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 7taa_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATPADWRSQS IYFLLTDRFA RTDGSTTATc NTADQKYcGG TWQGIIDKLD DATA SEQUENCE YIQGMGFTAI WITPVTAQLP QTTAYGDAYH GYWQQDIYSL NENYGTADDL DATA SEQUENCE KALSSALHER GMYLMVDVVA NHMGYDGAGS SVDYSVFKPF SSQDYFHPFc DATA SEQUENCE FIQNYEDQTQ VEDcWLGDNT VSLPDLDTTK DVVKNEWYDW VGSLVSNYSI DATA SEQUENCE DGLRIDTVKH VQKDFWPGYN KAAGVYCIGE VLDGDPAYTc PYQNVMDGVL DATA SEQUENCE NYPIYYPLLN AFKSTSGSMD DLYNMINTVK SDcPDSTLLG TFVENHDNPR DATA SEQUENCE FASYTNDIAL AKNVAAFIIL NDGIPIIYAG QEQHYAGGND PANREATWLS DATA SEQUENCE GYPTDSELYK LIASANAIRN YAISKDTGFV TYKNWPIYKD DTTIAMRKGT DATA SEQUENCE DGSQIVTILS NKGASGDSYT LSLSGAGYTA GQQLTEVIGc TTVTVGSDGN DATA SEQUENCE VPVPMAGGLP RVLYPTEKLA GSKIcS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.695 177.584 0.184 0.000 1.274 1 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 1 A CB 0.000 18.652 19.000 -0.580 0.000 0.831 2 T N -0.933 113.716 114.554 0.159 0.000 2.862 2 T HA 0.633 4.984 4.350 0.001 0.000 0.276 2 T C -1.908 172.957 174.700 0.275 0.000 0.974 2 T CA -1.273 60.945 62.100 0.197 0.000 0.966 2 T CB 0.767 69.699 68.868 0.107 0.000 1.072 2 T HN 0.226 nan 8.240 nan 0.000 0.538 3 P HA -0.050 nan 4.420 nan 0.000 0.215 3 P C 1.621 178.963 177.300 0.070 0.000 1.153 3 P CA 1.584 64.767 63.100 0.140 0.000 0.853 3 P CB -0.340 31.473 31.700 0.190 0.000 0.788 4 A N -0.245 122.623 122.820 0.080 0.000 1.930 4 A HA -0.201 4.120 4.320 0.001 0.000 0.217 4 A C 2.008 179.622 177.584 0.051 0.000 1.175 4 A CA 1.826 53.895 52.037 0.054 0.000 0.627 4 A CB -1.300 17.727 19.000 0.045 0.000 0.815 4 A HN 0.109 nan 8.150 nan 0.000 0.443 5 D N -1.360 119.082 120.400 0.069 0.000 2.144 5 D HA -0.160 4.480 4.640 0.001 0.000 0.200 5 D C 1.563 177.880 176.300 0.028 0.000 0.978 5 D CA 1.020 55.048 54.000 0.048 0.000 0.833 5 D CB -0.272 40.567 40.800 0.065 0.000 0.961 5 D HN 0.746 nan 8.370 nan 0.000 0.470 6 W N 1.516 122.795 121.300 -0.035 0.000 2.584 6 W HA 0.060 4.720 4.660 0.001 0.000 0.264 6 W C 2.453 178.882 176.519 -0.149 0.000 1.264 6 W CA 0.083 57.356 57.345 -0.119 0.000 1.306 6 W CB 0.021 29.152 29.460 -0.548 0.000 1.110 6 W HN -0.120 nan 8.180 nan 0.000 0.606 7 R N -0.068 120.467 120.500 0.059 0.000 2.170 7 R HA -0.169 4.171 4.340 0.001 0.000 0.242 7 R C 2.001 178.344 176.300 0.072 0.000 1.145 7 R CA 1.734 57.864 56.100 0.051 0.000 0.984 7 R CB -0.725 29.599 30.300 0.040 0.000 0.869 7 R HN 0.166 nan 8.270 nan 0.000 0.455 8 S N -0.192 115.530 115.700 0.037 0.000 2.577 8 S HA 0.088 4.559 4.470 0.001 0.000 0.219 8 S C 0.478 175.067 174.600 -0.018 0.000 0.962 8 S CA -0.449 57.760 58.200 0.017 0.000 0.921 8 S CB 0.333 63.516 63.200 -0.030 0.000 0.789 8 S HN 0.025 nan 8.310 nan 0.000 0.497 9 Q N 2.064 121.872 119.800 0.014 0.000 2.199 9 Q HA 0.582 4.923 4.340 0.001 0.000 0.232 9 Q C -0.319 175.768 176.000 0.145 0.000 0.969 9 Q CA -0.232 55.575 55.803 0.007 0.000 0.925 9 Q CB 1.403 30.136 28.738 -0.009 0.000 1.198 9 Q HN 0.512 nan 8.270 nan 0.000 0.494 10 S N -0.449 115.365 115.700 0.191 0.000 2.547 10 S HA 0.714 5.184 4.470 0.001 0.000 0.281 10 S C -0.399 174.507 174.600 0.509 0.000 1.118 10 S CA -0.803 57.587 58.200 0.316 0.000 0.947 10 S CB 0.845 64.168 63.200 0.205 0.000 1.053 10 S HN 0.453 nan 8.310 nan 0.000 0.482 11 I N 2.739 123.617 120.570 0.514 0.000 2.412 11 I HA 0.370 4.540 4.170 0.001 0.000 0.296 11 I C -1.203 174.968 176.117 0.091 0.000 0.987 11 I CA -0.890 60.651 61.300 0.402 0.000 1.180 11 I CB 1.512 39.767 38.000 0.426 0.000 1.340 11 I HN 0.775 nan 8.210 nan 0.000 0.455 12 Y N 7.173 127.276 120.300 -0.328 0.000 2.369 12 Y HA 0.383 4.934 4.550 0.001 0.000 0.337 12 Y C -0.878 174.910 175.900 -0.186 0.000 0.961 12 Y CA -0.913 56.799 58.100 -0.646 0.000 1.186 12 Y CB 0.758 38.695 38.460 -0.872 0.000 1.139 12 Y HN 0.400 nan 8.280 nan 0.000 0.494 13 F N 8.617 128.223 119.950 -0.574 0.000 2.404 13 F HA 0.639 5.167 4.527 0.001 0.000 0.345 13 F C -1.643 173.745 175.800 -0.686 0.000 1.110 13 F CA -1.529 56.091 58.000 -0.634 0.000 1.130 13 F CB 0.465 38.930 39.000 -0.893 0.000 1.129 13 F HN 0.411 nan 8.300 nan 0.000 0.500 14 L N 4.854 125.556 121.223 -0.869 0.000 2.376 14 L HA 0.638 4.978 4.340 0.001 0.000 0.258 14 L C -1.940 174.550 176.870 -0.634 0.000 1.013 14 L CA -1.072 53.290 54.840 -0.796 0.000 0.822 14 L CB 2.026 43.743 42.059 -0.570 0.000 1.388 14 L HN 0.454 nan 8.230 nan 0.000 0.413 15 L N 1.660 122.654 121.223 -0.382 0.000 2.272 15 L HA 0.352 4.693 4.340 0.001 0.000 0.289 15 L C 1.010 177.859 176.870 -0.035 0.000 1.032 15 L CA -0.430 54.310 54.840 -0.166 0.000 0.810 15 L CB 1.566 43.620 42.059 -0.009 0.000 1.205 15 L HN 0.913 nan 8.230 nan 0.000 0.422 16 T N 0.584 115.074 114.554 -0.106 0.000 2.699 16 T HA -0.236 4.115 4.350 0.001 0.000 0.268 16 T C 1.388 176.069 174.700 -0.032 0.000 1.036 16 T CA 2.041 64.041 62.100 -0.167 0.000 1.147 16 T CB -0.081 68.410 68.868 -0.627 0.000 0.862 16 T HN 0.660 nan 8.240 nan 0.000 0.446 17 D N 0.245 120.681 120.400 0.059 0.000 2.264 17 D HA -0.070 4.571 4.640 0.001 0.000 0.208 17 D C 1.970 178.468 176.300 0.330 0.000 0.966 17 D CA 0.702 54.890 54.000 0.313 0.000 0.864 17 D CB 0.188 41.269 40.800 0.467 0.000 0.933 17 D HN 0.069 nan 8.370 nan 0.000 0.499 18 R N -0.973 119.661 120.500 0.222 0.000 2.437 18 R HA 0.123 4.463 4.340 0.001 0.000 0.257 18 R C 0.929 177.308 176.300 0.131 0.000 0.927 18 R CA -0.163 55.967 56.100 0.051 0.000 1.078 18 R CB -0.320 29.948 30.300 -0.054 0.000 1.161 18 R HN 0.271 nan 8.270 nan 0.000 0.529 19 F N 0.780 120.860 119.950 0.218 0.000 2.208 19 F HA 0.432 4.960 4.527 0.001 0.000 0.282 19 F C 0.086 176.214 175.800 0.548 0.000 1.071 19 F CA 0.270 58.431 58.000 0.268 0.000 1.228 19 F CB 0.322 39.432 39.000 0.182 0.000 1.088 19 F HN -0.120 nan 8.300 nan 0.000 0.512 20 A N 0.698 123.695 122.820 0.295 0.000 2.459 20 A HA 0.639 4.960 4.320 0.001 0.000 0.296 20 A C -0.797 176.783 177.584 -0.007 0.000 1.039 20 A CA -0.803 51.277 52.037 0.071 0.000 0.698 20 A CB 0.994 19.896 19.000 -0.164 0.000 1.261 20 A HN 0.293 nan 8.150 nan 0.000 0.405 21 R N 0.895 121.220 120.500 -0.292 0.000 2.528 21 R HA 0.454 4.795 4.340 0.001 0.000 0.271 21 R C 0.864 177.063 176.300 -0.169 0.000 1.056 21 R CA -0.094 55.822 56.100 -0.307 0.000 1.117 21 R CB 0.572 30.524 30.300 -0.581 0.000 1.085 21 R HN 0.740 nan 8.270 nan 0.000 0.530 22 T N 0.925 115.413 114.554 -0.110 0.000 2.759 22 T HA -0.171 4.179 4.350 0.001 0.000 0.269 22 T C 1.043 175.687 174.700 -0.092 0.000 1.042 22 T CA 1.940 63.998 62.100 -0.070 0.000 1.140 22 T CB -0.303 68.538 68.868 -0.044 0.000 0.864 22 T HN 0.734 nan 8.240 nan 0.000 0.455 23 D N 0.643 120.966 120.400 -0.130 0.000 2.363 23 D HA 0.167 4.808 4.640 0.001 0.000 0.226 23 D C 1.530 177.751 176.300 -0.132 0.000 1.020 23 D CA 0.654 54.582 54.000 -0.120 0.000 0.892 23 D CB -1.014 39.709 40.800 -0.128 0.000 0.900 23 D HN 0.428 nan 8.370 nan 0.000 0.531 24 G N -0.044 108.662 108.800 -0.156 0.000 2.180 24 G HA2 -0.345 3.616 3.960 0.001 0.000 0.263 24 G HA3 -0.345 3.616 3.960 0.001 0.000 0.263 24 G C 0.431 175.246 174.900 -0.141 0.000 0.989 24 G CA 0.615 45.632 45.100 -0.138 0.000 0.692 24 G HN 0.664 nan 8.290 nan 0.000 0.526 25 S N -0.173 115.390 115.700 -0.228 0.000 2.558 25 S HA 0.416 4.887 4.470 0.001 0.000 0.288 25 S C 1.692 176.176 174.600 -0.193 0.000 1.318 25 S CA 1.290 59.363 58.200 -0.213 0.000 1.056 25 S CB 0.598 63.622 63.200 -0.293 0.000 0.853 25 S HN 1.195 nan 8.310 nan 0.000 0.505 26 T N -0.263 114.278 114.554 -0.023 0.000 3.085 26 T HA 0.187 4.538 4.350 0.001 0.000 0.264 26 T C 0.979 175.790 174.700 0.184 0.000 1.019 26 T CA 0.353 62.524 62.100 0.118 0.000 0.910 26 T CB -0.077 68.844 68.868 0.088 0.000 1.059 26 T HN 0.679 nan 8.240 nan 0.000 0.542 27 T N -1.686 112.935 114.554 0.112 0.000 3.016 27 T HA 0.599 4.950 4.350 0.001 0.000 0.271 27 T C 0.930 175.710 174.700 0.134 0.000 0.968 27 T CA 0.151 62.320 62.100 0.116 0.000 0.891 27 T CB -0.089 68.808 68.868 0.048 0.000 1.149 27 T HN 0.491 nan 8.240 nan 0.000 0.524 28 A N 2.560 125.447 122.820 0.112 0.000 2.566 28 A HA 0.425 4.746 4.320 0.001 0.000 0.245 28 A C 0.727 178.484 177.584 0.289 0.000 1.056 28 A CA 0.105 52.217 52.037 0.124 0.000 0.757 28 A CB -0.553 18.426 19.000 -0.034 0.000 0.979 28 A HN 0.425 nan 8.150 nan 0.000 0.508 29 T N 1.772 116.421 114.554 0.158 0.000 2.905 29 T HA 0.219 4.569 4.350 0.001 0.000 0.299 29 T C 0.105 174.886 174.700 0.135 0.000 1.024 29 T CA 0.646 62.814 62.100 0.113 0.000 1.151 29 T CB 0.043 68.945 68.868 0.058 0.000 0.987 29 T HN 0.951 nan 8.240 nan 0.000 0.535 30 c N 6.164 124.789 118.600 0.042 0.000 3.384 30 c HA 0.339 4.909 4.570 0.001 0.000 0.294 30 c C -0.216 173.811 174.090 -0.105 0.000 1.062 30 c CA -1.215 55.096 56.329 -0.029 0.000 1.325 30 c CB -0.906 41.529 42.510 -0.125 0.000 1.793 30 c HN 0.896 nan 8.230 nan 0.000 0.563 31 N N 1.857 120.514 118.700 -0.072 0.000 2.430 31 N HA 0.144 4.885 4.740 0.001 0.000 0.265 31 N C 1.391 176.840 175.510 -0.101 0.000 1.100 31 N CA 0.694 53.696 53.050 -0.081 0.000 0.961 31 N CB 1.756 40.214 38.487 -0.047 0.000 1.075 31 N HN 0.754 nan 8.380 nan 0.000 0.478 32 T N 1.021 115.506 114.554 -0.115 0.000 2.915 32 T HA -0.062 4.289 4.350 0.001 0.000 0.269 32 T C 1.699 176.362 174.700 -0.062 0.000 1.071 32 T CA 0.963 62.995 62.100 -0.114 0.000 1.132 32 T CB -0.253 68.555 68.868 -0.100 0.000 0.878 32 T HN 0.442 nan 8.240 nan 0.000 0.479 33 A N 2.070 124.866 122.820 -0.041 0.000 2.070 33 A HA -0.084 4.237 4.320 0.001 0.000 0.220 33 A C 2.046 179.638 177.584 0.013 0.000 1.159 33 A CA 1.511 53.545 52.037 -0.006 0.000 0.656 33 A CB -0.627 18.369 19.000 -0.008 0.000 0.800 33 A HN 0.446 nan 8.150 nan 0.000 0.453 34 D N -0.723 119.673 120.400 -0.006 0.000 2.269 34 D HA -0.049 4.592 4.640 0.001 0.000 0.208 34 D C 0.492 176.812 176.300 0.034 0.000 0.963 34 D CA 0.774 54.782 54.000 0.014 0.000 0.864 34 D CB -0.289 40.511 40.800 0.000 0.000 0.936 34 D HN 0.578 nan 8.370 nan 0.000 0.505 35 Q N -0.705 119.094 119.800 -0.000 0.000 2.481 35 Q HA -0.219 4.122 4.340 0.001 0.000 0.272 35 Q C 0.181 176.201 176.000 0.033 0.000 1.157 35 Q CA 0.756 56.596 55.803 0.061 0.000 0.935 35 Q CB -1.205 27.679 28.738 0.242 0.000 1.338 35 Q HN 0.288 nan 8.270 nan 0.000 0.494 36 K N -0.041 120.308 120.400 -0.084 0.000 2.132 36 K HA 0.329 4.649 4.320 0.001 0.000 0.241 36 K C -0.613 175.916 176.600 -0.118 0.000 1.000 36 K CA -0.622 55.645 56.287 -0.033 0.000 0.911 36 K CB 0.638 33.153 32.500 0.025 0.000 1.093 36 K HN -0.047 nan 8.250 nan 0.000 0.460 37 Y N 0.692 121.019 120.300 0.044 0.000 2.632 37 Y HA -0.070 4.480 4.550 0.001 0.000 0.329 37 Y C 1.122 177.046 175.900 0.041 0.000 1.174 37 Y CA 0.065 58.204 58.100 0.065 0.000 1.469 37 Y CB 0.447 38.947 38.460 0.067 0.000 1.242 37 Y HN 0.520 nan 8.280 nan 0.000 0.540 38 c N 1.390 120.127 118.600 0.228 0.000 2.780 38 c HA 0.290 4.861 4.570 0.001 0.000 0.267 38 c C 1.689 175.974 174.090 0.326 0.000 1.266 38 c CA 0.703 57.188 56.329 0.260 0.000 1.709 38 c CB -0.742 41.911 42.510 0.237 0.000 1.975 38 c HN 1.203 nan 8.230 nan 0.000 0.582 39 G N 0.109 109.086 108.800 0.294 0.000 2.168 39 G HA2 -0.036 3.924 3.960 0.001 0.000 0.197 39 G HA3 -0.036 3.924 3.960 0.001 0.000 0.197 39 G C 0.346 175.310 174.900 0.106 0.000 0.997 39 G CA -0.105 45.078 45.100 0.138 0.000 0.658 39 G HN 0.757 nan 8.290 nan 0.000 0.513 40 G N 0.165 109.132 108.800 0.279 0.000 2.554 40 G HA2 0.614 4.575 3.960 0.001 0.000 0.238 40 G HA3 0.614 4.575 3.960 0.001 0.000 0.238 40 G C 0.412 175.384 174.900 0.121 0.000 1.259 40 G CA 1.391 46.631 45.100 0.233 0.000 0.843 40 G HN 1.575 nan 8.290 nan 0.000 0.582 41 T N -1.940 112.649 114.554 0.057 0.000 2.864 41 T HA 0.334 4.684 4.350 0.001 0.000 0.299 41 T C 0.576 175.316 174.700 0.068 0.000 1.166 41 T CA -0.897 61.190 62.100 -0.022 0.000 1.007 41 T CB 1.306 70.175 68.868 0.002 0.000 1.219 41 T HN 0.492 nan 8.240 nan 0.000 0.506 42 W N 0.449 121.819 121.300 0.118 0.000 2.363 42 W HA -0.042 4.619 4.660 0.001 0.000 0.296 42 W C 2.388 178.960 176.519 0.089 0.000 1.212 42 W CA 1.193 58.591 57.345 0.089 0.000 1.260 42 W CB -0.982 28.525 29.460 0.079 0.000 1.131 42 W HN 0.815 nan 8.180 nan 0.000 0.530 43 Q N 0.366 120.336 119.800 0.283 0.000 2.084 43 Q HA -0.089 4.252 4.340 0.001 0.000 0.202 43 Q C 2.413 178.494 176.000 0.135 0.000 0.978 43 Q CA 2.528 58.435 55.803 0.174 0.000 0.844 43 Q CB -1.105 27.705 28.738 0.120 0.000 0.898 43 Q HN 0.155 nan 8.270 nan 0.000 0.426 44 G N 0.473 109.344 108.800 0.120 0.000 2.440 44 G HA2 -0.229 3.731 3.960 0.001 0.000 0.218 44 G HA3 -0.229 3.731 3.960 0.001 0.000 0.218 44 G C 1.457 176.463 174.900 0.177 0.000 1.154 44 G CA 1.001 46.152 45.100 0.085 0.000 0.767 44 G HN 0.434 nan 8.290 nan 0.000 0.552 45 I N 0.587 121.340 120.570 0.306 0.000 2.163 45 I HA -0.195 3.976 4.170 0.001 0.000 0.243 45 I C 2.688 178.964 176.117 0.265 0.000 1.085 45 I CA 0.924 62.472 61.300 0.413 0.000 1.347 45 I CB -0.279 37.926 38.000 0.342 0.000 1.044 45 I HN 0.156 nan 8.210 nan 0.000 0.408 46 I N 0.820 121.503 120.570 0.187 0.000 2.151 46 I HA -0.349 3.822 4.170 0.001 0.000 0.243 46 I C 2.002 178.177 176.117 0.097 0.000 1.080 46 I CA 1.546 62.921 61.300 0.126 0.000 1.339 46 I CB -0.584 37.478 38.000 0.104 0.000 1.039 46 I HN 0.257 nan 8.210 nan 0.000 0.409 47 D N 0.722 121.165 120.400 0.072 0.000 2.263 47 D HA -0.122 4.519 4.640 0.001 0.000 0.208 47 D C 1.531 177.831 176.300 -0.001 0.000 0.971 47 D CA 1.091 55.102 54.000 0.020 0.000 0.867 47 D CB -0.115 40.671 40.800 -0.024 0.000 0.929 47 D HN 0.242 nan 8.370 nan 0.000 0.492 48 K N 0.315 120.742 120.400 0.044 0.000 2.498 48 K HA 0.221 4.541 4.320 0.001 0.000 0.207 48 K C 1.611 178.324 176.600 0.187 0.000 1.033 48 K CA -0.191 56.116 56.287 0.034 0.000 1.138 48 K CB 0.515 32.971 32.500 -0.073 0.000 0.860 48 K HN 0.206 nan 8.250 nan 0.000 0.490 49 L N 0.540 121.849 121.223 0.142 0.000 2.201 49 L HA -0.185 4.156 4.340 0.001 0.000 0.212 49 L C 1.363 178.298 176.870 0.108 0.000 1.105 49 L CA 1.101 56.017 54.840 0.127 0.000 0.775 49 L CB -0.112 42.003 42.059 0.093 0.000 0.913 49 L HN 0.111 nan 8.230 nan 0.000 0.440 50 D N -0.920 119.540 120.400 0.100 0.000 2.144 50 D HA -0.228 4.413 4.640 0.001 0.000 0.200 50 D C 1.838 178.223 176.300 0.141 0.000 0.978 50 D CA 1.096 55.151 54.000 0.090 0.000 0.833 50 D CB -0.120 40.720 40.800 0.067 0.000 0.961 50 D HN 0.337 nan 8.370 nan 0.000 0.470 51 Y N 1.474 121.808 120.300 0.057 0.000 2.145 51 Y HA -0.172 4.379 4.550 0.001 0.000 0.286 51 Y C 2.143 178.130 175.900 0.144 0.000 1.145 51 Y CA 1.374 59.551 58.100 0.128 0.000 1.148 51 Y CB -0.298 38.214 38.460 0.086 0.000 0.981 51 Y HN -0.114 nan 8.280 nan 0.000 0.507 52 I N 0.111 120.726 120.570 0.074 0.000 2.133 52 I HA -0.322 3.849 4.170 0.001 0.000 0.238 52 I C 2.576 178.646 176.117 -0.077 0.000 1.074 52 I CA 1.812 62.998 61.300 -0.191 0.000 1.342 52 I CB -0.620 37.270 38.000 -0.184 0.000 1.053 52 I HN 0.261 nan 8.210 nan 0.000 0.404 53 Q N 0.881 120.680 119.800 -0.001 0.000 2.181 53 Q HA -0.183 4.158 4.340 0.001 0.000 0.205 53 Q C 2.148 178.123 176.000 -0.042 0.000 0.980 53 Q CA 1.723 57.526 55.803 0.001 0.000 0.862 53 Q CB -0.278 28.468 28.738 0.014 0.000 0.905 53 Q HN 0.602 nan 8.270 nan 0.000 0.429 54 G N 0.115 108.905 108.800 -0.016 0.000 2.498 54 G HA2 -0.220 3.741 3.960 0.001 0.000 0.219 54 G HA3 -0.220 3.741 3.960 0.001 0.000 0.219 54 G C 1.195 176.026 174.900 -0.115 0.000 1.119 54 G CA 0.414 45.524 45.100 0.018 0.000 0.766 54 G HN 0.311 nan 8.290 nan 0.000 0.552 55 M N -0.039 119.364 119.600 -0.328 0.000 2.556 55 M HA 0.217 4.697 4.480 0.001 0.000 0.245 55 M C 1.729 177.719 176.300 -0.517 0.000 1.128 55 M CA 0.739 55.696 55.300 -0.572 0.000 1.069 55 M CB 0.502 32.736 32.600 -0.610 0.000 1.469 55 M HN 0.341 nan 8.290 nan 0.000 0.494 56 G N 0.533 109.125 108.800 -0.346 0.000 2.132 56 G HA2 -0.240 3.720 3.960 0.001 0.000 0.234 56 G HA3 -0.240 3.720 3.960 0.001 0.000 0.234 56 G C -0.162 174.520 174.900 -0.364 0.000 0.989 56 G CA -0.535 44.372 45.100 -0.321 0.000 0.676 56 G HN 0.330 nan 8.290 nan 0.000 0.522 57 F N 0.786 120.671 119.950 -0.108 0.000 2.418 57 F HA 0.485 5.013 4.527 0.001 0.000 0.341 57 F C 1.908 177.681 175.800 -0.045 0.000 1.120 57 F CA 0.799 58.773 58.000 -0.044 0.000 1.232 57 F CB 1.378 40.375 39.000 -0.005 0.000 1.175 57 F HN 0.107 nan 8.300 nan 0.000 0.569 58 T N -0.981 113.667 114.554 0.156 0.000 3.044 58 T HA 0.711 5.062 4.350 0.001 0.000 0.260 58 T C 0.024 174.745 174.700 0.036 0.000 1.019 58 T CA 0.204 62.308 62.100 0.008 0.000 0.921 58 T CB -0.149 68.639 68.868 -0.132 0.000 1.053 58 T HN 0.706 nan 8.240 nan 0.000 0.533 59 A N 