 69 Q HN 0.484 nan 8.270 nan 0.000 0.394 70 Y N 1.178 121.674 120.300 0.327 0.000 2.712 70 Y HA 0.325 4.875 4.550 -0.001 0.000 0.333 70 Y C -1.068 175.009 175.900 0.296 0.000 1.225 70 Y CA 0.430 58.754 58.100 0.373 0.000 1.499 70 Y CB 0.815 39.632 38.460 0.595 0.000 1.288 70 Y HN 0.444 nan 8.280 nan 0.000 0.575 71 V N 6.502 126.167 119.914 -0.415 0.000 2.495 71 V HA 0.142 4.261 4.120 -0.001 0.000 0.298 71 V C -0.628 175.200 176.094 -0.443 0.000 1.031 71 V CA -1.058 61.092 62.300 -0.250 0.000 0.871 71 V CB 1.619 33.361 31.823 -0.136 0.000 0.988 71 V HN 0.763 nan 8.190 nan 0.000 0.432 72 D N 3.508 123.887 120.400 -0.035 0.000 2.339 72 D HA 0.149 4.789 4.640 -0.001 0.000 0.256 72 D C 0.489 176.846 176.300 0.097 0.000 1.214 72 D CA 0.251 54.337 54.000 0.143 0.000 0.877 72 D CB 0.976 41.993 40.800 0.363 0.000 1.111 72 D HN 0.671 nan 8.370 nan 0.000 0.478 73 E N 2.493 122.716 120.200 0.039 0.000 2.693 73 E HA -0.036 4.314 4.350 -0.001 0.000 0.214 73 E C 0.761 177.340 176.600 -0.036 0.000 0.990 73 E CA -0.133 56.277 56.400 0.016 0.000 1.047 73 E CB 0.693 30.376 29.700 -0.030 0.000 1.039 73 E HN 0.323 nan 8.360 nan 0.000 0.475 74 Q N -0.135 119.618 119.800 -0.078 0.000 2.224 74 Q HA -0.057 4.282 4.340 -0.001 0.000 0.203 74 Q C -0.300 175.198 176.000 -0.836 0.000 0.970 74 Q CA 1.259 56.766 55.803 -0.494 0.000 0.865 74 Q CB 0.210 28.541 28.738 -0.678 0.000 0.922 74 Q HN 0.124 nan 8.270 nan 0.000 0.445 75 F N 0.095 120.119 119.950 0.124 0.000 2.710 75 F HA 0.406 4.933 4.527 -0.001 0.000 0.345 75 F C -2.244 173.640 175.800 0.139 0.000 1.362 75 F CA -2.996 55.059 58.000 0.092 0.000 1.175 75 F CB 1.057 40.109 39.000 0.087 0.000 1.561 75 F HN -0.162 nan 8.300 nan 0.000 0.593 76 P HA 0.095 nan 4.420 nan 0.000 0.259 76 P C 1.024 178.414 177.300 0.151 0.000 1.163 76 P CA 1.481 64.659 63.100 0.131 0.000 0.760 76 P CB 0.510 32.251 31.700 0.069 0.000 0.762 77 G N 2.379 111.254 108.800 0.126 0.000 2.184 77 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.264 77 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.264 77 G C -0.045 174.934 174.900 0.131 0.000 0.975 77 G CA -0.424 44.734 45.100 0.096 0.000 0.642 77 G HN 0.528 nan 8.290 nan 0.000 0.536 78 F N 2.735 122.694 119.950 0.015 0.000 2.411 78 F HA 0.555 5.082 4.527 -0.001 0.000 0.350 78 F C 1.602 177.356 175.800 -0.078 0.000 1.114 78 F CA -0.369 57.592 58.000 -0.066 0.000 1.135 78 F CB 1.322 40.283 39.000 -0.066 0.000 1.120 78 F HN 0.191 nan 8.300 nan 0.000 0.495 79 S N 3.281 118.565 115.700 -0.693 0.000 2.402 79 S HA -0.075 4.394 4.470 -0.001 0.000 0.229 79 S C 2.211 176.433 174.600 -0.631 0.000 1.021 79 S CA 0.845 58.712 58.200 -0.554 0.000 0.974 79 S CB -1.172 61.736 63.200 -0.487 0.000 0.800 79 S HN 0.834 nan 8.310 nan 0.000 0.484 80 G N 1.911 109.906 108.800 -1.342 0.000 2.469 80 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.220 80 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.220 80 G C 1.745 176.869 174.900 0.373 0.000 1.136 80 G CA 1.536 46.173 45.100 -0.770 0.000 0.759 80 G HN 0.821 nan 8.290 nan 0.000 0.562 81 S N -0.327 115.629 115.700 0.426 0.000 2.468 81 S HA 0.137 4.607 4.470 -0.001 0.000 0.226 81 S C 1.845 176.711 174.600 0.445 0.000 1.051 81 S CA 0.764 59.420 58.200 0.760 0.000 0.943 81 S CB -0.039 63.743 63.200 0.970 0.000 0.810 81 S HN 0.485 nan 8.310 nan 0.000 0.509 82 E N 2.070 122.391 120.200 0.202 0.000 2.268 82 E HA -0.055 4.295 4.350 -0.001 0.000 0.195 82 E C 2.012 178.589 176.600 -0.038 0.000 0.995 82 E CA 1.231 57.682 56.400 0.085 0.000 0.836 82 E CB -0.457 29.260 29.700 0.029 0.000 0.763 82 E HN 0.827 nan 8.360 nan 0.000 0.491 83 M N -1.684 117.811 119.600 -0.174 0.000 2.632 83 M HA -0.047 4.433 4.480 -0.001 0.000 0.256 83 M C 0.950 176.950 176.300 -0.499 0.000 1.080 83 M CA 1.290 56.352 55.300 -0.396 0.000 1.084 83 M CB -0.329 31.926 32.600 -0.576 0.000 1.439 83 M HN 0.035 nan 8.290 nan 0.000 0.509 84 W N 0.940 122.158 121.300 -0.137 0.000 2.996 84 W HA 0.258 4.917 4.660 -0.001 0.000 0.270 84 W C 0.537 176.970 176.519 -0.143 0.000 1.280 84 W CA -0.782 56.457 57.345 -0.177 0.000 1.549 84 W CB -0.083 29.295 29.460 -0.137 0.000 1.079 84 W HN 0.115 nan 8.180 nan 0.000 0.629 85 N N 1.614 120.372 118.700 0.097 0.000 2.444 85 N HA 0.100 4.839 4.740 -0.001 0.000 0.255 85 N C -2.449 173.035 175.510 -0.044 0.000 1.255 85 N CA -1.265 51.809 53.050 0.040 0.000 0.933 85 N CB -0.273 38.239 38.487 0.042 0.000 1.143 85 N HN -0.330 nan 8.380 nan 0.000 0.453 86 P HA 0.028 nan 4.420 nan 0.000 0.264 86 P C 0.225 177.471 177.300 -0.089 0.000 1.183 86 P CA 0.093 63.138 63.100 -0.091 0.000 0.763 86 P CB 0.285 31.941 31.700 -0.074 0.000 0.807 87 N N 2.150 120.781 118.700 -0.114 0.000 2.204 87 N HA 0.071 4.811 4.740 -0.001 0.000 0.219 87 N C 0.053 175.519 175.510 -0.074 0.000 1.151 87 N CA -0.043 52.950 53.050 -0.096 0.000 0.867 87 N CB 0.373 38.790 38.487 -0.118 0.000 1.043 87 N HN 0.157 nan 8.380 nan 0.000 0.516 88 R N -0.555 119.897 120.500 -0.079 0.000 2.888 88 R HA 0.312 4.652 4.340 -0.001 0.000 0.264 88 R C -0.806 175.458 176.300 -0.059 0.000 1.045 88 R CA -0.714 55.350 56.100 -0.060 0.000 0.962 88 R CB 0.486 30.744 30.300 -0.070 0.000 1.210 88 R HN 0.116 nan 8.270 nan 0.000 0.479 89 E N 1.141 121.309 120.200 -0.053 0.000 2.415 89 E HA 0.118 4.468 4.350 -0.001 0.000 0.262 89 E C -0.095 176.468 176.600 -0.061 0.000 1.038 89 E CA 0.086 56.455 56.400 -0.052 0.000 0.921 89 E CB 0.476 30.146 29.700 -0.049 0.000 0.950 89 E HN 0.339 nan 8.360 nan 0.000 0.438 90 M N 2.701 122.265 119.600 -0.060 0.000 2.314 90 M HA 0.422 4.901 4.480 -0.001 0.000 0.342 90 M C 0.023 176.274 176.300 -0.082 0.000 1.171 90 M CA -0.114 55.141 55.300 -0.074 0.000 1.098 90 M CB 1.767 34.324 32.600 -0.072 0.000 1.559 90 M HN 0.571 nan 8.290 nan 0.000 0.459 91 S N 0.486 116.125 115.700 -0.103 0.000 2.558 91 S HA 0.202 4.672 4.470 -0.001 0.000 0.277 91 S C -0.033 174.480 174.600 -0.144 0.000 1.143 91 S CA -0.671 57.466 58.200 -0.105 0.000 0.865 91 S CB 1.444 64.608 63.200 -0.061 0.000 1.102 91 S HN 0.842 nan 8.310 nan 0.000 0.454 92 E N 0.940 121.036 120.200 -0.173 0.000 2.338 92 E HA -0.079 4.271 4.350 -0.001 0.000 0.197 92 E C -0.244 176.294 176.600 -0.103 0.000 1.007 92 E CA 0.532 56.810 56.400 -0.202 0.000 0.849 92 E CB 0.120 29.705 29.700 -0.192 0.000 0.774 92 E HN 0.516 nan 8.360 nan 0.000 0.506 93 D N 0.318 120.691 120.400 -0.045 0.000 2.483 93 D HA -0.008 4.632 4.640 -0.001 0.000 0.220 93 D C -0.013 176.369 176.300 0.137 0.000 1.173 93 D CA -0.248 53.769 54.000 0.029 0.000 0.964 93 D CB -0.048 40.790 40.800 0.064 0.000 1.046 93 D HN 0.135 nan 8.370 nan 0.000 0.517 94 c N 2.365 121.019 118.600 0.090 0.000 3.772 94 c HA 0.384 4.954 4.570 -0.001 0.000 0.293 94 c C 0.609 174.783 174.090 0.139 0.000 1.659 94 c CA -0.694 55.748 56.329 0.188 0.000 1.810 94 c CB -1.277 41.265 42.510 0.053 0.000 3.059 94 c HN 0.415 nan 8.230 nan 0.000 0.617 95 L N 2.670 123.731 121.223 -0.270 0.000 2.404 95 L HA 0.416 4.756 4.340 -0.001 0.000 0.277 95 L C -0.831 175.297 176.870 -1.237 0.000 1.184 95 L CA 0.538 54.972 54.840 -0.677 0.000 1.013 95 L CB -0.587 40.953 42.059 -0.865 0.000 1.318 95 L HN 0.377 nan 8.230 nan 0.000 0.435 96 Y N 2.204 122.359 120.300 -0.241 0.000 2.634 96 Y HA 0.695 5.244 4.550 -0.000 0.000 0.340 96 Y C -0.128 175.934 175.900 0.270 0.000 1.058 96 Y CA -1.281 56.771 58.100 -0.081 0.000 1.081 96 Y CB 1.839 40.254 38.460 -0.075 0.000 1.295 96 Y HN 0.207 nan 8.280 nan 0.000 0.487 97 L N -0.305 121.096 121.223 0.298 0.000 2.359 97 L HA 0.782 5.122 4.340 -0.001 0.000 0.256 97 L C -1.412 175.513 176.870 0.092 0.000 1.026 97 L CA -1.120 53.833 54.840 0.188 0.000 0.828 97 L CB 1.971 44.056 42.059 0.044 0.000 1.406 97 L HN 0.482 nan 8.230 nan 0.000 0.413 98 N N 1.422 120.177 118.700 0.093 0.000 2.238 98 N HA 0.728 5.467 4.740 -0.001 0.000 0.302 98 N C -1.374 174.081 175.510 -0.092 0.000 1.072 98 N CA -0.237 52.782 53.050 -0.052 0.000 0.792 98 N CB 2.786 41.228 38.487 -0.075 0.000 1.425 98 N HN 0.663 nan 8.380 nan 0.000 0.478 99 I N 0.408 120.848 120.570 -0.215 0.000 2.499 99 I HA 0.392 4.562 4.170 -0.001 0.000 0.288 99 I C -0.731 175.355 176.117 -0.052 0.000 1.048 99 I CA -0.713 60.553 61.300 -0.056 0.000 1.062 99 I CB 2.205 40.089 38.000 -0.192 0.000 1.238 99 I HN 0.238 nan 8.210 nan 0.000 0.426 100 W N 5.737 127.165 121.300 0.212 0.000 2.429 100 W HA 0.600 5.260 4.660 -0.001 0.000 0.314 100 W C -0.972 175.683 176.519 0.226 0.000 1.062 100 W CA -0.659 56.810 57.345 0.207 0.000 1.211 100 W CB 2.194 31.746 29.460 0.153 0.000 1.305 100 W HN 0.097 nan 8.180 nan 0.000 0.476 101 V N 4.903 125.081 119.914 0.439 0.000 2.531 101 V HA 0.270 4.390 4.120 -0.001 0.000 0.301 101 V C -2.046 174.238 176.094 0.317 0.000 1.034 101 V CA -2.385 60.141 62.300 0.377 0.000 0.865 101 V CB 1.990 34.088 31.823 0.458 0.000 0.995 101 V HN 0.261 nan 8.190 nan 0.000 0.424 102 P HA 0.079 nan 4.420 nan 0.000 0.267 102 P C -0.534 176.893 177.300 0.213 0.000 1.201 102 P CA 0.344 63.579 63.100 0.226 0.000 0.775 102 P CB 0.514 32.312 31.700 0.163 0.000 0.854 103 S N 1.795 117.618 115.700 0.205 0.000 2.519 103 S HA 0.547 5.017 4.470 -0.001 0.000 0.309 103 S C -2.420 172.269 174.600 0.148 0.000 1.100 103 S CA -1.565 56.739 58.200 0.173 0.000 1.059 103 S CB 0.145 63.449 63.200 0.174 0.000 1.008 103 S HN 0.256 nan 8.310 nan 0.000 0.478 104 P HA 0.205 nan 4.420 nan 0.000 0.272 104 P C -0.515 176.858 177.300 0.122 0.000 1.223 104 P CA -0.632 62.534 63.100 0.110 0.000 0.784 104 P CB 0.447 32.197 31.700 0.084 0.000 0.923 105 R N 2.232 122.813 120.500 0.133 0.000 2.504 105 R HA 0.076 4.415 4.340 -0.001 0.000 0.291 105 R C -1.893 174.475 176.300 0.114 0.000 0.974 105 R CA -0.755 55.434 56.100 0.148 0.000 1.077 105 R CB -0.474 29.916 30.300 0.151 0.000 0.926 105 R HN 0.373 nan 8.270 nan 0.000 0.407 106 P HA 0.078 nan 4.420 nan 0.000 0.274 106 P C -0.200 177.140 177.300 0.066 0.000 1.260 106 P CA -0.376 62.774 63.100 0.084 0.000 0.793 106 P CB 0.691 32.444 31.700 0.089 0.000 1.048 107 K N -0.869 119.557 120.400 0.043 0.000 2.262 107 K HA 0.196 4.516 4.320 -0.001 0.000 0.200 107 K C 0.424 177.029 176.600 0.008 0.000 1.058 107 K CA 0.844 57.146 56.287 0.024 0.000 0.974 107 K CB -0.092 32.417 32.500 0.016 0.000 0.910 107 K HN 0.281 nan 8.250 nan 0.000 0.484 108 S N 0.949 116.655 115.700 0.009 0.000 2.689 108 S HA 0.161 4.631 4.470 -0.001 0.000 0.151 108 S C -1.113 173.489 174.600 0.004 0.000 1.155 108 S CA -0.321 57.875 58.200 -0.006 0.000 1.144 108 S CB 0.392 63.578 63.200 -0.024 0.000 1.526 108 S HN 0.148 nan 8.310 nan 0.000 0.419 109 T N 1.688 116.254 114.554 0.021 0.000 2.949 109 T HA 0.588 4.938 4.350 -0.001 0.000 0.287 109 T C 0.123 174.836 174.700 0.022 0.000 1.034 109 T CA -0.086 62.028 62.100 0.023 0.000 1.018 109 T CB 1.224 70.116 68.868 0.040 0.000 1.135 109 T HN 0.398 nan 8.240 nan 0.000 0.532 110 T N 2.236 116.798 114.554 0.013 0.000 2.933 110 T HA 0.291 4.641 4.350 -0.001 0.000 0.306 110 T C -0.263 174.458 174.700 0.035 0.000 1.045 110 T CA -0.109 61.995 62.100 0.008 0.000 1.143 110 T CB 0.124 68.984 68.868 -0.013 0.000 1.003 110 T HN 0.407 nan 8.240 nan 0.000 0.540 111 V N 5.044 124.983 119.914 0.042 0.000 2.555 111 V HA 0.515 4.635 4.120 -0.001 0.000 0.302 111 V C -0.018 176.128 176.094 0.086 0.000 1.038 111 V CA -0.777 61.571 62.300 0.079 0.000 0.887 111 V CB 1.747 33.622 31.823 0.087 0.000 0.991 111 V HN 0.832 nan 8.190 nan 0.000 0.434 112 M N 4.403 124.079 119.600 0.128 0.000 2.197 112 M HA 0.552 5.032 4.480 -0.001 0.000 0.301 112 M C -1.342 175.184 176.300 0.377 0.000 0.987 112 M CA -0.620 54.771 55.300 0.152 0.000 0.921 112 M CB 2.243 34.818 32.600 -0.042 0.000 1.569 112 M HN 0.363 nan 8.290 nan 0.000 0.431 113 V N 3.268 123.449 119.914 0.444 0.000 2.357 113 V HA 0.327 4.447 4.120 -0.001 0.000 0.284 113 V C -0.773 175.632 176.094 0.519 0.000 1.018 113 V CA -0.618 61.935 62.300 0.421 0.000 0.841 113 V CB 1.461 33.405 31.823 0.201 0.000 0.991 113 V HN 0.858 nan 8.190 nan 0.000 0.437 114 W N 7.095 128.519 121.300 0.207 0.000 2.316 114 W HA 0.595 5.255 4.660 -0.000 0.000 0.311 114 W C -1.242 175.174 176.519 -0.172 0.000 1.217 114 W CA -0.717 56.480 57.345 -0.247 0.000 1.199 114 W CB 1.137 30.462 29.460 -0.225 0.000 1.202 114 W HN 0.444 nan 8.180 nan 0.000 0.528 115 I N 9.465 129.432 120.570 -1.005 0.000 2.390 115 I HA 0.051 4.221 4.170 -0.001 0.000 0.283 115 I C -0.227 175.122 176.117 -1.280 0.000 1.016 115 I CA -1.134 59.639 61.300 -0.880 0.000 1.151 115 I CB 0.474 38.145 38.000 -0.547 0.000 1.293 115 I HN 0.292 nan 8.210 nan 0.000 0.458 116 Y N 4.559 124.355 120.300 -0.841 0.000 2.550 116 Y HA 0.584 5.134 4.550 -0.000 0.000 0.343 116 Y C 0.720 176.462 175.900 -0.263 0.000 1.245 116 Y CA -0.852 56.898 58.100 -0.583 0.000 1.462 116 Y CB -0.122 38.251 38.460 -0.145 0.000 1.340 116 Y HN 0.521 nan 8.280 nan 0.000 0.604 117 G N -0.510 108.329 108.800 0.066 0.000 2.568 117 G HA2 0.515 4.474 3.960 -0.001 0.000 0.293 117 G HA3 0.515 4.474 3.960 -0.001 0.000 0.293 117 G C 0.191 175.075 174.900 -0.027 0.000 1.347 117 G CA -0.929 44.154 45.100 -0.029 0.000 1.039 117 G HN 1.704 nan 8.290 nan 0.000 0.523 118 G N -2.660 105.987 108.800 -0.255 0.000 2.334 118 G HA2 0.423 4.383 3.960 -0.001 0.000 0.222 118 G HA3 0.423 4.383 3.960 -0.001 0.000 0.222 118 G C 0.963 175.400 174.900 -0.773 0.000 1.077 118 G CA 0.667 45.485 45.100 -0.469 0.000 0.861 118 G HN 2.250 nan 8.290 nan 0.000 0.508 119 G N -0.313 108.048 108.800 -0.733 0.000 2.269 119 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.277 119 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.277 119 G C 0.968 175.668 174.900 -0.333 0.000 1.008 119 G CA 0.857 45.365 45.100 -0.988 0.000 0.774 119 G HN 1.736 nan 8.290 nan 0.000 0.511 120 F N -3.598 116.294 119.950 -0.097 0.000 2.825 120 F HA -0.327 4.200 4.527 -0.000 0.000 0.358 120 F C 1.516 177.425 175.800 0.182 0.000 0.639 120 F CA 2.151 60.190 58.000 0.065 0.000 1.153 120 F CB -2.056 36.839 39.000 -0.175 0.000 1.610 120 F HN 0.853 nan 8.300 nan 0.000 0.305 121 Y N -0.889 119.490 120.300 0.131 0.000 2.430 121 Y HA 0.642 5.191 4.550 -0.001 0.000 0.248 121 Y C 0.701 176.715 175.900 0.191 0.000 1.108 121 Y CA 0.331 58.533 58.100 0.171 0.000 1.264 121 Y CB 0.040 38.525 38.460 0.041 0.000 1.172 121 Y HN 0.098 nan 8.280 nan 0.000 0.520 122 S N -0.706 114.762 115.700 -0.387 0.000 2.688 122 S HA 0.890 5.360 4.470 -0.001 0.000 0.275 122 S C -0.272 174.175 174.600 -0.255 0.000 1.175 122 S CA -0.472 57.574 58.200 -0.257 0.000 0.818 122 S CB 1.479 64.472 63.200 -0.346 0.000 1.157 122 S HN 1.282 nan 8.310 nan 0.000 0.482 123 G N -0.294 108.331 108.800 -0.292 0.000 2.348 123 G HA2 0.433 4.392 3.960 -0.001 0.000 0.606 123 G HA3 0.433 4.392 3.960 -0.001 0.000 0.606 123 G C -1.081 173.213 174.900 -1.011 0.000 1.466 123 G CA -0.305 44.457 45.100 -0.564 0.000 0.950 123 G HN 1.302 nan 8.290 nan 0.000 0.657 124 S N -0.990 114.099 115.700 -1.019 0.000 2.541 124 S HA 0.706 5.175 4.470 -0.001 0.000 0.271 124 S C 0.934 175.361 174.600 -0.288 0.000 1.133 124 S CA 0.103 57.901 58.200 -0.669 0.000 0.876 124 S CB 1.813 64.830 63.200 -0.305 0.000 1.105 124 S HN 1.932 nan 8.310 nan 0.000 0.470 125 S N -0.243 115.483 115.700 0.043 0.000 2.558 125 S HA -0.033 4.437 4.470 -0.001 0.000 0.217 125 S C 1.312 175.998 174.600 0.143 0.000 0.975 125 S CA 0.755 59.173 58.200 0.363 0.000 0.912 125 S CB -0.558 62.894 63.200 0.419 0.000 0.776 125 S HN 0.828 nan 8.310 nan 0.000 0.526 126 T N 0.200 114.637 114.554 -0.195 0.000 3.086 126 T HA 0.404 4.754 4.350 -0.001 0.000 0.250 126 T C 0.514 174.956 174.700 -0.429 0.000 1.074 126 T CA -0.535 61.159 62.100 -0.676 0.000 0.988 126 T CB -0.566 67.769 68.868 -0.888 0.000 0.988 126 T HN 0.314 nan 8.240 nan 0.000 0.530 127 L N 2.059 123.100 121.223 -0.304 0.000 2.483 127 L HA 0.152 4.492 4.340 -0.001 0.000 0.276 127 L C 1.300 177.928 176.870 -0.403 0.000 1.213 127 L CA -0.486 54.081 54.840 -0.456 0.000 0.843 127 L CB 0.356 41.910 42.059 -0.842 0.000 1.107 127 L HN 0.085 nan 8.230 nan 0.000 0.487 128 D N 1.303 121.487 120.400 -0.359 0.000 2.149 128 D HA -0.159 4.481 4.640 -0.001 0.000 0.198 128 D C 1.898 177.990 176.300 -0.346 0.000 0.990 128 D CA 1.042 54.891 54.000 -0.252 0.000 0.839 128 D CB 0.120 40.784 40.800 -0.228 0.000 0.948 128 D HN 0.391 nan 8.370 nan 0.000 0.460 129 V N 0.240 119.798 119.914 -0.594 0.000 3.305 129 V HA -0.183 3.937 4.120 -0.001 0.000 0.269 129 V C 0.544 176.171 176.094 -0.778 0.000 1.157 129 V CA 1.055 62.967 62.300 -0.647 0.000 1.157 129 V CB -0.554 30.777 31.823 -0.821 0.000 0.772 129 V HN 0.136 nan 8.190 nan 0.000 0.498 130 Y N -0.725 119.116 120.300 -0.764 0.000 2.555 130 Y HA 0.419 4.969 4.550 -0.000 0.000 0.259 130 Y C 0.996 176.483 175.900 -0.688 0.000 1.179 130 Y CA -1.508 55.858 58.100 -1.223 0.000 1.230 130 Y CB -0.881 37.166 38.460 -0.689 0.000 1.146 130 Y HN 0.212 nan 8.280 nan 0.000 0.526 131 N N 1.521 120.068 118.700 -0.255 0.000 2.417 131 N HA -0.029 4.711 4.740 -0.001 0.000 0.272 131 N C 1.321 176.541 175.510 -0.483 0.000 1.304 131 N CA 0.659 53.563 53.050 -0.243 0.000 0.906 131 N CB 1.104 39.529 38.487 -0.104 0.000 1.135 131 N HN 0.476 nan 8.380 nan 0.000 0.483 132 G N 3.332 111.292 108.800 -1.400 0.000 2.920 132 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.208 132 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.208 132 G C 1.422 175.701 174.900 -1.035 0.000 1.159 132 G CA 0.354 44.795 45.100 -1.099 0.000 0.784 132 G HN 0.751 nan 8.290 nan 0.000 0.535 133 K N -0.317 119.288 120.400 -1.325 0.000 2.097 133 K HA -0.158 4.161 4.320 -0.001 0.000 0.206 133 K C 1.766 178.137 176.600 -0.382 0.000 1.049 133 K CA 1.165 57.028 56.287 -0.707 0.000 0.933 133 K CB -0.538 31.617 32.500 -0.575 0.000 0.717 133 K HN 0.298 nan 8.250 nan 0.000 0.442 134 Y N 1.074 121.295 120.300 -0.133 0.000 2.181 134 Y HA -0.134 4.415 4.550 -0.001 0.000 0.288 134 Y C 2.319 178.211 175.900 -0.013 0.000 1.146 134 Y CA 0.721 58.801 58.100 -0.032 0.000 1.164 134 Y CB -0.606 37.808 38.460 -0.077 0.000 0.982 134 Y HN 0.045 nan 8.280 nan 0.000 0.515 135 L N -0.044 121.197 121.223 0.030 0.000 2.072 135 L HA 0.013 4.352 4.340 -0.001 0.000 0.205 135 L C 2.378 179.255 176.870 0.012 0.000 1.079 135 L CA 1.743 56.563 54.840 -0.034 0.000 0.752 135 L CB -1.261 40.692 42.059 -0.176 0.000 0.906 135 L HN 0.137 nan 8.230 nan 0.000 0.436 136 A N -1.199 121.642 122.820 0.033 0.000 1.865 136 A HA -0.317 4.003 4.320 -0.001 0.000 0.217 136 A C 2.328 179.993 177.584 0.135 0.000 1.191 136 A CA 2.053 54.162 52.037 0.119 0.000 0.623 136 A CB -1.280 17.853 19.000 0.221 0.000 0.826 136 A HN 0.589 nan 8.150 nan 0.000 0.444 137 Y N 1.211 121.530 120.300 0.032 0.000 2.114 137 Y HA -0.188 4.362 4.550 -0.001 0.000 0.284 137 Y C 2.671 178.594 175.900 0.038 0.000 1.143 137 Y CA 2.441 60.565 58.100 0.040 0.000 1.135 137 Y CB -0.819 37.651 38.460 0.018 0.000 0.980 137 Y HN 0.302 nan 8.280 nan 0.000 0.499 138 T N 0.340 114.856 114.554 -0.063 0.000 2.777 138 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 138 T C 1.327 175.953 174.700 -0.123 0.000 1.040 138 T CA 1.693 63.699 62.100 -0.156 0.000 1.141 138 T CB -0.112 68.760 68.868 0.006 0.000 0.868 138 T HN 0.331 nan 8.240 nan 0.000 0.444 139 E N 0.641 120.816 120.200 -0.041 0.000 2.481 139 E HA 0.095 4.444 4.350 -0.001 0.000 0.198 139 E C -0.016 176.582 176.600 -0.003 0.000 1.027 139 E CA 0.038 56.440 56.400 0.003 0.000 0.900 139 E CB 0.126 29.844 29.700 0.029 0.000 0.993 139 E HN 0.604 nan 8.360 nan 0.000 0.482 140 E N 0.182 120.370 120.200 -0.020 0.000 2.271 140 E HA -0.162 4.188 4.350 -0.001 0.000 0.223 140 E C -0.089 176.537 176.600 0.043 0.000 1.223 140 E CA 0.451 56.857 56.400 0.011 0.000 0.704 140 E CB -2.089 27.608 29.700 -0.006 0.000 1.194 140 E HN 0.126 nan 8.360 nan 0.000 0.375 141 V N -3.684 116.267 119.914 0.062 0.000 3.046 141 V HA 0.676 4.795 4.120 -0.001 0.000 0.316 141 V C 0.417 176.587 176.094 0.126 0.000 1.104 141 V CA -1.132 61.211 62.300 0.072 0.000 1.006 141 V CB 2.290 34.138 31.823 0.042 0.000 1.058 141 V HN -0.012 nan 8.190 nan 0.000 0.440 142 V N 4.166 124.162 119.914 0.137 0.000 2.368 142 V HA 0.298 4.418 4.120 -0.001 0.000 0.266 142 V C 0.003 176.227 176.094 0.217 0.000 1.045 142 V CA -0.312 62.101 62.300 0.189 0.000 0.899 142 V CB 1.018 32.938 31.823 0.162 0.000 1.006 142 V HN 0.756 nan 8.190 nan 0.000 0.470 143 L N 7.713 129.120 121.223 0.308 0.000 2.272 143 L HA 0.592 4.932 4.340 -0.001 0.000 0.289 143 L C -0.448 176.720 176.870 0.498 0.000 1.032 143 L CA 0.151 55.220 54.840 0.382 0.000 0.810 143 L CB 1.662 43.935 42.059 0.357 0.000 1.205 143 L HN 0.392 nan 8.230 nan 0.000 0.422 144 V N 3.962 124.136 119.914 0.432 0.000 2.581 144 V HA 0.587 4.706 4.120 -0.001 0.000 0.303 144 V C 0.029 176.406 176.094 0.472 0.000 1.041 144 V CA -0.599 61.931 62.300 0.383 0.000 0.907 144 V CB 2.077 34.039 31.823 0.232 0.000 0.994 144 V HN 0.910 nan 8.190 nan 0.000 0.442 145 S N 4.618 120.597 115.700 0.465 0.000 2.561 145 S HA 0.820 5.290 4.470 -0.001 0.000 0.303 145 S C -0.833 173.950 174.600 0.306 0.000 1.110 145 S CA -0.784 57.701 58.200 0.475 0.000 1.034 145 S CB 1.524 65.110 63.200 0.643 0.000 1.010 145 S HN 0.675 nan 8.310 nan 0.000 0.482 146 L N 0.943 122.277 121.223 0.185 0.000 2.544 146 L HA 1.000 5.339 4.340 -0.001 0.000 0.256 146 L C 0.188 177.180 176.870 0.203 0.000 1.097 146 L CA -0.689 54.219 54.840 0.113 0.000 0.812 146 L CB 0.145 42.145 42.059 -0.097 0.000 1.440 146 L HN 0.889 nan 8.230 nan 0.000 0.496 147 S N -1.636 114.244 115.700 0.299 0.000 2.627 147 S HA 0.902 5.371 4.470 -0.001 0.000 0.283 147 S C -1.261 173.568 174.600 0.381 0.000 1.127 147 S CA -0.505 57.893 58.200 0.330 0.000 0.863 147 S CB 1.590 65.042 63.200 0.420 0.000 1.121 147 S HN 1.200 nan 8.310 nan 0.000 0.479 148 Y N -1.757 118.653 120.300 0.184 0.000 2.604 148 Y HA 0.683 5.233 4.550 -0.000 0.000 0.331 148 Y C -0.812 175.222 175.900 0.223 0.000 1.158 148 Y CA -1.404 56.802 58.100 0.176 0.000 1.056 148 Y CB 0.629 39.147 38.460 0.096 0.000 1.330 148 Y HN 0.781 nan 8.280 nan 0.000 0.457 149 R N 1.737 122.383 120.500 0.244 0.000 2.590 149 R HA 0.543 4.882 4.340 -0.001 0.000 0.274 149 R C -0.153 176.337 176.300 0.317 0.000 1.061 149 R CA -0.140 56.063 56.100 0.172 0.000 1.081 149 R CB 0.945 31.317 30.300 0.120 0.000 0.984 149 R HN 0.701 nan 8.270 nan 0.000 0.448 150 V N -0.507 119.611 119.914 0.340 0.000 3.181 150 V HA 0.896 5.016 4.120 -0.001 0.000 0.314 150 V C 0.696 177.145 176.094 0.590 0.000 1.173 150 V CA -0.129 62.504 62.300 0.554 0.000 1.052 150 V CB 1.112 33.148 31.823 0.356 0.000 1.123 150 V HN 0.972 nan 8.190 nan 0.000 0.454 151 G N 0.259 109.439 108.800 0.634 0.000 2.601 151 G HA2 0.033 3.993 3.960 -0.001 0.000 0.261 151 G HA3 0.033 3.993 3.960 -0.001 0.000 0.261 151 G C 0.994 176.115 174.900 0.368 0.000 1.289 151 G CA 1.009 46.435 45.100 0.542 0.000 0.920 151 G HN 2.223 nan 8.290 nan 0.000 0.571 152 A N -1.284 121.447 122.820 -0.149 0.000 1.933 152 A HA 0.229 4.549 4.320 -0.001 0.000 0.218 152 A C 2.242 179.702 177.584 -0.207 0.000 1.175 152 A CA 2.506 54.086 52.037 -0.762 0.000 0.628 152 A CB -0.526 17.803 19.000 -1.118 0.000 0.814 152 A HN 0.989 nan 8.150 nan 0.000 0.444 153 F N 0.109 120.135 119.950 0.126 0.000 2.202 153 F HA -0.065 4.462 4.527 -0.001 0.000 0.301 153 F C 2.403 178.238 175.800 0.058 0.000 1.082 153 F CA 1.166 59.229 58.000 0.104 0.000 1.313 153 F CB -0.556 38.447 39.000 0.005 0.000 1.024 153 F HN 0.299 nan 8.300 nan 0.000 0.495 154 G N -2.465 106.441 108.800 0.177 0.000 2.939 154 G HA2 0.094 4.054 3.960 -0.001 0.000 0.216 154 G HA3 0.094 4.054 3.960 -0.001 0.000 0.216 154 G C 0.716 175.113 174.900 -0.838 0.000 1.125 154 G CA 0.076 45.013 45.100 -0.271 0.000 0.766 154 G HN 0.341 nan 8.290 nan 0.000 0.541 155 F N -0.486 119.556 119.950 0.155 0.000 2.899 155 F HA 0.422 4.949 4.527 -0.001 0.000 0.337 155 F C 0.345 176.186 175.800 0.068 0.000 1.129 155 F CA -1.011 57.053 58.000 0.107 0.000 1.128 155 F CB 0.371 39.460 39.000 0.147 0.000 1.154 155 F HN -0.092 nan 8.300 nan 0.000 0.531 156 L N 2.296 123.498 121.223 -0.035 0.000 2.559 156 L HA 0.429 4.768 4.340 -0.001 0.000 0.274 156 L C 0.158 176.976 176.870 -0.086 0.000 1.205 156 L CA 0.289 54.989 54.840 -0.232 0.000 0.907 156 L CB 0.350 41.943 42.059 -0.776 0.000 1.153 156 L HN 0.166 nan 8.230 nan 0.000 0.490 157 A N 6.980 129.806 122.820 0.011 0.000 2.340 157 A HA 0.626 4.945 4.320 -0.001 0.000 0.297 157 A C -0.850 176.743 177.584 0.015 0.000 1.195 157 A CA -0.495 51.557 52.037 0.025 0.000 0.769 157 A CB 0.658 19.706 19.000 0.079 0.000 1.163 157 A HN 0.704 nan 8.150 nan 0.000 0.472 158 L N 3.638 124.862 121.223 0.002 0.000 2.502 158 L HA 0.240 4.580 4.340 -0.001 0.000 0.247 158 L C 0.036 176.943 176.870 0.062 0.000 1.180 158 L CA -0.789 54.058 54.840 0.013 0.000 0.956 158 L CB 0.355 42.391 42.059 -0.038 0.000 1.282 158 L HN 0.899 nan 8.230 nan 0.000 0.470 159 H N 1.782 120.850 119.070 -0.003 0.000 3.115 159 H HA 0.214 4.769 4.556 -0.001 0.000 0.324 159 H C 1.186 176.519 175.328 0.008 0.000 1.007 159 H CA 1.601 57.655 56.048 0.009 0.000 1.385 159 H CB 0.817 30.588 29.762 0.015 0.000 1.351 159 H HN 0.697 nan 8.280 nan 0.000 0.592 160 G N 2.689 111.197 108.800 -0.487 0.000 2.279 160 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.223 160 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.223 160 G C 0.409 175.215 174.900 -0.157 0.000 1.015 160 G CA 0.323 45.210 45.100 -0.356 0.000 0.621 160 G HN 1.042 nan 8.290 nan 0.000 0.506 161 S N -0.108 115.539 115.700 -0.089 0.000 2.616 161 S HA 0.593 5.063 4.470 -0.001 0.000 0.277 161 S C 0.800 175.386 174.600 -0.023 0.000 1.234 161 S CA 0.946 59.122 58.200 -0.040 0.000 1.028 161 S CB 2.063 65.251 63.200 -0.019 0.000 0.988 161 S HN 0.503 nan 8.310 nan 0.000 0.522 162 Q N 1.144 120.942 119.800 -0.005 0.000 2.282 162 Q HA 0.210 4.550 4.340 -0.001 0.000 0.206 162 Q C 1.279 177.299 176.000 0.032 0.000 0.878 162 Q CA 0.078 55.888 55.803 0.012 0.000 0.944 162 Q CB 0.231 28.974 28.738 0.010 0.000 1.100 162 Q HN 0.799 nan 8.270 nan 0.000 0.509 163 E N 0.426 120.649 120.200 0.038 0.000 2.170 163 E HA 0.180 4.530 4.350 -0.001 0.000 0.191 163 E C 0.504 177.162 176.600 0.097 0.000 0.981 163 E CA 0.861 57.301 56.400 0.068 0.000 0.830 163 E CB 0.545 30.288 29.700 0.073 0.000 0.775 163 E HN 0.343 nan 8.360 nan 0.000 0.470 164 A N 1.687 124.539 122.820 0.053 0.000 3.266 164 A HA 0.304 4.624 4.320 -0.001 0.000 0.310 164 A C -2.107 175.481 177.584 0.007 0.000 1.066 164 A CA -0.923 51.130 52.037 0.027 0.000 0.839 164 A CB 0.747 19.674 19.000 -0.121 0.000 1.192 164 A HN -0.118 nan 8.150 nan 0.000 0.496 165 P HA 0.162 nan 4.420 nan 0.000 0.225 165 P C 0.876 178.225 177.300 0.082 0.000 1.156 165 P CA 1.678 64.814 63.100 0.062 0.000 0.787 165 P CB 0.278 32.017 31.700 0.065 0.000 0.802 166 G N 0.605 109.433 108.800 0.047 0.000 2.662 166 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.686 166 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.686 166 G C -0.133 174.780 174.900 0.021 0.000 1.271 166 G CA -0.292 44.842 45.100 0.056 0.000 0.816 166 G HN 0.099 nan 8.290 nan 0.000 0.608 167 N N -2.451 116.264 118.700 0.025 0.000 2.815 167 N HA -0.289 4.450 4.740 -0.001 0.000 0.247 167 N C 1.942 177.330 175.510 -0.204 0.000 1.030 167 N CA 2.566 55.566 53.050 -0.083 0.000 0.881 167 N CB -1.663 36.705 38.487 -0.199 0.000 1.134 167 N HN 1.930 nan 8.380 nan 0.000 0.582 168 V N -2.710 117.071 119.914 -0.223 0.000 2.720 168 V HA 0.013 4.132 4.120 -0.001 0.000 0.256 168 V C 2.283 178.263 176.094 -0.190 0.000 1.082 168 V CA 2.268 64.481 62.300 -0.146 0.000 1.101 168 V CB -0.888 30.896 31.823 -0.064 0.000 0.693 168 V HN 0.284 nan 8.190 nan 0.000 0.479 169 G N 0.403 108.891 108.800 -0.520 0.000 2.408 169 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.217 169 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.217 169 G C 1.540 176.437 174.900 -0.005 0.000 1.150 169 G CA 1.097 46.030 45.100 -0.278 0.000 0.776 169 G HN 0.529 nan 8.290 nan 0.000 0.542 170 L N -0.142 121.047 121.223 -0.057 0.000 2.093 170 L HA 0.072 4.411 4.340 -0.001 0.000 0.208 170 L C 2.805 179.760 176.870 0.142 0.000 1.085 170 L CA 0.434 55.248 54.840 -0.043 0.000 0.755 170 L CB -0.255 41.520 42.059 -0.474 0.000 0.904 170 L HN 0.181 nan 8.230 nan 0.000 0.435 171 L N -0.685 120.604 121.223 0.110 0.000 2.201 171 L HA -0.188 4.152 4.340 -0.001 0.000 0.212 171 L C 2.083 179.048 176.870 0.160 0.000 1.105 171 L CA 0.692 55.642 54.840 0.184 0.000 0.775 171 L CB -0.563 41.578 42.059 0.138 0.000 0.913 171 L HN 0.269 nan 8.230 nan 0.000 0.440 172 D N 0.013 120.506 120.400 0.155 0.000 2.097 172 D HA -0.191 4.448 4.640 -0.001 0.000 0.195 172 D C 2.280 178.678 176.300 0.163 0.000 0.989 172 D CA 1.155 55.306 54.000 0.252 0.000 0.827 172 D CB -0.143 40.844 40.800 0.312 0.000 0.966 172 D HN 0.389 nan 8.370 nan 0.000 0.456 173 Q N 0.160 120.014 119.800 0.090 0.000 2.084 173 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 173 Q C 2.284 178.207 176.000 -0.128 0.000 0.978 173 Q CA 1.027 56.800 55.803 -0.050 0.000 0.844 173 Q CB -0.065 28.670 28.738 -0.005 0.000 0.898 173 Q HN 0.197 nan 8.270 nan 0.000 0.426 174 R N 0.664 121.168 120.500 0.006 0.000 2.081 174 R HA -0.138 4.201 4.340 -0.001 0.000 0.235 174 R C 2.210 178.488 176.300 -0.037 0.000 1.131 174 R CA 1.454 57.532 56.100 -0.036 0.000 0.960 174 R CB -0.173 30.198 30.300 0.117 0.000 0.856 174 R HN 0.277 nan 8.270 nan 0.000 0.436 175 M N 0.028 119.639 119.600 0.018 0.000 2.159 175 M HA -0.121 4.358 4.480 -0.001 0.000 0.263 175 M C 2.074 178.330 176.300 -0.073 0.000 1.063 175 M CA 1.967 57.307 55.300 0.068 0.000 1.110 175 M CB -0.024 32.717 32.600 0.236 0.000 1.374 175 M HN 0.322 nan 8.290 nan 0.000 0.411 176 A N 0.253 122.783 122.820 -0.483 0.000 1.930 176 A HA -0.094 4.226 4.320 -0.001 0.000 0.217 176 A C 1.971 179.431 177.584 -0.207 0.000 1.175 176 A CA 1.236 52.814 52.037 -0.765 0.000 0.627 176 A CB -0.903 17.371 19.000 -1.209 0.000 0.815 176 A HN 0.571 nan 8.150 nan 0.000 0.443 177 L N -0.974 120.152 121.223 -0.161 0.000 2.141 177 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 177 L C 2.809 179.710 176.870 0.052 0.000 1.094 177 L CA 1.620 56.431 54.840 -0.048 0.000 0.763 177 L CB -0.430 41.562 42.059 -0.111 0.000 0.908 177 L HN 0.494 nan 8.230 nan 0.000 0.437 178 Q N -0.336 119.492 119.800 0.048 0.000 2.079 178 Q HA -0.242 4.098 4.340 -0.001 0.000 0.200 178 Q C 2.014 178.119 176.000 0.175 0.000 0.974 178 Q CA 1.797 57.651 55.803 0.085 0.000 0.840 178 Q CB -0.407 28.372 28.738 0.069 0.000 0.898 178 Q HN 0.465 nan 8.270 nan 0.000 0.430 179 W N -0.708 120.607 121.300 0.025 0.000 2.381 179 W HA -0.139 4.521 4.660 -0.001 0.000 0.301 179 W C 1.833 178.393 176.519 0.068 0.000 1.205 179 W CA 1.607 58.991 57.345 0.065 0.000 1.285 179 W CB -0.132 29.366 29.460 0.063 0.000 1.133 179 W HN 0.002 nan 8.180 nan 0.000 0.521 180 V N -0.078 120.045 119.914 0.349 0.000 2.343 180 V HA -0.373 3.747 4.120 -0.001 0.000 0.247 180 V C 2.162 178.298 176.094 0.071 0.000 1.051 180 V CA 2.458 64.888 62.300 0.217 0.000 1.036 180 V CB -1.361 30.570 31.823 0.180 0.000 0.654 180 V HN 0.349 nan 8.190 nan 0.000 0.451 181 H N 0.467 119.536 119.070 -0.002 0.000 2.319 181 H HA -0.176 4.380 4.556 -0.001 0.000 0.299 181 H C 2.003 177.265 175.328 -0.111 0.000 1.092 181 H CA 2.216 58.239 56.048 -0.041 0.000 1.302 181 H CB -0.056 29.695 29.762 -0.019 0.000 1.373 181 H HN 0.405 nan 8.280 nan 0.000 0.497 182 D N -0.631 119.742 120.400 -0.046 0.000 2.194 182 D HA -0.071 4.569 4.640 -0.001 0.000 0.204 182 D C 1.124 177.241 176.300 -0.305 0.000 0.964 182 D CA 0.870 54.768 54.000 -0.170 0.000 0.846 182 D CB 0.014 40.743 40.800 -0.117 0.000 0.962 182 D HN 0.520 nan 8.370 nan 0.000 0.490 183 N N -0.198 118.247 118.700 -0.425 0.000 2.210 183 N HA 0.038 4.778 4.740 -0.001 0.000 0.203 183 N C 1.487 176.891 175.510 -0.176 0.000 1.175 183 N CA -0.151 52.669 53.050 -0.383 0.000 0.894 183 N CB 1.039 38.968 38.487 -0.930 0.000 1.041 183 N HN 0.032 nan 8.380 nan 0.000 0.506 184 I N 3.049 123.540 120.570 -0.131 0.000 2.567 184 I HA -0.251 3.918 4.170 -0.001 0.000 0.257 184 I C 2.606 178.713 176.117 -0.016 0.000 1.184 184 I CA 1.202 62.533 61.300 0.052 0.000 1.451 184 I CB -0.141 37.877 38.000 0.030 0.000 1.089 184 I HN 0.192 nan 8.210 nan 0.000 0.441 185 Q N -0.528 119.082 119.800 -0.318 0.000 2.135 185 Q HA -0.247 4.093 4.340 -0.001 0.000 0.204 185 Q C 1.903 177.698 176.000 -0.342 0.000 0.981 185 Q CA 1.739 57.305 55.803 -0.395 0.000 0.856 185 Q CB -0.933 27.432 28.738 -0.621 0.000 0.902 185 Q HN 0.418 nan 8.270 nan 0.000 0.425 186 F N -0.082 119.830 119.950 -0.064 0.000 2.546 186 F HA 0.053 4.579 4.527 -0.001 0.000 0.298 186 F C 1.008 176.619 175.800 -0.315 0.000 1.120 186 F CA 0.402 58.275 58.000 -0.212 0.000 1.456 186 F CB -0.201 38.595 39.000 -0.340 0.000 1.088 186 F HN 0.005 nan 