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 3e96_1_B DATA FIRST_RESID 8 DATA SEQUENCE LAKALETISG IPITPFRKSD GSIDWHHYKE TVDRIVDNGI DVIVPCGNTS DATA SEQUENCE EFYALSLEEA KEEVRRTVEY VHGRALVVAG IGYATSTAIE LGNAAKAAGA DATA SEQUENCE DAVMIHMPIH PYVTAGGVYA YFRDIIEALD FPSLVYFKDP EISDRVLVDL DATA SEQUENCE APLQNLVGVK YAINDLPRFA KVVRSIPEEH QIAWICGTAE KWAPFFWHAG DATA SEQUENCE AKGFTSGLVN LLPQKAVEML EALRNNDNDA VWRIWEDIVP FEDLRGKYNQ DATA SEQUENCE GNNVVVIKEA MEMLRQNAGV TRAPVNELSN EDKQLVTELL SSWKLLQPTK 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.823 176.870 -0.078 0.000 1.165 8 L CA 0.000 54.793 54.840 -0.078 0.000 0.813 8 L CB 0.000 41.994 42.059 -0.108 0.000 0.961 9 A N 0.452 123.222 122.820 -0.083 0.000 1.940 9 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 9 A C 1.984 179.529 177.584 -0.064 0.000 1.176 9 A CA 1.943 53.926 52.037 -0.089 0.000 0.631 9 A CB -0.390 18.551 19.000 -0.098 0.000 0.814 9 A HN 0.357 nan 8.150 nan 0.000 0.446 10 K N -0.188 120.183 120.400 -0.049 0.000 2.057 10 K HA 0.001 4.321 4.320 -0.000 0.000 0.206 10 K C 2.189 178.775 176.600 -0.024 0.000 1.050 10 K CA 1.287 57.556 56.287 -0.030 0.000 0.935 10 K CB -0.826 31.660 32.500 -0.023 0.000 0.715 10 K HN 0.453 nan 8.250 nan 0.000 0.439 11 A N 1.098 123.899 122.820 -0.032 0.000 2.070 11 A HA -0.061 4.259 4.320 -0.000 0.000 0.220 11 A C 2.094 179.658 177.584 -0.032 0.000 1.159 11 A CA 0.977 52.996 52.037 -0.029 0.000 0.656 11 A CB -0.482 18.497 19.000 -0.036 0.000 0.800 11 A HN 0.186 nan 8.150 nan 0.000 0.453 12 L N -0.444 120.755 121.223 -0.040 0.000 2.554 12 L HA 0.029 4.369 4.340 -0.000 0.000 0.226 12 L C 0.379 177.238 176.870 -0.019 0.000 1.137 12 L CA 0.143 54.959 54.840 -0.039 0.000 0.863 12 L CB -0.096 41.929 42.059 -0.057 0.000 0.985 12 L HN 0.357 nan 8.230 nan 0.000 0.451 13 E N 0.683 120.880 120.200 -0.005 0.000 1.979 13 E HA 0.129 4.479 4.350 -0.000 0.000 0.285 13 E C 0.155 176.791 176.600 0.059 0.000 1.188 13 E CA -0.049 56.368 56.400 0.028 0.000 1.214 13 E CB 0.333 30.044 29.700 0.018 0.000 1.210 13 E HN 0.088 nan 8.360 nan 0.000 0.477 14 T N 0.215 114.782 114.554 0.022 0.000 2.663 14 T HA 0.321 4.671 4.350 -0.000 0.000 0.302 14 T C -1.201 173.380 174.700 -0.199 0.000 1.523 14 T CA -0.643 61.437 62.100 -0.033 0.000 1.011 14 T CB 0.440 69.282 68.868 -0.042 0.000 1.841 14 T HN 0.183 nan 8.240 nan 0.000 0.462 15 I N 2.434 122.815 120.570 -0.316 0.000 2.371 15 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 15 I C 0.009 175.992 176.117 -0.224 0.000 1.028 15 I CA -0.163 60.846 61.300 -0.485 0.000 1.345 15 I CB 1.594 39.319 38.000 -0.459 0.000 1.407 15 I HN 0.354 nan 8.210 nan 0.000 0.501 16 S N 4.814 120.418 115.700 -0.161 0.000 2.423 16 S HA 0.383 4.853 4.470 -0.000 0.000 0.317 16 S C 0.364 174.951 174.600 -0.021 0.000 1.065 16 S CA -0.657 57.509 58.200 -0.058 0.000 1.111 16 S CB 1.010 64.203 63.200 -0.012 0.000 0.968 16 S HN 0.803 nan 8.310 nan 0.000 0.474 17 G N 3.117 111.904 108.800 -0.021 0.000 2.370 17 G HA2 0.469 4.429 3.960 -0.000 0.000 0.272 17 G HA3 0.469 4.429 3.960 -0.000 0.000 0.272 17 G C -0.283 174.636 174.900 0.031 0.000 1.208 17 G CA -0.421 44.684 45.100 0.009 0.000 0.856 17 G HN 0.611 nan 8.290 nan 0.000 0.500 18 I N 4.755 125.360 120.570 0.058 0.000 2.330 18 I HA 0.282 4.452 4.170 -0.000 0.000 0.286 18 I C -2.098 174.067 176.117 0.081 0.000 1.025 18 I CA -3.281 58.061 61.300 0.070 0.000 1.197 18 I CB 1.151 39.199 38.000 0.079 0.000 1.358 18 I HN 0.288 nan 8.210 nan 0.000 0.467 19 P HA 0.302 nan 4.420 nan 0.000 0.278 19 P C -0.046 177.338 177.300 0.140 0.000 1.238 19 P CA -0.315 62.843 63.100 0.097 0.000 0.794 19 P CB 1.399 33.155 31.700 0.093 0.000 0.955 20 I N -0.826 119.807 120.570 0.104 0.000 2.945 20 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 20 I C -0.099 176.066 176.117 0.079 0.000 1.093 20 I CA -0.258 61.082 61.300 0.066 0.000 1.336 20 I CB 0.172 38.187 38.000 0.025 0.000 1.435 20 I HN 0.119 nan 8.210 nan 0.000 0.593 21 T N 4.208 118.673 114.554 -0.149 0.000 2.874 21 T HA 0.384 4.734 4.350 -0.000 0.000 0.321 21 T C -2.485 171.744 174.700 -0.786 0.000 1.075 21 T CA -1.066 60.788 62.100 -0.411 0.000 0.966 21 T CB 0.871 69.379 68.868 -0.600 0.000 1.001 21 T HN 0.458 nan 8.240 nan 0.000 0.476 22 P HA 0.242 nan 4.420 nan 0.000 0.267 22 P C -0.911 176.143 177.300 -0.410 0.000 1.209 22 P CA -0.140 62.792 63.100 -0.280 0.000 0.763 22 P CB 0.153 31.863 31.700 0.016 0.000 0.816 23 F N 2.233 122.176 119.950 -0.012 0.000 2.495 23 F HA 0.442 4.969 4.527 -0.000 0.000 0.327 23 F C 1.195 176.986 175.800 -0.016 0.000 1.103 23 F CA -0.920 57.048 58.000 -0.053 0.000 0.949 23 F CB 1.373 40.346 39.000 -0.045 0.000 1.142 23 F HN 0.006 nan 8.300 nan 0.000 0.457 24 R N 1.946 122.543 120.500 0.163 0.000 2.491 24 R HA 0.114 4.453 4.340 -0.000 0.000 0.283 24 R C 1.332 177.681 176.300 0.082 0.000 1.072 24 R CA -0.353 55.802 56.100 0.091 0.000 1.048 24 R CB 0.898 31.219 30.300 0.035 0.000 0.983 24 R HN 0.717 nan 8.270 nan 0.000 0.450 25 K N 1.722 122.166 120.400 0.074 0.000 2.148 25 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 25 K C 1.831 178.448 176.600 0.028 0.000 1.050 25 K CA 1.767 58.085 56.287 0.053 0.000 0.942 25 K CB 0.116 32.647 32.500 0.052 0.000 0.724 25 K HN 0.665 nan 8.250 nan 0.000 0.446 26 S N 1.158 116.874 115.700 0.026 0.000 2.348 26 S HA -0.158 4.312 4.470 -0.000 0.000 0.221 26 S C 1.241 175.841 174.600 0.000 0.000 1.033 26 S CA 1.568 59.776 58.200 0.012 0.000 1.010 26 S CB -0.218 62.989 63.200 0.013 0.000 0.891 26 S HN 0.598 nan 8.310 nan 0.000 0.442 27 D N -1.561 118.837 120.400 -0.004 0.000 2.539 27 D HA 0.290 4.930 4.640 -0.000 0.000 0.232 27 D C 1.186 177.462 176.300 -0.041 0.000 1.256 27 D CA 0.353 54.341 54.000 -0.020 0.000 0.810 27 D CB -0.318 40.472 40.800 -0.016 0.000 1.090 27 D HN 0.665 nan 8.370 nan 0.000 0.519 28 G N 0.904 109.685 108.800 -0.032 0.000 2.168 28 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 28 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 28 G C 0.481 175.339 174.900 -0.070 0.000 0.977 28 G CA 0.664 45.715 45.100 -0.082 0.000 0.659 28 G HN 0.932 nan 8.290 nan 0.000 0.533 29 S N -0.439 115.255 115.700 -0.011 0.000 2.593 29 S HA 0.643 5.113 4.470 -0.000 0.000 0.269 29 S C 0.596 175.221 174.600 0.041 0.000 1.334 29 S CA -0.662 57.537 58.200 -0.003 0.000 1.015 29 S CB 1.406 64.596 63.200 -0.017 0.000 0.912 29 S HN 0.554 nan 8.310 nan 0.000 0.541 30 I N 1.817 122.343 120.570 -0.074 0.000 2.496 30 I HA 0.109 4.279 4.170 -0.000 0.000 0.285 30 I C 0.412 176.222 176.117 -0.511 0.000 1.080 30 I CA 0.002 61.083 61.300 -0.366 0.000 1.404 30 I CB 0.395 37.852 38.000 -0.906 0.000 1.403 30 I HN 0.671 nan 8.210 nan 0.000 0.539 31 D N 6.389 126.555 120.400 -0.390 0.000 2.467 31 D HA 0.090 4.730 4.640 -0.000 0.000 0.220 31 D C 0.482 176.688 176.300 -0.156 0.000 1.103 31 D CA -0.375 53.462 54.000 -0.271 0.000 0.886 31 D CB 0.551 41.152 40.800 -0.332 0.000 1.025 31 D HN 0.439 nan 8.370 nan 0.000 0.514 32 W N 1.489 122.858 121.300 0.115 0.000 2.425 32 W HA -0.131 4.529 4.660 -0.000 0.000 0.277 32 W C 2.129 178.776 176.519 0.213 0.000 1.231 32 W CA 0.097 57.581 57.345 0.232 0.000 1.248 32 W CB -0.101 29.516 29.460 0.261 0.000 1.117 32 W HN 0.602 nan 8.180 nan 0.000 0.568 33 H N -0.921 118.282 119.070 0.222 0.000 2.357 33 H HA -0.147 4.409 4.556 -0.000 0.000 0.301 33 H C 1.900 177.319 175.328 0.151 0.000 1.082 33 H CA 2.367 58.482 56.048 0.111 0.000 1.342 33 H CB -0.565 29.228 29.762 0.053 0.000 1.389 33 H HN 0.246 nan 8.280 nan 0.000 0.511 34 H N -2.034 117.044 119.070 0.014 0.000 2.423 34 H HA -0.145 4.411 4.556 -0.000 0.000 0.297 34 H C 1.662 176.963 175.328 -0.045 0.000 1.075 34 H CA 0.810 56.812 56.048 -0.075 0.000 1.342 34 H CB 0.031 29.787 29.762 -0.011 0.000 1.395 34 H HN 0.366 nan 8.280 nan 0.000 0.530 35 Y N 2.213 122.561 120.300 0.079 0.000 2.181 35 Y HA -0.224 4.326 4.550 -0.000 0.000 0.288 35 Y C 2.533 178.437 175.900 0.007 0.000 1.146 35 Y CA 1.592 59.751 58.100 0.099 0.000 1.164 35 Y CB -0.081 38.578 38.460 0.332 0.000 0.982 35 Y HN -0.040 nan 8.280 nan 0.000 0.515 36 K N 0.325 120.598 120.400 -0.212 0.000 2.063 36 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 36 K C 1.903 178.258 176.600 -0.407 0.000 1.048 36 K CA 2.034 57.938 56.287 -0.638 0.000 0.928 36 K CB -0.215 31.676 32.500 -1.016 0.000 0.713 36 K HN 0.453 nan 8.250 nan 0.000 0.442 37 E N -0.396 119.606 120.200 -0.330 0.000 2.110 37 E HA -0.144 4.205 4.350 -0.000 0.000 0.193 37 E C 1.888 178.361 176.600 -0.211 0.000 0.988 37 E CA 1.764 58.009 56.400 -0.258 0.000 0.804 37 E CB 0.013 29.564 29.700 -0.249 0.000 0.745 37 E HN 0.382 nan 8.360 nan 0.000 0.458 38 T N 0.552 114.973 114.554 -0.221 0.000 2.737 38 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 38 T C 2.106 176.665 174.700 -0.235 0.000 1.038 38 T CA 0.950 62.930 62.100 -0.200 0.000 1.144 38 T CB -0.204 68.555 68.868 -0.183 0.000 0.866 38 T HN -0.027 nan 8.240 nan 0.000 0.434 39 V N 2.271 121.975 119.914 -0.350 0.000 2.287 39 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 39 V C 2.393 178.380 176.094 -0.179 0.000 1.053 39 V CA 1.821 63.952 62.300 -0.282 0.000 1.027 39 V CB -0.597 31.054 31.823 -0.288 0.000 0.646 39 V HN 0.430 nan 8.190 nan 0.000 0.447 40 D N -0.358 119.936 120.400 -0.177 0.000 2.097 40 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 40 D C 2.286 178.523 176.300 -0.105 0.000 0.989 40 D CA 1.457 55.381 54.000 -0.127 0.000 0.827 40 D CB -0.337 40.391 40.800 -0.119 0.000 0.966 40 D HN 0.342 nan 8.370 nan 0.000 0.456 41 R N 0.442 120.874 120.500 -0.113 0.000 2.105 41 R HA -0.113 4.227 4.340 -0.000 0.000 0.239 41 R C 2.381 178.632 176.300 -0.082 0.000 1.135 41 R CA 0.929 56.974 56.100 -0.092 0.000 0.967 41 R CB -0.219 30.024 30.300 -0.093 0.000 0.861 41 R HN 0.180 nan 8.270 nan 0.000 0.442 42 I N 0.269 120.786 120.570 -0.089 0.000 2.110 42 I HA -0.234 3.936 4.170 -0.000 0.000 0.236 42 I C 2.342 178.418 176.117 -0.069 0.000 1.068 42 I CA 1.344 62.601 61.300 -0.073 0.000 1.333 42 I CB -0.299 37.658 38.000 -0.072 0.000 1.054 42 I HN 0.143 nan 8.210 nan 0.000 0.402 43 V N -2.173 117.694 119.914 -0.077 0.000 2.809 43 V HA -0.129 3.991 4.120 -0.000 0.000 0.256 43 V C 1.398 177.456 176.094 -0.059 0.000 1.080 43 V CA 1.640 63.898 62.300 -0.070 0.000 1.102 43 V CB -0.690 31.082 31.823 -0.086 0.000 0.705 43 V HN 0.321 nan 8.190 nan 0.000 0.475 44 D N 0.981 121.346 120.400 -0.058 0.000 2.340 44 D HA 0.064 4.704 4.640 -0.000 0.000 0.220 44 D C 0.476 176.751 176.300 -0.042 0.000 1.039 44 D CA 0.561 54.535 54.000 -0.043 0.000 0.866 44 D CB -0.076 40.700 40.800 -0.040 0.000 0.913 44 D HN 0.652 nan 8.370 