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 3ge8_1_A DATA FIRST_RESID 2 DATA SEQUENCE AMHPRKDWYE LTRATNWTPS YVTEEQLFPE RMSGHMGIPL EKWESYDEPY DATA SEQUENCE KTSYPEYVSI QREKDAGAYS VKAALERAKI YENSDPGWIS TLKSHYGAIA DATA SEQUENCE VGEYAAVTGE GRMARFSKAP GNRNMATFGM MDELRHGQLQ LFFPHEYCKK DATA SEQUENCE DRQFDWAWRA YHSNEWAAIA AKHFFDDIIT GRDAISVAIM LTFSFETGFA DATA SEQUENCE NMQFLGLAAD AAEAGDYTFA NLISSIQTDE SRHAQQGGPA LQLLIENGKR DATA SEQUENCE EEAQKKVDMA IWRAWRLFAV LTGPVMDYYT PLEDRSQSFK EFMYEWIIGQ DATA SEQUENCE FERSLIDLGL DKPWYWDLFL KDIDELHHSY HMGVWYWRTT AWWNPAAGVT DATA SEQUENCE PEERDWLEEK YPGWNKRWGR CWDVITENVL NDRMDLVSPE TLPSVCNMSQ DATA SEQUENCE IPLVGVPGDD WNIEVFSLEH NGRLYHFGSE VDRWVFQQDP VQYQNHMNIV DATA SEQUENCE DRFLAGQIQP MTLEGALKYM GFQSIEEMGK DAHDFAWADK C 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.437 177.584 -0.245 0.000 1.274 2 A CA 0.000 51.969 52.037 -0.113 0.000 0.836 2 A CB 0.000 18.950 19.000 -0.084 0.000 0.831 3 M N 2.277 121.737 119.600 -0.234 0.000 2.436 3 M HA 0.424 4.908 4.480 0.007 0.000 0.331 3 M C -0.821 175.308 176.300 -0.286 0.000 1.135 3 M CA -0.293 54.853 55.300 -0.256 0.000 0.987 3 M CB 1.252 33.822 32.600 -0.051 0.000 1.687 3 M HN 0.736 nan 8.290 nan 0.000 0.445 4 H N 2.648 121.821 119.070 0.171 0.000 2.502 4 H HA 0.441 5.001 4.556 0.007 0.000 0.327 4 H C -2.136 173.440 175.328 0.413 0.000 1.099 4 H CA -1.589 54.609 56.048 0.249 0.000 1.323 4 H CB 0.372 30.290 29.762 0.260 0.000 1.450 4 H HN 0.294 nan 8.280 nan 0.000 0.502 5 P HA 0.117 nan 4.420 nan 0.000 0.275 5 P C 1.039 178.341 177.300 0.004 0.000 1.228 5 P CA -0.448 62.775 63.100 0.205 0.000 0.786 5 P CB 1.535 33.294 31.700 0.098 0.000 0.927 6 R N 2.943 123.335 120.500 -0.180 0.000 2.119 6 R HA -0.214 4.130 4.340 0.007 0.000 0.246 6 R C 1.897 177.697 176.300 -0.833 0.000 1.146 6 R CA 2.336 57.890 56.100 -0.909 0.000 0.962 6 R CB -0.265 29.746 30.300 -0.481 0.000 0.863 6 R HN 0.513 nan 8.270 nan 0.000 0.442 7 K N -0.695 119.481 120.400 -0.373 0.000 2.280 7 K HA -0.112 4.213 4.320 0.007 0.000 0.202 7 K C 0.754 177.264 176.600 -0.150 0.000 1.047 7 K CA 1.655 57.806 56.287 -0.225 0.000 0.942 7 K CB 0.076 32.499 32.500 -0.129 0.000 0.739 7 K HN 0.202 nan 8.250 nan 0.000 0.457 8 D N 0.266 120.582 120.400 -0.141 0.000 2.333 8 D HA -0.046 4.598 4.640 0.007 0.000 0.208 8 D C 1.294 177.667 176.300 0.122 0.000 0.984 8 D CA 0.591 54.603 54.000 0.021 0.000 0.873 8 D CB -0.007 40.860 40.800 0.112 0.000 0.935 8 D HN 0.607 nan 8.370 nan 0.000 0.521 9 W N -0.936 120.442 121.300 0.131 0.000 2.870 9 W HA 0.225 4.889 4.660 0.007 0.000 0.358 9 W C 1.125 177.722 176.519 0.130 0.000 1.043 9 W CA -0.551 56.861 57.345 0.111 0.000 1.692 9 W CB -0.957 28.566 29.460 0.104 0.000 1.100 9 W HN -0.143 nan 8.180 nan 0.000 0.557 10 Y N 2.991 123.172 120.300 -0.199 0.000 2.224 10 Y HA -0.197 4.357 4.550 0.007 0.000 0.289 10 Y C 2.462 178.406 175.900 0.073 0.000 1.146 10 Y CA 2.324 60.350 58.100 -0.123 0.000 1.182 10 Y CB -0.158 38.144 38.460 -0.263 0.000 0.983 10 Y HN -0.215 nan 8.280 nan 0.000 0.524 11 E N 0.212 120.499 120.200 0.145 0.000 2.110 11 E HA -0.192 4.162 4.350 0.007 0.000 0.193 11 E C 2.240 178.877 176.600 0.061 0.000 0.988 11 E CA 1.261 57.726 56.400 0.109 0.000 0.804 11 E CB -0.413 29.357 29.700 0.116 0.000 0.745 11 E HN 0.547 nan 8.360 nan 0.000 0.458 12 L N 0.977 122.258 121.223 0.096 0.000 2.201 12 L HA -0.113 4.231 4.340 0.007 0.000 0.212 12 L C 2.599 179.498 176.870 0.049 0.000 1.105 12 L CA 1.503 56.395 54.840 0.087 0.000 0.775 12 L CB -0.829 41.302 42.059 0.120 0.000 0.913 12 L HN 0.210 nan 8.230 nan 0.000 0.440 13 T N -1.631 112.928 114.554 0.008 0.000 2.915 13 T HA -0.194 4.161 4.350 0.007 0.000 0.269 13 T C 1.629 176.286 174.700 -0.072 0.000 1.071 13 T CA 0.849 62.925 62.100 -0.041 0.000 1.132 13 T CB -0.256 68.542 68.868 -0.117 0.000 0.878 13 T HN 0.531 nan 8.240 nan 0.000 0.479 14 R N 0.786 121.237 120.500 -0.082 0.000 2.546 14 R HA 0.651 4.995 4.340 0.007 0.000 0.320 14 R C 0.645 176.973 176.300 0.047 0.000 1.021 14 R CA -0.122 55.971 56.100 -0.012 0.000 1.088 14 R CB 0.130 30.436 30.300 0.010 0.000 1.278 14 R HN 0.252 nan 8.270 nan 0.000 0.557 15 A N 1.620 124.471 122.820 0.052 0.000 3.056 15 A HA 0.179 4.504 4.320 0.007 0.000 0.274 15 A C 0.757 178.398 177.584 0.095 0.000 1.661 15 A CA -0.180 51.903 52.037 0.077 0.000 1.363 15 A CB -0.278 18.765 19.000 0.072 0.000 1.139 15 A HN 0.471 nan 8.150 nan 0.000 0.598 16 T N -2.876 111.750 114.554 0.120 0.000 3.058 16 T HA 0.170 4.525 4.350 0.007 0.000 0.278 16 T C 0.222 175.105 174.700 0.305 0.000 0.974 16 T CA -0.409 61.797 62.100 0.177 0.000 0.893 16 T CB -0.251 68.698 68.868 0.134 0.000 1.138 16 T HN 0.296 nan 8.240 nan 0.000 0.529 17 N N 2.529 121.358 118.700 0.215 0.000 2.530 17 N HA 0.551 5.295 4.740 0.007 0.000 0.273 17 N C -0.718 174.976 175.510 0.306 0.000 1.173 17 N CA -0.477 52.680 53.050 0.178 0.000 0.967 17 N CB 0.657 39.164 38.487 0.035 0.000 1.109 17 N HN 0.742 nan 8.380 nan 0.000 0.453 18 W N -0.280 121.063 121.300 0.072 0.000 3.047 18 W HA 0.514 5.178 4.660 0.007 0.000 0.341 18 W C -1.143 175.419 176.519 0.072 0.000 1.225 18 W CA -0.864 56.518 57.345 0.062 0.000 1.150 18 W CB 0.237 29.731 29.460 0.056 0.000 1.470 18 W HN 0.114 nan 8.180 nan 0.000 0.578 19 T N 4.444 119.032 114.554 0.057 0.000 2.747 19 T HA 0.278 4.633 4.350 0.007 0.000 0.301 19 T C -2.056 172.653 174.700 0.016 0.000 0.952 19 T CA -0.799 61.278 62.100 -0.037 0.000 0.983 19 T CB 0.189 69.086 68.868 0.048 0.000 0.930 19 T HN 0.170 nan 8.240 nan 0.000 0.494 20 P HA 0.369 nan 4.420 nan 0.000 0.274 20 P C -0.026 177.301 177.300 0.044 0.000 1.246 20 P CA -0.438 62.713 63.100 0.086 0.000 0.795 20 P CB 1.132 32.828 31.700 -0.008 0.000 1.006 21 S N -0.783 114.921 115.700 0.006 0.000 2.784 21 S HA 0.106 4.580 4.470 0.007 0.000 0.266 21 S C 1.250 175.627 174.600 -0.372 0.000 1.079 21 S CA 0.142 58.174 58.200 -0.281 0.000 0.989 21 S CB -0.367 62.482 63.200 -0.585 0.000 0.926 21 S HN 0.437 nan 8.310 nan 0.000 0.497 22 Y N 2.246 122.592 120.300 0.077 0.000 2.510 22 Y HA 0.395 4.949 4.550 0.007 0.000 0.273 22 Y C 0.895 176.819 175.900 0.040 0.000 1.119 22 Y CA -0.305 57.825 58.100 0.050 0.000 1.286 22 Y CB 0.335 38.823 38.460 0.046 0.000 1.061 22 Y HN 0.171 nan 8.280 nan 0.000 0.542 23 V N -3.178 116.823 119.914 0.146 0.000 3.141 23 V HA 0.721 4.845 4.120 0.007 0.000 0.312 23 V C 0.069 176.185 176.094 0.037 0.000 1.157 23 V CA -0.851 61.495 62.300 0.078 0.000 1.041 23 V CB 1.351 33.215 31.823 0.069 0.000 1.071 23 V HN 0.066 nan 8.190 nan 0.000 0.441 24 T N -1.879 112.686 114.554 0.019 0.000 2.816 24 T HA 0.346 4.700 4.350 0.007 0.000 0.282 24 T C 0.927 175.627 174.700 0.001 0.000 0.993 24 T CA 0.612 62.714 62.100 0.005 0.000 0.994 24 T CB 1.274 70.146 68.868 0.007 0.000 1.025 24 T HN 1.087 nan 8.240 nan 0.000 0.529 25 E N -0.088 120.112 120.200 -0.001 0.000 2.106 25 E HA -0.210 4.145 4.350 0.007 0.000 0.192 25 E C 1.851 178.491 176.600 0.066 0.000 0.984 25 E CA 1.211 57.625 56.400 0.023 0.000 0.806 25 E CB -0.098 29.593 29.700 -0.016 0.000 0.750 25 E HN 0.764 nan 8.360 nan 0.000 0.458 26 E N 0.615 120.840 120.200 0.041 0.000 2.208 26 E HA -0.159 4.195 4.350 0.007 0.000 0.193 26 E C 1.918 178.562 176.600 0.073 0.000 0.988 26 E CA 1.296 57.743 56.400 0.079 0.000 0.828 26 E CB 0.038 29.779 29.700 0.069 0.000 0.763 26 E HN 0.390 nan 8.360 nan 0.000 0.478 27 Q N -0.595 119.226 119.800 0.034 0.000 2.172 27 Q HA -0.063 4.282 4.340 0.007 0.000 0.200 27 Q C 1.984 177.973 176.000 -0.017 0.000 0.964 27 Q CA 1.003 56.816 55.803 0.017 0.000 0.855 27 Q CB -0.061 28.685 28.738 0.013 0.000 0.918 27 Q HN 0.261 nan 8.270 nan 0.000 0.444 28 L N -0.639 120.535 121.223 -0.082 0.000 2.109 28 L HA -0.008 4.337 4.340 0.007 0.000 0.207 28 L C 0.120 176.696 176.870 -0.490 0.000 1.086 28 L CA 1.569 56.225 54.840 -0.306 0.000 0.760 28 L CB 0.238 42.057 42.059 -0.400 0.000 0.910 28 L HN 0.016 nan 8.230 nan 0.000 0.437 29 F N 1.424 121.399 119.950 0.042 0.000 2.523 29 F HA 0.418 4.949 4.527 0.007 0.000 0.322 29 F C -2.193 173.685 175.800 0.131 0.000 1.361 29 F CA -2.758 55.300 58.000 0.095 0.000 1.151 29 F CB -0.047 38.928 39.000 -0.041 0.000 1.391 29 F HN -0.031 nan 8.300 nan 0.000 0.566 30 P HA 0.026 nan 4.420 nan 0.000 0.271 30 P C 0.772 178.070 177.300 -0.003 0.000 1.216 30 P CA 0.185 63.331 63.100 0.078 0.000 0.771 30 P CB 1.471 33.148 31.700 -0.039 0.000 0.864 31 E N 4.754 124.936 120.200 -0.030 0.000 2.118 31 E HA -0.238 4.117 4.350 0.007 0.000 0.195 31 E C 1.925 178.377 176.600 -0.247 0.000 0.992 31 E CA 1.586 57.803 56.400 -0.305 0.000 0.804 31 E CB -0.347 29.152 29.700 -0.334 0.000 0.741 31 E HN 0.418 nan 8.360 nan 0.000 0.458 32 R N -0.411 119.974 120.500 -0.192 0.000 2.152 32 R HA -0.100 4.245 4.340 0.007 0.000 0.232 32 R C 1.615 177.752 176.300 -0.273 0.000 1.117 32 R CA 1.602 57.581 56.100 -0.201 0.000 0.981 32 R CB -0.284 29.918 30.300 -0.164 0.000 0.870 32 R HN 0.238 nan 8.270 nan 0.000 0.451 33 M N 0.185 119.542 119.600 -0.405 0.000 2.534 33 M HA 0.132 4.616 4.480 0.007 0.000 0.263 33 M C 2.067 178.094 176.300 -0.456 0.000 1.152 33 M CA 0.925 55.830 55.300 -0.660 0.000 1.145 33 M CB 0.058 31.722 32.600 -1.561 0.000 1.333 33 M HN 0.249 nan 8.290 nan 0.000 0.477 34 S N -0.346 115.194 115.700 -0.267 0.000 2.468 34 S HA 0.219 4.693 4.470 0.007 0.000 0.226 34 S C 1.431 175.951 174.600 -0.133 0.000 1.051 34 S CA 1.100 59.267 58.200 -0.056 0.000 0.943 34 S CB -0.122 63.187 63.200 0.182 0.000 0.810 34 S HN 0.611 nan 8.310 nan 0.000 0.509 35 G N 1.633 110.294 108.800 -0.232 0.000 2.221 35 G HA2 -0.288 3.676 3.960 0.007 0.000 0.265 35 G HA3 -0.288 3.676 3.960 0.007 0.000 0.265 35 G C 0.224 175.047 174.900 -0.128 0.000 1.041 35 G CA 0.907 45.892 45.100 -0.190 0.000 0.807 35 G HN 0.928 nan 8.290 nan 0.000 0.502 36 H N -2.278 116.774 119.070 -0.031 0.000 2.546 36 H HA 0.386 4.946 4.556 0.007 0.000 0.277 36 H C 1.994 177.480 175.328 0.264 0.000 1.004 36 H CA 0.778 56.870 56.048 0.074 0.000 1.231 36 H CB -0.087 29.632 29.762 -0.072 0.000 1.382 36 H HN 0.625 nan 8.280 nan 0.000 0.580 37 M N -0.098 119.531 119.600 0.047 0.000 2.682 37 M HA -0.236 4.248 4.480 0.007 0.000 0.196 37 M C 1.288 177.728 176.300 0.234 0.000 0.542 37 M CA 0.896 56.263 55.300 0.112 0.000 0.593 37 M CB -1.777 30.906 32.600 0.138 0.000 2.183 37 M HN 0.870 nan 8.290 nan 0.000 0.663 38 G N 0.066 109.152 108.800 0.477 0.000 2.179 38 G HA2 -0.279 3.686 3.960 0.007 0.000 0.260 38 G HA3 -0.279 3.686 3.960 0.007 0.000 0.260 38 G C 0.042 175.100 174.900 0.263 0.000 0.977 38 G CA 0.287 45.608 45.100 0.368 0.000 0.641 38 G HN 0.621 nan 8.290 nan 0.000 0.533 39 I N 2.825 123.607 120.570 0.353 0.000 2.517 39 I HA 0.232 4.406 4.170 0.007 0.000 0.285 39 I C -1.619 174.669 176.117 0.285 0.000 1.106 39 I CA -1.882 59.563 61.300 0.243 0.000 1.402 39 I CB 0.825 38.917 38.000 0.153 0.000 1.399 39 I HN -0.075 nan 8.210 nan 0.000 0.535 40 P HA 0.086 nan 4.420 nan 0.000 0.271 40 P C 0.994 178.387 177.300 0.155 0.000 1.218 40 P CA -0.327 62.810 63.100 0.061 0.000 0.780 40 P CB 0.803 32.508 31.700 0.008 0.000 0.901 41 L N 1.101 122.372 121.223 0.081 0.000 2.030 41 L HA -0.295 4.049 4.340 0.007 0.000 0.222 41 L C 2.395 179.339 176.870 0.124 0.000 1.082 41 L CA 2.014 56.898 54.840 0.075 0.000 0.785 41 L CB -0.673 41.331 42.059 -0.091 0.000 0.895 41 L HN 0.586 nan 8.230 nan 0.000 0.439 42 E N 0.463 120.688 120.200 0.042 0.000 2.130 42 E HA -0.264 4.091 4.350 0.007 0.000 0.196 42 E C 1.986 178.592 176.600 0.010 0.000 0.998 42 E CA 1.463 57.877 56.400 0.024 0.000 0.806 42 E CB 0.032 29.734 29.700 0.004 0.000 0.738 42 E HN 0.358 nan 8.360 nan 0.000 0.459 43 K N -0.392 119.980 120.400 -0.048 0.000 2.211 43 K HA -0.151 4.174 4.320 0.007 0.000 0.203 43 K C 1.856 178.323 176.600 -0.222 0.000 1.050 43 K CA 0.890 57.066 56.287 -0.185 0.000 0.945 43 K CB -0.525 31.776 32.500 -0.332 0.000 0.732 43 K HN 0.326 nan 8.250 nan 0.000 0.451 44 W N 1.462 122.744 121.300 -0.030 0.000 2.800 44 W HA -0.010 4.655 4.660 0.007 0.000 0.249 44 W C 1.615 178.152 176.519 0.030 0.000 1.294 44 W CA 0.191 57.529 57.345 -0.011 0.000 1.402 44 W CB 0.013 29.410 29.460 -0.104 0.000 1.126 44 W HN 0.175 nan 8.180 nan 0.000 0.652 45 E N -0.127 120.173 120.200 0.167 0.000 2.427 45 E HA -0.119 4.236 4.350 0.007 0.000 0.196 45 E C 2.069 178.755 176.600 0.143 0.000 1.028 45 E CA 1.145 57.631 56.400 0.143 0.000 0.864 45 E CB -0.032 29.724 29.700 0.093 0.000 0.813 45 E HN 0.127 nan 8.360 nan 0.000 0.514 46 S N -0.467 115.302 115.700 0.115 0.000 2.593 46 S HA -0.057 4.418 4.470 0.007 0.000 0.217 46 S C 0.422 175.113 174.600 0.151 0.000 0.966 46 S CA -0.564 57.694 58.200 0.098 0.000 0.914 46 S CB -0.368 62.851 63.200 0.031 0.000 0.776 46 S HN 0.286 nan 8.310 nan 0.000 0.523 47 Y N 2.906 123.262 120.300 0.094 0.000 2.729 47 Y HA 0.194 4.748 4.550 0.007 0.000 0.331 47 Y C -0.234 175.740 175.900 0.123 0.000 1.208 47 Y CA 0.311 58.486 58.100 0.126 0.000 1.521 47 Y CB 0.191 38.767 38.460 0.192 0.000 1.233 47 Y HN 0.204 nan 8.280 nan 0.000 0.539 48 D N 6.530 126.864 120.400 -0.111 0.000 2.375 48 D HA 0.052 4.696 4.640 0.007 0.000 0.259 48 D C -1.087 175.146 176.300 -0.111 0.000 1.235 48 D CA -0.645 53.355 54.000 -0.000 0.000 0.924 48 D CB 0.375 41.187 40.800 0.019 0.000 1.143 48 D HN 0.613 nan 8.370 nan 0.000 0.529 49 E N 3.824 124.026 120.200 0.004 0.000 2.585 49 E HA -0.019 4.336 4.350 0.007 0.000 0.252 49 E C -1.833 174.803 176.600 0.059 0.000 0.981 49 E CA -0.802 55.636 56.400 0.064 0.000 0.943 49 E CB 1.053 30.930 29.700 0.296 0.000 0.923 49 E HN 0.283 nan 8.360 nan 0.000 0.486 50 P HA -0.010 nan 4.420 nan 0.000 0.245 50 P C -0.470 176.872 177.300 0.071 0.000 1.206 50 P CA 0.403 63.520 63.100 0.028 0.000 0.781 50 P CB 0.046 31.757 31.700 0.018 0.000 0.994 51 Y N 1.438 121.741 120.300 0.006 0.000 2.749 51 Y HA 0.406 4.960 4.550 0.007 0.000 0.343 51 Y C 0.048 175.960 175.900 0.020 0.000 1.015 51 Y CA -1.922 56.181 58.100 0.005 0.000 1.270 51 Y CB 0.437 38.911 38.460 0.024 0.000 1.097 51 Y HN -0.286 nan 8.280 nan 