1.428 124.367 122.820 0.199 0.000 2.610 59 A HA 0.773 5.094 4.320 0.001 0.000 0.291 59 A C -1.414 176.354 177.584 0.307 0.000 1.086 59 A CA -1.233 50.967 52.037 0.271 0.000 0.677 59 A CB 1.085 20.326 19.000 0.401 0.000 1.278 59 A HN 0.774 nan 8.150 nan 0.000 0.414 60 I N -2.716 118.048 120.570 0.322 0.000 2.730 60 I HA 0.845 5.015 4.170 0.001 0.000 0.298 60 I C -1.159 175.192 176.117 0.390 0.000 1.089 60 I CA -0.756 60.716 61.300 0.287 0.000 1.041 60 I CB 2.090 40.199 38.000 0.183 0.000 1.235 60 I HN 0.830 nan 8.210 nan 0.000 0.423 61 W N 8.567 129.969 121.300 0.170 0.000 2.376 61 W HA 0.754 5.415 4.660 0.001 0.000 0.312 61 W C -1.382 175.259 176.519 0.204 0.000 1.060 61 W CA -1.984 55.453 57.345 0.154 0.000 1.221 61 W CB 0.810 30.308 29.460 0.062 0.000 1.281 61 W HN 0.623 nan 8.180 nan 0.000 0.456 62 I N 4.323 125.195 120.570 0.503 0.000 2.603 62 I HA 0.678 4.849 4.170 0.001 0.000 0.300 62 I C 0.717 177.047 176.117 0.355 0.000 1.017 62 I CA -0.737 60.735 61.300 0.287 0.000 1.098 62 I CB 1.856 39.982 38.000 0.209 0.000 1.279 62 I HN 0.457 nan 8.210 nan 0.000 0.437 63 T N 2.187 116.860 114.554 0.200 0.000 2.701 63 T HA 0.334 4.685 4.350 0.001 0.000 0.303 63 T C -2.420 172.349 174.700 0.115 0.000 1.030 63 T CA -1.102 61.089 62.100 0.152 0.000 1.010 63 T CB -0.209 68.669 68.868 0.017 0.000 1.007 63 T HN 0.498 nan 8.240 nan 0.000 0.532 64 P HA 0.113 nan 4.420 nan 0.000 0.266 64 P C 1.016 178.482 177.300 0.278 0.000 1.195 64 P CA -0.284 62.883 63.100 0.113 0.000 0.768 64 P CB 0.390 32.096 31.700 0.010 0.000 0.838 65 V N 0.018 120.132 119.914 0.334 0.000 3.471 65 V HA 0.054 4.175 4.120 0.001 0.000 0.258 65 V C 0.751 177.097 176.094 0.419 0.000 1.192 65 V CA 0.718 63.305 62.300 0.479 0.000 1.116 65 V CB -1.380 30.628 31.823 0.309 0.000 0.792 65 V HN 0.566 nan 8.190 nan 0.000 0.459 66 T N 0.461 115.225 114.554 0.350 0.000 2.855 66 T HA 0.574 4.924 4.350 0.001 0.000 0.314 66 T C 0.439 175.296 174.700 0.261 0.000 1.077 66 T CA 0.197 62.490 62.100 0.322 0.000 1.095 66 T CB 0.928 69.992 68.868 0.326 0.000 0.987 66 T HN 1.097 nan 8.240 nan 0.000 0.546 67 A N 2.692 125.651 122.820 0.232 0.000 2.520 67 A HA 0.377 4.698 4.320 0.001 0.000 0.245 67 A C 0.634 178.341 177.584 0.204 0.000 1.072 67 A CA -0.510 51.636 52.037 0.183 0.000 0.761 67 A CB -0.036 19.067 19.000 0.172 0.000 1.004 67 A HN 0.798 nan 8.150 nan 0.000 0.499 68 Q N 0.484 120.396 119.800 0.187 0.000 2.194 68 Q HA 0.463 4.804 4.340 0.001 0.000 0.245 68 Q C -0.216 175.921 176.000 0.229 0.000 0.993 68 Q CA -0.978 54.969 55.803 0.239 0.000 0.930 68 Q CB 1.039 29.913 28.738 0.227 0.000 1.238 68 Q HN 0.798 nan 8.270 nan 0.000 0.486 69 L N 0.098 121.480 121.223 0.265 0.000 2.559 69 L HA 0.111 4.451 4.340 0.001 0.000 0.282 69 L C -1.676 175.290 176.870 0.160 0.000 1.232 69 L CA -0.227 54.723 54.840 0.183 0.000 0.885 69 L CB -0.488 41.666 42.059 0.158 0.000 1.131 69 L HN 0.375 nan 8.230 nan 0.000 0.498 70 P HA -0.009 nan 4.420 nan 0.000 0.230 70 P C 0.119 177.477 177.300 0.096 0.000 1.168 70 P CA 0.560 63.717 63.100 0.095 0.000 0.793 70 P CB 0.324 32.054 31.700 0.049 0.000 0.851 71 Q N 0.198 120.033 119.800 0.059 0.000 2.454 71 Q HA 0.205 4.545 4.340 0.001 0.000 0.247 71 Q C 0.113 176.173 176.000 0.101 0.000 1.028 71 Q CA 0.656 56.486 55.803 0.045 0.000 0.910 71 Q CB -0.235 28.483 28.738 -0.032 0.000 1.276 71 Q HN -0.090 nan 8.270 nan 0.000 0.489 72 T N 2.235 116.840 114.554 0.086 0.000 2.739 72 T HA 0.220 4.571 4.350 0.001 0.000 0.298 72 T C 0.169 174.915 174.700 0.076 0.000 0.929 72 T CA -0.445 61.721 62.100 0.110 0.000 1.014 72 T CB -0.207 68.718 68.868 0.096 0.000 0.914 72 T HN 0.709 nan 8.240 nan 0.000 0.509 73 T N 0.634 115.252 114.554 0.106 0.000 2.770 73 T HA 0.502 4.852 4.350 0.001 0.000 0.281 73 T C 1.882 176.595 174.700 0.023 0.000 0.981 73 T CA -0.359 61.751 62.100 0.016 0.000 0.955 73 T CB 0.644 69.490 68.868 -0.037 0.000 1.060 73 T HN 0.392 nan 8.240 nan 0.000 0.531 74 A N -0.328 122.437 122.820 -0.092 0.000 2.125 74 A HA 0.036 4.356 4.320 0.001 0.000 0.219 74 A C 1.378 178.969 177.584 0.011 0.000 1.156 74 A CA 0.903 52.878 52.037 -0.103 0.000 0.671 74 A CB -1.026 17.822 19.000 -0.254 0.000 0.794 74 A HN 0.824 nan 8.150 nan 0.000 0.459 75 Y N -0.502 119.886 120.300 0.147 0.000 2.524 75 Y HA 0.424 4.975 4.550 0.001 0.000 0.266 75 Y C 1.490 177.588 175.900 0.329 0.000 1.180 75 Y CA -0.314 57.932 58.100 0.244 0.000 1.244 75 Y CB -0.552 38.115 38.460 0.345 0.000 1.125 75 Y HN 0.475 nan 8.280 nan 0.000 0.524 76 G N 0.031 109.061 108.800 0.384 0.000 2.627 76 G HA2 -0.197 3.764 3.960 0.001 0.000 0.214 76 G HA3 -0.197 3.764 3.960 0.001 0.000 0.214 76 G C -0.921 174.190 174.900 0.353 0.000 1.331 76 G CA -0.821 44.470 45.100 0.319 0.000 0.891 76 G HN 0.049 nan 8.290 nan 0.000 0.539 77 D N 0.309 120.842 120.400 0.222 0.000 2.358 77 D HA 0.517 5.158 4.640 0.001 0.000 0.244 77 D C 1.069 177.283 176.300 -0.143 0.000 1.163 77 D CA 0.611 54.662 54.000 0.084 0.000 0.945 77 D CB 1.149 41.870 40.800 -0.132 0.000 1.152 77 D HN 1.094 nan 8.370 nan 0.000 0.451 78 A N 1.344 124.021 122.820 -0.239 0.000 3.019 78 A HA 0.037 4.358 4.320 0.001 0.000 0.262 78 A C 0.896 177.887 177.584 -0.989 0.000 1.509 78 A CA -0.332 51.288 52.037 -0.696 0.000 1.159 78 A CB -1.288 17.704 19.000 -0.013 0.000 1.042 78 A HN 0.594 nan 8.150 nan 0.000 0.641 79 Y N -0.497 119.155 120.300 -1.081 0.000 2.315 79 Y HA -0.287 4.263 4.550 0.001 0.000 0.288 79 Y C 1.803 177.539 175.900 -0.274 0.000 1.154 79 Y CA 1.685 59.312 58.100 -0.789 0.000 1.229 79 Y CB -1.134 36.993 38.460 -0.556 0.000 0.980 79 Y HN 0.677 nan 8.280 nan 0.000 0.540 80 H N -1.349 117.246 119.070 -0.791 0.000 2.547 80 H HA 0.354 4.911 4.556 0.001 0.000 0.272 80 H C 1.969 177.087 175.328 -0.351 0.000 0.989 80 H CA -0.007 55.768 56.048 -0.454 0.000 1.214 80 H CB -0.544 28.903 29.762 -0.524 0.000 1.389 80 H HN 0.425 nan 8.280 nan 0.000 0.577 81 G N -0.176 108.487 108.800 -0.229 0.000 2.159 81 G HA2 -0.362 3.599 3.960 0.001 0.000 0.256 81 G HA3 -0.362 3.599 3.960 0.001 0.000 0.256 81 G C 0.313 175.143 174.900 -0.117 0.000 0.977 81 G CA 0.493 45.531 45.100 -0.103 0.000 0.652 81 G HN 0.539 nan 8.290 nan 0.000 0.531 82 Y N -1.316 119.120 120.300 0.226 0.000 2.466 82 Y HA 0.381 4.932 4.550 0.001 0.000 0.272 82 Y C 0.838 177.013 175.900 0.458 0.000 1.169 82 Y CA -0.474 57.767 58.100 0.236 0.000 1.285 82 Y CB 0.360 38.879 38.460 0.097 0.000 1.078 82 Y HN 0.373 nan 8.280 nan 0.000 0.523 83 W N 3.078 124.614 121.300 0.392 0.000 1.993 83 W HA 0.329 4.989 4.660 0.001 0.000 0.288 83 W C -0.102 176.577 176.519 0.267 0.000 0.844 83 W CA -1.621 55.922 57.345 0.330 0.000 2.039 83 W CB -0.501 29.133 29.460 0.290 0.000 2.270 83 W HN 0.135 nan 8.180 nan 0.000 0.389 84 Q N -0.152 119.910 119.800 0.437 0.000 2.354 84 Q HA 0.289 4.629 4.340 0.001 0.000 0.244 84 Q C 0.262 176.482 176.000 0.366 0.000 0.969 84 Q CA 0.175 56.182 55.803 0.340 0.000 0.885 84 Q CB 1.654 30.553 28.738 0.268 0.000 1.241 84 Q HN 0.398 nan 8.270 nan 0.000 0.461 85 Q N 0.042 120.058 119.800 0.361 0.000 2.384 85 Q HA 0.087 4.427 4.340 0.001 0.000 0.264 85 Q C -0.640 175.581 176.000 0.368 0.000 0.825 85 Q CA 0.164 56.248 55.803 0.468 0.000 0.984 85 Q CB 1.026 30.006 28.738 0.403 0.000 1.183 85 Q HN 0.695 nan 8.270 nan 0.000 0.537 86 D N 1.084 121.641 120.400 0.263 0.000 2.440 86 D HA 0.142 4.782 4.640 0.001 0.000 0.252 86 D C 0.531 176.939 176.300 0.180 0.000 1.180 86 D CA -0.379 53.749 54.000 0.213 0.000 0.894 86 D CB 1.027 41.950 40.800 0.204 0.000 1.111 86 D HN 0.231 nan 8.370 nan 0.000 0.544 87 I N 0.546 121.154 120.570 0.063 0.000 3.176 87 I HA -0.004 4.167 4.170 0.001 0.000 0.275 87 I C 0.187 176.327 176.117 0.038 0.000 1.298 87 I CA 0.600 61.891 61.300 -0.015 0.000 1.445 87 I CB -0.188 37.544 38.000 -0.446 0.000 1.075 87 I HN 0.156 nan 8.210 nan 0.000 0.482 88 Y N 1.961 122.425 120.300 0.273 0.000 2.468 88 Y HA 0.288 4.839 4.550 0.001 0.000 0.268 88 Y C 1.072 177.117 175.900 0.242 0.000 1.177 88 Y CA -0.353 57.913 58.100 0.276 0.000 1.265 88 Y CB -0.101 38.457 38.460 0.164 0.000 1.103 88 Y HN 0.334 nan 8.280 nan 0.000 0.522 89 S N -1.182 114.709 115.700 0.318 0.000 2.632 89 S HA 0.732 5.202 4.470 0.001 0.000 0.289 89 S C -0.981 173.777 174.600 0.263 0.000 1.115 89 S CA -0.984 57.378 58.200 0.269 0.000 0.889 89 S CB 1.817 65.147 63.200 0.216 0.000 1.116 89 S HN 0.046 nan 8.310 nan 0.000 0.486 90 L N 1.274 122.647 121.223 0.251 0.000 2.352 90 L HA 0.492 4.833 4.340 0.001 0.000 0.269 90 L C 0.503 177.497 176.870 0.206 0.000 1.034 90 L CA -0.828 54.184 54.840 0.286 0.000 0.806 90 L CB 1.070 43.342 42.059 0.356 0.000 1.244 90 L HN 0.838 nan 8.230 nan 0.000 0.447 91 N N 0.763 119.568 118.700 0.175 0.000 2.416 91 N HA -0.021 4.720 4.740 0.001 0.000 0.265 91 N C 0.641 176.027 175.510 -0.206 0.000 1.195 91 N CA -0.135 52.869 53.050 -0.077 0.000 0.943 91 N CB 0.575 38.885 38.487 -0.296 0.000 1.115 91 N HN 0.575 nan 8.380 nan 0.000 0.481 92 E N 2.239 122.339 120.200 -0.168 0.000 2.338 92 E HA -0.169 4.181 4.350 0.001 0.000 0.197 92 E C 0.700 177.118 176.600 -0.303 0.000 1.007 92 E CA 0.703 57.010 56.400 -0.155 0.000 0.849 92 E CB 0.050 29.696 29.700 -0.090 0.000 0.774 92 E HN 0.693 nan 8.360 nan 0.000 0.506 93 N N -0.130 118.250 118.700 -0.533 0.000 2.381 93 N HA -0.145 4.595 4.740 0.001 0.000 0.182 93 N C 0.775 176.012 175.510 -0.455 0.000 1.025 93 N CA 0.859 53.542 53.050 -0.612 0.000 0.888 93 N CB 0.047 37.895 38.487 -1.065 0.000 0.965 93 N HN 0.204 nan 8.380 nan 0.000 0.438 94 Y N -0.609 119.384 120.300 -0.511 0.000 2.500 94 Y HA 0.399 4.949 4.550 0.001 0.000 0.270 94 Y C 1.515 176.993 175.900 -0.704 0.000 1.134 94 Y CA -0.034 57.559 58.100 -0.844 0.000 1.293 94 Y CB -0.016 37.415 38.460 -1.714 0.000 1.063 94 Y HN -0.014 nan 8.280 nan 0.000 0.534 95 G N -0.415 108.248 108.800 -0.228 0.000 2.302 95 G HA2 0.186 4.147 3.960 0.001 0.000 0.276 95 G HA3 0.186 4.147 3.960 0.001 0.000 0.276 95 G C -0.534 174.539 174.900 0.288 0.000 1.316 95 G CA -0.543 44.625 45.100 0.114 0.000 0.988 95 G HN 0.218 nan 8.290 nan 0.000 0.479 96 T N -2.014 112.746 114.554 0.343 0.000 2.910 96 T HA 0.737 5.087 4.350 0.001 0.000 0.279 96 T C 1.860 176.763 174.700 0.338 0.000 0.989 96 T CA 0.747 63.028 62.100 0.302 0.000 0.968 96 T CB 1.394 70.376 68.868 0.189 0.000 1.135 96 T HN 2.105 nan 8.240 nan 0.000 0.562 97 A N 0.357 123.334 122.820 0.261 0.000 1.940 97 A HA -0.101 4.220 4.320 0.001 0.000 0.219 97 A C 1.753 179.462 177.584 0.208 0.000 1.176 97 A CA 2.165 54.358 52.037 0.261 0.000 0.631 97 A CB -1.371 17.794 19.000 0.276 0.000 0.814 97 A HN 0.935 nan 8.150 nan 0.000 0.446 98 D N -0.040 120.460 120.400 0.167 0.000 2.178 98 D HA -0.088 4.552 4.640 0.001 0.000 0.202 98 D C 1.293 177.664 176.300 0.118 0.000 0.974 98 D CA 1.173 55.247 54.000 0.124 0.000 0.841 98 D CB -0.113 40.748 40.800 0.101 0.000 0.953 98 D HN 0.399 nan 8.370 nan 0.000 0.478 99 D N 0.359 120.860 120.400 0.168 0.000 2.097 99 D HA -0.103 4.537 4.640 0.001 0.000 0.197 99 D C 2.161 178.509 176.300 0.080 0.000 0.984 99 D CA 0.353 54.473 54.000 0.201 0.000 0.826 99 D CB -0.287 40.745 40.800 0.387 0.000 0.973 99 D HN 0.185 nan 8.370 nan 0.000 0.460 100 L N 0.715 121.872 121.223 -0.111 0.000 2.042 100 L HA -0.217 4.124 4.340 0.001 0.000 0.210 100 L C 2.217 178.977 176.870 -0.182 0.000 1.076 100 L CA 1.480 56.005 54.840 -0.524 0.000 0.749 100 L CB -0.067 41.430 42.059 -0.938 0.000 0.893 100 L HN -0.022 nan 8.230 nan 0.000 0.432 101 K N -0.551 119.862 120.400 0.021 0.000 2.057 101 K HA -0.125 4.195 4.320 0.001 0.000 0.206 101 K C 2.103 178.710 176.600 0.011 0.000 1.050 101 K CA 1.302 57.627 56.287 0.063 0.000 0.935 101 K CB -0.219 32.329 32.500 0.080 0.000 0.715 101 K HN 0.376 nan 8.250 nan 0.000 0.439 102 A N 1.189 124.024 122.820 0.025 0.000 1.940 102 A HA -0.178 4.143 4.320 0.001 0.000 0.219 102 A C 2.061 179.649 177.584 0.006 0.000 1.176 102 A CA 1.288 53.342 52.037 0.029 0.000 0.631 102 A CB -0.551 18.484 19.000 0.058 0.000 0.814 102 A HN 0.260 nan 8.150 nan 0.000 0.446 103 L N -0.246 120.966 121.223 -0.018 0.000 1.994 103 L HA -0.114 4.226 4.340 0.001 0.000 0.208 103 L C 2.582 179.399 176.870 -0.089 0.000 1.071 103 L CA 2.685 57.507 54.840 -0.031 0.000 0.745 103 L CB -0.982 41.038 42.059 -0.066 0.000 0.892 103 L HN 0.327 nan 8.230 nan 0.000 0.431 104 S N -1.186 114.426 115.700 -0.147 0.000 2.370 104 S HA -0.219 4.252 4.470 0.001 0.000 0.226 104 S C 2.255 176.625 174.600 -0.382 0.000 1.033 104 S CA 1.817 59.835 58.200 -0.304 0.000 1.011 104 S CB -0.589 62.488 63.200 -0.205 0.000 0.852 104 S HN 0.802 nan 8.310 nan 0.000 0.457 105 S N 0.701 116.321 115.700 -0.133 0.000 2.436 105 S HA 0.213 4.684 4.470 0.001 0.000 0.228 105 S C 1.993 176.598 174.600 0.008 0.000 1.014 105 S CA 0.922 59.110 58.200 -0.021 0.000 0.950 105 S CB -0.505 62.714 63.200 0.032 0.000 0.784 105 S HN 0.602 nan 8.310 nan 0.000 0.504 106 A N 1.755 124.573 122.820 -0.005 0.000 1.930 106 A HA 0.234 4.554 4.320 0.001 0.000 0.217 106 A C 2.256 179.859 177.584 0.032 0.000 1.175 106 A CA 1.090 53.142 52.037 0.025 0.000 0.627 106 A CB -0.732 18.289 19.000 0.034 0.000 0.815 106 A HN 0.549 nan 8.150 nan 0.000 0.443 107 L N -1.437 119.783 121.223 -0.005 0.000 1.994 107 L HA -0.209 4.131 4.340 0.001 0.000 0.208 107 L C 2.555 179.506 176.870 0.135 0.000 1.071 107 L CA 1.745 56.607 54.840 0.036 0.000 0.745 107 L CB -0.771 41.283 42.059 -0.008 0.000 0.892 107 L HN 0.538 nan 8.230 nan 0.000 0.431 108 H N -1.066 118.045 119.070 0.067 0.000 2.387 108 H HA -0.232 4.325 4.556 0.001 0.000 0.299 108 H C 2.164 177.514 175.328 0.037 0.000 1.099 108 H CA 1.188 57.273 56.048 0.062 0.000 1.315 108 H CB 0.215 30.012 29.762 0.060 0.000 1.380 108 H HN 0.377 nan 8.280 nan 0.000 0.513 109 E N 1.346 121.640 120.200 0.155 0.000 2.153 109 E HA -0.133 4.218 4.350 0.001 0.000 0.194 109 E C 1.664 178.300 176.600 0.059 0.000 0.988 109 E CA 0.758 57.209 56.400 0.086 0.000 0.811 109 E CB 0.188 29.926 29.700 0.064 0.000 0.746 109 E HN 0.361 nan 8.360 nan 0.000 0.466 110 R N -1.087 119.450 120.500 0.062 0.000 2.334 110 R HA 0.150 4.490 4.340 0.001 0.000 0.220 110 R C 0.818 177.128 176.300 0.017 0.000 0.917 110 R CA 0.476 56.597 56.100 0.035 0.000 1.073 110 R CB 0.614 30.937 30.300 0.039 0.000 1.056 110 R HN 0.272 nan 8.270 nan 0.000 0.506 111 G N 1.400 110.215 108.800 0.025 0.000 2.160 111 G HA2 -0.303 3.657 3.960 0.001 0.000 0.251 111 G HA3 -0.303 3.657 3.960 0.001 0.000 0.251 111 G C 0.080 174.941 174.900 -0.065 0.000 1.008 111 G CA 0.272 45.357 45.100 -0.024 0.000 0.724 111 G HN 0.191 nan 8.290 nan 0.000 0.514 112 M N -0.852 118.764 119.600 0.027 0.000 2.598 112 M HA 0.671 5.152 4.480 0.001 0.000 0.317 112 M C -0.194 176.234 176.300 0.214 0.000 1.201 112 M CA -1.003 54.309 55.300 0.019 0.000 0.971 112 M CB 1.341 33.980 32.600 0.066 0.000 1.657 112 M HN 0.017 nan 8.290 nan 0.000 0.470 113 Y N 1.016 121.344 120.300 0.047 0.000 2.457 113 Y HA 0.599 5.150 4.550 0.001 0.000 0.333 113 Y C -0.559 175.463 175.900 0.202 0.000 1.119 113 Y CA -1.551 56.602 58.100 0.088 0.000 1.143 113 Y CB 1.201 39.517 38.460 -0.240 0.000 1.230 113 Y HN 0.412 nan 8.280 nan 0.000 0.469 114 L N 4.353 125.819 121.223 0.406 0.000 2.313 114 L HA 0.594 4.935 4.340 0.001 0.000 0.283 114 L C -0.777 176.317 176.870 0.373 0.000 1.013 114 L CA -0.651 54.365 54.840 0.294 0.000 0.816 114 L CB 1.036 43.160 42.059 0.108 0.000 1.236 114 L HN 0.718 nan 8.230 nan 0.000 0.419 115 M N 5.607 125.423 119.600 0.360 0.000 2.383 115 M HA 0.691 5.172 4.480 0.001 0.000 0.325 115 M C -1.794 174.601 176.300 0.157 0.000 1.092 115 M CA -0.578 54.862 55.300 0.232 0.000 0.961 115 M CB 1.741 34.428 32.600 0.146 0.000 1.672 115 M HN 0.404 nan 8.290 nan 0.000 0.438 116 V N 3.505 123.458 119.914 0.065 0.000 2.604 116 V HA 0.346 4.466 4.120 0.001 0.000 0.305 116 V C -0.552 175.562 176.094 0.033 0.000 1.043 116 V CA -0.791 61.564 62.300 0.091 0.000 0.888 116 V CB 1.876 33.735 31.823 0.060 0.000 0.995 116 V HN 0.795 nan 8.190 nan 0.000 0.429 117 D N 3.063 123.541 120.400 0.129 0.000 2.351 117 D HA 0.428 5.069 4.640 0.001 0.000 0.251 117 D C -0.448 175.936 176.300 0.139 0.000 1.137 117 D CA 0.269 54.332 54.000 0.104 0.000 0.879 117 D CB 1.666 42.659 40.800 0.321 0.000 1.181 117 D HN 0.474 nan 8.370 nan 0.000 0.448 118 V N 0.867 120.847 119.914 0.110 0.000 2.876 118 V HA 0.682 4.803 4.120 0.001 0.000 0.312 118 V C -0.514 175.619 176.094 0.064 0.000 1.085 118 V CA -0.922 61.486 62.300 0.181 0.000 0.945 118 V CB 1.903 33.928 31.823 0.336 0.000 1.017 118 V HN 0.210 nan 8.190 nan 0.000 0.428 119 V N 2.751 122.654 119.914 -0.019 0.000 2.448 119 V HA 0.780 4.901 4.120 0.001 0.000 0.295 119 V C 