8.300 nan 0.000 0.572 187 F N -0.686 119.278 119.950 0.022 0.000 2.664 187 F HA 0.427 4.954 4.527 -0.001 0.000 0.303 187 F C 1.774 177.591 175.800 0.028 0.000 1.092 187 F CA 0.311 58.306 58.000 -0.009 0.000 1.305 187 F CB 0.081 39.048 39.000 -0.056 0.000 1.054 187 F HN 0.031 nan 8.300 nan 0.000 0.565 188 G N 0.146 109.028 108.800 0.137 0.000 2.175 188 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.244 188 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.244 188 G C 0.588 175.533 174.900 0.076 0.000 0.982 188 G CA -0.280 44.877 45.100 0.095 0.000 0.641 188 G HN 0.713 nan 8.290 nan 0.000 0.527 189 G N -0.461 108.388 108.800 0.080 0.000 2.425 189 G HA2 0.501 4.461 3.960 -0.001 0.000 0.302 189 G HA3 0.501 4.461 3.960 -0.001 0.000 0.302 189 G C -0.837 174.053 174.900 -0.016 0.000 1.159 189 G CA 0.238 45.367 45.100 0.048 0.000 0.865 189 G HN 0.235 nan 8.290 nan 0.000 0.515 190 D N 1.508 121.898 120.400 -0.016 0.000 2.380 190 D HA 0.256 4.896 4.640 -0.001 0.000 0.230 190 D C -0.925 175.345 176.300 -0.051 0.000 1.154 190 D CA -2.394 51.577 54.000 -0.047 0.000 0.859 190 D CB 1.794 42.574 40.800 -0.032 0.000 1.045 190 D HN 0.066 nan 8.370 nan 0.000 0.495 191 P HA -0.131 nan 4.420 nan 0.000 0.223 191 P C 0.837 178.106 177.300 -0.052 0.000 1.144 191 P CA 0.521 63.552 63.100 -0.115 0.000 0.783 191 P CB 0.377 31.910 31.700 -0.278 0.000 0.771 192 K N -0.949 119.420 120.400 -0.052 0.000 2.404 192 K HA 0.150 4.470 4.320 -0.001 0.000 0.194 192 K C 0.830 177.422 176.600 -0.012 0.000 1.023 192 K CA 0.545 56.817 56.287 -0.025 0.000 1.094 192 K CB -0.386 32.089 32.500 -0.041 0.000 0.841 192 K HN 0.266 nan 8.250 nan 0.000 0.523 193 T N 0.752 115.302 114.554 -0.006 0.000 3.630 193 T HA 0.300 4.650 4.350 -0.001 0.000 0.238 193 T C -0.683 174.030 174.700 0.021 0.000 1.195 193 T CA -0.290 61.805 62.100 -0.008 0.000 1.433 193 T CB 0.620 69.471 68.868 -0.028 0.000 0.940 193 T HN -0.077 nan 8.240 nan 0.000 0.641 194 V N 2.013 121.967 119.914 0.066 0.000 2.407 194 V HA 0.461 4.581 4.120 -0.001 0.000 0.278 194 V C 0.435 176.621 176.094 0.154 0.000 1.037 194 V CA -0.383 61.985 62.300 0.112 0.000 0.900 194 V CB 1.524 33.438 31.823 0.152 0.000 0.983 194 V HN 0.482 nan 8.190 nan 0.000 0.459 195 T N 6.571 121.201 114.554 0.126 0.000 2.779 195 T HA 0.571 4.921 4.350 -0.001 0.000 0.280 195 T C -0.102 174.710 174.700 0.187 0.000 0.987 195 T CA -0.177 62.012 62.100 0.147 0.000 0.966 195 T CB 0.754 69.659 68.868 0.062 0.000 0.933 195 T HN 0.620 nan 8.240 nan 0.000 0.442 196 I N 1.931 122.589 120.570 0.146 0.000 2.385 196 I HA 0.854 5.024 4.170 -0.001 0.000 0.294 196 I C -0.883 175.405 176.117 0.285 0.000 0.988 196 I CA -0.922 60.453 61.300 0.124 0.000 1.265 196 I CB 0.895 38.758 38.000 -0.229 0.000 1.388 196 I HN 0.485 nan 8.210 nan 0.000 0.480 197 F N 3.193 123.180 119.950 0.061 0.000 2.619 197 F HA 0.998 5.524 4.527 -0.001 0.000 0.308 197 F C -0.473 175.328 175.800 0.002 0.000 1.097 197 F CA -1.287 56.789 58.000 0.127 0.000 0.953 197 F CB 1.311 40.502 39.000 0.318 0.000 1.287 197 F HN 0.835 nan 8.300 nan 0.000 0.446 198 G N 1.055 109.750 108.800 -0.175 0.000 2.623 198 G HA2 0.498 4.458 3.960 -0.001 0.000 0.290 198 G HA3 0.498 4.458 3.960 -0.001 0.000 0.290 198 G C -2.508 172.198 174.900 -0.324 0.000 1.437 198 G CA -0.792 43.817 45.100 -0.818 0.000 0.798 198 G HN 0.870 nan 8.290 nan 0.000 0.488 199 E N 0.165 120.136 120.200 -0.382 0.000 2.256 199 E HA 0.646 4.996 4.350 -0.001 0.000 0.267 199 E C 0.646 177.222 176.600 -0.040 0.000 0.892 199 E CA 0.299 56.710 56.400 0.017 0.000 0.775 199 E CB 2.168 32.034 29.700 0.278 0.000 1.207 199 E HN 0.866 nan 8.360 nan 0.000 0.420 200 S N 2.235 117.974 115.700 0.065 0.000 4.059 200 S HA -0.382 4.088 4.470 -0.001 0.000 0.624 200 S C 1.426 176.126 174.600 0.167 0.000 2.019 200 S CA 1.904 60.202 58.200 0.164 0.000 4.197 200 S CB -1.597 61.612 63.200 0.015 0.000 0.215 200 S HN 0.983 nan 8.310 nan 0.000 0.609 201 A N 0.871 123.674 122.820 -0.028 0.000 2.024 201 A HA 0.101 4.421 4.320 -0.001 0.000 0.220 201 A C 2.430 179.808 177.584 -0.343 0.000 1.164 201 A CA 2.506 54.337 52.037 -0.344 0.000 0.643 201 A CB -1.559 16.719 19.000 -1.203 0.000 0.806 201 A HN 1.605 nan 8.150 nan 0.000 0.451 202 G N -0.707 107.934 108.800 -0.265 0.000 2.408 202 G HA2 0.080 4.039 3.960 -0.001 0.000 0.217 202 G HA3 0.080 4.039 3.960 -0.001 0.000 0.217 202 G C 1.461 176.207 174.900 -0.257 0.000 1.150 202 G CA 1.129 46.023 45.100 -0.343 0.000 0.776 202 G HN 0.660 nan 8.290 nan 0.000 0.542 203 G N 0.983 109.696 108.800 -0.145 0.000 2.394 203 G HA2 0.115 4.075 3.960 -0.001 0.000 0.215 203 G HA3 0.115 4.075 3.960 -0.001 0.000 0.215 203 G C 2.023 176.854 174.900 -0.115 0.000 1.165 203 G CA 1.384 46.433 45.100 -0.085 0.000 0.784 203 G HN 0.582 nan 8.290 nan 0.000 0.535 204 A N 0.827 123.607 122.820 -0.068 0.000 1.933 204 A HA 0.028 4.347 4.320 -0.001 0.000 0.218 204 A C 2.687 180.218 177.584 -0.088 0.000 1.175 204 A CA 2.192 54.157 52.037 -0.120 0.000 0.628 204 A CB -0.617 18.341 19.000 -0.070 0.000 0.814 204 A HN 0.294 nan 8.150 nan 0.000 0.444 205 S N -0.441 115.229 115.700 -0.050 0.000 2.359 205 S HA -0.154 4.316 4.470 -0.001 0.000 0.224 205 S C 1.925 176.448 174.600 -0.129 0.000 1.035 205 S CA 1.455 59.600 58.200 -0.092 0.000 1.018 205 S CB -0.545 62.564 63.200 -0.151 0.000 0.876 205 S HN 0.347 nan 8.310 nan 0.000 0.448 206 V N 1.583 121.432 119.914 -0.108 0.000 2.282 206 V HA -0.224 3.895 4.120 -0.001 0.000 0.249 206 V C 2.597 178.638 176.094 -0.088 0.000 1.057 206 V CA 2.112 64.354 62.300 -0.097 0.000 1.032 206 V CB -1.460 30.294 31.823 -0.115 0.000 0.645 206 V HN 0.614 nan 8.190 nan 0.000 0.447 207 G N -1.184 107.515 108.800 -0.170 0.000 2.432 207 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.219 207 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.219 207 G C 1.582 176.467 174.900 -0.025 0.000 1.135 207 G CA 0.995 45.962 45.100 -0.221 0.000 0.767 207 G HN 0.468 nan 8.290 nan 0.000 0.550 208 M N -0.160 119.438 119.600 -0.003 0.000 2.229 208 M HA 0.019 4.499 4.480 -0.001 0.000 0.264 208 M C 2.173 178.588 176.300 0.191 0.000 1.063 208 M CA 0.827 56.255 55.300 0.212 0.000 1.114 208 M CB -0.204 32.530 32.600 0.223 0.000 1.387 208 M HN 0.179 nan 8.290 nan 0.000 0.420 209 H N -0.318 118.876 119.070 0.206 0.000 2.502 209 H HA 0.096 4.652 4.556 -0.001 0.000 0.283 209 H C 2.055 177.595 175.328 0.354 0.000 1.015 209 H CA 1.093 57.257 56.048 0.194 0.000 1.298 209 H CB -0.053 29.706 29.762 -0.005 0.000 1.411 209 H HN 0.414 nan 8.280 nan 0.000 0.556 210 I N 0.269 121.107 120.570 0.447 0.000 2.353 210 I HA -0.205 3.965 4.170 -0.001 0.000 0.248 210 I C 2.105 178.468 176.117 0.409 0.000 1.119 210 I CA 0.704 62.316 61.300 0.520 0.000 1.417 210 I CB 0.032 38.288 38.000 0.425 0.000 1.078 210 I HN 0.108 nan 8.210 nan 0.000 0.421 211 L N -0.570 120.861 121.223 0.346 0.000 2.049 211 L HA -0.042 4.298 4.340 -0.001 0.000 0.203 211 L C 1.543 178.541 176.870 0.214 0.000 1.074 211 L CA 0.364 55.408 54.840 0.340 0.000 0.749 211 L CB -0.310 41.978 42.059 0.382 0.000 0.907 211 L HN 0.059 nan 8.230 nan 0.000 0.439 212 S N 0.182 115.934 115.700 0.086 0.000 2.509 212 S HA 0.058 4.527 4.470 -0.001 0.000 0.287 212 S C -1.497 173.001 174.600 -0.170 0.000 1.248 212 S CA -1.255 56.801 58.200 -0.239 0.000 1.089 212 S CB 0.792 63.411 63.200 -0.968 0.000 0.900 212 S HN -0.069 nan 8.310 nan 0.000 0.496 213 P HA -0.067 nan 4.420 nan 0.000 0.216 213 P C 1.430 178.651 177.300 -0.133 0.000 1.150 213 P CA 1.227 64.266 63.100 -0.101 0.000 0.843 213 P CB -0.109 31.537 31.700 -0.089 0.000 0.787 214 G N -1.585 107.083 108.800 -0.220 0.000 2.559 214 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.216 214 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.216 214 G C 1.334 176.150 174.900 -0.141 0.000 1.126 214 G CA 0.616 45.599 45.100 -0.193 0.000 0.778 214 G HN 0.242 nan 8.290 nan 0.000 0.543 215 S N -0.458 115.180 115.700 -0.103 0.000 2.539 215 S HA 0.111 4.580 4.470 -0.001 0.000 0.226 215 S C 2.159 176.846 174.600 0.146 0.000 1.054 215 S CA -0.404 57.837 58.200 0.067 0.000 0.910 215 S CB 0.209 63.577 63.200 0.280 0.000 0.818 215 S HN 0.349 nan 8.310 nan 0.000 0.490 216 R N 2.033 122.570 120.500 0.063 0.000 2.140 216 R HA -0.151 4.188 4.340 -0.001 0.000 0.250 216 R C 0.902 177.014 176.300 -0.314 0.000 1.150 216 R CA 1.805 57.843 56.100 -0.102 0.000 0.966 216 R CB -0.555 29.700 30.300 -0.075 0.000 0.869 216 R HN 0.302 nan 8.270 nan 0.000 0.445 217 D N 0.443 120.733 120.400 -0.183 0.000 2.348 217 D HA -0.038 4.602 4.640 -0.001 0.000 0.216 217 D C 1.430 177.619 176.300 -0.186 0.000 0.970 217 D CA 0.749 54.633 54.000 -0.192 0.000 0.889 217 D CB 0.028 40.738 40.800 -0.150 0.000 0.912 217 D HN 0.248 nan 8.370 nan 0.000 0.524 218 L N -0.199 120.956 121.223 -0.113 0.000 2.599 218 L HA 0.140 4.479 4.340 -0.001 0.000 0.230 218 L C -0.040 176.953 176.870 0.205 0.000 1.141 218 L CA -0.060 54.782 54.840 0.004 0.000 0.877 218 L CB -0.410 41.670 42.059 0.036 0.000 1.009 218 L HN -0.042 nan 8.230 nan 0.000 0.447 219 F N -4.352 115.604 119.950 0.010 0.000 2.741 219 F HA 0.557 5.084 4.527 -0.000 0.000 0.313 219 F C 0.374 176.199 175.800 0.041 0.000 1.153 219 F CA -1.367 56.654 58.000 0.034 0.000 0.931 219 F CB 1.172 40.191 39.000 0.031 0.000 1.335 219 F HN -0.403 nan 8.300 nan 0.000 0.460 220 R N 0.642 121.218 120.500 0.127 0.000 2.087 220 R HA 0.488 4.827 4.340 -0.001 0.000 0.213 220 R C -0.061 176.293 176.300 0.090 0.000 1.137 220 R CA 0.942 57.050 56.100 0.014 0.000 1.022 220 R CB 0.311 30.622 30.300 0.017 0.000 0.920 220 R HN 0.775 nan 8.270 nan 0.000 0.451 221 R N -1.280 119.369 120.500 0.248 0.000 2.869 221 R HA 0.757 5.097 4.340 -0.001 0.000 0.263 221 R C -1.497 175.050 176.300 0.411 0.000 1.066 221 R CA -0.721 55.537 56.100 0.263 0.000 0.960 221 R CB 2.205 32.490 30.300 -0.025 0.000 1.221 221 R HN 0.210 nan 8.270 nan 0.000 0.474 222 A N 1.212 124.270 122.820 0.398 0.000 2.515 222 A HA 0.727 5.047 4.320 -0.001 0.000 0.298 222 A C -1.217 176.486 177.584 0.198 0.000 1.059 222 A CA -0.635 51.562 52.037 0.268 0.000 0.698 222 A CB 1.373 20.490 19.000 0.195 0.000 1.289 222 A HN 0.566 nan 8.150 nan 0.000 0.404 223 I N 1.502 122.145 120.570 0.121 0.000 2.499 223 I HA 0.403 4.573 4.170 -0.001 0.000 0.288 223 I C -1.539 174.629 176.117 0.085 0.000 1.048 223 I CA -0.611 60.694 61.300 0.007 0.000 1.062 223 I CB 1.977 39.960 38.000 -0.027 0.000 1.238 223 I HN 0.428 nan 8.210 nan 0.000 0.426 224 L N 6.452 127.697 121.223 0.037 0.000 2.349 224 L HA 0.450 4.790 4.340 -0.001 0.000 0.278 224 L C -0.556 176.402 176.870 0.147 0.000 0.996 224 L CA -0.271 54.599 54.840 0.049 0.000 0.825 224 L CB 1.671 43.691 42.059 -0.064 0.000 1.243 224 L HN 0.488 nan 8.230 nan 0.000 0.412 225 Q N 1.827 121.767 119.800 0.233 0.000 2.348 225 Q HA 0.501 4.841 4.340 -0.001 0.000 0.265 225 Q C -0.006 176.140 176.000 0.244 0.000 0.998 225 Q CA -0.578 55.432 55.803 0.345 0.000 0.831 225 Q CB 1.544 30.588 28.738 0.510 0.000 1.251 225 Q HN 0.636 nan 8.270 nan 0.000 0.456 226 S N 1.037 116.872 115.700 0.225 0.000 3.614 226 S HA -0.158 4.312 4.470 -0.001 0.000 0.360 226 S C -0.008 174.784 174.600 0.320 0.000 1.023 226 S CA 0.589 58.953 58.200 0.274 0.000 1.114 226 S CB -1.134 62.262 63.200 0.327 0.000 0.907 226 S HN 0.979 nan 8.310 nan 0.000 0.470 227 G N -0.735 108.184 108.800 0.198 0.000 2.655 227 G HA2 0.597 4.557 3.960 -0.001 0.000 0.296 227 G HA3 0.597 4.557 3.960 -0.001 0.000 0.296 227 G C -1.269 173.605 174.900 -0.042 0.000 1.485 227 G CA 0.280 45.503 45.100 0.204 0.000 0.869 227 G HN 0.654 nan 8.290 nan 0.000 0.540 228 S N 0.914 116.504 115.700 -0.184 0.000 2.550 228 S HA 0.759 5.228 4.470 -0.001 0.000 0.270 228 S C -1.822 172.498 174.600 -0.467 0.000 1.145 228 S CA -0.845 57.105 58.200 -0.415 0.000 0.852 228 S CB 2.341 65.350 63.200 -0.318 0.000 1.119 228 S HN 0.353 nan 8.310 nan 0.000 0.465 229 P HA -0.142 nan 4.420 nan 0.000 0.217 229 P C 0.684 177.748 177.300 -0.393 0.000 1.148 229 P CA 1.377 64.240 63.100 -0.394 0.000 0.828 229 P CB -0.333 31.177 31.700 -0.318 0.000 0.783 230 N N -0.784 117.717 118.700 -0.332 0.000 2.449 230 N HA -0.031 4.709 4.740 -0.001 0.000 0.191 230 N C 0.092 175.367 175.510 -0.392 0.000 1.161 230 N CA -0.097 52.788 53.050 -0.275 0.000 0.863 230 N CB -1.345 37.098 38.487 -0.073 0.000 0.980 230 N HN 0.064 nan 8.380 nan 0.000 0.458 231 C N 2.968 121.917 119.300 -0.585 0.000 2.657 231 C HA 0.083 4.543 4.460 -0.001 0.000 0.420 231 C C -0.153 174.341 174.990 -0.826 0.000 1.323 231 C CA -0.939 57.587 59.018 -0.820 0.000 1.894 231 C CB 1.038 27.962 27.740 -1.361 0.000 2.681 231 C HN 0.362 nan 8.230 nan 0.000 0.613 232 P HA -0.118 nan 4.420 nan 0.000 0.223 232 P C 1.127 178.233 177.300 -0.323 0.000 1.144 232 P CA 1.812 64.635 63.100 -0.463 0.000 0.783 232 P CB -0.063 31.372 31.700 -0.442 0.000 0.771 233 W N -1.579 119.579 121.300 -0.237 0.000 3.107 233 W HA 0.559 5.219 4.660 -0.000 0.000 0.293 233 W C 1.237 177.798 176.519 0.070 0.000 1.239 233 W CA 0.331 57.615 57.345 -0.103 0.000 1.653 233 W CB -1.020 28.403 29.460 -0.062 0.000 1.068 233 W HN -0.123 nan 8.180 nan 0.000 0.615 234 A N 1.502 124.056 122.820 -0.443 0.000 2.167 234 A HA 0.155 4.475 4.320 -0.001 0.000 0.214 234 A C 1.027 178.443 177.584 -0.279 0.000 1.151 234 A CA 1.239 53.104 52.037 -0.287 0.000 0.735 234 A CB -0.560 18.010 19.000 -0.716 0.000 0.802 234 A HN 0.235 nan 8.150 nan 0.000 0.467 235 S N -1.935 113.596 115.700 -0.282 0.000 2.588 235 S HA 0.635 5.104 4.470 -0.001 0.000 0.269 235 S C -0.827 173.644 174.600 -0.215 0.000 1.157 235 S CA -0.099 57.925 58.200 -0.293 0.000 0.824 235 S CB 1.309 64.276 63.200 -0.388 0.000 1.126 235 S HN 1.334 nan 8.310 nan 0.000 0.464 236 V N -1.039 118.767 119.914 -0.181 0.000 3.130 236 V HA 0.943 5.063 4.120 -0.001 0.000 0.310 236 V C 0.179 176.198 176.094 -0.126 0.000 1.158 236 V CA -0.441 61.774 62.300 -0.141 0.000 1.029 236 V CB 1.158 32.910 31.823 -0.118 0.000 1.057 236 V HN 1.525 nan 8.190 nan 0.000 0.436 237 S N 0.801 116.436 115.700 -0.108 0.000 2.608 237 S HA 0.334 4.803 4.470 -0.001 0.000 0.261 237 S C 1.303 175.851 174.600 -0.087 0.000 1.314 237 S CA 0.036 58.178 58.200 -0.097 0.000 0.992 237 S CB 1.232 64.384 63.200 -0.080 0.000 0.935 237 S HN 2.120 nan 8.310 nan 0.000 0.564 238 V N -1.331 118.521 119.914 -0.104 0.000 2.626 238 V HA 0.032 4.152 4.120 -0.001 0.000 0.252 238 V C 2.521 178.593 176.094 -0.036 0.000 1.067 238 V CA 1.568 63.811 62.300 -0.095 0.000 1.081 238 V CB -2.031 29.660 31.823 -0.222 0.000 0.686 238 V HN 0.992 nan 8.190 nan 0.000 0.468 239 A N 0.790 123.587 122.820 -0.038 0.000 1.898 239 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 239 A C 2.220 179.783 177.584 -0.035 0.000 1.181 239 A CA 1.934 53.957 52.037 -0.023 0.000 0.620 239 A CB -0.619 18.366 19.000 -0.024 0.000 0.819 239 A HN 0.630 nan 8.150 nan 0.000 0.442 240 E N 0.140 120.307 120.200 -0.054 0.000 2.106 240 E HA -0.015 4.335 4.350 -0.001 0.000 0.192 240 E C 1.934 178.492 176.600 -0.069 0.000 0.984 240 E CA 1.483 57.837 56.400 -0.076 0.000 0.806 240 E CB -0.779 28.864 29.700 -0.095 0.000 0.750 240 E HN 0.384 nan 8.360 nan 0.000 0.458 241 G N 0.750 109.522 108.800 -0.046 0.000 2.421 241 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.216 241 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.216 241 G C 1.753 176.660 174.900 0.012 0.000 1.171 241 G CA 0.884 45.979 45.100 -0.010 0.000 0.775 241 G HN 0.327 nan 8.290 nan 0.000 0.543 242 R N 0.304 120.807 120.500 0.005 0.000 2.070 242 R HA -0.037 4.303 4.340 -0.001 0.000 0.233 242 R C 2.586 178.882 176.300 -0.006 0.000 1.137 242 R CA 1.572 57.677 56.100 0.008 0.000 0.945 242 R CB -0.414 29.895 30.300 0.015 0.000 0.845 242 R HN 0.312 nan 8.270 nan 0.000 0.430 243 R N 0.433 120.919 120.500 -0.023 0.000 2.103 243 R HA -0.171 4.168 4.340 -0.001 0.000 0.242 243 R C 2.187 178.465 176.300 -0.038 0.000 1.142 243 R CA 2.038 58.116 56.100 -0.036 0.000 0.960 243 R CB -0.117 30.147 30.300 -0.059 0.000 0.858 243 R HN 0.303 nan 8.270 nan 0.000 0.439 244 R N -0.450 120.022 120.500 -0.046 0.000 2.115 244 R HA -0.008 4.331 4.340 -0.001 0.000 0.226 244 R C 2.306 178.655 176.300 0.082 0.000 1.100 244 R CA 1.043 57.115 56.100 -0.047 0.000 0.980 244 R CB -0.188 30.009 30.300 -0.173 0.000 0.875 244 R HN 0.247 nan 8.270 nan 0.000 0.445 245 A N 0.780 123.659 122.820 0.098 0.000 1.898 245 A HA -0.088 4.232 4.320 -0.001 0.000 0.216 245 