nan 0.000 0.523 45 N N -0.834 117.836 118.700 -0.049 0.000 2.480 45 N HA 0.315 5.054 4.740 -0.000 0.000 0.281 45 N C 0.772 176.254 175.510 -0.047 0.000 1.381 45 N CA 0.012 53.033 53.050 -0.049 0.000 0.903 45 N CB 1.565 40.017 38.487 -0.057 0.000 1.274 45 N HN 0.009 nan 8.380 nan 0.000 0.505 46 G N 0.044 108.819 108.800 -0.043 0.000 2.194 46 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.236 46 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.236 46 G C -0.169 174.703 174.900 -0.048 0.000 0.987 46 G CA -0.448 44.627 45.100 -0.042 0.000 0.635 46 G HN 0.197 nan 8.290 nan 0.000 0.520 47 I N 2.120 122.659 120.570 -0.052 0.000 2.325 47 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 47 I C 0.033 176.118 176.117 -0.053 0.000 1.019 47 I CA -0.586 60.679 61.300 -0.059 0.000 1.302 47 I CB 1.264 39.229 38.000 -0.057 0.000 1.401 47 I HN -0.026 nan 8.210 nan 0.000 0.485 48 D N 4.845 125.213 120.400 -0.053 0.000 2.398 48 D HA 0.141 4.781 4.640 -0.000 0.000 0.210 48 D C 0.045 176.320 176.300 -0.041 0.000 1.094 48 D CA 0.477 54.452 54.000 -0.043 0.000 0.839 48 D CB 1.370 42.148 40.800 -0.036 0.000 0.963 48 D HN 0.166 nan 8.370 nan 0.000 0.506 49 V N 1.817 121.704 119.914 -0.046 0.000 2.623 49 V HA 0.404 4.524 4.120 -0.000 0.000 0.304 49 V C -0.543 175.533 176.094 -0.030 0.000 1.054 49 V CA -0.869 61.408 62.300 -0.038 0.000 0.882 49 V CB 2.954 34.751 31.823 -0.043 0.000 1.002 49 V HN -0.055 nan 8.190 nan 0.000 0.424 50 I N 4.601 125.161 120.570 -0.015 0.000 2.569 50 I HA 0.652 4.822 4.170 -0.000 0.000 0.296 50 I C -0.982 175.147 176.117 0.019 0.000 1.028 50 I CA -0.725 60.575 61.300 0.000 0.000 1.082 50 I CB 2.210 40.208 38.000 -0.003 0.000 1.264 50 I HN 0.398 nan 8.210 nan 0.000 0.429 51 V N 8.645 128.578 119.914 0.032 0.000 2.266 51 V HA 0.334 4.454 4.120 -0.000 0.000 0.266 51 V C -2.185 173.947 176.094 0.063 0.000 1.036 51 V CA -1.400 60.917 62.300 0.029 0.000 0.828 51 V CB 0.468 32.292 31.823 0.001 0.000 1.081 51 V HN 0.596 nan 8.190 nan 0.000 0.449 52 P HA 0.107 nan 4.420 nan 0.000 0.269 52 P C 0.455 177.811 177.300 0.094 0.000 1.215 52 P CA 0.219 63.418 63.100 0.166 0.000 0.780 52 P CB 0.901 32.726 31.700 0.208 0.000 0.898 53 C N 0.340 119.720 119.300 0.133 0.000 4.397 53 C HA -0.100 4.360 4.460 -0.000 0.000 0.291 53 C C 1.342 176.328 174.990 -0.007 0.000 1.408 53 C CA 0.859 59.948 59.018 0.119 0.000 1.971 53 C CB -2.350 25.424 27.740 0.055 0.000 1.258 53 C HN 0.880 nan 8.230 nan 0.000 0.795 54 G N -0.233 108.600 108.800 0.055 0.000 2.557 54 G HA2 0.412 4.372 3.960 -0.000 0.000 0.292 54 G HA3 0.412 4.372 3.960 -0.000 0.000 0.292 54 G C 0.509 175.480 174.900 0.119 0.000 1.237 54 G CA 0.167 45.291 45.100 0.041 0.000 0.978 54 G HN 0.561 nan 8.290 nan 0.000 0.498 55 N N -1.342 117.427 118.700 0.115 0.000 2.331 55 N HA -0.080 4.660 4.740 -0.000 0.000 0.180 55 N C 2.147 177.718 175.510 0.102 0.000 1.019 55 N CA 1.171 54.276 53.050 0.091 0.000 0.881 55 N CB 0.163 38.681 38.487 0.052 0.000 0.972 55 N HN 0.425 nan 8.380 nan 0.000 0.435 56 T N -0.662 113.949 114.554 0.094 0.000 2.962 56 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 56 T C 1.655 176.419 174.700 0.107 0.000 1.088 56 T CA 0.785 62.946 62.100 0.102 0.000 1.127 56 T CB -0.038 68.892 68.868 0.103 0.000 0.883 56 T HN 0.139 nan 8.240 nan 0.000 0.493 57 S N 0.831 116.601 115.700 0.117 0.000 2.603 57 S HA 0.075 4.545 4.470 -0.000 0.000 0.220 57 S C 0.516 175.200 174.600 0.140 0.000 0.967 57 S CA -0.049 58.222 58.200 0.119 0.000 0.920 57 S CB -0.233 63.056 63.200 0.150 0.000 0.773 57 S HN 0.584 nan 8.310 nan 0.000 0.529 58 E N -0.203 120.096 120.200 0.165 0.000 2.320 58 E HA -0.246 4.104 4.350 -0.000 0.000 0.234 58 E C 0.325 177.040 176.600 0.191 0.000 1.183 58 E CA 0.204 56.726 56.400 0.204 0.000 0.713 58 E CB -1.881 28.004 29.700 0.308 0.000 1.226 58 E HN 0.537 nan 8.360 nan 0.000 0.382 59 F N 0.293 120.205 119.950 -0.063 0.000 2.087 59 F HA -0.301 4.226 4.527 -0.000 0.000 0.299 59 F C 1.685 177.366 175.800 -0.199 0.000 1.100 59 F CA 2.190 60.071 58.000 -0.199 0.000 1.226 59 F CB -0.289 38.422 39.000 -0.482 0.000 0.983 59 F HN 0.257 nan 8.300 nan 0.000 0.479 60 Y N -0.034 120.152 120.300 -0.190 0.000 2.574 60 Y HA 0.105 4.655 4.550 -0.000 0.000 0.294 60 Y C 2.292 178.110 175.900 -0.137 0.000 1.142 60 Y CA 0.613 58.562 58.100 -0.251 0.000 1.314 60 Y CB -1.113 37.270 38.460 -0.128 0.000 0.991 60 Y HN 0.205 nan 8.280 nan 0.000 0.555 61 A N -0.563 122.276 122.820 0.032 0.000 2.275 61 A HA 0.273 4.593 4.320 -0.000 0.000 0.212 61 A C 0.513 178.062 177.584 -0.059 0.000 1.201 61 A CA -0.057 51.971 52.037 -0.015 0.000 0.843 61 A CB -0.388 18.608 19.000 -0.007 0.000 0.873 61 A HN 0.233 nan 8.150 nan 0.000 0.492 62 L N 0.949 122.144 121.223 -0.047 0.000 2.334 62 L HA 0.389 4.729 4.340 -0.000 0.000 0.275 62 L C 0.831 177.658 176.870 -0.071 0.000 1.036 62 L CA -0.696 54.131 54.840 -0.022 0.000 0.807 62 L CB 1.741 43.828 42.059 0.047 0.000 1.231 62 L HN 0.308 nan 8.230 nan 0.000 0.438 63 S N 1.446 117.122 115.700 -0.039 0.000 2.624 63 S HA 0.283 4.753 4.470 -0.000 0.000 0.263 63 S C 1.126 175.707 174.600 -0.032 0.000 1.287 63 S CA -0.734 57.432 58.200 -0.056 0.000 0.990 63 S CB 0.837 64.017 63.200 -0.034 0.000 0.950 63 S HN 0.588 nan 8.310 nan 0.000 0.561 64 L N 0.063 121.255 121.223 -0.052 0.000 2.079 64 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 64 L C 2.916 179.816 176.870 0.050 0.000 1.081 64 L CA 1.891 56.733 54.840 0.003 0.000 0.752 64 L CB -0.679 41.363 42.059 -0.030 0.000 0.896 64 L HN 0.809 nan 8.230 nan 0.000 0.433 65 E N 0.683 120.903 120.200 0.032 0.000 2.106 65 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 65 E C 1.958 178.612 176.600 0.089 0.000 0.984 65 E CA 1.332 57.761 56.400 0.050 0.000 0.806 65 E CB 0.038 29.759 29.700 0.035 0.000 0.750 65 E HN 0.408 nan 8.360 nan 0.000 0.458 66 E N -0.292 119.972 120.200 0.107 0.000 2.106 66 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 66 E C 1.973 178.694 176.600 0.202 0.000 0.984 66 E CA 0.817 57.326 56.400 0.181 0.000 0.806 66 E CB -0.148 29.644 29.700 0.152 0.000 0.750 66 E HN 0.369 nan 8.360 nan 0.000 0.458 67 A N 1.781 124.701 122.820 0.167 0.000 1.877 67 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 67 A C 1.955 179.648 177.584 0.182 0.000 1.186 67 A CA 1.444 53.617 52.037 0.227 0.000 0.620 67 A CB -0.254 18.934 19.000 0.312 0.000 0.822 67 A HN 0.038 nan 8.150 nan 0.000 0.443 68 K N -0.695 119.785 120.400 0.133 0.000 2.026 68 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 68 K C 2.124 178.741 176.600 0.029 0.000 1.048 68 K CA 1.584 57.917 56.287 0.076 0.000 0.929 68 K CB -0.126 32.405 32.500 0.050 0.000 0.713 68 K HN 0.491 nan 8.250 nan 0.000 0.439 69 E N 1.520 121.738 120.200 0.029 0.000 2.110 69 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 69 E C 1.829 178.326 176.600 -0.171 0.000 0.988 69 E CA 1.494 57.844 56.400 -0.084 0.000 0.804 69 E CB 0.022 29.706 29.700 -0.027 0.000 0.745 69 E HN 0.313 nan 8.360 nan 0.000 0.458 70 E N -0.637 119.598 120.200 0.057 0.000 2.077 70 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 70 E C 1.933 178.545 176.600 0.020 0.000 0.989 70 E CA 1.457 57.898 56.400 0.068 0.000 0.800 70 E CB 0.043 29.841 29.700 0.164 0.000 0.746 70 E HN 0.204 nan 8.360 nan 0.000 0.452 71 V N 1.174 121.113 119.914 0.041 0.000 2.343 71 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 71 V C 2.457 178.539 176.094 -0.021 0.000 1.051 71 V CA 2.105 64.430 62.300 0.042 0.000 1.036 71 V CB -0.560 31.289 31.823 0.043 0.000 0.654 71 V HN 0.272 nan 8.190 nan 0.000 0.451 72 R N -0.279 120.169 120.500 -0.087 0.000 2.073 72 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 72 R C 2.573 178.734 176.300 -0.232 0.000 1.134 72 R CA 1.288 57.301 56.100 -0.145 0.000 0.952 72 R CB -0.399 29.799 30.300 -0.171 0.000 0.850 72 R HN 0.413 nan 8.270 nan 0.000 0.433 73 R N 0.065 120.358 120.500 -0.344 0.000 2.091 73 R HA -0.082 4.258 4.340 -0.000 0.000 0.238 73 R C 2.226 178.342 176.300 -0.307 0.000 1.136 73 R CA 1.702 57.486 56.100 -0.528 0.000 0.959 73 R CB -0.806 29.129 30.300 -0.609 0.000 0.856 73 R HN 0.296 nan 8.270 nan 0.000 0.437 74 T N 1.207 115.796 114.554 0.059 0.000 2.708 74 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 74 T C 2.112 176.830 174.700 0.030 0.000 1.037 74 T CA 1.421 63.631 62.100 0.182 0.000 1.146 74 T CB -0.276 68.732 68.868 0.233 0.000 0.865 74 T HN -0.013 nan 8.240 nan 0.000 0.435 75 V N 1.456 121.358 119.914 -0.020 0.000 2.332 75 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 75 V C 2.551 178.622 176.094 -0.039 0.000 1.055 75 V CA 1.906 64.192 62.300 -0.022 0.000 1.038 75 V CB -0.567 31.241 31.823 -0.025 0.000 0.651 75 V HN 0.558 nan 8.190 nan 0.000 0.450 76 E N -0.625 119.496 120.200 -0.131 0.000 2.028 76 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 76 E C 2.247 178.858 176.600 0.018 0.000 0.988 76 E CA 1.567 57.891 56.400 -0.126 0.000 0.799 76 E CB -0.153 29.351 29.700 -0.326 0.000 0.755 76 E HN 0.679 nan 8.360 nan 0.000 0.447 77 Y N -0.069 120.257 120.300 0.042 0.000 2.352 77 Y HA -0.098 4.452 4.550 -0.000 0.000 0.292 77 Y C 2.251 178.031 175.900 -0.200 0.000 1.136 77 Y CA 0.381 58.483 58.100 0.004 0.000 1.227 77 Y CB -0.504 37.958 38.460 0.002 0.000 0.991 77 Y HN -0.016 nan 8.280 nan 0.000 0.545 78 V N -0.400 119.465 119.914 -0.080 0.000 2.535 78 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 78 V C 0.262 176.028 176.094 -0.548 0.000 1.045 78 V CA 1.271 63.404 62.300 -0.279 0.000 1.058 78 V CB -1.231 30.529 31.823 -0.104 0.000 0.689 78 V HN 0.761 nan 8.190 nan 0.000 0.461 79 H N 0.069 119.163 119.070 0.040 0.000 2.394 79 H HA -0.077 4.479 4.556 -0.000 0.000 0.322 79 H C 1.027 176.367 175.328 0.019 0.000 1.012 79 H CA 0.690 56.754 56.048 0.025 0.000 1.084 79 H CB -2.017 27.764 29.762 0.032 0.000 1.597 79 H HN 0.744 nan 8.280 nan 0.000 0.375 80 G N 0.281 109.132 108.800 0.086 0.000 2.234 80 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.260 80 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.260 80 G C 1.412 176.335 174.900 0.038 0.000 0.987 80 G CA 0.412 45.554 45.100 0.070 0.000 0.625 80 G HN 0.715 nan 8.290 nan 0.000 0.532 81 R N 0.535 121.032 120.500 -0.006 0.000 2.285 81 R HA 0.446 4.786 4.340 -0.000 0.000 0.213 81 R C 1.136 177.416 176.300 -0.033 0.000 1.068 81 R CA 1.206 57.292 56.100 -0.024 0.000 1.004 81 R CB -0.016 30.235 30.300 -0.082 0.000 0.873 81 R HN 0.998 nan 8.270 nan 0.000 0.467 82 A N -0.113 122.686 122.820 -0.035 0.000 2.601 82 A HA 0.417 4.737 4.320 -0.000 0.000 0.291 82 A C -1.286 176.286 177.584 -0.020 0.000 1.075 82 A CA -0.837 51.182 52.037 -0.030 