0.818 176.616 176.094 -0.493 0.000 1.025 119 V CA 0.536 62.727 62.300 -0.182 0.000 0.859 119 V CB 1.160 32.894 31.823 -0.148 0.000 0.988 119 V HN 1.292 nan 8.190 nan 0.000 0.431 120 A N 3.463 125.923 122.820 -0.599 0.000 2.287 120 A HA 0.130 4.451 4.320 0.001 0.000 0.214 120 A C 1.651 178.907 177.584 -0.547 0.000 1.228 120 A CA 0.647 52.035 52.037 -1.083 0.000 0.939 120 A CB -0.202 18.076 19.000 -1.204 0.000 0.992 120 A HN 0.772 nan 8.150 nan 0.000 0.502 121 N N 0.643 119.110 118.700 -0.388 0.000 2.142 121 N HA -0.091 4.650 4.740 0.001 0.000 0.186 121 N C 0.528 175.978 175.510 -0.101 0.000 1.023 121 N CA 1.747 54.673 53.050 -0.206 0.000 0.852 121 N CB -0.037 38.453 38.487 0.004 0.000 0.998 121 N HN 0.735 nan 8.380 nan 0.000 0.424 122 H N -4.023 115.015 119.070 -0.052 0.000 2.932 122 H HA 0.293 4.849 4.556 0.001 0.000 0.307 122 H C -0.802 174.531 175.328 0.009 0.000 1.391 122 H CA -0.967 55.043 56.048 -0.063 0.000 1.130 122 H CB 0.428 30.151 29.762 -0.066 0.000 1.836 122 H HN -0.177 nan 8.280 nan 0.000 0.522 123 M N 0.492 120.167 119.600 0.125 0.000 2.799 123 M HA 0.568 5.049 4.480 0.001 0.000 0.274 123 M C 0.655 177.090 176.300 0.225 0.000 1.137 123 M CA -0.447 54.898 55.300 0.075 0.000 0.897 123 M CB 1.504 33.849 32.600 -0.424 0.000 1.567 123 M HN 0.843 nan 8.290 nan 0.000 0.536 124 G N -0.461 108.528 108.800 0.316 0.000 2.563 124 G HA2 0.648 4.608 3.960 0.001 0.000 0.302 124 G HA3 0.648 4.608 3.960 0.001 0.000 0.302 124 G C -2.499 172.612 174.900 0.351 0.000 1.301 124 G CA -0.181 45.080 45.100 0.268 0.000 0.965 124 G HN 0.542 nan 8.290 nan 0.000 0.480 125 Y N 0.787 121.095 120.300 0.014 0.000 2.442 125 Y HA 0.385 4.936 4.550 0.001 0.000 0.330 125 Y C -1.183 174.656 175.900 -0.102 0.000 1.100 125 Y CA -1.170 56.941 58.100 0.019 0.000 1.034 125 Y CB 2.500 40.996 38.460 0.060 0.000 1.285 125 Y HN 0.547 nan 8.280 nan 0.000 0.440 126 D N 3.680 123.659 120.400 -0.702 0.000 2.455 126 D HA 0.496 5.136 4.640 0.001 0.000 0.234 126 D C 0.137 176.220 176.300 -0.362 0.000 1.224 126 D CA 1.635 55.355 54.000 -0.465 0.000 0.999 126 D CB -0.277 40.290 40.800 -0.389 0.000 1.072 126 D HN 0.968 nan 8.370 nan 0.000 0.514 127 G N 1.068 109.814 108.800 -0.090 0.000 2.369 127 G HA2 0.440 4.401 3.960 0.001 0.000 0.293 127 G HA3 0.440 4.401 3.960 0.001 0.000 0.293 127 G C -0.975 173.997 174.900 0.119 0.000 1.301 127 G CA -0.352 44.768 45.100 0.033 0.000 0.913 127 G HN 0.505 nan 8.290 nan 0.000 0.540 128 A N -0.432 122.421 122.820 0.055 0.000 2.425 128 A HA 0.611 4.932 4.320 0.001 0.000 0.242 128 A C 1.866 179.364 177.584 -0.144 0.000 1.077 128 A CA 1.333 53.369 52.037 -0.001 0.000 0.781 128 A CB 0.341 19.311 19.000 -0.051 0.000 1.020 128 A HN 2.344 nan 8.150 nan 0.000 0.494 129 G N 0.533 109.099 108.800 -0.389 0.000 2.440 129 G HA2 -0.187 3.774 3.960 0.001 0.000 0.218 129 G HA3 -0.187 3.774 3.960 0.001 0.000 0.218 129 G C 1.624 175.842 174.900 -1.136 0.000 1.154 129 G CA 1.377 45.837 45.100 -1.066 0.000 0.767 129 G HN 0.713 nan 8.290 nan 0.000 0.552 130 S N 0.410 115.524 115.700 -0.976 0.000 2.399 130 S HA -0.111 4.360 4.470 0.001 0.000 0.231 130 S C 2.359 176.764 174.600 -0.325 0.000 1.022 130 S CA 1.439 59.308 58.200 -0.552 0.000 0.983 130 S CB -0.185 62.828 63.200 -0.312 0.000 0.803 130 S HN 0.568 nan 8.310 nan 0.000 0.480 131 S N 1.053 116.586 115.700 -0.279 0.000 2.634 131 S HA 0.178 4.648 4.470 0.001 0.000 0.221 131 S C 0.378 174.814 174.600 -0.273 0.000 0.952 131 S CA -0.481 57.609 58.200 -0.183 0.000 0.930 131 S CB -0.336 62.813 63.200 -0.086 0.000 0.780 131 S HN 0.096 nan 8.310 nan 0.000 0.498 132 V N 2.820 122.438 119.914 -0.493 0.000 2.763 132 V HA 0.162 4.282 4.120 0.001 0.000 0.306 132 V C 0.302 175.898 176.094 -0.829 0.000 1.059 132 V CA -0.030 61.664 62.300 -1.010 0.000 1.138 132 V CB 0.839 31.963 31.823 -1.166 0.000 0.940 132 V HN 0.476 nan 8.190 nan 0.000 0.489 133 D N 3.284 123.185 120.400 -0.832 0.000 2.454 133 D HA 0.227 4.868 4.640 0.001 0.000 0.225 133 D C 0.342 176.329 176.300 -0.520 0.000 1.081 133 D CA -0.315 53.429 54.000 -0.427 0.000 0.864 133 D CB 0.575 41.277 40.800 -0.163 0.000 1.040 133 D HN 0.464 nan 8.370 nan 0.000 0.517 134 Y N 1.465 121.643 120.300 -0.204 0.000 2.574 134 Y HA -0.140 4.411 4.550 0.001 0.000 0.294 134 Y C 2.596 178.487 175.900 -0.015 0.000 1.142 134 Y CA 0.997 59.057 58.100 -0.066 0.000 1.314 134 Y CB -0.150 38.365 38.460 0.090 0.000 0.991 134 Y HN 0.435 nan 8.280 nan 0.000 0.555 135 S N -0.443 115.292 115.700 0.059 0.000 2.447 135 S HA -0.143 4.328 4.470 0.001 0.000 0.233 135 S C 1.998 176.587 174.600 -0.019 0.000 1.006 135 S CA 0.974 59.211 58.200 0.061 0.000 0.957 135 S CB -1.196 62.031 63.200 0.045 0.000 0.773 135 S HN 0.366 nan 8.310 nan 0.000 0.507 136 V N -2.101 117.689 119.914 -0.208 0.000 2.970 136 V HA 0.290 4.411 4.120 0.001 0.000 0.260 136 V C 0.482 176.504 176.094 -0.120 0.000 1.100 136 V CA 0.024 62.198 62.300 -0.210 0.000 1.122 136 V CB -1.418 30.224 31.823 -0.302 0.000 0.721 136 V HN 0.294 nan 8.190 nan 0.000 0.483 137 F N 1.606 121.670 119.950 0.189 0.000 2.399 137 F HA 0.624 5.152 4.527 0.001 0.000 0.342 137 F C 0.500 176.395 175.800 0.158 0.000 1.106 137 F CA -1.020 57.111 58.000 0.217 0.000 1.196 137 F CB 0.824 40.033 39.000 0.349 0.000 1.163 137 F HN -0.037 nan 8.300 nan 0.000 0.547 138 K N 5.026 125.605 120.400 0.297 0.000 2.507 138 K HA 0.349 4.670 4.320 0.001 0.000 0.252 138 K C -2.497 174.073 176.600 -0.049 0.000 0.943 138 K CA -1.682 54.677 56.287 0.119 0.000 0.808 138 K CB 2.460 35.047 32.500 0.146 0.000 1.142 138 K HN 0.215 nan 8.250 nan 0.000 0.426 139 P HA 0.146 nan 4.420 nan 0.000 0.267 139 P C -0.215 176.853 177.300 -0.386 0.000 1.289 139 P CA -0.141 62.762 63.100 -0.329 0.000 0.866 139 P CB 0.101 31.566 31.700 -0.392 0.000 1.309 140 F N 0.766 120.583 119.950 -0.222 0.000 2.666 140 F HA 0.210 4.737 4.527 0.001 0.000 0.362 140 F C 1.572 177.562 175.800 0.315 0.000 1.190 140 F CA 0.085 57.816 58.000 -0.448 0.000 1.328 140 F CB -0.802 37.847 39.000 -0.584 0.000 1.682 140 F HN -0.163 nan 8.300 nan 0.000 0.623 141 S N 0.045 116.041 115.700 0.494 0.000 2.881 141 S HA 0.075 4.546 4.470 0.001 0.000 0.228 141 S C 0.439 175.345 174.600 0.511 0.000 0.965 141 S CA 0.204 58.695 58.200 0.485 0.000 0.998 141 S CB -0.368 63.010 63.200 0.296 0.000 0.795 141 S HN 0.354 nan 8.310 nan 0.000 0.518 142 S N 0.120 116.213 115.700 0.656 0.000 2.556 142 S HA 0.185 4.656 4.470 0.001 0.000 0.271 142 S C 0.672 175.358 174.600 0.143 0.000 1.135 142 S CA -0.950 57.434 58.200 0.307 0.000 0.858 142 S CB 1.666 64.909 63.200 0.071 0.000 1.114 142 S HN 0.469 nan 8.310 nan 0.000 0.468 143 Q N 0.592 120.197 119.800 -0.325 0.000 2.364 143 Q HA -0.101 4.239 4.340 0.001 0.000 0.207 143 Q C -0.026 175.874 176.000 -0.167 0.000 0.970 143 Q CA 1.358 56.694 55.803 -0.778 0.000 0.888 143 Q CB -0.277 27.883 28.738 -0.965 0.000 0.951 143 Q HN 0.547 nan 8.270 nan 0.000 0.469 144 D N 0.392 120.698 120.400 -0.158 0.000 2.264 144 D HA -0.104 4.536 4.640 0.001 0.000 0.208 144 D C 0.792 176.960 176.300 -0.220 0.000 0.966 144 D CA 0.794 54.678 54.000 -0.193 0.000 0.864 144 D CB -0.055 40.587 40.800 -0.264 0.000 0.933 144 D HN 0.417 nan 8.370 nan 0.000 0.499 145 Y N -0.734 119.530 120.300 -0.059 0.000 2.583 145 Y HA 0.069 4.620 4.550 0.001 0.000 0.293 145 Y C 0.488 176.036 175.900 -0.587 0.000 1.157 145 Y CA 0.183 58.083 58.100 -0.333 0.000 1.315 145 Y CB -0.224 37.947 38.460 -0.481 0.000 1.021 145 Y HN -0.187 nan 8.280 nan 0.000 0.536 146 F N -2.083 117.807 119.950 -0.100 0.000 2.575 146 F HA 0.400 4.928 4.527 0.001 0.000 0.330 146 F C 0.267 176.047 175.800 -0.034 0.000 1.056 146 F CA -1.790 56.141 58.000 -0.114 0.000 0.964 146 F CB 0.640 39.651 39.000 0.018 0.000 1.258 146 F HN -0.201 nan 8.300 nan 0.000 0.484 147 H N 0.795 120.049 119.070 0.308 0.000 2.652 147 H HA 0.214 4.771 4.556 0.001 0.000 0.349 147 H C -2.129 173.461 175.328 0.438 0.000 1.099 147 H CA -1.436 54.788 56.048 0.293 0.000 1.417 147 H CB 0.347 30.274 29.762 0.276 0.000 1.457 147 H HN 0.165 nan 8.280 nan 0.000 0.568 148 P HA -0.162 nan 4.420 nan 0.000 0.265 148 P C -0.460 176.932 177.300 0.153 0.000 1.187 148 P CA 0.222 63.462 63.100 0.233 0.000 0.766 148 P CB 0.219 31.976 31.700 0.095 0.000 0.820 149 F N 5.179 124.988 119.950 -0.235 0.000 2.571 149 F HA 0.240 4.768 4.527 0.001 0.000 0.384 149 F C 0.163 175.530 175.800 -0.723 0.000 1.058 149 F CA -0.102 57.351 58.000 -0.911 0.000 1.200 149 F CB -0.331 38.078 39.000 -0.985 0.000 1.077 149 F HN 0.487 nan 8.300 nan 0.000 0.558 150 c N 4.769 122.439 118.600 -1.550 0.000 3.171 150 c HA 0.640 5.211 4.570 0.001 0.000 0.336 150 c C -0.995 172.531 174.090 -0.939 0.000 1.198 150 c CA -1.512 54.075 56.329 -1.235 0.000 1.319 150 c CB 0.301 42.487 42.510 -0.540 0.000 1.682 150 c HN 0.700 nan 8.230 nan 0.000 0.497 151 F N 0.963 120.588 119.950 -0.542 0.000 2.408 151 F HA 0.690 5.217 4.527 0.001 0.000 0.325 151 F C 0.693 176.408 175.800 -0.142 0.000 1.082 151 F CA -1.535 56.338 58.000 -0.212 0.000 1.032 151 F CB 0.844 39.768 39.000 -0.127 0.000 1.259 151 F HN 0.485 nan 8.300 nan 0.000 0.503 152 I N 2.446 123.100 120.570 0.140 0.000 2.301 152 I HA 0.116 4.287 4.170 0.001 0.000 0.292 152 I C 0.861 176.956 176.117 -0.036 0.000 1.046 152 I CA 0.007 61.271 61.300 -0.061 0.000 1.282 152 I CB 0.825 38.662 38.000 -0.272 0.000 1.409 152 I HN 0.570 nan 8.210 nan 0.000 0.484 153 Q N 3.503 123.281 119.800 -0.037 0.000 2.226 153 Q HA 0.066 4.407 4.340 0.001 0.000 0.199 153 Q C 0.458 176.472 176.000 0.023 0.000 0.945 153 Q CA 0.716 56.525 55.803 0.011 0.000 0.861 153 Q CB 0.120 28.858 28.738 0.000 0.000 0.953 153 Q HN 0.521 nan 8.270 nan 0.000 0.490 154 N N -0.068 118.615 118.700 -0.028 0.000 2.564 154 N HA 0.085 4.825 4.740 0.001 0.000 0.248 154 N C -0.646 174.844 175.510 -0.032 0.000 0.986 154 N CA -0.203 52.851 53.050 0.006 0.000 0.921 154 N CB 0.411 38.894 38.487 -0.007 0.000 1.136 154 N HN -0.002 nan 8.380 nan 0.000 0.509 155 Y N 0.975 121.274 120.300 -0.002 0.000 2.632 155 Y HA 0.045 4.596 4.550 0.001 0.000 0.301 155 Y C 1.296 177.175 175.900 -0.034 0.000 1.172 155 Y CA 0.615 58.708 58.100 -0.012 0.000 1.328 155 Y CB 0.477 38.917 38.460 -0.034 0.000 1.016 155 Y HN 0.518 nan 8.280 nan 0.000 0.529 156 E N -0.677 119.567 120.200 0.072 0.000 2.452 156 E HA -0.037 4.314 4.350 0.001 0.000 0.197 156 E C -0.062 176.557 176.600 0.031 0.000 1.022 156 E CA 0.302 56.725 56.400 0.038 0.000 0.890 156 E CB 0.064 29.779 29.700 0.026 0.000 0.918 156 E HN 0.260 nan 8.360 nan 0.000 0.496 157 D N 1.124 121.529 120.400 0.009 0.000 2.411 157 D HA 0.017 4.658 4.640 0.001 0.000 0.225 157 D C 0.943 177.243 176.300 -0.000 0.000 1.156 157 D CA -0.204 53.796 54.000 -0.000 0.000 0.874 157 D CB 1.229 42.015 40.800 -0.022 0.000 1.034 157 D HN -0.261 nan 8.370 nan 0.000 0.502 158 Q N 2.123 121.945 119.800 0.036 0.000 2.226 158 Q HA -0.100 4.240 4.340 0.001 0.000 0.204 158 Q C 1.458 177.468 176.000 0.017 0.000 0.975 158 Q CA 1.558 57.395 55.803 0.057 0.000 0.866 158 Q CB -0.115 28.681 28.738 0.097 0.000 0.915 158 Q HN 0.476 nan 8.270 nan 0.000 0.440 159 T N -0.001 114.550 114.554 -0.005 0.000 2.737 159 T HA -0.154 4.197 4.350 0.001 0.000 0.265 159 T C 1.582 176.249 174.700 -0.054 0.000 1.038 159 T CA 1.415 63.499 62.100 -0.027 0.000 1.144 159 T CB -0.115 68.735 68.868 -0.030 0.000 0.866 159 T HN 0.398 nan 8.240 nan 0.000 0.434 160 Q N 0.090 119.853 119.800 -0.062 0.000 2.096 160 Q HA -0.099 4.241 4.340 0.001 0.000 0.204 160 Q C 2.471 178.426 176.000 -0.073 0.000 0.982 160 Q CA 1.247 57.000 55.803 -0.083 0.000 0.850 160 Q CB -0.287 28.388 28.738 -0.104 0.000 0.901 160 Q HN 0.310 nan 8.270 nan 0.000 0.422 161 V N 0.826 120.693 119.914 -0.079 0.000 2.392 161 V HA -0.285 3.836 4.120 0.001 0.000 0.249 161 V C 1.760 177.917 176.094 0.105 0.000 1.059 161 V CA 2.074 64.349 62.300 -0.042 0.000 1.051 161 V CB -0.351 31.425 31.823 -0.079 0.000 0.658 161 V HN 0.374 nan 8.190 nan 0.000 0.455 162 E N -0.709 119.522 120.200 0.052 0.000 2.140 162 E HA -0.106 4.245 4.350 0.001 0.000 0.191 162 E C 1.595 178.197 176.600 0.003 0.000 0.973 162 E CA 1.015 57.459 56.400 0.074 0.000 0.829 162 E CB 0.041 29.768 29.700 0.045 0.000 0.781 162 E HN 0.580 nan 8.360 nan 0.000 0.466 163 D N -0.660 119.657 120.400 -0.138 0.000 2.366 163 D HA 0.053 4.694 4.640 0.001 0.000 0.205 163 D C 0.359 176.548 176.300 -0.185 0.000 1.022 163 D CA 0.164 53.878 54.000 -0.477 0.000 0.868 163 D CB 0.135 40.599 40.800 -0.560 0.000 0.953 163 D HN 0.069 nan 8.370 nan 0.000 0.514 164 c N 0.520 119.119 118.600 -0.001 0.000 2.328 164 c HA 0.386 4.957 4.570 0.001 0.000 0.378 164 c C 0.017 174.316 174.090 0.349 0.000 1.249 164 c CA -0.870 55.539 56.329 0.133 0.000 2.204 164 c CB 0.445 42.951 42.510 -0.006 0.000 2.218 164 c HN 0.209 nan 8.230 nan 0.000 0.564 165 W N 1.341 122.675 121.300 0.056 0.000 2.365 165 W HA 0.615 5.276 4.660 0.001 0.000 0.316 165 W C 0.188 176.801 176.519 0.157 0.000 1.164 165 W CA -0.560 56.876 57.345 0.151 0.000 1.204 165 W CB -0.106 29.511 29.460 0.261 0.000 1.213 165 W HN 0.424 nan 8.180 nan 0.000 0.539 166 L N 2.314 123.657 121.223 0.199 0.000 2.479 166 L HA 0.643 4.984 4.340 0.001 0.000 0.248 166 L C 1.375 178.345 176.870 0.167 0.000 1.205 166 L CA 0.765 55.645 54.840 0.067 0.000 0.817 166 L CB 0.041 41.974 42.059 -0.209 0.000 1.162 166 L HN 0.722 nan 8.230 nan 0.000 0.486 167 G N 0.692 109.535 108.800 0.072 0.000 2.542 167 G HA2 -0.169 3.792 3.960 0.001 0.000 0.235 167 G HA3 -0.169 3.792 3.960 0.001 0.000 0.235 167 G C -1.220 173.640 174.900 -0.067 0.000 1.286 167 G CA 0.095 45.236 45.100 0.068 0.000 0.904 167 G HN 0.958 nan 8.290 nan 0.000 0.577 168 D N -2.359 118.017 120.400 -0.040 0.000 3.236 168 D HA 0.298 4.939 4.640 0.001 0.000 0.325 168 D C 1.278 177.630 176.300 0.087 0.000 1.352 168 D CA 0.171 53.936 54.000 -0.392 0.000 0.979 168 D CB -0.565 40.094 40.800 -0.233 0.000 1.410 168 D HN 0.594 nan 8.370 nan 0.000 0.588 169 N N -0.847 117.904 118.700 0.085 0.000 2.459 169 N HA -0.087 4.654 4.740 0.001 0.000 0.181 169 N C 0.739 176.281 175.510 0.053 0.000 1.046 169 N CA 1.034 54.199 53.050 0.192 0.000 0.904 169 N CB -0.192 38.381 38.487 0.145 0.000 0.964 169 N HN 0.341 nan 8.380 nan 0.000 0.444 170 T N 0.702 115.235 114.554 -0.035 0.000 2.904 170 T HA 0.108 4.459 4.350 0.001 0.000 0.243 170 T C 0.829 175.402 174.700 -0.213 0.000 1.024 170 T CA 0.357 62.335 62.100 -0.204 0.000 1.158 170 T CB 0.273 68.849 68.868 -0.488 0.000 0.867 170 T HN -0.051 nan 8.240 nan 0.000 0.429 171 V N 3.175 123.004 119.914 -0.142 0.000 2.376 171 V HA 0.516 4.636 4.120 0.001 0.000 0.287 171 V C -0.295 175.785 176.094 -0.023 0.000 1.015 171 V CA -0.949 61.240 62.300 -0.186 0.000 0.834 171 V CB 1.334 32.915 31.823 -0.402 0.000 1.001 171 V HN 0.527 nan 8.190 nan 0.000 0.428 172 S N 6.059 121.805 115.700 0.076 0.000 2.565 172 S HA 0.803 5.273 4.470 0.001 0.000 0.290 172 S C -0.696 174.017 174.600 0.187 0.000 1.150 172 S CA -0.769 57.611 58.200 0.299 0.000 1.058 172 S CB 1.540 65.032 63.200 0.487 0.000 1.032 172 S HN 0.505 nan 8.310 nan 0.000 0.510 173 L N 2.034 123.370 121.223 0.188 0.000 2.408 173 L HA 0.416 4.756 4.340 0.001 0.000 0.257 173 L C -2.713 173.913 176.870 -0.408 0.000 1.053 173 L CA -2.179 52.611 54.840 -0.084 0.000 0.922 173 L CB 1.084 42.986 42.059 -0.261 0.000 1.261 173 L HN 0.409 nan 8.230 nan 0.000 0.458 174 P HA -0.037 nan 4.420 nan 0.000 0.262 174 P C -0.656 176.259 177.300 -0.642 0.000 1.199 174 P CA 0.210 62.459 63.100 -1.419 0.000 0.763 174 P CB 0.509 31.641 31.700 -0.947 0.000 0.790 175 D N 3.215 123.110 120.400 -0.842 0.000 2.313 175 D HA 0.231 4.872 4.640 0.001 0.000 0.239 175 D C -0.260 175.991 176.300 -0.083 0.000 1.142 175 D CA -0.374 53.487 54.000 -0.232 0.000 0.847 175 D CB 0.191 40.928 40.800 -0.105 0.000 1.082 175 D HN 0.165 nan 8.370 nan 0.000 0.480 176 L N 3.151 124.205 121.223 -0.283 0.000 2.456 176 L HA 0.133 4.474 4.340 0.001 0.000 0.272 176 L C 0.707 177.195 176.870 -0.636 0.000 1.189 176 L CA -0.035 54.427 54.840 -0.630 0.000 0.846 176 L CB 0.500 42.125 42.059 -0.724 0.000 1.111 176 L HN 0.465 nan 8.230 nan 0.000 0.475 177 D N 1.466 121.410 120.400 -0.759 0.000 2.470 177 D HA 0.003 4.643 4.640 0.001 0.000 0.226 177 D C 1.097 177.145 176.300 -0.421 0.000 1.196 177 D CA -0.137 53.347 54.000 -0.860 0.000 0.979 177 D CB 0.651 41.109 40.800 -0.569 0.000 1.059 177 D HN 0.620 nan 8.370 nan 0.000 0.515 178 T N -0.833 113.522 114.554 -0.332 0.000 3.160 178 T HA -0.108 4.242 4.350 0.001 0.000 0.257 178 T C 1.591 176.276 174.700 -0.025 0.000 1.147 178 T CA 0.816 62.788 62.100 -0.214 0.000 1.064 178 T CB -0.325 68.234 68.868 -0.515 0.000 0.949 178 T HN 0.340 