0.000 0.571 52 K N 1.911 122.433 120.400 0.203 0.000 2.087 52 K HA 0.674 4.999 4.320 0.007 0.000 0.255 52 K C -0.194 176.478 176.600 0.121 0.000 0.988 52 K CA -0.558 55.784 56.287 0.092 0.000 0.915 52 K CB 1.641 33.979 32.500 -0.270 0.000 1.043 52 K HN 0.521 nan 8.250 nan 0.000 0.457 53 T N -0.612 114.025 114.554 0.138 0.000 2.769 53 T HA 0.465 4.819 4.350 0.007 0.000 0.306 53 T C -1.736 173.050 174.700 0.143 0.000 1.400 53 T CA -0.674 61.445 62.100 0.032 0.000 1.007 53 T CB 1.298 70.054 68.868 -0.186 0.000 1.392 53 T HN 0.698 nan 8.240 nan 0.000 0.500 54 S N 0.985 116.759 115.700 0.125 0.000 2.618 54 S HA 0.481 4.955 4.470 0.007 0.000 0.277 54 S C 0.351 175.167 174.600 0.361 0.000 1.138 54 S CA -0.649 57.795 58.200 0.406 0.000 0.844 54 S CB 1.154 64.719 63.200 0.608 0.000 1.127 54 S HN 0.805 nan 8.310 nan 0.000 0.474 55 Y N 2.253 122.843 120.300 0.482 0.000 2.128 55 Y HA 0.076 4.630 4.550 0.008 0.000 0.284 55 Y C -1.200 174.877 175.900 0.295 0.000 1.154 55 Y CA 2.353 60.722 58.100 0.449 0.000 1.149 55 Y CB -1.391 37.264 38.460 0.325 0.000 0.976 55 Y HN 0.543 nan 8.280 nan 0.000 0.505 56 P HA -0.149 nan 4.420 nan 0.000 0.216 56 P C 0.958 178.316 177.300 0.096 0.000 1.153 56 P CA 2.295 65.519 63.100 0.206 0.000 0.848 56 P CB -0.071 31.754 31.700 0.208 0.000 0.787 57 E N -1.631 118.643 120.200 0.123 0.000 2.106 57 E HA -0.213 4.141 4.350 0.007 0.000 0.192 57 E C 2.048 178.633 176.600 -0.025 0.000 0.984 57 E CA 0.773 57.207 56.400 0.057 0.000 0.806 57 E CB -0.777 28.970 29.700 0.077 0.000 0.750 57 E HN 0.271 nan 8.360 nan 0.000 0.458 58 Y N 1.918 122.109 120.300 -0.182 0.000 2.097 58 Y HA -0.286 4.268 4.550 0.007 0.000 0.282 58 Y C 2.360 178.149 175.900 -0.186 0.000 1.152 58 Y CA 1.904 59.843 58.100 -0.269 0.000 1.136 58 Y CB -0.319 37.856 38.460 -0.475 0.000 0.975 58 Y HN -0.008 nan 8.280 nan 0.000 0.498 59 V N -1.448 118.382 119.914 -0.140 0.000 2.548 59 V HA -0.149 3.975 4.120 0.007 0.000 0.249 59 V C 2.157 178.166 176.094 -0.142 0.000 1.055 59 V CA 1.943 64.146 62.300 -0.162 0.000 1.065 59 V CB -1.286 30.442 31.823 -0.159 0.000 0.681 59 V HN 0.543 nan 8.190 nan 0.000 0.462 60 S N 0.325 115.964 115.700 -0.102 0.000 2.425 60 S HA 0.082 4.556 4.470 0.007 0.000 0.225 60 S C 1.945 176.495 174.600 -0.085 0.000 1.024 60 S CA 1.282 59.445 58.200 -0.062 0.000 0.951 60 S CB -0.581 62.608 63.200 -0.018 0.000 0.796 60 S HN 0.557 nan 8.310 nan 0.000 0.498 61 I N 1.382 121.875 120.570 -0.128 0.000 2.406 61 I HA -0.089 4.086 4.170 0.007 0.000 0.249 61 I C 2.717 178.728 176.117 -0.177 0.000 1.122 61 I CA 0.872 62.094 61.300 -0.130 0.000 1.431 61 I CB -0.214 37.706 38.000 -0.134 0.000 1.087 61 I HN 0.287 nan 8.210 nan 0.000 0.424 62 Q N 0.358 119.971 119.800 -0.312 0.000 2.172 62 Q HA -0.174 4.170 4.340 0.007 0.000 0.200 62 Q C 2.137 178.057 176.000 -0.134 0.000 0.964 62 Q CA 0.974 56.599 55.803 -0.296 0.000 0.855 62 Q CB -0.457 27.953 28.738 -0.546 0.000 0.918 62 Q HN 0.498 nan 8.270 nan 0.000 0.444 63 R N 1.294 121.728 120.500 -0.110 0.000 2.083 63 R HA -0.173 4.171 4.340 0.007 0.000 0.237 63 R C 1.952 178.246 176.300 -0.010 0.000 1.137 63 R CA 1.680 57.756 56.100 -0.041 0.000 0.951 63 R CB -0.092 30.187 30.300 -0.035 0.000 0.851 63 R HN 0.266 nan 8.270 nan 0.000 0.434 64 E N 0.339 120.525 120.200 -0.023 0.000 2.106 64 E HA -0.182 4.172 4.350 0.007 0.000 0.192 64 E C 1.775 178.384 176.600 0.014 0.000 0.984 64 E CA 1.179 57.579 56.400 -0.000 0.000 0.806 64 E CB 0.163 29.857 29.700 -0.010 0.000 0.750 64 E HN 0.367 nan 8.360 nan 0.000 0.458 65 K N 0.451 120.848 120.400 -0.006 0.000 2.032 65 K HA -0.167 4.158 4.320 0.007 0.000 0.209 65 K C 1.869 178.503 176.600 0.057 0.000 1.048 65 K CA 1.593 57.887 56.287 0.011 0.000 0.927 65 K CB -0.076 32.415 32.500 -0.016 0.000 0.712 65 K HN 0.087 nan 8.250 nan 0.000 0.441 66 D N 0.506 120.964 120.400 0.097 0.000 2.117 66 D HA -0.085 4.559 4.640 0.007 0.000 0.198 66 D C 1.866 178.357 176.300 0.318 0.000 0.982 66 D CA 1.216 55.358 54.000 0.237 0.000 0.828 66 D CB -0.271 40.711 40.800 0.303 0.000 0.967 66 D HN 0.177 nan 8.370 nan 0.000 0.464 67 A N 0.715 123.643 122.820 0.180 0.000 1.903 67 A HA -0.162 4.162 4.320 0.007 0.000 0.219 67 A C 2.372 180.051 177.584 0.159 0.000 1.191 67 A CA 2.521 54.647 52.037 0.148 0.000 0.638 67 A CB -1.243 17.801 19.000 0.073 0.000 0.823 67 A HN 0.333 nan 8.150 nan 0.000 0.451 68 G N -1.000 107.871 108.800 0.119 0.000 2.402 68 G HA2 0.043 4.008 3.960 0.007 0.000 0.216 68 G HA3 0.043 4.008 3.960 0.007 0.000 0.216 68 G C 1.778 176.757 174.900 0.132 0.000 1.162 68 G CA 1.504 46.668 45.100 0.106 0.000 0.777 68 G HN 0.863 nan 8.290 nan 0.000 0.539 69 A N 0.268 123.159 122.820 0.118 0.000 1.865 69 A HA -0.023 4.301 4.320 0.007 0.000 0.217 69 A C 2.250 179.946 177.584 0.186 0.000 1.191 69 A CA 1.642 53.743 52.037 0.107 0.000 0.623 69 A CB -0.719 18.251 19.000 -0.050 0.000 0.826 69 A HN 0.412 nan 8.150 nan 0.000 0.444 70 Y N 0.509 120.947 120.300 0.230 0.000 2.293 70 Y HA -0.102 4.452 4.550 0.008 0.000 0.291 70 Y C 2.985 178.937 175.900 0.087 0.000 1.137 70 Y CA 1.346 59.529 58.100 0.139 0.000 1.202 70 Y CB -0.293 38.185 38.460 0.031 0.000 0.990 70 Y HN 0.261 nan 8.280 nan 0.000 0.537 71 S N -0.697 115.144 115.700 0.235 0.000 2.383 71 S HA -0.135 4.339 4.470 0.007 0.000 0.227 71 S C 2.220 176.899 174.600 0.132 0.000 1.026 71 S CA 1.174 59.464 58.200 0.151 0.000 0.981 71 S CB -0.531 62.738 63.200 0.115 0.000 0.818 71 S HN 0.204 nan 8.310 nan 0.000 0.472 72 V N 2.143 122.146 119.914 0.149 0.000 2.358 72 V HA -0.176 3.948 4.120 0.007 0.000 0.246 72 V C 2.428 178.619 176.094 0.162 0.000 1.047 72 V CA 1.706 64.097 62.300 0.152 0.000 1.035 72 V CB -0.522 31.404 31.823 0.171 0.000 0.658 72 V HN 0.437 nan 8.190 nan 0.000 0.452 73 K N 0.418 120.916 120.400 0.164 0.000 2.001 73 K HA -0.250 4.075 4.320 0.007 0.000 0.214 73 K C 2.179 178.810 176.600 0.051 0.000 1.050 73 K CA 1.974 58.303 56.287 0.070 0.000 0.934 73 K CB -0.421 31.955 32.500 -0.207 0.000 0.718 73 K HN 0.414 nan 8.250 nan 0.000 0.443 74 A N 0.708 123.570 122.820 0.069 0.000 1.972 74 A HA -0.089 4.235 4.320 0.007 0.000 0.219 74 A C 2.228 179.850 177.584 0.064 0.000 1.169 74 A CA 1.901 53.976 52.037 0.062 0.000 0.635 74 A CB -0.632 18.415 19.000 0.078 0.000 0.810 74 A HN 0.532 nan 8.150 nan 0.000 0.446 75 A N -0.933 121.934 122.820 0.079 0.000 2.067 75 A HA 0.255 4.579 4.320 0.007 0.000 0.217 75 A C 1.801 179.436 177.584 0.084 0.000 1.156 75 A CA 0.991 53.072 52.037 0.074 0.000 0.683 75 A CB -0.282 18.762 19.000 0.074 0.000 0.808 75 A HN 0.446 nan 8.150 nan 0.000 0.455 76 L N -1.193 120.093 121.223 0.105 0.000 2.640 76 L HA 0.150 4.494 4.340 0.007 0.000 0.230 76 L C 1.562 178.505 176.870 0.121 0.000 1.123 76 L CA 0.060 54.978 54.840 0.129 0.000 0.900 76 L CB -0.075 42.092 42.059 0.181 0.000 1.146 76 L HN 0.356 nan 8.230 nan 0.000 0.484 77 E N 0.942 121.194 120.200 0.086 0.000 2.501 77 E HA -0.131 4.224 4.350 0.007 0.000 0.203 77 E C 0.948 177.595 176.600 0.080 0.000 1.072 77 E CA 0.601 57.040 56.400 0.065 0.000 0.885 77 E CB 0.253 29.961 29.700 0.013 0.000 0.813 77 E HN 0.322 nan 8.360 nan 0.000 0.556 78 R N -1.496 119.057 120.500 0.087 0.000 2.590 78 R HA 0.230 4.575 4.340 0.007 0.000 0.410 78 R C 0.748 177.105 176.300 0.096 0.000 1.010 78 R CA 0.251 56.402 56.100 0.085 0.000 1.155 78 R CB 0.695 31.032 30.300 0.061 0.000 1.455 78 R HN -0.045 nan 8.270 nan 0.000 0.567 79 A N 1.792 124.681 122.820 0.115 0.000 2.248 79 A HA -0.064 4.260 4.320 0.007 0.000 0.210 79 A C 0.571 178.225 177.584 0.117 0.000 1.174 79 A CA 0.623 52.730 52.037 0.117 0.000 0.750 79 A CB -0.081 19.004 19.000 0.141 0.000 0.780 79 A HN 0.152 nan 8.150 nan 0.000 0.478 80 K N -2.200 118.277 120.400 0.128 0.000 3.407 80 K HA -0.208 4.117 4.320 0.007 0.000 0.312 80 K C 0.751 177.429 176.600 0.130 0.000 1.302 80 K CA 1.099 57.462 56.287 0.126 0.000 0.931 80 K CB -2.569 29.987 32.500 0.093 0.000 1.257 80 K HN 0.469 nan 8.250 nan 0.000 0.454 81 I N 0.233 120.893 120.570 0.150 0.000 2.118 81 I HA -0.287 3.888 4.170 0.007 0.000 0.241 81 I C 2.377 178.562 176.117 0.113 0.000 1.070 81 I CA 2.040 63.423 61.300 0.138 0.000 1.327 81 I CB -1.045 37.070 38.000 0.191 0.000 1.034 81 I HN 0.377 nan 8.210 nan 0.000 0.405 82 Y N 1.892 122.182 120.300 -0.018 0.000 2.274 82 Y HA -0.211 4.345 4.550 0.010 0.000 0.290 82 Y C 2.374 178.265 175.900 -0.015 0.000 1.145 82 Y CA 1.595 59.627 58.100 -0.113 0.000 1.203 82 Y CB 0.133 38.419 38.460 -0.291 0.000 0.984 82 Y HN 0.219 nan 8.280 nan 0.000 0.533 83 E N -0.406 119.894 120.200 0.167 0.000 2.166 83 E HA -0.043 4.311 4.350 0.007 0.000 0.192 83 E C 1.201 177.822 176.600 0.034 0.000 0.967 83 E CA 0.663 57.149 56.400 0.142 0.000 0.840 83 E CB -0.249 29.560 29.700 0.182 0.000 0.795 83 E HN 0.496 nan 8.360 nan 0.000 0.470 84 N N 0.446 119.168 118.700 0.037 0.000 2.299 84 N HA 0.047 4.791 4.740 0.007 0.000 0.187 84 N C 0.049 175.559 175.510 0.001 0.000 1.099 84 N CA 0.075 53.137 53.050 0.020 0.000 0.867 84 N CB 0.434 38.941 38.487 0.034 0.000 0.974 84 N HN -0.139 nan 8.380 nan 0.000 0.477 85 S N 1.089 116.784 115.700 -0.008 0.000 2.572 85 S HA -0.040 4.435 4.470 0.007 0.000 0.279 85 S C 0.180 174.783 174.600 0.005 0.000 1.341 85 S CA -0.426 57.785 58.200 0.019 0.000 1.043 85 S CB 0.799 64.068 63.200 0.114 0.000 0.887 85 S HN 0.233 nan 8.310 nan 0.000 0.516 86 D N 2.619 123.046 120.400 0.046 0.000 2.525 86 D HA -0.032 4.612 4.640 0.007 0.000 0.235 86 D C -1.361 174.934 176.300 -0.009 0.000 1.137 86 D CA -1.121 52.913 54.000 0.057 0.000 0.868 86 D CB 0.891 41.764 40.800 0.120 0.000 1.180 86 D HN 0.177 nan 8.370 nan 0.000 0.465 87 P HA -0.061 nan 4.420 nan 0.000 0.222 87 P C 1.281 178.442 177.300 -0.232 0.000 1.147 87 P CA 0.777 63.727 63.100 -0.250 0.000 0.790 87 P CB 0.036 31.518 31.700 -0.363 0.000 0.780 88 G N -0.777 107.916 108.800 -0.179 0.000 2.432 88 G HA2 -0.240 3.724 3.960 0.007 0.000 0.219 88 G HA3 -0.240 3.724 3.960 0.007 0.000 0.219 88 G C 1.533 176.471 174.900 0.063 0.000 1.135 88 G CA 0.121 45.195 45.100 -0.043 0.000 0.767 88 G HN 0.287 nan 8.290 nan 0.000 0.550 89 W N 0.991 122.255 121.300 -0.060 0.000 2.409 89 W HA -0.089 4.576 4.660 0.008 0.000 0.299 89 W C 1.966 178.426 176.519 -0.098 0.000 1.203 89 W CA 0.565 57.871 57.345 -0.065 0.000 1.298 89 W CB -0.016 29.399 29.460 -0.076 0.000 1.127 89 W HN 0.073 nan 8.180 nan 0.000 0.528 90 I N 1.068 121.532 120.570 -0.176 0.000 2.264 90 I HA -0.281 3.893 4.170 0.007 0.000 0.248 90 I C 2.431 178.393 176.117 -0.258 0.000 1.111 90 I CA 1.423 62.589 61.300 -0.224 0.000 1.382 90 I CB -1.691 36.191 38.000 -0.197 0.000 1.060 90 I HN -0.093 nan 8.210 nan 0.000 0.418 91 S N 0.357 115.910 115.700 -0.245 0.000 2.368 91 S HA -0.139 4.335 4.470 0.007 0.000 0.224 91 S C 2.057 176.493 174.600 -0.273 0.000 1.029 91 S CA 1.732 59.810 58.200 -0.204 0.000 0.988 91 S CB -0.265 62.805 63.200 -0.217 0.000 0.838 91 S HN 0.484 nan 8.310 nan 0.000 0.462 92 T N 3.176 117.533 114.554 -0.327 0.000 2.665 92 T HA -0.084 4.270 4.350 0.007 0.000 0.268 92 T C 1.725 176.063 174.700 -0.603 0.000 1.035 92 T CA 1.246 63.072 62.100 -0.456 0.000 1.151 92 T CB -0.553 67.903 68.868 -0.687 0.000 0.862 92 T HN 0.269 nan 8.240 nan 0.000 0.438 93 L N 0.415 121.189 121.223 -0.748 0.000 1.989 93 L HA -0.163 4.181 4.340 0.007 0.000 0.211 93 L C 2.673 179.539 176.870 -0.007 0.000 1.071 93 L CA 1.608 56.140 54.840 -0.514 0.000 0.749 93 L CB -0.553 41.380 42.059 -0.210 0.000 0.890 93 L HN 0.233 nan 8.230 nan 0.000 0.431 94 K N 0.035 120.409 120.400 -0.043 0.000 2.032 94 K HA -0.192 4.132 4.320 0.007 0.000 0.209 94 K C 2.405 179.152 176.600 0.245 0.000 1.048 94 K CA 1.914 58.224 56.287 0.038 0.000 0.927 94 K CB -0.366 32.041 32.500 -0.155 0.000 0.712 94 K HN 0.375 nan 8.250 nan 0.000 0.441 95 S N 0.330 115.912 115.700 -0.196 0.000 2.387 95 S HA -0.211 4.263 4.470 0.007 0.000 0.226 95 S C 2.052 176.597 174.600 -0.093 0.000 1.026 95 S CA 1.349 59.240 58.200 -0.515 0.000 0.972 95 S CB -0.415 61.741 63.200 -1.741 0.000 0.814 95 S HN 0.468 nan 8.310 nan 0.000 0.477 96 H N 0.044 118.996 119.070 -0.197 0.000 2.290 96 H HA -0.114 4.447 4.556 0.008 0.000 0.298 96 H C 1.792 177.161 175.328 0.068 0.000 1.087 96 H CA 2.369 58.340 56.048 -0.128 0.000 1.291 96 H CB -0.580 29.039 29.762 -0.238 0.000 1.369 96 H HN 0.467 nan 8.280 nan 0.000 0.492 97 Y N 0.055 120.560 120.300 0.341 0.000 2.145 97 Y HA -0.045 4.509 4.550 0.007 0.000 0.286 97 Y C 2.917 178.960 175.900 0.239 0.000 1.145 97 Y CA 1.367 59.671 58.100 0.341 0.000 1.148 97 Y CB -0.915 37.818 38.460 0.456 0.000 0.981 97 Y HN 0.419 nan 8.280 nan 0.000 0.507 98 G N -0.689 108.395 108.800 0.473 0.000 2.418 98 G HA2 -0.210 3.754 3.960 0.007 0.000 0.217 98 G HA3 -0.210 3.754 3.960 0.007 0.000 0.217 98 G C 1.849 176.941 174.900 0.320 0.000 1.158 98 G CA 0.983 46.218 45.100 0.225 0.000 0.771 98 G HN 0.462 nan 8.290 nan 0.000 0.545 99 A N -0.337 122.767 122.820 0.474 0.000 2.119 99 A HA 0.302 4.627 4.320 0.007 0.000 0.216 99 A C 2.068 179.894 177.584 0.403 0.000 1.152 99 A CA 0.882 53.170 52.037 0.419 0.000 0.708 99 A CB -0.028 19.089 19.000 0.194 0.000 0.805 99 A HN 0.319 nan 8.150 nan 0.000 0.460 100 I N -1.952 118.730 120.570 0.186 0.000 3.812 100 I HA 0.128 4.302 4.170 0.007 0.000 0.292 100 I C 2.637 178.774 176.117 0.032 0.000 1.206 100 I CA 1.029 62.390 61.300 0.101 0.000 1.370 100 I CB -1.231 36.679 38.000 -0.150 0.000 1.328 100 I HN 0.252 nan 8.210 nan 0.000 0.453 101 A N 1.039 123.907 122.820 0.080 0.000 1.883 101 A HA -0.151 4.174 4.320 0.007 0.000 0.217 101 A C 2.317 179.849 177.584 -0.086 0.000 1.186 101 A CA 2.148 54.245 52.037 0.099 0.000 0.624 101 A CB -0.839 18.286 19.000 0.209 0.000 0.822 101 A HN 0.213 nan 8.150 nan 0.000 0.444 102 V N -0.441 119.249 119.914 -0.373 0.000 3.235 102 V HA 0.003 4.128 4.120 0.007 0.000 0.259 102 V C 2.598 178.212 176.094 -0.800 0.000 1.133 102 V CA 1.105 63.078 62.300 -0.545 0.000 1.128 102 V CB -0.652 30.796 31.823 -0.625 0.000 0.757 102 V HN 0.621 nan 8.190 nan 0.000 0.469 103 G N 0.010 108.182 108.800 -1.046 0.000 2.418 103 G HA2 -0.192 3.773 3.960 0.007 0.000 0.217 103 G HA3 -0.192 3.773 3.960 0.007 0.000 0.217 103 G C 1.412 176.003 174.900 -0.515 0.000 1.158 103 G CA 0.587 45.286 45.100 -0.668 0.000 0.771 103 G HN 0.494 nan 8.290 nan 0.000 0.545 104 E N -0.079 119.954 120.200 -0.278 0.000 2.070 104 E HA -0.213 4.142 4.350 0.007 0.000 0.197 104 E C 2.107 178.656 176.600 -0.085 0.000 1.004 104 E CA 1.172 57.516 56.400 -0.094 0.000 0.805 104 E CB -0.400 29.372 29.700 0.121 0.000 0.744 104 E HN 0.589 nan 8.360 nan 0.000 0.451 105 Y N 1.317 121.528 120.300 -0.148 0.000 2.224 105 Y HA -0.152 4.402 4.550 0.007 0.000 0.289 105 Y C 2.320 178.143 175.900 -0.129 0.000 1.146 105 Y CA 1.295 59.330 58.100 -0.108 0.000 1.182 105 Y CB -0.285 38.124 38.460 -0.085 0.000 0.983 105 Y HN 0.012 nan 8.280 nan 0.000 0.524 106 A N 0.269 122.987 122.820 -0.171 0.000 1.930 106 A HA -0.078 4.246 4.320 0.007 0.000 0.217 106 A C 2.386 179.828 177.584 -0.236 0.000 1.175 106 A CA 1.524 53.449 52.037 -0.187 0.000 0.627 106 A CB -1.368 17.566 19.000 -0.111 0.000 0.815 106 A HN 0.550 nan 8.150 nan 0.000 0.443 107 A N -0.375 122.287 122.820 -0.262 0.000 2.019 107 A HA 0.013 4.338 4.320 0.007 0.000 0.219 107 A C 2.120 179.565 177.584 -0.233 0.000 1.164 107 A CA 1.595 53.496 52.037 -0.227 0.000 0.644 107 A CB -0.847 18.028 19.000 -0.210 0.000 0.805 107 A HN 0.392 nan 8.150 nan 0.000 0.449 108 V N -0.385 119.344 119.914 -0.307 0.000 2.324 108 V HA -0.274 3.850 4.120 0.007 0.000 0.250 108 V C 2.706 178.650 176.094 -0.251 0.000 1.060 108 V CA 2.559 64.667 62.300 -0.320 0.000 1.042 108 V CB -1.295 30.239 31.823 -0.482 0.000 0.650 108 V HN 0.608 nan 8.190 nan 0.000 0.450 109 T N 0.117 114.527 114.554 -0.239 0.000 2.777 109 T HA -0.076 4.279 4.350 0.007 0.000 0.266 109 T C 1.946 176.587 174.700 -0.098 0.000 1.040 109 T CA 1.395 63.407 62.100 -0.147 0.000 1.141 109 T CB -0.647 68.150 68.868 -0.118 0.000 0.868 109 T HN 0.640 nan 8.240 nan 0.000 0.444 110 G N 1.913 110.652 108.800 -0.102 0.000 2.529 110 G HA2 -0.270 3.694 3.960 0.007 0.000 0.219 110 G HA3 -0.270 3.694 3.960 0.007 0.000 0.219 110 G C 1.524 176.379 174.900 -0.074 0.000 1.177 110 G CA 0.839 45.896 45.100 -0.071 0.000 0.773 110 G HN 0.420 nan 8.290 nan 0.000 0.573 111 E N 0.582 120.710 120.200 -0.120 0.000 2.150 111 E HA -0.060 4.294 4.350 0.007 0.000 0.193 111 E C 2.784 179.320 176.600 -0.106 0.000 0.985 111 E CA 0.936 57.260 56.400 -0.127 0.000 0.814 111 E CB -0.650 28.936 29.700 -0.191 0.000 0.752 111 E HN 0.409 nan 8.360 nan 0.000 0.466 112 G N 1.308 110.043 108.800 -0.108 0.000 2.422 112 G HA2 -0.283 3.682 3.960 0.007 0.000 0.218 112 G HA3 -0.283 3.682 3.960 0.007 0.000 0.218 112 G C 1.785 176.657 174.900 -0.047 0.000 1.140 112 G CA 0.624 45.666 45.100 -0.096 0.000 0.775 112 G HN 0.141 nan 8.290 nan 0.000 0.545 113 R N -0.027 120.478 120.500 0.010 0.000 2.073 113 R HA 0.102 4.446 4.340 0.007 0.000 0.234 113 R C 2.644 179.022 176.300 0.131 0.000 1.134 113 R CA 1.490 57.671 56.100 0.135 0.000 0.952 113 R CB -0.391 29.964 30.300 0.091 0.000 0.850 113 R HN 0.381 nan 8.270 nan 0.000 0.433 114 M N -0.963 118.654 119.600 0.028 0.000 2.156 114 M HA -0.038 4.446 4.480 0.007 0.000 0.264 114 M C 2.273 178.545 176.300 -0.047 0.000 1.067 114 M CA 1.656 56.954 55.300 -0.003 0.000 1.131 114 M CB -0.272 32.310 32.600 -0.030 0.000 1.368 114 M HN 0.303 nan 8.290 nan 0.000 0.416 115 A N 0.456 123.227 122.820 -0.081 0.000 1.940 115 A HA -0.233 4.092 4.320 0.007 0.000 0.219 115 A C 2.113 179.612 177.584 -0.142 0.000 1.176 115 A CA 2.196 54.164 52.037 -0.116 0.000 0.631 115 A CB -0.559 18.358 19.000 -0.137 0.000 0.814 115 A HN 0.414 nan 8.150 nan 0.000 0.446 116 R N -1.733 118.640 120.500 -0.211 0.000 2.090 116 R HA 0.131 4.476 4.340 0.007 0.000 0.219 116 R C 0.930 176.991 176.300 -0.400 0.000 1.100 116 R CA 1.527 57.367 56.100 -0.432 0.000 0.991 116 R CB -0.517 29.320 30.300 -0.771 0.000 0.893 116 R HN 0.398 nan 8.270 nan 0.000 0.443 117 F N -0.065 119.897 119.950 0.019 0.000 2.678 117 F HA 0.425 4.956 4.527 0.007 0.000 0.305 117 F C 0.617 176.468 175.800 0.085 0.000 1.090 117 F CA -0.190 57.873 58.000 0.106 0.000 1.272 117 F CB 0.141 39.159 39.000 0.031 0.000 1.060 117 F HN -0.103 nan 8.300 nan 0.000 0.576 118 S N 0.899 116.645 115.700 0.077 0.000 2.549 118 S HA 0.055 4.530 4.470 0.007 0.000 0.283 118 S C 1.328 175.687 174.600 -0.401 0.000 1.320 118 S CA -0.275 57.803 58.200 -0.204 0.000 1.058 118 S CB 0.679 63.737 63.200 -0.236 0.000 0.882 118 S HN 0.323 nan 8.310 nan 0.000 0.498 119 K N 2.869 122.749 120.400 -0.866 0.000 2.366 119 K HA 0.117 4.441 4.320 0.007 0.000 0.198 119 K C 0.685 176.949 176.600 -0.561 0.000 1.044 119 K CA 0.438 56.059 56.287 -1.110 0.000 0.973 119 K CB 0.003 31.603 32.500 -1.500 0.000 0.767 119 K HN 0.655 nan 8.250 nan 0.000 0.475 120 A N 2.721 125.295 122.820 -0.411 0.000 2.395 120 A HA 0.173 4.498 4.320 0.007 0.000 0.286 120 A C -1.834 175.610 177.584 -0.233 0.000 1.193 120 A CA -1.371 50.552 52.037 -0.190 0.000 0.852 120 A CB 0.267 19.049 19.000 -0.362 0.000 1.118 120 A HN -0.053 nan 8.150 nan 0.000 0.524 121 P HA -0.148 nan 4.420 nan 0.000 0.215 121 P C 1.707 178.989 177.300 -0.031 0.000 1.153 121 P CA 1.988 65.068 63.100 -0.034 0.000 0.853 121 P CB 0.075 31.799 31.700 0.040 0.000 0.788 122 G N -0.292 108.527 108.800 0.032 0.000 2.432 122 G HA2 -0.292 3.672 3.960 0.007 0.000 0.219 122 G HA3 -0.292 3.672 3.960 0.007 0.000 0.219 122 G C 1.697 176.627 174.900 0.049 0.000 1.135 122 G CA 0.757 45.952 45.100 0.159 0.000 0.767 122 G HN 0.261 nan 8.290 nan 0.000 0.550 123 N N 0.966 119.396 118.700 -0.451 0.000 2.084 123 N HA -0.087 4.657 4.740 0.007 0.000 0.190 123 N C 2.295 177.713 175.510 -0.153 0.000 1.030 123 N CA 1.081 53.902 53.050 -0.382 0.000 0.849 123 N CB -0.351 37.666 38.487 -0.783 0.000 1.012 123 N HN 0.310 nan 8.380 nan 0.000 0.423 124 R N -0.181 120.222 120.500 -0.161 0.000 2.081 124 R HA -0.032 4.312 4.340 0.007 0.000 0.235 124 R C 1.607 177.851 176.300 -0.094 0.000 1.131 124 R CA 1.411 57.447 56.100 -0.107 0.000 0.960 124 R CB -0.333 29.918 30.300 -0.082 0.000 0.856 124 R HN 0.355 nan 8.270 nan 0.000 0.436 125 N N 0.243 118.908 118.700 -0.057 0.000 2.106 125 N HA -0.092 4.653 4.740 0.007 0.000 0.188 125 N C 1.728 177.223 175.510 -0.024 0.000 1.029 125 N CA 1.189 54.194 53.050 -0.075 0.000 0.848 125 N CB -0.143 38.352 38.487 0.013 0.000 1.007 125 N HN 0.087 nan 8.380 nan 0.000 0.423 126 M N 0.827 120.509 119.600 0.137 0.000 2.159 126 M HA 0.043 4.528 4.480 0.007 0.000 0.263 126 M C 2.040 178.407 176.300 0.111 0.000 1.063 126 M CA 0.754 56.201 55.300 0.245 0.000 1.110 126 M CB -1.338 31.432 32.600 0.283 0.000 1.374 126 M HN 0.119 nan 8.290 nan 0.000 0.411 127 A N -0.485 122.339 122.820 0.008 0.000 2.019 127 A HA -0.122 4.202 4.320 0.007 0.000 0.219 127 A C 2.305 179.808 177.584 -0.136 0.000 1.164 127 A CA 2.024 54.023 52.037 -0.062 0.000 0.644 127 A CB -0.980 17.974 19.000 -0.075 0.000 0.805 127 A HN 0.484 nan 8.150 nan 0.000 0.449 128 T N -0.559 113.868 114.554 -0.211 0.000 2.821 128 T HA -0.058 4.296 4.350 0.007 0.000 0.267 128 T C 1.388 175.851 174.700 -0.396 0.000 1.046 128 T CA 1.429 63.328 62.100 -0.335 0.000 1.139 128 T CB -0.390 68.208 68.868 -0.449 0.000 0.871 128 T HN 0.447 nan 8.240 nan 0.000 0.454 129 F N 1.524 121.341 119.950 -0.221 0.000 2.234 129 F HA 0.164 4.695 4.527 0.007 0.000 0.299 129 F C 2.585 178.261 175.800 -0.207 0.000 1.087 129 F CA 0.340 58.105 58.000 -0.392 0.000 1.340 129 F CB -1.184 37.582 39.000 -0.389 0.000 1.031 129 F HN 0.204 nan 8.300 nan 0.000 0.500 130 G N -0.118 108.673 108.800 -0.016 0.000 2.418 130 G HA2 -0.244 3.720 3.960 0.007 0.000 0.217 130 G HA3 -0.244 3.720 3.960 0.007 0.000 0.217 130 G C 1.700 176.448 174.900 -0.253 0.000 1.158 130 G CA 0.857 45.831 45.100 -0.210 0.000 0.771 130 G HN 0.250 nan 8.290 nan 0.000 0.545 131 M N -0.078 119.406 119.600 -0.193 0.000 2.108 131 M HA -0.024 4.460 4.480 0.007 0.000 0.261 131 M C 2.694 178.916 176.300 -0.131 0.000 1.066 131 M CA 1.274 56.466 55.300 -0.180 0.000 1.107 131 M CB -0.320 32.183 32.600 -0.162 0.000 1.356 131 M HN 0.115 nan 8.290 nan 0.000 0.406 132 M N 0.061 119.615 119.600 -0.077 0.000 2.132 132 M HA -0.164 4.320 4.480 0.007 0.000 0.263 132 M C 1.547 177.887 176.300 0.068 0.000 1.065 132 M CA 1.595 56.916 55.300 0.036 0.000 1.122 132 M CB -1.235 31.419 32.600 0.092 0.000 1.365 132 M HN 0.197 nan 8.290 nan 0.000 0.411 133 D N 0.480 120.909 120.400 0.050 0.000 2.104 133 D HA -0.159 4.485 4.640 0.007 0.000 0.194 133 D C 1.979 177.968 176.300 -0.518 0.000 0.994 133 D CA 1.153 55.090 54.000 -0.105 0.000 0.830 133 D CB -0.200 40.645 40.800 0.075 0.000 0.959 133 D HN 0.335 nan 8.370 nan 0.000 0.452 134 E N 0.347 120.320 120.200 -0.378 0.000 2.150 134 E HA -0.108 4.247 4.350 0.007 0.000 0.193 134 E C 2.273 178.805 176.600 -0.114 0.000 0.985 134 E CA 0.055 56.273 56.400 -0.303 0.000 0.814 134 E CB -0.374 29.184 29.700 -0.238 0.000 0.752 134 E HN 0.225 nan 8.360 nan 0.000 0.466 135 L N 1.798 122.977 121.223 -0.074 0.000 2.012 135 L HA -0.184 4.161 4.340 0.007 0.000 0.210 135 L C 2.584 179.529 176.870 0.126 0.000 1.073 135 L CA 1.874 56.757 54.840 0.072 0.000 0.748 135 L CB -0.428 41.674 42.059 0.072 0.000 0.891 135 L HN -0.017 nan 8.230 nan 0.000 0.431 136 R N -1.319 119.229 120.500 0.080 0.000 2.096 136 R HA -0.230 4.115 4.340 0.007 0.000 0.240 136 R C 2.306 178.764 176.300 0.265 0.000 1.139 136 R CA 2.290 58.486 56.100 0.159 0.000 0.952 136 R CB -0.623 29.767 30.300 0.150 0.000 0.854 136 R HN 0.640 nan 8.270 nan 0.000 0.436 137 H N -1.704 117.444 119.070 0.130 0.000 2.353 137 H HA -0.044 4.516 4.556 0.008 0.000 0.300 137 H C 2.064 177.495 175.328 0.171 0.000 1.090 137 H CA 0.519 56.648 56.048 0.136 0.000 1.327 137 H CB -0.119 29.715 29.762 0.119 0.000 1.383 137 H HN 0.498 nan 8.280 nan 0.000 0.508 138 G N 0.593 109.570 108.800 0.295 0.000 2.418 138 G HA2 -0.252 3.713 3.960 0.007 0.000 0.217 138 G HA3 -0.252 3.713 3.960 0.007 0.000 0.217 138 G C 1.493 176.540 174.900 0.244 0.000 1.158 138 G CA 0.564 45.819 45.100 0.258 0.000 0.771 138 G HN 0.413 nan 8.290 nan 0.000 0.545 139 Q N -0.344 119.602 119.800 0.244 0.000 2.123 139 Q HA 0.123 4.468 4.340 0.007 0.000 0.199 139 Q C 2.685 178.871 176.000 0.310 0.000 0.966 139 Q CA 0.561 56.507 55.803 0.238 0.000 0.845 139 Q CB -0.192 28.668 28.738 0.203 0.000 0.907 139 Q HN 0.423 nan 8.270 nan 0.000 0.439 140 L N 0.465 121.862 121.223 0.291 0.000 2.046 140 L HA -0.226 4.119 4.340 0.007 0.000 0.208 140 L C 2.093 179.161 176.870 0.330 0.000 1.077 140 L CA 1.337 56.344 54.840 0.278 0.000 0.747 140 L CB -0.190 41.898 42.059 0.049 0.000 0.896 140 L HN 0.246 nan 8.230 nan 0.000 0.432 141 Q N -0.744 119.244 119.800 0.313 0.000 2.403 141 Q HA 0.052 4.396 4.340 0.007 0.000 0.203 141 Q C 1.980 178.159 176.000 0.298 0.000 0.932 141 Q CA 0.242 56.287 55.803 0.404 0.000 0.945 141 Q CB 0.413 29.445 28.738 0.490 0.000 1.045 141 Q HN 0.547 nan 8.270 nan 0.000 0.511 142 L N -1.410 119.975 121.223 0.271 0.000 2.221 142 L HA 0.017 4.361 4.340 0.007 0.000 0.202 142 L C 1.865 178.868 176.870 0.222 0.000 1.074 142 L CA 0.406 55.377 54.840 0.218 0.000 0.795 142 L CB -0.220 41.960 42.059 0.203 0.000 0.960 142 L HN 0.195 nan 8.230 nan 0.000 0.458 143 F N 0.323 120.379 119.950 0.177 0.000 2.134 143 F HA -0.234 4.298 4.527 0.007 0.000 0.299 143 F C 2.177 178.078 175.800 0.169 0.000 1.097 143 F CA 1.582 59.684 58.000 0.170 0.000 1.264 143 F CB -0.096 39.086 39.000 0.303 0.000 1.001 143 F HN -0.114 nan 8.300 nan 0.000 0.479 144 F N 1.119 121.132 119.950 0.105 0.000 2.128 144 F HA -0.030 4.501 4.527 0.006 0.000 0.295 144 F C -0.325 175.284 175.800 -0.318 0.000 1.100 144 F CA 0.892 58.880 58.000 -0.020 0.000 1.260 144 F CB -2.192 36.905 39.000 0.162 0.000 1.009 144 F HN -0.022 nan 8.300 nan 0.000 0.476 145 P HA -0.171 nan 4.420 nan 0.000 0.229 145 P C 1.551 178.686 177.300 -0.274 0.000 1.160 145 P CA 1.455 64.320 63.100 -0.391 0.000 0.777 145 P CB -0.414 31.025 31.700 -0.436 0.000 0.814 146 H N 2.284 121.163 119.070 -0.318 0.000 2.422 146 H HA -0.139 4.422 4.556 0.007 0.000 0.298 146 H C 1.641 176.735 175.328 -0.390 0.000 1.098 146 H CA 1.927 57.805 56.048 -0.283 0.000 1.315 146 H CB 0.086 29.664 29.762 -0.307 0.000 1.382 146 H HN 0.278 nan 8.280 nan 0.000 0.523 147 E N -0.460 119.406 120.200 -0.557 0.000 2.347 147 E HA -0.162 4.192 4.350 0.007 0.000 0.196 147 E C 0.964 177.157 176.600 -0.677 0.000 1.008 147 E CA 0.683 56.701 56.400 -0.637 0.000 0.852 147 E CB -0.340 28.949 29.700 -0.685 0.000 0.783 147 E HN 0.452 nan 8.360 nan 0.000 0.505 148 Y N 0.273 120.307 120.300 -0.444 0.000 2.490 148 Y HA 0.118 4.674 4.550 0.009 0.000 0.281 148 Y C 2.010 177.754 175.900 -0.261 0.000 1.174 148 Y CA -1.103 56.681 58.100 -0.526 0.000 1.295 148 Y CB -0.442 37.320 38.460 -1.163 0.000 1.062 148 Y HN 0.217 nan 8.280 nan 0.000 0.522 149 C N 0.904 120.132 119.300 -0.120 0.000 2.385 149 C HA -0.260 4.204 4.460 0.007 0.000 0.275 149 C C 2.585 177.560 174.990 -0.025 0.000 1.207 149 C CA 1.956 60.954 59.018 -0.033 0.000 1.760 149 C CB -0.975 26.633 27.740 -0.221 0.000 2.051 149 C HN 0.631 nan 8.230 nan 0.000 0.467 150 K N 0.491 120.822 120.400 -0.114 0.000 2.504 150 K HA -0.039 4.285 4.320 0.007 0.000 0.195 150 K C 1.591 178.158 176.600 -0.056 0.000 1.036 150 K CA 1.069 57.303 56.287 -0.089 0.000 0.984 150 K CB -0.151 32.275 32.500 -0.123 0.000 0.788 150 K HN 0.459 nan 8.250 nan 0.000 0.488 151 K N 0.079 120.442 120.400 -0.062 0.000 2.308 151 K HA 0.055 4.379 4.320 0.007 0.000 0.197 151 K C -0.231 176.412 176.600 0.071 0.000 1.049 151 K CA 0.325 56.553 56.287 -0.098 0.000 0.991 151 K CB 0.434 32.650 32.500 -0.474 0.000 0.836 151 K HN 0.133 nan 8.250 nan 0.000 0.500 152 D N -0.134 120.378 120.400 0.186 0.000 2.614 152 D HA 0.119 4.763 4.640 0.007 0.000 0.203 152 D C 0.070 176.552 176.300 0.304 0.000 1.312 152 D CA -0.132 54.040 54.000 0.287 0.000 0.889 152 D CB 1.068 42.137 40.800 0.449 0.000 1.615 152 D HN -0.173 nan 8.370 nan 0.000 0.567 153 R N 