0.000 0.671 82 A CB 0.803 19.778 19.000 -0.041 0.000 1.277 82 A HN 0.039 nan 8.150 nan 0.000 0.417 83 L N 0.817 122.028 121.223 -0.020 0.000 2.397 83 L HA 0.417 4.757 4.340 -0.000 0.000 0.271 83 L C -0.530 176.335 176.870 -0.007 0.000 1.148 83 L CA -0.496 54.334 54.840 -0.016 0.000 0.825 83 L CB 1.170 43.212 42.059 -0.028 0.000 1.117 83 L HN 0.430 nan 8.230 nan 0.000 0.456 84 V N 4.448 124.367 119.914 0.009 0.000 2.357 84 V HA 0.282 4.402 4.120 -0.000 0.000 0.284 84 V C -0.037 176.078 176.094 0.035 0.000 1.018 84 V CA -0.558 61.758 62.300 0.026 0.000 0.841 84 V CB 1.770 33.618 31.823 0.041 0.000 0.991 84 V HN 0.398 nan 8.190 nan 0.000 0.437 85 V N 4.607 124.534 119.914 0.022 0.000 2.347 85 V HA 0.659 4.779 4.120 -0.000 0.000 0.280 85 V C 0.535 176.638 176.094 0.016 0.000 1.021 85 V CA -0.583 61.726 62.300 0.014 0.000 0.847 85 V CB 1.594 33.406 31.823 -0.018 0.000 0.990 85 V HN 0.927 nan 8.190 nan 0.000 0.444 86 A N 4.061 126.903 122.820 0.037 0.000 2.276 86 A HA 0.700 5.019 4.320 -0.000 0.000 0.300 86 A C 0.746 178.295 177.584 -0.060 0.000 1.235 86 A CA 0.025 52.072 52.037 0.016 0.000 0.867 86 A CB 0.441 19.472 19.000 0.052 0.000 1.137 86 A HN 1.026 nan 8.150 nan 0.000 0.527 87 G N 1.794 110.506 108.800 -0.146 0.000 2.406 87 G HA2 0.505 4.465 3.960 -0.000 0.000 0.251 87 G HA3 0.505 4.465 3.960 -0.000 0.000 0.251 87 G C 0.020 174.705 174.900 -0.359 0.000 1.271 87 G CA -0.051 44.841 45.100 -0.348 0.000 0.859 87 G HN 1.234 nan 8.290 nan 0.000 0.540 88 I N -0.156 120.255 120.570 -0.265 0.000 3.074 88 I HA 1.025 5.195 4.170 -0.000 0.000 0.310 88 I C 0.241 176.399 176.117 0.068 0.000 1.153 88 I CA -1.126 60.139 61.300 -0.058 0.000 0.993 88 I CB 2.364 40.406 38.000 0.070 0.000 1.237 88 I HN 0.840 nan 8.210 nan 0.000 0.443 89 G N 0.517 109.473 108.800 0.259 0.000 2.435 89 G HA2 0.561 4.521 3.960 -0.000 0.000 0.296 89 G HA3 0.561 4.521 3.960 -0.000 0.000 0.296 89 G C -1.442 173.681 174.900 0.371 0.000 1.240 89 G CA -0.200 45.074 45.100 0.291 0.000 0.872 89 G HN 0.970 nan 8.290 nan 0.000 0.480 90 Y N -1.768 118.805 120.300 0.455 0.000 2.930 90 Y HA 0.094 4.644 4.550 -0.000 0.000 0.463 90 Y C 1.391 177.500 175.900 0.348 0.000 1.222 90 Y CA 0.121 58.397 58.100 0.294 0.000 2.401 90 Y CB -1.647 36.940 38.460 0.212 0.000 1.294 90 Y HN 1.968 nan 8.280 nan 0.000 0.636 91 A N 0.568 123.653 122.820 0.441 0.000 2.520 91 A HA 0.349 4.669 4.320 -0.000 0.000 0.235 91 A C 1.480 179.271 177.584 0.346 0.000 1.065 91 A CA 0.578 52.844 52.037 0.382 0.000 0.764 91 A CB -0.252 18.883 19.000 0.224 0.000 1.002 91 A HN 1.255 nan 8.150 nan 0.000 0.502 92 T N -0.068 114.664 114.554 0.295 0.000 2.665 92 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 92 T C 1.913 176.657 174.700 0.073 0.000 1.035 92 T CA 2.397 64.551 62.100 0.089 0.000 1.151 92 T CB -1.107 67.765 68.868 0.007 0.000 0.862 92 T HN 1.360 nan 8.240 nan 0.000 0.438 93 S N 1.210 116.964 115.700 0.090 0.000 2.368 93 S HA -0.150 4.320 4.470 -0.000 0.000 0.225 93 S C 2.199 176.850 174.600 0.084 0.000 1.030 93 S CA 1.618 59.858 58.200 0.067 0.000 0.999 93 S CB -1.525 61.709 63.200 0.058 0.000 0.844 93 S HN 0.621 nan 8.310 nan 0.000 0.459 94 T N 2.658 117.288 114.554 0.128 0.000 2.777 94 T HA 0.128 4.478 4.350 -0.000 0.000 0.266 94 T C 2.250 177.069 174.700 0.199 0.000 1.040 94 T CA 1.329 63.523 62.100 0.156 0.000 1.141 94 T CB -0.834 68.152 68.868 0.197 0.000 0.868 94 T HN 0.632 nan 8.240 nan 0.000 0.444 95 A N 1.191 124.142 122.820 0.219 0.000 1.902 95 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 95 A C 2.275 179.924 177.584 0.108 0.000 1.181 95 A CA 1.202 53.355 52.037 0.194 0.000 0.623 95 A CB -0.791 18.298 19.000 0.150 0.000 0.818 95 A HN 0.529 nan 8.150 nan 0.000 0.443 96 I N -0.687 119.921 120.570 0.065 0.000 2.286 96 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 96 I C 2.540 178.676 176.117 0.031 0.000 1.115 96 I CA 1.684 63.003 61.300 0.031 0.000 1.392 96 I CB -0.293 37.715 38.000 0.013 0.000 1.065 96 I HN 0.546 nan 8.210 nan 0.000 0.418 97 E N 1.470 121.701 120.200 0.051 0.000 2.051 97 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 97 E C 2.376 179.004 176.600 0.047 0.000 0.991 97 E CA 1.188 57.613 56.400 0.041 0.000 0.799 97 E CB -0.011 29.719 29.700 0.050 0.000 0.748 97 E HN 0.441 nan 8.360 nan 0.000 0.449 98 L N 0.124 121.403 121.223 0.093 0.000 2.083 98 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 98 L C 2.610 179.512 176.870 0.054 0.000 1.083 98 L CA 1.157 56.062 54.840 0.108 0.000 0.752 98 L CB -0.552 41.627 42.059 0.201 0.000 0.899 98 L HN 0.307 nan 8.230 nan 0.000 0.433 99 G N -0.277 108.547 108.800 0.040 0.000 2.421 99 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 99 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 99 G C 1.323 176.163 174.900 -0.100 0.000 1.171 99 G CA 0.999 46.097 45.100 -0.003 0.000 0.775 99 G HN 0.426 nan 8.290 nan 0.000 0.543 100 N N 0.615 119.263 118.700 -0.085 0.000 2.223 100 N HA 0.012 4.752 4.740 -0.000 0.000 0.185 100 N C 2.481 177.916 175.510 -0.126 0.000 1.016 100 N CA 0.700 53.672 53.050 -0.131 0.000 0.863 100 N CB -0.090 38.352 38.487 -0.076 0.000 0.983 100 N HN 0.360 nan 8.380 nan 0.000 0.429 101 A N 1.058 123.836 122.820 -0.070 0.000 1.898 101 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 101 A C 2.304 179.845 177.584 -0.071 0.000 1.181 101 A CA 1.532 53.537 52.037 -0.053 0.000 0.620 101 A CB -0.784 18.211 19.000 -0.009 0.000 0.819 101 A HN 0.325 nan 8.150 nan 0.000 0.442 102 A N -0.052 122.727 122.820 -0.070 0.000 1.902 102 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 102 A C 2.096 179.594 177.584 -0.143 0.000 1.181 102 A CA 1.866 53.867 52.037 -0.060 0.000 0.623 102 A CB -0.426 18.569 19.000 -0.007 0.000 0.818 102 A HN 0.550 nan 8.150 nan 0.000 0.443 103 K N -0.245 119.953 120.400 -0.337 0.000 2.002 103 K HA -0.076 4.244 4.320 -0.000 0.000 0.209 103 K C 2.296 178.745 176.600 -0.253 0.000 1.048 103 K CA 1.283 57.234 56.287 -0.559 0.000 0.930 103 K CB -0.366 31.637 32.500 -0.828 0.000 0.714 103 K HN 0.424 nan 8.250 nan 0.000 0.438 104 A N 1.321 124.032 122.820 -0.182 0.000 1.972 104 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 104 A C 2.298 179.838 177.584 -0.073 0.000 1.169 104 A CA 1.772 53.745 52.037 -0.106 0.000 0.635 104 A CB -0.630 18.319 19.000 -0.086 0.000 0.810 104 A HN 0.350 nan 8.150 nan 0.000 0.446 105 A N -1.960 120.818 122.820 -0.070 0.000 2.066 105 A HA 0.358 4.678 4.320 -0.000 0.000 0.218 105 A C 1.838 179.404 177.584 -0.030 0.000 1.157 105 A CA 1.602 53.609 52.037 -0.050 0.000 0.670 105 A CB -0.673 18.299 19.000 -0.047 0.000 0.804 105 A HN 1.860 nan 8.150 nan 0.000 0.453 106 G N -2.708 106.082 108.800 -0.016 0.000 2.159 106 G HA2 0.234 4.194 3.960 -0.000 0.000 0.170 106 G HA3 0.234 4.194 3.960 -0.000 0.000 0.170 106 G C 0.340 175.281 174.900 0.069 0.000 1.007 106 G CA 0.139 45.253 45.100 0.023 0.000 0.672 106 G HN 1.402 nan 8.290 nan 0.000 0.507 107 A N -0.013 122.860 122.820 0.088 0.000 2.406 107 A HA 0.559 4.879 4.320 -0.000 0.000 0.243 107 A C 1.135 178.894 177.584 0.292 0.000 1.082 107 A CA 0.832 52.962 52.037 0.154 0.000 0.786 107 A CB 0.350 19.445 19.000 0.159 0.000 1.029 107 A HN 0.178 nan 8.150 nan 0.000 0.495 108 D N -0.241 120.269 120.400 0.182 0.000 2.327 108 D HA 0.371 5.011 4.640 -0.000 0.000 0.205 108 D C 0.602 176.795 176.300 -0.177 0.000 0.989 108 D CA 1.571 55.608 54.000 0.062 0.000 0.873 108 D CB 0.456 41.248 40.800 -0.013 0.000 0.955 108 D HN 0.738 nan 8.370 nan 0.000 0.515 109 A N 0.097 122.908 122.820 -0.014 0.000 2.511 109 A HA 0.533 4.853 4.320 -0.000 0.000 0.293 109 A C -1.381 176.292 177.584 0.149 0.000 1.098 109 A CA -0.615 51.330 52.037 -0.154 0.000 0.643 109 A CB 1.078 19.945 19.000 -0.220 0.000 1.302 109 A HN -0.025 nan 8.150 nan 0.000 0.446 110 V N -2.029 117.955 119.914 0.115 0.000 2.914 110 V HA 0.885 5.005 4.120 -0.000 0.000 0.314 110 V C -0.270 175.824 176.094 -0.000 0.000 1.084 110 V CA -0.733 61.623 62.300 0.093 0.000 0.963 110 V CB 1.877 33.787 31.823 0.145 0.000 1.025 110 V HN 1.260 nan 8.190 nan 0.000 0.432 111 M N 4.212 123.778 119.600 -0.057 0.000 2.125 111 M HA 0.601 5.081 4.480 -0.000 0.000 0.321 111 M C -1.488 174.738 176.300 -0.124 0.000 0.983 111 M CA -0.620 54.618 55.300 -0.104 0.000 0.934 111 M CB 1.227 33.724 32.600 -0.172 0.000 1.542 111 M HN 0.755 nan 8.290 nan 0.000 0.424 112 I N 5.507 126.081 120.570 0.007 0.000 2.322 112 I HA 0.196 4.366 4.170 -0.000 0.000 0.292 112 I C 0.594 176.867 176.117 0.260 0.000 1.060 112 I CA -0.641 60.762 61.300 0.171 0.000 1.309 112 I CB 0.200 38.428 38.000 0.379 0.000 1.415 112 I HN 0.597 nan 8.210 nan 0.000 0.492 113 H N 5.005 124.196 119.070 0.202 0.000 2.822 113 H HA 0.065 4.621 4.556 -0.000 0.000 0.373 113 H C 0.151 175.740 175.328 0.435 0.000 1.223 113 H CA -0.062 56.115 56.048 0.216 0.000 1.436 113 H CB 0.793 30.594 29.762 0.066 0.000 1.439 113 H HN 0.446 nan 8.280 nan 0.000 0.618 114 M N 4.224 124.161 119.600 0.562 0.000 2.239 114 M HA 0.118 4.598 4.480 -0.000 0.000 0.348 114 M C -2.125 174.306 176.300 0.219 0.000 1.239 114 M CA -1.218 54.350 55.300 0.446 0.000 1.114 114 M CB 0.494 33.297 32.600 0.339 0.000 1.641 114 M HN 0.288 nan 8.290 nan 0.000 0.453 115 P HA 0.001 nan 4.420 nan 0.000 0.266 115 P C -0.067 177.228 177.300 -0.008 0.000 1.195 115 P CA 0.088 63.080 63.100 -0.180 0.000 0.768 115 P CB 0.037 31.255 31.700 -0.805 0.000 0.838 116 I N -1.262 119.306 120.570 -0.003 0.000 3.812 116 I HA 0.182 4.351 4.170 -0.000 0.000 0.320 116 I C 0.474 176.509 176.117 -0.137 0.000 1.276 116 I CA -0.795 60.424 61.300 -0.135 0.000 1.164 116 I CB -2.005 35.787 38.000 -0.346 0.000 1.009 116 I HN 0.141 nan 8.210 nan 0.000 0.431 117 H N 3.599 122.543 119.070 -0.210 0.000 3.001 117 H HA 0.133 4.689 4.556 -0.000 0.000 0.334 117 H C -1.139 174.032 175.328 -0.262 0.000 1.034 117 H CA -1.398 54.516 56.048 -0.224 0.000 1.420 117 H CB -0.136 29.510 29.762 -0.192 0.000 1.405 117 H HN 0.116 nan 8.280 nan 0.000 0.593 118 P HA -0.139 nan 4.420 nan 0.000 0.223 118 P C -0.688 176.471 177.300 -0.235 0.000 1.151 118 P CA 1.154 64.031 63.100 -0.372 0.000 0.787 118 P CB 0.427 31.751 31.700 -0.626 0.000 0.788 119 Y N 0.992 121.306 120.300 0.024 0.000 2.328 119 Y HA 0.454 5.003 4.550 -0.000 0.000 0.333 119 Y C 0.510 176.392 175.900 -0.029 0.000 0.958 119 Y CA -2.165 55.936 58.100 0.001 0.000 1.167 119 Y CB 1.386 39.850 38.460 0.007 0.000 1.151 119 Y HN -0.246 nan 8.280 nan 0.000 0.470 120 V N -0.281 119.690 119.914 0.096 0.000 2.971 120 V HA 1.005 5.125 4.120 -0.000 0.000 0.309 120 V C -0.532 175.577 176.094 0.024 0.000 1.130 120 V CA -0.863 61.437 62.300 -0.000 0.000 0.964 