A C 2.316 179.903 177.584 0.006 0.000 1.181 245 A CA 1.181 53.256 52.037 0.063 0.000 0.620 245 A CB -0.438 18.547 19.000 -0.025 0.000 0.819 245 A HN 0.091 nan 8.150 nan 0.000 0.442 246 V N -0.068 119.845 119.914 -0.001 0.000 2.343 246 V HA -0.215 3.905 4.120 -0.001 0.000 0.247 246 V C 2.557 178.653 176.094 0.003 0.000 1.051 246 V CA 2.325 64.621 62.300 -0.006 0.000 1.036 246 V CB -0.723 31.095 31.823 -0.008 0.000 0.654 246 V HN 0.580 nan 8.190 nan 0.000 0.451 247 E N -0.024 120.179 120.200 0.005 0.000 2.153 247 E HA -0.183 4.167 4.350 -0.001 0.000 0.194 247 E C 1.854 178.471 176.600 0.028 0.000 0.988 247 E CA 0.835 57.238 56.400 0.005 0.000 0.811 247 E CB -0.355 29.335 29.700 -0.016 0.000 0.746 247 E HN 0.467 nan 8.360 nan 0.000 0.466 248 L N -0.530 120.727 121.223 0.056 0.000 2.027 248 L HA 0.034 4.374 4.340 -0.001 0.000 0.206 248 L C 2.125 179.013 176.870 0.030 0.000 1.074 248 L CA 2.272 57.157 54.840 0.076 0.000 0.745 248 L CB -0.987 41.142 42.059 0.118 0.000 0.898 248 L HN 0.201 nan 8.230 nan 0.000 0.433 249 G N -0.921 107.883 108.800 0.007 0.000 2.422 249 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.218 249 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.218 249 G C 1.808 176.717 174.900 0.016 0.000 1.146 249 G CA 0.791 45.893 45.100 0.004 0.000 0.769 249 G HN 0.408 nan 8.290 nan 0.000 0.547 250 R N 0.429 120.939 120.500 0.016 0.000 2.096 250 R HA -0.033 4.306 4.340 -0.001 0.000 0.235 250 R C 2.200 178.515 176.300 0.025 0.000 1.127 250 R CA 1.294 57.405 56.100 0.018 0.000 0.968 250 R CB -0.345 29.963 30.300 0.013 0.000 0.861 250 R HN 0.326 nan 8.270 nan 0.000 0.440 251 N N 0.255 118.974 118.700 0.031 0.000 2.381 251 N HA -0.110 4.630 4.740 -0.001 0.000 0.182 251 N C 0.848 176.383 175.510 0.041 0.000 1.025 251 N CA 0.854 53.928 53.050 0.040 0.000 0.888 251 N CB 0.157 38.675 38.487 0.052 0.000 0.965 251 N HN 0.271 nan 8.380 nan 0.000 0.438 252 L N 0.415 121.659 121.223 0.036 0.000 2.818 252 L HA 0.164 4.503 4.340 -0.001 0.000 0.243 252 L C 0.714 177.603 176.870 0.032 0.000 1.185 252 L CA -0.101 54.761 54.840 0.036 0.000 0.988 252 L CB -0.642 41.437 42.059 0.033 0.000 1.292 252 L HN 0.137 nan 8.230 nan 0.000 0.519 253 N N -0.657 118.060 118.700 0.030 0.000 2.714 253 N HA -0.217 4.523 4.740 -0.001 0.000 0.253 253 N C 0.131 175.659 175.510 0.030 0.000 1.024 253 N CA 0.996 54.063 53.050 0.028 0.000 0.726 253 N CB -2.561 35.943 38.487 0.029 0.000 0.908 253 N HN 0.363 nan 8.380 nan 0.000 0.542 254 c N 0.523 119.140 118.600 0.029 0.000 2.362 254 c HA 0.628 5.197 4.570 -0.001 0.000 0.363 254 c C 1.001 175.111 174.090 0.033 0.000 1.220 254 c CA -0.947 55.403 56.329 0.034 0.000 2.379 254 c CB 1.322 43.850 42.510 0.030 0.000 2.351 254 c HN 0.871 nan 8.230 nan 0.000 0.582 255 N N 1.476 120.201 118.700 0.041 0.000 2.470 255 N HA 0.156 4.896 4.740 -0.001 0.000 0.268 255 N C -0.145 175.381 175.510 0.027 0.000 1.136 255 N CA 0.184 53.254 53.050 0.033 0.000 0.961 255 N CB 0.460 38.970 38.487 0.039 0.000 1.067 255 N HN 0.615 nan 8.380 nan 0.000 0.468 256 L N 2.401 123.635 121.223 0.018 0.000 2.872 256 L HA 0.153 4.493 4.340 -0.001 0.000 0.245 256 L C 2.138 179.013 176.870 0.009 0.000 1.211 256 L CA -0.073 54.774 54.840 0.012 0.000 1.013 256 L CB -0.950 41.114 42.059 0.008 0.000 1.326 256 L HN 0.619 nan 8.230 nan 0.000 0.525 257 N N 0.883 119.590 118.700 0.010 0.000 2.120 257 N HA -0.107 4.633 4.740 -0.001 0.000 0.188 257 N C 0.994 176.507 175.510 0.005 0.000 1.024 257 N CA 1.495 54.549 53.050 0.007 0.000 0.852 257 N CB 0.040 38.530 38.487 0.006 0.000 1.003 257 N HN 0.493 nan 8.380 nan 0.000 0.424 258 S N -2.636 113.069 115.700 0.007 0.000 2.618 258 S HA 0.483 4.953 4.470 -0.001 0.000 0.277 258 S C -0.520 174.085 174.600 0.008 0.000 1.138 258 S CA -0.384 57.819 58.200 0.005 0.000 0.844 258 S CB 1.674 64.877 63.200 0.004 0.000 1.127 258 S HN 0.109 nan 8.310 nan 0.000 0.474 259 D N 1.389 121.790 120.400 0.003 0.000 2.123 259 D HA -0.087 4.553 4.640 -0.001 0.000 0.196 259 D C 1.978 178.287 176.300 0.016 0.000 0.992 259 D CA 1.676 55.676 54.000 -0.000 0.000 0.833 259 D CB -0.353 40.443 40.800 -0.006 0.000 0.954 259 D HN 0.629 nan 8.370 nan 0.000 0.455 260 E N 0.653 120.866 120.200 0.022 0.000 2.085 260 E HA -0.187 4.163 4.350 -0.001 0.000 0.194 260 E C 1.846 178.487 176.600 0.069 0.000 0.994 260 E CA 1.151 57.575 56.400 0.041 0.000 0.801 260 E CB -0.163 29.550 29.700 0.023 0.000 0.743 260 E HN 0.359 nan 8.360 nan 0.000 0.453 261 E N -0.258 119.971 120.200 0.048 0.000 2.072 261 E HA -0.096 4.253 4.350 -0.001 0.000 0.190 261 E C 2.259 178.916 176.600 0.094 0.000 0.982 261 E CA 1.171 57.610 56.400 0.066 0.000 0.803 261 E CB -0.439 29.281 29.700 0.033 0.000 0.755 261 E HN 0.374 nan 8.360 nan 0.000 0.453 262 L N 1.292 122.546 121.223 0.053 0.000 1.994 262 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 262 L C 2.209 179.101 176.870 0.038 0.000 1.071 262 L CA 1.465 56.323 54.840 0.030 0.000 0.745 262 L CB -0.582 41.472 42.059 -0.007 0.000 0.892 262 L HN 0.028 nan 8.230 nan 0.000 0.431 263 I N -0.817 119.779 120.570 0.044 0.000 2.226 263 I HA -0.328 3.841 4.170 -0.001 0.000 0.245 263 I C 2.630 178.826 176.117 0.132 0.000 1.100 263 I CA 1.551 62.898 61.300 0.079 0.000 1.374 263 I CB -0.757 37.293 38.000 0.083 0.000 1.057 263 I HN 0.486 nan 8.210 nan 0.000 0.413 264 H N 0.685 119.792 119.070 0.062 0.000 2.352 264 H HA -0.270 4.286 4.556 -0.001 0.000 0.299 264 H C 2.461 177.824 175.328 0.058 0.000 1.097 264 H CA 2.329 58.411 56.048 0.057 0.000 1.311 264 H CB -0.209 29.575 29.762 0.036 0.000 1.377 264 H HN 0.508 nan 8.280 nan 0.000 0.504 265 c N 0.892 119.512 118.600 0.032 0.000 2.432 265 c HA -0.086 4.484 4.570 -0.001 0.000 0.277 265 c C 3.095 177.170 174.090 -0.025 0.000 1.249 265 c CA 0.837 57.164 56.329 -0.003 0.000 1.725 265 c CB -1.406 41.144 42.510 0.068 0.000 2.028 265 c HN 0.582 nan 8.230 nan 0.000 0.477 266 L N 0.236 121.481 121.223 0.036 0.000 2.131 266 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 266 L C 2.958 179.892 176.870 0.107 0.000 1.092 266 L CA 1.521 56.421 54.840 0.100 0.000 0.759 266 L CB -0.671 41.483 42.059 0.157 0.000 0.903 266 L HN 0.357 nan 8.230 nan 0.000 0.435 267 R N -0.091 120.439 120.500 0.051 0.000 2.235 267 R HA -0.103 4.237 4.340 -0.001 0.000 0.213 267 R C 2.316 178.551 176.300 -0.108 0.000 1.059 267 R CA 1.128 57.193 56.100 -0.059 0.000 0.997 267 R CB -0.132 30.127 30.300 -0.069 0.000 0.884 267 R HN 0.467 nan 8.270 nan 0.000 0.462 268 E N 1.386 121.504 120.200 -0.136 0.000 2.385 268 E HA -0.000 4.349 4.350 -0.001 0.000 0.194 268 E C 0.351 176.927 176.600 -0.040 0.000 1.013 268 E CA 0.485 56.819 56.400 -0.110 0.000 0.866 268 E CB 0.057 29.670 29.700 -0.145 0.000 0.832 268 E HN 0.055 nan 8.360 nan 0.000 0.500 269 K N 1.092 121.482 120.400 -0.016 0.000 2.258 269 K HA 0.281 4.601 4.320 -0.001 0.000 0.264 269 K C -0.113 176.510 176.600 0.038 0.000 1.007 269 K CA -0.229 56.069 56.287 0.018 0.000 0.941 269 K CB 1.061 33.580 32.500 0.032 0.000 0.966 269 K HN 0.176 nan 8.250 nan 0.000 0.480 270 K N 2.157 122.589 120.400 0.053 0.000 2.202 270 K HA 0.061 4.380 4.320 -0.001 0.000 0.264 270 K C -1.580 175.100 176.600 0.132 0.000 1.010 270 K CA -1.582 54.747 56.287 0.069 0.000 0.940 270 K CB 0.290 32.823 32.500 0.054 0.000 0.983 270 K HN 0.175 nan 8.250 nan 0.000 0.475 271 P HA -0.259 nan 4.420 nan 0.000 0.215 271 P C 1.082 178.566 177.300 0.306 0.000 1.163 271 P CA 1.328 64.622 63.100 0.322 0.000 0.894 271 P CB 0.248 31.997 31.700 0.081 0.000 0.791 272 Q N 0.008 119.912 119.800 0.173 0.000 2.291 272 Q HA -0.184 4.156 4.340 -0.001 0.000 0.206 272 Q C 1.836 177.929 176.000 0.155 0.000 0.976 272 Q CA 1.588 57.486 55.803 0.159 0.000 0.875 272 Q CB -0.792 28.008 28.738 0.103 0.000 0.927 272 Q HN 0.372 nan 8.270 nan 0.000 0.450 273 E N -0.934 119.345 120.200 0.132 0.000 2.150 273 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 273 E C 1.540 178.206 176.600 0.110 0.000 0.985 273 E CA 0.785 57.249 56.400 0.106 0.000 0.814 273 E CB 0.026 29.774 29.700 0.079 0.000 0.752 273 E HN 0.240 nan 8.360 nan 0.000 0.466 274 L N 0.592 121.882 121.223 0.112 0.000 2.044 274 L HA -0.109 4.230 4.340 -0.001 0.000 0.205 274 L C 2.196 179.140 176.870 0.123 0.000 1.075 274 L CA 1.352 56.224 54.840 0.052 0.000 0.747 274 L CB -0.365 41.629 42.059 -0.109 0.000 0.903 274 L HN 0.122 nan 8.230 nan 0.000 0.435 275 I N -0.500 120.204 120.570 0.224 0.000 2.286 275 I HA -0.293 3.877 4.170 -0.001 0.000 0.248 275 I C 1.899 178.195 176.117 0.299 0.000 1.115 275 I CA 1.046 62.526 61.300 0.300 0.000 1.392 275 I CB -0.383 37.827 38.000 0.350 0.000 1.065 275 I HN 0.256 nan 8.210 nan 0.000 0.418 276 D N 0.264 120.805 120.400 0.236 0.000 2.221 276 D HA -0.123 4.517 4.640 -0.001 0.000 0.204 276 D C 1.908 178.342 176.300 0.223 0.000 0.982 276 D CA 1.561 55.696 54.000 0.225 0.000 0.857 276 D CB 0.052 40.947 40.800 0.158 0.000 0.934 276 D HN 0.394 nan 8.370 nan 0.000 0.475 277 V N -2.487 117.538 119.914 0.185 0.000 3.528 277 V HA 0.202 4.322 4.120 -0.001 0.000 0.294 277 V C 1.758 177.943 176.094 0.153 0.000 1.404 277 V CA 0.012 62.409 62.300 0.161 0.000 1.065 277 V CB 0.360 32.251 31.823 0.114 0.000 0.904 277 V HN -0.067 nan 8.190 nan 0.000 0.435 278 E N 0.968 121.256 120.200 0.148 0.000 2.108 278 E HA -0.291 4.059 4.350 -0.001 0.000 0.203 278 E C 1.561 178.066 176.600 -0.158 0.000 1.022 278 E CA 2.813 59.241 56.400 0.047 0.000 0.823 278 E CB -0.264 29.404 29.700 -0.054 0.000 0.744 278 E HN 0.802 nan 8.360 nan 0.000 0.456 279 W N 0.772 122.088 121.300 0.027 0.000 2.699 279 W HA 0.008 4.668 4.660 -0.000 0.000 0.249 279 W C 1.661 178.149 176.519 -0.052 0.000 1.280 279 W CA 0.192 57.501 57.345 -0.060 0.000 1.345 279 W CB -0.070 29.327 29.460 -0.106 0.000 1.128 279 W HN 0.111 nan 8.180 nan 0.000 0.642 280 N N 0.169 118.952 118.700 0.139 0.000 2.550 280 N HA -0.094 4.646 4.740 -0.001 0.000 0.186 280 N C 1.696 177.212 175.510 0.010 0.000 1.110 280 N CA 1.365 54.463 53.050 0.080 0.000 0.912 280 N CB -0.442 38.093 38.487 0.080 0.000 0.968 280 N HN 0.269 nan 8.380 nan 0.000 0.448 281 V N -2.344 117.541 119.914 -0.049 0.000 3.647 281 V HA 0.252 4.371 4.120 -0.001 0.000 0.279 281 V C 0.774 176.765 176.094 -0.173 0.000 1.314 281 V CA -0.133 62.101 62.300 -0.111 0.000 1.125 281 V CB -0.587 31.151 31.823 -0.142 0.000 0.907 281 V HN -0.029 nan 8.190 nan 0.000 0.434 282 L N 2.297 123.429 121.223 -0.151 0.000 2.514 282 L HA 0.173 4.513 4.340 -0.001 0.000 0.280 282 L C -0.321 176.417 176.870 -0.220 0.000 1.223 282 L CA -0.683 54.054 54.840 -0.172 0.000 0.864 282 L CB 0.446 42.463 42.059 -0.069 0.000 1.118 282 L HN 0.174 nan 8.230 nan 0.000 0.494 283 P HA -0.010 nan 4.420 nan 0.000 0.224 283 P C -0.213 176.694 177.300 -0.654 0.000 1.157 283 P CA 1.023 63.749 63.100 -0.623 0.000 0.799 283 P CB 0.333 31.454 31.700 -0.965 0.000 0.809 284 F N -0.411 119.527 119.950 -0.020 0.000 2.631 284 F HA 0.411 4.938 4.527 -0.001 0.000 0.328 284 F C 0.412 176.205 175.800 -0.011 0.000 1.067 284 F CA -1.761 56.232 58.000 -0.011 0.000 0.969 284 F CB 0.052 39.049 39.000 -0.005 0.000 1.332 284 F HN -0.360 nan 8.300 nan 0.000 0.490 285 D N 1.203 121.733 120.400 0.216 0.000 2.338 285 D HA 0.399 5.038 4.640 -0.001 0.000 0.255 285 D C -0.579 175.778 176.300 0.095 0.000 1.237 285 D CA 0.422 54.485 54.000 0.104 0.000 0.883 285 D CB 0.370 41.211 40.800 0.068 0.000 1.087 285 D HN 0.636 nan 8.370 nan 0.000 0.485 286 S N 2.794 118.534 115.700 0.067 0.000 2.656 286 S HA 0.754 5.224 4.470 -0.001 0.000 0.273 286 S C -0.392 174.203 174.600 -0.009 0.000 1.168 286 S CA -0.983 57.241 58.200 0.040 0.000 0.817 286 S CB 0.836 64.090 63.200 0.089 0.000 1.146 286 S HN 0.449 nan 8.310 nan 0.000 0.475 287 I N -3.139 117.414 120.570 -0.028 0.000 2.934 287 I HA 0.788 4.958 4.170 -0.001 0.000 0.306 287 I C -0.440 175.638 176.117 -0.064 0.000 1.110 287 I CA -1.129 60.139 61.300 -0.053 0.000 1.019 287 I CB 1.438 39.414 38.000 -0.041 0.000 1.227 287 I HN 0.778 nan 8.210 nan 0.000 0.434 288 F N 1.893 121.625 119.950 -0.364 0.000 3.080 288 F HA -0.169 4.357 4.527 -0.001 0.000 0.292 288 F C -0.459 174.804 175.800 -0.894 0.000 0.891 288 F CA 0.537 58.090 58.000 -0.744 0.000 1.086 288 F CB -0.652 37.825 39.000 -0.872 0.000 1.095 288 F HN 0.627 nan 8.300 nan 0.000 0.633 289 R N 0.485 120.564 120.500 -0.701 0.000 2.621 289 R HA 0.632 4.971 4.340 -0.001 0.000 0.284 289 R C -1.015 174.873 176.300 -0.687 0.000 0.998 289 R CA -0.550 55.192 56.100 -0.596 0.000 0.895 289 R CB 1.333 31.534 30.300 -0.165 0.000 1.195 289 R HN -0.017 nan 8.270 nan 0.000 0.450 290 F N -0.630 119.391 119.950 0.118 0.000 2.551 290 F HA 0.374 4.901 4.527 -0.001 0.000 0.316 290 F C 1.554 177.222 175.800 -0.220 0.000 1.089 290 F CA -0.873 57.097 58.000 -0.051 0.000 0.915 290 F CB 1.739 40.832 39.000 0.154 0.000 1.186 290 F HN 0.355 nan 8.300 nan 0.000 0.456 291 S N 0.717 116.210 115.700 -0.346 0.000 2.348 291 S HA -0.064 4.406 4.470 -0.001 0.000 0.221 291 S C 0.094 174.177 174.600 -0.862 0.000 1.033 291 S CA 1.250 59.030 58.200 -0.700 0.000 1.010 291 S CB -0.268 62.322 63.200 -1.015 0.000 0.891 291 S HN 0.349 nan 8.310 nan 0.000 0.442 292 F N 1.770 121.723 119.950 0.005 0.000 2.347 292 F HA 0.568 5.094 4.527 -0.001 0.000 0.366 292 F C 0.079 175.888 175.800 0.015 0.000 1.107 292 F CA -1.036 57.005 58.000 0.069 0.000 1.058 292 F CB 1.056 40.142 39.000 0.143 0.000 1.236 292 F HN -0.076 nan 8.300 nan 0.000 0.456 293 V N 0.845 120.730 119.914 -0.048 0.000 3.167 293 V HA 0.764 4.884 4.120 -0.001 0.000 0.310 293 V C -2.900 172.894 176.094 -0.500 0.000 1.207 293 V CA -3.304 58.664 62.300 -0.553 0.000 1.059 293 V CB 1.956 33.611 31.823 -0.279 0.000 1.079 293 V HN 0.268 nan 8.190 nan 0.000 0.446 294 P HA 0.222 nan 4.420 nan 0.000 0.267 294 P C -0.883 176.337 177.300 -0.133 0.000 1.201 294 P CA 0.305 63.226 63.100 -0.298 0.000 0.775 294 P CB 0.629 32.097 31.700 -0.386 0.000 0.854 295 V N 4.005 123.929 119.914 0.016 0.000 2.680 295 V HA 0.345 4.465 4.120 -0.001 0.000 0.309 295 V C -0.527 175.619 176.094 0.086 0.000 1.052 295 V CA -0.992 61.307 62.300 -0.001 0.000 0.908 295 V CB 1.442 33.273 31.823 0.013 0.000 1.001 295 V HN 0.229 nan 8.190 nan 0.000 0.431 296 I N 6.864 127.420 120.570 -0.023 0.000 2.357 296 I HA 0.218 4.387 4.170 -0.001 0.000 0.300 296 I C 0.934 177.056 176.117 0.009 0.000 1.159 296 I CA 0.186 61.499 61.300 0.022 0.000 1.339 296 I CB -0.039 37.895 38.000 -0.110 0.000 1.458 296 I HN 0.833 nan 8.210 nan 0.000 0.577 297 D N 3.303 123.765 120.400 0.103 0.000 2.354 297 D HA 0.052 4.692 4.640 -0.001 0.000 0.209 297 D C 1.429 177.742 176.300 0.021 0.000 1.015 297 D CA 0.824 54.796 54.000 -0.047 0.000 0.867 297 D CB 0.456 41.307 40.800 0.084 0.000 0.933 297 D HN 0.633 nan 8.370 nan 0.000 0.520 298 G N -0.512 108.353 108.800 0.109 0.000 2.176 298 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.253 298 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.253 298 G C 0.938 175.910 174.900 0.119 0.000 0.979 298 G CA 0.654 45.819 45.100 0.108 0.000 0.641 298 G HN 0.400 nan 8.290 nan 0.000 0.530 299 E N -1.101 119.181 120.200 0.137 0.000 2.357 299 E HA 0.415 4.765 4.350 -0.001 0.000 0.190 299 E C 1.744 178.377 176.600 0.055 0.000 1.022 299 E CA 0.370 56.829 56.400 0.099 0.000 1.068 299 E CB -0.726 29.047 29.700 0.121 0.000 1.465 299 E HN 0.481 nan 8.360 nan 0.000 0.503 300 F N 0.818 120.694 119.950 -0.124 0.000 2.126 300 F HA 0.070 4.597 4.527 -0.000 0.000 0.299 300 F C 0.284 175.807 175.800 -0.461 0.000 1.096 300 F CA 1.085 58.880 58.000 -0.342 0.000 1.255 300 F CB 0.091 38.782 39.000 -0.514 0.000 0.997 300 F HN 0.050 nan 8.300 nan 0.000 0.479 301 F N 0.796 120.912 119.950 0.278 0.000 2.347 301 F HA 0.360 4.887 4.527 -0.001 0.000 0.366 301 F C -1.643 174.205 175.800 0.079 0.000 1.107 301 F CA -2.940 55.156 58.000 0.161 0.000 1.058 301 F CB 0.631 39.715 39.000 0.140 0.000 1.236 301 F HN -0.237 nan 8.300 nan 0.000 0.456 302 P HA -0.086 nan 4.420 nan 0.000 0.215 302 P C 0.408 177.770 177.300 0.104 0.000 1.153 302 P CA 1.624 64.789 63.100 0.108 0.000 0.853 302 P CB 0.198 31.936 31.700 0.065 0.000 0.788 303 T N -6.131 108.492 114.554 0.115 0.000 2.654 303 T HA 0.469 4.819 4.350 -0.001 0.000 0.289 303 T C -0.268 174.470 174.700 0.063 0.000 1.062 303 T CA -0.697 61.447 62.100 0.073 0.000 1.041 303 T CB 0.714 69.611 68.868 0.048 0.000 1.417 303 T HN -0.016 nan 8.240 nan 0.000 0.510 304 S N 0.089 115.802 115.700 0.021 