1.550 122.194 120.500 0.241 0.000 2.189 153 R HA -0.063 4.282 4.340 0.007 0.000 0.223 153 R C 1.719 178.244 176.300 0.375 0.000 1.092 153 R CA 0.953 57.212 56.100 0.266 0.000 0.989 153 R CB 0.260 30.701 30.300 0.235 0.000 0.876 153 R HN 0.503 nan 8.270 nan 0.000 0.457 154 Q N -0.366 119.626 119.800 0.321 0.000 2.234 154 Q HA -0.145 4.200 4.340 0.007 0.000 0.206 154 Q C 1.248 177.451 176.000 0.338 0.000 0.980 154 Q CA 1.215 57.220 55.803 0.336 0.000 0.869 154 Q CB -0.056 28.759 28.738 0.129 0.000 0.912 154 Q HN 0.295 nan 8.270 nan 0.000 0.436 155 F N 0.635 120.811 119.950 0.376 0.000 2.502 155 F HA -0.118 4.412 4.527 0.006 0.000 0.298 155 F C 1.749 177.710 175.800 0.269 0.000 1.111 155 F CA 0.941 59.137 58.000 0.327 0.000 1.445 155 F CB -0.151 39.012 39.000 0.273 0.000 1.081 155 F HN 0.082 nan 8.300 nan 0.000 0.558 156 D N -1.043 119.590 120.400 0.389 0.000 2.218 156 D HA -0.232 4.413 4.640 0.007 0.000 0.204 156 D C 1.728 178.116 176.300 0.148 0.000 0.976 156 D CA 1.136 55.279 54.000 0.237 0.000 0.853 156 D CB -0.222 40.662 40.800 0.140 0.000 0.939 156 D HN 0.276 nan 8.370 nan 0.000 0.481 157 W N 0.754 122.070 121.300 0.027 0.000 2.525 157 W HA 0.166 4.831 4.660 0.008 0.000 0.259 157 W C 2.394 178.769 176.519 -0.239 0.000 1.253 157 W CA 0.725 57.900 57.345 -0.283 0.000 1.262 157 W CB -0.497 28.525 29.460 -0.730 0.000 1.122 157 W HN -0.006 nan 8.180 nan 0.000 0.607 158 A N -0.419 122.532 122.820 0.218 0.000 1.917 158 A HA -0.259 4.066 4.320 0.007 0.000 0.219 158 A C 1.692 179.388 177.584 0.186 0.000 1.182 158 A CA 1.918 54.108 52.037 0.255 0.000 0.633 158 A CB -1.181 18.013 19.000 0.324 0.000 0.819 158 A HN 0.539 nan 8.150 nan 0.000 0.448 159 W N -0.545 120.767 121.300 0.021 0.000 2.574 159 W HA 0.128 4.792 4.660 0.007 0.000 0.282 159 W C 2.283 178.789 176.519 -0.021 0.000 1.197 159 W CA 1.001 58.345 57.345 -0.002 0.000 1.376 159 W CB -0.036 29.410 29.460 -0.022 0.000 1.091 159 W HN 0.178 nan 8.180 nan 0.000 0.569 160 R N 0.463 120.746 120.500 -0.362 0.000 2.119 160 R HA -0.017 4.327 4.340 0.007 0.000 0.222 160 R C 2.271 178.144 176.300 -0.712 0.000 1.088 160 R CA 1.197 56.796 56.100 -0.835 0.000 0.984 160 R CB -0.528 29.208 30.300 -0.940 0.000 0.884 160 R HN 0.189 nan 8.270 nan 0.000 0.447 161 A N 0.356 122.878 122.820 -0.497 0.000 1.927 161 A HA -0.232 4.093 4.320 0.007 0.000 0.220 161 A C 1.642 179.086 177.584 -0.234 0.000 1.185 161 A CA 1.492 53.329 52.037 -0.332 0.000 0.639 161 A CB -0.807 17.807 19.000 -0.644 0.000 0.820 161 A HN 0.453 nan 8.150 nan 0.000 0.451 162 Y N -0.865 119.200 120.300 -0.391 0.000 2.561 162 Y HA -0.036 4.518 4.550 0.007 0.000 0.291 162 Y C 2.095 177.718 175.900 -0.462 0.000 1.141 162 Y CA 0.894 58.785 58.100 -0.350 0.000 1.303 162 Y CB -0.122 38.122 38.460 -0.359 0.000 1.015 162 Y HN 0.490 nan 8.280 nan 0.000 0.547 163 H N -1.424 117.446 119.070 -0.334 0.000 2.539 163 H HA 0.204 4.764 4.556 0.007 0.000 0.269 163 H C 0.912 176.054 175.328 -0.310 0.000 0.980 163 H CA 0.611 56.437 56.048 -0.370 0.000 1.152 163 H CB 0.327 29.705 29.762 -0.639 0.000 1.407 163 H HN 0.221 nan 8.280 nan 0.000 0.564 164 S N 0.061 115.640 115.700 -0.203 0.000 2.704 164 S HA 0.237 4.712 4.470 0.007 0.000 0.305 164 S C 0.618 175.154 174.600 -0.106 0.000 1.107 164 S CA -0.896 57.201 58.200 -0.173 0.000 0.993 164 S CB 1.849 64.962 63.200 -0.145 0.000 1.110 164 S HN 0.106 nan 8.310 nan 0.000 0.534 165 N N 1.039 119.667 118.700 -0.120 0.000 2.273 165 N HA 0.144 4.888 4.740 0.007 0.000 0.231 165 N C -0.258 175.313 175.510 0.102 0.000 1.134 165 N CA -0.153 52.864 53.050 -0.055 0.000 0.856 165 N CB 0.203 38.511 38.487 -0.298 0.000 1.068 165 N HN 0.700 nan 8.380 nan 0.000 0.510 166 E N 1.293 121.564 120.200 0.118 0.000 2.413 166 E HA -0.103 4.251 4.350 0.007 0.000 0.263 166 E C 1.063 177.744 176.600 0.135 0.000 1.015 166 E CA -0.269 56.229 56.400 0.162 0.000 0.916 166 E CB 0.625 30.401 29.700 0.126 0.000 0.947 166 E HN 0.366 nan 8.360 nan 0.000 0.440 167 W N 4.108 125.494 121.300 0.144 0.000 2.388 167 W HA -0.067 4.597 4.660 0.006 0.000 0.294 167 W C 1.223 177.780 176.519 0.063 0.000 1.212 167 W CA 0.869 58.263 57.345 0.082 0.000 1.271 167 W CB -0.928 28.537 29.460 0.009 0.000 1.126 167 W HN 0.516 nan 8.180 nan 0.000 0.535 168 A N 1.900 124.086 122.820 -1.058 0.000 1.930 168 A HA 0.051 4.376 4.320 0.007 0.000 0.217 168 A C 2.363 179.822 177.584 -0.208 0.000 1.175 168 A CA 2.721 54.249 52.037 -0.848 0.000 0.627 168 A CB -1.095 17.273 19.000 -1.053 0.000 0.815 168 A HN 0.348 nan 8.150 nan 0.000 0.443 169 A N -0.007 122.819 122.820 0.009 0.000 1.933 169 A HA -0.059 4.266 4.320 0.007 0.000 0.218 169 A C 2.085 179.588 177.584 -0.135 0.000 1.175 169 A CA 1.448 53.457 52.037 -0.047 0.000 0.628 169 A CB -0.566 18.414 19.000 -0.034 0.000 0.814 169 A HN 0.498 nan 8.150 nan 0.000 0.444 170 I N -0.260 120.303 120.570 -0.012 0.000 2.226 170 I HA -0.276 3.898 4.170 0.007 0.000 0.245 170 I C 2.984 179.142 176.117 0.069 0.000 1.100 170 I CA 0.959 62.298 61.300 0.066 0.000 1.374 170 I CB -0.371 37.736 38.000 0.179 0.000 1.057 170 I HN 0.361 nan 8.210 nan 0.000 0.413 171 A N 0.959 123.803 122.820 0.041 0.000 1.883 171 A HA -0.247 4.077 4.320 0.007 0.000 0.217 171 A C 2.577 180.133 177.584 -0.046 0.000 1.186 171 A CA 2.161 54.202 52.037 0.006 0.000 0.624 171 A CB -1.003 17.979 19.000 -0.031 0.000 0.822 171 A HN 0.438 nan 8.150 nan 0.000 0.444 172 A N -0.180 122.565 122.820 -0.126 0.000 1.859 172 A HA -0.243 4.081 4.320 0.007 0.000 0.217 172 A C 2.134 179.693 177.584 -0.042 0.000 1.198 172 A CA 2.085 54.035 52.037 -0.145 0.000 0.629 172 A CB -0.562 18.378 19.000 -0.101 0.000 0.830 172 A HN 0.566 nan 8.150 nan 0.000 0.446 173 K N -1.622 118.721 120.400 -0.094 0.000 2.148 173 K HA -0.144 4.181 4.320 0.007 0.000 0.204 173 K C 2.137 178.797 176.600 0.101 0.000 1.050 173 K CA 1.102 57.410 56.287 0.035 0.000 0.942 173 K CB -0.336 32.137 32.500 -0.044 0.000 0.724 173 K HN 0.685 nan 8.250 nan 0.000 0.446 174 H N 0.203 119.277 119.070 0.007 0.000 2.321 174 H HA -0.170 4.390 4.556 0.007 0.000 0.300 174 H C 1.986 177.335 175.328 0.036 0.000 1.087 174 H CA 1.841 57.893 56.048 0.006 0.000 1.319 174 H CB -0.090 29.660 29.762 -0.019 0.000 1.379 174 H HN 0.160 nan 8.280 nan 0.000 0.501 175 F N 0.743 120.692 119.950 -0.002 0.000 2.075 175 F HA -0.195 4.337 4.527 0.008 0.000 0.297 175 F C 2.076 177.820 175.800 -0.093 0.000 1.113 175 F CA 1.344 59.279 58.000 -0.109 0.000 1.218 175 F CB -0.884 37.917 39.000 -0.332 0.000 0.984 175 F HN -0.002 nan 8.300 nan 0.000 0.472 176 F N 1.097 120.981 119.950 -0.110 0.000 2.234 176 F HA -0.117 4.414 4.527 0.007 0.000 0.299 176 F C 2.279 177.973 175.800 -0.176 0.000 1.087 176 F CA 1.299 59.182 58.000 -0.196 0.000 1.340 176 F CB -1.128 37.908 39.000 0.060 0.000 1.031 176 F HN 0.035 nan 8.300 nan 0.000 0.500 177 D N -0.431 119.996 120.400 0.045 0.000 2.183 177 D HA -0.134 4.510 4.640 0.007 0.000 0.203 177 D C 1.933 178.167 176.300 -0.110 0.000 0.969 177 D CA 1.034 55.022 54.000 -0.021 0.000 0.842 177 D CB -0.319 40.471 40.800 -0.016 0.000 0.957 177 D HN 0.198 nan 8.370 nan 0.000 0.484 178 D N -0.077 120.219 120.400 -0.174 0.000 2.103 178 D HA -0.076 4.569 4.640 0.007 0.000 0.199 178 D C 1.816 178.031 176.300 -0.142 0.000 0.978 178 D CA 0.554 54.457 54.000 -0.161 0.000 0.829 178 D CB 0.079 40.825 40.800 -0.090 0.000 0.981 178 D HN 0.039 nan 8.370 nan 0.000 0.464 179 I N -0.098 120.324 120.570 -0.246 0.000 2.852 179 I HA 0.056 4.230 4.170 0.007 0.000 0.264 179 I C 1.949 178.017 176.117 -0.082 0.000 1.179 179 I CA 0.529 61.718 61.300 -0.185 0.000 1.480 179 I CB 0.201 37.953 38.000 -0.414 0.000 1.111 179 I HN 0.098 nan 8.210 nan 0.000 0.441 180 I N -1.305 119.220 120.570 -0.076 0.000 3.366 180 I HA -0.028 4.146 4.170 0.007 0.000 0.267 180 I C 2.034 178.128 176.117 -0.038 0.000 1.149 180 I CA 1.107 62.389 61.300 -0.030 0.000 1.436 180 I CB -0.402 37.589 38.000 -0.015 0.000 1.379 180 I HN 0.137 nan 8.210 nan 0.000 0.460 181 T N -2.153 112.379 114.554 -0.037 0.000 3.044 181 T HA 0.153 4.507 4.350 0.007 0.000 0.250 181 T C 1.517 176.189 174.700 -0.047 0.000 1.081 181 T CA 0.589 62.667 62.100 -0.038 0.000 1.040 181 T CB 0.140 68.993 68.868 -0.024 0.000 0.962 181 T HN 0.304 nan 8.240 nan 0.000 0.506 182 G N 0.739 109.500 108.800 -0.064 0.000 3.337 182 G HA2 0.435 4.399 3.960 0.007 0.000 0.246 182 G HA3 0.435 4.399 3.960 0.007 0.000 0.246 182 G C 0.338 175.178 174.900 -0.100 0.000 1.131 182 G CA -0.678 44.370 45.100 -0.085 0.000 0.773 182 G HN 0.378 nan 8.290 nan 0.000 0.544 183 R N -0.144 120.306 120.500 -0.083 0.000 2.869 183 R HA 0.376 4.720 4.340 0.007 0.000 0.263 183 R C -1.068 175.183 176.300 -0.083 0.000 1.066 183 R CA -0.866 55.183 56.100 -0.086 0.000 0.960 183 R CB 1.139 31.401 30.300 -0.063 0.000 1.221 183 R HN 0.266 nan 8.270 nan 0.000 0.474 184 D N 0.084 120.426 120.400 -0.095 0.000 2.361 184 D HA 0.138 4.782 4.640 0.007 0.000 0.239 184 D C 0.940 177.208 176.300 -0.054 0.000 1.200 184 D CA -0.156 53.777 54.000 -0.112 0.000 0.915 184 D CB 0.643 41.360 40.800 -0.137 0.000 1.170 184 D HN 0.512 nan 8.370 nan 0.000 0.444 185 A N 1.139 123.937 122.820 -0.037 0.000 1.892 185 A HA -0.207 4.117 4.320 0.007 0.000 0.218 185 A C 2.121 179.706 177.584 0.003 0.000 1.188 185 A CA 1.364 53.405 52.037 0.006 0.000 0.631 185 A CB -0.799 18.226 19.000 0.041 0.000 0.822 185 A HN 0.642 nan 8.150 nan 0.000 0.447 186 I N 0.119 120.683 120.570 -0.011 0.000 2.546 186 I HA -0.099 4.075 4.170 0.007 0.000 0.255 186 I C 2.501 178.676 176.117 0.097 0.000 1.163 186 I CA 1.353 62.686 61.300 0.055 0.000 1.457 186 I CB -1.440 36.608 38.000 0.080 0.000 1.092 186 I HN 0.217 nan 8.210 nan 0.000 0.434 187 S N 0.680 116.415 115.700 0.059 0.000 2.356 187 S HA -0.115 4.359 4.470 0.007 0.000 0.223 187 S C 2.287 176.941 174.600 0.089 0.000 1.032 187 S CA 1.151 59.397 58.200 0.077 0.000 1.005 187 S CB -0.293 62.927 63.200 0.033 0.000 0.867 187 S HN 0.252 nan 8.310 nan 0.000 0.449 188 V N 2.296 122.243 119.914 0.057 0.000 2.282 188 V HA -0.266 3.858 4.120 0.007 0.000 0.249 188 V C 2.673 178.817 176.094 0.083 0.000 1.057 188 V CA 1.799 64.134 62.300 0.058 0.000 1.032 188 V CB -1.337 30.501 31.823 0.025 0.000 0.645 188 V HN 0.555 nan 8.190 nan 0.000 0.447 189 A N 0.369 123.242 122.820 0.089 0.000 1.940 189 A HA -0.195 4.130 4.320 0.007 0.000 0.219 189 A C 2.129 179.777 177.584 0.107 0.000 1.176 189 A CA 2.366 54.465 52.037 0.105 0.000 0.631 189 A CB -0.543 18.549 19.000 0.153 0.000 0.814 189 A HN 0.777 nan 8.150 nan 0.000 0.446 190 I N -5.673 115.007 120.570 0.183 0.000 3.790 190 I HA 0.138 4.312 4.170 0.007 0.000 0.305 190 I C 2.136 178.463 176.117 0.350 0.000 1.253 190 I CA 0.527 62.007 61.300 0.301 0.000 1.355 190 I CB -0.160 38.082 38.000 0.403 0.000 1.137 190 I HN 0.118 nan 8.210 nan 0.000 0.435 191 M N 0.943 120.704 119.600 0.267 0.000 2.248 191 M HA 0.029 4.513 4.480 0.007 0.000 0.265 191 M C 2.289 178.772 176.300 0.305 0.000 1.079 191 M CA 1.489 56.971 55.300 0.303 0.000 1.150 191 M CB -0.304 32.432 32.600 0.227 0.000 1.366 191 M HN 0.331 nan 8.290 nan 0.000 0.433 192 L N 0.946 122.301 121.223 0.220 0.000 2.027 192 L HA -0.109 4.235 4.340 0.007 0.000 0.206 192 L C 2.630 179.657 176.870 0.261 0.000 1.074 192 L CA 2.270 57.263 54.840 0.255 0.000 0.745 192 L CB -0.891 41.270 42.059 0.171 0.000 0.898 192 L HN 0.426 nan 8.230 nan 0.000 0.433 193 T N -3.310 111.302 114.554 0.096 0.000 2.915 193 T HA -0.103 4.252 4.350 0.007 0.000 0.269 193 T C 0.926 175.598 174.700 -0.048 0.000 1.071 193 T CA 0.903 62.967 62.100 -0.060 0.000 1.132 193 T CB -0.613 68.052 68.868 -0.338 0.000 0.878 193 T HN 0.194 nan 8.240 nan 0.000 0.479 194 F N 1.980 122.134 119.950 0.340 0.000 2.923 194 F HA 0.536 5.068 4.527 0.007 0.000 0.314 194 F C 1.537 177.648 175.800 0.519 0.000 1.196 194 F CA -0.996 57.289 58.000 0.476 0.000 1.320 194 F CB 0.178 39.438 39.000 0.433 0.000 0.953 194 F HN 0.408 nan 8.300 nan 0.000 0.505 195 S N -1.902 114.093 115.700 0.492 0.000 3.916 195 S HA 0.075 4.550 4.470 0.007 0.000 0.231 195 S C 1.202 176.034 174.600 0.387 0.000 1.161 195 S CA -0.038 58.458 58.200 0.493 0.000 0.938 195 S CB -0.554 63.031 63.200 0.641 0.000 1.170 195 S HN 0.123 nan 8.310 nan 0.000 0.508 196 F N 2.566 122.705 119.950 0.315 0.000 2.222 196 F HA 0.466 4.997 4.527 0.007 0.000 0.285 196 F C 2.344 178.172 175.800 0.047 0.000 1.068 196 F CA 1.443 59.587 58.000 0.240 0.000 1.265 196 F CB -0.114 39.179 39.000 0.488 0.000 1.087 196 F HN 0.181 nan 8.300 nan 0.000 0.511 197 E N -0.584 119.672 120.200 0.093 0.000 2.106 197 E HA -0.152 4.202 4.350 0.007 0.000 0.192 197 E C 1.667 178.155 176.600 -0.186 0.000 0.984 197 E CA 1.791 58.140 56.400 -0.086 0.000 0.806 197 E CB -0.310 29.466 29.700 0.127 0.000 0.750 197 E HN 0.479 nan 8.360 nan 0.000 0.458 198 T N -2.931 111.576 114.554 -0.079 0.000 3.069 198 T HA 0.281 4.635 4.350 0.007 0.000 0.252 198 T C 1.006 175.572 174.700 -0.223 0.000 1.053 198 T CA 0.113 62.207 62.100 -0.010 0.000 0.964 198 T CB 0.942 69.983 68.868 0.288 0.000 1.005 198 T HN 0.119 nan 8.240 nan 0.000 0.532 199 G N 0.801 109.244 108.800 -0.596 0.000 2.560 199 G HA2 0.383 4.347 3.960 0.007 0.000 0.212 199 G HA3 0.383 4.347 3.960 0.007 0.000 0.212 199 G C 0.446 174.845 174.900 -0.836 0.000 2.038 199 G CA -0.476 43.939 45.100 -1.141 0.000 0.728 199 G HN 0.244 nan 8.290 nan 0.000 0.784 200 F N 2.218 121.811 119.950 -0.594 0.000 2.407 200 F HA 0.182 4.713 4.527 0.007 0.000 0.299 200 F C 2.943 178.206 175.800 -0.897 0.000 1.097 200 F CA 0.843 58.439 58.000 -0.673 0.000 1.422 200 F CB -0.000 38.526 39.000 -0.789 0.000 1.067 200 F HN 0.232 nan 8.300 nan 0.000 0.539 201 A N 0.276 122.500 122.820 -0.994 0.000 1.978 201 A HA -0.216 4.108 4.320 0.007 0.000 0.220 201 A C 2.151 179.426 177.584 -0.515 0.000 1.170 201 A CA 1.853 53.323 52.037 -0.944 0.000 0.636 201 A CB -0.654 17.508 19.000 -1.397 0.000 0.810 201 A HN 0.321 nan 8.150 nan 0.000 0.448 202 N N -0.427 117.873 118.700 -0.667 0.000 2.244 202 N HA -0.106 4.638 4.740 0.007 0.000 0.183 202 N C 1.669 176.535 