120 V CB 1.800 33.584 31.823 -0.065 0.000 1.029 120 V HN 0.775 nan 8.190 nan 0.000 0.427 121 T N 0.001 114.567 114.554 0.020 0.000 2.906 121 T HA 0.798 5.148 4.350 -0.000 0.000 0.295 121 T C 1.016 175.759 174.700 0.072 0.000 1.061 121 T CA -0.058 62.068 62.100 0.044 0.000 1.000 121 T CB 1.807 70.701 68.868 0.044 0.000 1.103 121 T HN 1.690 nan 8.240 nan 0.000 0.486 122 A N 1.795 124.672 122.820 0.095 0.000 1.884 122 A HA 0.082 4.402 4.320 -0.000 0.000 0.219 122 A C 2.401 180.092 177.584 0.178 0.000 1.197 122 A CA 2.438 54.564 52.037 0.148 0.000 0.637 122 A CB -1.755 17.325 19.000 0.134 0.000 0.827 122 A HN 1.295 nan 8.150 nan 0.000 0.450 123 G N -1.068 107.813 108.800 0.134 0.000 2.442 123 G HA2 0.014 3.974 3.960 -0.000 0.000 0.219 123 G HA3 0.014 3.974 3.960 -0.000 0.000 0.219 123 G C 1.498 176.519 174.900 0.201 0.000 1.141 123 G CA 1.341 46.536 45.100 0.158 0.000 0.763 123 G HN 0.794 nan 8.290 nan 0.000 0.554 124 G N 0.181 109.058 108.800 0.128 0.000 2.408 124 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.217 124 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.217 124 G C 1.740 176.691 174.900 0.085 0.000 1.150 124 G CA 1.076 46.228 45.100 0.087 0.000 0.776 124 G HN 0.318 nan 8.290 nan 0.000 0.542 125 V N 0.049 120.023 119.914 0.099 0.000 2.358 125 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 125 V C 2.263 178.502 176.094 0.242 0.000 1.047 125 V CA 1.682 64.032 62.300 0.083 0.000 1.035 125 V CB -0.709 31.206 31.823 0.153 0.000 0.658 125 V HN 0.502 nan 8.190 nan 0.000 0.452 126 Y N 1.824 122.260 120.300 0.226 0.000 2.097 126 Y HA -0.274 4.276 4.550 -0.000 0.000 0.282 126 Y C 2.395 178.413 175.900 0.197 0.000 1.152 126 Y CA 1.809 60.059 58.100 0.251 0.000 1.136 126 Y CB -0.713 37.849 38.460 0.170 0.000 0.975 126 Y HN 0.133 nan 8.280 nan 0.000 0.498 127 A N -0.320 122.518 122.820 0.030 0.000 1.902 127 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 127 A C 2.185 179.721 177.584 -0.081 0.000 1.181 127 A CA 1.715 53.706 52.037 -0.077 0.000 0.623 127 A CB -1.693 17.356 19.000 0.081 0.000 0.818 127 A HN 0.752 nan 8.150 nan 0.000 0.443 128 Y N -0.374 119.834 120.300 -0.154 0.000 2.053 128 Y HA -0.274 4.276 4.550 -0.000 0.000 0.277 128 Y C 1.988 177.782 175.900 -0.178 0.000 1.159 128 Y CA 2.242 60.210 58.100 -0.221 0.000 1.125 128 Y CB -0.607 37.615 38.460 -0.398 0.000 0.969 128 Y HN 0.276 nan 8.280 nan 0.000 0.492 129 F N 0.235 120.169 119.950 -0.028 0.000 2.113 129 F HA -0.118 4.409 4.527 -0.000 0.000 0.297 129 F C 2.780 178.452 175.800 -0.213 0.000 1.103 129 F CA 1.852 59.784 58.000 -0.113 0.000 1.248 129 F CB -0.999 38.023 39.000 0.038 0.000 0.999 129 F HN -0.009 nan 8.300 nan 0.000 0.475 130 R N 0.653 121.078 120.500 -0.126 0.000 2.083 130 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 130 R C 1.808 178.020 176.300 -0.145 0.000 1.137 130 R CA 2.171 58.132 56.100 -0.231 0.000 0.951 130 R CB -0.550 29.436 30.300 -0.525 0.000 0.851 130 R HN 0.161 nan 8.270 nan 0.000 0.434 131 D N 0.473 120.780 120.400 -0.154 0.000 2.123 131 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 131 D C 1.967 178.204 176.300 -0.105 0.000 0.992 131 D CA 1.417 55.350 54.000 -0.112 0.000 0.833 131 D CB -0.206 40.530 40.800 -0.108 0.000 0.954 131 D HN 0.359 nan 8.370 nan 0.000 0.455 132 I N 0.485 120.962 120.570 -0.155 0.000 2.202 132 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 132 I C 2.397 178.490 176.117 -0.039 0.000 1.091 132 I CA 0.661 61.892 61.300 -0.115 0.000 1.368 132 I CB -0.112 37.781 38.000 -0.178 0.000 1.058 132 I HN -0.048 nan 8.210 nan 0.000 0.410 133 I N 0.603 121.158 120.570 -0.026 0.000 2.226 133 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 133 I C 2.448 178.563 176.117 -0.002 0.000 1.100 133 I CA 1.528 62.826 61.300 -0.003 0.000 1.374 133 I CB -0.421 37.569 38.000 -0.016 0.000 1.057 133 I HN 0.257 nan 8.210 nan 0.000 0.413 134 E N 0.995 121.182 120.200 -0.021 0.000 2.106 134 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 134 E C 2.348 178.947 176.600 -0.001 0.000 0.984 134 E CA 1.258 57.651 56.400 -0.011 0.000 0.806 134 E CB -0.174 29.514 29.700 -0.019 0.000 0.750 134 E HN 0.516 nan 8.360 nan 0.000 0.458 135 A N 1.257 124.072 122.820 -0.009 0.000 1.898 135 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 135 A C 2.184 179.773 177.584 0.007 0.000 1.181 135 A CA 0.939 52.974 52.037 -0.004 0.000 0.620 135 A CB -0.475 18.517 19.000 -0.014 0.000 0.819 135 A HN 0.113 nan 8.150 nan 0.000 0.442 136 L N -1.379 119.857 121.223 0.020 0.000 2.131 136 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 136 L C 0.852 177.773 176.870 0.085 0.000 1.087 136 L CA 0.903 55.769 54.840 0.043 0.000 0.767 136 L CB -0.499 41.607 42.059 0.078 0.000 0.917 136 L HN 0.506 nan 8.230 nan 0.000 0.441 137 D N -0.576 119.874 120.400 0.084 0.000 2.697 137 D HA -0.289 4.351 4.640 -0.000 0.000 0.235 137 D C -0.657 175.759 176.300 0.193 0.000 1.167 137 D CA 0.528 54.583 54.000 0.092 0.000 0.656 137 D CB -0.861 39.976 40.800 0.062 0.000 1.025 137 D HN 0.107 nan 8.370 nan 0.000 0.419 138 F N -0.585 119.352 119.950 -0.021 0.000 2.619 138 F HA 0.543 5.070 4.527 -0.000 0.000 0.308 138 F C -2.344 173.439 175.800 -0.029 0.000 1.097 138 F CA -2.223 55.764 58.000 -0.022 0.000 0.953 138 F CB 1.502 40.492 39.000 -0.018 0.000 1.287 138 F HN -0.241 nan 8.300 nan 0.000 0.446 139 P HA 0.149 nan 4.420 nan 0.000 0.261 139 P C -1.364 175.789 177.300 -0.244 0.000 1.183 139 P CA 0.604 63.467 63.100 -0.396 0.000 0.761 139 P CB 0.530 31.916 31.700 -0.523 0.000 0.785 140 S N 2.470 118.089 115.700 -0.135 0.000 2.548 140 S HA 0.676 5.146 4.470 -0.000 0.000 0.286 140 S C -0.796 173.740 174.600 -0.106 0.000 1.098 140 S CA -0.549 57.606 58.200 -0.075 0.000 0.930 140 S CB 1.016 64.201 63.200 -0.025 0.000 1.070 140 S HN 0.111 nan 8.310 nan 0.000 0.480 141 L N 1.744 122.913 121.223 -0.091 0.000 2.323 141 L HA 0.798 5.138 4.340 -0.000 0.000 0.265 141 L C -0.594 176.208 176.870 -0.114 0.000 1.012 141 L CA -0.826 53.946 54.840 -0.113 0.000 0.820 141 L CB 1.934 43.944 42.059 -0.081 0.000 1.334 141 L HN 0.581 nan 8.230 nan 0.000 0.427 142 V N -1.395 118.417 119.914 -0.171 0.000 2.680 142 V HA 0.535 4.655 4.120 -0.000 0.000 0.309 142 V C -1.398 174.670 176.094 -0.043 0.000 1.052 142 V CA -0.806 61.345 62.300 -0.250 0.000 0.908 142 V CB 1.562 32.926 31.823 -0.765 0.000 1.001 142 V HN 0.594 nan 8.190 nan 0.000 0.431 143 Y N 4.702 124.996 120.300 -0.010 0.000 2.434 143 Y HA 0.625 5.175 4.550 -0.000 0.000 0.341 143 Y C -0.826 175.200 175.900 0.210 0.000 0.965 143 Y CA -1.147 57.007 58.100 0.091 0.000 1.205 143 Y CB 1.279 39.782 38.460 0.072 0.000 1.121 143 Y HN 0.756 nan 8.280 nan 0.000 0.507 144 F N 7.442 127.261 119.950 -0.219 0.000 2.334 144 F HA 0.320 4.847 4.527 -0.000 0.000 0.367 144 F C 0.356 175.978 175.800 -0.297 0.000 1.115 144 F CA -0.640 57.283 58.000 -0.128 0.000 1.116 144 F CB 0.577 39.518 39.000 -0.098 0.000 1.230 144 F HN 0.612 nan 8.300 nan 0.000 0.484 145 K N 1.936 122.139 120.400 -0.329 0.000 2.517 145 K HA 0.202 4.522 4.320 -0.000 0.000 0.210 145 K C -0.629 175.820 176.600 -0.252 0.000 1.166 145 K CA -0.337 55.791 56.287 -0.265 0.000 1.030 145 K CB 0.341 32.834 32.500 -0.013 0.000 0.974 145 K HN 0.281 nan 8.250 nan 0.000 0.585 146 D N 3.318 123.495 120.400 -0.372 0.000 2.396 146 D HA 0.158 4.798 4.640 -0.000 0.000 0.225 146 D C -1.424 174.735 176.300 -0.235 0.000 1.121 146 D CA -2.443 51.408 54.000 -0.248 0.000 0.853 146 D CB 1.806 42.482 40.800 -0.207 0.000 1.043 146 D HN -0.005 nan 8.370 nan 0.000 0.500 147 P HA -0.120 nan 4.420 nan 0.000 0.222 147 P C 0.664 177.956 177.300 -0.013 0.000 1.147 147 P CA 0.682 63.752 63.100 -0.049 0.000 0.790 147 P CB 0.599 32.285 31.700 -0.023 0.000 0.780 148 E N -0.560 119.622 120.200 -0.030 0.000 2.427 148 E HA 0.028 4.378 4.350 -0.000 0.000 0.196 148 E C 0.837 177.448 176.600 0.017 0.000 1.028 148 E CA 0.393 56.793 56.400 0.000 0.000 0.864 148 E CB 0.043 29.741 29.700 -0.003 0.000 0.813 148 E HN 0.329 nan 8.360 nan 0.000 0.514 149 I N 1.293 121.859 120.570 -0.007 0.000 2.321 149 I HA 0.077 4.247 4.170 -0.000 0.000 0.291 149 I C 0.719 176.959 176.117 0.205 0.000 0.998 149 I CA -0.726 60.611 61.300 0.062 0.000 1.227 149 I CB 1.189 39.175 38.000 -0.022 0.000 1.368 149 I HN -0.195 nan 8.210 nan 0.000 0.466 150 S N 4.387 120.223 115.700 0.226 0.000 2.558 150 S HA -0.022 4.448 4.470 -0.000 0.000 0.288 150 S C 1.078 175.906 174.600 0.380 0.000 1.318 150 S CA -0.174 58.176 58.200 0.249 0.000 1.056 150 S CB 0.325 63.622 63.200 0.162 0.000 0.853 150 S HN 0.500 nan 8.310 nan 0.000 0.505 151 D N 2.933 123.520 120.400 0.311 0.000 2.350 151 D HA -0.076 4.564 4.640 -0.000 0.000 0.216 151 D C 1.829 178.190 176.300 0.102 0.000 0.968 151 D CA 0.460 54.597 54.000 0.228 0.000 0.894 151 D CB -0.098 40.809 40.800 0.179 0.000 0.909 151 D HN 0.520 nan 8.370 nan 0.000 0.520 152 R N 1.008 121.578 120.500 0.117 0.000 2.159 152 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 152 R C 1.859 178.203 176.300 0.073 0.000 1.131 152 R CA 0.761 56.901 56.100 0.066 0.000 0.982 152 R CB -0.758 29.574 30.300 0.052 0.000 0.868 152 R HN 0.006 nan 8.270 nan 0.000 0.453 153 V N 0.627 120.636 119.914 0.157 0.000 2.332 153 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 153 V C 2.275 178.457 176.094 0.147 0.000 1.055 153 V CA 1.996 64.442 62.300 0.243 0.000 1.038 153 V CB -0.443 31.656 31.823 0.460 0.000 0.651 153 V HN 0.319 nan 8.190 nan 0.000 0.450 154 L N -0.697 120.494 121.223 -0.053 0.000 2.109 154 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 154 L C 2.456 179.331 176.870 0.008 0.000 1.086 154 L CA 0.889 55.668 54.840 -0.101 0.000 0.760 154 L CB -0.616 41.337 42.059 -0.176 0.000 0.910 154 L HN 0.195 nan 8.230 nan 0.000 0.437 155 V N -0.156 119.775 119.914 0.028 0.000 2.343 155 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 155 V C 1.958 178.057 176.094 0.009 0.000 1.051 155 V CA 1.866 64.186 62.300 0.034 0.000 1.036 155 V CB -0.515 31.323 31.823 0.024 0.000 0.654 155 V HN 0.438 nan 8.190 nan 0.000 0.451 156 D N -0.287 120.122 120.400 0.015 0.000 2.234 156 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 156 D C 2.029 178.433 176.300 0.172 0.000 0.962 156 D CA 0.847 54.846 54.000 -0.001 0.000 0.855 156 D CB 0.052 40.708 40.800 -0.239 0.000 0.951 156 D HN 0.357 nan 8.370 nan 0.000 0.500 157 L N 0.463 121.805 121.223 0.198 0.000 2.270 157 L HA 0.080 4.420 4.340 -0.000 0.000 0.210 157 L C 2.454 179.294 176.870 -0.051 0.000 1.104 157 L CA 0.333 55.255 54.840 0.136 0.000 0.804 157 L CB -0.239 41.866 42.059 0.076 0.000 0.937 157 L HN -0.071 nan 8.230 nan 0.000 0.450 158 A N 