nan 8.240 nan 0.000 0.526 179 T N -1.344 113.196 114.554 -0.022 0.000 3.100 179 T HA 0.202 4.552 4.350 0.001 0.000 0.253 179 T C 0.654 175.361 174.700 0.012 0.000 1.118 179 T CA -0.340 61.778 62.100 0.030 0.000 1.058 179 T CB -0.175 68.725 68.868 0.053 0.000 0.953 179 T HN 0.303 nan 8.240 nan 0.000 0.515 180 K N 1.893 122.278 120.400 -0.024 0.000 2.205 180 K HA 0.215 4.536 4.320 0.001 0.000 0.279 180 K C 0.211 176.810 176.600 -0.002 0.000 1.027 180 K CA -0.470 55.806 56.287 -0.018 0.000 0.932 180 K CB 1.174 33.651 32.500 -0.037 0.000 1.032 180 K HN 0.097 nan 8.250 nan 0.000 0.466 181 D N 1.356 121.759 120.400 0.004 0.000 2.178 181 D HA -0.128 4.513 4.640 0.001 0.000 0.201 181 D C 1.681 177.983 176.300 0.004 0.000 0.980 181 D CA 1.247 55.247 54.000 -0.001 0.000 0.842 181 D CB 0.303 41.108 40.800 0.009 0.000 0.948 181 D HN 0.317 nan 8.370 nan 0.000 0.472 182 V N -0.019 119.918 119.914 0.038 0.000 2.427 182 V HA -0.169 3.951 4.120 0.001 0.000 0.248 182 V C 2.621 178.761 176.094 0.077 0.000 1.051 182 V CA 0.867 63.217 62.300 0.082 0.000 1.048 182 V CB -0.978 30.962 31.823 0.196 0.000 0.666 182 V HN -0.006 nan 8.190 nan 0.000 0.456 183 V N 0.054 119.999 119.914 0.051 0.000 2.323 183 V HA -0.201 3.920 4.120 0.001 0.000 0.244 183 V C 2.647 178.759 176.094 0.031 0.000 1.041 183 V CA 2.246 64.539 62.300 -0.012 0.000 1.025 183 V CB -0.724 31.004 31.823 -0.157 0.000 0.656 183 V HN 0.437 nan 8.190 nan 0.000 0.451 184 K N 0.632 121.021 120.400 -0.019 0.000 2.020 184 K HA -0.190 4.130 4.320 0.001 0.000 0.212 184 K C 2.031 178.313 176.600 -0.529 0.000 1.050 184 K CA 2.011 58.098 56.287 -0.333 0.000 0.929 184 K CB -0.472 31.787 32.500 -0.402 0.000 0.714 184 K HN 0.378 nan 8.250 nan 0.000 0.443 185 N N 0.536 119.099 118.700 -0.228 0.000 2.061 185 N HA -0.200 4.541 4.740 0.001 0.000 0.193 185 N C 1.706 177.225 175.510 0.015 0.000 1.030 185 N CA 1.404 54.403 53.050 -0.084 0.000 0.856 185 N CB -0.293 38.191 38.487 -0.005 0.000 1.023 185 N HN 0.219 nan 8.380 nan 0.000 0.424 186 E N -0.241 119.970 120.200 0.018 0.000 2.077 186 E HA -0.103 4.247 4.350 0.001 0.000 0.193 186 E C 1.856 178.579 176.600 0.205 0.000 0.989 186 E CA 1.254 57.674 56.400 0.034 0.000 0.800 186 E CB -0.351 29.254 29.700 -0.157 0.000 0.746 186 E HN 0.488 nan 8.360 nan 0.000 0.452 187 W N -0.841 120.561 121.300 0.170 0.000 2.388 187 W HA -0.204 4.457 4.660 0.001 0.000 0.294 187 W C 1.756 178.483 176.519 0.348 0.000 1.212 187 W CA 0.484 58.009 57.345 0.300 0.000 1.271 187 W CB -0.119 29.589 29.460 0.413 0.000 1.126 187 W HN 0.187 nan 8.180 nan 0.000 0.535 188 Y N -0.340 120.153 120.300 0.322 0.000 2.242 188 Y HA -0.236 4.315 4.550 0.001 0.000 0.291 188 Y C 2.214 178.183 175.900 0.115 0.000 1.137 188 Y CA 0.804 58.964 58.100 0.100 0.000 1.181 188 Y CB -1.510 36.960 38.460 0.017 0.000 0.989 188 Y HN 0.064 nan 8.280 nan 0.000 0.527 189 D N -1.120 119.476 120.400 0.327 0.000 2.149 189 D HA -0.200 4.441 4.640 0.001 0.000 0.201 189 D C 2.009 178.488 176.300 0.299 0.000 0.972 189 D CA 0.901 55.048 54.000 0.246 0.000 0.835 189 D CB -0.221 40.708 40.800 0.214 0.000 0.966 189 D HN 0.464 nan 8.370 nan 0.000 0.476 190 W N 1.166 122.589 121.300 0.205 0.000 2.381 190 W HA -0.143 4.518 4.660 0.001 0.000 0.301 190 W C 2.088 178.691 176.519 0.141 0.000 1.205 190 W CA 0.923 58.387 57.345 0.197 0.000 1.285 190 W CB -0.563 29.037 29.460 0.233 0.000 1.133 190 W HN -0.209 nan 8.180 nan 0.000 0.521 191 V N 1.365 121.496 119.914 0.361 0.000 2.407 191 V HA -0.129 3.991 4.120 0.001 0.000 0.248 191 V C 2.199 178.192 176.094 -0.169 0.000 1.055 191 V CA 2.533 64.812 62.300 -0.035 0.000 1.049 191 V CB -1.225 30.460 31.823 -0.229 0.000 0.662 191 V HN 0.335 nan 8.190 nan 0.000 0.455 192 G N -1.349 107.403 108.800 -0.079 0.000 2.418 192 G HA2 -0.238 3.723 3.960 0.001 0.000 0.217 192 G HA3 -0.238 3.723 3.960 0.001 0.000 0.217 192 G C 1.848 176.690 174.900 -0.096 0.000 1.158 192 G CA 1.107 46.160 45.100 -0.079 0.000 0.771 192 G HN 0.515 nan 8.290 nan 0.000 0.545 193 S N -0.076 115.567 115.700 -0.096 0.000 2.382 193 S HA -0.066 4.404 4.470 0.001 0.000 0.228 193 S C 2.184 176.665 174.600 -0.199 0.000 1.027 193 S CA 1.056 59.188 58.200 -0.114 0.000 0.991 193 S CB -0.196 62.974 63.200 -0.049 0.000 0.823 193 S HN 0.299 nan 8.310 nan 0.000 0.469 194 L N 1.307 122.319 121.223 -0.351 0.000 2.056 194 L HA -0.010 4.331 4.340 0.001 0.000 0.207 194 L C 2.133 178.934 176.870 -0.114 0.000 1.078 194 L CA 1.399 56.049 54.840 -0.316 0.000 0.749 194 L CB -0.468 41.146 42.059 -0.742 0.000 0.901 194 L HN 0.098 nan 8.230 nan 0.000 0.433 195 V N -0.299 119.527 119.914 -0.146 0.000 2.343 195 V HA -0.266 3.855 4.120 0.001 0.000 0.247 195 V C 2.700 178.762 176.094 -0.054 0.000 1.051 195 V CA 1.876 64.138 62.300 -0.064 0.000 1.036 195 V CB -0.731 31.053 31.823 -0.066 0.000 0.654 195 V HN 0.758 nan 8.190 nan 0.000 0.451 196 S N 0.200 115.848 115.700 -0.088 0.000 2.406 196 S HA -0.137 4.333 4.470 0.001 0.000 0.228 196 S C 1.740 176.261 174.600 -0.132 0.000 1.020 196 S CA 1.226 59.376 58.200 -0.083 0.000 0.965 196 S CB -0.552 62.605 63.200 -0.073 0.000 0.798 196 S HN 0.560 nan 8.310 nan 0.000 0.488 197 N N 1.017 119.578 118.700 -0.231 0.000 2.244 197 N HA 0.025 4.765 4.740 0.001 0.000 0.183 197 N C 0.466 175.631 175.510 -0.575 0.000 1.016 197 N CA 1.134 53.916 53.050 -0.447 0.000 0.866 197 N CB -0.384 37.687 38.487 -0.693 0.000 0.980 197 N HN 0.606 nan 8.380 nan 0.000 0.430 198 Y N -0.280 119.976 120.300 -0.073 0.000 2.531 198 Y HA 0.320 4.871 4.550 0.001 0.000 0.249 198 Y C 0.409 176.280 175.900 -0.049 0.000 1.168 198 Y CA -0.538 57.513 58.100 -0.082 0.000 1.226 198 Y CB 0.033 38.415 38.460 -0.129 0.000 1.177 198 Y HN -0.243 nan 8.280 nan 0.000 0.527 199 S N 1.182 116.919 115.700 0.062 0.000 3.608 199 S HA -0.204 4.266 4.470 0.001 0.000 0.382 199 S C 0.023 174.720 174.600 0.162 0.000 0.945 199 S CA 0.174 58.442 58.200 0.114 0.000 1.256 199 S CB -1.929 61.387 63.200 0.193 0.000 0.913 199 S HN 0.359 nan 8.310 nan 0.000 0.518 200 I N 1.482 122.118 120.570 0.109 0.000 2.474 200 I HA 0.145 4.316 4.170 0.001 0.000 0.287 200 I C 1.342 177.536 176.117 0.129 0.000 1.048 200 I CA -0.235 61.134 61.300 0.116 0.000 1.383 200 I CB 0.673 38.717 38.000 0.073 0.000 1.412 200 I HN 0.207 nan 8.210 nan 0.000 0.531 201 D N 4.153 124.662 120.400 0.183 0.000 2.305 201 D HA 0.153 4.793 4.640 0.001 0.000 0.206 201 D C 0.655 177.178 176.300 0.371 0.000 0.974 201 D CA 0.493 54.568 54.000 0.125 0.000 0.871 201 D CB 0.750 41.460 40.800 -0.151 0.000 0.947 201 D HN 0.720 nan 8.370 nan 0.000 0.516 202 G N -0.048 108.953 108.800 0.335 0.000 2.601 202 G HA2 0.543 4.504 3.960 0.001 0.000 0.291 202 G HA3 0.543 4.504 3.960 0.001 0.000 0.291 202 G C -1.818 173.015 174.900 -0.111 0.000 1.456 202 G CA -0.694 44.441 45.100 0.058 0.000 0.804 202 G HN -0.001 nan 8.290 nan 0.000 0.499 203 L N 0.735 121.798 121.223 -0.267 0.000 2.381 203 L HA 0.655 4.996 4.340 0.001 0.000 0.268 203 L C 0.098 176.701 176.870 -0.445 0.000 0.997 203 L CA -1.100 53.591 54.840 -0.247 0.000 0.818 203 L CB 2.379 44.370 42.059 -0.113 0.000 1.310 203 L HN 0.436 nan 8.230 nan 0.000 0.416 204 R N 3.684 123.885 120.500 -0.498 0.000 2.255 204 R HA 0.533 4.873 4.340 0.001 0.000 0.326 204 R C -1.208 174.829 176.300 -0.437 0.000 0.986 204 R CA -0.432 55.243 56.100 -0.709 0.000 0.847 204 R CB 0.784 30.285 30.300 -1.331 0.000 1.111 204 R HN 0.605 nan 8.270 nan 0.000 0.452 205 I N 3.721 124.035 120.570 -0.427 0.000 2.321 205 I HA 0.109 4.280 4.170 0.001 0.000 0.291 205 I C 0.440 176.372 176.117 -0.309 0.000 0.998 205 I CA -0.699 60.396 61.300 -0.341 0.000 1.227 205 I CB 1.487 39.178 38.000 -0.514 0.000 1.368 205 I HN 0.540 nan 8.210 nan 0.000 0.466 206 D N 3.941 124.254 120.400 -0.145 0.000 2.360 206 D HA 0.073 4.714 4.640 0.001 0.000 0.242 206 D C 0.574 176.818 176.300 -0.093 0.000 1.184 206 D CA 0.461 54.420 54.000 -0.068 0.000 0.930 206 D CB 0.736 41.586 40.800 0.084 0.000 1.161 206 D HN 0.762 nan 8.370 nan 0.000 0.447 207 T N -1.016 113.524 114.554 -0.024 0.000 3.669 207 T HA -0.197 4.153 4.350 0.001 0.000 0.371 207 T C 1.308 176.076 174.700 0.113 0.000 0.763 207 T CA 0.567 62.739 62.100 0.120 0.000 1.877 207 T CB -2.255 66.720 68.868 0.178 0.000 1.799 207 T HN 0.227 nan 8.240 nan 0.000 0.720 208 V N 1.101 120.939 119.914 -0.128 0.000 2.407 208 V HA -0.231 3.890 4.120 0.001 0.000 0.248 208 V C 2.630 178.686 176.094 -0.064 0.000 1.055 208 V CA 2.226 64.385 62.300 -0.234 0.000 1.049 208 V CB -0.552 30.831 31.823 -0.735 0.000 0.662 208 V HN 0.961 nan 8.190 nan 0.000 0.455 209 K N -0.838 119.435 120.400 -0.212 0.000 2.504 209 K HA -0.107 4.214 4.320 0.001 0.000 0.195 209 K C 1.472 178.038 176.600 -0.057 0.000 1.036 209 K CA 1.246 57.450 56.287 -0.139 0.000 0.984 209 K CB -0.284 32.156 32.500 -0.100 0.000 0.788 209 K HN 0.525 nan 8.250 nan 0.000 0.488 210 H N 0.405 119.560 119.070 0.143 0.000 2.526 210 H HA 0.205 4.762 4.556 0.001 0.000 0.274 210 H C -0.397 174.993 175.328 0.104 0.000 0.999 210 H CA 0.010 56.133 56.048 0.125 0.000 1.157 210 H CB 0.628 30.459 29.762 0.114 0.000 1.407 210 H HN -0.048 nan 8.280 nan 0.000 0.568 211 V N 3.260 123.306 119.914 0.221 0.000 2.588 211 V HA 0.054 4.175 4.120 0.001 0.000 0.304 211 V C 0.225 176.370 176.094 0.085 0.000 1.042 211 V CA -1.107 61.207 62.300 0.023 0.000 0.877 211 V CB 2.484 34.143 31.823 -0.273 0.000 0.996 211 V HN 0.282 nan 8.190 nan 0.000 0.425 212 Q N 4.581 124.383 119.800 0.003 0.000 2.349 212 Q HA 0.056 4.397 4.340 0.001 0.000 0.287 212 Q C 0.708 176.771 176.000 0.106 0.000 1.044 212 Q CA 0.402 56.246 55.803 0.067 0.000 0.918 212 Q CB 0.628 29.393 28.738 0.045 0.000 1.242 212 Q HN 0.707 nan 8.270 nan 0.000 0.405 213 K N 2.205 122.700 120.400 0.159 0.000 2.127 213 K HA -0.243 4.078 4.320 0.001 0.000 0.208 213 K C 1.234 177.945 176.600 0.184 0.000 1.047 213 K CA 2.297 58.714 56.287 0.217 0.000 0.927 213 K CB -0.113 32.400 32.500 0.023 0.000 0.716 213 K HN 0.858 nan 8.250 nan 0.000 0.450 214 D N -0.439 120.023 120.400 0.103 0.000 2.350 214 D HA -0.174 4.467 4.640 0.001 0.000 0.216 214 D C 1.606 177.974 176.300 0.113 0.000 0.968 214 D CA 0.402 54.459 54.000 0.095 0.000 0.894 214 D CB -0.279 40.561 40.800 0.066 0.000 0.909 214 D HN 0.219 nan 8.370 nan 0.000 0.520 215 F N 0.055 119.923 119.950 -0.136 0.000 2.206 215 F HA 0.026 4.554 4.527 0.001 0.000 0.298 215 F C 1.379 177.108 175.800 -0.118 0.000 1.090 215 F CA 0.838 58.719 58.000 -0.199 0.000 1.323 215 F CB -0.270 38.417 39.000 -0.522 0.000 1.028 215 F HN -0.070 nan 8.300 nan 0.000 0.492 216 W N 1.042 122.516 121.300 0.291 0.000 2.363 216 W HA -0.086 4.574 4.660 0.001 0.000 0.296 216 W C -0.453 176.083 176.519 0.027 0.000 1.212 216 W CA 0.733 58.175 57.345 0.162 0.000 1.260 216 W CB -2.076 27.470 29.460 0.144 0.000 1.131 216 W HN 0.059 nan 8.180 nan 0.000 0.530 217 P HA -0.168 nan 4.420 nan 0.000 0.215 217 P C 1.779 179.044 177.300 -0.058 0.000 1.157 217 P CA 2.599 65.743 63.100 0.072 0.000 0.874 217 P CB -0.483 31.247 31.700 0.050 0.000 0.790 218 G N -2.125 106.554 108.800 -0.202 0.000 2.448 218 G HA2 -0.261 3.699 3.960 0.001 0.000 0.218 218 G HA3 -0.261 3.699 3.960 0.001 0.000 0.218 218 G C 1.540 175.898 174.900 -0.904 0.000 1.135 218 G CA 0.246 45.002 45.100 -0.574 0.000 0.784 218 G HN 0.212 nan 8.290 nan 0.000 0.543 219 Y N 1.188 121.047 120.300 -0.735 0.000 2.163 219 Y HA -0.090 4.461 4.550 0.001 0.000 0.288 219 Y C 2.575 178.400 175.900 -0.124 0.000 1.136 219 Y CA 1.932 59.821 58.100 -0.352 0.000 1.147 219 Y CB -0.365 38.144 38.460 0.082 0.000 0.987 219 Y HN 0.303 nan 8.280 nan 0.000 0.509 220 N N -0.099 118.709 118.700 0.180 0.000 2.104 220 N HA -0.265 4.475 4.740 0.001 0.000 0.190 220 N C 2.057 177.549 175.510 -0.029 0.000 1.024 220 N CA 1.350 54.452 53.050 0.088 0.000 0.853 220 N CB -0.220 38.314 38.487 0.078 0.000 1.008 220 N HN 0.318 nan 8.380 nan 0.000 0.424 221 K N 0.323 120.671 120.400 -0.087 0.000 2.062 221 K HA -0.044 4.276 4.320 0.001 0.000 0.205 221 K C 1.915 178.435 176.600 -0.133 0.000 1.051 221 K CA 1.091 57.316 56.287 -0.102 0.000 0.941 221 K CB -0.134 32.294 32.500 -0.120 0.000 0.719 221 K HN 0.187 nan 8.250 nan 0.000 0.440 222 A N 1.101 123.785 122.820 -0.226 0.000 1.972 222 A HA -0.073 4.248 4.320 0.001 0.000 0.219 222 A C 2.285 179.784 177.584 -0.143 0.000 1.169 222 A CA 1.734 53.660 52.037 -0.184 0.000 0.635 222 A CB -0.675 18.197 19.000 -0.214 0.000 0.810 222 A HN 0.488 nan 8.150 nan 0.000 0.446 223 A N -1.543 121.178 122.820 -0.165 0.000 1.969 223 A HA 0.307 4.628 4.320 0.001 0.000 0.218 223 A C 2.170 179.715 177.584 -0.066 0.000 1.169 223 A CA 1.601 53.563 52.037 -0.125 0.000 0.635 223 A CB -1.146 17.794 19.000 -0.100 0.000 0.810 223 A HN 1.917 nan 8.150 nan 0.000 0.445 224 G N -1.607 107.163 108.800 -0.050 0.000 2.168 224 G HA2 -0.115 3.845 3.960 0.001 0.000 0.257 224 G HA3 -0.115 3.845 3.960 0.001 0.000 0.257 224 G C 0.371 175.276 174.900 0.008 0.000 0.997 224 G CA 1.171 46.258 45.100 -0.022 0.000 0.708 224 G HN 1.931 nan 8.290 nan 0.000 0.520 225 V N -4.363 115.562 119.914 0.019 0.000 3.181 225 V HA 0.791 4.912 4.120 0.001 0.000 0.308 225 V C 0.251 176.393 176.094 0.080 0.000 1.214 225 V CA -1.978 60.366 62.300 0.073 0.000 1.053 225 V CB 1.491 33.360 31.823 0.077 0.000 1.069 225 V HN 1.016 nan 8.190 nan 0.000 0.441 226 Y N 1.130 121.422 120.300 -0.015 0.000 2.810 226 Y HA 0.385 4.935 4.550 0.001 0.000 0.332 226 Y C 0.047 175.796 175.900 -0.252 0.000 1.243 226 Y CA -0.048 57.966 58.100 -0.143 0.000 1.537 226 Y CB 0.119 38.397 38.460 -0.304 0.000 1.265 226 Y HN 0.874 nan 8.280 nan 0.000 0.572 227 C N 8.881 127.757 119.300 -0.707 0.000 2.345 227 C HA 0.492 4.952 4.460 0.001 0.000 0.323 227 C C 0.009 174.374 174.990 -1.041 0.000 1.276 227 C CA -1.386 57.214 59.018 -0.697 0.000 1.543 227 C CB -0.276 27.273 27.740 -0.319 0.000 2.211 227 C HN 0.866 nan 8.230 nan 0.000 0.493 228 I N 3.202 123.177 120.570 -0.992 0.000 2.339 228 I HA 0.613 4.784 4.170 0.001 0.000 0.290 228 I C 0.474 176.247 176.117 -0.573 0.000 0.994 228 I CA 0.271 61.118 61.300 -0.755 0.000 1.191 228 I CB 1.006 38.642 38.000 -0.606 0.000 1.343 228 I HN 0.800 nan 8.210 nan 0.000 0.458 229 G N 5.865 114.383 108.800 -0.471 0.000 2.367 229 G HA2 0.211 4.171 3.960 0.001 0.000 0.314 229 G HA3 0.211 4.171 3.960 0.001 0.000 0.314 229 G C -0.786 173.891 174.900 -0.372 0.000 1.130 229 G CA -0.462 44.348 45.100 -0.484 0.000 0.864 229 G HN 0.700 nan 8.290 nan 0.000 0.486 230 E N 1.789 121.776 120.200 -0.355 0.000 2.089 230 E HA 0.285 4.636 4.350 0.001 0.000 0.284 230 E C -0.929 175.529 176.600 -0.236 0.000 1.023 230 E CA -0.322 55.947 56.400 -0.217 0.000 0.819 230 E CB 1.124 30.730 29.700 -0.157 0.000 1.076 230 E HN 0.092 nan 8.360 nan 0.000 0.396 231 V N 7.410 127.213 119.914 -0.186 0.000 2.284 231 V HA 0.162 4.283 4.120 0.001 0.000 0.274 231 V C 0.329 176.335 176.094 -0.147 0.000 1.023 231 V CA -0.562 61.597 62.300 -0.234 0.000 0.808 231 V CB 1.113 32.718 31.823 -0.364 0.000 1.035 231 V HN 0.700 nan 8.190 nan 0.000 0.445 232 L N 4.962 126.029 121.223 -0.260 0.000 2.448 232 L HA 0.392 4.733 4.340 0.001 0.000 0.278 232 L C -0.356 176.307 176.870 -0.345 0.000 1.201 232 L CA 0.598 55.111 54.840 -0.545 0.000 1.036 232 L CB -0.219 41.515 42.059 -0.543 0.000 1.325 232 L HN 0.653 nan 8.230 nan 0.000 0.441 233 D N 1.780 122.066 120.400 -0.190 0.000 2.886 233 D HA 0.158 4.799 4.640 0.001 0.000 0.216 233 D C 0.451 176.863 176.300 0.186 0.000 1.256 233 D CA -0.277 53.687 54.000 -0.060 0.000 0.844 233 D CB 2.194 42.916 40.800 -0.131 0.000 1.669 233 D HN 0.382 nan 8.370 nan 0.000 0.513 234 G N 1.812 110.727 108.800 0.193 0.000 2.813 234 G HA2 -0.043 3.918 3.960 0.001 0.000 0.209 234 G HA3 -0.043 3.918 3.960 0.001 0.000 0.209 234 G C 0.530 175.552 174.900 0.203 0.000 1.150 234 G CA 0.095 45.398 45.100 0.339 0.000 0.785 234 G HN 0.381 nan 8.290 nan 0.000 0.535 235 D N 0.622 121.100 120.400 0.130 0.000 2.316 235 D HA 0.228 4.869 4.640 0.001 0.000 0.245 235 D C -0.993 175.422 176.300 0.191 0.000 1.171 235 D CA -2.528 51.550 54.000 0.130 0.000 0.856 235 D CB 2.102 42.957 40.800 0.091 0.000 1.090 235 D HN 0.005 nan 8.370 nan 0.000 0.476 236 P HA -0.097 nan 4.420 nan 0.000 0.220 236 P C 0.914 178.302 177.300 0.147 0.000 1.148 236 P CA 0.706 63.900 63.100 0.156 0.000 0.803 236 P CB 0.157 31.930 31.700 0.122 0.000 0.782 237 A N -1.745 121.157 122.820 0.136 0.000 2.121 237 A HA -0.158 4.163 4.320 0.001 0.000 0.218 237 A C 2.128 179.810 177.584 0.163 0.000 1.154 237 A CA 0.942 53.051 52.037 0.119 0.000 0.679 237 A CB -1.431 17.628 19.000 0.099 0.000 0.795 237 A HN 0.199 nan 8.150 nan 0.000 0.458 238 Y N -0.481 119.871 120.300 0.087 