175.510 -1.073 0.000 1.016 202 N CA 1.370 53.843 53.050 -0.962 0.000 0.866 202 N CB -0.344 37.434 38.487 -1.180 0.000 0.980 202 N HN 0.408 nan 8.380 nan 0.000 0.430 203 M N 0.381 119.556 119.600 -0.708 0.000 2.077 203 M HA -0.130 4.354 4.480 0.007 0.000 0.261 203 M C 2.134 178.266 176.300 -0.281 0.000 1.070 203 M CA 1.427 56.459 55.300 -0.446 0.000 1.125 203 M CB -0.991 31.560 32.600 -0.083 0.000 1.339 203 M HN 0.083 nan 8.290 nan 0.000 0.409 204 Q N -0.312 119.412 119.800 -0.127 0.000 2.245 204 Q HA -0.029 4.315 4.340 0.007 0.000 0.201 204 Q C 1.337 177.200 176.000 -0.227 0.000 0.955 204 Q CA 1.549 57.337 55.803 -0.025 0.000 0.870 204 Q CB 0.024 28.895 28.738 0.221 0.000 0.945 204 Q HN 0.427 nan 8.270 nan 0.000 0.461 205 F N -1.764 118.043 119.950 -0.237 0.000 2.717 205 F HA 0.288 4.820 4.527 0.008 0.000 0.297 205 F C 1.322 176.919 175.800 -0.339 0.000 1.113 205 F CA 0.136 57.971 58.000 -0.274 0.000 1.319 205 F CB 0.560 39.402 39.000 -0.263 0.000 1.097 205 F HN -0.002 nan 8.300 nan 0.000 0.595 206 L N -1.760 119.290 121.223 -0.289 0.000 2.586 206 L HA 0.300 4.644 4.340 0.007 0.000 0.204 206 L C 2.575 179.297 176.870 -0.248 0.000 1.053 206 L CA 0.794 55.472 54.840 -0.270 0.000 0.856 206 L CB -1.011 40.808 42.059 -0.401 0.000 1.192 206 L HN 0.091 nan 8.230 nan 0.000 0.484 207 G N 0.902 109.391 108.800 -0.518 0.000 2.529 207 G HA2 -0.319 3.645 3.960 0.007 0.000 0.219 207 G HA3 -0.319 3.645 3.960 0.007 0.000 0.219 207 G C 1.458 176.059 174.900 -0.499 0.000 1.177 207 G CA 1.086 45.674 45.100 -0.854 0.000 0.773 207 G HN 0.153 nan 8.290 nan 0.000 0.573 208 L N 1.412 122.474 121.223 -0.269 0.000 2.191 208 L HA 0.170 4.515 4.340 0.007 0.000 0.212 208 L C 3.030 179.946 176.870 0.077 0.000 1.103 208 L CA 1.747 56.574 54.840 -0.022 0.000 0.769 208 L CB -0.712 41.347 42.059 0.001 0.000 0.908 208 L HN 0.271 nan 8.230 nan 0.000 0.438 209 A N -0.797 121.999 122.820 -0.040 0.000 1.930 209 A HA -0.064 4.261 4.320 0.007 0.000 0.217 209 A C 2.469 180.095 177.584 0.071 0.000 1.175 209 A CA 1.515 53.552 52.037 -0.001 0.000 0.627 209 A CB -0.934 18.033 19.000 -0.056 0.000 0.815 209 A HN 0.501 nan 8.150 nan 0.000 0.443 210 A N 0.280 123.161 122.820 0.102 0.000 1.877 210 A HA -0.204 4.121 4.320 0.007 0.000 0.216 210 A C 1.759 179.424 177.584 0.135 0.000 1.186 210 A CA 1.996 54.140 52.037 0.178 0.000 0.620 210 A CB -0.633 18.580 19.000 0.355 0.000 0.822 210 A HN 0.445 nan 8.150 nan 0.000 0.443 211 D N -0.017 120.474 120.400 0.152 0.000 2.144 211 D HA -0.021 4.623 4.640 0.007 0.000 0.199 211 D C 2.206 178.404 176.300 -0.171 0.000 0.984 211 D CA 1.481 55.523 54.000 0.071 0.000 0.834 211 D CB -0.433 40.489 40.800 0.203 0.000 0.955 211 D HN 0.427 nan 8.370 nan 0.000 0.465 212 A N 0.908 123.689 122.820 -0.065 0.000 1.902 212 A HA -0.029 4.295 4.320 0.007 0.000 0.217 212 A C 2.293 179.648 177.584 -0.382 0.000 1.181 212 A CA 2.124 53.989 52.037 -0.287 0.000 0.623 212 A CB -0.712 18.500 19.000 0.354 0.000 0.818 212 A HN 0.232 nan 8.150 nan 0.000 0.443 213 A N -0.391 122.318 122.820 -0.186 0.000 1.930 213 A HA -0.125 4.199 4.320 0.007 0.000 0.217 213 A C 1.933 179.399 177.584 -0.196 0.000 1.175 213 A CA 1.590 53.516 52.037 -0.186 0.000 0.627 213 A CB -0.387 18.680 19.000 0.113 0.000 0.815 213 A HN 0.475 nan 8.150 nan 0.000 0.443 214 E N 0.075 120.187 120.200 -0.147 0.000 2.077 214 E HA -0.118 4.236 4.350 0.007 0.000 0.193 214 E C 2.093 178.551 176.600 -0.235 0.000 0.989 214 E CA 1.213 57.537 56.400 -0.127 0.000 0.800 214 E CB -0.549 29.100 29.700 -0.084 0.000 0.746 214 E HN 0.567 nan 8.360 nan 0.000 0.452 215 A N 0.267 122.836 122.820 -0.419 0.000 2.239 215 A HA 0.173 4.497 4.320 0.007 0.000 0.209 215 A C 1.711 178.994 177.584 -0.501 0.000 1.171 215 A CA 1.131 52.846 52.037 -0.537 0.000 0.768 215 A CB -0.582 17.810 19.000 -1.014 0.000 0.790 215 A HN 0.308 nan 8.150 nan 0.000 0.478 216 G N -0.500 107.994 108.800 -0.510 0.000 2.155 216 G HA2 -0.276 3.688 3.960 0.007 0.000 0.257 216 G HA3 -0.276 3.688 3.960 0.007 0.000 0.257 216 G C 0.103 174.613 174.900 -0.649 0.000 0.983 216 G CA 0.456 45.216 45.100 -0.566 0.000 0.676 216 G HN 0.586 nan 8.290 nan 0.000 0.528 217 D N -0.099 119.936 120.400 -0.609 0.000 2.563 217 D HA 0.425 5.069 4.640 0.007 0.000 0.222 217 D C 1.223 177.428 176.300 -0.157 0.000 1.145 217 D CA -0.840 53.030 54.000 -0.216 0.000 1.001 217 D CB -0.298 40.565 40.800 0.104 0.000 1.049 217 D HN 0.332 nan 8.370 nan 0.000 0.515 218 Y N 0.507 120.901 120.300 0.156 0.000 2.439 218 Y HA -0.093 4.461 4.550 0.006 0.000 0.292 218 Y C 2.495 178.522 175.900 0.211 0.000 1.130 218 Y CA 0.681 58.872 58.100 0.151 0.000 1.254 218 Y CB -0.337 38.187 38.460 0.105 0.000 1.000 218 Y HN 0.220 nan 8.280 nan 0.000 0.554 219 T N 0.333 115.114 114.554 0.379 0.000 2.708 219 T HA -0.218 4.136 4.350 0.007 0.000 0.266 219 T C 1.641 176.620 174.700 0.465 0.000 1.037 219 T CA 1.621 63.976 62.100 0.425 0.000 1.146 219 T CB -0.606 68.520 68.868 0.430 0.000 0.865 219 T HN 0.293 nan 8.240 nan 0.000 0.435 220 F N 1.970 122.096 119.950 0.292 0.000 2.084 220 F HA 0.110 4.642 4.527 0.008 0.000 0.296 220 F C 2.472 178.335 175.800 0.106 0.000 1.111 220 F CA 0.827 58.953 58.000 0.210 0.000 1.224 220 F CB -0.927 38.225 39.000 0.254 0.000 0.991 220 F HN 0.131 nan 8.300 nan 0.000 0.471 221 A N 0.211 123.122 122.820 0.153 0.000 1.883 221 A HA -0.308 4.016 4.320 0.007 0.000 0.217 221 A C 2.069 179.643 177.584 -0.017 0.000 1.186 221 A CA 2.187 54.230 52.037 0.011 0.000 0.624 221 A CB -1.371 17.692 19.000 0.105 0.000 0.822 221 A HN 0.543 nan 8.150 nan 0.000 0.444 222 N N -0.484 118.270 118.700 0.090 0.000 2.104 222 N HA -0.154 4.591 4.740 0.007 0.000 0.190 222 N C 1.572 177.071 175.510 -0.019 0.000 1.024 222 N CA 1.621 54.714 53.050 0.072 0.000 0.853 222 N CB -0.337 38.238 38.487 0.147 0.000 1.008 222 N HN 0.384 nan 8.380 nan 0.000 0.424 223 L N 0.946 122.128 121.223 -0.069 0.000 2.017 223 L HA -0.021 4.323 4.340 0.007 0.000 0.208 223 L C 1.959 178.681 176.870 -0.247 0.000 1.073 223 L CA 1.567 56.267 54.840 -0.233 0.000 0.745 223 L CB -0.652 41.140 42.059 -0.445 0.000 0.894 223 L HN 0.461 nan 8.230 nan 0.000 0.432 224 I N -2.700 117.669 120.570 -0.336 0.000 2.617 224 I HA -0.051 4.124 4.170 0.007 0.000 0.256 224 I C 2.296 178.366 176.117 -0.079 0.000 1.167 224 I CA 1.112 62.286 61.300 -0.210 0.000 1.469 224 I CB -0.826 36.838 38.000 -0.561 0.000 1.098 224 I HN 0.368 nan 8.210 nan 0.000 0.436 225 S N 0.573 116.203 115.700 -0.116 0.000 2.406 225 S HA -0.156 4.319 4.470 0.007 0.000 0.228 225 S C 2.157 176.713 174.600 -0.074 0.000 1.020 225 S CA 1.205 59.363 58.200 -0.070 0.000 0.965 225 S CB -0.592 62.592 63.200 -0.027 0.000 0.798 225 S HN 0.566 nan 8.310 nan 0.000 0.488 226 S N 1.724 117.377 115.700 -0.077 0.000 2.356 226 S HA -0.012 4.462 4.470 0.007 0.000 0.223 226 S C 1.799 176.332 174.600 -0.112 0.000 1.032 226 S CA 1.225 59.382 58.200 -0.072 0.000 1.005 226 S CB -0.728 62.437 63.200 -0.058 0.000 0.867 226 S HN 0.593 nan 8.310 nan 0.000 0.449 227 I N 1.129 121.588 120.570 -0.185 0.000 2.194 227 I HA -0.230 3.944 4.170 0.007 0.000 0.246 227 I C 2.774 178.644 176.117 -0.412 0.000 1.093 227 I CA 1.765 62.821 61.300 -0.405 0.000 1.355 227 I CB -0.348 37.361 38.000 -0.486 0.000 1.046 227 I HN 0.377 nan 8.210 nan 0.000 0.413 228 Q N 0.457 120.066 119.800 -0.319 0.000 2.297 228 Q HA -0.156 4.188 4.340 0.007 0.000 0.204 228 Q C 2.131 178.008 176.000 -0.205 0.000 0.962 228 Q CA 1.955 57.566 55.803 -0.320 0.000 0.879 228 Q CB -0.376 28.207 28.738 -0.258 0.000 0.947 228 Q HN 0.652 nan 8.270 nan 0.000 0.462 229 T N -2.228 112.247 114.554 -0.132 0.000 2.833 229 T HA -0.144 4.211 4.350 0.007 0.000 0.269 229 T C 1.193 175.816 174.700 -0.129 0.000 1.054 229 T CA 1.383 63.433 62.100 -0.083 0.000 1.135 229 T CB -0.265 68.583 68.868 -0.033 0.000 0.869 229 T HN 0.210 nan 8.240 nan 0.000 0.466 230 D N 1.281 121.621 120.400 -0.100 0.000 2.097 230 D HA -0.062 4.583 4.640 0.007 0.000 0.197 230 D C 2.116 178.171 176.300 -0.408 0.000 0.984 230 D CA 1.434 55.380 54.000 -0.090 0.000 0.826 230 D CB -0.423 40.512 40.800 0.225 0.000 0.973 230 D HN 0.596 nan 8.370 nan 0.000 0.460 231 E N 0.896 120.816 120.200 -0.466 0.000 2.085 231 E HA -0.134 4.220 4.350 0.007 0.000 0.194 231 E C 1.971 178.270 176.600 -0.502 0.000 0.994 231 E CA 1.303 57.249 56.400 -0.757 0.000 0.801 231 E CB 0.048 29.504 29.700 -0.407 0.000 0.743 231 E HN -0.040 nan 8.360 nan 0.000 0.453 232 S N 0.011 115.530 115.700 -0.302 0.000 2.420 232 S HA -0.224 4.251 4.470 0.007 0.000 0.237 232 S C 1.795 176.240 174.600 -0.259 0.000 1.023 232 S CA 1.419 59.527 58.200 -0.152 0.000 0.991 232 S CB -0.287 62.908 63.200 -0.009 0.000 0.792 232 S HN 0.304 nan 8.310 nan 0.000 0.488 233 R N 1.138 121.298 120.500 -0.567 0.000 2.057 233 R HA -0.022 4.322 4.340 0.007 0.000 0.224 233 R C 2.363 178.473 176.300 -0.317 0.000 1.136 233 R CA 1.331 56.884 56.100 -0.912 0.000 0.968 233 R CB -0.418 29.284 30.300 -0.996 0.000 0.863 233 R HN 0.726 nan 8.270 nan 0.000 0.433 234 H N -1.564 117.423 119.070 -0.138 0.000 2.535 234 H HA 0.229 4.789 4.556 0.007 0.000 0.273 234 H C 1.469 176.797 175.328 0.001 0.000 0.983 234 H CA 0.534 56.567 56.048 -0.025 0.000 1.238 234 H CB 0.165 29.935 29.762 0.013 0.000 1.412 234 H HN 0.323 nan 8.280 nan 0.000 0.562 235 A N 1.509 124.368 122.820 0.065 0.000 2.067 235 A HA -0.106 4.218 4.320 0.007 0.000 0.219 235 A C 2.081 179.685 177.584 0.032 0.000 1.158 235 A CA 0.636 52.712 52.037 0.065 0.000 0.661 235 A CB -0.190 18.807 19.000 -0.006 0.000 0.801 235 A HN 0.279 nan 8.150 nan 0.000 0.452 236 Q N -0.041 119.802 119.800 0.072 0.000 2.515 236 Q HA -0.084 4.260 4.340 0.007 0.000 0.212 236 Q C 1.443 177.516 176.000 0.121 0.000 0.970 236 Q CA 0.681 56.552 55.803 0.113 0.000 0.941 236 Q CB -0.258 28.593 28.738 0.189 0.000 0.998 236 Q HN 0.807 nan 8.270 nan 0.000 0.518 237 Q N -1.043 118.845 119.800 0.147 0.000 2.369 237 Q HA -0.050 4.294 4.340 0.007 0.000 0.206 237 Q C 1.854 177.969 176.000 0.191 0.000 0.963 237 Q CA 0.957 56.907 55.803 0.245 0.000 0.894 237 Q CB 0.022 28.910 28.738 0.250 0.000 0.965 237 Q HN 0.419 nan 8.270 nan 0.000 0.475 238 G N 0.714 109.514 108.800 0.001 0.000 2.414 238 G HA2 -0.201 3.763 3.960 0.007 0.000 0.215 238 G HA3 -0.201 3.763 3.960 0.007 0.000 0.215 238 G C 1.352 176.363 174.900 0.184 0.000 1.188 238 G CA 0.663 45.692 45.100 -0.118 0.000 0.783 238 G HN 0.454 nan 8.290 nan 0.000 0.537 239 G N 1.822 110.780 108.800 0.263 0.000 2.529 239 G HA2 -0.173 3.791 3.960 0.007 0.000 0.219 239 G HA3 -0.173 3.791 3.960 0.007 0.000 0.219 239 G C 0.233 175.223 174.900 0.150 0.000 1.177 239 G CA 1.457 46.762 45.100 0.342 0.000 0.773 239 G HN 0.471 nan 8.290 nan 0.000 0.573 240 P HA 0.053 nan 4.420 nan 0.000 0.219 240 P C 2.030 179.352 177.300 0.036 0.000 1.150 240 P CA 1.694 64.677 63.100 -0.195 0.000 0.814 240 P CB -0.133 31.075 31.700 -0.821 0.000 0.787 241 A N 0.086 123.069 122.820 0.273 0.000 1.873 241 A HA -0.163 4.162 4.320 0.007 0.000 0.215 241 A C 2.176 179.943 177.584 0.306 0.000 1.186 241 A CA 1.496 53.807 52.037 0.458 0.000 0.616 241 A CB -1.659 17.638 19.000 0.495 0.000 0.823 241 A HN 0.164 nan 8.150 nan 0.000 0.442 242 L N 0.024 121.422 121.223 0.291 0.000 2.017 242 L HA -0.226 4.119 4.340 0.007 0.000 0.208 242 L C 2.572 179.512 176.870 0.117 0.000 1.073 242 L CA 2.779 57.760 54.840 0.235 0.000 0.745 242 L CB -0.849 41.386 42.059 0.293 0.000 0.894 242 L HN 0.633 nan 8.230 nan 0.000 0.432 243 Q N -0.680 119.171 119.800 0.086 0.000 2.077 243 Q HA -0.261 4.084 4.340 0.007 0.000 0.206 243 Q C 2.321 178.313 176.000 -0.013 0.000 0.989 243 Q CA 2.423 58.238 55.803 0.020 0.000 0.853 243 Q CB -0.338 28.400 28.738 -0.001 0.000 0.907 243 Q HN 0.624 nan 8.270 nan 0.000 0.418 244 L N 0.252 121.464 121.223 -0.019 0.000 2.083 244 L HA -0.208 4.137 4.340 0.007 0.000 0.209 244 L C 2.388 179.169 176.870 -0.148 0.000 1.083 244 L CA 0.841 55.598 54.840 -0.138 0.000 0.752 244 L CB -0.208 41.693 42.059 -0.263 0.000 0.899 244 L HN 0.342 nan 8.230 nan 0.000 0.433 245 L N -0.821 120.384 121.223 -0.030 0.000 2.027 245 L HA -0.241 4.103 4.340 0.007 0.000 0.206 245 L C 2.414 179.278 176.870 -0.010 0.000 1.074 245 L CA 1.385 56.231 54.840 0.009 0.000 0.745 245 L CB -0.382 41.742 42.059 0.108 0.000 0.898 245 L HN 0.222 nan 8.230 nan 0.000 0.433 246 I N -0.210 120.358 120.570 -0.004 0.000 2.252 246 I HA -0.259 3.916 4.170 0.007 0.000 0.245 246 I C 2.238 178.333 176.117 -0.036 0.000 1.102 246 I CA 1.308 62.600 61.300 -0.013 0.000 1.385 246 I CB -0.243 37.749 38.000 -0.014 0.000 1.064 246 I HN 0.266 nan 8.210 nan 0.000 0.414 247 E N 0.494 120.660 120.200 -0.056 0.000 2.338 247 E HA -0.102 4.252 4.350 0.007 0.000 0.197 247 E C 0.834 177.389 176.600 -0.076 0.000 1.007 247 E CA 0.523 56.884 56.400 -0.066 0.000 0.849 247 E CB -0.064 29.588 29.700 -0.079 0.000 0.774 247 E HN 0.456 nan 8.360 nan 0.000 0.506 248 N N -0.255 118.393 118.700 -0.087 0.000 2.328 248 N HA 0.072 4.816 4.740 0.007 0.000 0.247 248 N C 0.379 175.863 175.510 -0.044 0.000 1.165 248 N CA 0.545 53.542 53.050 -0.088 0.000 0.873 248 N CB 1.584 39.979 38.487 -0.154 0.000 1.125 248 N HN 0.224 nan 8.380 nan 0.000 0.513 249 G N 1.479 110.261 108.800 -0.030 0.000 2.159 249 G HA2 -0.236 3.728 3.960 0.007 0.000 0.256 249 G HA3 -0.236 3.728 3.960 0.007 0.000 0.256 249 G C 0.666 175.569 174.900 0.005 0.000 0.977 249 G CA 0.007 45.100 45.100 -0.012 0.000 0.652 249 G HN 0.186 nan 8.290 nan 0.000 0.531 250 K N 0.190 120.597 120.400 0.011 0.000 2.498 250 K HA 0.272 4.596 4.320 0.007 0.000 0.207 250 K C 1.814 178.439 176.600 0.041 0.000 1.033 250 K CA 0.016 56.324 56.287 0.034 0.000 1.138 250 K CB 0.348 32.882 32.500 0.056 0.000 0.860 250 K HN 0.583 nan 8.250 nan 0.000 0.490 251 R N 1.850 122.365 120.500 0.025 0.000 2.091 251 R HA -0.169 4.175 4.340 0.007 0.000 0.238 251 R C 1.710 178.034 176.300 0.041 0.000 1.136 251 R CA 1.810 57.925 56.100 0.026 0.000 0.959 251 R CB 0.088 30.391 30.300 0.006 0.000 0.856 251 R HN 0.304 nan 8.270 nan 0.000 0.437 252 E N 0.256 