1.269 124.021 122.820 -0.114 0.000 1.940 158 A HA -0.200 4.120 4.320 -0.000 0.000 0.221 158 A C -0.148 177.179 177.584 -0.428 0.000 1.190 158 A CA 2.054 53.958 52.037 -0.222 0.000 0.647 158 A CB -1.859 17.055 19.000 -0.142 0.000 0.821 158 A HN 0.281 nan 8.150 nan 0.000 0.457 159 P HA -0.044 nan 4.420 nan 0.000 0.221 159 P C 0.087 177.273 177.300 -0.190 0.000 1.145 159 P CA 0.596 63.347 63.100 -0.582 0.000 0.795 159 P CB -0.209 31.277 31.700 -0.356 0.000 0.775 160 L N 0.565 121.710 121.223 -0.131 0.000 2.584 160 L HA -0.077 4.263 4.340 -0.000 0.000 0.272 160 L C 1.917 178.750 176.870 -0.062 0.000 1.195 160 L CA 0.006 54.805 54.840 -0.069 0.000 0.920 160 L CB 0.145 42.168 42.059 -0.061 0.000 1.173 160 L HN 0.029 nan 8.230 nan 0.000 0.489 161 Q N 2.519 122.298 119.800 -0.035 0.000 2.135 161 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 161 Q C 1.206 177.176 176.000 -0.049 0.000 0.981 161 Q CA 1.839 57.625 55.803 -0.028 0.000 0.856 161 Q CB -0.162 28.567 28.738 -0.014 0.000 0.902 161 Q HN 0.698 nan 8.270 nan 0.000 0.425 162 N N -0.113 118.557 118.700 -0.051 0.000 2.398 162 N HA 0.010 4.750 4.740 -0.000 0.000 0.188 162 N C -0.218 175.237 175.510 -0.093 0.000 1.122 162 N CA -0.290 52.719 53.050 -0.069 0.000 0.866 162 N CB 0.264 38.727 38.487 -0.040 0.000 0.970 162 N HN 0.001 nan 8.380 nan 0.000 0.462 163 L N 1.726 122.889 121.223 -0.100 0.000 2.295 163 L HA 0.135 4.475 4.340 -0.000 0.000 0.288 163 L C 0.822 177.599 176.870 -0.155 0.000 1.079 163 L CA -0.069 54.691 54.840 -0.134 0.000 0.830 163 L CB 0.855 42.826 42.059 -0.146 0.000 1.200 163 L HN -0.034 nan 8.230 nan 0.000 0.438 164 V N 2.074 121.890 119.914 -0.164 0.000 3.644 164 V HA 0.718 4.838 4.120 -0.000 0.000 0.267 164 V C 0.711 176.680 176.094 -0.209 0.000 1.277 164 V CA 0.604 62.803 62.300 -0.170 0.000 1.096 164 V CB -0.475 31.256 31.823 -0.154 0.000 0.828 164 V HN 0.801 nan 8.190 nan 0.000 0.446 165 G N -0.944 107.713 108.800 -0.238 0.000 2.547 165 G HA2 0.561 4.520 3.960 -0.000 0.000 0.291 165 G HA3 0.561 4.520 3.960 -0.000 0.000 0.291 165 G C -1.947 172.781 174.900 -0.287 0.000 1.471 165 G CA -0.238 44.692 45.100 -0.283 0.000 0.798 165 G HN 0.310 nan 8.290 nan 0.000 0.504 166 V N 0.725 120.453 119.914 -0.311 0.000 2.577 166 V HA 0.451 4.571 4.120 -0.000 0.000 0.303 166 V C -0.317 175.810 176.094 0.055 0.000 1.042 166 V CA -0.936 61.261 62.300 -0.171 0.000 0.872 166 V CB 1.930 33.594 31.823 -0.264 0.000 0.998 166 V HN 0.663 nan 8.190 nan 0.000 0.423 167 K N 4.347 124.778 120.400 0.052 0.000 2.257 167 K HA 0.329 4.649 4.320 -0.000 0.000 0.270 167 K C -0.969 175.618 176.600 -0.022 0.000 1.098 167 K CA -0.471 55.846 56.287 0.049 0.000 0.943 167 K CB 0.626 33.168 32.500 0.070 0.000 1.316 167 K HN 0.633 nan 8.250 nan 0.000 0.447 168 Y N 1.521 121.881 120.300 0.101 0.000 2.480 168 Y HA 0.111 4.661 4.550 -0.000 0.000 0.341 168 Y C 0.560 176.456 175.900 -0.007 0.000 1.031 168 Y CA -0.017 58.199 58.100 0.193 0.000 1.295 168 Y CB 0.806 39.542 38.460 0.461 0.000 1.162 168 Y HN 0.624 nan 8.280 nan 0.000 0.523 169 A N 7.360 129.941 122.820 -0.398 0.000 2.631 169 A HA 0.373 4.693 4.320 -0.000 0.000 0.294 169 A C -0.364 177.061 177.584 -0.265 0.000 1.156 169 A CA -0.287 51.542 52.037 -0.346 0.000 0.963 169 A CB -0.561 18.115 19.000 -0.539 0.000 1.202 169 A HN 0.658 nan 8.150 nan 0.000 0.523 170 I N 1.197 121.586 120.570 -0.302 0.000 2.330 170 I HA 0.184 4.354 4.170 -0.000 0.000 0.289 170 I C -0.441 175.700 176.117 0.039 0.000 1.001 170 I CA -0.714 60.484 61.300 -0.169 0.000 1.193 170 I CB 1.331 39.215 38.000 -0.195 0.000 1.345 170 I HN 0.113 nan 8.210 nan 0.000 0.461 171 N N 5.450 124.054 118.700 -0.160 0.000 3.243 171 N HA 0.020 4.760 4.740 -0.000 0.000 0.310 171 N C -0.523 174.880 175.510 -0.178 0.000 1.313 171 N CA 0.317 53.154 53.050 -0.355 0.000 1.204 171 N CB -0.096 37.658 38.487 -1.222 0.000 1.483 171 N HN 0.493 nan 8.380 nan 0.000 0.553 172 D N 1.641 122.043 120.400 0.004 0.000 2.446 172 D HA 0.096 4.736 4.640 -0.000 0.000 0.251 172 D C 1.169 177.485 176.300 0.026 0.000 1.137 172 D CA -0.511 53.516 54.000 0.045 0.000 0.890 172 D CB 0.788 41.647 40.800 0.099 0.000 1.071 172 D HN -0.086 nan 8.370 nan 0.000 0.528 173 L N 3.850 125.071 121.223 -0.004 0.000 2.012 173 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 173 L C -0.615 176.241 176.870 -0.022 0.000 1.073 173 L CA 1.727 56.547 54.840 -0.034 0.000 0.748 173 L CB -2.081 40.013 42.059 0.058 0.000 0.891 173 L HN 0.367 nan 8.230 nan 0.000 0.431 174 P HA -0.125 nan 4.420 nan 0.000 0.217 174 P C 1.793 179.052 177.300 -0.068 0.000 1.150 174 P CA 1.265 64.345 63.100 -0.033 0.000 0.832 174 P CB -0.041 31.656 31.700 -0.005 0.000 0.787 175 R N -1.789 118.700 120.500 -0.017 0.000 2.073 175 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 175 R C 2.247 178.449 176.300 -0.163 0.000 1.134 175 R CA 1.369 57.464 56.100 -0.009 0.000 0.952 175 R CB -1.066 29.323 30.300 0.147 0.000 0.850 175 R HN 0.182 nan 8.270 nan 0.000 0.433 176 F N 1.387 121.103 119.950 -0.389 0.000 2.102 176 F HA -0.156 4.370 4.527 -0.000 0.000 0.298 176 F C 2.208 177.614 175.800 -0.657 0.000 1.105 176 F CA 1.373 58.898 58.000 -0.792 0.000 1.239 176 F CB -0.567 37.930 39.000 -0.838 0.000 0.991 176 F HN -0.012 nan 8.300 nan 0.000 0.474 177 A N -0.095 122.361 122.820 -0.606 0.000 1.940 177 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 177 A C 2.151 179.401 177.584 -0.558 0.000 1.176 177 A CA 2.033 53.703 52.037 -0.612 0.000 0.631 177 A CB -0.758 18.059 19.000 -0.305 0.000 0.814 177 A HN 0.389 nan 8.150 nan 0.000 0.446 178 K N -0.389 119.763 120.400 -0.414 0.000 2.062 178 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 178 K C 1.766 178.143 176.600 -0.372 0.000 1.051 178 K CA 1.531 57.630 56.287 -0.314 0.000 0.941 178 K CB -0.787 31.600 32.500 -0.188 0.000 0.719 178 K HN 0.151 nan 8.250 nan 0.000 0.440 179 V N 0.002 119.633 119.914 -0.472 0.000 2.427 179 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 179 V C 1.918 177.639 176.094 -0.622 0.000 1.051 179 V CA 1.635 63.670 62.300 -0.443 0.000 1.048 179 V CB -0.079 31.503 31.823 -0.401 0.000 0.666 179 V HN 0.188 nan 8.190 nan 0.000 0.456 180 V N 0.436 119.692 119.914 -1.096 0.000 2.407 180 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 180 V C 2.416 178.197 176.094 -0.522 0.000 1.055 180 V CA 2.411 63.984 62.300 -1.211 0.000 1.049 180 V CB -0.783 30.141 31.823 -1.499 0.000 0.662 180 V HN 0.529 nan 8.190 nan 0.000 0.455 181 R N -0.642 119.597 120.500 -0.435 0.000 2.334 181 R HA 0.134 4.474 4.340 -0.000 0.000 0.220 181 R C 1.702 177.906 176.300 -0.161 0.000 0.917 181 R CA 0.357 56.305 56.100 -0.254 0.000 1.073 181 R CB 0.089 30.242 30.300 -0.245 0.000 1.056 181 R HN 0.365 nan 8.270 nan 0.000 0.506 182 S N 0.181 115.792 115.700 -0.148 0.000 2.540 182 S HA 0.277 4.747 4.470 -0.000 0.000 0.218 182 S C 0.425 175.024 174.600 -0.002 0.000 0.977 182 S CA 0.004 58.160 58.200 -0.073 0.000 0.918 182 S CB 0.506 63.660 63.200 -0.077 0.000 0.806 182 S HN 0.122 nan 8.310 nan 0.000 0.496 183 I N 3.799 124.390 120.570 0.036 0.000 2.406 183 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 183 I C -2.324 173.839 176.117 0.077 0.000 0.999 183 I CA -2.487 58.891 61.300 0.130 0.000 1.124 183 I CB 1.882 40.030 38.000 0.247 0.000 1.289 183 I HN -0.042 nan 8.210 nan 0.000 0.441 184 P HA 0.059 nan 4.420 nan 0.000 0.269 184 P C 0.148 177.383 177.300 -0.108 0.000 1.215 184 P CA -0.127 62.918 63.100 -0.093 0.000 0.780 184 P CB 0.993 32.575 31.700 -0.196 0.000 0.898 185 E N 1.254 121.400 120.200 -0.089 0.000 2.267 185 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 185 E C 1.593 178.129 176.600 -0.106 0.000 0.998 185 E CA 1.023 57.384 56.400 -0.065 0.000 0.830 185 E CB -0.231 29.436 29.700 -0.055 0.000 0.751 185 E HN 0.673 nan 8.360 nan 0.000 0.491 186 E N 0.383 120.460 120.200 -0.205 0.000 2.219 186 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 186 E C 1.248 177.722 176.600 -0.210 0.000 0.998 186 E CA 0.972 57.222 56.400 -0.250 0.000 0.818 186 E CB 0.057 29.536 29.700 -0.368 0.000 0.741 186 E HN 0.353 nan 8.360 nan 0.000 0.477 187 H N 0.239 119.294 119.070 -0.025 0.000 2.548 187 H HA 0.126 4.682 4.556 -0.000 0.000 0.265 187 H C 0.100 175.387 175.328 -0.069 0.000 0.969 187 H CA 0.547 56.570 56.048 -0.041 0.000 1.155 187 H CB 0.020 29.761 29.762 -0.035 0.000 1.394 187 H HN 0.225 nan 8.280 nan 0.000 0.570 188 Q N 0.789 120.601 119.800 0.019 0.000 2.421 188 Q HA -0.155 4.185 4.340 -0.000 0.000 0.288 188 Q C -0.814 175.126 176.000 -0.100 0.000 1.273 188 Q CA 0.363 56.145 55.803 -0.035 0.000 0.888 188 Q CB -0.626 28.089 28.738 -0.039 0.000 0.978 188 Q HN 0.277 nan 8.270 nan 0.000 0.300 189 I N 1.095 121.558 120.570 -0.178 0.000 2.465 189 I HA 0.511 4.681 4.170 -0.000 0.000 0.291 189 I C 0.415 176.248 176.117 -0.473 0.000 1.014 189 I CA -0.668 60.387 61.300 -0.408 0.000 1.093 189 I CB 1.655 39.230 38.000 -0.710 0.000 1.267 189 I HN 0.544 nan 8.210 nan 0.000 0.431 190 A N 6.580 129.176 122.820 -0.372 0.000 2.347 190 A HA 0.343 4.663 4.320 -0.000 0.000 0.287 190 A C -1.097 176.325 177.584 -0.270 0.000 1.199 190 A CA -0.269 51.634 52.037 -0.223 0.000 0.851 190 A CB -0.194 18.728 19.000 -0.130 0.000 1.118 190 A HN 0.669 nan 8.150 nan 0.000 0.525 191 W N 3.194 124.516 121.300 0.037 0.000 2.342 191 W HA 0.536 5.196 4.660 -0.000 0.000 0.310 191 W C -0.277 176.341 176.519 0.165 0.000 1.128 191 W CA -0.201 57.228 57.345 0.140 0.000 1.322 191 W CB 0.864 30.434 29.460 0.183 0.000 1.251 191 W HN 0.406 nan 8.180 nan 0.000 0.439 192 I N 4.098 124.896 120.570 0.379 0.000 2.404 192 I HA 0.179 4.349 4.170 -0.000 0.000 0.293 192 I C -0.051 176.204 176.117 0.230 0.000 0.992 192 I CA -0.934 60.524 61.300 0.264 0.000 1.149 192 I CB 1.369 39.461 38.000 0.153 0.000 1.315 192 I HN 0.299 nan 8.210 nan 0.000 0.446 193 C N 5.493 124.885 119.300 0.153 0.000 2.619 193 C HA 0.332 4.792 4.460 -0.000 0.000 0.389 193 C C 1.652 176.577 174.990 -0.108 0.000 1.314 193 C CA -0.301 58.583 59.018 -0.223 0.000 1.678 193 C CB -1.084 26.447 27.740 -0.349 0.000 2.398 193 C HN 1.028 nan 8.230 nan 0.000 0.582 194 G N 3.647 112.353 108.800 -0.156 0.000 3.088 194 G HA2 0.069 4.029 3.960 -0.000 0.000 0.212 194 G HA3 0.069 4.029 3.960 -0.000 0.000 0.212 194 G C 1.086 176.014 174.900 0.046 0.000 1.173 194 G CA 0.881 45.977 45.100 -0.007 0.000 0.779 194 G HN 0.905 nan 8.290 nan 0.000 0.540 195 T N -2.640 111.848 114.554 -0.110 0.000 3.174 195 T HA 0.618 4.968 4.350 -0.000 0.000 0.269 195 T C 0.991 175.796 174.700 0.175 0.000 1.017 195 T CA 0.699 62.803 62.100 0.005 0.000 0.899 195 T CB 0.281 69.030 68.868 -0.199 0.000 1.077 195 