0.000 2.563 304 S HA 0.140 4.610 4.470 -0.001 0.000 0.284 304 S C 1.510 176.104 174.600 -0.010 0.000 1.331 304 S CA -0.683 57.506 58.200 -0.018 0.000 1.047 304 S CB -0.398 62.788 63.200 -0.023 0.000 0.859 304 S HN 0.659 nan 8.310 nan 0.000 0.514 305 L N 0.613 121.791 121.223 -0.076 0.000 2.042 305 L HA -0.123 4.217 4.340 -0.001 0.000 0.210 305 L C 2.924 179.818 176.870 0.039 0.000 1.076 305 L CA 1.996 56.806 54.840 -0.050 0.000 0.749 305 L CB -0.784 41.181 42.059 -0.157 0.000 0.893 305 L HN 0.814 nan 8.230 nan 0.000 0.432 306 E N 0.651 120.871 120.200 0.033 0.000 2.077 306 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 306 E C 2.247 178.903 176.600 0.095 0.000 0.989 306 E CA 1.668 58.122 56.400 0.090 0.000 0.800 306 E CB -0.065 29.676 29.700 0.068 0.000 0.746 306 E HN 0.481 nan 8.360 nan 0.000 0.452 307 S N -0.613 115.125 115.700 0.063 0.000 2.406 307 S HA -0.113 4.357 4.470 -0.001 0.000 0.228 307 S C 2.096 176.737 174.600 0.069 0.000 1.020 307 S CA 1.043 59.278 58.200 0.059 0.000 0.965 307 S CB -0.310 62.912 63.200 0.037 0.000 0.798 307 S HN 0.241 nan 8.310 nan 0.000 0.488 308 M N 0.951 120.607 119.600 0.093 0.000 2.132 308 M HA 0.067 4.546 4.480 -0.001 0.000 0.263 308 M C 2.135 178.563 176.300 0.214 0.000 1.065 308 M CA 1.358 56.736 55.300 0.130 0.000 1.122 308 M CB -0.596 32.113 32.600 0.181 0.000 1.365 308 M HN 0.308 nan 8.290 nan 0.000 0.411 309 L N -0.298 121.065 121.223 0.233 0.000 2.093 309 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 309 L C 1.872 178.902 176.870 0.268 0.000 1.085 309 L CA 1.388 56.406 54.840 0.297 0.000 0.755 309 L CB -0.743 41.405 42.059 0.148 0.000 0.904 309 L HN 0.397 nan 8.230 nan 0.000 0.435 310 N N -0.593 118.205 118.700 0.163 0.000 2.188 310 N HA -0.157 4.583 4.740 -0.001 0.000 0.184 310 N C 1.783 177.356 175.510 0.105 0.000 1.018 310 N CA 1.363 54.504 53.050 0.151 0.000 0.858 310 N CB 0.062 38.617 38.487 0.113 0.000 0.989 310 N HN 0.278 nan 8.380 nan 0.000 0.426 311 S N -0.795 114.891 115.700 -0.022 0.000 2.593 311 S HA 0.210 4.680 4.470 -0.001 0.000 0.217 311 S C 1.416 175.658 174.600 -0.596 0.000 0.966 311 S CA 0.289 58.396 58.200 -0.154 0.000 0.914 311 S CB 0.345 63.479 63.200 -0.110 0.000 0.776 311 S HN 0.408 nan 8.310 nan 0.000 0.523 312 G N 1.890 110.092 108.800 -0.996 0.000 2.147 312 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.244 312 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.244 312 G C -0.017 173.989 174.900 -1.490 0.000 1.005 312 G CA 0.064 43.846 45.100 -2.195 0.000 0.713 312 G HN 0.597 nan 8.290 nan 0.000 0.515 313 N N 0.662 118.931 118.700 -0.718 0.000 2.895 313 N HA 0.517 5.256 4.740 -0.001 0.000 0.277 313 N C -0.134 175.312 175.510 -0.107 0.000 1.185 313 N CA -0.138 52.699 53.050 -0.355 0.000 1.106 313 N CB -0.860 37.554 38.487 -0.121 0.000 1.422 313 N HN 0.683 nan 8.380 nan 0.000 0.521 314 F N -1.198 118.694 119.950 -0.097 0.000 2.807 314 F HA 0.416 4.943 4.527 -0.000 0.000 0.316 314 F C -0.298 175.523 175.800 0.035 0.000 1.162 314 F CA -1.443 56.573 58.000 0.027 0.000 0.910 314 F CB 0.628 39.708 39.000 0.133 0.000 1.314 314 F HN -0.169 nan 8.300 nan 0.000 0.454 315 K N 1.798 122.453 120.400 0.425 0.000 2.412 315 K HA 0.207 4.526 4.320 -0.001 0.000 0.281 315 K C -0.984 175.862 176.600 0.410 0.000 1.027 315 K CA -0.197 56.252 56.287 0.270 0.000 0.989 315 K CB 0.518 33.124 32.500 0.178 0.000 0.935 315 K HN 0.729 nan 8.250 nan 0.000 0.475 316 K N 3.070 123.591 120.400 0.202 0.000 2.263 316 K HA 0.189 4.509 4.320 -0.001 0.000 0.272 316 K C -0.251 176.479 176.600 0.216 0.000 1.033 316 K CA -0.409 56.001 56.287 0.205 0.000 0.884 316 K CB 1.829 34.355 32.500 0.042 0.000 1.107 316 K HN 0.665 nan 8.250 nan 0.000 0.460 317 T N 1.414 116.183 114.554 0.358 0.000 2.646 317 T HA 0.177 4.526 4.350 -0.001 0.000 0.297 317 T C -1.542 173.367 174.700 0.349 0.000 1.363 317 T CA -0.598 61.660 62.100 0.264 0.000 1.056 317 T CB 0.896 69.885 68.868 0.202 0.000 1.779 317 T HN 0.440 nan 8.240 nan 0.000 0.459 318 Q N 0.917 120.889 119.800 0.287 0.000 2.235 318 Q HA 0.782 5.122 4.340 -0.001 0.000 0.256 318 Q C -0.422 175.855 176.000 0.461 0.000 0.951 318 Q CA -0.517 55.508 55.803 0.371 0.000 0.890 318 Q CB 1.544 30.494 28.738 0.354 0.000 1.279 318 Q HN 0.680 nan 8.270 nan 0.000 0.444 319 I N -1.531 119.254 120.570 0.359 0.000 2.865 319 I HA 0.695 4.864 4.170 -0.001 0.000 0.302 319 I C -1.573 174.427 176.117 -0.195 0.000 1.140 319 I CA -1.376 60.002 61.300 0.131 0.000 1.021 319 I CB 1.883 39.796 38.000 -0.146 0.000 1.233 319 I HN 0.542 nan 8.210 nan 0.000 0.427 320 L N 6.636 127.520 121.223 -0.565 0.000 2.381 320 L HA 0.810 5.150 4.340 -0.001 0.000 0.274 320 L C -1.321 175.344 176.870 -0.343 0.000 0.988 320 L CA -0.529 53.876 54.840 -0.725 0.000 0.824 320 L CB 1.695 42.823 42.059 -1.552 0.000 1.263 320 L HN 0.848 nan 8.230 nan 0.000 0.410 321 L N 2.397 123.545 121.223 -0.125 0.000 2.720 321 L HA 1.101 5.441 4.340 -0.001 0.000 0.261 321 L C -0.851 175.832 176.870 -0.311 0.000 1.046 321 L CA -0.387 54.411 54.840 -0.069 0.000 0.886 321 L CB 1.880 43.888 42.059 -0.085 0.000 1.493 321 L HN 0.685 nan 8.230 nan 0.000 0.407 322 G N -0.101 108.333 108.800 -0.610 0.000 2.428 322 G HA2 0.597 4.557 3.960 -0.001 0.000 0.304 322 G HA3 0.597 4.557 3.960 -0.001 0.000 0.304 322 G C -1.531 173.051 174.900 -0.530 0.000 1.303 322 G CA 0.016 44.404 45.100 -1.186 0.000 0.825 322 G HN 1.571 nan 8.290 nan 0.000 0.484 323 V N -2.611 117.146 119.914 -0.262 0.000 3.181 323 V HA 0.859 4.979 4.120 -0.001 0.000 0.308 323 V C -1.136 175.079 176.094 0.201 0.000 1.214 323 V CA -1.416 60.947 62.300 0.104 0.000 1.053 323 V CB 1.875 33.783 31.823 0.141 0.000 1.069 323 V HN 0.711 nan 8.190 nan 0.000 0.441 324 N N 0.862 119.691 118.700 0.215 0.000 2.472 324 N HA 0.437 5.176 4.740 -0.001 0.000 0.289 324 N C 0.522 176.005 175.510 -0.044 0.000 1.156 324 N CA -0.551 52.593 53.050 0.156 0.000 0.940 324 N CB 1.787 40.467 38.487 0.321 0.000 1.200 324 N HN 0.918 nan 8.380 nan 0.000 0.511 325 K N 0.038 120.298 120.400 -0.232 0.000 2.057 325 K HA -0.057 4.263 4.320 -0.001 0.000 0.207 325 K C -0.621 176.072 176.600 0.156 0.000 1.049 325 K CA 1.212 57.443 56.287 -0.094 0.000 0.931 325 K CB 0.206 32.663 32.500 -0.072 0.000 0.714 325 K HN 0.516 nan 8.250 nan 0.000 0.440 326 D N 1.318 121.810 120.400 0.153 0.000 2.863 326 D HA 0.035 4.674 4.640 -0.001 0.000 0.323 326 D C 0.202 176.634 176.300 0.219 0.000 1.286 326 D CA -0.081 54.032 54.000 0.187 0.000 0.921 326 D CB 1.225 42.118 40.800 0.156 0.000 1.024 326 D HN 0.160 nan 8.370 nan 0.000 0.505 327 E N 0.621 120.973 120.200 0.253 0.000 2.118 327 E HA -0.133 4.216 4.350 -0.001 0.000 0.195 327 E C 2.010 178.808 176.600 0.330 0.000 0.992 327 E CA 0.761 57.353 56.400 0.320 0.000 0.804 327 E CB 0.055 29.929 29.700 0.291 0.000 0.741 327 E HN 0.434 nan 8.360 nan 0.000 0.458 328 G N 1.280 110.234 108.800 0.257 0.000 2.511 328 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.217 328 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.217 328 G C 1.739 176.790 174.900 0.252 0.000 1.133 328 G CA 0.938 46.199 45.100 0.268 0.000 0.792 328 G HN 0.371 nan 8.290 nan 0.000 0.539 329 S N 1.046 116.868 115.700 0.203 0.000 2.374 329 S HA -0.252 4.218 4.470 -0.001 0.000 0.227 329 S C 2.108 176.747 174.600 0.064 0.000 1.037 329 S CA 1.465 59.757 58.200 0.153 0.000 1.024 329 S CB -0.619 62.587 63.200 0.011 0.000 0.861 329 S HN 0.362 nan 8.310 nan 0.000 0.456 330 F N 2.916 122.734 119.950 -0.220 0.000 2.065 330 F HA -0.055 4.471 4.527 -0.001 0.000 0.298 330 F C 1.705 177.234 175.800 -0.453 0.000 1.112 330 F CA 0.791 58.503 58.000 -0.480 0.000 1.212 330 F CB -1.217 37.333 39.000 -0.750 0.000 0.975 330 F HN 0.204 nan 8.300 nan 0.000 0.476 331 F N 0.341 119.977 119.950 -0.523 0.000 2.186 331 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 331 F C 2.363 177.973 175.800 -0.317 0.000 1.090 331 F CA 1.210 58.835 58.000 -0.625 0.000 1.307 331 F CB -1.107 37.534 39.000 -0.598 0.000 1.019 331 F HN -0.005 nan 8.300 nan 0.000 0.489 332 L N -0.655 120.491 121.223 -0.128 0.000 2.056 332 L HA -0.179 4.161 4.340 -0.001 0.000 0.207 332 L C 2.456 179.173 176.870 -0.255 0.000 1.078 332 L CA 0.664 55.244 54.840 -0.432 0.000 0.749 332 L CB -0.685 40.776 42.059 -0.997 0.000 0.901 332 L HN 0.171 nan 8.230 nan 0.000 0.433 333 L N -1.093 120.192 121.223 0.104 0.000 2.042 333 L HA -0.257 4.083 4.340 -0.001 0.000 0.210 333 L C 2.291 179.325 176.870 0.274 0.000 1.076 333 L CA 1.994 57.071 54.840 0.395 0.000 0.749 333 L CB -0.610 41.741 42.059 0.487 0.000 0.893 333 L HN 0.117 nan 8.230 nan 0.000 0.432 334 Y N -0.709 119.604 120.300 0.021 0.000 2.475 334 Y HA 0.218 4.768 4.550 -0.000 0.000 0.289 334 Y C 2.194 178.042 175.900 -0.087 0.000 1.121 334 Y CA 0.908 58.989 58.100 -0.030 0.000 1.257 334 Y CB -0.080 38.289 38.460 -0.151 0.000 1.026 334 Y HN 0.288 nan 8.280 nan 0.000 0.555 335 G N -1.657 107.167 108.800 0.040 0.000 4.008 335 G HA2 0.496 4.455 3.960 -0.001 0.000 0.278 335 G HA3 0.496 4.455 3.960 -0.001 0.000 0.278 335 G C -0.402 174.498 174.900 -0.000 0.000 1.021 335 G CA 0.350 45.443 45.100 -0.012 0.000 0.833 335 G HN 0.248 nan 8.290 nan 0.000 0.454 336 A N 1.520 124.357 122.820 0.029 0.000 2.342 336 A HA 0.852 5.172 4.320 -0.001 0.000 0.323 336 A C -2.645 175.082 177.584 0.237 0.000 1.125 336 A CA -1.605 50.489 52.037 0.094 0.000 0.785 336 A CB 1.728 20.746 19.000 0.031 0.000 1.221 336 A HN 0.042 nan 8.150 nan 0.000 0.463 337 P HA 0.258 nan 4.420 nan 0.000 0.268 337 P C 0.874 178.245 177.300 0.117 0.000 1.204 337 P CA 1.551 64.724 63.100 0.122 0.000 0.768 337 P CB 1.063 32.800 31.700 0.062 0.000 0.842 338 G N 1.637 110.453 108.800 0.027 0.000 2.213 338 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.236 338 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.236 338 G C -0.255 174.461 174.900 -0.306 0.000 0.991 338 G CA -0.481 44.526 45.100 -0.154 0.000 0.629 338 G HN 0.434 nan 8.290 nan 0.000 0.517 339 F N 2.079 121.975 119.950 -0.090 0.000 2.408 339 F HA 0.733 5.260 4.527 -0.001 0.000 0.344 339 F C 0.650 176.465 175.800 0.027 0.000 1.112 339 F CA -0.368 57.552 58.000 -0.134 0.000 1.096 339 F CB 2.209 41.173 39.000 -0.059 0.000 1.129 339 F HN 0.037 nan 8.300 nan 0.000 0.486 340 S N 1.817 117.654 115.700 0.227 0.000 2.564 340 S HA 0.281 4.750 4.470 -0.001 0.000 0.274 340 S C 0.623 175.473 174.600 0.417 0.000 1.124 340 S CA -1.112 57.251 58.200 0.272 0.000 0.869 340 S CB 2.280 65.558 63.200 0.129 0.000 1.105 340 S HN 0.710 nan 8.310 nan 0.000 0.472 341 K N 0.683 121.262 120.400 0.297 0.000 2.097 341 K HA -0.070 4.250 4.320 -0.001 0.000 0.205 341 K C -0.051 176.622 176.600 0.122 0.000 1.050 341 K CA 1.458 57.838 56.287 0.155 0.000 0.938 341 K CB 0.027 32.335 32.500 -0.320 0.000 0.718 341 K HN 0.469 nan 8.250 nan 0.000 0.442 342 D N 0.352 120.800 120.400 0.079 0.000 2.342 342 D HA 0.019 4.659 4.640 -0.001 0.000 0.221 342 D C -0.028 176.324 176.300 0.087 0.000 1.101 342 D CA 0.137 54.166 54.000 0.049 0.000 0.837 342 D CB 0.759 41.553 40.800 -0.011 0.000 0.938 342 D HN 0.178 nan 8.370 nan 0.000 0.508 343 S N -1.131 114.652 115.700 0.137 0.000 2.667 343 S HA 0.326 4.796 4.470 -0.001 0.000 0.292 343 S C 0.732 175.397 174.600 0.110 0.000 1.126 343 S CA -0.714 57.532 58.200 0.077 0.000 0.881 343 S CB 2.417 65.618 63.200 0.001 0.000 1.132 343 S HN -0.148 nan 8.310 nan 0.000 0.492 344 E N 0.732 120.950 120.200 0.029 0.000 2.472 344 E HA 0.034 4.384 4.350 -0.001 0.000 0.200 344 E C -0.328 176.067 176.600 -0.341 0.000 1.046 344 E CA 0.514 56.916 56.400 0.004 0.000 0.871 344 E CB -0.249 29.454 29.700 0.005 0.000 0.806 344 E HN 0.725 nan 8.360 nan 0.000 0.533 345 S N 1.053 116.498 115.700 -0.424 0.000 3.631 345 S HA -0.181 4.289 4.470 -0.001 0.000 0.366 345 S C -0.254 173.977 174.600 -0.615 0.000 0.993 345 S CA 0.656 58.452 58.200 -0.673 0.000 1.167 345 S CB -1.171 61.266 63.200 -1.272 0.000 0.909 345 S HN 0.282 nan 8.310 nan 0.000 0.478 346 K N 0.897 121.080 120.400 -0.363 0.000 2.368 346 K HA 0.266 4.586 4.320 -0.001 0.000 0.282 346 K C 0.376 176.785 176.600 -0.319 0.000 1.035 346 K CA -0.082 56.038 56.287 -0.278 0.000 0.973 346 K CB 0.388 32.789 32.500 -0.164 0.000 0.957 346 K HN 0.224 nan 8.250 nan 0.000 0.474 347 I N 2.746 123.138 120.570 -0.298 0.000 2.336 347 I HA 0.047 4.217 4.170 -0.001 0.000 0.292 347 I C 0.960 177.001 176.117 -0.126 0.000 0.991 347 I CA -0.286 60.855 61.300 -0.264 0.000 1.227 347 I CB 1.152 38.990 38.000 -0.269 0.000 1.366 347 I HN 0.687 nan 8.210 nan 0.000 0.466 348 S N 6.036 121.676 115.700 -0.099 0.000 2.600 348 S HA 0.201 4.671 4.470 -0.001 0.000 0.265 348 S C 1.134 175.736 174.600 0.002 0.000 1.325 348 S CA -0.329 57.839 58.200 -0.053 0.000 1.002 348 S CB 1.391 64.566 63.200 -0.042 0.000 0.921 348 S HN 0.621 nan 8.310 nan 0.000 0.554 349 R N 0.642 121.140 120.500 -0.002 0.000 2.120 349 R HA -0.033 4.307 4.340 -0.001 0.000 0.234 349 R C 2.553 178.921 176.300 0.114 0.000 1.123 349 R CA 1.768 57.889 56.100 0.035 0.000 0.975 349 R CB -0.969 29.332 30.300 0.001 0.000 0.866 349 R HN 0.826 nan 8.270 nan 0.000 0.446 350 E N 0.104 120.344 120.200 0.068 0.000 2.072 350 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 350 E C 1.135 177.779 176.600 0.074 0.000 0.985 350 E CA 1.673 58.113 56.400 0.066 0.000 0.801 350 E CB -0.328 29.393 29.700 0.034 0.000 0.750 350 E HN 0.487 nan 8.360 nan 0.000 0.452 351 D N -0.852 119.583 120.400 0.059 0.000 2.224 351 D HA 0.003 4.642 4.640 -0.001 0.000 0.205 351 D C 1.592 177.952 176.300 0.099 0.000 0.965 351 D CA 0.787 54.818 54.000 0.051 0.000 0.852 351 D CB -0.475 40.319 40.800 -0.011 0.000 0.947 351 D HN 0.411 nan 8.370 nan 0.000 0.494 352 F N 1.239 121.185 119.950 -0.006 0.000 2.075 352 F HA -0.168 4.358 4.527 -0.001 0.000 0.297 352 F C 2.287 178.107 175.800 0.033 0.000 1.113 352 F CA 1.394 59.405 58.000 0.017 0.000 1.218 352 F CB -0.213 38.778 39.000 -0.016 0.000 0.984 352 F HN -0.170 nan 8.300 nan 0.000 0.472 353 M N -0.653 119.049 119.600 0.171 0.000 2.108 353 M HA -0.236 4.243 4.480 -0.001 0.000 0.261 353 M C 2.337 178.626 176.300 -0.019 0.000 1.066 353 M CA 1.840 57.185 55.300 0.076 0.000 1.107 353 M CB -0.741 31.939 32.600 0.134 0.000 1.356 353 M HN 0.087 nan 8.290 nan 0.000 0.406 354 S N 0.489 116.192 115.700 0.005 0.000 2.368 354 S HA -0.101 4.368 4.470 -0.001 0.000 0.225 354 S C 1.994 176.570 174.600 -0.041 0.000 1.030 354 S CA 1.464 59.660 58.200 -0.006 0.000 0.999 354 S CB -0.745 62.467 63.200 0.020 0.000 0.844 354 S HN 0.698 nan 8.310 nan 0.000 0.459 355 G N 1.126 109.887 108.800 -0.064 0.000 2.418 355 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.217 355 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.217 355 G C 1.461 176.252 174.900 -0.181 0.000 1.158 355 G CA 1.010 46.053 45.100 -0.095 0.000 0.771 355 G HN 0.423 nan 8.290 nan 0.000 0.545 356 V N 1.028 120.770 119.914 -0.287 0.000 2.332 356 V HA -0.175 3.945 4.120 -0.001 0.000 0.248 356 V C 2.722 178.731 176.094 -0.143 0.000 1.055 356 V CA 2.303 64.454 62.300 -0.249 0.000 1.038 356 V CB -0.376 31.299 31.823 -0.248 0.000 0.651 356 V HN 0.371 nan 8.190 nan 0.000 0.450 357 K N 0.535 120.867 120.400 -0.112 0.000 2.063 357 K HA -0.126 4.194 4.320 -0.001 0.000 0.208 357 K C 1.870 178.416 176.600 -0.089 0.000 1.048 357 K CA 1.736 57.968 56.287 -0.092 0.000 0.928 357 K CB -0.635 31.829 32.500 -0.060 0.000 0.713 357 K HN 0.433 nan 8.250 nan 0.000 0.442 358 L N 0.135 121.315 121.223 -0.071 0.000 2.141 358 L HA -0.100 4.240 4.340 -0.001 0.000 0.209 358 L C 2.116 178.949 176.870 -0.061 0.000 1.094 358 L CA 1.194 56.004 54.840 -0.051 0.000 0.763 358 L CB -0.286 41.749 42.059 -0.039 0.000 0.908 358 L HN 0.121 nan 8.230 nan 0.000 0.437 359 S N -0.897 114.749 115.700 -0.089 0.000 2.406 359 S HA -0.007 4.463 4.470 -0.001 0.000 0.228 359 S C 0.970 175.503 174.600 -0.113 0.000 1.020 359 S CA 0.514 58.658 58.200 -0.093 0.000 0.965 359 S CB 0.229 63.356 63.200 -0.123 0.000 0.798 359 S HN 0.165 nan 8.310 nan 0.000 0.488 360 V N 3.071 122.893 119.914 -0.153 0.000 2.361 360 V HA 0.210 4.329 4.120 -0.001 0.000 0.252 360 V C -1.742 174.186 176.094 -0.277 0.000 0.986 360 V CA -1.409 60.735 62.300 -0.259 0.000 1.033 360 V CB 0.701 32.355 31.823 -0.282 0.000 1.282 360 V HN 0.178 nan 8.190 nan 0.000 0.514 361 P HA -0.210 nan 4.420 nan 0.000 0.218 361 P C 1.114 178.035 177.300 -0.632 0.000 1.146 361 P CA 1.632 64.563 63.100 -0.280 0.000 0.813 361 P CB 