120.480 120.200 0.041 0.000 2.077 252 E HA -0.189 4.165 4.350 0.007 0.000 0.193 252 E C 1.575 178.224 176.600 0.081 0.000 0.989 252 E CA 1.568 58.001 56.400 0.054 0.000 0.800 252 E CB 0.085 29.811 29.700 0.042 0.000 0.746 252 E HN 0.480 nan 8.360 nan 0.000 0.452 253 E N 0.455 120.699 120.200 0.074 0.000 2.208 253 E HA -0.107 4.247 4.350 0.007 0.000 0.193 253 E C 1.843 178.510 176.600 0.113 0.000 0.988 253 E CA 0.960 57.411 56.400 0.086 0.000 0.828 253 E CB -0.349 29.390 29.700 0.065 0.000 0.763 253 E HN 0.337 nan 8.360 nan 0.000 0.478 254 A N 1.404 124.290 122.820 0.110 0.000 1.897 254 A HA -0.193 4.131 4.320 0.007 0.000 0.215 254 A C 2.289 179.958 177.584 0.142 0.000 1.181 254 A CA 1.574 53.691 52.037 0.133 0.000 0.620 254 A CB -0.497 18.575 19.000 0.120 0.000 0.821 254 A HN 0.229 nan 8.150 nan 0.000 0.443 255 Q N 0.408 120.276 119.800 0.113 0.000 2.077 255 Q HA -0.229 4.115 4.340 0.007 0.000 0.206 255 Q C 2.052 178.181 176.000 0.215 0.000 0.989 255 Q CA 2.508 58.383 55.803 0.119 0.000 0.853 255 Q CB -0.310 28.479 28.738 0.086 0.000 0.907 255 Q HN 0.647 nan 8.270 nan 0.000 0.418 256 K N -0.099 120.451 120.400 0.250 0.000 2.009 256 K HA -0.214 4.111 4.320 0.007 0.000 0.210 256 K C 2.007 178.827 176.600 0.368 0.000 1.049 256 K CA 1.733 58.244 56.287 0.373 0.000 0.929 256 K CB -0.084 32.569 32.500 0.254 0.000 0.714 256 K HN 0.144 nan 8.250 nan 0.000 0.440 257 K N 0.166 120.720 120.400 0.256 0.000 2.032 257 K HA -0.128 4.197 4.320 0.007 0.000 0.209 257 K C 2.098 178.890 176.600 0.321 0.000 1.048 257 K CA 1.634 58.072 56.287 0.252 0.000 0.927 257 K CB -0.140 32.482 32.500 0.203 0.000 0.712 257 K HN 0.017 nan 8.250 nan 0.000 0.441 258 V N 2.048 122.150 119.914 0.313 0.000 2.295 258 V HA -0.246 3.878 4.120 0.007 0.000 0.246 258 V C 1.701 178.029 176.094 0.390 0.000 1.049 258 V CA 1.890 64.399 62.300 0.349 0.000 1.024 258 V CB -0.487 31.482 31.823 0.245 0.000 0.648 258 V HN 0.272 nan 8.190 nan 0.000 0.447 259 D N -0.322 120.301 120.400 0.371 0.000 2.106 259 D HA -0.237 4.407 4.640 0.007 0.000 0.191 259 D C 2.132 178.837 176.300 0.674 0.000 0.997 259 D CA 1.698 55.963 54.000 0.443 0.000 0.834 259 D CB -0.318 40.727 40.800 0.407 0.000 0.956 259 D HN 0.328 nan 8.370 nan 0.000 0.448 260 M N 0.542 120.556 119.600 0.690 0.000 2.163 260 M HA -0.267 4.217 4.480 0.007 0.000 0.258 260 M C 2.232 178.857 176.300 0.542 0.000 1.071 260 M CA 2.304 57.975 55.300 0.618 0.000 1.093 260 M CB -0.233 32.606 32.600 0.399 0.000 1.285 260 M HN 0.053 nan 8.290 nan 0.000 0.420 261 A N -0.175 122.937 122.820 0.486 0.000 1.933 261 A HA -0.148 4.177 4.320 0.007 0.000 0.218 261 A C 2.042 179.972 177.584 0.576 0.000 1.175 261 A CA 1.634 53.972 52.037 0.502 0.000 0.628 261 A CB -1.028 18.242 19.000 0.451 0.000 0.814 261 A HN 0.547 nan 8.150 nan 0.000 0.444 262 I N -1.920 118.993 120.570 0.571 0.000 2.179 262 I HA -0.269 3.906 4.170 0.007 0.000 0.242 262 I C 2.554 178.931 176.117 0.433 0.000 1.088 262 I CA 1.328 62.975 61.300 0.577 0.000 1.357 262 I CB -0.377 37.980 38.000 0.595 0.000 1.051 262 I HN 0.690 nan 8.210 nan 0.000 0.409 263 W N 2.617 124.035 121.300 0.197 0.000 2.335 263 W HA -0.219 4.446 4.660 0.008 0.000 0.311 263 W C 2.676 179.281 176.519 0.142 0.000 1.213 263 W CA 1.580 58.928 57.345 0.006 0.000 1.274 263 W CB -0.247 29.078 29.460 -0.224 0.000 1.148 263 W HN 0.107 nan 8.180 nan 0.000 0.498 264 R N 0.160 120.893 120.500 0.388 0.000 2.083 264 R HA -0.171 4.173 4.340 0.007 0.000 0.237 264 R C 2.383 178.667 176.300 -0.027 0.000 1.137 264 R CA 1.769 58.059 56.100 0.316 0.000 0.951 264 R CB -1.192 29.453 30.300 0.574 0.000 0.851 264 R HN 0.173 nan 8.270 nan 0.000 0.434 265 A N 1.464 124.273 122.820 -0.018 0.000 1.902 265 A HA -0.198 4.126 4.320 0.007 0.000 0.217 265 A C 1.957 179.119 177.584 -0.703 0.000 1.181 265 A CA 1.157 52.892 52.037 -0.503 0.000 0.623 265 A CB -1.110 17.942 19.000 0.086 0.000 0.818 265 A HN 0.695 nan 8.150 nan 0.000 0.443 266 W N 0.820 121.564 121.300 -0.926 0.000 2.318 266 W HA -0.245 4.419 4.660 0.007 0.000 0.313 266 W C 2.036 178.231 176.519 -0.540 0.000 1.221 266 W CA 1.797 58.570 57.345 -0.953 0.000 1.266 266 W CB -0.177 28.943 29.460 -0.567 0.000 1.150 266 W HN 0.238 nan 8.180 nan 0.000 0.496 267 R N 0.470 120.494 120.500 -0.792 0.000 2.073 267 R HA -0.147 4.197 4.340 0.007 0.000 0.229 267 R C 2.227 178.255 176.300 -0.452 0.000 1.120 267 R CA 1.333 57.022 56.100 -0.685 0.000 0.967 267 R CB -1.514 28.588 30.300 -0.330 0.000 0.862 267 R HN 0.348 nan 8.270 nan 0.000 0.436 268 L N 0.234 121.160 121.223 -0.496 0.000 2.017 268 L HA -0.069 4.276 4.340 0.007 0.000 0.208 268 L C 1.939 178.429 176.870 -0.635 0.000 1.073 268 L CA 1.716 56.208 54.840 -0.579 0.000 0.745 268 L CB -0.554 41.020 42.059 -0.809 0.000 0.894 268 L HN -0.047 nan 8.230 nan 0.000 0.432 269 F N -0.223 119.453 119.950 -0.457 0.000 2.502 269 F HA 0.029 4.560 4.527 0.007 0.000 0.298 269 F C 2.419 178.111 175.800 -0.179 0.000 1.111 269 F CA 0.780 58.645 58.000 -0.224 0.000 1.445 269 F CB -0.909 38.036 39.000 -0.091 0.000 1.081 269 F HN 0.198 nan 8.300 nan 0.000 0.558 270 A N -0.602 122.036 122.820 -0.302 0.000 1.972 270 A HA -0.134 4.191 4.320 0.007 0.000 0.219 270 A C 2.353 179.870 177.584 -0.112 0.000 1.169 270 A CA 1.792 53.608 52.037 -0.367 0.000 0.635 270 A CB -1.021 17.426 19.000 -0.923 0.000 0.810 270 A HN 0.247 nan 8.150 nan 0.000 0.446 271 V N -0.629 119.245 119.914 -0.067 0.000 2.725 271 V HA -0.008 4.117 4.120 0.007 0.000 0.247 271 V C 2.171 178.169 176.094 -0.161 0.000 1.058 271 V CA 1.428 63.688 62.300 -0.067 0.000 1.080 271 V CB -0.154 31.495 31.823 -0.290 0.000 0.713 271 V HN 0.566 nan 8.190 nan 0.000 0.465 272 L N -0.710 120.364 121.223 -0.249 0.000 2.168 272 L HA 0.003 4.347 4.340 0.007 0.000 0.203 272 L C 2.359 179.104 176.870 -0.209 0.000 1.078 272 L CA 1.748 56.419 54.840 -0.282 0.000 0.780 272 L CB -0.550 41.303 42.059 -0.343 0.000 0.939 272 L HN 0.320 nan 8.230 nan 0.000 0.451 273 T N -1.210 113.284 114.554 -0.100 0.000 3.033 273 T HA 0.070 4.425 4.350 0.007 0.000 0.248 273 T C 1.842 176.374 174.700 -0.281 0.000 1.040 273 T CA 0.663 62.744 62.100 -0.031 0.000 1.133 273 T CB -0.092 68.963 68.868 0.312 0.000 0.895 273 T HN 0.376 nan 8.240 nan 0.000 0.465 274 G N 2.846 111.230 108.800 -0.692 0.000 2.446 274 G HA2 -0.130 3.835 3.960 0.007 0.000 0.217 274 G HA3 -0.130 3.835 3.960 0.007 0.000 0.217 274 G C -0.760 173.888 174.900 -0.419 0.000 1.168 274 G CA 0.631 44.922 45.100 -1.347 0.000 0.771 274 G HN 0.402 nan 8.290 nan 0.000 0.551 275 P HA 0.008 nan 4.420 nan 0.000 0.219 275 P C 2.114 179.010 177.300 -0.672 0.000 1.150 275 P CA 0.443 63.339 63.100 -0.340 0.000 0.814 275 P CB -0.040 31.448 31.700 -0.353 0.000 0.787 276 V N -0.605 118.925 119.914 -0.640 0.000 2.261 276 V HA -0.253 3.871 4.120 0.007 0.000 0.246 276 V C 2.420 178.455 176.094 -0.097 0.000 1.047 276 V CA 2.008 64.072 62.300 -0.393 0.000 1.015 276 V CB -1.077 30.618 31.823 -0.214 0.000 0.642 276 V HN 0.095 nan 8.190 nan 0.000 0.446 277 M N -0.729 118.859 119.600 -0.019 0.000 2.288 277 M HA -0.084 4.401 4.480 0.007 0.000 0.266 277 M C 1.456 177.835 176.300 0.131 0.000 1.072 277 M CA 1.443 56.837 55.300 0.157 0.000 1.132 277 M CB -0.305 32.508 32.600 0.355 0.000 1.386 277 M HN 0.285 nan 8.290 nan 0.000 0.432 278 D N -1.669 118.763 120.400 0.053 0.000 2.392 278 D HA 0.046 4.690 4.640 0.007 0.000 0.206 278 D C 0.960 176.938 176.300 -0.536 0.000 1.046 278 D CA 0.898 54.886 54.000 -0.020 0.000 0.865 278 D CB 0.429 41.269 40.800 0.068 0.000 0.969 278 D HN 0.305 nan 8.370 nan 0.000 0.509 279 Y N -1.733 118.448 120.300 -0.200 0.000 2.846 279 Y HA 0.182 4.736 4.550 0.006 0.000 0.258 279 Y C 1.784 177.714 175.900 0.050 0.000 1.077 279 Y CA -0.124 57.834 58.100 -0.237 0.000 1.270 279 Y CB -0.023 38.056 38.460 -0.635 0.000 1.476 279 Y HN -0.069 nan 8.280 nan 0.000 0.460 280 Y N 0.076 120.430 120.300 0.090 0.000 2.220 280 Y HA -0.050 4.504 4.550 0.006 0.000 0.291 280 Y C 0.867 176.829 175.900 0.103 0.000 1.129 280 Y CA 0.585 58.746 58.100 0.102 0.000 1.161 280 Y CB -0.383 38.123 38.460 0.078 0.000 0.997 280 Y HN -0.148 nan 8.280 nan 0.000 0.522 281 T N 4.071 118.784 114.554 0.265 0.000 2.902 281 T HA 0.054 4.408 4.350 0.007 0.000 0.301 281 T C -2.342 172.393 174.700 0.058 0.000 1.012 281 T CA -1.045 61.196 62.100 0.235 0.000 1.151 281 T CB 0.644 69.635 68.868 0.205 0.000 0.946 281 T HN -0.055 nan 8.240 nan 0.000 0.542 282 P HA 0.067 nan 4.420 nan 0.000 0.269 282 P C 0.983 178.176 177.300 -0.180 0.000 1.215 282 P CA -0.508 62.562 63.100 -0.050 0.000 0.780 282 P CB 0.469 32.154 31.700 -0.024 0.000 0.898 283 L N 3.415 124.481 121.223 -0.263 0.000 2.043 283 L HA -0.245 4.099 4.340 0.007 0.000 0.212 283 L C 1.624 178.286 176.870 -0.347 0.000 1.075 283 L CA 2.176 56.754 54.840 -0.437 0.000 0.752 283 L CB -1.296 40.519 42.059 -0.407 0.000 0.891 283 L HN 0.281 nan 8.230 nan 0.000 0.432 284 E N -0.465 119.610 120.200 -0.209 0.000 2.265 284 E HA -0.153 4.201 4.350 0.007 0.000 0.196 284 E C 1.331 177.852 176.600 -0.132 0.000 0.996 284 E CA 1.247 57.558 56.400 -0.147 0.000 0.832 284 E CB -0.426 29.213 29.700 -0.101 0.000 0.756 284 E HN 0.555 nan 8.360 nan 0.000 0.491 285 D N 0.419 120.731 120.400 -0.147 0.000 2.328 285 D HA 0.030 4.675 4.640 0.007 0.000 0.221 285 D C -0.157 176.092 176.300 -0.084 0.000 1.072 285 D CA 0.078 54.001 54.000 -0.128 0.000 0.850 285 D CB 0.114 40.806 40.800 -0.180 0.000 0.922 285 D HN 0.080 nan 8.370 nan 0.000 0.516 286 R N 0.864 121.288 120.500 -0.127 0.000 2.248 286 R HA 0.146 4.491 4.340 0.007 0.000 0.337 286 R C 1.353 177.687 176.300 0.056 0.000 1.106 286 R CA -0.093 55.976 56.100 -0.052 0.000 0.959 286 R CB 0.915 31.046 30.300 -0.282 0.000 1.075 286 R HN -0.146 nan 8.270 nan 0.000 0.480 287 S N 2.839 118.625 115.700 0.144 0.000 2.370 287 S HA -0.135 4.339 4.470 0.007 0.000 0.226 287 S C 0.450 175.035 174.600 -0.025 0.000 1.033 287 S CA 1.417 59.684 58.200 0.111 0.000 1.011 287 S CB 0.319 63.678 63.200 0.265 0.000 0.852 287 S HN 0.601 nan 8.310 nan 0.000 0.457 288 Q N -0.058 119.680 119.800 -0.103 0.000 2.511 288 Q HA 0.379 4.724 4.340 0.007 0.000 0.289 288 Q C -1.028 175.009 176.000 0.061 0.000 1.021 288 Q CA -0.658 54.971 55.803 -0.292 0.000 0.785 288 Q CB 2.099 30.257 28.738 -0.968 0.000 1.472 288 Q HN 0.440 nan 8.270 nan 0.000 0.411 289 S N -0.251 115.511 115.700 0.104 0.000 2.593 289 S HA 0.145 4.619 4.470 0.007 0.000 0.269 289 S C 0.750 175.580 174.600 0.382 0.000 1.334 289 S CA -0.517 57.872 58.200 0.314 0.000 1.015 289 S CB 0.382 63.553 63.200 -0.048 0.000 0.912 289 S HN 0.665 nan 8.310 nan 0.000 0.541 290 F N 2.035 122.189 119.950 0.340 0.000 2.085 290 F HA -0.206 4.325 4.527 0.007 0.000 0.299 290 F C 2.396 178.333 175.800 0.228 0.000 1.096 290 F CA 2.381 60.537 58.000 0.260 0.000 1.227 290 F CB -0.417 38.554 39.000 -0.048 0.000 0.983 290 F HN 0.840 nan 8.300 nan 0.000 0.482 291 K N 0.197 120.704 120.400 0.178 0.000 2.097 291 K HA -0.183 4.142 4.320 0.007 0.000 0.205 291 K C 1.944 178.519 176.600 -0.042 0.000 1.050 291 K CA 1.743 58.034 56.287 0.008 0.000 0.938 291 K CB -0.346 32.210 32.500 0.093 0.000 0.718 291 K HN 0.395 nan 8.250 nan 0.000 0.442 292 E N -0.151 119.977 120.200 -0.119 0.000 2.110 292 E HA -0.168 4.186 4.350 0.007 0.000 0.193 292 E C 1.778 178.357 176.600 -0.035 0.000 0.988 292 E CA 1.464 57.767 56.400 -0.162 0.000 0.804 292 E CB -0.164 29.374 29.700 -0.270 0.000 0.745 292 E HN 0.342 nan 8.360 nan 0.000 0.458 293 F N 0.098 120.076 119.950 0.048 0.000 2.146 293 F HA -0.200 4.330 4.527 0.006 0.000 0.298 293 F C 2.427 178.296 175.800 0.115 0.000 1.096 293 F CA 0.397 58.485 58.000 0.146 0.000 1.275 293 F CB 0.015 39.154 39.000 0.233 0.000 1.008 293 F HN 0.041 nan 8.300 nan 0.000 0.480 294 M N -0.940 118.727 119.600 0.112 0.000 2.108 294 M HA -0.264 4.220 4.480 0.007 0.000 0.261 294 M C 2.083 178.389 176.300 0.010 0.000 1.066 294 M CA 1.862 57.136 55.300 -0.043 0.000 1.107 294 M CB -1.407 31.023 32.600 -0.282 0.000 1.356 294 M HN 0.233 nan 8.290 nan 0.000 0.406 295 Y N 0.258 120.489 120.300 -0.114 0.000 2.242 295 Y HA -0.220 4.335 4.550 0.008 0.000 0.291 295 Y C 2.624 178.480 175.900 -0.073 0.000 1.137 295 Y CA 1.560 59.600 58.100 -0.100 0.000 1.181 295 Y CB -0.230 38.155 38.460 -0.126 0.000 0.989 295 Y HN 0.389 nan 8.280 nan 0.000 0.527 296 E N -0.498 119.730 120.200 0.046 0.000 2.015 296 E HA -0.236 4.118 4.350 0.007 0.000 0.191 296 E C 1.649 178.145 176.600 -0.175 0.000 0.991 296 E CA 1.824 58.140 56.400 -0.139 0.000 0.802 296 E CB -0.378 29.157 29.700 -0.274 0.000 0.759 296 E HN 0.511 nan 8.360 nan 0.000 0.447 297 W N -0.067 121.262 121.300 0.049 0.000 2.525 297 W HA 0.095 4.758 4.660 0.006 0.000 0.288 297 W C 2.170 178.679 176.519 -0.017 0.000 1.200 297 W CA -0.377 56.970 57.345 0.003 0.000 1.349 297 W CB 0.198 29.628 29.460 -0.050 0.000 1.102 297 W HN 0.140 nan 8.180 nan 0.000 0.558 298 I N -0.383 120.286 120.570 0.164 0.000 2.556 298 I HA -0.063 4.111 4.170 0.007 0.000 0.251 298 I C 1.964 178.202 176.117 0.201 0.000 1.105 298 I CA 1.260 62.640 61.300 0.132 0.000 1.436 298 I CB -1.327 36.643 38.000 -0.050 0.000 1.139 298 I HN -0.007 nan 8.210 nan 0.000 0.438 299 I N 0.730 121.321 120.570 0.036 0.000 2.339 299 I HA -0.058 4.117 4.170 0.007 0.000 0.245 299 I C 2.600 178.746 176.117 0.049 0.000 1.096 299 I CA 1.336 62.668 61.300 0.053 0.000 1.408 299 I CB -0.749 37.111 38.000 -0.233 0.000 1.092 299 I HN 0.172 nan 8.210 nan 0.000 0.423 300 G N -0.218 108.587 108.800 0.008 0.000 2.394 300 G HA2 -0.218 3.747 3.960 0.007 0.000 0.215 300 G HA3 -0.218 3.747 3.960 0.007 0.000 0.215 300 G C 1.545 176.443 174.900 -0.003 0.000 1.165 300 G CA 0.459 45.553 45.100 -0.010 0.000 0.784 300 G HN 0.354 nan 8.290 nan 0.000 0.535 301 Q N -1.359 118.464 119.800 0.037 0.000 2.252 301 Q HA 0.138 4.483 4.340 0.007 0.000 0.195 301 Q C 2.189 178.280 176.000 0.151 0.000 0.974 301 Q CA 0.110 55.958 55.803 0.076 0.000 0.846 301 Q CB -0.188 28.608 28.738 0.096 0.000 0.943 301 Q HN 0.295 nan 8.270 nan 0.000 0.516 302 F N 1.956 121.944 