0.000 2.396 238 Y HA 0.020 4.570 4.550 0.001 0.000 0.292 238 Y C 2.489 178.514 175.900 0.208 0.000 1.128 238 Y CA 1.799 59.971 58.100 0.120 0.000 1.194 238 Y CB 0.157 38.684 38.460 0.112 0.000 1.124 238 Y HN 0.239 nan 8.280 nan 0.000 0.543 239 T N -0.637 114.152 114.554 0.393 0.000 2.852 239 T HA -0.123 4.227 4.350 0.001 0.000 0.256 239 T C 1.969 176.827 174.700 0.264 0.000 1.038 239 T CA 1.370 63.679 62.100 0.349 0.000 1.141 239 T CB -0.824 68.226 68.868 0.303 0.000 0.869 239 T HN 0.424 nan 8.240 nan 0.000 0.439 240 c N 1.897 120.604 118.600 0.178 0.000 2.401 240 c HA -0.056 4.515 4.570 0.001 0.000 0.276 240 c C -0.172 173.963 174.090 0.075 0.000 1.233 240 c CA 0.727 57.127 56.329 0.117 0.000 1.753 240 c CB -1.568 40.996 42.510 0.090 0.000 2.029 240 c HN 0.471 nan 8.230 nan 0.000 0.478 241 P HA -0.121 nan 4.420 nan 0.000 0.223 241 P C 0.808 178.028 177.300 -0.133 0.000 1.144 241 P CA 1.341 64.394 63.100 -0.079 0.000 0.783 241 P CB -0.282 31.328 31.700 -0.148 0.000 0.771 242 Y N -0.562 119.694 120.300 -0.073 0.000 2.497 242 Y HA -0.087 4.464 4.550 0.001 0.000 0.292 242 Y C 2.434 178.294 175.900 -0.066 0.000 1.137 242 Y CA 1.072 59.122 58.100 -0.082 0.000 1.285 242 Y CB -0.614 37.773 38.460 -0.123 0.000 0.991 242 Y HN 0.054 nan 8.280 nan 0.000 0.556 243 Q N 0.061 119.907 119.800 0.077 0.000 2.488 243 Q HA -0.113 4.228 4.340 0.001 0.000 0.211 243 Q C 0.987 177.000 176.000 0.021 0.000 0.967 243 Q CA 0.443 56.270 55.803 0.040 0.000 0.926 243 Q CB 0.075 28.840 28.738 0.045 0.000 0.992 243 Q HN 0.497 nan 8.270 nan 0.000 0.506 244 N N -0.507 118.193 118.700 -0.001 0.000 2.467 244 N HA -0.057 4.684 4.740 0.001 0.000 0.184 244 N C 1.128 176.645 175.510 0.011 0.000 1.106 244 N CA 0.797 53.843 53.050 -0.006 0.000 0.892 244 N CB 0.942 39.410 38.487 -0.032 0.000 0.969 244 N HN 0.206 nan 8.380 nan 0.000 0.454 245 V N -3.164 116.770 119.914 0.033 0.000 3.432 245 V HA 0.469 4.590 4.120 0.001 0.000 0.298 245 V C 0.343 176.497 176.094 0.099 0.000 1.464 245 V CA -0.228 62.125 62.300 0.088 0.000 1.046 245 V CB 0.010 31.923 31.823 0.150 0.000 0.887 245 V HN 0.010 nan 8.190 nan 0.000 0.441 246 M N -0.306 119.313 119.600 0.032 0.000 2.603 246 M HA 0.458 4.939 4.480 0.001 0.000 0.275 246 M C -0.566 175.705 176.300 -0.048 0.000 1.226 246 M CA -0.367 54.914 55.300 -0.031 0.000 0.870 246 M CB 2.178 34.695 32.600 -0.138 0.000 1.716 246 M HN -0.035 nan 8.290 nan 0.000 0.482 247 D N 1.456 121.807 120.400 -0.082 0.000 2.092 247 D HA 0.081 4.722 4.640 0.001 0.000 0.193 247 D C 0.698 177.011 176.300 0.022 0.000 0.994 247 D CA 1.817 55.813 54.000 -0.006 0.000 0.828 247 D CB 0.097 40.913 40.800 0.026 0.000 0.963 247 D HN 0.701 nan 8.370 nan 0.000 0.450 248 G N -1.190 107.543 108.800 -0.112 0.000 2.695 248 G HA2 0.543 4.504 3.960 0.001 0.000 0.290 248 G HA3 0.543 4.504 3.960 0.001 0.000 0.290 248 G C -1.211 173.599 174.900 -0.150 0.000 1.410 248 G CA -0.312 44.764 45.100 -0.040 0.000 0.844 248 G HN 0.121 nan 8.290 nan 0.000 0.478 249 V N -1.819 118.055 119.914 -0.066 0.000 3.040 249 V HA 0.750 4.871 4.120 0.001 0.000 0.312 249 V C -0.002 176.088 176.094 -0.007 0.000 1.115 249 V CA -1.263 60.988 62.300 -0.081 0.000 0.998 249 V CB 1.521 33.328 31.823 -0.027 0.000 1.042 249 V HN 0.770 nan 8.190 nan 0.000 0.433 250 L N 2.155 123.373 121.223 -0.009 0.000 2.456 250 L HA 0.284 4.625 4.340 0.001 0.000 0.272 250 L C 0.780 177.793 176.870 0.238 0.000 1.189 250 L CA 0.025 54.922 54.840 0.096 0.000 0.846 250 L CB 0.264 42.329 42.059 0.010 0.000 1.111 250 L HN 0.792 nan 8.230 nan 0.000 0.475 251 N N 1.853 120.722 118.700 0.282 0.000 3.245 251 N HA 0.004 4.745 4.740 0.001 0.000 0.296 251 N C 0.622 176.190 175.510 0.097 0.000 1.254 251 N CA 0.168 53.327 53.050 0.181 0.000 1.190 251 N CB -0.057 38.496 38.487 0.111 0.000 1.460 251 N HN 0.409 nan 8.380 nan 0.000 0.538 252 Y N 1.166 121.617 120.300 0.251 0.000 2.274 252 Y HA -0.037 4.514 4.550 0.001 0.000 0.290 252 Y C -0.604 175.428 175.900 0.220 0.000 1.145 252 Y CA 1.105 59.343 58.100 0.229 0.000 1.203 252 Y CB -0.829 37.803 38.460 0.286 0.000 0.984 252 Y HN 0.424 nan 8.280 nan 0.000 0.533 253 P HA -0.235 nan 4.420 nan 0.000 0.215 253 P C 1.576 178.989 177.300 0.188 0.000 1.157 253 P CA 1.653 64.917 63.100 0.272 0.000 0.874 253 P CB 0.031 31.854 31.700 0.206 0.000 0.790 254 I N -2.442 118.185 120.570 0.095 0.000 2.500 254 I HA -0.183 3.988 4.170 0.001 0.000 0.252 254 I C 2.266 178.323 176.117 -0.100 0.000 1.142 254 I CA 1.079 62.392 61.300 0.021 0.000 1.451 254 I CB -1.196 36.836 38.000 0.053 0.000 1.093 254 I HN -0.032 nan 8.210 nan 0.000 0.430 255 Y N 1.944 122.021 120.300 -0.373 0.000 2.069 255 Y HA -0.354 4.196 4.550 0.001 0.000 0.278 255 Y C 2.544 178.192 175.900 -0.420 0.000 1.175 255 Y CA 1.928 59.661 58.100 -0.612 0.000 1.134 255 Y CB -0.947 36.908 38.460 -1.008 0.000 0.965 255 Y HN 0.111 nan 8.280 nan 0.000 0.498 256 Y N 0.251 120.423 120.300 -0.213 0.000 2.097 256 Y HA -0.183 4.367 4.550 0.001 0.000 0.282 256 Y C -0.104 175.637 175.900 -0.266 0.000 1.152 256 Y CA 2.024 59.951 58.100 -0.290 0.000 1.136 256 Y CB -2.335 36.093 38.460 -0.054 0.000 0.975 256 Y HN 0.222 nan 8.280 nan 0.000 0.498 257 P HA -0.140 nan 4.420 nan 0.000 0.219 257 P C 1.852 179.056 177.300 -0.160 0.000 1.150 257 P CA 1.145 64.197 63.100 -0.080 0.000 0.814 257 P CB -0.067 31.615 31.700 -0.030 0.000 0.787 258 L N -0.313 120.777 121.223 -0.221 0.000 2.017 258 L HA -0.104 4.237 4.340 0.001 0.000 0.208 258 L C 2.329 179.131 176.870 -0.114 0.000 1.073 258 L CA 1.650 56.345 54.840 -0.242 0.000 0.745 258 L CB -1.673 40.167 42.059 -0.365 0.000 0.894 258 L HN -0.159 nan 8.230 nan 0.000 0.432 259 L N 0.058 121.130 121.223 -0.251 0.000 2.046 259 L HA -0.191 4.149 4.340 0.001 0.000 0.208 259 L C 2.140 178.934 176.870 -0.128 0.000 1.077 259 L CA 1.787 56.524 54.840 -0.171 0.000 0.747 259 L CB -1.064 40.702 42.059 -0.489 0.000 0.896 259 L HN 0.360 nan 8.230 nan 0.000 0.432 260 N N 0.113 118.704 118.700 -0.183 0.000 2.244 260 N HA -0.077 4.664 4.740 0.001 0.000 0.183 260 N C 1.796 177.211 175.510 -0.158 0.000 1.016 260 N CA 1.351 54.306 53.050 -0.158 0.000 0.866 260 N CB -0.385 38.026 38.487 -0.127 0.000 0.980 260 N HN 0.555 nan 8.380 nan 0.000 0.430 261 A N -0.504 122.190 122.820 -0.210 0.000 1.929 261 A HA 0.022 4.343 4.320 0.001 0.000 0.216 261 A C 1.347 178.593 177.584 -0.564 0.000 1.176 261 A CA 0.905 52.682 52.037 -0.432 0.000 0.628 261 A CB -0.396 18.224 19.000 -0.633 0.000 0.816 261 A HN 0.215 nan 8.150 nan 0.000 0.444 262 F N -0.262 119.701 119.950 0.020 0.000 2.678 262 F HA 0.159 4.687 4.527 0.001 0.000 0.305 262 F C 1.973 177.923 175.800 0.250 0.000 1.090 262 F CA 0.548 58.634 58.000 0.143 0.000 1.272 262 F CB 0.392 39.477 39.000 0.142 0.000 1.060 262 F HN 0.275 nan 8.300 nan 0.000 0.576 263 K N 0.400 120.912 120.400 0.186 0.000 2.432 263 K HA 0.095 4.416 4.320 0.001 0.000 0.196 263 K C 0.488 177.075 176.600 -0.022 0.000 1.038 263 K CA 0.801 57.058 56.287 -0.050 0.000 0.986 263 K CB 0.018 32.342 32.500 -0.293 0.000 0.782 263 K HN 0.221 nan 8.250 nan 0.000 0.485 264 S N -0.492 115.215 115.700 0.011 0.000 2.638 264 S HA 0.140 4.610 4.470 0.001 0.000 0.274 264 S C 0.598 175.210 174.600 0.020 0.000 1.157 264 S CA -0.339 57.871 58.200 0.015 0.000 0.826 264 S CB 1.343 64.539 63.200 -0.007 0.000 1.139 264 S HN 0.183 nan 8.310 nan 0.000 0.474 265 T N -1.214 113.357 114.554 0.028 0.000 3.163 265 T HA 0.048 4.398 4.350 0.001 0.000 0.260 265 T C 1.281 175.975 174.700 -0.010 0.000 1.156 265 T CA 0.981 63.095 62.100 0.023 0.000 1.072 265 T CB -0.775 68.116 68.868 0.038 0.000 0.937 265 T HN 0.995 nan 8.240 nan 0.000 0.528 266 S N -0.136 115.550 115.700 -0.024 0.000 2.554 266 S HA 0.472 4.942 4.470 0.001 0.000 0.226 266 S C 1.180 175.738 174.600 -0.069 0.000 0.980 266 S CA -0.430 57.746 58.200 -0.041 0.000 0.939 266 S CB -0.197 62.984 63.200 -0.031 0.000 0.832 266 S HN 0.642 nan 8.310 nan 0.000 0.486 267 G N 1.500 110.243 108.800 -0.095 0.000 2.559 267 G HA2 0.327 4.288 3.960 0.001 0.000 0.235 267 G HA3 0.327 4.288 3.960 0.001 0.000 0.235 267 G C -0.244 174.559 174.900 -0.161 0.000 1.266 267 G CA -0.273 44.743 45.100 -0.140 0.000 0.847 267 G HN 0.395 nan 8.290 nan 0.000 0.583 268 S N 1.877 117.487 115.700 -0.150 0.000 2.416 268 S HA 0.188 4.659 4.470 0.001 0.000 0.287 268 S C 1.674 176.177 174.600 -0.161 0.000 1.139 268 S CA -0.809 57.309 58.200 -0.135 0.000 1.058 268 S CB 0.356 63.498 63.200 -0.097 0.000 0.967 268 S HN 0.408 nan 8.310 nan 0.000 0.495 269 M N 3.281 122.785 119.600 -0.160 0.000 2.229 269 M HA -0.042 4.439 4.480 0.001 0.000 0.264 269 M C 1.432 177.695 176.300 -0.062 0.000 1.063 269 M CA 1.153 56.375 55.300 -0.130 0.000 1.114 269 M CB -1.200 31.332 32.600 -0.113 0.000 1.387 269 M HN 0.626 nan 8.290 nan 0.000 0.420 270 D N 0.827 121.175 120.400 -0.087 0.000 2.123 270 D HA -0.173 4.467 4.640 0.001 0.000 0.196 270 D C 1.442 177.749 176.300 0.011 0.000 0.992 270 D CA 1.309 55.266 54.000 -0.072 0.000 0.833 270 D CB -0.127 40.617 40.800 -0.094 0.000 0.954 270 D HN 0.325 nan 8.370 nan 0.000 0.455 271 D N 0.199 120.591 120.400 -0.014 0.000 2.178 271 D HA -0.099 4.542 4.640 0.001 0.000 0.202 271 D C 2.158 178.479 176.300 0.035 0.000 0.974 271 D CA 0.194 54.200 54.000 0.009 0.000 0.841 271 D CB -0.166 40.621 40.800 -0.022 0.000 0.953 271 D HN 0.156 nan 8.370 nan 0.000 0.478 272 L N -0.129 121.102 121.223 0.013 0.000 2.044 272 L HA -0.129 4.211 4.340 0.001 0.000 0.205 272 L C 2.234 179.183 176.870 0.132 0.000 1.075 272 L CA 1.427 56.281 54.840 0.023 0.000 0.747 272 L CB -0.922 41.103 42.059 -0.057 0.000 0.903 272 L HN -0.015 nan 8.230 nan 0.000 0.435 273 Y N 0.823 121.135 120.300 0.020 0.000 2.081 273 Y HA -0.328 4.222 4.550 0.001 0.000 0.280 273 Y C 2.424 178.361 175.900 0.062 0.000 1.163 273 Y CA 2.327 60.462 58.100 0.058 0.000 1.135 273 Y CB -0.498 37.980 38.460 0.030 0.000 0.970 273 Y HN 0.368 nan 8.280 nan 0.000 0.498 274 N N -0.101 118.803 118.700 0.340 0.000 2.120 274 N HA -0.198 4.542 4.740 0.001 0.000 0.188 274 N C 1.841 177.419 175.510 0.114 0.000 1.024 274 N CA 1.744 54.927 53.050 0.221 0.000 0.852 274 N CB -0.556 38.029 38.487 0.163 0.000 1.003 274 N HN 0.445 nan 8.380 nan 0.000 0.424 275 M N 0.818 120.478 119.600 0.099 0.000 2.175 275 M HA 0.081 4.562 4.480 0.001 0.000 0.264 275 M C 1.735 178.084 176.300 0.081 0.000 1.063 275 M CA 0.937 56.287 55.300 0.083 0.000 1.119 275 M CB -0.301 32.346 32.600 0.079 0.000 1.377 275 M HN 0.041 nan 8.290 nan 0.000 0.415 276 I N 0.238 120.859 120.570 0.086 0.000 2.151 276 I HA -0.379 3.792 4.170 0.001 0.000 0.243 276 I C 1.901 178.038 176.117 0.034 0.000 1.080 276 I CA 1.251 62.602 61.300 0.086 0.000 1.339 276 I CB -0.707 37.351 38.000 0.097 0.000 1.039 276 I HN 0.354 nan 8.210 nan 0.000 0.409 277 N N 0.131 118.826 118.700 -0.009 0.000 2.188 277 N HA -0.124 4.616 4.740 0.001 0.000 0.184 277 N C 1.850 177.366 175.510 0.010 0.000 1.018 277 N CA 1.630 54.666 53.050 -0.023 0.000 0.858 277 N CB -0.461 37.996 38.487 -0.051 0.000 0.989 277 N HN 0.310 nan 8.380 nan 0.000 0.426 278 T N 0.730 115.305 114.554 0.035 0.000 2.777 278 T HA -0.020 4.331 4.350 0.001 0.000 0.266 278 T C 2.121 176.846 174.700 0.042 0.000 1.040 278 T CA 0.683 62.808 62.100 0.042 0.000 1.141 278 T CB -0.194 68.709 68.868 0.057 0.000 0.868 278 T HN -0.041 nan 8.240 nan 0.000 0.444 279 V N 1.672 121.618 119.914 0.054 0.000 2.427 279 V HA -0.146 3.975 4.120 0.001 0.000 0.248 279 V C 2.480 178.596 176.094 0.037 0.000 1.051 279 V CA 1.559 63.895 62.300 0.059 0.000 1.048 279 V CB -0.511 31.360 31.823 0.079 0.000 0.666 279 V HN 0.457 nan 8.190 nan 0.000 0.456 280 K N 0.163 120.576 120.400 0.022 0.000 2.026 280 K HA -0.179 4.142 4.320 0.001 0.000 0.208 280 K C 2.222 178.812 176.600 -0.017 0.000 1.048 280 K CA 2.045 58.330 56.287 -0.004 0.000 0.929 280 K CB -0.140 32.348 32.500 -0.021 0.000 0.713 280 K HN 0.494 nan 8.250 nan 0.000 0.439 281 S N 0.840 116.533 115.700 -0.013 0.000 2.406 281 S HA -0.046 4.425 4.470 0.001 0.000 0.224 281 S C 1.043 175.642 174.600 -0.002 0.000 1.030 281 S CA 1.153 59.343 58.200 -0.016 0.000 0.958 281 S CB -0.001 63.192 63.200 -0.013 0.000 0.811 281 S HN 0.384 nan 8.310 nan 0.000 0.489 282 D N -0.063 120.345 120.400 0.014 0.000 2.366 282 D HA 0.202 4.843 4.640 0.001 0.000 0.205 282 D C 0.211 176.527 176.300 0.028 0.000 1.022 282 D CA 0.051 54.064 54.000 0.021 0.000 0.868 282 D CB -0.053 40.767 40.800 0.033 0.000 0.953 282 D HN 0.232 nan 8.370 nan 0.000 0.514 283 c N 1.290 119.910 118.600 0.033 0.000 2.401 283 c HA 0.213 4.784 4.570 0.001 0.000 0.365 283 c C -0.848 173.258 174.090 0.026 0.000 1.250 283 c CA -1.590 54.763 56.329 0.040 0.000 2.131 283 c CB 1.490 44.033 42.510 0.056 0.000 2.445 283 c HN 0.151 nan 8.230 nan 0.000 0.550 284 P HA -0.091 nan 4.420 nan 0.000 0.215 284 P C -0.201 177.110 177.300 0.019 0.000 1.157 284 P CA 1.677 64.788 63.100 0.018 0.000 0.874 284 P CB 0.156 31.867 31.700 0.019 0.000 0.790 285 D N -2.407 118.011 120.400 0.029 0.000 2.365 285 D HA 0.079 4.719 4.640 0.001 0.000 0.235 285 D C 0.754 177.077 176.300 0.039 0.000 1.368 285 D CA -0.117 53.899 54.000 0.028 0.000 1.001 285 D CB 0.501 41.321 40.800 0.034 0.000 1.364 285 D HN -0.143 nan 8.370 nan 0.000 0.577 286 S N 1.158 116.875 115.700 0.029 0.000 2.400 286 S HA -0.214 4.257 4.470 0.001 0.000 0.232 286 S C 1.767 176.391 174.600 0.040 0.000 1.025 286 S CA 1.734 59.956 58.200 0.037 0.000 0.993 286 S CB -0.665 62.550 63.200 0.024 0.000 0.808 286 S HN 0.539 nan 8.310 nan 0.000 0.478 287 T N -0.513 114.057 114.554 0.026 0.000 3.163 287 T HA 0.249 4.600 4.350 0.001 0.000 0.260 287 T C 1.190 175.920 174.700 0.050 0.000 1.156 287 T CA 0.380 62.495 62.100 0.025 0.000 1.072 287 T CB -0.503 68.368 68.868 0.006 0.000 0.937 287 T HN 0.444 nan 8.240 nan 0.000 0.528 288 L N 0.236 121.504 121.223 0.075 0.000 2.808 288 L HA 0.469 4.810 4.340 0.001 0.000 0.246 288 L C 0.311 177.279 176.870 0.162 0.000 1.153 288 L CA -0.307 54.605 54.840 0.120 0.000 0.956 288 L CB 0.154 42.310 42.059 0.161 0.000 1.270 288 L HN 0.218 nan 8.230 nan 0.000 0.528 289 L N -0.435 120.861 121.223 0.122 0.000 2.454 289 L HA 0.540 4.881 4.340 0.001 0.000 0.256 289 L C 0.651 177.607 176.870 0.143 0.000 1.136 289 L CA -0.517 54.398 54.840 0.124 0.000 0.804 289 L CB 0.708 42.833 42.059 0.110 0.000 1.181 289 L HN -0.035 nan 8.230 nan 0.000 0.469 290 G N -0.228 108.663 108.800 0.152 0.000 2.422 290 G HA2 0.530 4.491 3.960 0.001 0.000 0.317 290 G HA3 0.530 4.491 3.960 0.001 0.000 0.317 290 G C -0.636 174.419 174.900 0.257 0.000 1.210 290 G CA -0.221 44.992 45.100 0.189 0.000 0.930 290 G HN 0.455 nan 8.290 nan 0.000 0.468 291 T N 1.803 116.499 114.554 0.236 0.000 2.882 291 T HA 0.682 5.033 4.350 0.001 0.000 0.287 291 T C -0.568 174.308 174.700 0.294 0.000 0.992 291 T CA 0.012 62.232 62.100 0.200 0.000 1.076 291 T CB 0.747 69.716 68.868 0.168 0.000 0.961 291 T HN 0.660 nan 8.240 nan 0.000 0.490 292 F N -0.455 119.548 119.950 0.090 0.000 2.741 292 F HA 0.693 5.220 4.527 0.001 0.000 0.311 292 F C -0.495 175.378 175.800 0.121 0.000 1.149 292 F CA -1.254 56.792 58.000 0.077 0.000 0.930 292 F CB 0.878 39.872 39.000 -0.011 0.000 1.312 292 F HN 0.242 nan 8.300 nan 0.000 0.450 293 V N 0.096 120.141 119.914 0.218 0.000 3.451 293 V HA 0.405 4.526 4.120 0.001 0.000 0.288 293 V C -0.468 175.926 176.094 0.499 0.000 1.502 293 V CA 0.473 62.937 62.300 0.272 0.000 1.026 293 V CB 0.278 32.166 31.823 0.107 0.000 0.840 293 V HN 0.799 nan 8.190 nan 0.000 0.437 294 E N 1.394 121.887 120.200 0.489 0.000 2.356 294 E HA 0.509 4.860 4.350 0.001 0.000 0.275 294 E C -1.357 175.424 176.600 0.302 0.000 0.904 294 E CA -0.514 56.153 56.400 0.446 0.000 0.757 294 E CB 2.356 32.336 29.700 0.466 0.000 1.232 294 E HN 0.537 nan 8.360 nan 0.000 0.442 295 N N -0.742 118.047 118.700 0.147 0.000 3.378 295 N HA 0.064 4.805 4.740 0.001 0.000 0.294 295 N C -0.008 175.355 175.510 -0.244 0.000 1.544 295 N CA -0.590 52.312 53.050 -0.246 0.000 0.872 295 N CB -0.060 38.289 38.487 -0.230 0.000 1.670 295 N HN 0.516 nan 8.380 nan 0.000 0.551 296 H N -2.103 116.653 119.070 -0.523 0.000 2.539 296 H HA 0.360 4.917 4.556 0.001 0.000 0.267 296 H C -0.745 174.528 175.328 -0.091 0.000 0.982 296 H CA 0.223 56.126 56.048 -0.242 0.000 1.146 296 H CB -0.393 29.262 29.762 -0.177 0.000 1.382 296 H HN 0.526 nan 8.280 nan 0.000 0.577 297 D N -0.046 120.264 120.400 -0.150 0.000 2.469 297 D HA 0.146 4.787 4.640 0.001 0.000 0.215 297 D C -0.450 175.851 176.300 0.003 0.000 1.154 297 D CA -0.043 53.857 54.000 -0.165 0.000 0.832 297 D CB 0.361 41.017 40.800 -0.240 0.000 1.008 297 D HN 0.346 nan 8.370 nan 0.000 0.506 298 N N -0.085 118.671 118.700 