0.002 31.669 31.700 -0.054 0.000 0.778 362 H N -1.095 117.674 119.070 -0.501 0.000 2.533 362 H HA 0.495 5.051 4.556 -0.001 0.000 0.271 362 H C 0.293 175.440 175.328 -0.302 0.000 1.000 362 H CA -0.233 55.519 56.048 -0.493 0.000 1.149 362 H CB -0.447 29.191 29.762 -0.206 0.000 1.375 362 H HN -0.016 nan 8.280 nan 0.000 0.582 363 A N 2.109 124.603 122.820 -0.544 0.000 2.306 363 A HA 0.330 4.650 4.320 -0.001 0.000 0.314 363 A C 0.227 177.670 177.584 -0.234 0.000 1.164 363 A CA -0.672 51.135 52.037 -0.383 0.000 0.822 363 A CB 0.724 19.500 19.000 -0.373 0.000 1.130 363 A HN 0.628 nan 8.150 nan 0.000 0.496 364 N N 0.703 119.304 118.700 -0.164 0.000 2.379 364 N HA 0.118 4.857 4.740 -0.001 0.000 0.260 364 N C 0.320 175.778 175.510 -0.087 0.000 1.254 364 N CA 0.101 53.086 53.050 -0.109 0.000 0.958 364 N CB -0.173 38.265 38.487 -0.080 0.000 1.208 364 N HN 0.350 nan 8.380 nan 0.000 0.532 365 D N -1.047 119.319 120.400 -0.056 0.000 2.149 365 D HA -0.140 4.499 4.640 -0.001 0.000 0.198 365 D C 1.808 178.098 176.300 -0.017 0.000 0.990 365 D CA 1.103 55.084 54.000 -0.032 0.000 0.839 365 D CB -0.254 40.535 40.800 -0.018 0.000 0.948 365 D HN 0.510 nan 8.370 nan 0.000 0.460 366 L N 0.810 122.018 121.223 -0.024 0.000 2.093 366 L HA 0.114 4.454 4.340 -0.001 0.000 0.208 366 L C 2.551 179.419 176.870 -0.002 0.000 1.085 366 L CA 2.126 56.962 54.840 -0.007 0.000 0.755 366 L CB -1.040 41.007 42.059 -0.020 0.000 0.904 366 L HN 0.174 nan 8.230 nan 0.000 0.435 367 G N -0.431 108.340 108.800 -0.048 0.000 2.418 367 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.217 367 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.217 367 G C 1.580 176.474 174.900 -0.010 0.000 1.158 367 G CA 1.031 46.093 45.100 -0.064 0.000 0.771 367 G HN 0.430 nan 8.290 nan 0.000 0.545 368 L N 0.467 121.675 121.223 -0.025 0.000 2.046 368 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 368 L C 2.479 179.391 176.870 0.070 0.000 1.077 368 L CA 1.171 56.013 54.840 0.004 0.000 0.747 368 L CB -0.385 41.663 42.059 -0.018 0.000 0.896 368 L HN 0.087 nan 8.230 nan 0.000 0.432 369 D N 0.208 120.654 120.400 0.077 0.000 2.144 369 D HA -0.135 4.504 4.640 -0.001 0.000 0.199 369 D C 2.246 178.636 176.300 0.151 0.000 0.984 369 D CA 1.445 55.514 54.000 0.115 0.000 0.834 369 D CB -0.027 40.824 40.800 0.085 0.000 0.955 369 D HN 0.303 nan 8.370 nan 0.000 0.465 370 A N 0.536 123.457 122.820 0.168 0.000 1.902 370 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 370 A C 2.523 180.231 177.584 0.207 0.000 1.181 370 A CA 1.210 53.407 52.037 0.267 0.000 0.623 370 A CB -0.745 18.503 19.000 0.413 0.000 0.818 370 A HN 0.143 nan 8.150 nan 0.000 0.443 371 V N -0.299 119.741 119.914 0.209 0.000 2.295 371 V HA -0.227 3.893 4.120 -0.001 0.000 0.246 371 V C 2.761 178.937 176.094 0.137 0.000 1.049 371 V CA 2.483 64.835 62.300 0.087 0.000 1.024 371 V CB -1.263 30.640 31.823 0.134 0.000 0.648 371 V HN 0.609 nan 8.190 nan 0.000 0.447 372 T N 0.632 115.303 114.554 0.196 0.000 2.684 372 T HA -0.223 4.127 4.350 -0.001 0.000 0.267 372 T C 1.901 176.766 174.700 0.276 0.000 1.036 372 T CA 2.006 64.294 62.100 0.314 0.000 1.148 372 T CB -0.399 68.668 68.868 0.332 0.000 0.863 372 T HN 0.311 nan 8.240 nan 0.000 0.436 373 L N 1.206 122.581 121.223 0.252 0.000 2.046 373 L HA -0.055 4.285 4.340 -0.001 0.000 0.208 373 L C 2.451 179.366 176.870 0.076 0.000 1.077 373 L CA 1.830 56.841 54.840 0.285 0.000 0.747 373 L CB -0.855 41.331 42.059 0.211 0.000 0.896 373 L HN 0.124 nan 8.230 nan 0.000 0.432 374 Q N -1.365 118.372 119.800 -0.106 0.000 2.170 374 Q HA -0.187 4.153 4.340 -0.001 0.000 0.203 374 Q C 1.217 176.974 176.000 -0.405 0.000 0.976 374 Q CA 1.879 57.448 55.803 -0.390 0.000 0.858 374 Q CB -0.211 27.972 28.738 -0.924 0.000 0.907 374 Q HN 0.694 nan 8.270 nan 0.000 0.433 375 Y N -1.215 119.023 120.300 -0.103 0.000 2.507 375 Y HA 0.326 4.875 4.550 -0.001 0.000 0.254 375 Y C -0.137 175.706 175.900 -0.094 0.000 1.171 375 Y CA -0.142 57.949 58.100 -0.014 0.000 1.238 375 Y CB 0.930 39.475 38.460 0.141 0.000 1.148 375 Y HN -0.178 nan 8.280 nan 0.000 0.525 376 T N 0.748 115.215 114.554 -0.146 0.000 2.795 376 T HA 0.112 4.462 4.350 -0.001 0.000 0.282 376 T C -0.828 173.520 174.700 -0.587 0.000 0.980 376 T CA -0.635 61.140 62.100 -0.542 0.000 1.012 376 T CB 1.029 69.299 68.868 -0.997 0.000 0.936 376 T HN -0.006 nan 8.240 nan 0.000 0.457 377 D N 2.021 122.111 120.400 -0.518 0.000 2.456 377 D HA 0.127 4.766 4.640 -0.001 0.000 0.219 377 D C 0.000 176.072 176.300 -0.380 0.000 1.126 377 D CA -0.841 52.964 54.000 -0.324 0.000 0.890 377 D CB 0.311 40.993 40.800 -0.196 0.000 1.025 377 D HN 0.597 nan 8.370 nan 0.000 0.511 378 W N 3.086 124.347 121.300 -0.065 0.000 2.848 378 W HA 0.057 4.716 4.660 -0.001 0.000 0.241 378 W C 1.807 178.297 176.519 -0.049 0.000 1.289 378 W CA -0.097 57.213 57.345 -0.059 0.000 1.396 378 W CB -0.079 29.352 29.460 -0.049 0.000 1.138 378 W HN 0.393 nan 8.180 nan 0.000 0.677 379 M N -0.855 118.792 119.600 0.079 0.000 2.441 379 M HA 0.057 4.537 4.480 -0.001 0.000 0.244 379 M C 0.200 176.504 176.300 0.006 0.000 1.122 379 M CA 0.998 56.328 55.300 0.051 0.000 1.041 379 M CB 0.320 32.936 32.600 0.026 0.000 1.438 379 M HN -0.215 nan 8.290 nan 0.000 0.484 380 D N 0.153 120.526 120.400 -0.045 0.000 3.404 380 D HA -0.008 4.632 4.640 -0.001 0.000 0.329 380 D C 0.356 176.571 176.300 -0.141 0.000 1.421 380 D CA 0.067 54.025 54.000 -0.071 0.000 0.742 380 D CB 0.255 41.015 40.800 -0.066 0.000 1.290 380 D HN 0.192 nan 8.370 nan 0.000 0.600 381 D N -1.777 118.526 120.400 -0.161 0.000 2.309 381 D HA -0.133 4.506 4.640 -0.001 0.000 0.212 381 D C 0.464 176.626 176.300 -0.231 0.000 0.968 381 D CA 0.290 54.114 54.000 -0.294 0.000 0.882 381 D CB -0.253 40.371 40.800 -0.295 0.000 0.918 381 D HN 0.093 nan 8.370 nan 0.000 0.503 382 N N 0.554 119.175 118.700 -0.133 0.000 2.251 382 N HA -0.022 4.717 4.740 -0.001 0.000 0.217 382 N C 0.030 175.476 175.510 -0.106 0.000 1.124 382 N CA -0.423 52.562 53.050 -0.109 0.000 0.843 382 N CB -0.307 38.144 38.487 -0.060 0.000 1.024 382 N HN 0.270 nan 8.380 nan 0.000 0.501 383 N N 0.784 119.410 118.700 -0.124 0.000 2.401 383 N HA 0.106 4.846 4.740 -0.001 0.000 0.255 383 N C 1.343 176.787 175.510 -0.109 0.000 1.110 383 N CA 0.037 53.028 53.050 -0.099 0.000 0.949 383 N CB 0.895 39.328 38.487 -0.090 0.000 1.110 383 N HN 0.326 nan 8.380 nan 0.000 0.490 384 G N 3.979 112.723 108.800 -0.094 0.000 2.448 384 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.219 384 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.219 384 G C 1.496 176.340 174.900 -0.094 0.000 1.127 384 G CA 0.436 45.473 45.100 -0.105 0.000 0.766 384 G HN 0.700 nan 8.290 nan 0.000 0.552 385 I N -0.226 120.307 120.570 -0.062 0.000 2.353 385 I HA -0.061 4.108 4.170 -0.001 0.000 0.248 385 I C 2.740 178.860 176.117 0.004 0.000 1.119 385 I CA 0.913 62.199 61.300 -0.024 0.000 1.417 385 I CB -0.103 37.897 38.000 -0.000 0.000 1.078 385 I HN 0.113 nan 8.210 nan 0.000 0.421 386 K N 0.588 120.972 120.400 -0.027 0.000 2.097 386 K HA -0.111 4.209 4.320 -0.001 0.000 0.205 386 K C 1.866 178.455 176.600 -0.019 0.000 1.050 386 K CA 1.081 57.354 56.287 -0.024 0.000 0.938 386 K CB -0.078 32.372 32.500 -0.083 0.000 0.718 386 K HN 0.247 nan 8.250 nan 0.000 0.442 387 N N 0.839 119.493 118.700 -0.077 0.000 2.084 387 N HA -0.172 4.568 4.740 -0.001 0.000 0.190 387 N C 1.702 177.354 175.510 0.236 0.000 1.030 387 N CA 0.927 53.960 53.050 -0.028 0.000 0.849 387 N CB -0.211 38.219 38.487 -0.096 0.000 1.012 387 N HN 0.153 nan 8.380 nan 0.000 0.423 388 R N 1.358 121.916 120.500 0.097 0.000 2.070 388 R HA -0.111 4.229 4.340 -0.001 0.000 0.233 388 R C 0.621 177.093 176.300 0.287 0.000 1.137 388 R CA 1.569 57.749 56.100 0.132 0.000 0.945 388 R CB -0.342 29.913 30.300 -0.074 0.000 0.845 388 R HN 0.129 nan 8.270 nan 0.000 0.430 389 D N -0.547 119.988 120.400 0.224 0.000 2.219 389 D HA -0.062 4.578 4.640 -0.001 0.000 0.205 389 D C 1.718 178.180 176.300 0.270 0.000 0.970 389 D CA 1.334 55.485 54.000 0.251 0.000 0.851 389 D CB -0.465 40.453 40.800 0.198 0.000 0.943 389 D HN 0.522 nan 8.370 nan 0.000 0.488 390 G N 0.715 109.689 108.800 0.291 0.000 2.402 390 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 390 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 390 G C 1.536 176.614 174.900 0.296 0.000 1.162 390 G CA 0.179 45.504 45.100 0.374 0.000 0.777 390 G HN 0.184 nan 8.290 nan 0.000 0.539 391 L N 1.015 122.424 121.223 0.311 0.000 2.093 391 L HA 0.019 4.359 4.340 -0.001 0.000 0.208 391 L C 2.251 179.173 176.870 0.086 0.000 1.085 391 L CA 1.770 56.675 54.840 0.109 0.000 0.755 391 L CB -0.594 41.589 42.059 0.207 0.000 0.904 391 L HN 0.162 nan 8.230 nan 0.000 0.435 392 D N -0.517 120.002 120.400 0.198 0.000 2.104 392 D HA -0.211 4.428 4.640 -0.001 0.000 0.194 392 D C 1.649 178.034 176.300 0.142 0.000 0.994 392 D CA 1.351 55.467 54.000 0.192 0.000 0.830 392 D CB 0.092 41.065 40.800 0.289 0.000 0.959 392 D HN 0.326 nan 8.370 nan 0.000 0.452 393 D N -0.092 120.408 120.400 0.166 0.000 2.144 393 D HA -0.095 4.545 4.640 -0.001 0.000 0.199 393 D C 2.355 178.666 176.300 0.018 0.000 0.984 393 D CA 0.349 54.462 54.000 0.187 0.000 0.834 393 D CB -0.200 40.824 40.800 0.373 0.000 0.955 393 D HN 0.359 nan 8.370 nan 0.000 0.465 394 I N 0.537 120.957 120.570 -0.251 0.000 2.127 394 I HA -0.261 3.909 4.170 -0.001 0.000 0.241 394 I C 2.448 178.416 176.117 -0.249 0.000 1.075 394 I CA 0.783 61.837 61.300 -0.410 0.000 1.334 394 I CB -0.199 37.545 38.000 -0.428 0.000 1.040 394 I HN -0.107 nan 8.210 nan 0.000 0.405 395 V N 0.905 120.726 119.914 -0.154 0.000 2.343 395 V HA -0.232 3.888 4.120 -0.001 0.000 0.247 395 V C 2.526 178.521 176.094 -0.165 0.000 1.051 395 V CA 2.219 64.435 62.300 -0.139 0.000 1.036 395 V CB -1.442 30.358 31.823 -0.039 0.000 0.654 395 V HN 0.600 nan 8.190 nan 0.000 0.451 396 G N -0.460 108.309 108.800 -0.051 0.000 2.402 396 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.216 396 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.216 396 G C 1.234 176.087 174.900 -0.079 0.000 1.162 396 G CA 0.927 46.026 45.100 -0.002 0.000 0.777 396 G HN 0.502 nan 8.290 nan 0.000 0.539 397 D N -0.230 120.115 120.400 -0.092 0.000 2.097 397 D HA -0.071 4.568 4.640 -0.001 0.000 0.197 397 D C 2.085 178.083 176.300 -0.504 0.000 0.984 397 D CA 1.213 55.135 54.000 -0.130 0.000 0.826 397 D CB -0.443 40.441 40.800 0.140 0.000 0.973 397 D HN 0.416 nan 8.370 nan 0.000 0.460 398 H N 0.841 119.289 119.070 -1.038 0.000 2.357 398 H HA 0.039 4.595 4.556 -0.001 0.000 0.301 398 H C 1.470 176.401 175.328 -0.660 0.000 1.082 398 H CA 1.626 56.916 56.048 -1.262 0.000 1.342 398 H CB 0.091 28.922 29.762 -1.552 0.000 1.389 398 H HN -0.016 nan 8.280 nan 0.000 0.511 399 N N -0.799 117.432 118.700 -0.782 0.000 2.405 399 N HA 0.008 4.748 4.740 -0.001 0.000 0.175 399 N C 1.112 176.370 175.510 -0.419 0.000 1.051 399 N CA 1.013 53.559 53.050 -0.840 0.000 0.899 399 N CB 1.143 38.721 38.487 -1.515 0.000 1.000 399 N HN 0.272 nan 8.380 nan 0.000 0.451 400 V N 0.380 120.144 119.914 -0.251 0.000 3.161 400 V HA 0.162 4.282 4.120 -0.001 0.000 0.221 400 V C 2.048 178.135 176.094 -0.012 0.000 1.296 400 V CA -0.028 62.257 62.300 -0.024 0.000 1.306 400 V CB 0.189 32.084 31.823 0.121 0.000 1.171 400 V HN -0.058 nan 8.190 nan 0.000 0.513 401 I N 0.606 121.180 120.570 0.005 0.000 2.113 401 I HA -0.271 3.899 4.170 -0.001 0.000 0.238 401 I C 2.554 178.689 176.117 0.030 0.000 1.070 401 I CA 1.891 63.218 61.300 0.045 0.000 1.332 401 I CB -0.508 37.555 38.000 0.105 0.000 1.044 401 I HN 0.374 nan 8.210 nan 0.000 0.402 402 c N 0.707 119.317 118.600 0.017 0.000 2.422 402 c HA -0.038 4.531 4.570 -0.001 0.000 0.279 402 c C 0.238 174.362 174.090 0.057 0.000 1.305 402 c CA 0.651 57.029 56.329 0.081 0.000 1.757 402 c CB -1.822 40.790 42.510 0.170 0.000 1.962 402 c HN 0.367 nan 8.230 nan 0.000 0.499 403 P HA -0.073 nan 4.420 nan 0.000 0.217 403 P C 1.761 179.089 177.300 0.047 0.000 1.151 403 P CA 0.991 64.066 63.100 -0.042 0.000 0.828 403 P CB -0.161 31.420 31.700 -0.197 0.000 0.788 404 L N -1.720 119.514 121.223 0.018 0.000 2.093 404 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 404 L C 2.068 178.985 176.870 0.078 0.000 1.085 404 L CA 1.626 56.494 54.840 0.046 0.000 0.755 404 L CB -0.517 41.544 42.059 0.005 0.000 0.904 404 L HN -0.102 nan 8.230 nan 0.000 0.435 405 M N -1.132 118.506 119.600 0.063 0.000 2.229 405 M HA -0.211 4.269 4.480 -0.001 0.000 0.264 405 M C 2.239 178.599 176.300 0.101 0.000 1.063 405 M CA 1.601 56.932 55.300 0.052 0.000 1.114 405 M CB -1.524 31.123 32.600 0.079 0.000 1.387 405 M HN 0.430 nan 8.290 nan 0.000 0.420 406 H N -0.150 118.957 119.070 0.062 0.000 2.326 406 H HA -0.162 4.394 4.556 -0.001 0.000 0.301 406 H C 1.840 177.210 175.328 0.070 0.000 1.081 406 H CA 1.944 58.034 56.048 0.071 0.000 1.334 406 H CB -0.333 29.469 29.762 0.066 0.000 1.385 406 H HN 0.231 nan 8.280 nan 0.000 0.504 407 F N 0.066 119.982 119.950 -0.057 0.000 2.134 407 F HA -0.164 4.363 4.527 -0.001 0.000 0.299 407 F C 2.456 178.174 175.800 -0.137 0.000 1.097 407 F CA 1.476 59.398 58.000 -0.131 0.000 1.264 407 F CB -0.870 38.061 39.000 -0.115 0.000 1.001 407 F HN 0.145 nan 8.300 nan 0.000 0.479 408 V N 1.046 120.856 119.914 -0.174 0.000 2.427 408 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 408 V C 2.153 178.082 176.094 -0.275 0.000 1.051 408 V CA 2.456 64.547 62.300 -0.348 0.000 1.048 408 V CB -0.632 30.928 31.823 -0.437 0.000 0.666 408 V HN 0.437 nan 8.190 nan 0.000 0.456 409 N N -0.129 118.489 118.700 -0.136 0.000 2.270 409 N HA -0.097 4.643 4.740 -0.001 0.000 0.181 409 N C 1.776 177.256 175.510 -0.050 0.000 1.016 409 N CA 1.038 54.103 53.050 0.025 0.000 0.870 409 N CB -0.152 38.386 38.487 0.085 0.000 0.979 409 N HN 0.440 nan 8.380 nan 0.000 0.431 410 K N 0.318 120.600 120.400 -0.196 0.000 2.103 410 K HA -0.087 4.233 4.320 -0.001 0.000 0.204 410 K C 1.862 178.439 176.600 -0.038 0.000 1.052 410 K CA 0.521 56.730 56.287 -0.130 0.000 0.945 410 K CB -0.530 31.827 32.500 -0.238 0.000 0.722 410 K HN 0.280 nan 8.250 nan 0.000 0.443 411 Y N 2.255 122.298 120.300 -0.428 0.000 2.163 411 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 411 Y C 2.207 178.102 175.900 -0.008 0.000 1.136 411 Y CA 1.780 59.632 58.100 -0.414 0.000 1.147 411 Y CB -0.338 37.565 38.460 -0.930 0.000 0.987 411 Y HN -0.007 nan 8.280 nan 0.000 0.509 412 T N -0.439 114.165 114.554 0.083 0.000 2.822 412 T HA -0.263 4.086 4.350 -0.001 0.000 0.270 412 T C 2.005 176.727 174.700 0.036 0.000 1.064 412 T CA 1.656 63.835 62.100 0.132 0.000 1.131 412 T CB -0.354 68.678 68.868 0.273 0.000 0.858 412 T HN 0.225 nan 8.240 nan 0.000 0.483 413 K N 0.378 120.776 120.400 -0.004 0.000 2.097 413 K HA 0.007 4.326 4.320 -0.001 0.000 0.206 413 K C 1.550 177.936 176.600 -0.355 0.000 1.049 413 K CA 1.009 57.183 56.287 -0.187 0.000 0.933 413 K CB -0.649 31.698 32.500 -0.254 0.000 0.717 413 K HN 0.641 nan 8.250 nan 0.000 0.442 414 F N -0.292 119.599 119.950 -0.099 0.000 2.724 414 F HA 0.416 4.942 4.527 -0.001 0.000 0.306 414 F C 1.587 177.273 175.800 -0.191 0.000 1.100 414 F CA -0.128 57.775 58.000 -0.162 0.000 1.255 414 F CB 0.073 38.909 39.000 -0.274 0.000 1.072 414 F HN 0.280 nan 8.300 nan 0.000 0.589 415 G N -0.081 108.657 108.800 -0.102 0.000 2.653 415 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.265 415 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.265 415 G C 0.388 175.338 174.900 0.082 0.000 1.237 415 G CA -0.351 44.708 45.100 -0.067 0.000 0.946 415 G HN 0.266 nan 8.290 nan 0.000 0.522 416 N N -0.520 118.278 118.700 0.165 0.000 2.204 416 N HA 0.258 4.998 4.740 -0.001 0.000 0.219 416 N C 0.305 175.899 175.510 0.140 0.000 1.151 416 N CA 0.463 53.588 53.050 0.124 0.000 0.867 416 N CB 0.396 38.950 38.487 0.113 0.000 1.043 416 N HN 0.842 nan 8.380 nan 0.000 0.516 417 G N 0.420 109.321 108.800 0.168 0.000 2.088 417 G HA2 0.036 3.996 3.960 -0.001 0.000 0.222 417 G HA3 0.036 3.996 3.960 -0.001 0.000 0.222 417 G C -1.334 173.628 174.900 0.103 0.000 1.690 417 G CA -0.707 44.459 45.100 0.110 0.000 0.923 417 G HN 0.009 nan 8.290 nan 0.000 0.730 418 T N 1.648 116.141 114.554 -0.101 0.000 2.848 418 T HA 0.671 5.020 4.350 -0.001 0.000 0.285 418 T C -1.259 173.190 174.700 -0.418 0.000 0.995 418 T CA -0.334 61.700 62.100 -0.111 0.000 0.970 418 T CB 1.281 70.159 68.868 0.016 0.000 0.976 418 T HN 0.416 nan 8.240 nan 0.000 0.441 419 Y