119.950 0.063 0.000 2.060 302 F HA -0.136 4.395 4.527 0.007 0.000 0.295 302 F C 2.128 177.953 175.800 0.042 0.000 1.120 302 F CA 2.140 60.182 58.000 0.070 0.000 1.205 302 F CB -0.448 38.583 39.000 0.052 0.000 0.986 302 F HN 0.192 nan 8.300 nan 0.000 0.470 303 E N 0.482 120.526 120.200 -0.261 0.000 2.160 303 E HA -0.251 4.103 4.350 0.007 0.000 0.195 303 E C 2.273 178.700 176.600 -0.289 0.000 0.991 303 E CA 1.314 57.486 56.400 -0.380 0.000 0.810 303 E CB -0.342 29.325 29.700 -0.056 0.000 0.742 303 E HN 0.269 nan 8.360 nan 0.000 0.466 304 R N 0.342 120.748 120.500 -0.157 0.000 2.096 304 R HA -0.085 4.259 4.340 0.007 0.000 0.235 304 R C 2.260 178.472 176.300 -0.146 0.000 1.127 304 R CA 1.980 57.998 56.100 -0.138 0.000 0.968 304 R CB -0.927 29.328 30.300 -0.076 0.000 0.861 304 R HN 0.290 nan 8.270 nan 0.000 0.440 305 S N -0.181 115.442 115.700 -0.129 0.000 2.402 305 S HA -0.063 4.411 4.470 0.007 0.000 0.229 305 S C 2.061 176.547 174.600 -0.189 0.000 1.021 305 S CA 1.040 59.184 58.200 -0.094 0.000 0.974 305 S CB -0.459 62.754 63.200 0.022 0.000 0.800 305 S HN 0.368 nan 8.310 nan 0.000 0.484 306 L N 0.598 121.616 121.223 -0.342 0.000 2.083 306 L HA 0.023 4.367 4.340 0.007 0.000 0.209 306 L C 2.549 179.237 176.870 -0.303 0.000 1.083 306 L CA 1.251 55.836 54.840 -0.424 0.000 0.752 306 L CB -0.572 41.154 42.059 -0.555 0.000 0.899 306 L HN 0.331 nan 8.230 nan 0.000 0.433 307 I N -0.230 120.181 120.570 -0.265 0.000 2.394 307 I HA -0.269 3.905 4.170 0.007 0.000 0.251 307 I C 1.959 177.980 176.117 -0.161 0.000 1.136 307 I CA 1.193 62.363 61.300 -0.216 0.000 1.425 307 I CB -0.201 37.668 38.000 -0.219 0.000 1.079 307 I HN 0.233 nan 8.210 nan 0.000 0.425 308 D N 0.805 121.121 120.400 -0.141 0.000 2.183 308 D HA -0.087 4.558 4.640 0.007 0.000 0.203 308 D C 2.026 178.271 176.300 -0.092 0.000 0.969 308 D CA 0.916 54.857 54.000 -0.099 0.000 0.842 308 D CB 0.065 40.823 40.800 -0.071 0.000 0.957 308 D HN 0.216 nan 8.370 nan 0.000 0.484 309 L N -1.256 119.898 121.223 -0.115 0.000 2.610 309 L HA 0.237 4.581 4.340 0.007 0.000 0.232 309 L C 1.587 178.396 176.870 -0.102 0.000 1.149 309 L CA 0.606 55.388 54.840 -0.097 0.000 0.872 309 L CB 0.118 42.105 42.059 -0.120 0.000 0.992 309 L HN 0.277 nan 8.230 nan 0.000 0.447 310 G N -0.710 108.020 108.800 -0.117 0.000 2.192 310 G HA2 -0.188 3.776 3.960 0.007 0.000 0.193 310 G HA3 -0.188 3.776 3.960 0.007 0.000 0.193 310 G C 0.145 174.979 174.900 -0.110 0.000 0.999 310 G CA -0.550 44.492 45.100 -0.097 0.000 0.659 310 G HN 0.125 nan 8.290 nan 0.000 0.503 311 L N 1.147 122.281 121.223 -0.150 0.000 2.439 311 L HA 0.491 4.835 4.340 0.007 0.000 0.259 311 L C 0.166 176.937 176.870 -0.164 0.000 1.129 311 L CA -0.943 53.808 54.840 -0.149 0.000 0.803 311 L CB 0.469 42.417 42.059 -0.186 0.000 1.161 311 L HN 0.042 nan 8.230 nan 0.000 0.462 312 D N 0.778 121.090 120.400 -0.147 0.000 2.312 312 D HA 0.178 4.823 4.640 0.007 0.000 0.248 312 D C -0.175 175.980 176.300 -0.242 0.000 1.086 312 D CA -0.517 53.376 54.000 -0.177 0.000 0.948 312 D CB 0.958 41.679 40.800 -0.132 0.000 1.162 312 D HN 0.304 nan 8.370 nan 0.000 0.446 313 K N 1.609 121.811 120.400 -0.331 0.000 2.561 313 K HA 0.016 4.340 4.320 0.007 0.000 0.280 313 K C -2.004 174.407 176.600 -0.315 0.000 0.975 313 K CA -0.572 55.449 56.287 -0.444 0.000 1.024 313 K CB -0.087 32.001 32.500 -0.686 0.000 0.883 313 K HN 0.267 nan 8.250 nan 0.000 0.496 314 P HA -0.138 nan 4.420 nan 0.000 0.268 314 P C 0.738 177.727 177.300 -0.518 0.000 1.208 314 P CA -0.031 62.728 63.100 -0.569 0.000 0.777 314 P CB 0.274 31.291 31.700 -1.137 0.000 0.875 315 W N 3.358 124.347 121.300 -0.517 0.000 2.392 315 W HA -0.186 4.479 4.660 0.008 0.000 0.279 315 W C 0.802 177.175 176.519 -0.244 0.000 1.225 315 W CA 0.676 57.818 57.345 -0.339 0.000 1.233 315 W CB -1.772 27.477 29.460 -0.352 0.000 1.122 315 W HN 0.342 nan 8.180 nan 0.000 0.561 316 Y N -2.720 117.078 120.300 -0.837 0.000 2.495 316 Y HA 0.209 4.763 4.550 0.007 0.000 0.293 316 Y C 2.196 178.005 175.900 -0.152 0.000 1.186 316 Y CA -1.948 55.691 58.100 -0.770 0.000 1.266 316 Y CB -1.713 35.842 38.460 -1.508 0.000 1.101 316 Y HN 0.073 nan 8.280 nan 0.000 0.517 317 W N 2.661 123.861 121.300 -0.168 0.000 2.280 317 W HA -0.328 4.337 4.660 0.008 0.000 0.332 317 W C 0.800 177.403 176.519 0.138 0.000 1.300 317 W CA 2.499 59.870 57.345 0.043 0.000 1.274 317 W CB -0.183 29.254 29.460 -0.039 0.000 1.141 317 W HN 0.253 nan 8.180 nan 0.000 0.474 318 D N 0.370 120.857 120.400 0.146 0.000 2.144 318 D HA -0.164 4.481 4.640 0.007 0.000 0.199 318 D C 2.261 178.579 176.300 0.030 0.000 0.984 318 D CA 1.607 55.616 54.000 0.015 0.000 0.834 318 D CB -0.668 40.191 40.800 0.098 0.000 0.955 318 D HN 0.301 nan 8.370 nan 0.000 0.465 319 L N -0.034 121.251 121.223 0.104 0.000 2.083 319 L HA -0.161 4.184 4.340 0.007 0.000 0.209 319 L C 2.415 179.434 176.870 0.249 0.000 1.083 319 L CA 0.669 55.596 54.840 0.146 0.000 0.752 319 L CB -0.443 41.654 42.059 0.065 0.000 0.899 319 L HN -0.033 nan 8.230 nan 0.000 0.433 320 F N 1.019 121.012 119.950 0.071 0.000 2.102 320 F HA -0.194 4.337 4.527 0.008 0.000 0.298 320 F C 2.184 177.792 175.800 -0.319 0.000 1.105 320 F CA 1.437 59.391 58.000 -0.077 0.000 1.239 320 F CB -0.424 38.536 39.000 -0.065 0.000 0.991 320 F HN -0.121 nan 8.300 nan 0.000 0.474 321 L N 0.022 120.964 121.223 -0.468 0.000 2.083 321 L HA -0.224 4.120 4.340 0.007 0.000 0.209 321 L C 2.576 179.319 176.870 -0.213 0.000 1.083 321 L CA 1.743 56.254 54.840 -0.549 0.000 0.752 321 L CB -0.759 40.985 42.059 -0.525 0.000 0.899 321 L HN 0.112 nan 8.230 nan 0.000 0.433 322 K N 0.153 120.514 120.400 -0.065 0.000 2.057 322 K HA -0.214 4.110 4.320 0.007 0.000 0.206 322 K C 1.710 178.395 176.600 0.142 0.000 1.050 322 K CA 1.630 57.958 56.287 0.069 0.000 0.935 322 K CB 0.023 32.585 32.500 0.104 0.000 0.715 322 K HN 0.113 nan 8.250 nan 0.000 0.439 323 D N 0.614 121.109 120.400 0.158 0.000 2.144 323 D HA -0.111 4.533 4.640 0.007 0.000 0.199 323 D C 1.687 178.213 176.300 0.376 0.000 0.984 323 D CA 0.892 55.086 54.000 0.323 0.000 0.834 323 D CB 0.026 41.125 40.800 0.498 0.000 0.955 323 D HN 0.248 nan 8.370 nan 0.000 0.465 324 I N 0.535 121.105 120.570 0.001 0.000 2.361 324 I HA -0.216 3.958 4.170 0.007 0.000 0.251 324 I C 1.490 177.809 176.117 0.336 0.000 1.133 324 I CA 0.940 62.270 61.300 0.049 0.000 1.413 324 I CB -0.083 37.688 38.000 -0.381 0.000 1.073 324 I HN -0.067 nan 8.210 nan 0.000 0.424 325 D N 0.373 120.954 120.400 0.302 0.000 2.317 325 D HA -0.088 4.556 4.640 0.007 0.000 0.211 325 D C 1.805 178.379 176.300 0.458 0.000 0.966 325 D CA 1.038 55.292 54.000 0.424 0.000 0.876 325 D CB 0.236 41.240 40.800 0.340 0.000 0.927 325 D HN 0.507 nan 8.370 nan 0.000 0.519 326 E N -0.973 119.475 120.200 0.414 0.000 2.475 326 E HA 0.061 4.415 4.350 0.007 0.000 0.205 326 E C 1.643 178.406 176.600 0.273 0.000 0.822 326 E CA -0.265 56.411 56.400 0.460 0.000 1.240 326 E CB 0.215 30.215 29.700 0.500 0.000 1.222 326 E HN -0.060 nan 8.360 nan 0.000 0.581 327 L N 2.686 124.044 121.223 0.225 0.000 2.017 327 L HA -0.158 4.187 4.340 0.007 0.000 0.208 327 L C 2.524 179.236 176.870 -0.264 0.000 1.073 327 L CA 1.980 56.788 54.840 -0.053 0.000 0.745 327 L CB -0.439 41.536 42.059 -0.140 0.000 0.894 327 L HN 0.313 nan 8.230 nan 0.000 0.432 328 H N -2.527 116.372 119.070 -0.286 0.000 2.491 328 H HA -0.129 4.431 4.556 0.007 0.000 0.290 328 H C 1.755 176.954 175.328 -0.215 0.000 1.050 328 H CA 1.625 57.484 56.048 -0.316 0.000 1.309 328 H CB -0.844 28.633 29.762 -0.475 0.000 1.392 328 H HN 0.525 nan 8.280 nan 0.000 0.554 329 H N 0.763 119.330 119.070 -0.839 0.000 2.423 329 H HA 0.018 4.578 4.556 0.007 0.000 0.297 329 H C 2.038 177.124 175.328 -0.402 0.000 1.075 329 H CA 1.402 56.937 56.048 -0.856 0.000 1.342 329 H CB 0.218 28.868 29.762 -1.854 0.000 1.395 329 H HN 0.386 nan 8.280 nan 0.000 0.530 330 S N 0.139 115.835 115.700 -0.006 0.000 2.406 330 S HA -0.058 4.416 4.470 0.007 0.000 0.224 330 S C 1.847 176.622 174.600 0.291 0.000 1.030 330 S CA 0.132 58.506 58.200 0.290 0.000 0.958 330 S CB -0.081 63.347 63.200 0.380 0.000 0.811 330 S HN 0.316 nan 8.310 nan 0.000 0.489 331 Y N 1.793 122.135 120.300 0.069 0.000 2.128 331 Y HA -0.155 4.399 4.550 0.007 0.000 0.284 331 Y C 2.543 178.524 175.900 0.136 0.000 1.154 331 Y CA 1.162 59.301 58.100 0.066 0.000 1.149 331 Y CB -1.454 37.011 38.460 0.007 0.000 0.976 331 Y HN 0.419 nan 8.280 nan 0.000 0.505 332 H N -0.155 119.017 119.070 0.170 0.000 2.289 332 H HA -0.247 4.313 4.556 0.007 0.000 0.296 332 H C 2.396 177.883 175.328 0.266 0.000 1.091 332 H CA 2.480 58.587 56.048 0.099 0.000 1.274 332 H CB -0.532 29.064 29.762 -0.277 0.000 1.364 332 H HN 0.307 nan 8.280 nan 0.000 0.490 333 M N -0.480 119.171 119.600 0.086 0.000 2.159 333 M HA -0.102 4.382 4.480 0.007 0.000 0.263 333 M C 2.352 178.801 176.300 0.249 0.000 1.063 333 M CA 2.001 57.365 55.300 0.106 0.000 1.110 333 M CB -0.251 32.394 32.600 0.076 0.000 1.374 333 M HN 0.465 nan 8.290 nan 0.000 0.411 334 G N -0.788 108.166 108.800 0.257 0.000 2.394 334 G HA2 -0.134 3.831 3.960 0.007 0.000 0.214 334 G HA3 -0.134 3.831 3.960 0.007 0.000 0.214 334 G C 1.300 176.409 174.900 0.349 0.000 1.176 334 G CA 0.807 46.073 45.100 0.276 0.000 0.786 334 G HN 0.374 nan 8.290 nan 0.000 0.533 335 V N -0.459 119.642 119.914 0.311 0.000 2.343 335 V HA -0.137 3.988 4.120 0.007 0.000 0.247 335 V C 2.233 178.488 176.094 0.267 0.000 1.051 335 V CA 1.840 64.352 62.300 0.352 0.000 1.036 335 V CB -0.500 31.590 31.823 0.445 0.000 0.654 335 V HN 0.623 nan 8.190 nan 0.000 0.451 336 W N -0.402 120.966 121.300 0.114 0.000 2.379 336 W HA -0.222 4.442 4.660 0.007 0.000 0.307 336 W C 2.505 179.066 176.519 0.070 0.000 1.200 336 W CA 1.691 59.075 57.345 0.064 0.000 1.297 336 W CB -0.458 29.035 29.460 0.056 0.000 1.140 336 W HN 0.322 nan 8.180 nan 0.000 0.507 337 Y N -0.956 119.464 120.300 0.200 0.000 2.224 337 Y HA -0.204 4.350 4.550 0.007 0.000 0.289 337 Y C 1.618 177.243 175.900 -0.458 0.000 1.146 337 Y CA 1.952 59.957 58.100 -0.158 0.000 1.182 337 Y CB -0.474 37.929 38.460 -0.095 0.000 0.983 337 Y HN -0.067 nan 8.280 nan 0.000 0.524 338 W N 2.747 123.999 121.300 -0.079 0.000 3.213 338 W HA 0.120 4.784 4.660 0.007 0.000 0.430 338 W C 1.402 177.772 176.519 -0.248 0.000 0.975 338 W CA -0.072 57.177 57.345 -0.160 0.000 2.015 338 W CB -0.105 29.283 29.460 -0.120 0.000 1.047 338 W HN 0.292 nan 8.180 nan 0.000 0.797 339 R N -0.565 119.755 120.500 -0.299 0.000 2.139 339 R HA -0.189 4.156 4.340 0.007 0.000 0.243 339 R C 1.729 177.773 176.300 -0.428 0.000 1.145 339 R CA 1.875 57.716 56.100 -0.431 0.000 0.976 339 R CB -1.256 28.666 30.300 -0.630 0.000 0.866 339 R HN -0.076 nan 8.270 nan 0.000 0.449 340 T N 1.004 115.330 114.554 -0.380 0.000 2.977 340 T HA -0.073 4.282 4.350 0.007 0.000 0.271 340 T C 1.662 176.113 174.700 -0.414 0.000 1.105 340 T CA 1.702 63.564 62.100 -0.397 0.000 1.116 340 T CB -0.348 68.320 68.868 -0.335 0.000 0.878 340 T HN 0.689 nan 8.240 nan 0.000 0.509 341 T N -1.212 113.237 114.554 -0.176 0.000 3.100 341 T HA 0.591 4.945 4.350 0.007 0.000 0.253 341 T C 0.731 175.467 174.700 0.060 0.000 1.118 341 T CA 0.216 62.352 62.100 0.061 0.000 1.058 341 T CB -0.043 69.059 68.868 0.391 0.000 0.953 341 T HN 0.375 nan 8.240 nan 0.000 0.515 342 A N 1.239 123.837 122.820 -0.369 0.000 2.286 342 A HA 0.562 4.886 4.320 0.007 0.000 0.286 342 A C 0.426 177.629 177.584 -0.636 0.000 1.097 342 A CA -0.901 50.567 52.037 -0.949 0.000 0.821 342 A CB 0.271 18.123 19.000 -1.913 0.000 1.076 342 A HN 0.773 nan 8.150 nan 0.000 0.490 343 W N -0.286 120.646 121.300 -0.613 0.000 3.316 343 W HA 0.481 5.145 4.660 0.008 0.000 0.327 343 W C -0.194 176.234 176.519 -0.152 0.000 1.232 343 W CA -0.879 56.166 57.345 -0.499 0.000 1.805 343 W CB -0.706 28.040 29.460 -1.189 0.000 1.090 343 W HN 0.596 nan 8.180 nan 0.000 0.654 344 W N 1.019 122.036 121.300 -0.472 0.000 2.929 344 W HA 0.602 5.265 4.660 0.005 0.000 0.345 344 W C -0.502 175.816 176.519 -0.334 0.000 1.151 344 W CA -1.509 55.612 57.345 -0.374 0.000 1.111 344 W CB 0.206 29.400 29.460 -0.444 0.000 1.449 344 W HN -0.352 nan 8.180 nan 0.000 0.572 345 N N 2.460 121.053 118.700 -0.178 0.000 2.527 345 N HA 0.313 5.057 4.740 0.007 0.000 0.236 345 N C -2.650 172.685 175.510 -0.291 0.000 0.999 345 N CA -1.668 51.212 53.050 -0.284 0.000 0.935 345 N CB 0.879 39.231 38.487 -0.225 0.000 1.132 345 N HN 0.019 nan 8.380 nan 0.000 0.511 346 P HA 0.091 nan 4.420 nan 0.000 0.271 346 P C -0.617 176.634 177.300 -0.082 0.000 1.216 346 P CA -0.220 62.704 63.100 -0.293 0.000 0.771 346 P CB 0.659 32.423 31.700 0.106 0.000 0.864 347 A N 3.071 125.758 122.820 -0.222 0.000 2.309 347 A HA 0.538 4.862 4.320 0.007 0.000 0.298 347 A C 1.418 179.123 177.584 0.201 0.000 1.165 347 A CA 0.056 52.172 52.037 0.131 0.000 0.821 347 A CB 0.386 19.506 19.000 0.201 0.000 1.102 347 A HN 0.546 nan 8.150 nan 0.000 0.500 348 A N 2.165 124.832 122.820 -0.256 0.000 1.898 348 A HA 0.355 4.679 4.320 0.007 0.000 0.216 348 A C 1.899 179.063 177.584 -0.698 0.000 1.181 348 A CA 1.582 53.027 52.037 -0.986 0.000 0.620 348 A CB -1.036 16.809 19.000 -1.926 0.000 0.819 348 A HN 2.650 nan 8.150 nan 0.000 0.442 349 G N -1.412 107.049 108.800 -0.566 0.000 2.198 349 G HA2 -0.097 3.867 3.960 0.007 0.000 0.257 349 G HA3 -0.097 3.867 3.960 0.007 0.000 0.257 349 G C 0.413 175.054 174.900 -0.432 0.000 1.042 349 G CA 0.814 45.737 45.100 -0.294 0.000 0.791 349 G HN 1.869 nan 8.290 nan 0.000 0.502 350 V N -1.880 117.602 119.914 -0.720 0.000 2.727 350 V HA 0.649 4.774 4.120 0.007 0.000 0.336 350 V C 0.778 176.719 176.094 -0.255 0.000 1.228 350 V CA 0.278 62.252 62.300 -0.542 0.000 1.270 350 V CB -0.295 31.061 31.823 -0.778 0.000 1.486 350 V HN 1.023 nan 8.190 nan 0.000 0.638 351 T N -1.200 113.255 114.554 -0.165 0.000 2.860 351 T HA 0.406 4.760 4.350 0.007 0.000 0.299 351 T C -1.274 173.418 174.700 -0.014 0.000 1.045 351 T CA -0.875 61.222 62.100 -0.004 0.000 1.071 351 T CB 1.217 70.080 68.868 -0.008 0.000 0.985 351 T HN 0.256 nan 8.240 nan 0.000 0.537 