0.092 0.000 2.416 298 N HA 0.388 5.128 4.740 0.001 0.000 0.276 298 N C -2.816 172.830 175.510 0.227 0.000 1.261 298 N CA -1.450 51.723 53.050 0.205 0.000 0.790 298 N CB 2.479 41.157 38.487 0.318 0.000 1.554 298 N HN -0.295 nan 8.380 nan 0.000 0.481 299 P HA 0.062 nan 4.420 nan 0.000 0.267 299 P C -0.458 177.000 177.300 0.263 0.000 1.200 299 P CA 0.136 63.313 63.100 0.130 0.000 0.772 299 P CB 0.564 32.204 31.700 -0.100 0.000 0.855 300 R N 1.472 122.101 120.500 0.215 0.000 2.738 300 R HA 0.058 4.398 4.340 0.001 0.000 0.268 300 R C 1.197 177.724 176.300 0.378 0.000 1.062 300 R CA -0.132 56.152 56.100 0.306 0.000 1.158 300 R CB -0.163 30.267 30.300 0.217 0.000 1.046 300 R HN 0.471 nan 8.270 nan 0.000 0.493 301 F N 1.907 122.040 119.950 0.305 0.000 2.126 301 F HA -0.221 4.307 4.527 0.001 0.000 0.299 301 F C 2.048 178.014 175.800 0.277 0.000 1.096 301 F CA 2.161 60.365 58.000 0.340 0.000 1.255 301 F CB -0.189 38.963 39.000 0.252 0.000 0.997 301 F HN 0.655 nan 8.300 nan 0.000 0.479 302 A N -0.663 122.285 122.820 0.213 0.000 2.172 302 A HA -0.103 4.218 4.320 0.001 0.000 0.216 302 A C 2.224 179.751 177.584 -0.096 0.000 1.154 302 A CA 1.359 53.380 52.037 -0.027 0.000 0.701 302 A CB -1.221 17.591 19.000 -0.313 0.000 0.789 302 A HN 0.504 nan 8.150 nan 0.000 0.465 303 S N -1.576 114.069 115.700 -0.092 0.000 2.453 303 S HA -0.122 4.348 4.470 0.001 0.000 0.231 303 S C 1.642 176.064 174.600 -0.296 0.000 1.005 303 S CA 1.120 59.198 58.200 -0.204 0.000 0.949 303 S CB -0.659 62.382 63.200 -0.265 0.000 0.774 303 S HN 0.585 nan 8.310 nan 0.000 0.510 304 Y N 1.623 121.828 120.300 -0.158 0.000 2.347 304 Y HA 0.351 4.901 4.550 0.001 0.000 0.294 304 Y C 1.418 177.195 175.900 -0.204 0.000 1.117 304 Y CA 0.768 58.751 58.100 -0.194 0.000 1.184 304 Y CB 0.081 38.369 38.460 -0.287 0.000 1.047 304 Y HN 0.375 nan 8.280 nan 0.000 0.546 305 T N -0.972 113.525 114.554 -0.095 0.000 3.193 305 T HA 0.189 4.540 4.350 0.001 0.000 0.332 305 T C -0.497 174.211 174.700 0.012 0.000 1.208 305 T CA -0.709 61.360 62.100 -0.051 0.000 1.080 305 T CB 0.747 69.576 68.868 -0.065 0.000 1.180 305 T HN -0.062 nan 8.240 nan 0.000 0.469 306 N N 2.809 121.552 118.700 0.071 0.000 2.383 306 N HA 0.087 4.828 4.740 0.001 0.000 0.192 306 N C -0.107 175.577 175.510 0.289 0.000 1.141 306 N CA -0.132 53.019 53.050 0.168 0.000 0.851 306 N CB 0.188 38.741 38.487 0.111 0.000 0.976 306 N HN 0.673 nan 8.380 nan 0.000 0.465 307 D N 0.671 121.205 120.400 0.224 0.000 2.358 307 D HA -0.056 4.585 4.640 0.001 0.000 0.258 307 D C 1.283 177.717 176.300 0.225 0.000 1.223 307 D CA -0.178 53.941 54.000 0.199 0.000 0.886 307 D CB 0.842 41.743 40.800 0.170 0.000 1.120 307 D HN 0.059 nan 8.370 nan 0.000 0.482 308 I N 4.762 125.399 120.570 0.112 0.000 2.546 308 I HA -0.136 4.034 4.170 0.001 0.000 0.255 308 I C 2.149 178.291 176.117 0.042 0.000 1.163 308 I CA 1.098 62.393 61.300 -0.007 0.000 1.457 308 I CB 0.034 37.980 38.000 -0.090 0.000 1.092 308 I HN 0.551 nan 8.210 nan 0.000 0.434 309 A N 0.258 123.124 122.820 0.078 0.000 1.873 309 A HA -0.135 4.186 4.320 0.001 0.000 0.215 309 A C 2.244 179.900 177.584 0.120 0.000 1.186 309 A CA 1.617 53.702 52.037 0.082 0.000 0.616 309 A CB -0.944 18.109 19.000 0.088 0.000 0.823 309 A HN 0.446 nan 8.150 nan 0.000 0.442 310 L N -0.696 120.651 121.223 0.207 0.000 2.083 310 L HA -0.212 4.129 4.340 0.001 0.000 0.209 310 L C 3.050 180.050 176.870 0.215 0.000 1.083 310 L CA 1.109 56.136 54.840 0.312 0.000 0.752 310 L CB -0.546 41.790 42.059 0.461 0.000 0.899 310 L HN 0.439 nan 8.230 nan 0.000 0.433 311 A N -0.062 122.908 122.820 0.250 0.000 1.969 311 A HA -0.186 4.135 4.320 0.001 0.000 0.218 311 A C 2.327 179.844 177.584 -0.112 0.000 1.169 311 A CA 1.443 53.504 52.037 0.040 0.000 0.635 311 A CB -0.268 18.874 19.000 0.236 0.000 0.810 311 A HN 0.321 nan 8.150 nan 0.000 0.445 312 K N -0.126 120.242 120.400 -0.055 0.000 2.025 312 K HA -0.096 4.225 4.320 0.001 0.000 0.207 312 K C 1.817 178.334 176.600 -0.138 0.000 1.049 312 K CA 1.345 57.587 56.287 -0.075 0.000 0.933 312 K CB -0.248 32.230 32.500 -0.037 0.000 0.714 312 K HN 0.463 nan 8.250 nan 0.000 0.438 313 N N 0.756 119.352 118.700 -0.174 0.000 2.120 313 N HA -0.155 4.586 4.740 0.001 0.000 0.188 313 N C 1.871 177.042 175.510 -0.566 0.000 1.024 313 N CA 1.044 53.908 53.050 -0.310 0.000 0.852 313 N CB -0.139 38.161 38.487 -0.312 0.000 1.003 313 N HN -0.021 nan 8.380 nan 0.000 0.424 314 V N 1.550 121.055 119.914 -0.682 0.000 2.515 314 V HA -0.123 3.998 4.120 0.001 0.000 0.250 314 V C 2.257 178.164 176.094 -0.312 0.000 1.058 314 V CA 1.737 63.626 62.300 -0.685 0.000 1.064 314 V CB -0.487 30.853 31.823 -0.806 0.000 0.675 314 V HN 0.266 nan 8.190 nan 0.000 0.461 315 A N -0.355 122.322 122.820 -0.239 0.000 1.930 315 A HA 0.011 4.332 4.320 0.001 0.000 0.217 315 A C 2.393 179.944 177.584 -0.055 0.000 1.175 315 A CA 1.806 53.787 52.037 -0.094 0.000 0.627 315 A CB -0.807 18.153 19.000 -0.067 0.000 0.815 315 A HN 0.705 nan 8.150 nan 0.000 0.443 316 A N -1.050 121.719 122.820 -0.084 0.000 1.902 316 A HA -0.049 4.271 4.320 0.001 0.000 0.217 316 A C 2.023 179.589 177.584 -0.030 0.000 1.181 316 A CA 1.551 53.552 52.037 -0.059 0.000 0.623 316 A CB -0.737 18.225 19.000 -0.064 0.000 0.818 316 A HN 0.646 nan 8.150 nan 0.000 0.443 317 F N 0.667 120.525 119.950 -0.154 0.000 2.069 317 F HA -0.213 4.315 4.527 0.001 0.000 0.298 317 F C 1.973 177.750 175.800 -0.039 0.000 1.113 317 F CA 1.976 59.918 58.000 -0.096 0.000 1.214 317 F CB -0.289 38.623 39.000 -0.147 0.000 0.978 317 F HN 0.190 nan 8.300 nan 0.000 0.474 318 I N -0.005 120.674 120.570 0.182 0.000 2.163 318 I HA -0.353 3.818 4.170 0.001 0.000 0.243 318 I C 2.234 178.373 176.117 0.036 0.000 1.085 318 I CA 0.945 62.335 61.300 0.148 0.000 1.347 318 I CB -0.495 37.603 38.000 0.164 0.000 1.044 318 I HN 0.159 nan 8.210 nan 0.000 0.408 319 I N 0.306 120.883 120.570 0.012 0.000 2.315 319 I HA -0.206 3.964 4.170 0.001 0.000 0.248 319 I C 2.188 178.295 176.117 -0.017 0.000 1.117 319 I CA 1.794 63.096 61.300 0.003 0.000 1.404 319 I CB -0.927 37.050 38.000 -0.039 0.000 1.071 319 I HN 0.250 nan 8.210 nan 0.000 0.419 320 L N -0.139 121.034 121.223 -0.083 0.000 2.607 320 L HA 0.087 4.428 4.340 0.001 0.000 0.228 320 L C 0.942 177.706 176.870 -0.177 0.000 1.123 320 L CA -0.185 54.618 54.840 -0.062 0.000 0.890 320 L CB -0.529 41.503 42.059 -0.046 0.000 1.103 320 L HN 0.180 nan 8.230 nan 0.000 0.468 321 N N 0.126 118.620 118.700 -0.343 0.000 2.317 321 N HA 0.005 4.746 4.740 0.001 0.000 0.245 321 N C -0.196 175.214 175.510 -0.165 0.000 1.294 321 N CA -0.153 52.652 53.050 -0.408 0.000 0.924 321 N CB 0.470 38.639 38.487 -0.530 0.000 1.186 321 N HN -0.090 nan 8.380 nan 0.000 0.495 322 D N -0.768 119.563 120.400 -0.115 0.000 2.368 322 D HA 0.443 5.084 4.640 0.001 0.000 0.240 322 D C 0.827 177.125 176.300 -0.002 0.000 1.169 322 D CA 1.500 55.463 54.000 -0.061 0.000 0.906 322 D CB 0.300 41.082 40.800 -0.030 0.000 1.187 322 D HN 0.767 nan 8.370 nan 0.000 0.435 323 G N -0.058 108.756 108.800 0.023 0.000 2.587 323 G HA2 -0.181 3.780 3.960 0.001 0.000 0.212 323 G HA3 -0.181 3.780 3.960 0.001 0.000 0.212 323 G C -0.604 174.357 174.900 0.102 0.000 1.327 323 G CA -0.547 44.595 45.100 0.070 0.000 0.898 323 G HN 0.496 nan 8.290 nan 0.000 0.551 324 I N 2.470 123.124 120.570 0.141 0.000 2.336 324 I HA 0.366 4.537 4.170 0.001 0.000 0.292 324 I C -2.004 174.238 176.117 0.209 0.000 0.991 324 I CA -2.055 59.357 61.300 0.187 0.000 1.227 324 I CB 2.083 40.221 38.000 0.231 0.000 1.366 324 I HN 0.197 nan 8.210 nan 0.000 0.466 325 P HA 0.213 nan 4.420 nan 0.000 0.268 325 P C -0.791 176.702 177.300 0.321 0.000 1.204 325 P CA 0.225 63.470 63.100 0.242 0.000 0.768 325 P CB 0.422 32.252 31.700 0.217 0.000 0.842 326 I N 4.064 124.828 120.570 0.324 0.000 2.497 326 I HA 0.328 4.499 4.170 0.001 0.000 0.284 326 I C -0.369 175.920 176.117 0.287 0.000 1.060 326 I CA -0.626 60.868 61.300 0.323 0.000 1.071 326 I CB 1.397 39.597 38.000 0.334 0.000 1.216 326 I HN 0.070 nan 8.210 nan 0.000 0.442 327 I N 5.637 126.336 120.570 0.215 0.000 2.437 327 I HA 0.257 4.427 4.170 0.001 0.000 0.298 327 I C -0.585 175.524 176.117 -0.013 0.000 0.984 327 I CA -0.748 60.648 61.300 0.159 0.000 1.214 327 I CB 1.599 39.763 38.000 0.273 0.000 1.365 327 I HN 0.423 nan 8.210 nan 0.000 0.469 328 Y N 5.563 125.791 120.300 -0.120 0.000 2.326 328 Y HA 0.597 5.148 4.550 0.001 0.000 0.337 328 Y C 0.404 176.052 175.900 -0.419 0.000 1.023 328 Y CA -1.663 56.256 58.100 -0.302 0.000 1.143 328 Y CB 1.143 39.540 38.460 -0.106 0.000 1.183 328 Y HN 0.677 nan 8.280 nan 0.000 0.485 329 A N 4.247 126.536 122.820 -0.884 0.000 2.591 329 A HA 0.377 4.698 4.320 0.001 0.000 0.244 329 A C 1.395 178.583 177.584 -0.660 0.000 1.031 329 A CA 1.358 52.952 52.037 -0.738 0.000 0.767 329 A CB -1.183 17.456 19.000 -0.601 0.000 0.942 329 A HN 1.957 nan 8.150 nan 0.000 0.514 330 G N 1.174 109.717 108.800 -0.428 0.000 2.284 330 G HA2 -0.314 3.646 3.960 0.001 0.000 0.216 330 G HA3 -0.314 3.646 3.960 0.001 0.000 0.216 330 G C 1.168 175.827 174.900 -0.402 0.000 1.009 330 G CA 0.866 45.518 45.100 -0.748 0.000 0.625 330 G HN 0.940 nan 8.290 nan 0.000 0.501 331 Q N 0.740 120.427 119.800 -0.189 0.000 2.096 331 Q HA -0.165 4.175 4.340 0.001 0.000 0.204 331 Q C 2.390 178.439 176.000 0.083 0.000 0.982 331 Q CA 2.205 58.023 55.803 0.025 0.000 0.850 331 Q CB -0.190 28.599 28.738 0.085 0.000 0.901 331 Q HN 0.717 nan 8.270 nan 0.000 0.422 332 E N -0.536 119.712 120.200 0.081 0.000 2.418 332 E HA -0.173 4.178 4.350 0.001 0.000 0.197 332 E C 0.850 177.535 176.600 0.140 0.000 1.026 332 E CA 0.718 57.201 56.400 0.139 0.000 0.862 332 E CB 0.134 29.947 29.700 0.189 0.000 0.799 332 E HN 0.422 nan 8.360 nan 0.000 0.518 333 Q N 0.224 120.040 119.800 0.026 0.000 2.220 333 Q HA 0.064 4.405 4.340 0.001 0.000 0.205 333 Q C -0.318 175.800 176.000 0.198 0.000 0.865 333 Q CA -0.066 55.762 55.803 0.042 0.000 0.960 333 Q CB -0.476 28.168 28.738 -0.157 0.000 1.097 333 Q HN 0.539 nan 8.270 nan 0.000 0.493 334 H N -0.564 118.559 119.070 0.087 0.000 2.903 334 H HA -0.184 4.373 4.556 0.001 0.000 0.285 334 H C -0.836 174.650 175.328 0.264 0.000 1.231 334 H CA -0.241 55.909 56.048 0.169 0.000 1.135 334 H CB -0.609 29.246 29.762 0.156 0.000 1.328 334 H HN 0.140 nan 8.280 nan 0.000 0.388 335 Y N 0.077 120.394 120.300 0.028 0.000 2.597 335 Y HA 0.186 4.736 4.550 0.001 0.000 0.336 335 Y C 1.188 177.041 175.900 -0.078 0.000 1.216 335 Y CA 0.554 58.622 58.100 -0.053 0.000 1.463 335 Y CB 0.663 39.077 38.460 -0.077 0.000 1.303 335 Y HN 0.391 nan 8.280 nan 0.000 0.576 336 A N 2.494 125.314 122.820 -0.001 0.000 2.610 336 A HA 0.432 4.753 4.320 0.001 0.000 0.291 336 A C 0.960 178.506 177.584 -0.063 0.000 1.116 336 A CA 0.148 52.153 52.037 -0.054 0.000 0.963 336 A CB -0.561 18.367 19.000 -0.119 0.000 1.220 336 A HN 0.805 nan 8.150 nan 0.000 0.530 337 G N -0.251 108.519 108.800 -0.049 0.000 2.544 337 G HA2 0.443 4.404 3.960 0.001 0.000 0.242 337 G HA3 0.443 4.404 3.960 0.001 0.000 0.242 337 G C 0.623 175.507 174.900 -0.026 0.000 1.247 337 G CA 0.300 45.367 45.100 -0.054 0.000 0.840 337 G HN 0.557 nan 8.290 nan 0.000 0.578 338 G N -0.024 108.748 108.800 -0.046 0.000 2.582 338 G HA2 0.270 4.231 3.960 0.001 0.000 0.232 338 G HA3 0.270 4.231 3.960 0.001 0.000 0.232 338 G C 0.264 175.161 174.900 -0.006 0.000 1.458 338 G CA -0.821 44.247 45.100 -0.054 0.000 1.062 338 G HN 0.716 nan 8.290 nan 0.000 0.566 339 N N 0.323 119.017 118.700 -0.010 0.000 2.453 339 N HA 0.139 4.880 4.740 0.001 0.000 0.253 339 N C -0.201 175.313 175.510 0.007 0.000 1.252 339 N CA -0.197 52.858 53.050 0.009 0.000 0.917 339 N CB 0.534 39.020 38.487 -0.001 0.000 1.117 339 N HN 0.438 nan 8.380 nan 0.000 0.442 340 D N 1.328 121.732 120.400 0.007 0.000 2.772 340 D HA -0.088 4.553 4.640 0.001 0.000 0.227 340 D C -1.496 174.805 176.300 0.002 0.000 1.114 340 D CA -0.724 53.280 54.000 0.007 0.000 0.832 340 D CB 0.611 41.383 40.800 -0.046 0.000 1.154 340 D HN 0.389 nan 8.370 nan 0.000 0.514 341 P HA 0.153 nan 4.420 nan 0.000 0.261 341 P C 0.675 178.004 177.300 0.049 0.000 1.268 341 P CA -0.017 63.127 63.100 0.075 0.000 0.833 341 P CB 0.349 32.110 31.700 0.102 0.000 1.231 342 A N 1.933 124.763 122.820 0.017 0.000 2.172 342 A HA -0.133 4.187 4.320 0.001 0.000 0.216 342 A C 1.559 179.148 177.584 0.008 0.000 1.154 342 A CA 1.176 53.206 52.037 -0.012 0.000 0.701 342 A CB -1.053 17.930 19.000 -0.029 0.000 0.789 342 A HN 0.345 nan 8.150 nan 0.000 0.465 343 N N -1.127 117.615 118.700 0.071 0.000 2.276 343 N HA 0.096 4.837 4.740 0.001 0.000 0.212 343 N C 0.324 175.969 175.510 0.225 0.000 1.127 343 N CA -0.025 53.116 53.050 0.152 0.000 0.834 343 N CB -0.139 38.468 38.487 0.200 0.000 1.014 343 N HN 0.255 nan 8.380 nan 0.000 0.491 344 R N 0.424 121.008 120.500 0.140 0.000 2.831 344 R HA 0.224 4.565 4.340 0.001 0.000 0.337 344 R C -0.617 175.675 176.300 -0.013 0.000 1.200 344 R CA -0.369 55.823 56.100 0.153 0.000 1.088 344 R CB 0.062 30.500 30.300 0.229 0.000 1.397 344 R HN 0.304 nan 8.270 nan 0.000 0.581 345 E N 0.776 120.942 120.200 -0.057 0.000 2.404 345 E HA 0.203 4.554 4.350 0.001 0.000 0.261 345 E C -0.055 176.418 176.600 -0.212 0.000 1.074 345 E CA -0.011 56.277 56.400 -0.185 0.000 0.917 345 E CB 0.564 30.076 29.700 -0.314 0.000 0.965 345 E HN 0.255 nan 8.360 nan 0.000 0.433 346 A N 2.433 124.985 122.820 -0.447 0.000 2.404 346 A HA 0.129 4.449 4.320 0.001 0.000 0.273 346 A C 0.970 178.228 177.584 -0.545 0.000 1.144 346 A CA -0.383 51.168 52.037 -0.811 0.000 0.806 346 A CB 0.035 18.001 19.000 -1.723 0.000 1.080 346 A HN 0.696 nan 8.150 nan 0.000 0.509 347 T N 2.083 116.425 114.554 -0.354 0.000 2.833 347 T HA -0.208 4.143 4.350 0.001 0.000 0.269 347 T C 1.420 175.824 174.700 -0.493 0.000 1.054 347 T CA 2.139 64.095 62.100 -0.240 0.000 1.135 347 T CB -0.402 68.465 68.868 -0.002 0.000 0.869 347 T HN 1.011 nan 8.240 nan 0.000 0.466 348 W N 1.816 122.815 121.300 -0.503 0.000 2.392 348 W HA 0.125 4.786 4.660 0.001 0.000 0.279 348 W C 1.300 177.530 176.519 -0.482 0.000 1.225 348 W CA 0.032 56.910 57.345 -0.779 0.000 1.233 348 W CB -1.196 28.080 29.460 -0.306 0.000 1.122 348 W HN 0.126 nan 8.180 nan 0.000 0.561 349 L N 1.965 123.005 121.223 -0.305 0.000 2.265 349 L HA -0.192 4.149 4.340 0.001 0.000 0.215 349 L C 2.832 179.653 176.870 -0.081 0.000 1.117 349 L CA 1.668 56.428 54.840 -0.133 0.000 0.782 349 L CB -0.920 40.996 42.059 -0.237 0.000 0.914 349 L HN 0.285 nan 8.230 nan 0.000 0.441 350 S N -0.671 114.967 115.700 -0.103 0.000 2.453 350 S HA 0.000 4.471 4.470 0.001 0.000 0.231 350 S C 1.702 176.252 174.600 -0.083 0.000 1.005 350 S CA 0.657 58.841 58.200 -0.027 0.000 0.949 350 S CB 0.047 63.234 63.200 -0.022 0.000 0.774 350 S HN 0.534 nan 8.310 nan 0.000 0.510 351 G N 0.110 108.792 108.800 -0.197 0.000 2.176 351 G HA2 -0.296 3.665 3.960 0.001 0.000 0.253 351 G HA3 -0.296 3.665 3.960 0.001 0.000 0.253 351 G C 0.242 175.155 174.900 0.021 0.000 0.979 351 G CA -0.106 44.956 45.100 -0.065 0.000 0.641 351 G HN 0.747 nan 8.290 nan 0.000 0.530 352 Y N -1.504 118.735 120.300 -0.101 0.000 3.225 352 Y HA -0.167 4.384 4.550 0.001 0.000 0.211 352 Y C -1.287 174.625 175.900 0.019 0.000 1.223 352 Y CA 0.276 58.252 58.100 -0.208 0.000 1.284 352 Y CB -2.291 35.867 38.460 -0.503 0.000 1.367 352 Y HN 0.483 nan 8.280 nan 0.000 0.566 353 P HA 0.048 nan 4.420 nan 0.000 0.267 353 P C 0.863 178.135 177.300 -0.047 0.000 1.209 353 P CA 0.542 63.682 63.100 0.068 0.000 0.763 353 P CB 1.144 32.875 31.700 0.052 0.000 0.816 354 T N -2.135 112.259 114.554 -0.266 0.000 3.188 354 T HA 0.028 4.378 4.350 0.001 0.000 0.250 354 T C 0.539 174.926 174.700 -0.523 0.000 1.077 354 T CA -0.002 61.572 62.100 -0.877 0.000 0.967 354 T CB -0.520 67.909 68.868 -0.732 0.000 1.006 354 T HN 0.409 nan 8.240 nan 0.000 0.552 355 D N 0.732 121.012 120.400 -0.200 0.000 2.535 355 D HA 0.100 4.740 4.640 0.001 0.000 0.229 355 D C 0.581 176.886 176.300 0.010 0.000 1.238 355 D CA -0.341 53.621 54.000 -0.063 0.000 0.824 355 D CB -0.052 40.722 40.800 -0.043 0.000 1.045 355 D HN 0.410 nan 8.370 nan 0.000 0.500 356 S N -0.110 115.616 115.700 0.044 0.000 2.584 356 S HA 0.042 4.512 4.470 0.001 0.000 0.270 356 S C 1.180 175.844 174.600 0.106 0.000 1.346 356 S CA -0.271 57.985 58.200 0.094 0.000 1.018 356 S CB 1.754 65.039 63.200 0.141 0.000 0.899 356 S HN 0.097 nan 8.310 nan 0.000 0.542 357 E N 0.725 120.965 120.200 0.066 0.000 2.058 357 E HA -0.127 4.224 4.350 0.001 0.000 0.194 357 E C 1.701 178.328 176.600 0.046 0.000 0.997 357 E CA 1.148 57.571 56.400 0.038 0.000 0.801 357 E CB -0.201 29.495 29.700 -0.005 0.000 0.746 357 E HN 0.573 nan 8.360 nan 0.000 