N 2.160 122.364 120.300 -0.160 0.000 2.326 419 Y HA 0.642 5.191 4.550 -0.001 0.000 0.329 419 Y C -0.474 175.447 175.900 0.035 0.000 0.973 419 Y CA -1.141 56.801 58.100 -0.263 0.000 1.162 419 Y CB 1.458 39.315 38.460 -1.005 0.000 1.147 419 Y HN 0.443 nan 8.280 nan 0.000 0.456 420 L N 5.958 127.512 121.223 0.552 0.000 2.329 420 L HA 0.652 4.992 4.340 -0.001 0.000 0.279 420 L C -1.171 176.160 176.870 0.768 0.000 1.014 420 L CA -1.039 54.095 54.840 0.490 0.000 0.814 420 L CB 0.783 42.983 42.059 0.235 0.000 1.257 420 L HN 0.558 nan 8.230 nan 0.000 0.424 421 Y N 2.857 123.466 120.300 0.514 0.000 2.605 421 Y HA 0.749 5.298 4.550 -0.001 0.000 0.343 421 Y C -1.749 174.421 175.900 0.450 0.000 1.036 421 Y CA -1.694 56.654 58.100 0.413 0.000 1.065 421 Y CB 1.421 40.063 38.460 0.302 0.000 1.288 421 Y HN 0.530 nan 8.280 nan 0.000 0.481 422 F N 3.646 123.931 119.950 0.558 0.000 2.659 422 F HA 0.447 4.973 4.527 -0.001 0.000 0.342 422 F C -2.026 174.091 175.800 0.528 0.000 1.168 422 F CA -1.765 56.490 58.000 0.425 0.000 1.003 422 F CB 0.864 40.084 39.000 0.365 0.000 1.267 422 F HN 0.567 nan 8.300 nan 0.000 0.463 423 F N 8.088 128.128 119.950 0.149 0.000 2.390 423 F HA 0.329 4.855 4.527 -0.001 0.000 0.361 423 F C 0.104 175.777 175.800 -0.212 0.000 1.124 423 F CA -0.315 57.715 58.000 0.051 0.000 1.149 423 F CB 0.551 39.656 39.000 0.176 0.000 1.160 423 F HN 0.525 nan 8.300 nan 0.000 0.501 424 N N 3.438 121.787 118.700 -0.585 0.000 2.517 424 N HA 0.088 4.828 4.740 -0.001 0.000 0.285 424 N C -1.257 173.989 175.510 -0.441 0.000 1.528 424 N CA -0.508 52.275 53.050 -0.445 0.000 0.892 424 N CB -0.644 37.736 38.487 -0.179 0.000 1.356 424 N HN 0.618 nan 8.380 nan 0.000 0.495 425 H N 0.552 119.056 119.070 -0.944 0.000 2.488 425 H HA 0.438 4.994 4.556 -0.001 0.000 0.322 425 H C -0.461 174.684 175.328 -0.306 0.000 1.078 425 H CA -0.616 55.076 56.048 -0.594 0.000 1.260 425 H CB 1.016 30.343 29.762 -0.726 0.000 1.425 425 H HN 0.143 nan 8.280 nan 0.000 0.471 426 R N 4.162 124.216 120.500 -0.742 0.000 2.202 426 R HA 0.513 4.852 4.340 -0.001 0.000 0.334 426 R C -0.582 175.428 176.300 -0.484 0.000 1.036 426 R CA -0.634 55.223 56.100 -0.405 0.000 0.878 426 R CB 0.350 30.519 30.300 -0.217 0.000 1.067 426 R HN 0.804 nan 8.270 nan 0.000 0.457 427 A N 3.060 125.873 122.820 -0.011 0.000 2.540 427 A HA 0.009 4.329 4.320 -0.001 0.000 0.239 427 A C 1.285 178.931 177.584 0.102 0.000 1.061 427 A CA 0.473 52.677 52.037 0.280 0.000 0.758 427 A CB 0.327 19.618 19.000 0.485 0.000 0.991 427 A HN 1.020 nan 8.150 nan 0.000 0.502 428 S N 1.560 117.352 115.700 0.153 0.000 2.447 428 S HA -0.155 4.315 4.470 -0.001 0.000 0.233 428 S C 0.906 175.486 174.600 -0.033 0.000 1.006 428 S CA 1.088 59.320 58.200 0.053 0.000 0.957 428 S CB -0.406 62.848 63.200 0.090 0.000 0.773 428 S HN 0.921 nan 8.310 nan 0.000 0.507 429 N N 0.711 119.347 118.700 -0.107 0.000 2.251 429 N HA 0.236 4.976 4.740 -0.001 0.000 0.217 429 N C -0.311 175.111 175.510 -0.146 0.000 1.124 429 N CA -0.475 52.465 53.050 -0.183 0.000 0.843 429 N CB -0.582 37.686 38.487 -0.365 0.000 1.024 429 N HN 0.336 nan 8.380 nan 0.000 0.501 430 L N 1.600 122.778 121.223 -0.074 0.000 2.513 430 L HA 0.006 4.346 4.340 -0.001 0.000 0.272 430 L C 1.365 178.177 176.870 -0.096 0.000 1.187 430 L CA 0.022 54.825 54.840 -0.062 0.000 0.895 430 L CB 0.990 43.028 42.059 -0.034 0.000 1.147 430 L HN 0.204 nan 8.230 nan 0.000 0.483 431 V N 1.264 121.075 119.914 -0.172 0.000 3.406 431 V HA 0.089 4.208 4.120 -0.001 0.000 0.263 431 V C 0.555 176.568 176.094 -0.135 0.000 1.172 431 V CA -0.320 61.854 62.300 -0.210 0.000 1.140 431 V CB -1.240 30.324 31.823 -0.431 0.000 0.784 431 V HN 0.648 nan 8.190 nan 0.000 0.467 432 W N 1.929 123.204 121.300 -0.042 0.000 2.237 432 W HA 0.531 5.191 4.660 -0.000 0.000 0.335 432 W C -1.717 174.698 176.519 -0.173 0.000 1.230 432 W CA -2.263 55.025 57.345 -0.096 0.000 1.253 432 W CB 0.021 29.345 29.460 -0.226 0.000 1.129 432 W HN -0.012 nan 8.180 nan 0.000 0.590 433 P HA -0.054 nan 4.420 nan 0.000 0.268 433 P C 0.411 177.637 177.300 -0.123 0.000 1.208 433 P CA 0.230 63.303 63.100 -0.046 0.000 0.777 433 P CB 1.041 32.736 31.700 -0.007 0.000 0.875 434 E N 1.150 121.347 120.200 -0.005 0.000 2.160 434 E HA -0.151 4.199 4.350 -0.001 0.000 0.195 434 E C 1.719 178.357 176.600 0.064 0.000 0.991 434 E CA 1.829 58.243 56.400 0.024 0.000 0.810 434 E CB -0.830 28.914 29.700 0.073 0.000 0.742 434 E HN 0.788 nan 8.360 nan 0.000 0.466 435 W N -0.253 121.099 121.300 0.087 0.000 2.392 435 W HA -0.086 4.574 4.660 -0.001 0.000 0.279 435 W C 1.681 178.273 176.519 0.122 0.000 1.225 435 W CA 0.864 58.272 57.345 0.105 0.000 1.233 435 W CB -0.764 28.767 29.460 0.118 0.000 1.122 435 W HN 0.255 nan 8.180 nan 0.000 0.561 436 M N 1.312 120.586 119.600 -0.544 0.000 2.476 436 M HA 0.098 4.577 4.480 -0.001 0.000 0.262 436 M C 1.815 178.027 176.300 -0.147 0.000 1.079 436 M CA 1.705 56.677 55.300 -0.546 0.000 1.104 436 M CB -0.747 31.356 32.600 -0.829 0.000 1.409 436 M HN 0.199 nan 8.290 nan 0.000 0.467 437 G N 0.450 109.209 108.800 -0.069 0.000 2.583 437 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.292 437 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.292 437 G C -0.178 174.709 174.900 -0.021 0.000 1.203 437 G CA -0.186 44.911 45.100 -0.005 0.000 0.987 437 G HN 0.221 nan 8.290 nan 0.000 0.554 438 V N 1.960 121.893 119.914 0.031 0.000 2.304 438 V HA 0.436 4.556 4.120 -0.001 0.000 0.262 438 V C 0.995 177.185 176.094 0.161 0.000 1.061 438 V CA -0.200 62.156 62.300 0.093 0.000 0.872 438 V CB 0.322 32.185 31.823 0.067 0.000 1.077 438 V HN 0.546 nan 8.190 nan 0.000 0.480 439 I N 2.967 123.618 120.570 0.136 0.000 2.696 439 I HA 0.119 4.289 4.170 -0.001 0.000 0.284 439 I C 0.894 177.214 176.117 0.338 0.000 1.129 439 I CA -0.427 60.969 61.300 0.161 0.000 1.410 439 I CB 0.203 38.154 38.000 -0.082 0.000 1.399 439 I HN 0.569 nan 8.210 nan 0.000 0.579 440 H N 4.362 123.535 119.070 0.171 0.000 3.145 440 H HA 0.187 4.743 4.556 -0.001 0.000 0.288 440 H C 0.913 176.262 175.328 0.035 0.000 0.969 440 H CA 0.980 57.127 56.048 0.166 0.000 1.444 440 H CB 0.015 29.927 29.762 0.250 0.000 1.500 440 H HN 0.751 nan 8.280 nan 0.000 0.552 441 G N 3.702 112.399 108.800 -0.171 0.000 2.213 441 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.226 441 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.226 441 G C 0.604 175.478 174.900 -0.045 0.000 0.992 441 G CA 0.268 45.249 45.100 -0.198 0.000 0.632 441 G HN 0.613 nan 8.290 nan 0.000 0.511 442 Y N 1.608 122.020 120.300 0.185 0.000 2.471 442 Y HA 0.232 4.782 4.550 -0.001 0.000 0.286 442 Y C 2.339 178.362 175.900 0.206 0.000 1.188 442 Y CA 1.046 59.305 58.100 0.265 0.000 1.286 442 Y CB 0.436 39.078 38.460 0.302 0.000 1.072 442 Y HN 0.510 nan 8.280 nan 0.000 0.517 443 E N 0.043 120.215 120.200 -0.048 0.000 2.400 443 E HA -0.048 4.302 4.350 -0.001 0.000 0.195 443 E C 1.644 178.156 176.600 -0.146 0.000 1.012 443 E CA 0.570 56.600 56.400 -0.616 0.000 0.875 443 E CB -0.412 28.658 29.700 -1.050 0.000 0.859 443 E HN 0.519 nan 8.360 nan 0.000 0.498 444 I N 2.851 123.435 120.570 0.022 0.000 2.151 444 I HA -0.324 3.846 4.170 -0.001 0.000 0.243 444 I C 2.696 178.850 176.117 0.063 0.000 1.080 444 I CA 2.224 63.587 61.300 0.105 0.000 1.339 444 I CB -0.555 37.547 38.000 0.171 0.000 1.039 444 I HN 0.225 nan 8.210 nan 0.000 0.409 445 E N 0.955 121.139 120.200 -0.026 0.000 2.209 445 E HA -0.247 4.103 4.350 -0.001 0.000 0.196 445 E C 2.010 178.454 176.600 -0.259 0.000 0.993 445 E CA 1.574 57.886 56.400 -0.147 0.000 0.819 445 E CB -0.537 29.070 29.700 -0.155 0.000 0.745 445 E HN 0.457 nan 8.360 nan 0.000 0.477 446 F N 0.957 120.814 119.950 -0.156 0.000 2.335 446 F HA -0.004 4.523 4.527 -0.001 0.000 0.296 446 F C 2.305 177.930 175.800 -0.292 0.000 1.091 446 F CA 0.482 58.351 58.000 -0.219 0.000 1.399 446 F CB 0.037 38.953 39.000 -0.139 0.000 1.067 446 F HN -0.126 nan 8.300 nan 0.000 0.520 447 V N -1.143 118.682 119.914 -0.148 0.000 2.548 447 V HA -0.245 3.874 4.120 -0.001 0.000 0.249 447 V C 1.582 177.477 176.094 -0.333 0.000 1.055 447 V CA 1.506 63.577 62.300 -0.382 0.000 1.065 447 V CB -0.616 31.003 31.823 -0.339 0.000 0.681 447 V HN 0.193 nan 8.190 nan 0.000 0.462 448 F N 0.523 120.332 119.950 -0.235 0.000 2.732 448 F HA 0.409 4.936 4.527 -0.001 0.000 0.303 448 F C 1.829 177.534 175.800 -0.158 0.000 1.110 448 F CA 0.596 58.488 58.000 -0.181 0.000 1.355 448 F CB -0.253 38.624 39.000 -0.206 0.000 1.081 448 F HN 0.256 nan 8.300 nan 0.000 0.565 449 G N 0.207 108.915 108.800 -0.152 0.000 2.160 449 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.251 449 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.251 449 G C 1.069 175.651 174.900 -0.529 0.000 1.008 449 G CA 0.386 45.321 45.100 -0.276 0.000 0.724 449 G HN 0.326 nan 8.290 nan 0.000 0.514 450 L N 0.293 121.187 121.223 -0.548 0.000 2.187 450 L HA 0.052 4.392 4.340 -0.001 0.000 0.213 450 L C 0.319 176.766 176.870 -0.705 0.000 1.100 450 L CA 2.514 56.977 54.840 -0.628 0.000 0.765 450 L CB -0.823 40.997 42.059 -0.398 0.000 0.904 450 L HN 0.195 nan 8.230 nan 0.000 0.437 451 P HA -0.106 nan 4.420 nan 0.000 0.228 451 P C 1.458 178.502 177.300 -0.426 0.000 1.151 451 P CA 0.791 63.281 63.100 -1.018 0.000 0.770 451 P CB 0.123 31.139 31.700 -1.141 0.000 0.786 452 L N -2.002 118.977 121.223 -0.407 0.000 2.395 452 L HA -0.018 4.322 4.340 -0.001 0.000 0.218 452 L C 0.720 177.458 176.870 -0.220 0.000 1.130 452 L CA 0.830 55.515 54.840 -0.259 0.000 0.826 452 L CB -0.627 41.295 42.059 -0.228 0.000 0.941 452 L HN -0.239 nan 8.230 nan 0.000 0.451 453 V N -0.062 119.680 119.914 -0.288 0.000 2.387 453 V HA -0.004 4.115 4.120 -0.001 0.000 0.260 453 V C 1.553 177.597 176.094 -0.082 0.000 1.054 453 V CA -0.173 62.014 62.300 -0.188 0.000 0.967 453 V CB 0.586 32.266 31.823 -0.238 0.000 1.036 453 V HN 0.150 nan 8.190 nan 0.000 0.481 454 K N 3.158 123.525 120.400 -0.056 0.000 2.059 454 K HA -0.240 4.080 4.320 -0.001 0.000 0.212 454 K C 2.505 179.089 176.600 -0.026 0.000 1.050 454 K CA 1.786 58.056 56.287 -0.029 0.000 0.927 454 K CB -0.686 31.798 32.500 -0.027 0.000 0.714 454 K HN 1.012 nan 8.250 nan 0.000 0.447 455 E N 0.800 120.978 120.200 -0.036 0.000 2.333 455 E HA -0.025 4.324 4.350 -0.001 0.000 0.198 455 E C 1.843 178.409 176.600 -0.056 0.000 1.007 455 E CA 1.464 57.838 56.400 -0.043 0.000 0.845 455 E CB -0.768 28.906 29.700 -0.043 0.000 0.766 455 E HN 0.510 nan 8.360 nan 0.000 0.507 456 L N -0.250 120.949 121.223 -0.041 0.000 2.552 456 L HA 0.008 4.347 4.340 -0.001 0.000 0.227 456 L C 0.232 177.012 176.870 -0.150 0.000 1.146 456 L CA 0.393 55.197 54.840 -0.059 0.000 0.858 456 L CB -0.301 41.793 42.059 0.059 0.000 0.969 456 L HN 0.288 nan 8.230 nan 0.000 0.451 457 N N -1.547 117.103 118.700 -0.083 0.000 2.776 457 N HA -0.214 4.526 4.740 -0.001 0.000 0.249 457 N C -0.494 174.930 175.510 -0.144 0.000 1.111 457 N CA 0.793 53.775 53.050 -0.114 0.000 0.711 457 N CB -1.739 36.656 38.487 -0.153 0.000 1.065 457 N HN 0.295 nan 8.380 nan 0.000 0.556 458 Y N 0.586 120.849 120.300 -0.061 0.000 2.340 458 Y HA 0.348 4.898 4.550 -0.001 0.000 0.327 458 Y C 1.968 177.866 175.900 -0.003 0.000 1.321 458 Y CA 0.065 58.151 58.100 -0.024 0.000 1.433 458 Y CB 0.411 38.831 38.460 -0.067 0.000 1.373 458 Y HN 0.084 nan 8.280 nan 0.000 0.538 459 T N -2.193 112.487 114.554 0.211 0.000 2.824 459 T HA 0.468 4.817 4.350 -0.001 0.000 0.277 459 T C 1.129 175.886 174.700 0.095 0.000 0.975 459 T CA -0.291 61.882 62.100 0.122 0.000 0.966 459 T CB 1.116 70.055 68.868 0.118 0.000 1.054 459 T HN 0.725 nan 8.240 nan 0.000 0.533 460 A N 0.229 123.081 122.820 0.053 0.000 1.969 460 A HA -0.004 4.316 4.320 -0.001 0.000 0.218 460 A C 2.114 179.711 177.584 0.022 0.000 1.169 460 A CA 1.411 53.464 52.037 0.027 0.000 0.635 460 A CB -0.981 18.028 19.000 0.015 0.000 0.810 460 A HN 0.900 nan 8.150 nan 0.000 0.445 461 E N 0.372 120.591 120.200 0.032 0.000 2.106 461 E HA -0.127 4.222 4.350 -0.001 0.000 0.192 461 E C 1.826 178.429 176.600 0.005 0.000 0.984 461 E CA 1.376 57.781 56.400 0.008 0.000 0.806 461 E CB -0.238 29.465 29.700 0.005 0.000 0.750 461 E HN 0.754 nan 8.360 nan 0.000 0.458 462 E N 0.503 120.748 120.200 0.076 0.000 2.150 462 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 462 E C 1.975 178.630 176.600 0.091 0.000 0.985 462 E CA 0.868 57.379 56.400 0.185 0.000 0.814 462 E CB 0.018 29.958 29.700 0.400 0.000 0.752 462 E HN 0.350 nan 8.360 nan 0.000 0.466 463 E N 0.968 121.167 120.200 -0.000 0.000 2.072 463 E HA -0.151 4.199 4.350 -0.001 0.000 0.190 463 E C 2.073 178.641 176.600 -0.052 0.000 0.982 463 E CA 0.863 57.216 56.400 -0.078 0.000 0.803 463 E CB -0.028 29.631 29.700 -0.067 0.000 0.755 463 E HN 0.189 nan 8.360 nan 0.000 0.453 464 A N 1.319 124.121 122.820 -0.030 0.000 1.902 464 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 464 A C 2.163 179.721 177.584 -0.043 0.000 1.181 464 A CA 1.420 53.432 52.037 -0.041 0.000 0.623 464 A CB -0.719 18.259 19.000 -0.036 0.000 0.818 464 A HN 0.409 nan 8.150 nan 0.000 0.443 465 L N -0.157 121.054 121.223 -0.019 0.000 2.017 465 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 465 L C 2.547 179.442 176.870 0.042 0.000 1.073 465 L CA 2.700 57.529 54.840 -0.019 0.000 0.745 465 L CB -0.940 41.065 42.059 -0.089 0.000 0.894 465 L HN 0.338 nan 8.230 nan 0.000 0.432 466 S N -0.660 115.121 115.700 0.135 0.000 2.370 466 S HA -0.231 4.239 4.470 -0.001 0.000 0.226 466 S C 2.203 176.761 174.600 -0.070 0.000 1.033 466 S CA 1.494 59.732 58.200 0.063 0.000 1.011 466 S CB -0.264 62.860 63.200 -0.126 0.000 0.852 466 S HN 0.557 nan 8.310 nan 0.000 0.457 467 R N 0.200 120.651 120.500 -0.081 0.000 2.081 467 R HA 0.025 4.365 4.340 -0.001 0.000 0.235 467 R C 2.793 179.029 176.300 -0.106 0.000 1.131 467 R CA 1.457 57.502 56.100 -0.092 0.000 0.960 467 R CB -0.273 29.972 30.300 -0.092 0.000 0.856 467 R HN 0.374 nan 8.270 nan 0.000 0.436 468 R N 0.364 120.777 120.500 -0.145 0.000 2.081 468 R HA -0.080 4.260 4.340 -0.001 0.000 0.235 468 R C 2.286 178.370 176.300 -0.360 0.000 1.131 468 R CA 1.380 57.305 56.100 -0.291 0.000 0.960 468 R CB -0.238 29.893 30.300 -0.280 0.000 0.856 468 R HN 0.214 nan 8.270 nan 0.000 0.436 469 I N 0.340 120.812 120.570 -0.164 0.000 2.202 469 I HA -0.305 3.865 4.170 -0.001 0.000 0.242 469 I C 2.418 178.457 176.117 -0.129 0.000 1.091 469 I CA 1.321 62.555 61.300 -0.109 0.000 1.368 469 I CB -0.137 37.674 38.000 -0.314 0.000 1.058 469 I HN 0.223 nan 8.210 nan 0.000 0.410 470 M N -0.602 118.900 119.600 -0.164 0.000 2.149 470 M HA -0.275 4.204 4.480 -0.001 0.000 0.261 470 M C 2.366 178.704 176.300 0.062 0.000 1.064 470 M CA 1.769 57.006 55.300 -0.105 0.000 1.102 470 M CB -0.675 31.866 32.600 -0.099 0.000 1.369 470 M HN 0.292 nan 8.290 nan 0.000 0.408 471 H N -0.601 118.448 119.070 -0.035 0.000 2.403 471 H HA -0.102 4.453 4.556 -0.000 0.000 0.298 471 H C 1.508 176.938 175.328 0.170 0.000 1.059 471 H CA 1.688 57.742 56.048 0.009 0.000 1.363 471 H CB 0.058 29.774 29.762 -0.076 0.000 1.410 471 H HN 0.258 nan 8.280 nan 0.000 0.528 472 Y N -0.764 119.674 120.300 0.230 0.000 2.114 472 Y HA -0.246 4.303 4.550 -0.001 0.000 0.284 472 Y C 2.525 178.621 175.900 0.327 0.000 1.143 472 Y CA 1.131 59.417 58.100 0.311 0.000 1.135 472 Y CB -1.070 37.780 38.460 0.651 0.000 0.980 472 Y HN 0.351 nan 8.280 nan 0.000 0.499 473 W N -0.492 120.912 121.300 0.173 0.000 2.335 473 W HA -0.240 4.420 4.660 -0.000 0.000 0.311 473 W C 2.573 179.090 176.519 -0.003 0.000 1.213 473 W CA 1.108 58.487 57.345 0.057 0.000 1.274 473 W CB -0.475 28.962 29.460 -0.039 0.000 1.148 473 W HN 0.060 nan 8.180 nan 0.000 0.498 474 A N -0.205 122.717 122.820 0.169 0.000 1.930 474 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 474 A C 1.802 179.358 177.584 -0.047 0.000 1.175 474 A CA 2.053 54.101 52.037 0.017 0.000 0.627 474 A CB -1.105 17.891 19.000 -0.007 0.000 0.815 474 A HN 0.188 nan 8.150 nan 0.000 0.443 475 T N -0.843 113.644 114.554 -0.111 0.000 2.867 475 T HA -0.074 4.276 4.350 -0.001 0.000 0.268 475 T C 1.562 176.211 174.700 -0.085 0.000 1.057 475 T CA 1.398 63.403 62.100 -0.159 0.000 1.136 475 T CB -0.343 68.368 68.868 -0.263 0.000 0.874 475 T HN 0.514 nan 8.240 nan 0.000 0.466 476 F N 2.331 122.184 119.950 -0.161 0.000 2.146 476 F HA 0.095 4.621 4.527 -0.001 0.000 0.298 476 F C 2.389 178.105 175.800 -0.141 0.000 1.096 476 F CA 0.877 58.749 58.000 -0.212 0.000 1.275 476 F CB -0.619 