T HN 1.339 nan 8.240 nan 0.000 0.552 196 A N 1.768 124.690 122.820 0.170 0.000 6.365 196 A HA -0.216 4.104 4.320 -0.000 0.000 0.240 196 A C 1.070 178.725 177.584 0.119 0.000 2.238 196 A CA 0.781 52.952 52.037 0.223 0.000 0.699 196 A CB -1.594 17.552 19.000 0.244 0.000 0.959 196 A HN 0.420 nan 8.150 nan 0.000 0.362 197 E N -0.379 119.852 120.200 0.052 0.000 2.147 197 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 197 E C 1.884 178.557 176.600 0.123 0.000 1.005 197 E CA 1.842 58.197 56.400 -0.075 0.000 0.810 197 E CB -0.130 29.566 29.700 -0.006 0.000 0.736 197 E HN 0.615 nan 8.360 nan 0.000 0.460 198 K N -0.644 119.875 120.400 0.198 0.000 2.097 198 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 198 K C 1.072 177.867 176.600 0.324 0.000 1.049 198 K CA 1.447 57.877 56.287 0.237 0.000 0.933 198 K CB -0.085 32.447 32.500 0.054 0.000 0.717 198 K HN 0.213 nan 8.250 nan 0.000 0.442 199 W N -0.280 121.237 121.300 0.361 0.000 3.013 199 W HA 0.322 4.982 4.660 -0.000 0.000 0.280 199 W C 2.008 178.722 176.519 0.326 0.000 1.249 199 W CA 0.123 57.731 57.345 0.438 0.000 1.577 199 W CB 0.119 29.696 29.460 0.196 0.000 1.057 199 W HN 0.093 nan 8.180 nan 0.000 0.613 200 A N 1.586 124.523 122.820 0.196 0.000 1.892 200 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 200 A C -0.272 177.366 177.584 0.090 0.000 1.188 200 A CA 1.961 54.016 52.037 0.029 0.000 0.631 200 A CB -1.857 16.817 19.000 -0.543 0.000 0.822 200 A HN 0.099 nan 8.150 nan 0.000 0.447 201 P HA -0.118 nan 4.420 nan 0.000 0.215 201 P C 0.991 178.134 177.300 -0.261 0.000 1.153 201 P CA 1.109 63.906 63.100 -0.505 0.000 0.853 201 P CB -0.183 30.780 31.700 -1.228 0.000 0.788 202 F N -2.404 117.650 119.950 0.174 0.000 2.146 202 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 202 F C 2.124 178.173 175.800 0.415 0.000 1.096 202 F CA 1.052 59.237 58.000 0.309 0.000 1.275 202 F CB -1.534 37.679 39.000 0.355 0.000 1.008 202 F HN -0.184 nan 8.300 nan 0.000 0.480 203 F N -0.931 119.267 119.950 0.413 0.000 2.171 203 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 203 F C 2.389 178.397 175.800 0.347 0.000 1.090 203 F CA 0.951 59.109 58.000 0.263 0.000 1.293 203 F CB -0.952 38.061 39.000 0.021 0.000 1.013 203 F HN 0.089 nan 8.300 nan 0.000 0.486 204 W N 0.477 121.982 121.300 0.343 0.000 2.335 204 W HA -0.318 4.342 4.660 -0.000 0.000 0.311 204 W C 2.678 179.309 176.519 0.188 0.000 1.213 204 W CA 2.394 59.876 57.345 0.229 0.000 1.274 204 W CB -1.014 28.510 29.460 0.106 0.000 1.148 204 W HN 0.224 nan 8.180 nan 0.000 0.498 205 H N 0.381 119.652 119.070 0.335 0.000 2.422 205 H HA -0.096 4.460 4.556 -0.000 0.000 0.298 205 H C 2.011 177.411 175.328 0.120 0.000 1.098 205 H CA 2.708 58.878 56.048 0.203 0.000 1.315 205 H CB -0.409 29.454 29.762 0.167 0.000 1.382 205 H HN 0.002 nan 8.280 nan 0.000 0.523 206 A N -1.388 121.473 122.820 0.068 0.000 2.208 206 A HA 0.370 4.690 4.320 -0.000 0.000 0.209 206 A C 1.968 179.445 177.584 -0.178 0.000 1.161 206 A CA 0.843 52.837 52.037 -0.072 0.000 0.782 206 A CB -0.318 18.746 19.000 0.107 0.000 0.816 206 A HN 0.752 nan 8.150 nan 0.000 0.477 207 G N -2.517 106.233 108.800 -0.085 0.000 2.485 207 G HA2 0.252 4.212 3.960 -0.000 0.000 0.181 207 G HA3 0.252 4.212 3.960 -0.000 0.000 0.181 207 G C 0.387 175.248 174.900 -0.065 0.000 0.999 207 G CA -0.016 44.958 45.100 -0.210 0.000 0.721 207 G HN 1.272 nan 8.290 nan 0.000 0.486 208 A N 0.342 123.293 122.820 0.218 0.000 2.407 208 A HA 0.701 5.021 4.320 -0.000 0.000 0.248 208 A C 0.819 178.187 177.584 -0.360 0.000 1.082 208 A CA 0.711 52.899 52.037 0.252 0.000 0.785 208 A CB 0.366 19.632 19.000 0.442 0.000 1.020 208 A HN 0.292 nan 8.150 nan 0.000 0.489 209 K N 0.820 121.061 120.400 -0.265 0.000 2.536 209 K HA 0.352 4.672 4.320 -0.000 0.000 0.203 209 K C 0.291 176.857 176.600 -0.057 0.000 1.063 209 K CA 0.419 56.329 56.287 -0.628 0.000 1.063 209 K CB 1.029 33.340 32.500 -0.315 0.000 0.843 209 K HN 0.903 nan 8.250 nan 0.000 0.521 210 G N 1.113 110.051 108.800 0.230 0.000 2.576 210 G HA2 0.574 4.534 3.960 -0.000 0.000 0.290 210 G HA3 0.574 4.534 3.960 -0.000 0.000 0.290 210 G C -1.815 173.333 174.900 0.412 0.000 1.442 210 G CA -0.816 44.468 45.100 0.307 0.000 0.792 210 G HN 0.101 nan 8.290 nan 0.000 0.491 211 F N -1.256 118.817 119.950 0.205 0.000 2.678 211 F HA 0.791 5.318 4.527 -0.000 0.000 0.308 211 F C -0.008 175.858 175.800 0.111 0.000 1.118 211 F CA -0.833 57.251 58.000 0.141 0.000 0.959 211 F CB 1.077 40.169 39.000 0.152 0.000 1.305 211 F HN 0.739 nan 8.300 nan 0.000 0.443 212 T N -0.670 114.072 114.554 0.312 0.000 2.874 212 T HA 0.655 5.005 4.350 -0.000 0.000 0.281 212 T C -0.374 174.522 174.700 0.326 0.000 0.994 212 T CA -0.354 61.878 62.100 0.220 0.000 1.015 212 T CB 1.480 70.478 68.868 0.216 0.000 1.028 212 T HN 1.107 nan 8.240 nan 0.000 0.523 213 S N -0.776 115.057 115.700 0.221 0.000 2.562 213 S HA 0.597 5.067 4.470 -0.000 0.000 0.274 213 S C 0.675 175.382 174.600 0.178 0.000 1.160 213 S CA -0.242 58.108 58.200 0.249 0.000 0.933 213 S CB 1.136 64.501 63.200 0.274 0.000 1.100 213 S HN 1.135 nan 8.310 nan 0.000 0.468 214 G N 2.509 111.429 108.800 0.200 0.000 2.762 214 G HA2 0.108 4.068 3.960 -0.000 0.000 0.209 214 G HA3 0.108 4.068 3.960 -0.000 0.000 0.209 214 G C 1.090 176.115 174.900 0.208 0.000 1.134 214 G CA 0.294 45.503 45.100 0.182 0.000 0.781 214 G HN 0.650 nan 8.290 nan 0.000 0.528 215 L N 2.250 123.620 121.223 0.244 0.000 2.187 215 L HA -0.061 4.279 4.340 -0.000 0.000 0.213 215 L C 2.821 179.733 176.870 0.069 0.000 1.100 215 L CA 1.905 56.867 54.840 0.202 0.000 0.765 215 L CB -0.373 41.791 42.059 0.174 0.000 0.904 215 L HN 0.159 nan 8.230 nan 0.000 0.437 216 V N -2.907 117.049 119.914 0.070 0.000 2.828 216 V HA -0.236 3.884 4.120 -0.000 0.000 0.260 216 V C 2.064 178.157 176.094 -0.002 0.000 1.101 216 V CA 2.022 64.331 62.300 0.015 0.000 1.123 216 V CB -1.570 30.262 31.823 0.014 0.000 0.704 216 V HN 0.533 nan 8.190 nan 0.000 0.493 217 N N 1.110 119.829 118.700 0.030 0.000 2.289 217 N HA -0.015 4.725 4.740 -0.000 0.000 0.184 217 N C 1.567 177.072 175.510 -0.008 0.000 1.016 217 N CA 1.999 55.058 53.050 0.016 0.000 0.872 217 N CB -0.188 38.332 38.487 0.055 0.000 0.973 217 N HN 0.804 nan 8.380 nan 0.000 0.433 218 L N -4.315 116.898 121.223 -0.016 0.000 2.694 218 L HA 0.425 4.765 4.340 -0.000 0.000 0.228 218 L C 0.024 176.828 176.870 -0.111 0.000 1.048 218 L CA 0.069 54.878 54.840 -0.051 0.000 0.887 218 L CB 0.347 42.390 42.059 -0.028 0.000 1.265 218 L HN -0.138 nan 8.230 nan 0.000 0.492 219 L N 2.513 123.644 121.223 -0.153 0.000 2.551 219 L HA 0.396 4.736 4.340 -0.000 0.000 0.248 219 L C -1.809 174.963 176.870 -0.164 0.000 1.509 219 L CA -1.096 53.616 54.840 -0.214 0.000 0.842 219 L CB 1.295 43.114 42.059 -0.399 0.000 1.087 219 L HN -0.137 nan 8.230 nan 0.000 0.512 220 P HA -0.242 nan 4.420 nan 0.000 0.219 220 P C 1.275 178.528 177.300 -0.077 0.000 1.146 220 P CA 1.207 64.264 63.100 -0.072 0.000 0.808 220 P CB 0.269 31.931 31.700 -0.063 0.000 0.779 221 Q N 1.199 120.937 119.800 -0.105 0.000 2.170 221 Q HA -0.145 4.195 4.340 -0.000 0.000 0.203 221 Q C 1.775 177.709 176.000 -0.110 0.000 0.976 221 Q CA 1.535 57.278 55.803 -0.100 0.000 0.858 221 Q CB -0.796 27.876 28.738 -0.111 0.000 0.907 221 Q HN 0.263 nan 8.270 nan 0.000 0.433 222 K N 0.724 121.030 120.400 -0.158 0.000 2.097 222 K HA 0.021 4.341 4.320 -0.000 0.000 0.205 222 K C 2.266 178.827 176.600 -0.065 0.000 1.050 222 K CA 1.161 57.347 56.287 -0.168 0.000 0.938 222 K CB -0.147 32.171 32.500 -0.303 0.000 0.718 222 K HN 0.315 nan 8.250 nan 0.000 0.442 223 A N 1.038 123.853 122.820 -0.009 0.000 1.898 223 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 223 A C 2.344 180.010 177.584 0.137 0.000 1.181 223 A CA 1.244 53.362 52.037 0.136 0.000 0.620 223 A CB -0.598 18.498 19.000 0.160 0.000 0.819 223 A HN 0.057 nan 8.150 nan 0.000 0.442 224 V N 0.390 120.321 119.914 0.029 0.000 2.407 224 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 224 V C 2.377 178.466 176.094 -0.008 0.000 1.055 224 V CA 2.278 64.578 62.300 0.000 0.000 1.049 224 V CB -0.904 30.899 31.823 -0.033 0.000 0.662 224 V HN 0.646 nan 8.190 nan 0.000 0.455 225 E N -0.384 119.799 120.200 -0.029 0.000 2.077 225 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 225 E C 2.149 178.713 176.600 -0.060 0.000 0.989 225 E CA 1.690 58.059 56.400 -0.052 0.000 0.800 225 E CB -0.233 29.426 29.700 -0.068 0.000 0.746 225 E HN 0.588 nan 8.360 nan 0.000 0.452 226 M N 0.757 120.337 119.600 -0.033 0.000 2.132 226 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 226 M C 2.295 178.535 176.300 -0.099 0.000 1.065 226 M CA 1.103 56.351 55.300 -0.087 0.000 1.122 226 M CB 0.032 32.572 32.600 -0.100 0.000 1.365 226 M HN 0.160 nan 8.290 nan 0.000 0.411 227 L N 0.931 122.198 121.223 0.075 0.000 2.017 227 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 227 L C 1.998 178.777 176.870 -0.151 0.000 1.073 227 L CA 2.031 56.881 54.840 0.017 0.000 0.745 227 L CB -0.647 41.440 42.059 0.048 0.000 0.894 227 L HN 0.378 nan 8.230 nan 0.000 0.432 228 E N -0.392 119.750 120.200 -0.096 0.000 2.072 228 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 228 E C 2.165 178.680 176.600 -0.142 0.000 0.985 228 E CA 1.063 57.406 56.400 -0.095 0.000 0.801 228 E CB -0.354 29.309 29.700 -0.062 0.000 0.750 228 E HN 0.660 nan 8.360 nan 0.000 0.452 229 A N 1.512 124.229 122.820 -0.172 0.000 1.902 229 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 229 A C 2.240 179.646 177.584 -0.297 0.000 1.181 229 A CA 1.075 52.992 52.037 -0.200 0.000 0.623 229 A CB -0.666 18.212 19.000 -0.203 0.000 0.818 229 A HN 0.114 nan 8.150 nan 0.000 0.443 230 L N -1.212 119.726 121.223 -0.475 0.000 2.017 230 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 230 L C 2.875 179.412 176.870 -0.556 0.000 1.073 230 L CA 1.570 55.931 54.840 -0.800 0.000 0.745 230 L CB -0.457 40.679 42.059 -1.538 0.000 0.894 230 L HN 0.341 nan 8.230 nan 0.000 0.432 231 R N -0.101 120.179 120.500 -0.367 0.000 2.120 231 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 231 R C 1.610 177.923 176.300 0.022 0.000 1.123 231 R CA 1.149 57.251 56.100 0.003 0.000 0.975 231 R CB -0.262 30.067 30.300 0.048 0.000 0.866 231 R HN 0.411 nan 8.270 nan 0.000 0.446 232 N N 0.686 119.355 118.700 -0.052 0.000 2.398 232 N HA -0.025 4.715 4.740 -0.000 0.000 0.188 232 N C -0.271 175.225 175.510 -0.024 0.000 1.122 232 N CA 0.260 53.295 53.050 -0.025 0.000 0.866 232 N CB 0.090 38.552 38.487 -0.041 0.000 0.970 232 N HN 0.144 nan 8.380 nan 0.000 0.462 233 N N 1.278 119.951 118.700 -0.044 0.000 2.725 233 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 