0.450 358 L N -0.112 121.145 121.223 0.056 0.000 2.240 358 L HA -0.122 4.218 4.340 0.001 0.000 0.211 358 L C 2.247 179.164 176.870 0.077 0.000 1.106 358 L CA 1.176 56.047 54.840 0.051 0.000 0.793 358 L CB -1.293 40.800 42.059 0.056 0.000 0.927 358 L HN 0.202 nan 8.230 nan 0.000 0.446 359 Y N 1.602 121.915 120.300 0.021 0.000 2.128 359 Y HA -0.295 4.256 4.550 0.001 0.000 0.284 359 Y C 2.618 178.498 175.900 -0.034 0.000 1.154 359 Y CA 1.905 60.005 58.100 -0.000 0.000 1.149 359 Y CB -0.001 38.464 38.460 0.008 0.000 0.976 359 Y HN 0.081 nan 8.280 nan 0.000 0.505 360 K N -0.345 120.181 120.400 0.211 0.000 2.026 360 K HA -0.177 4.144 4.320 0.001 0.000 0.208 360 K C 2.054 178.652 176.600 -0.004 0.000 1.048 360 K CA 1.336 57.687 56.287 0.106 0.000 0.929 360 K CB -0.515 32.032 32.500 0.078 0.000 0.713 360 K HN 0.284 nan 8.250 nan 0.000 0.439 361 L N 1.861 123.076 121.223 -0.014 0.000 2.012 361 L HA -0.188 4.153 4.340 0.001 0.000 0.210 361 L C 2.005 178.821 176.870 -0.090 0.000 1.073 361 L CA 1.789 56.601 54.840 -0.047 0.000 0.748 361 L CB -0.701 41.336 42.059 -0.036 0.000 0.891 361 L HN 0.246 nan 8.230 nan 0.000 0.431 362 I N 0.356 120.859 120.570 -0.112 0.000 2.163 362 I HA -0.305 3.866 4.170 0.001 0.000 0.243 362 I C 2.795 178.748 176.117 -0.273 0.000 1.085 362 I CA 1.317 62.508 61.300 -0.181 0.000 1.347 362 I CB -0.521 37.381 38.000 -0.163 0.000 1.044 362 I HN 0.335 nan 8.210 nan 0.000 0.408 363 A N -0.044 122.610 122.820 -0.278 0.000 1.908 363 A HA -0.207 4.114 4.320 0.001 0.000 0.218 363 A C 2.471 179.939 177.584 -0.192 0.000 1.181 363 A CA 2.303 54.181 52.037 -0.266 0.000 0.627 363 A CB -0.694 18.197 19.000 -0.181 0.000 0.818 363 A HN 0.407 nan 8.150 nan 0.000 0.445 364 S N -0.411 115.204 115.700 -0.141 0.000 2.387 364 S HA 0.077 4.548 4.470 0.001 0.000 0.226 364 S C 2.259 176.773 174.600 -0.143 0.000 1.026 364 S CA 0.979 59.104 58.200 -0.125 0.000 0.972 364 S CB -0.334 62.812 63.200 -0.090 0.000 0.814 364 S HN 0.778 nan 8.310 nan 0.000 0.477 365 A N 2.521 125.252 122.820 -0.147 0.000 1.897 365 A HA -0.064 4.257 4.320 0.001 0.000 0.215 365 A C 1.956 179.433 177.584 -0.178 0.000 1.181 365 A CA 1.195 53.146 52.037 -0.142 0.000 0.620 365 A CB -0.585 18.344 19.000 -0.118 0.000 0.821 365 A HN 0.391 nan 8.150 nan 0.000 0.443 366 N N 0.440 119.001 118.700 -0.233 0.000 2.244 366 N HA -0.090 4.650 4.740 0.001 0.000 0.183 366 N C 1.898 177.275 175.510 -0.221 0.000 1.016 366 N CA 1.358 54.249 53.050 -0.265 0.000 0.866 366 N CB -0.448 37.793 38.487 -0.411 0.000 0.980 366 N HN 0.453 nan 8.380 nan 0.000 0.430 367 A N 1.030 123.728 122.820 -0.203 0.000 1.883 367 A HA -0.137 4.183 4.320 0.001 0.000 0.217 367 A C 2.254 179.735 177.584 -0.173 0.000 1.186 367 A CA 1.106 53.040 52.037 -0.172 0.000 0.624 367 A CB -0.654 18.249 19.000 -0.161 0.000 0.822 367 A HN 0.229 nan 8.150 nan 0.000 0.444 368 I N -0.473 119.976 120.570 -0.202 0.000 2.315 368 I HA -0.143 4.028 4.170 0.001 0.000 0.248 368 I C 2.393 178.323 176.117 -0.312 0.000 1.117 368 I CA 1.559 62.704 61.300 -0.259 0.000 1.404 368 I CB -0.406 37.426 38.000 -0.281 0.000 1.071 368 I HN 0.398 nan 8.210 nan 0.000 0.419 369 R N 0.291 120.626 120.500 -0.276 0.000 2.073 369 R HA -0.199 4.141 4.340 0.001 0.000 0.234 369 R C 2.040 178.133 176.300 -0.345 0.000 1.134 369 R CA 1.862 57.753 56.100 -0.348 0.000 0.952 369 R CB -0.315 29.871 30.300 -0.190 0.000 0.850 369 R HN 0.373 nan 8.270 nan 0.000 0.433 370 N N -0.132 118.433 118.700 -0.224 0.000 2.166 370 N HA -0.205 4.536 4.740 0.001 0.000 0.186 370 N C 1.469 176.879 175.510 -0.166 0.000 1.019 370 N CA 1.232 54.175 53.050 -0.177 0.000 0.856 370 N CB -0.523 37.883 38.487 -0.137 0.000 0.993 370 N HN 0.324 nan 8.380 nan 0.000 0.426 371 Y N 1.393 121.526 120.300 -0.278 0.000 2.200 371 Y HA -0.007 4.544 4.550 0.001 0.000 0.290 371 Y C 2.244 177.975 175.900 -0.280 0.000 1.137 371 Y CA 1.384 59.334 58.100 -0.249 0.000 1.163 371 Y CB -0.498 37.808 38.460 -0.256 0.000 0.988 371 Y HN 0.060 nan 8.280 nan 0.000 0.518 372 A N 0.686 123.235 122.820 -0.450 0.000 1.902 372 A HA -0.200 4.121 4.320 0.001 0.000 0.217 372 A C 2.173 179.489 177.584 -0.447 0.000 1.181 372 A CA 2.033 53.751 52.037 -0.533 0.000 0.623 372 A CB -1.437 17.144 19.000 -0.698 0.000 0.818 372 A HN 0.717 nan 8.150 nan 0.000 0.443 373 I N -1.240 119.066 120.570 -0.441 0.000 2.493 373 I HA -0.110 4.061 4.170 0.001 0.000 0.254 373 I C 2.196 178.206 176.117 -0.180 0.000 1.160 373 I CA 2.114 63.283 61.300 -0.218 0.000 1.445 373 I CB -0.486 37.450 38.000 -0.107 0.000 1.086 373 I HN 0.238 nan 8.210 nan 0.000 0.433 374 S N 0.988 116.537 115.700 -0.252 0.000 2.400 374 S HA -0.152 4.318 4.470 0.001 0.000 0.232 374 S C 1.869 176.327 174.600 -0.237 0.000 1.025 374 S CA 1.260 59.319 58.200 -0.236 0.000 0.993 374 S CB -0.321 62.695 63.200 -0.307 0.000 0.808 374 S HN 0.531 nan 8.310 nan 0.000 0.478 375 K N 0.509 120.730 120.400 -0.298 0.000 2.360 375 K HA 0.306 4.626 4.320 0.001 0.000 0.196 375 K C -0.286 176.257 176.600 -0.095 0.000 1.049 375 K CA 0.250 56.407 56.287 -0.216 0.000 1.049 375 K CB 0.054 32.378 32.500 -0.293 0.000 0.881 375 K HN 0.483 nan 8.250 nan 0.000 0.542 376 D N 0.727 121.090 120.400 -0.061 0.000 2.358 376 D HA 0.028 4.668 4.640 0.001 0.000 0.253 376 D C 0.640 176.976 176.300 0.060 0.000 1.288 376 D CA -0.181 53.834 54.000 0.025 0.000 0.950 376 D CB 1.099 41.948 40.800 0.081 0.000 1.197 376 D HN 0.011 nan 8.370 nan 0.000 0.550 377 T N -0.088 114.490 114.554 0.040 0.000 3.077 377 T HA 0.034 4.385 4.350 0.001 0.000 0.269 377 T C 1.527 176.276 174.700 0.081 0.000 1.146 377 T CA 0.794 62.923 62.100 0.048 0.000 1.091 377 T CB 0.021 68.904 68.868 0.025 0.000 0.892 377 T HN 0.323 nan 8.240 nan 0.000 0.533 378 G N -0.525 108.341 108.800 0.110 0.000 3.126 378 G HA2 0.223 4.184 3.960 0.001 0.000 0.224 378 G HA3 0.223 4.184 3.960 0.001 0.000 0.224 378 G C 0.776 175.779 174.900 0.171 0.000 1.142 378 G CA -0.292 44.886 45.100 0.130 0.000 0.759 378 G HN 0.453 nan 8.290 nan 0.000 0.550 379 F N 2.365 122.341 119.950 0.043 0.000 2.069 379 F HA -0.204 4.324 4.527 0.001 0.000 0.298 379 F C 2.611 178.453 175.800 0.071 0.000 1.113 379 F CA 2.274 60.298 58.000 0.039 0.000 1.214 379 F CB -0.174 38.823 39.000 -0.006 0.000 0.978 379 F HN 0.054 nan 8.300 nan 0.000 0.474 380 V N -1.692 118.315 119.914 0.155 0.000 2.759 380 V HA -0.142 3.979 4.120 0.001 0.000 0.256 380 V C 1.725 177.807 176.094 -0.020 0.000 1.080 380 V CA 2.054 64.376 62.300 0.035 0.000 1.101 380 V CB -1.778 30.114 31.823 0.114 0.000 0.698 380 V HN 0.563 nan 8.190 nan 0.000 0.477 381 T N -4.268 110.296 114.554 0.016 0.000 3.069 381 T HA 0.221 4.572 4.350 0.001 0.000 0.252 381 T C 0.489 175.189 174.700 0.000 0.000 1.053 381 T CA -0.155 61.948 62.100 0.004 0.000 0.964 381 T CB -0.520 68.357 68.868 0.015 0.000 1.005 381 T HN 0.498 nan 8.240 nan 0.000 0.532 382 Y N 2.945 123.178 120.300 -0.111 0.000 2.496 382 Y HA 0.436 4.987 4.550 0.001 0.000 0.334 382 Y C 0.237 176.059 175.900 -0.130 0.000 1.080 382 Y CA -1.098 56.938 58.100 -0.106 0.000 1.355 382 Y CB 0.418 38.816 38.460 -0.103 0.000 1.193 382 Y HN -0.142 nan 8.280 nan 0.000 0.523 383 K N 5.244 125.494 120.400 -0.249 0.000 2.349 383 K HA 0.051 4.371 4.320 0.001 0.000 0.289 383 K C -0.272 176.344 176.600 0.027 0.000 1.064 383 K CA -0.082 56.132 56.287 -0.121 0.000 0.947 383 K CB -0.062 32.334 32.500 -0.174 0.000 1.007 383 K HN 0.665 nan 8.250 nan 0.000 0.478 384 N N 2.485 121.222 118.700 0.062 0.000 2.293 384 N HA -0.077 4.664 4.740 0.001 0.000 0.253 384 N C -1.364 174.271 175.510 0.208 0.000 1.248 384 N CA 0.259 53.382 53.050 0.120 0.000 0.845 384 N CB 0.276 38.764 38.487 0.002 0.000 1.073 384 N HN 0.432 nan 8.380 nan 0.000 0.464 385 W N 7.029 128.348 121.300 0.032 0.000 2.683 385 W HA 0.542 5.203 4.660 0.001 0.000 0.329 385 W C -2.855 173.660 176.519 -0.006 0.000 1.037 385 W CA -2.791 54.550 57.345 -0.005 0.000 1.232 385 W CB 1.059 30.545 29.460 0.043 0.000 1.390 385 W HN 0.460 nan 8.180 nan 0.000 0.465 386 P HA 0.158 nan 4.420 nan 0.000 0.282 386 P C 0.741 177.941 177.300 -0.166 0.000 1.274 386 P CA 0.136 63.198 63.100 -0.064 0.000 0.770 386 P CB 0.662 32.256 31.700 -0.177 0.000 0.867 387 I N 0.389 120.812 120.570 -0.245 0.000 3.968 387 I HA 0.395 4.566 4.170 0.001 0.000 0.328 387 I C -0.392 175.797 176.117 0.120 0.000 1.290 387 I CA -0.055 61.073 61.300 -0.287 0.000 1.163 387 I CB 0.041 37.689 38.000 -0.587 0.000 1.024 387 I HN 0.128 nan 8.210 nan 0.000 0.413 388 Y N 2.691 123.033 120.300 0.069 0.000 2.565 388 Y HA 0.539 5.090 4.550 0.001 0.000 0.330 388 Y C -1.873 174.106 175.900 0.132 0.000 1.150 388 Y CA -1.282 56.874 58.100 0.094 0.000 1.055 388 Y CB 1.283 39.761 38.460 0.030 0.000 1.337 388 Y HN 0.219 nan 8.280 nan 0.000 0.457 389 K N 2.840 122.770 120.400 -0.782 0.000 2.551 389 K HA 0.737 5.058 4.320 0.001 0.000 0.269 389 K C -2.135 174.001 176.600 -0.773 0.000 0.949 389 K CA -0.800 55.150 56.287 -0.561 0.000 0.849 389 K CB 2.903 35.240 32.500 -0.270 0.000 1.411 389 K HN 0.593 nan 8.250 nan 0.000 0.432 390 D N -0.475 119.694 120.400 -0.385 0.000 2.798 390 D HA 0.229 4.870 4.640 0.001 0.000 0.308 390 D C -0.198 176.028 176.300 -0.123 0.000 1.187 390 D CA -0.537 53.325 54.000 -0.230 0.000 1.033 390 D CB 0.373 41.119 40.800 -0.091 0.000 1.445 390 D HN 0.450 nan 8.370 nan 0.000 0.550 391 D N -0.980 119.372 120.400 -0.080 0.000 2.218 391 D HA -0.071 4.570 4.640 0.001 0.000 0.204 391 D C 1.213 177.482 176.300 -0.052 0.000 0.976 391 D CA 2.262 56.220 54.000 -0.070 0.000 0.853 391 D CB -0.128 40.639 40.800 -0.056 0.000 0.939 391 D HN 0.618 nan 8.370 nan 0.000 0.481 392 T N -3.372 111.177 114.554 -0.009 0.000 3.170 392 T HA 0.250 4.601 4.350 0.001 0.000 0.288 392 T C 0.266 175.009 174.700 0.072 0.000 0.992 392 T CA -0.432 61.679 62.100 0.018 0.000 0.909 392 T CB 0.566 69.463 68.868 0.049 0.000 1.133 392 T HN -0.212 nan 8.240 nan 0.000 0.530 393 T N 1.792 116.392 114.554 0.076 0.000 2.916 393 T HA 0.722 5.072 4.350 0.001 0.000 0.305 393 T C -1.516 173.269 174.700 0.141 0.000 1.119 393 T CA -0.661 61.539 62.100 0.166 0.000 1.008 393 T CB 2.361 71.402 68.868 0.289 0.000 1.129 393 T HN 0.386 nan 8.240 nan 0.000 0.480 394 I N 1.397 122.096 120.570 0.214 0.000 2.656 394 I HA 0.770 4.940 4.170 0.001 0.000 0.292 394 I C -1.505 174.775 176.117 0.271 0.000 1.144 394 I CA -0.799 60.640 61.300 0.231 0.000 1.038 394 I CB 1.393 39.534 38.000 0.235 0.000 1.244 394 I HN 0.848 nan 8.210 nan 0.000 0.420 395 A N 8.292 131.272 122.820 0.267 0.000 2.386 395 A HA 0.928 5.249 4.320 0.001 0.000 0.311 395 A C -0.878 176.765 177.584 0.099 0.000 1.068 395 A CA -0.683 51.464 52.037 0.184 0.000 0.743 395 A CB 1.663 20.761 19.000 0.164 0.000 1.258 395 A HN 0.719 nan 8.150 nan 0.000 0.429 396 M N 0.919 120.544 119.600 0.042 0.000 2.593 396 M HA 0.741 5.221 4.480 0.001 0.000 0.290 396 M C -0.548 175.708 176.300 -0.073 0.000 1.244 396 M CA -0.741 54.544 55.300 -0.025 0.000 0.857 396 M CB 2.297 34.912 32.600 0.025 0.000 1.738 396 M HN 0.702 nan 8.290 nan 0.000 0.461 397 R N 1.412 121.849 120.500 -0.105 0.000 2.532 397 R HA 0.658 4.999 4.340 0.001 0.000 0.297 397 R C -1.899 174.427 176.300 0.044 0.000 0.984 397 R CA -0.537 55.510 56.100 -0.089 0.000 0.884 397 R CB 2.241 32.377 30.300 -0.273 0.000 1.182 397 R HN 0.905 nan 8.270 nan 0.000 0.442 398 K N 2.796 123.174 120.400 -0.037 0.000 2.525 398 K HA 0.630 4.951 4.320 0.001 0.000 0.254 398 K C -1.556 174.887 176.600 -0.263 0.000 0.934 398 K CA -0.221 55.978 56.287 -0.147 0.000 0.802 398 K CB 2.086 34.498 32.500 -0.147 0.000 1.295 398 K HN 0.876 nan 8.250 nan 0.000 0.433 399 G N 1.284 109.680 108.800 -0.672 0.000 2.402 399 G HA2 -0.080 3.881 3.960 0.001 0.000 0.666 399 G HA3 -0.080 3.881 3.960 0.001 0.000 0.666 399 G C -0.935 173.612 174.900 -0.588 0.000 1.402 399 G CA -0.999 43.936 45.100 -0.276 0.000 0.920 399 G HN 0.473 nan 8.290 nan 0.000 0.651 400 T N 2.473 116.929 114.554 -0.162 0.000 2.934 400 T HA 0.276 4.626 4.350 0.001 0.000 0.306 400 T C 0.536 175.202 174.700 -0.056 0.000 1.042 400 T CA 0.397 62.474 62.100 -0.038 0.000 1.145 400 T CB 0.262 69.164 68.868 0.058 0.000 0.982 400 T HN 0.520 nan 8.240 nan 0.000 0.544 401 D N 2.055 122.460 120.400 0.007 0.000 2.648 401 D HA 0.196 4.837 4.640 0.001 0.000 0.229 401 D C 1.449 177.754 176.300 0.009 0.000 1.119 401 D CA 1.671 55.677 54.000 0.010 0.000 0.850 401 D CB 0.306 41.142 40.800 0.059 0.000 1.169 401 D HN 0.891 nan 8.370 nan 0.000 0.489 402 G N 1.484 110.287 108.800 0.005 0.000 2.258 402 G HA2 -0.288 3.672 3.960 0.001 0.000 0.233 402 G HA3 -0.288 3.672 3.960 0.001 0.000 0.233 402 G C 0.926 175.830 174.900 0.008 0.000 1.006 402 G CA 0.318 45.431 45.100 0.023 0.000 0.620 402 G HN 0.479 nan 8.290 nan 0.000 0.511 403 S N 1.508 117.209 115.700 0.002 0.000 2.846 403 S HA 0.244 4.715 4.470 0.001 0.000 0.249 403 S C 0.662 175.319 174.600 0.096 0.000 1.028 403 S CA 0.244 58.439 58.200 -0.009 0.000 1.043 403 S CB 0.477 63.700 63.200 0.039 0.000 0.990 403 S HN 0.840 nan 8.310 nan 0.000 0.564 404 Q N 1.485 121.328 119.800 0.073 0.000 2.392 404 Q HA 0.275 4.616 4.340 0.001 0.000 0.262 404 Q C -0.445 175.712 176.000 0.262 0.000 1.003 404 Q CA 0.287 56.130 55.803 0.067 0.000 0.888 404 Q CB 0.637 29.291 28.738 -0.140 0.000 1.260 404 Q HN 0.366 nan 8.270 nan 0.000 0.435 405 I N 1.888 122.621 120.570 0.272 0.000 2.385 405 I HA 0.260 4.431 4.170 0.001 0.000 0.294 405 I C -0.481 175.736 176.117 0.167 0.000 0.988 405 I CA -1.094 60.384 61.300 0.296 0.000 1.265 405 I CB 1.739 39.888 38.000 0.249 0.000 1.388 405 I HN 0.367 nan 8.210 nan 0.000 0.480 406 V N 5.097 125.117 119.914 0.176 0.000 2.378 406 V HA 0.339 4.460 4.120 0.001 0.000 0.288 406 V C -0.077 176.066 176.094 0.082 0.000 1.016 406 V CA -0.384 61.968 62.300 0.086 0.000 0.840 406 V CB 1.706 33.583 31.823 0.091 0.000 0.994 406 V HN 0.742 nan 8.190 nan 0.000 0.431 407 T N 6.440 121.026 114.554 0.054 0.000 2.779 407 T HA 0.693 5.043 4.350 0.001 0.000 0.280 407 T C -0.418 174.327 174.700 0.075 0.000 0.987 407 T CA -0.144 61.989 62.100 0.056 0.000 0.966 407 T CB 1.141 70.033 68.868 0.040 0.000 0.933 407 T HN 0.356 nan 8.240 nan 0.000 0.442 408 I N 4.152 124.767 120.570 0.075 0.000 2.382 408 I HA 0.393 4.564 4.170 0.001 0.000 0.285 408 I C -0.473 175.719 176.117 0.126 0.000 1.007 408 I CA -0.330 61.031 61.300 0.101 0.000 1.142 408 I CB 0.971 39.010 38.000 0.064 0.000 1.289 408 I HN 0.361 nan 8.210 nan 0.000 0.453 409 L N 4.773 126.114 121.223 0.197 0.000 2.331 409 L HA 0.726 5.066 4.340 0.001 0.000 0.275 409 L C 0.115 177.175 176.870 0.316 0.000 1.022 409 L CA -0.521 54.470 54.840 0.251 0.000 0.812 409 L CB 1.921 44.190 42.059 0.349 0.000 1.257 409 L HN 0.561 nan 8.230 nan 0.000 0.435 410 S N 0.687 116.588 115.700 0.335 0.000 2.548 410 S HA 0.434 4.905 4.470 0.001 0.000 0.286 410 S C -0.333 174.480 174.600 0.355 0.000 1.098 410 S CA -0.751 57.624 58.200 0.293 0.000 0.930 410 S CB 1.386 64.711 63.200 0.208 0.000 1.070 410 S HN 0.750 nan 8.310 nan 0.000 0.480 411 N N 2.722 121.544 118.700 0.203 0.000 2.282 411 N HA 0.212 4.953 4.740 0.001 0.000 0.240 411 N C 0.483 176.070 175.510 0.129 0.000 1.182 411 N CA -0.436 52.717 53.050 0.172 0.000 0.874 411 N CB 0.112 38.576 38.487 -0.038 0.000 1.126 411 N HN 0.529 nan 8.380 nan 0.000 0.516 412 K N 0.152 120.637 120.400 0.141 0.000 2.211 412 K HA 0.097 4.417 4.320 0.001 0.000 0.203 412 K C 0.636 177.305 176.600 0.115 0.000 1.050 412 K CA 0.900 57.258 56.287 0.118 0.000 0.945 412 K CB -0.257 32.329 32.500 0.144 0.000 0.732 412 K HN 0.467 nan 8.250 nan 0.000 0.451 413 G N -0.461 108.421 108.800 0.137 0.000 2.712 413 G HA2 -0.194 3.767 3.960 0.001 0.000 0.683 413 G HA3 -0.194 3.767 3.960 0.001 0.000 0.683 413 G C 0.396 175.359 174.900 0.104 0.000 1.320 413 G CA -0.359 44.816 45.100 0.125 0.000 0.847 413 G HN 0.165 nan 8.290 nan 0.000 0.553 414 A N -0.543 122.333 122.820 0.094 0.000 2.172 414 A HA 0.338 4.659 4.320 0.001 0.000 0.216 414 A C 2.391 180.015 177.584 0.067 0.000 1.154 414 A CA 2.574 54.656 52.037 0.076 0.000 0.701 414 A CB -0.252 18.790 19.000 0.070 0.000 0.789 414 A HN 1.460 nan 8.150 nan 0.000 0.465 415 S N -0.423 115.318 115.700 0.069 0.000 2.556 415 S HA 0.258 4.728 4.470 0.001 0.000 0.216 415 S C 1.185 175.826 174.600 0.069 0.000 0.970 415 S CA 0.140 58.376 58.200 0.061 0.000 0.912 415 S CB -0.090 63.142 63.200 0.053 0.000 0.790 415 S HN 0.751 nan 8.310 nan 0.000 0.504 416 G N 3.553 112.404 108.800 0.086 0.000 2.287 416 G HA2 0.084 4.045 3.960 0.001 0.000 0.235 416 G HA3 0.084 4.045 3.960 0.001 0.000 0.235 416 G C -0.053 174.919 174.900 0.119 0.000 1.258 416 G CA -0.322 44.844 45.100 0.110 0.000 0.884 416 G HN 0.424 nan 8.290 