38.198 39.000 -0.305 0.000 1.008 476 F HN 0.128 nan 8.300 nan 0.000 0.480 477 A N 0.654 123.365 122.820 -0.182 0.000 1.902 477 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 477 A C 2.325 179.764 177.584 -0.242 0.000 1.181 477 A CA 2.680 54.576 52.037 -0.235 0.000 0.623 477 A CB -1.430 17.517 19.000 -0.088 0.000 0.818 477 A HN 0.442 nan 8.150 nan 0.000 0.443 478 K N -0.846 119.451 120.400 -0.171 0.000 2.103 478 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 478 K C 1.920 178.428 176.600 -0.155 0.000 1.052 478 K CA 2.255 58.463 56.287 -0.130 0.000 0.945 478 K CB -1.201 31.248 32.500 -0.084 0.000 0.722 478 K HN 0.913 nan 8.250 nan 0.000 0.443 479 T N -6.270 108.161 114.554 -0.205 0.000 2.975 479 T HA 0.400 4.750 4.350 -0.001 0.000 0.261 479 T C 1.626 176.192 174.700 -0.223 0.000 0.984 479 T CA 1.151 63.147 62.100 -0.172 0.000 0.911 479 T CB 0.678 69.481 68.868 -0.108 0.000 1.127 479 T HN 1.380 nan 8.240 nan 0.000 0.514 480 G N 1.499 110.033 108.800 -0.445 0.000 2.157 480 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.248 480 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.248 480 G C -0.181 174.644 174.900 -0.125 0.000 0.979 480 G CA 0.027 44.857 45.100 -0.450 0.000 0.650 480 G HN 0.836 nan 8.290 nan 0.000 0.529 481 N N -0.230 118.381 118.700 -0.149 0.000 2.478 481 N HA 0.425 5.165 4.740 -0.001 0.000 0.291 481 N C -1.669 173.693 175.510 -0.247 0.000 1.090 481 N CA -1.392 51.534 53.050 -0.207 0.000 0.911 481 N CB 2.502 40.954 38.487 -0.058 0.000 1.546 481 N HN -0.051 nan 8.380 nan 0.000 0.500 482 P HA -0.036 nan 4.420 nan 0.000 0.226 482 P C -0.458 176.866 177.300 0.040 0.000 1.153 482 P CA 0.599 63.575 63.100 -0.207 0.000 0.777 482 P CB 0.389 31.770 31.700 -0.532 0.000 0.794 483 N N 1.336 120.025 118.700 -0.019 0.000 2.518 483 N HA 0.121 4.860 4.740 -0.001 0.000 0.283 483 N C -0.039 175.532 175.510 0.102 0.000 1.119 483 N CA -0.145 52.986 53.050 0.135 0.000 0.983 483 N CB 1.029 39.599 38.487 0.139 0.000 1.139 483 N HN 0.135 nan 8.380 nan 0.000 0.465 484 E N 2.204 122.492 120.200 0.147 0.000 2.052 484 E HA 0.115 4.465 4.350 -0.001 0.000 0.283 484 E C -1.444 175.218 176.600 0.103 0.000 1.071 484 E CA -1.714 54.756 56.400 0.117 0.000 0.851 484 E CB 1.046 30.843 29.700 0.161 0.000 1.066 484 E HN 0.328 nan 8.360 nan 0.000 0.396 485 P HA -0.287 nan 4.420 nan 0.000 0.219 485 P C 1.144 178.486 177.300 0.069 0.000 1.159 485 P CA 2.241 65.383 63.100 0.071 0.000 0.944 485 P CB 0.084 31.816 31.700 0.054 0.000 0.792 486 H N -1.468 117.638 119.070 0.061 0.000 2.547 486 H HA 0.307 4.862 4.556 -0.001 0.000 0.266 486 H C 1.305 176.668 175.328 0.058 0.000 0.988 486 H CA 0.564 56.645 56.048 0.054 0.000 1.147 486 H CB -1.156 28.632 29.762 0.043 0.000 1.365 486 H HN 0.324 nan 8.280 nan 0.000 0.589 487 S N -0.518 115.226 115.700 0.073 0.000 2.587 487 S HA 0.065 4.535 4.470 -0.001 0.000 0.260 487 S C 0.936 175.578 174.600 0.070 0.000 1.353 487 S CA 0.508 58.752 58.200 0.074 0.000 0.995 487 S CB 1.180 64.439 63.200 0.099 0.000 0.912 487 S HN 0.518 nan 8.310 nan 0.000 0.568 488 Q N -0.452 119.385 119.800 0.062 0.000 2.319 488 Q HA 0.220 4.560 4.340 -0.001 0.000 0.209 488 Q C 0.408 176.448 176.000 0.066 0.000 0.884 488 Q CA 0.312 56.149 55.803 0.057 0.000 0.938 488 Q CB 0.169 28.931 28.738 0.041 0.000 1.098 488 Q HN 0.838 nan 8.270 nan 0.000 0.517 489 E N 0.755 121.005 120.200 0.083 0.000 2.392 489 E HA 0.522 4.872 4.350 -0.001 0.000 0.256 489 E C 0.537 177.211 176.600 0.124 0.000 1.145 489 E CA 0.264 56.723 56.400 0.098 0.000 0.929 489 E CB 0.636 30.402 29.700 0.110 0.000 0.998 489 E HN 0.713 nan 8.360 nan 0.000 0.442 490 S N 1.776 117.552 115.700 0.126 0.000 2.552 490 S HA 0.141 4.611 4.470 -0.001 0.000 0.289 490 S C 0.410 175.127 174.600 0.195 0.000 1.304 490 S CA 0.053 58.333 58.200 0.132 0.000 1.063 490 S CB 0.045 63.310 63.200 0.110 0.000 0.848 490 S HN 0.218 nan 8.310 nan 0.000 0.499 491 K N 1.975 122.484 120.400 0.181 0.000 2.201 491 K HA 0.147 4.467 4.320 -0.001 0.000 0.278 491 K C -0.630 176.147 176.600 0.295 0.000 1.027 491 K CA -0.512 55.917 56.287 0.237 0.000 0.909 491 K CB 0.907 33.522 32.500 0.192 0.000 1.062 491 K HN 0.792 nan 8.250 nan 0.000 0.465 492 W N 7.489 128.857 121.300 0.114 0.000 2.546 492 W HA 0.157 4.817 4.660 -0.000 0.000 0.323 492 W C -2.235 174.412 176.519 0.213 0.000 1.272 492 W CA -2.451 54.956 57.345 0.104 0.000 1.404 492 W CB -0.171 29.263 29.460 -0.044 0.000 1.411 492 W HN 0.387 nan 8.180 nan 0.000 0.480 493 P HA 0.021 nan 4.420 nan 0.000 0.274 493 P C -0.526 176.953 177.300 0.298 0.000 1.237 493 P CA -0.535 62.778 63.100 0.355 0.000 0.793 493 P CB 1.495 33.325 31.700 0.217 0.000 0.977 494 L N 2.419 123.677 121.223 0.059 0.000 2.426 494 L HA 0.228 4.568 4.340 -0.001 0.000 0.271 494 L C -0.051 176.800 176.870 -0.031 0.000 1.169 494 L CA -0.348 54.336 54.840 -0.260 0.000 0.836 494 L CB -0.831 41.096 42.059 -0.219 0.000 1.112 494 L HN 0.238 nan 8.230 nan 0.000 0.465 495 F N 4.039 123.887 119.950 -0.170 0.000 2.420 495 F HA 0.503 5.030 4.527 -0.001 0.000 0.352 495 F C 0.247 176.022 175.800 -0.042 0.000 1.108 495 F CA -0.280 57.711 58.000 -0.015 0.000 1.162 495 F CB 0.663 39.683 39.000 0.033 0.000 1.118 495 F HN 0.637 nan 8.300 nan 0.000 0.510 496 T N 1.331 115.619 114.554 -0.443 0.000 2.908 496 T HA 0.263 4.613 4.350 -0.001 0.000 0.290 496 T C 0.911 175.341 174.700 -0.450 0.000 1.034 496 T CA -0.436 61.496 62.100 -0.280 0.000 1.010 496 T CB 1.484 70.251 68.868 -0.168 0.000 1.068 496 T HN 0.566 nan 8.240 nan 0.000 0.481 497 T N 0.917 115.369 114.554 -0.171 0.000 2.685 497 T HA -0.158 4.191 4.350 -0.001 0.000 0.268 497 T C 1.742 176.348 174.700 -0.156 0.000 1.034 497 T CA 1.897 63.932 62.100 -0.107 0.000 1.149 497 T CB -0.289 68.550 68.868 -0.048 0.000 0.860 497 T HN 0.739 nan 8.240 nan 0.000 0.449 498 K N 0.445 120.754 120.400 -0.150 0.000 1.991 498 K HA -0.066 4.253 4.320 -0.001 0.000 0.207 498 K C 2.248 178.763 176.600 -0.141 0.000 1.045 498 K CA 1.121 57.338 56.287 -0.117 0.000 0.937 498 K CB 0.103 32.552 32.500 -0.085 0.000 0.720 498 K HN 0.248 nan 8.250 nan 0.000 0.438 499 E N 0.550 120.640 120.200 -0.183 0.000 2.250 499 E HA -0.093 4.256 4.350 -0.001 0.000 0.192 499 E C -0.006 176.460 176.600 -0.224 0.000 0.986 499 E CA 0.277 56.581 56.400 -0.158 0.000 0.849 499 E CB 0.146 29.776 29.700 -0.117 0.000 0.797 499 E HN 0.347 nan 8.360 nan 0.000 0.482 500 Q N 1.070 120.553 119.800 -0.528 0.000 2.434 500 Q HA -0.204 4.135 4.340 -0.001 0.000 0.299 500 Q C -0.600 175.328 176.000 -0.120 0.000 1.286 500 Q CA 0.722 56.040 55.803 -0.808 0.000 0.872 500 Q CB -1.588 26.973 28.738 -0.295 0.000 1.193 500 Q HN 0.246 nan 8.270 nan 0.000 0.466 501 K N 0.538 120.910 120.400 -0.046 0.000 2.202 501 K HA 0.569 4.889 4.320 -0.001 0.000 0.264 501 K C 0.066 176.972 176.600 0.511 0.000 1.010 501 K CA 0.131 56.532 56.287 0.190 0.000 0.940 501 K CB 0.470 33.023 32.500 0.088 0.000 0.983 501 K HN 0.226 nan 8.250 nan 0.000 0.475 502 F N -0.626 119.494 119.950 0.283 0.000 2.711 502 F HA 0.610 5.136 4.527 -0.001 0.000 0.313 502 F C -1.213 174.704 175.800 0.195 0.000 1.141 502 F CA -1.497 56.703 58.000 0.334 0.000 0.941 502 F CB 0.804 40.010 39.000 0.344 0.000 1.349 502 F HN 0.430 nan 8.300 nan 0.000 0.464 503 I N -0.854 119.847 120.570 0.218 0.000 2.892 503 I HA 0.652 4.821 4.170 -0.001 0.000 0.306 503 I C -1.228 175.033 176.117 0.240 0.000 1.078 503 I CA -0.870 60.398 61.300 -0.052 0.000 1.032 503 I CB 2.092 39.849 38.000 -0.405 0.000 1.229 503 I HN 0.467 nan 8.210 nan 0.000 0.435 504 D N 3.107 123.634 120.400 0.212 0.000 2.312 504 D HA 0.491 5.131 4.640 -0.001 0.000 0.248 504 D C -0.950 175.441 176.300 0.152 0.000 1.086 504 D CA -0.010 54.201 54.000 0.351 0.000 0.948 504 D CB 2.264 43.274 40.800 0.350 0.000 1.162 504 D HN 0.236 nan 8.370 nan 0.000 0.446 505 L N 2.714 124.032 121.223 0.159 0.000 2.388 505 L HA 0.287 4.627 4.340 -0.001 0.000 0.267 505 L C -0.559 176.251 176.870 -0.100 0.000 0.995 505 L CA -0.416 54.468 54.840 0.073 0.000 0.864 505 L CB 0.220 42.398 42.059 0.197 0.000 1.216 505 L HN 0.497 nan 8.230 nan 0.000 0.430 506 N N -0.613 118.026 118.700 -0.102 0.000 3.364 506 N HA 0.285 5.025 4.740 -0.001 0.000 0.294 506 N C 0.395 175.805 175.510 -0.165 0.000 1.562 506 N CA -0.080 52.857 53.050 -0.189 0.000 0.862 506 N CB 0.378 38.815 38.487 -0.083 0.000 1.691 506 N HN 0.074 nan 8.380 nan 0.000 0.572 507 T N -3.566 110.874 114.554 -0.191 0.000 3.160 507 T HA 0.119 4.469 4.350 -0.001 0.000 0.257 507 T C 0.025 174.699 174.700 -0.043 0.000 1.147 507 T CA 0.413 62.428 62.100 -0.141 0.000 1.064 507 T CB -0.363 68.407 68.868 -0.162 0.000 0.949 507 T HN 0.413 nan 8.240 nan 0.000 0.526 508 E N 2.287 122.480 120.200 -0.012 0.000 2.342 508 E HA 0.368 4.717 4.350 -0.001 0.000 0.257 508 E C -2.575 174.032 176.600 0.012 0.000 1.150 508 E CA -2.700 53.708 56.400 0.012 0.000 0.926 508 E CB -0.137 29.583 29.700 0.033 0.000 1.074 508 E HN 0.192 nan 8.360 nan 0.000 0.449 509 P HA 0.037 nan 4.420 nan 0.000 0.267 509 P C 0.130 177.438 177.300 0.013 0.000 1.205 509 P CA 0.108 63.218 63.100 0.016 0.000 0.765 509 P CB 0.338 32.047 31.700 0.015 0.000 0.828 510 M N 2.848 122.460 119.600 0.021 0.000 2.219 510 M HA -0.043 4.437 4.480 -0.001 0.000 0.340 510 M C 0.040 176.315 176.300 -0.043 0.000 1.135 510 M CA 1.090 56.392 55.300 0.003 0.000 0.976 510 M CB 0.194 32.814 32.600 0.034 0.000 1.713 510 M HN 0.078 nan 8.290 nan 0.000 0.457 511 K N 4.719 125.055 120.400 -0.106 0.000 2.482 511 K HA 0.572 4.891 4.320 -0.001 0.000 0.251 511 K C -1.850 174.481 176.600 -0.448 0.000 0.936 511 K CA -0.810 55.337 56.287 -0.234 0.000 0.791 511 K CB 1.966 34.345 32.500 -0.202 0.000 1.213 511 K HN 0.629 nan 8.250 nan 0.000 0.428 512 V N 5.597 125.242 119.914 -0.450 0.000 2.481 512 V HA 0.557 4.677 4.120 -0.001 0.000 0.286 512 V C 0.089 175.758 176.094 -0.709 0.000 1.042 512 V CA -0.432 61.589 62.300 -0.465 0.000 0.928 512 V CB 1.152 32.855 31.823 -0.199 0.000 0.986 512 V HN 0.912 nan 8.190 nan 0.000 0.462 513 H N 3.040 121.776 119.070 -0.557 0.000 2.869 513 H HA 0.661 5.216 4.556 -0.001 0.000 0.342 513 H C -0.991 174.038 175.328 -0.497 0.000 1.250 513 H CA -0.820 54.858 56.048 -0.617 0.000 1.217 513 H CB 2.180 31.343 29.762 -0.998 0.000 1.917 513 H HN 0.561 nan 8.280 nan 0.000 0.586 514 Q N 0.090 119.890 119.800 -0.000 0.000 2.421 514 Q HA 0.364 4.703 4.340 -0.001 0.000 0.280 514 Q C -0.676 175.552 176.000 0.380 0.000 1.085 514 Q CA -0.923 55.002 55.803 0.202 0.000 0.807 514 Q CB 2.842 31.633 28.738 0.088 0.000 1.405 514 Q HN 0.458 nan 8.270 nan 0.000 0.419 515 R N 0.981 121.703 120.500 0.370 0.000 3.059 515 R HA -0.213 4.127 4.340 -0.001 0.000 0.251 515 R C -0.585 175.863 176.300 0.247 0.000 0.886 515 R CA -0.120 56.145 56.100 0.274 0.000 0.634 515 R CB -1.525 28.874 30.300 0.165 0.000 1.282 515 R HN 0.445 nan 8.270 nan 0.000 0.487 516 L N 2.300 123.618 121.223 0.159 0.000 2.700 516 L HA -0.063 4.277 4.340 -0.001 0.000 0.276 516 L C 0.854 177.683 176.870 -0.069 0.000 1.200 516 L CA 0.845 55.551 54.840 -0.224 0.000 0.951 516 L CB -0.158 41.429 42.059 -0.787 0.000 1.226 516 L HN 0.450 nan 8.230 nan 0.000 0.489 517 R N 2.353 122.826 120.500 -0.044 0.000 3.387 517 R HA -0.225 4.115 4.340 -0.001 0.000 0.254 517 R C 1.254 177.612 176.300 0.097 0.000 1.006 517 R CA 0.651 56.773 56.100 0.036 0.000 0.677 517 R CB -1.885 28.454 30.300 0.066 0.000 1.063 517 R HN 0.691 nan 8.270 nan 0.000 0.453 518 V N 0.390 120.360 119.914 0.094 0.000 2.332 518 V HA -0.346 3.773 4.120 -0.001 0.000 0.248 518 V C 2.356 178.521 176.094 0.117 0.000 1.055 518 V CA 2.613 64.981 62.300 0.115 0.000 1.038 518 V CB -0.072 31.816 31.823 0.107 0.000 0.651 518 V HN 0.496 nan 8.190 nan 0.000 0.450 519 Q N -0.738 119.113 119.800 0.086 0.000 2.030 519 Q HA -0.207 4.133 4.340 -0.001 0.000 0.204 519 Q C 2.119 178.181 176.000 0.104 0.000 0.986 519 Q CA 2.513 58.353 55.803 0.063 0.000 0.843 519 Q CB -0.370 28.374 28.738 0.010 0.000 0.904 519 Q HN 0.536 nan 8.270 nan 0.000 0.420 520 M N -1.067 118.616 119.600 0.138 0.000 2.175 520 M HA -0.125 4.355 4.480 -0.001 0.000 0.264 520 M C 2.332 178.913 176.300 0.470 0.000 1.063 520 M CA 0.872 56.330 55.300 0.262 0.000 1.119 520 M CB -1.134 31.671 32.600 0.341 0.000 1.377 520 M HN 0.337 nan 8.290 nan 0.000 0.415 521 c N -0.447 118.377 118.600 0.374 0.000 2.446 521 c HA -0.034 4.536 4.570 -0.001 0.000 0.279 521 c C 2.928 177.199 174.090 0.301 0.000 1.366 521 c CA 0.258 56.813 56.329 0.377 0.000 1.763 521 c CB -0.868 41.799 42.510 0.262 0.000 1.929 521 c HN 0.315 nan 8.230 nan 0.000 0.509 522 V N 0.530 120.583 119.914 0.233 0.000 2.427 522 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 522 V C 2.033 178.243 176.094 0.193 0.000 1.051 522 V CA 2.114 64.523 62.300 0.182 0.000 1.048 522 V CB -0.761 31.143 31.823 0.134 0.000 0.666 522 V HN 0.577 nan 8.190 nan 0.000 0.456 523 F N -0.007 119.984 119.950 0.067 0.000 2.075 523 F HA -0.200 4.327 4.527 -0.000 0.000 0.297 523 F C 1.989 177.782 175.800 -0.011 0.000 1.113 523 F CA 1.819 59.812 58.000 -0.012 0.000 1.218 523 F CB -0.422 38.456 39.000 -0.203 0.000 0.984 523 F HN 0.170 nan 8.300 nan 0.000 0.472 524 W N 0.546 121.949 121.300 0.172 0.000 2.436 524 W HA -0.100 4.559 4.660 -0.001 0.000 0.284 524 W C 2.021 178.523 176.519 -0.028 0.000 1.225 524 W CA 0.834 58.208 57.345 0.048 0.000 1.271 524 W CB -0.447 29.162 29.460 0.247 0.000 1.114 524 W HN -0.013 nan 8.180 nan 0.000 0.559 525 N N -1.028 117.796 118.700 0.207 0.000 2.405 525 N HA -0.045 4.695 4.740 -0.001 0.000 0.175 525 N C 1.487 177.004 175.510 0.012 0.000 1.051 525 N CA 0.745 53.836 53.050 0.069 0.000 0.899 525 N CB -0.010 38.533 38.487 0.093 0.000 1.000 525 N HN 0.137 nan 8.380 nan 0.000 0.451 526 Q N -0.873 118.947 119.800 0.033 0.000 2.631 526 Q HA 0.248 4.587 4.340 -0.001 0.000 0.220 526 Q C 1.495 177.496 176.000 0.001 0.000 0.819 526 Q CA -0.284 55.538 55.803 0.031 0.000 0.914 526 Q CB -0.378 28.412 28.738 0.086 0.000 1.248 526 Q HN 0.376 nan 8.270 nan 0.000 0.629 527 F N 1.654 121.508 119.950 -0.158 0.000 2.039 527 F HA -0.038 4.489 4.527 -0.001 0.000 0.294 527 F C 2.003 177.615 175.800 -0.313 0.000 1.130 527 F CA 1.537 59.411 58.000 -0.209 0.000 1.189 527 F CB -0.652 38.232 39.000 -0.193 0.000 0.983 527 F HN 0.217 nan 8.300 nan 0.000 0.471 528 L N 1.215 122.030 121.223 -0.681 0.000 2.013 528 L HA -0.134 4.206 4.340 -0.001 0.000 0.212 528 L C -0.839 175.766 176.870 -0.443 0.000 1.073 528 L CA 2.327 56.721 54.840 -0.743 0.000 0.753 528 L CB -1.983 39.553 42.059 -0.872 0.000 0.890 528 L HN 0.046 nan 8.230 nan 0.000 0.432 529 P HA -0.215 nan 4.420 nan 0.000 0.215 529 P C 1.483 178.666 177.300 -0.195 0.000 1.153 529 P CA 1.645 64.651 63.100 -0.157 0.000 0.853 529 P CB -0.080 31.561 31.700 -0.099 0.000 0.788 530 K N -0.142 120.110 120.400 -0.246 0.000 2.057 530 K HA -0.129 4.191 4.320 -0.001 0.000 0.207 530 K C 2.046 178.465 176.600 -0.302 0.000 1.049 530 K CA 0.980 57.131 56.287 -0.228 0.000 0.931 530 K CB -0.730 31.655 32.500 -0.191 0.000 0.714 530 K HN 0.062 nan 8.250 nan 0.000 0.440 531 L N 0.954 121.872 121.223 -0.508 0.000 2.046 531 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 531 L C 2.004 178.714 176.870 -0.266 0.000 1.077 531 L CA 1.167 55.727 54.840 -0.467 0.000 0.747 531 L CB -0.122 41.514 42.059 -0.706 0.000 0.896 531 L HN 0.235 nan 8.230 nan 0.000 0.432 532 L N -0.017 121.065 121.223 -0.235 0.000 2.141 532 L HA -0.194 4.146 4.340 -0.001 0.000 0.209 532 L C 2.242 179.051 176.870 -0.101 0.000 1.094 532 L CA 1.392 56.146 54.840 -0.143 0.000 0.763 532 L CB -0.660 41.338 42.059 -0.102 0.000 0.908 532 L HN 0.414 nan 8.230 nan 0.000 0.437 533 N N 0.252 118.888 118.700 -0.106 0.000 2.216 533 N HA -0.101 4.639 4.740 -0.001 0.000 0.183 533 N C 1.764 177.231 175.510 -0.071 0.000 1.017 533 N CA 1.228 54.233 53.050 -0.075 0.000 0.861 533 N CB 0.078 38.523 38.487 -0.070 0.000 0.986 533 N HN 0.237 nan 8.380 nan 0.000 0.428 534 A N -0.586 122.179 122.820 -0.092 0.000 1.929 534 A HA 0.041 4.361 4.320 -0.001 0.000 0.216 534 A C 1.376 178.923 177.584 -0.063 0.000 1.176 534 A CA 1.486 53.479 52.037 -0.073 0.000 0.628 534 A CB -0.956 17.993 19.000 -0.085 0.000 0.816 534 A HN 0.522 nan 8.150 nan 0.000 0.444 535 T N 0.000 114.508 114.554 -0.076 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.064 62.100 -0.061 0.000 1.349 535 T CB 0.000 68.827 68.868 -0.068 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658