233 N C -0.823 174.656 175.510 -0.052 0.000 1.103 233 N CA 0.666 53.698 53.050 -0.029 0.000 0.707 233 N CB -1.135 37.373 38.487 0.035 0.000 1.043 233 N HN 0.340 nan 8.380 nan 0.000 0.553 234 D N 0.616 120.960 120.400 -0.092 0.000 2.522 234 D HA 0.212 4.852 4.640 -0.000 0.000 0.218 234 D C 1.119 177.351 176.300 -0.114 0.000 1.149 234 D CA -0.251 53.703 54.000 -0.077 0.000 0.981 234 D CB -0.543 40.213 40.800 -0.074 0.000 1.041 234 D HN 0.273 nan 8.370 nan 0.000 0.518 235 N N 1.518 120.169 118.700 -0.081 0.000 2.061 235 N HA -0.188 4.552 4.740 -0.000 0.000 0.193 235 N C 0.800 176.306 175.510 -0.006 0.000 1.030 235 N CA 1.063 54.057 53.050 -0.092 0.000 0.856 235 N CB 0.219 38.743 38.487 0.060 0.000 1.023 235 N HN 0.379 nan 8.380 nan 0.000 0.424 236 D N 0.734 121.174 120.400 0.067 0.000 2.149 236 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 236 D C 1.909 178.249 176.300 0.067 0.000 0.990 236 D CA 0.976 55.045 54.000 0.116 0.000 0.839 236 D CB -0.361 40.483 40.800 0.074 0.000 0.948 236 D HN 0.312 nan 8.370 nan 0.000 0.460 237 A N 0.606 123.417 122.820 -0.015 0.000 1.898 237 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 237 A C 2.550 180.080 177.584 -0.090 0.000 1.181 237 A CA 0.968 52.981 52.037 -0.040 0.000 0.620 237 A CB -0.717 18.244 19.000 -0.066 0.000 0.819 237 A HN 0.125 nan 8.150 nan 0.000 0.442 238 V N -1.668 118.110 119.914 -0.227 0.000 2.255 238 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 238 V C 2.314 178.220 176.094 -0.314 0.000 1.051 238 V CA 2.128 64.182 62.300 -0.409 0.000 1.018 238 V CB -1.128 30.243 31.823 -0.754 0.000 0.641 238 V HN 0.820 nan 8.190 nan 0.000 0.445 239 W N -0.357 120.918 121.300 -0.041 0.000 2.402 239 W HA -0.099 4.561 4.660 -0.000 0.000 0.286 239 W C 2.727 179.343 176.519 0.162 0.000 1.221 239 W CA 1.061 58.439 57.345 0.054 0.000 1.257 239 W CB -0.262 29.192 29.460 -0.010 0.000 1.120 239 W HN 0.048 nan 8.180 nan 0.000 0.551 240 R N 1.176 121.836 120.500 0.268 0.000 2.066 240 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 240 R C 1.806 178.196 176.300 0.149 0.000 1.131 240 R CA 1.803 58.014 56.100 0.184 0.000 0.955 240 R CB -0.777 29.586 30.300 0.104 0.000 0.851 240 R HN 0.251 nan 8.270 nan 0.000 0.432 241 I N -0.492 120.135 120.570 0.095 0.000 2.226 241 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 241 I C 2.320 178.506 176.117 0.115 0.000 1.100 241 I CA 1.240 62.572 61.300 0.054 0.000 1.374 241 I CB -0.516 37.473 38.000 -0.018 0.000 1.057 241 I HN 0.325 nan 8.210 nan 0.000 0.413 242 W N 2.465 123.746 121.300 -0.032 0.000 2.333 242 W HA -0.225 4.435 4.660 -0.000 0.000 0.316 242 W C 2.426 179.003 176.519 0.096 0.000 1.215 242 W CA 1.757 59.105 57.345 0.005 0.000 1.278 242 W CB -0.277 29.186 29.460 0.004 0.000 1.154 242 W HN 0.053 nan 8.180 nan 0.000 0.486 243 E N -0.440 119.850 120.200 0.149 0.000 2.160 243 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 243 E C 1.614 178.165 176.600 -0.082 0.000 0.991 243 E CA 1.674 58.013 56.400 -0.102 0.000 0.810 243 E CB -0.437 29.335 29.700 0.121 0.000 0.742 243 E HN 0.345 nan 8.360 nan 0.000 0.466 244 D N 0.379 120.808 120.400 0.049 0.000 2.144 244 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 244 D C 1.694 178.172 176.300 0.296 0.000 0.978 244 D CA 0.886 54.987 54.000 0.168 0.000 0.833 244 D CB 0.119 41.010 40.800 0.150 0.000 0.961 244 D HN 0.126 nan 8.370 nan 0.000 0.470 245 I N -0.780 119.877 120.570 0.145 0.000 3.035 245 I HA -0.077 4.093 4.170 -0.000 0.000 0.271 245 I C 2.123 178.300 176.117 0.101 0.000 1.190 245 I CA 0.001 61.446 61.300 0.242 0.000 1.472 245 I CB 0.209 38.289 38.000 0.134 0.000 1.116 245 I HN -0.084 nan 8.210 nan 0.000 0.443 246 V N 2.292 122.079 119.914 -0.212 0.000 2.278 246 V HA -0.219 3.901 4.120 -0.000 0.000 0.251 246 V C -0.234 175.771 176.094 -0.147 0.000 1.062 246 V CA 2.386 64.498 62.300 -0.313 0.000 1.038 246 V CB -1.887 29.512 31.823 -0.705 0.000 0.646 246 V HN 0.318 nan 8.190 nan 0.000 0.447 247 P HA -0.194 nan 4.420 nan 0.000 0.216 247 P C 1.696 178.950 177.300 -0.077 0.000 1.150 247 P CA 1.506 64.530 63.100 -0.127 0.000 0.843 247 P CB -0.132 31.465 31.700 -0.172 0.000 0.787 248 F N 0.948 120.793 119.950 -0.174 0.000 2.146 248 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 248 F C 2.037 177.826 175.800 -0.017 0.000 1.096 248 F CA 1.526 59.457 58.000 -0.114 0.000 1.275 248 F CB -0.456 38.580 39.000 0.060 0.000 1.008 248 F HN -0.180 nan 8.300 nan 0.000 0.480 249 E N 0.258 120.486 120.200 0.046 0.000 2.106 249 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 249 E C 1.878 178.430 176.600 -0.080 0.000 0.984 249 E CA 1.304 57.690 56.400 -0.023 0.000 0.806 249 E CB -0.519 29.233 29.700 0.087 0.000 0.750 249 E HN 0.489 nan 8.360 nan 0.000 0.458 250 D N 0.505 120.853 120.400 -0.087 0.000 2.144 250 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 250 D C 2.015 178.229 176.300 -0.143 0.000 0.978 250 D CA 0.356 54.302 54.000 -0.091 0.000 0.833 250 D CB -0.128 40.617 40.800 -0.093 0.000 0.961 250 D HN 0.088 nan 8.370 nan 0.000 0.470 251 L N 1.146 122.254 121.223 -0.192 0.000 2.093 251 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 251 L C 2.093 178.820 176.870 -0.239 0.000 1.085 251 L CA 1.515 56.224 54.840 -0.219 0.000 0.755 251 L CB -0.242 41.682 42.059 -0.225 0.000 0.904 251 L HN -0.158 nan 8.230 nan 0.000 0.435 252 R N -0.875 119.446 120.500 -0.298 0.000 2.115 252 R HA -0.040 4.300 4.340 -0.000 0.000 0.230 252 R C 2.015 178.246 176.300 -0.115 0.000 1.111 252 R CA 0.994 56.954 56.100 -0.233 0.000 0.976 252 R CB -0.713 29.420 30.300 -0.279 0.000 0.870 252 R HN 0.533 nan 8.270 nan 0.000 0.445 253 G N 1.144 109.884 108.800 -0.100 0.000 2.744 253 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.211 253 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.211 253 G C 0.139 174.978 174.900 -0.102 0.000 1.143 253 G CA -0.195 44.876 45.100 -0.048 0.000 0.788 253 G HN 0.170 nan 8.290 nan 0.000 0.534 254 K N 0.005 120.270 120.400 -0.226 0.000 2.469 254 K HA 0.104 4.424 4.320 -0.000 0.000 0.274 254 K C -0.242 176.114 176.600 -0.406 0.000 0.983 254 K CA -0.202 55.791 56.287 -0.490 0.000 0.974 254 K CB 0.168 32.138 32.500 -0.884 0.000 0.913 254 K HN 0.283 nan 8.250 nan 0.000 0.493 255 Y N 0.164 120.466 120.300 0.002 0.000 3.305 255 Y HA -0.315 4.235 4.550 -0.000 0.000 0.209 255 Y C 0.405 176.311 175.900 0.010 0.000 1.354 255 Y CA 0.664 58.767 58.100 0.004 0.000 1.392 255 Y CB -2.819 35.641 38.460 0.000 0.000 1.446 255 Y HN 1.034 nan 8.280 nan 0.000 0.553 256 N N 0.564 119.314 118.700 0.082 0.000 2.727 256 N HA -0.346 4.394 4.740 -0.000 0.000 0.249 256 N C 0.323 175.876 175.510 0.071 0.000 1.048 256 N CA 0.839 53.929 53.050 0.068 0.000 0.714 256 N CB -0.272 38.257 38.487 0.070 0.000 0.959 256 N HN 0.696 nan 8.380 nan 0.000 0.544 257 Q N -4.619 115.217 119.800 0.059 0.000 2.385 257 Q HA -0.186 4.154 4.340 -0.000 0.000 0.215 257 Q C 1.243 177.296 176.000 0.087 0.000 0.671 257 Q CA 1.306 57.146 55.803 0.062 0.000 1.335 257 Q CB -1.935 26.844 28.738 0.069 0.000 1.425 257 Q HN 0.707 nan 8.270 nan 0.000 0.781 258 G N 0.713 109.593 108.800 0.134 0.000 2.462 258 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 258 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 258 G C 1.138 176.128 174.900 0.151 0.000 1.121 258 G CA 1.055 46.244 45.100 0.148 0.000 0.758 258 G HN 0.290 nan 8.290 nan 0.000 0.559 259 N N 0.544 119.342 118.700 0.163 0.000 2.461 259 N HA -0.015 4.725 4.740 -0.000 0.000 0.188 259 N C 1.886 177.415 175.510 0.031 0.000 1.134 259 N CA -0.036 53.080 53.050 0.109 0.000 0.878 259 N CB -0.305 38.220 38.487 0.063 0.000 0.972 259 N HN 0.267 nan 8.380 nan 0.000 0.456 260 N N 0.485 119.206 118.700 0.036 0.000 2.069 260 N HA -0.165 4.575 4.740 -0.000 0.000 0.196 260 N C 1.161 176.690 175.510 0.032 0.000 1.024 260 N CA 1.529 54.593 53.050 0.023 0.000 0.869 260 N CB 0.062 38.584 38.487 0.058 0.000 1.035 260 N HN 0.045 nan 8.380 nan 0.000 0.434 261 V N 0.099 120.051 119.914 0.063 0.000 2.795 261 V HA 0.005 4.125 4.120 -0.000 0.000 0.243 261 V C 2.286 178.427 176.094 0.078 0.000 1.069 261 V CA 0.653 63.001 62.300 0.080 0.000 1.089 261 V CB -0.064 31.821 31.823 0.102 0.000 0.756 261 V HN 0.131 nan 8.190 nan 0.000 0.471 262 V N 0.169 120.128 119.914 0.076 0.000 2.392 262 V HA -0.213 3.907 4.120 -0.000 0.000 0.249 262 V C 2.348 178.481 176.094 0.065 0.000 1.059 262 V CA 2.380 64.725 62.300 0.076 0.000 1.051 262 V CB 0.141 32.009 31.823 0.074 0.000 0.658 262 V HN 0.374 nan 8.190 nan 0.000 0.455 263 V N 0.046 119.980 119.914 0.033 0.000 2.343 263 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 263 V C 2.266 178.414 176.094 0.090 0.000 1.051 263 V CA 2.489 64.792 62.300 0.006 0.000 1.036 263 V CB -0.464 31.271 31.823 -0.147 0.000 0.654 263 V HN 0.521 nan 8.190 nan 0.000 0.451 264 I N -0.450 120.186 120.570 0.110 0.000 2.179 264 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 264 I C 2.571 178.795 176.117 0.177 0.000 1.088 264 I CA 1.701 63.146 61.300 0.242 0.000 1.357 264 I CB -0.410 37.712 38.000 0.204 0.000 1.051 264 I HN 0.271 nan 8.210 nan 0.000 0.409 265 K N 0.514 120.985 120.400 0.117 0.000 2.057 265 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 265 K C 1.954 178.604 176.600 0.083 0.000 1.049 265 K CA 1.320 57.659 56.287 0.087 0.000 0.931 265 K CB -0.115 32.432 32.500 0.077 0.000 0.714 265 K HN 0.389 nan 8.250 nan 0.000 0.440 266 E N 0.272 120.526 120.200 0.090 0.000 2.208 266 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 266 E C 1.947 178.603 176.600 0.094 0.000 0.988 266 E CA 0.631 57.079 56.400 0.079 0.000 0.828 266 E CB 0.068 29.810 29.700 0.070 0.000 0.763 266 E HN 0.291 nan 8.360 nan 0.000 0.478 267 A N 1.187 124.092 122.820 0.142 0.000 1.897 267 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 267 A C 2.159 179.812 177.584 0.115 0.000 1.181 267 A CA 1.002 53.142 52.037 0.171 0.000 0.620 267 A CB -0.356 18.840 19.000 0.327 0.000 0.821 267 A HN 0.101 nan 8.150 nan 0.000 0.443 268 M N -0.652 119.009 119.600 0.101 0.000 2.080 268 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 268 M C 2.045 178.357 176.300 0.020 0.000 1.068 268 M CA 1.447 56.775 55.300 0.047 0.000 1.109 268 M CB -0.437 32.181 32.600 0.030 0.000 1.342 268 M HN 0.333 nan 8.290 nan 0.000 0.405 269 E N 0.196 120.411 120.200 0.025 0.000 2.110 269 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 269 E C 1.946 178.557 176.600 0.018 0.000 0.988 269 E CA 1.319 57.726 56.400 0.011 0.000 0.804 269 E CB -0.325 29.389 29.700 0.022 0.000 0.745 269 E HN 0.600 nan 8.360 nan 0.000 0.458 270 M N -0.009 119.612 119.600 0.035 0.000 2.279 