nan 0.000 0.518 417 D N 0.287 120.770 120.400 0.139 0.000 2.371 417 D HA 0.236 4.877 4.640 0.001 0.000 0.242 417 D C 0.431 176.870 176.300 0.232 0.000 1.218 417 D CA -0.148 53.939 54.000 0.146 0.000 0.945 417 D CB 0.926 41.789 40.800 0.106 0.000 1.137 417 D HN 0.401 nan 8.370 nan 0.000 0.464 418 S N -0.242 115.566 115.700 0.181 0.000 2.462 418 S HA 0.609 5.080 4.470 0.001 0.000 0.294 418 S C -0.660 174.082 174.600 0.237 0.000 1.144 418 S CA -0.748 57.539 58.200 0.147 0.000 1.088 418 S CB 0.467 63.706 63.200 0.066 0.000 1.009 418 S HN 0.672 nan 8.310 nan 0.000 0.484 419 Y N -1.177 119.133 120.300 0.017 0.000 2.788 419 Y HA 0.745 5.296 4.550 0.001 0.000 0.335 419 Y C -1.213 174.694 175.900 0.011 0.000 1.287 419 Y CA -1.222 56.887 58.100 0.015 0.000 1.068 419 Y CB 0.647 39.119 38.460 0.020 0.000 1.340 419 Y HN 0.484 nan 8.280 nan 0.000 0.449 420 T N 3.159 117.766 114.554 0.089 0.000 2.786 420 T HA 0.508 4.859 4.350 0.001 0.000 0.283 420 T C -1.426 173.301 174.700 0.046 0.000 0.992 420 T CA -0.418 61.666 62.100 -0.026 0.000 0.954 420 T CB 1.124 70.000 68.868 0.013 0.000 0.934 420 T HN 0.741 nan 8.240 nan 0.000 0.440 421 L N 3.644 124.824 121.223 -0.073 0.000 2.275 421 L HA 0.585 4.925 4.340 0.001 0.000 0.288 421 L C -0.149 176.696 176.870 -0.042 0.000 1.046 421 L CA -0.017 54.830 54.840 0.011 0.000 0.805 421 L CB 1.197 43.230 42.059 -0.043 0.000 1.193 421 L HN 0.531 nan 8.230 nan 0.000 0.426 422 S N 6.514 122.192 115.700 -0.037 0.000 2.415 422 S HA 0.446 4.917 4.470 0.001 0.000 0.313 422 S C -0.428 174.088 174.600 -0.139 0.000 1.067 422 S CA -0.466 57.697 58.200 -0.061 0.000 1.099 422 S CB 0.487 63.671 63.200 -0.027 0.000 0.991 422 S HN 0.571 nan 8.310 nan 0.000 0.491 423 L N 4.507 125.636 121.223 -0.158 0.000 2.276 423 L HA 0.506 4.846 4.340 0.001 0.000 0.286 423 L C 0.217 177.001 176.870 -0.144 0.000 1.061 423 L CA 0.173 54.867 54.840 -0.244 0.000 0.807 423 L CB 0.818 42.759 42.059 -0.198 0.000 1.177 423 L HN 0.659 nan 8.230 nan 0.000 0.429 424 S N 2.420 118.037 115.700 -0.140 0.000 2.638 424 S HA 0.835 5.306 4.470 0.001 0.000 0.298 424 S C 0.738 175.302 174.600 -0.059 0.000 1.111 424 S CA -0.145 58.021 58.200 -0.056 0.000 1.027 424 S CB 1.603 64.799 63.200 -0.007 0.000 1.064 424 S HN 1.489 nan 8.310 nan 0.000 0.525 425 G N -0.001 108.770 108.800 -0.049 0.000 2.175 425 G HA2 -0.161 3.800 3.960 0.001 0.000 0.244 425 G HA3 -0.161 3.800 3.960 0.001 0.000 0.244 425 G C 0.898 175.678 174.900 -0.200 0.000 0.982 425 G CA 0.178 45.226 45.100 -0.086 0.000 0.641 425 G HN 1.432 nan 8.290 nan 0.000 0.527 426 A N -0.029 122.677 122.820 -0.190 0.000 1.969 426 A HA 0.466 4.787 4.320 0.001 0.000 0.218 426 A C 2.895 180.193 177.584 -0.478 0.000 1.169 426 A CA 2.455 54.301 52.037 -0.318 0.000 0.635 426 A CB -0.604 18.288 19.000 -0.181 0.000 0.810 426 A HN 2.519 nan 8.150 nan 0.000 0.445 427 G N -3.268 105.365 108.800 -0.279 0.000 2.141 427 G HA2 -0.251 3.709 3.960 0.001 0.000 0.242 427 G HA3 -0.251 3.709 3.960 0.001 0.000 0.242 427 G C -0.065 174.712 174.900 -0.205 0.000 0.982 427 G CA 0.350 45.324 45.100 -0.210 0.000 0.662 427 G HN 0.433 nan 8.290 nan 0.000 0.527 428 Y N 1.365 121.654 120.300 -0.019 0.000 2.354 428 Y HA 0.599 5.150 4.550 0.002 0.000 0.322 428 Y C 1.414 177.302 175.900 -0.020 0.000 1.253 428 Y CA -0.226 57.857 58.100 -0.029 0.000 1.272 428 Y CB 0.891 39.325 38.460 -0.042 0.000 1.255 428 Y HN 0.272 nan 8.280 nan 0.000 0.500 429 T N -1.037 113.610 114.554 0.155 0.000 2.899 429 T HA 0.695 5.045 4.350 0.001 0.000 0.284 429 T C 0.113 174.845 174.700 0.053 0.000 1.004 429 T CA -0.933 61.213 62.100 0.076 0.000 1.043 429 T CB 0.983 69.879 68.868 0.046 0.000 1.013 429 T HN 0.850 nan 8.240 nan 0.000 0.518 430 A N 0.703 123.544 122.820 0.035 0.000 2.546 430 A HA 0.497 4.818 4.320 0.001 0.000 0.243 430 A C 1.706 179.294 177.584 0.006 0.000 1.063 430 A CA 0.226 52.275 52.037 0.020 0.000 0.757 430 A CB -1.427 17.583 19.000 0.017 0.000 0.991 430 A HN 2.321 nan 8.150 nan 0.000 0.503 431 G N 0.928 109.726 108.800 -0.003 0.000 2.179 431 G HA2 -0.300 3.661 3.960 0.001 0.000 0.260 431 G HA3 -0.300 3.661 3.960 0.001 0.000 0.260 431 G C 0.416 175.297 174.900 -0.031 0.000 0.977 431 G CA 0.724 45.815 45.100 -0.016 0.000 0.641 431 G HN 1.230 nan 8.290 nan 0.000 0.533 432 Q N 0.511 120.290 119.800 -0.035 0.000 2.364 432 Q HA 0.448 4.789 4.340 0.001 0.000 0.267 432 Q C 0.503 176.437 176.000 -0.110 0.000 0.999 432 Q CA 0.050 55.810 55.803 -0.072 0.000 0.886 432 Q CB 0.346 29.034 28.738 -0.083 0.000 1.243 432 Q HN 0.552 nan 8.270 nan 0.000 0.415 433 Q N 3.435 123.164 119.800 -0.117 0.000 2.243 433 Q HA 0.480 4.821 4.340 0.001 0.000 0.252 433 Q C -1.469 174.420 176.000 -0.184 0.000 0.909 433 Q CA -0.427 55.302 55.803 -0.123 0.000 0.922 433 Q CB 0.729 29.414 28.738 -0.088 0.000 1.215 433 Q HN 0.650 nan 8.270 nan 0.000 0.427 434 L N 2.127 123.238 121.223 -0.186 0.000 2.370 434 L HA 0.557 4.898 4.340 0.001 0.000 0.266 434 L C -0.483 176.312 176.870 -0.124 0.000 1.002 434 L CA -0.909 53.795 54.840 -0.226 0.000 0.818 434 L CB 2.495 44.365 42.059 -0.315 0.000 1.325 434 L HN 0.596 nan 8.230 nan 0.000 0.418 435 T N 0.667 115.171 114.554 -0.083 0.000 2.824 435 T HA 0.203 4.553 4.350 0.001 0.000 0.280 435 T C -0.368 174.317 174.700 -0.024 0.000 0.995 435 T CA -0.406 61.668 62.100 -0.042 0.000 1.009 435 T CB 1.546 70.402 68.868 -0.020 0.000 0.955 435 T HN 0.372 nan 8.240 nan 0.000 0.452 436 E N 3.353 123.535 120.200 -0.031 0.000 2.001 436 E HA 0.143 4.494 4.350 0.001 0.000 0.279 436 E C 1.125 177.708 176.600 -0.029 0.000 1.045 436 E CA -0.368 56.018 56.400 -0.024 0.000 0.833 436 E CB 0.788 30.470 29.700 -0.030 0.000 1.077 436 E HN 0.550 nan 8.360 nan 0.000 0.397 437 V N 2.992 122.889 119.914 -0.028 0.000 3.380 437 V HA -0.078 4.043 4.120 0.001 0.000 0.268 437 V C 1.572 177.631 176.094 -0.059 0.000 1.168 437 V CA 0.394 62.663 62.300 -0.052 0.000 1.156 437 V CB -0.518 31.259 31.823 -0.075 0.000 0.785 437 V HN 0.479 nan 8.190 nan 0.000 0.487 438 I N 2.290 122.832 120.570 -0.047 0.000 2.296 438 I HA 0.149 4.319 4.170 0.001 0.000 0.242 438 I C 2.476 178.570 176.117 -0.039 0.000 1.087 438 I CA 1.851 63.124 61.300 -0.046 0.000 1.393 438 I CB -1.585 36.393 38.000 -0.037 0.000 1.093 438 I HN 0.460 nan 8.210 nan 0.000 0.421 439 G N -1.246 107.533 108.800 -0.034 0.000 3.088 439 G HA2 0.021 3.981 3.960 0.001 0.000 0.217 439 G HA3 0.021 3.981 3.960 0.001 0.000 0.217 439 G C 0.770 175.650 174.900 -0.033 0.000 1.159 439 G CA 0.272 45.353 45.100 -0.030 0.000 0.760 439 G HN 0.448 nan 8.290 nan 0.000 0.550 440 c N 0.753 119.330 118.600 -0.039 0.000 4.209 440 c HA -0.108 4.463 4.570 0.001 0.000 0.305 440 c C 0.985 175.052 174.090 -0.038 0.000 1.339 440 c CA 0.707 57.011 56.329 -0.042 0.000 2.062 440 c CB -2.945 39.538 42.510 -0.045 0.000 1.307 440 c HN 0.617 nan 8.230 nan 0.000 0.706 441 T N -0.153 114.379 114.554 -0.037 0.000 2.910 441 T HA 0.826 5.177 4.350 0.001 0.000 0.287 441 T C 0.200 174.875 174.700 -0.041 0.000 1.050 441 T CA 0.555 62.633 62.100 -0.037 0.000 1.011 441 T CB 1.817 70.664 68.868 -0.035 0.000 1.195 441 T HN 0.724 nan 8.240 nan 0.000 0.540 442 T N -0.388 114.140 114.554 -0.043 0.000 2.912 442 T HA 0.742 5.093 4.350 0.001 0.000 0.288 442 T C -0.224 174.444 174.700 -0.052 0.000 1.030 442 T CA -0.628 61.442 62.100 -0.051 0.000 1.020 442 T CB 1.193 70.031 68.868 -0.050 0.000 1.056 442 T HN 0.972 nan 8.240 nan 0.000 0.480 443 V N -0.741 119.134 119.914 -0.064 0.000 2.962 443 V HA 0.878 4.999 4.120 0.001 0.000 0.313 443 V C -0.763 175.287 176.094 -0.073 0.000 1.099 443 V CA -0.654 61.609 62.300 -0.062 0.000 0.971 443 V CB 2.004 33.792 31.823 -0.058 0.000 1.028 443 V HN 1.071 nan 8.190 nan 0.000 0.430 444 T N 3.307 117.826 114.554 -0.058 0.000 2.792 444 T HA 0.552 4.903 4.350 0.001 0.000 0.280 444 T C -0.247 174.427 174.700 -0.044 0.000 0.990 444 T CA -0.352 61.714 62.100 -0.057 0.000 0.960 444 T CB 1.407 70.250 68.868 -0.041 0.000 0.939 444 T HN 0.814 nan 8.240 nan 0.000 0.439 445 V N 3.525 123.413 119.914 -0.044 0.000 2.540 445 V HA 0.309 4.430 4.120 0.001 0.000 0.297 445 V C 1.405 177.497 176.094 -0.004 0.000 1.024 445 V CA -0.257 62.037 62.300 -0.010 0.000 1.105 445 V CB 0.295 32.125 31.823 0.012 0.000 0.938 445 V HN 1.033 nan 8.190 nan 0.000 0.482 446 G N 3.396 112.197 108.800 0.001 0.000 2.636 446 G HA2 0.241 4.202 3.960 0.001 0.000 0.246 446 G HA3 0.241 4.202 3.960 0.001 0.000 0.246 446 G C 1.143 176.048 174.900 0.007 0.000 1.216 446 G CA 0.181 45.282 45.100 0.001 0.000 0.854 446 G HN 0.988 nan 8.290 nan 0.000 0.572 447 S N -0.481 115.222 115.700 0.005 0.000 2.442 447 S HA -0.154 4.317 4.470 0.001 0.000 0.236 447 S C 1.302 175.909 174.600 0.012 0.000 1.007 447 S CA 1.538 59.743 58.200 0.008 0.000 0.965 447 S CB -0.116 63.087 63.200 0.006 0.000 0.773 447 S HN 0.671 nan 8.310 nan 0.000 0.504 448 D N -0.000 120.408 120.400 0.013 0.000 2.340 448 D HA 0.330 4.970 4.640 0.001 0.000 0.217 448 D C 1.322 177.633 176.300 0.020 0.000 1.081 448 D CA 0.393 54.402 54.000 0.016 0.000 0.842 448 D CB -0.558 40.251 40.800 0.014 0.000 0.934 448 D HN 0.517 nan 8.370 nan 0.000 0.511 449 G N 0.011 108.824 108.800 0.023 0.000 2.176 449 G HA2 -0.291 3.670 3.960 0.001 0.000 0.253 449 G HA3 -0.291 3.670 3.960 0.001 0.000 0.253 449 G C -0.109 174.809 174.900 0.029 0.000 0.979 449 G CA -0.163 44.956 45.100 0.032 0.000 0.641 449 G HN 0.486 nan 8.290 nan 0.000 0.530 450 N N -0.502 118.208 118.700 0.016 0.000 2.509 450 N HA 0.505 5.245 4.740 0.001 0.000 0.287 450 N C -0.305 175.208 175.510 0.006 0.000 1.121 450 N CA -0.415 52.638 53.050 0.003 0.000 0.977 450 N CB 1.789 40.272 38.487 -0.007 0.000 1.167 450 N HN 0.033 nan 8.380 nan 0.000 0.476 451 V N 3.038 122.950 119.914 -0.003 0.000 2.370 451 V HA 0.311 4.432 4.120 0.001 0.000 0.283 451 V C -2.200 173.876 176.094 -0.030 0.000 1.023 451 V CA -1.665 60.633 62.300 -0.003 0.000 0.857 451 V CB 1.284 33.123 31.823 0.026 0.000 0.985 451 V HN 0.613 nan 8.190 nan 0.000 0.443 452 P HA 0.235 nan 4.420 nan 0.000 0.274 452 P C -0.543 176.728 177.300 -0.049 0.000 1.470 452 P CA -0.138 62.941 63.100 -0.036 0.000 1.001 452 P CB 0.770 32.455 31.700 -0.025 0.000 1.332 453 V N 6.641 126.514 119.914 -0.068 0.000 2.364 453 V HA 0.252 4.372 4.120 0.001 0.000 0.272 453 V C -2.019 174.001 176.094 -0.123 0.000 1.036 453 V CA -2.138 60.112 62.300 -0.083 0.000 0.880 453 V CB 1.084 32.858 31.823 -0.081 0.000 0.991 453 V HN 0.342 nan 8.190 nan 0.000 0.460 454 P HA 0.239 nan 4.420 nan 0.000 0.270 454 P C -0.514 176.672 177.300 -0.190 0.000 1.242 454 P CA 0.075 63.095 63.100 -0.132 0.000 0.768 454 P CB 0.347 31.999 31.700 -0.080 0.000 0.820 455 M N 2.829 122.227 119.600 -0.335 0.000 2.404 455 M HA 0.784 5.265 4.480 0.001 0.000 0.338 455 M C -0.052 176.108 176.300 -0.234 0.000 1.150 455 M CA -0.610 54.456 55.300 -0.392 0.000 1.016 455 M CB 1.904 33.962 32.600 -0.904 0.000 1.672 455 M HN 0.408 nan 8.290 nan 0.000 0.448 456 A N 0.766 123.530 122.820 -0.094 0.000 2.586 456 A HA 0.581 4.902 4.320 0.001 0.000 0.296 456 A C 0.299 177.896 177.584 0.023 0.000 1.040 456 A CA -0.072 51.961 52.037 -0.006 0.000 0.701 456 A CB 0.366 19.359 19.000 -0.012 0.000 1.277 456 A HN 1.299 nan 8.150 nan 0.000 0.413 457 G N 0.058 108.887 108.800 0.049 0.000 2.212 457 G HA2 0.159 4.120 3.960 0.001 0.000 0.267 457 G HA3 0.159 4.120 3.960 0.001 0.000 0.267 457 G C 1.920 176.859 174.900 0.065 0.000 1.002 457 G CA 1.623 46.754 45.100 0.051 0.000 0.729 457 G HN 2.983 nan 8.290 nan 0.000 0.517 458 G N -2.178 106.673 108.800 0.084 0.000 2.187 458 G HA2 -0.147 3.814 3.960 0.001 0.000 0.261 458 G HA3 -0.147 3.814 3.960 0.001 0.000 0.261 458 G C 0.387 175.339 174.900 0.086 0.000 1.000 458 G CA 0.622 45.785 45.100 0.105 0.000 0.718 458 G HN 1.228 nan 8.290 nan 0.000 0.519 459 L N 1.569 122.822 121.223 0.051 0.000 2.417 459 L HA 0.429 4.769 4.340 0.001 0.000 0.268 459 L C -1.120 175.769 176.870 0.032 0.000 1.158 459 L CA -2.281 52.578 54.840 0.032 0.000 0.819 459 L CB 0.342 42.406 42.059 0.009 0.000 1.112 459 L HN 0.033 nan 8.230 nan 0.000 0.458 460 P HA 0.239 nan 4.420 nan 0.000 0.275 460 P C -0.917 176.387 177.300 0.007 0.000 1.228 460 P CA -0.538 62.576 63.100 0.023 0.000 0.786 460 P CB 0.910 32.608 31.700 -0.003 0.000 0.927 461 R N 1.710 122.218 120.500 0.013 0.000 2.513 461 R HA 0.558 4.899 4.340 0.001 0.000 0.301 461 R C -1.054 175.255 176.300 0.014 0.000 0.968 461 R CA -1.038 55.063 56.100 0.002 0.000 0.872 461 R CB 1.563 31.859 30.300 -0.008 0.000 1.177 461 R HN 0.242 nan 8.270 nan 0.000 0.444 462 V N 5.188 125.107 119.914 0.008 0.000 2.376 462 V HA 0.440 4.561 4.120 0.001 0.000 0.287 462 V C -0.077 176.041 176.094 0.040 0.000 1.015 462 V CA -0.693 61.620 62.300 0.021 0.000 0.834 462 V CB 1.765 33.584 31.823 -0.006 0.000 1.001 462 V HN 0.500 nan 8.190 nan 0.000 0.428 463 L N 5.167 126.441 121.223 0.085 0.000 2.322 463 L HA 0.689 5.029 4.340 0.001 0.000 0.279 463 L C -0.986 176.010 176.870 0.210 0.000 1.036 463 L CA -0.714 54.186 54.840 0.100 0.000 0.807 463 L CB 1.607 43.725 42.059 0.098 0.000 1.226 463 L HN 0.605 nan 8.230 nan 0.000 0.433 464 Y N 3.062 123.332 120.300 -0.051 0.000 2.552 464 Y HA 0.396 4.946 4.550 0.001 0.000 0.337 464 Y C -2.637 173.177 175.900 -0.144 0.000 1.094 464 Y CA -2.273 55.803 58.100 -0.040 0.000 1.028 464 Y CB 2.459 40.917 38.460 -0.004 0.000 1.321 464 Y HN 0.334 nan 8.280 nan 0.000 0.456 465 P HA 0.064 nan 4.420 nan 0.000 0.262 465 P C 0.397 177.543 177.300 -0.256 0.000 1.199 465 P CA 0.696 63.528 63.100 -0.446 0.000 0.763 465 P CB 0.826 32.260 31.700 -0.444 0.000 0.790 466 T N 2.508 116.966 114.554 -0.161 0.000 2.684 466 T HA -0.210 4.141 4.350 0.001 0.000 0.267 466 T C 1.571 176.236 174.700 -0.059 0.000 1.036 466 T CA 1.652 63.705 62.100 -0.079 0.000 1.148 466 T CB -0.427 68.393 68.868 -0.080 0.000 0.863 466 T HN 0.595 nan 8.240 nan 0.000 0.436 467 E N 1.984 122.135 120.200 -0.080 0.000 2.118 467 E HA -0.239 4.112 4.350 0.001 0.000 0.195 467 E C 1.723 178.310 176.600 -0.022 0.000 0.992 467 E CA 1.155 57.525 56.400 -0.051 0.000 0.804 467 E CB -0.294 29.369 29.700 -0.060 0.000 0.741 467 E HN 0.429 nan 8.360 nan 0.000 0.458 468 K N 0.458 120.828 120.400 -0.051 0.000 2.439 468 K HA 0.053 4.374 4.320 0.001 0.000 0.197 468 K C 2.051 178.818 176.600 0.278 0.000 1.041 468 K CA 0.420 56.738 56.287 0.050 0.000 0.970 468 K CB 0.032 32.463 32.500 -0.115 0.000 0.773 468 K HN 0.265 nan 8.250 nan 0.000 0.479 469 L N 1.397 122.736 121.223 0.194 0.000 2.599 469 L HA 0.082 4.423 4.340 0.001 0.000 0.230 469 L C 0.743 177.617 176.870 0.006 0.000 1.141 469 L CA -0.511 54.386 54.840 0.096 0.000 0.877 469 L CB -0.245 41.813 42.059 -0.001 0.000 1.009 469 L HN 0.003 nan 8.230 nan 0.000 0.447 470 A N 0.275 123.134 122.820 0.066 0.000 2.561 470 A HA 0.318 4.639 4.320 0.001 0.000 0.251 470 A C 1.500 179.113 177.584 0.049 0.000 1.062 470 A CA 0.811 52.869 52.037 0.036 0.000 0.761 470 A CB -0.382 18.642 19.000 0.040 0.000 0.986 470 A HN 0.613 nan 8.150 nan 0.000 0.510 471 G N 1.658 110.460 108.800 0.004 0.000 2.179 471 G HA2 -0.206 3.754 3.960 0.001 0.000 0.260 471 G HA3 -0.206 3.754 3.960 0.001 0.000 0.260 471 G C 0.679 175.566 174.900 -0.022 0.000 0.977 471 G CA 1.118 46.223 45.100 0.008 0.000 0.641 471 G HN 2.212 nan 8.290 nan 0.000 0.533 472 S N -0.899 114.732 115.700 -0.114 0.000 2.681 472 S HA 0.682 5.153 4.470 0.001 0.000 0.270 472 S C 0.836 175.310 174.600 -0.211 0.000 1.209 472 S CA 0.135 58.168 58.200 -0.278 0.000 0.988 472 S CB 1.642 64.334 63.200 -0.845 0.000 1.006 472 S HN 0.237 nan 8.310 nan 0.000 0.558 473 K N -0.013 120.258 120.400 -0.216 0.000 2.372 473 K HA 0.353 4.674 4.320 0.001 0.000 0.200 473 K C -0.356 176.145 176.600 -0.165 0.000 1.022 473 K CA -0.069 56.129 56.287 -0.149 0.000 1.125 473 K CB -0.118 32.318 32.500 -0.106 0.000 0.855 473 K HN 0.589 nan 8.250 nan 0.000 0.524 474 I N 0.895 121.322 120.570 -0.238 0.000 2.496 474 I HA -0.095 4.075 4.170 0.001 0.000 0.285 474 I C 0.720 176.749 176.117 -0.148 0.000 1.080 474 I CA -0.130 61.046 61.300 -0.207 0.000 1.404 474 I CB 0.634 38.458 38.000 -0.292 0.000 1.403 474 I HN 0.290 nan 8.210 nan 0.000 0.539 475 c N 4.017 122.552 118.600 -0.109 0.000 4.274 475 c HA -0.189 4.382 4.570 0.001 0.000 0.297 475 c C 1.447 175.492 174.090 -0.075 0.000 1.446 475 c CA 0.181 56.461 56.329 -0.082 0.000 2.016 475 c CB -3.315 39.149 42.510 -0.077 0.000 1.273 475 c HN 0.937 nan 8.230 nan 0.000 0.782 476 S N 0.000 115.653 115.700 -0.079 0.000 2.498 476 S HA 0.000 4.471 4.470 0.001 0.000 0.327 476 S CA 0.000 58.159 58.200 -0.068 0.000 1.107 476 S CB 0.000 63.160 63.200 -0.066 0.000 0.593 476 S HN 0.000 nan 8.310 nan 0.000 0.517