270 M HA -0.104 4.376 4.480 -0.000 0.000 0.264 270 M C 1.721 178.037 176.300 0.027 0.000 1.062 270 M CA 0.968 56.288 55.300 0.034 0.000 1.099 270 M CB -0.053 32.576 32.600 0.048 0.000 1.394 270 M HN 0.010 nan 8.290 nan 0.000 0.426 271 L N -0.500 120.739 121.223 0.025 0.000 2.653 271 L HA 0.128 4.467 4.340 -0.000 0.000 0.232 271 L C 0.317 177.183 176.870 -0.006 0.000 1.169 271 L CA -0.081 54.767 54.840 0.013 0.000 0.951 271 L CB -0.293 41.773 42.059 0.012 0.000 1.181 271 L HN 0.304 nan 8.230 nan 0.000 0.460 272 R N 0.016 120.511 120.500 -0.007 0.000 3.651 272 R HA -0.185 4.155 4.340 -0.000 0.000 0.292 272 R C -0.253 176.020 176.300 -0.045 0.000 1.161 272 R CA 0.547 56.635 56.100 -0.021 0.000 0.787 272 R CB -1.795 28.497 30.300 -0.014 0.000 1.249 272 R HN 0.517 nan 8.270 nan 0.000 0.476 273 Q N 0.307 120.075 119.800 -0.054 0.000 2.282 273 Q HA 0.288 4.628 4.340 -0.000 0.000 0.260 273 Q C -0.528 175.392 176.000 -0.134 0.000 0.964 273 Q CA -0.796 54.955 55.803 -0.087 0.000 0.880 273 Q CB 1.402 30.101 28.738 -0.065 0.000 1.286 273 Q HN 0.189 nan 8.270 nan 0.000 0.445 274 N N 0.593 119.147 118.700 -0.244 0.000 2.420 274 N HA 0.234 4.974 4.740 -0.000 0.000 0.262 274 N C -0.120 175.213 175.510 -0.295 0.000 1.144 274 N CA -0.047 52.733 53.050 -0.449 0.000 0.952 274 N CB 0.906 38.741 38.487 -1.086 0.000 1.081 274 N HN 0.687 nan 8.380 nan 0.000 0.480 275 A N 2.056 124.789 122.820 -0.145 0.000 2.150 275 A HA 0.573 4.893 4.320 -0.000 0.000 0.191 275 A C 1.112 178.719 177.584 0.039 0.000 1.591 275 A CA 0.494 52.512 52.037 -0.032 0.000 1.142 275 A CB -0.346 18.650 19.000 -0.006 0.000 1.326 275 A HN 0.843 nan 8.150 nan 0.000 0.470 276 G N -0.647 108.192 108.800 0.065 0.000 2.539 276 G HA2 0.040 4.000 3.960 -0.000 0.000 0.256 276 G HA3 0.040 4.000 3.960 -0.000 0.000 0.256 276 G C 0.357 175.317 174.900 0.102 0.000 1.233 276 G CA 0.844 46.012 45.100 0.114 0.000 0.936 276 G HN 1.865 nan 8.290 nan 0.000 0.571 277 V N -2.835 117.164 119.914 0.141 0.000 3.181 277 V HA 0.970 5.090 4.120 -0.000 0.000 0.314 277 V C 0.808 177.045 176.094 0.237 0.000 1.173 277 V CA 0.422 62.809 62.300 0.145 0.000 1.052 277 V CB 1.257 33.147 31.823 0.111 0.000 1.123 277 V HN 2.082 nan 8.190 nan 0.000 0.454 278 T N -0.383 114.289 114.554 0.196 0.000 2.874 278 T HA 0.624 4.974 4.350 -0.000 0.000 0.281 278 T C -0.079 174.711 174.700 0.151 0.000 0.994 278 T CA -0.669 61.581 62.100 0.251 0.000 1.015 278 T CB 1.029 69.988 68.868 0.151 0.000 1.028 278 T HN 0.819 nan 8.240 nan 0.000 0.523 279 R N 0.026 120.557 120.500 0.052 0.000 2.598 279 R HA 0.647 4.987 4.340 -0.000 0.000 0.279 279 R C 0.334 176.586 176.300 -0.081 0.000 0.984 279 R CA -0.831 55.162 56.100 -0.178 0.000 0.999 279 R CB 1.311 31.306 30.300 -0.509 0.000 1.114 279 R HN 0.924 nan 8.270 nan 0.000 0.493 280 A N 3.104 125.869 122.820 -0.092 0.000 2.520 280 A HA 0.091 4.411 4.320 -0.000 0.000 0.235 280 A C -1.386 176.165 177.584 -0.056 0.000 1.065 280 A CA -0.763 51.239 52.037 -0.059 0.000 0.764 280 A CB -0.226 18.735 19.000 -0.066 0.000 1.002 280 A HN 0.633 nan 8.150 nan 0.000 0.502 281 P HA 0.141 nan 4.420 nan 0.000 0.269 281 P C -0.716 176.578 177.300 -0.010 0.000 1.461 281 P CA 0.423 63.509 63.100 -0.023 0.000 0.809 281 P CB -0.272 31.415 31.700 -0.022 0.000 1.503 282 V N 2.104 122.018 119.914 0.000 0.000 2.577 282 V HA 0.247 4.367 4.120 -0.000 0.000 0.303 282 V C 0.250 176.350 176.094 0.011 0.000 1.042 282 V CA -0.731 61.577 62.300 0.013 0.000 0.872 282 V CB 2.129 33.979 31.823 0.046 0.000 0.998 282 V HN 0.225 nan 8.190 nan 0.000 0.423 283 N N 3.590 122.289 118.700 -0.002 0.000 2.776 283 N HA 0.389 5.129 4.740 -0.000 0.000 0.319 283 N C -0.190 175.328 175.510 0.013 0.000 1.316 283 N CA -0.723 52.327 53.050 0.000 0.000 0.890 283 N CB 0.534 39.011 38.487 -0.017 0.000 1.165 283 N HN 0.599 nan 8.380 nan 0.000 0.596 284 E N 0.272 120.479 120.200 0.012 0.000 2.392 284 E HA 0.137 4.487 4.350 -0.000 0.000 0.256 284 E C -0.047 176.563 176.600 0.017 0.000 1.145 284 E CA -0.381 56.032 56.400 0.022 0.000 0.929 284 E CB 0.430 30.143 29.700 0.022 0.000 0.998 284 E HN 0.526 nan 8.360 nan 0.000 0.442 285 L N 1.576 122.818 121.223 0.032 0.000 2.452 285 L HA 0.054 4.394 4.340 -0.000 0.000 0.267 285 L C 1.100 177.985 176.870 0.024 0.000 1.188 285 L CA -0.324 54.539 54.840 0.039 0.000 0.821 285 L CB 0.531 42.623 42.059 0.054 0.000 1.102 285 L HN 0.695 nan 8.230 nan 0.000 0.470 286 S N 0.829 116.544 115.700 0.026 0.000 2.608 286 S HA 0.121 4.591 4.470 -0.000 0.000 0.261 286 S C 0.876 175.490 174.600 0.024 0.000 1.314 286 S CA -0.753 57.456 58.200 0.015 0.000 0.992 286 S CB 0.700 63.910 63.200 0.016 0.000 0.935 286 S HN 0.592 nan 8.310 nan 0.000 0.564 287 N N 1.038 119.748 118.700 0.017 0.000 2.166 287 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 287 N C 1.670 177.192 175.510 0.020 0.000 1.019 287 N CA 1.441 54.501 53.050 0.016 0.000 0.856 287 N CB -0.619 37.875 38.487 0.011 0.000 0.993 287 N HN 0.884 nan 8.380 nan 0.000 0.426 288 E N 0.992 121.207 120.200 0.025 0.000 2.038 288 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 288 E C 0.673 177.290 176.600 0.029 0.000 1.000 288 E CA 1.361 57.777 56.400 0.027 0.000 0.803 288 E CB 0.080 29.803 29.700 0.038 0.000 0.750 288 E HN 0.179 nan 8.360 nan 0.000 0.448 289 D N 0.176 120.606 120.400 0.049 0.000 2.178 289 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 289 D C 1.782 178.099 176.300 0.028 0.000 0.974 289 D CA 0.815 54.843 54.000 0.046 0.000 0.841 289 D CB -0.058 40.799 40.800 0.094 0.000 0.953 289 D HN 0.171 nan 8.370 nan 0.000 0.478 290 K N 0.127 120.545 120.400 0.030 0.000 2.097 290 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 290 K C 2.068 178.677 176.600 0.016 0.000 1.049 290 K CA 0.922 57.224 56.287 0.026 0.000 0.933 290 K CB 0.018 32.533 32.500 0.025 0.000 0.717 290 K HN -0.025 nan 8.250 nan 0.000 0.442 291 Q N 1.118 120.924 119.800 0.010 0.000 2.119 291 Q HA -0.051 4.289 4.340 -0.000 0.000 0.201 291 Q C 1.774 177.767 176.000 -0.011 0.000 0.972 291 Q CA 1.282 57.085 55.803 0.000 0.000 0.847 291 Q CB -0.049 28.689 28.738 -0.000 0.000 0.903 291 Q HN 0.270 nan 8.270 nan 0.000 0.433 292 L N -0.900 120.314 121.223 -0.015 0.000 2.093 292 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 292 L C 2.183 179.027 176.870 -0.043 0.000 1.085 292 L CA 0.677 55.495 54.840 -0.037 0.000 0.755 292 L CB -0.400 41.634 42.059 -0.042 0.000 0.904 292 L HN 0.116 nan 8.230 nan 0.000 0.435 293 V N -0.687 119.218 119.914 -0.015 0.000 2.358 293 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 293 V C 2.540 178.632 176.094 -0.002 0.000 1.047 293 V CA 2.192 64.497 62.300 0.009 0.000 1.035 293 V CB -0.601 31.252 31.823 0.051 0.000 0.658 293 V HN 0.457 nan 8.190 nan 0.000 0.452 294 T N 0.005 114.558 114.554 -0.001 0.000 2.674 294 T HA -0.211 4.139 4.350 -0.000 0.000 0.265 294 T C 1.775 176.459 174.700 -0.026 0.000 1.039 294 T CA 1.814 63.913 62.100 -0.002 0.000 1.150 294 T CB -0.278 68.591 68.868 0.002 0.000 0.864 294 T HN 0.621 nan 8.240 nan 0.000 0.427 295 E N 0.542 120.716 120.200 -0.042 0.000 2.153 295 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 295 E C 2.103 178.635 176.600 -0.113 0.000 0.988 295 E CA 0.620 56.983 56.400 -0.061 0.000 0.811 295 E CB -0.215 29.449 29.700 -0.059 0.000 0.746 295 E HN 0.225 nan 8.360 nan 0.000 0.466 296 L N 0.753 121.881 121.223 -0.159 0.000 2.072 296 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 296 L C 2.073 178.722 176.870 -0.369 0.000 1.079 296 L CA 1.377 56.018 54.840 -0.331 0.000 0.752 296 L CB -0.170 41.678 42.059 -0.351 0.000 0.906 296 L HN 0.104 nan 8.230 nan 0.000 0.436 297 L N -1.651 119.482 121.223 -0.149 0.000 2.141 297 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 297 L C 2.646 179.552 176.870 0.060 0.000 1.094 297 L CA 1.281 56.141 54.840 0.033 0.000 0.763 297 L CB -0.670 41.436 42.059 0.078 0.000 0.908 297 L HN 0.312 nan 8.230 nan 0.000 0.437 298 S N -0.167 115.534 115.700 0.000 0.000 2.368 298 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 298 S C 2.294 176.906 174.600 0.020 0.000 1.029 298 S CA 1.643 59.851 58.200 0.013 0.000 0.988 298 S CB -0.166 63.030 63.200 -0.007 0.000 0.838 298 S HN 0.598 nan 8.310 nan 0.000 0.462 299 S N -0.378 115.303 115.700 -0.031 0.000 2.402 299 S HA -0.066 4.404 4.470 -0.000 0.000 0.229 299 S C 1.521 176.181 174.600 0.101 0.000 1.021 299 S CA 0.736 58.924 58.200 -0.020 0.000 0.974 299 S CB -0.725 62.406 63.200 -0.114 0.000 0.800 299 S HN 0.729 nan 8.310 nan 0.000 0.484 300 W N 2.162 123.443 121.300 -0.031 0.000 3.077 300 W HA 0.389 5.049 4.660 -0.000 0.000 0.245 300 W C 0.520 177.015 176.519 -0.040 0.000 1.316 300 W CA -0.462 56.855 57.345 -0.046 0.000 1.537 300 W CB -0.930 28.486 29.460 -0.074 0.000 1.131 300 W HN 0.369 nan 8.180 nan 0.000 0.695 301 K N -0.226 120.279 120.400 0.175 0.000 3.150 301 K HA -0.231 4.089 4.320 -0.000 0.000 0.267 301 K C 0.585 177.231 176.600 0.078 0.000 1.028 301 K CA 0.416 56.759 56.287 0.093 0.000 0.753 301 K CB -1.739 30.800 32.500 0.065 0.000 1.288 301 K HN 0.240 nan 8.250 nan 0.000 0.473 302 L N -0.433 120.851 121.223 0.101 0.000 2.672 302 L HA 0.215 4.555 4.340 -0.000 0.000 0.236 302 L C 0.870 177.769 176.870 0.049 0.000 1.092 302 L CA -0.170 54.712 54.840 0.070 0.000 0.887 302 L CB 0.255 42.376 42.059 0.104 0.000 1.168 302 L HN 0.177 nan 8.230 nan 0.000 0.502 303 L N 1.356 122.609 121.223 0.050 0.000 2.417 303 L HA 0.142 4.482 4.340 -0.000 0.000 0.268 303 L C 0.431 177.315 176.870 0.023 0.000 1.158 303 L CA -0.289 54.571 54.840 0.034 0.000 0.819 303 L CB 0.848 42.925 42.059 0.031 0.000 1.112 303 L HN 0.235 nan 8.230 nan 0.000 0.458 304 Q N 1.980 121.790 119.800 0.017 0.000 2.352 304 Q HA 0.353 4.693 4.340 -0.000 0.000 0.260 304 Q C -2.398 173.609 176.000 0.011 0.000 0.976 304 Q CA -1.853 53.957 55.803 0.012 0.000 0.881 304 Q CB -0.287 28.456 28.738 0.009 0.000 1.235 304 Q HN 0.318 nan 8.270 nan 0.000 0.419 305 P HA -0.010 nan 4.420 nan 0.000 0.266 305 P C -0.787 176.518 177.300 0.007 0.000 1.195 305 P CA 0.168 63.273 63.100 0.008 0.000 0.768 305 P CB 0.682 32.386 31.700 0.007 0.000 0.838 306 T N -0.376 114.182 114.554 0.007 0.000 2.942 306 T HA 0.831 5.181 4.350 -0.000 0.000 0.289 306 T C -0.530 174.173 174.700 0.005 0.000 1.044 306 T CA -0.795 61.309 62.100 0.006 0.000 1.023 306 T CB 2.096 70.968 68.868 0.007 0.000 1.123 306 T HN 0.432 nan 8.240 nan 0.000 0.512 307 K N 0.000 120.403 120.400 0.005 0.000 2.780 307 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 307 K CA 0.000 56.289 56.287 0.004 0.000 0.838 307 K CB 0.000 32.502 32.500 0.004 0.000 1.064 307 K HN 0.000 nan 8.250 nan 0.000 0.543