352 P HA -0.108 nan 4.420 nan 0.000 0.216 352 P C 1.457 178.761 177.300 0.007 0.000 1.150 352 P CA 1.136 64.258 63.100 0.038 0.000 0.843 352 P CB 0.070 31.801 31.700 0.052 0.000 0.787 353 E N -0.090 120.105 120.200 -0.008 0.000 2.077 353 E HA -0.227 4.127 4.350 0.007 0.000 0.193 353 E C 1.820 178.401 176.600 -0.032 0.000 0.989 353 E CA 1.170 57.559 56.400 -0.018 0.000 0.800 353 E CB -0.178 29.502 29.700 -0.034 0.000 0.746 353 E HN 0.297 nan 8.360 nan 0.000 0.452 354 E N -0.173 119.975 120.200 -0.087 0.000 2.107 354 E HA -0.129 4.226 4.350 0.007 0.000 0.191 354 E C 2.237 178.755 176.600 -0.138 0.000 0.982 354 E CA 0.599 56.920 56.400 -0.131 0.000 0.809 354 E CB 0.059 29.622 29.700 -0.228 0.000 0.756 354 E HN 0.173 nan 8.360 nan 0.000 0.459 355 R N 0.812 121.209 120.500 -0.173 0.000 2.092 355 R HA -0.115 4.230 4.340 0.007 0.000 0.231 355 R C 1.698 177.932 176.300 -0.109 0.000 1.119 355 R CA 1.241 57.199 56.100 -0.238 0.000 0.970 355 R CB -0.084 30.190 30.300 -0.042 0.000 0.864 355 R HN 0.146 nan 8.270 nan 0.000 0.440 356 D N -0.188 120.203 120.400 -0.016 0.000 2.117 356 D HA -0.203 4.441 4.640 0.007 0.000 0.197 356 D C 1.451 177.764 176.300 0.021 0.000 0.987 356 D CA 0.927 54.938 54.000 0.018 0.000 0.829 356 D CB -0.295 40.526 40.800 0.036 0.000 0.961 356 D HN 0.299 nan 8.370 nan 0.000 0.460 357 W N 1.585 122.790 121.300 -0.158 0.000 2.378 357 W HA -0.099 4.568 4.660 0.012 0.000 0.313 357 W C 2.107 178.515 176.519 -0.185 0.000 1.197 357 W CA 1.044 58.294 57.345 -0.159 0.000 1.304 357 W CB -0.517 28.844 29.460 -0.165 0.000 1.148 357 W HN -0.123 nan 8.180 nan 0.000 0.494 358 L N 0.657 121.810 121.223 -0.116 0.000 1.997 358 L HA -0.318 4.027 4.340 0.007 0.000 0.216 358 L C 2.520 179.240 176.870 -0.249 0.000 1.074 358 L CA 2.151 56.736 54.840 -0.426 0.000 0.763 358 L CB -1.178 40.205 42.059 -1.126 0.000 0.890 358 L HN 0.042 nan 8.230 nan 0.000 0.434 359 E N 0.231 120.351 120.200 -0.133 0.000 2.118 359 E HA -0.285 4.070 4.350 0.007 0.000 0.195 359 E C 2.029 178.603 176.600 -0.044 0.000 0.992 359 E CA 1.689 58.114 56.400 0.042 0.000 0.804 359 E CB -0.050 29.697 29.700 0.078 0.000 0.741 359 E HN 0.460 nan 8.360 nan 0.000 0.458 360 E N -0.651 119.453 120.200 -0.159 0.000 2.107 360 E HA -0.166 4.189 4.350 0.007 0.000 0.191 360 E C 1.385 177.773 176.600 -0.354 0.000 0.982 360 E CA 0.889 57.160 56.400 -0.215 0.000 0.809 360 E CB 0.128 29.695 29.700 -0.221 0.000 0.756 360 E HN -0.021 nan 8.360 nan 0.000 0.459 361 K N -0.236 119.821 120.400 -0.572 0.000 2.305 361 K HA -0.024 4.300 4.320 0.007 0.000 0.199 361 K C -0.102 175.910 176.600 -0.979 0.000 1.047 361 K CA 0.650 56.400 56.287 -0.894 0.000 0.976 361 K CB 0.250 31.951 32.500 -1.332 0.000 0.765 361 K HN 0.221 nan 8.250 nan 0.000 0.474 362 Y N 0.170 120.384 120.300 -0.144 0.000 2.513 362 Y HA 0.282 4.836 4.550 0.006 0.000 0.341 362 Y C -2.566 173.398 175.900 0.107 0.000 1.075 362 Y CA -2.803 55.322 58.100 0.041 0.000 1.190 362 Y CB 0.982 39.536 38.460 0.157 0.000 1.111 362 Y HN -0.145 nan 8.280 nan 0.000 0.644 363 P HA 0.120 nan 4.420 nan 0.000 0.261 363 P C 0.974 178.400 177.300 0.209 0.000 1.183 363 P CA 1.799 64.980 63.100 0.134 0.000 0.761 363 P CB 0.646 32.380 31.700 0.058 0.000 0.785 364 G N 2.369 111.304 108.800 0.225 0.000 2.184 364 G HA2 -0.238 3.726 3.960 0.007 0.000 0.206 364 G HA3 -0.238 3.726 3.960 0.007 0.000 0.206 364 G C 0.800 175.866 174.900 0.276 0.000 0.995 364 G CA -0.032 45.188 45.100 0.200 0.000 0.651 364 G HN 0.542 nan 8.290 nan 0.000 0.511 365 W N 1.481 122.903 121.300 0.203 0.000 2.335 365 W HA -0.044 4.622 4.660 0.010 0.000 0.311 365 W C 2.099 178.769 176.519 0.252 0.000 1.213 365 W CA 2.095 59.612 57.345 0.287 0.000 1.274 365 W CB -0.095 29.460 29.460 0.158 0.000 1.148 365 W HN 0.238 nan 8.180 nan 0.000 0.498 366 N N 0.368 119.402 118.700 0.557 0.000 2.223 366 N HA -0.147 4.598 4.740 0.007 0.000 0.185 366 N C 1.193 176.753 175.510 0.085 0.000 1.016 366 N CA 1.461 54.738 53.050 0.378 0.000 0.863 366 N CB -0.352 38.361 38.487 0.376 0.000 0.983 366 N HN 0.330 nan 8.380 nan 0.000 0.429 367 K N 0.292 120.720 120.400 0.046 0.000 2.487 367 K HA 0.119 4.444 4.320 0.007 0.000 0.192 367 K C 1.479 177.988 176.600 -0.152 0.000 1.027 367 K CA 0.222 56.490 56.287 -0.033 0.000 1.054 367 K CB 0.578 33.075 32.500 -0.005 0.000 0.824 367 K HN 0.135 nan 8.250 nan 0.000 0.510 368 R N -0.643 119.693 120.500 -0.273 0.000 1.889 368 R HA 0.156 4.500 4.340 0.007 0.000 0.134 368 R C 1.615 177.526 176.300 -0.650 0.000 2.065 368 R CA -0.270 55.492 56.100 -0.563 0.000 1.705 368 R CB -0.366 29.381 30.300 -0.922 0.000 1.387 368 R HN 0.162 nan 8.270 nan 0.000 0.484 369 W N 1.315 122.222 121.300 -0.655 0.000 2.425 369 W HA -0.022 4.642 4.660 0.007 0.000 0.277 369 W C 1.940 178.077 176.519 -0.637 0.000 1.231 369 W CA 1.138 58.082 57.345 -0.668 0.000 1.248 369 W CB -0.675 28.354 29.460 -0.719 0.000 1.117 369 W HN 0.522 nan 8.180 nan 0.000 0.568 370 G N 1.055 109.445 108.800 -0.682 0.000 2.469 370 G HA2 -0.285 3.680 3.960 0.007 0.000 0.219 370 G HA3 -0.285 3.680 3.960 0.007 0.000 0.219 370 G C 1.693 176.594 174.900 0.003 0.000 1.150 370 G CA 0.833 45.829 45.100 -0.174 0.000 0.763 370 G HN 0.025 nan 8.290 nan 0.000 0.561 371 R N 0.248 120.684 120.500 -0.106 0.000 2.103 371 R HA -0.081 4.264 4.340 0.007 0.000 0.242 371 R C 2.643 178.887 176.300 -0.092 0.000 1.142 371 R CA 1.257 57.306 56.100 -0.085 0.000 0.960 371 R CB -1.611 28.608 30.300 -0.134 0.000 0.858 371 R HN 0.468 nan 8.270 nan 0.000 0.439 372 C N -1.464 117.728 119.300 -0.180 0.000 2.446 372 C HA -0.062 4.402 4.460 0.007 0.000 0.277 372 C C 2.527 177.391 174.990 -0.210 0.000 1.275 372 C CA -0.150 58.714 59.018 -0.255 0.000 1.727 372 C CB -1.213 26.287 27.740 -0.400 0.000 2.010 372 C HN 0.553 nan 8.230 nan 0.000 0.486 373 W N 1.390 122.702 121.300 0.020 0.000 2.402 373 W HA -0.059 4.608 4.660 0.012 0.000 0.286 373 W C 2.109 178.700 176.519 0.120 0.000 1.221 373 W CA 0.724 58.117 57.345 0.080 0.000 1.257 373 W CB -0.501 29.048 29.460 0.148 0.000 1.120 373 W HN 0.322 nan 8.180 nan 0.000 0.551 374 D N 0.189 120.760 120.400 0.284 0.000 2.106 374 D HA -0.200 4.444 4.640 0.007 0.000 0.191 374 D C 2.220 178.616 176.300 0.160 0.000 0.997 374 D CA 1.845 55.966 54.000 0.202 0.000 0.834 374 D CB -0.881 39.993 40.800 0.124 0.000 0.956 374 D HN 0.012 nan 8.370 nan 0.000 0.448 375 V N 1.064 121.036 119.914 0.097 0.000 2.307 375 V HA -0.196 3.928 4.120 0.007 0.000 0.245 375 V C 2.576 178.745 176.094 0.123 0.000 1.045 375 V CA 1.016 63.358 62.300 0.069 0.000 1.024 375 V CB -0.371 31.454 31.823 0.003 0.000 0.651 375 V HN 0.166 nan 8.190 nan 0.000 0.449 376 I N 0.157 120.827 120.570 0.166 0.000 2.151 376 I HA -0.289 3.885 4.170 0.007 0.000 0.243 376 I C 2.557 178.892 176.117 0.364 0.000 1.080 376 I CA 2.081 63.556 61.300 0.292 0.000 1.339 376 I CB -0.659 37.545 38.000 0.340 0.000 1.039 376 I HN 0.321 nan 8.210 nan 0.000 0.409 377 T N -0.204 114.599 114.554 0.416 0.000 2.746 377 T HA -0.181 4.173 4.350 0.007 0.000 0.267 377 T C 1.795 176.604 174.700 0.182 0.000 1.039 377 T CA 1.256 63.596 62.100 0.400 0.000 1.142 377 T CB -0.228 68.921 68.868 0.468 0.000 0.866 377 T HN 0.390 nan 8.240 nan 0.000 0.444 378 E N 0.877 121.165 120.200 0.146 0.000 2.077 378 E HA -0.135 4.219 4.350 0.007 0.000 0.193 378 E C 2.258 178.882 176.600 0.040 0.000 0.989 378 E CA 0.783 57.229 56.400 0.076 0.000 0.800 378 E CB -0.096 29.642 29.700 0.063 0.000 0.746 378 E HN 0.364 nan 8.360 nan 0.000 0.452 379 N N 0.402 119.135 118.700 0.055 0.000 2.120 379 N HA -0.135 4.610 4.740 0.007 0.000 0.188 379 N C 2.014 177.493 175.510 -0.052 0.000 1.024 379 N CA 0.899 53.955 53.050 0.010 0.000 0.852 379 N CB -0.418 38.090 38.487 0.036 0.000 1.003 379 N HN 0.012 nan 8.380 nan 0.000 0.424 380 V N 2.098 121.979 119.914 -0.056 0.000 2.233 380 V HA -0.205 3.919 4.120 0.007 0.000 0.247 380 V C 2.519 178.506 176.094 -0.179 0.000 1.050 380 V CA 1.306 63.480 62.300 -0.209 0.000 1.010 380 V CB -0.775 30.880 31.823 -0.280 0.000 0.637 380 V HN 0.221 nan 8.190 nan 0.000 0.444 381 L N 0.162 121.316 121.223 -0.115 0.000 2.051 381 L HA -0.276 4.069 4.340 0.007 0.000 0.214 381 L C 1.848 178.675 176.870 -0.072 0.000 1.076 381 L CA 2.242 57.031 54.840 -0.084 0.000 0.758 381 L CB -0.676 41.363 42.059 -0.034 0.000 0.890 381 L HN 0.465 nan 8.230 nan 0.000 0.433 382 N N -0.851 117.813 118.700 -0.060 0.000 2.314 382 N HA -0.044 4.700 4.740 0.007 0.000 0.200 382 N C -0.070 175.399 175.510 -0.069 0.000 1.135 382 N CA -0.007 53.012 53.050 -0.052 0.000 0.835 382 N CB 0.248 38.715 38.487 -0.033 0.000 0.989 382 N HN 0.160 nan 8.380 nan 0.000 0.478 383 D N 0.850 121.189 120.400 -0.102 0.000 2.911 383 D HA -0.204 4.440 4.640 0.007 0.000 0.227 383 D C -0.627 175.606 176.300 -0.111 0.000 1.164 383 D CA 0.701 54.629 54.000 -0.121 0.000 0.782 383 D CB -0.744 40.001 40.800 -0.093 0.000 1.094 383 D HN 0.353 nan 8.370 nan 0.000 0.425 384 R N 0.387 120.827 120.500 -0.099 0.000 3.701 384 R HA 0.199 4.543 4.340 0.007 0.000 0.210 384 R C 1.461 177.695 176.300 -0.110 0.000 1.598 384 R CA -0.400 55.649 56.100 -0.084 0.000 1.427 384 R CB 0.163 30.431 30.300 -0.053 0.000 1.339 384 R HN 0.191 nan 8.270 nan 0.000 0.720 385 M N 1.148 120.660 119.600 -0.147 0.000 2.319 385 M HA -0.115 4.369 4.480 0.007 0.000 0.265 385 M C 1.334 177.540 176.300 -0.155 0.000 1.068 385 M CA 1.291 56.474 55.300 -0.195 0.000 1.118 385 M CB -0.589 31.874 32.600 -0.229 0.000 1.395 385 M HN 0.374 nan 8.290 nan 0.000 0.435 386 D N 0.425 120.755 120.400 -0.117 0.000 2.263 386 D HA -0.173 4.471 4.640 0.007 0.000 0.208 386 D C 1.788 178.030 176.300 -0.097 0.000 0.971 386 D CA 0.990 54.926 54.000 -0.107 0.000 0.867 386 D CB -0.740 40.013 40.800 -0.078 0.000 0.929 386 D HN 0.380 nan 8.370 nan 0.000 0.492 387 L N 0.650 121.832 121.223 -0.068 0.000 2.558 387 L HA 0.048 4.393 4.340 0.007 0.000 0.225 387 L C 1.944 178.838 176.870 0.040 0.000 1.128 387 L CA 0.206 55.043 54.840 -0.006 0.000 0.868 387 L CB 0.183 42.247 42.059 0.008 0.000 1.006 387 L HN 0.026 nan 8.230 nan 0.000 0.454 388 V N -5.382 114.478 119.914 -0.090 0.000 3.444 388 V HA 0.291 4.415 4.120 0.007 0.000 0.308 388 V C 0.534 176.202 176.094 -0.710 0.000 1.371 388 V CA -0.223 61.950 62.300 -0.210 0.000 1.141 388 V CB 0.135 31.986 31.823 0.047 0.000 1.037 388 V HN 0.164 nan 8.190 nan 0.000 0.433 389 S N 2.872 118.220 115.700 -0.586 0.000 2.521 389 S HA 0.698 5.172 4.470 0.007 0.000 0.295 389 S C -2.713 171.574 174.600 -0.521 0.000 1.098 389 S CA -0.835 56.968 58.200 -0.662 0.000 0.999 389 S CB 2.409 65.373 63.200 -0.395 0.000 1.034 389 S HN 0.450 nan 8.310 nan 0.000 0.483 390 P HA 0.419 nan 4.420 nan 0.000 0.278 390 P C -0.515 176.672 177.300 -0.188 0.000 1.258 390 P CA -0.403 62.495 63.100 -0.338 0.000 0.811 390 P CB 1.049 32.240 31.700 -0.847 0.000 1.063 391 E N -1.457 118.708 120.200 -0.058 0.000 2.641 391 E HA 0.137 4.492 4.350 0.007 0.000 0.224 391 E C 0.296 176.923 176.600 0.045 0.000 0.951 391 E CA 0.027 56.419 56.400 -0.013 0.000 1.102 391 E CB 0.985 30.676 29.700 -0.015 0.000 1.091 391 E HN 0.409 nan 8.360 nan 0.000 0.507 392 T N -0.561 114.058 114.554 0.108 0.000 2.716 392 T HA 0.541 4.895 4.350 0.007 0.000 0.286 392 T C -1.329 173.499 174.700 0.214 0.000 1.052 392 T CA -0.612 61.556 62.100 0.114 0.000 1.024 392 T CB 0.873 69.793 68.868 0.086 0.000 1.349 392 T HN -0.072 nan 8.240 nan 0.000 0.525 393 L N 2.845 124.056 121.223 -0.020 0.000 2.343 393 L HA 0.517 4.861 4.340 0.007 0.000 0.275 393 L C -1.843 174.835 176.870 -0.320 0.000 1.056 393 L CA -2.094 52.618 54.840 -0.213 0.000 0.804 393 L CB 1.488 43.268 42.059 -0.465 0.000 1.203 393 L HN 0.572 nan 8.230 nan 0.000 0.440 394 P HA 0.124 nan 4.420 nan 0.000 0.275 394 P C -0.755 176.257 177.300 -0.480 0.000 1.228 394 P CA -0.406 62.248 63.100 -0.744 0.000 0.786 394 P CB 0.815 31.782 31.700 -1.222 0.000 0.927 395 S N 0.578 116.078 115.700 -0.333 0.000 2.562 395 S HA 0.263 4.738 4.470 0.007 0.000 0.281 395 S C 0.289 174.737 174.600 -0.254 0.000 1.333 395 S CA -0.479 57.572 58.200 -0.248 0.000 1.052 395 S CB 0.325 63.404 63.200 -0.202 0.000 0.884 395 S HN 0.269 nan 8.310 nan 0.000 0.506 396 V N 1.996 121.796 119.914 -0.191 0.000 2.604 396 V HA 0.270 4.395 4.120 0.007 0.000 0.305 396 V C 0.335 176.386 176.094 -0.072 0.000 1.043 396 V CA -1.076 61.125 62.300 -0.165 0.000 0.888 396 V CB 1.708 33.426 31.823 -0.175 0.000 0.995 396 V HN 1.132 nan 8.190 nan 0.000 0.429 397 C N 3.926 123.210 119.300 -0.027 0.000 2.596 397 C HA 0.052 4.516 4.460 0.007 0.000 0.414 397 C C 1.756 176.750 174.990 0.007 0.000 1.396 397 C CA 0.192 59.233 59.018 0.039 0.000 1.698 397 C CB -1.016 26.812 27.740 0.146 0.000 2.572 397 C HN 1.017 nan 8.230 nan 0.000 0.604 398 N N 2.879 121.529 118.700 -0.083 0.000 2.521 398 N HA -0.007 4.737 4.740 0.007 0.000 0.188 398 N C 1.148 176.778 175.510 0.200 0.000 1.146 398 N CA 0.495 53.538 53.050 -0.013 0.000 0.893 398 N CB 0.036 38.391 38.487 -0.221 0.000 0.975 398 N HN 0.792 nan 8.380 nan 0.000 0.451 399 M N -0.581 119.188 119.600 0.282 0.000 2.969 399 M HA 0.148 4.632 4.480 0.007 0.000 0.234 399 M C 1.743 178.038 176.300 -0.009 0.000 1.409 399 M CA 1.107 56.537 55.300 0.218 0.000 1.314 399 M CB -0.436 32.358 32.600 0.323 0.000 1.130 399 M HN 0.020 nan 8.290 nan 0.000 0.558 400 S N -0.690 115.069 115.700 0.099 0.000 2.527 400 S HA -0.002 4.472 4.470 0.007 0.000 0.222 400 S C 0.595 175.178 174.600 -0.028 0.000 0.985 400 S CA 0.536 58.767 58.200 0.052 0.000 0.921 400 S CB -0.287 62.970 63.200 0.095 0.000 0.772 400 S HN 0.608 nan 8.310 nan 0.000 0.529 401 Q N -0.521 119.253 119.800 -0.044 0.000 2.460 401 Q HA -0.158 4.186 4.340 0.007 0.000 0.248 401 Q C -0.325 175.705 176.000 0.050 0.000 0.847 401 Q CA 1.088 56.894 55.803 0.004 0.000 1.214 401 Q CB -2.635 26.121 28.738 0.031 0.000 1.523 401 Q HN 0.737 nan 8.270 nan 0.000 0.602 402 I N 0.564 121.117 120.570 -0.029 0.000 2.525 402 I HA 0.363 4.537 4.170 0.007 0.000 0.301 402 I C -2.018 173.956 176.117 -0.240 0.000 0.992 402 I CA -2.558 58.643 61.300 -0.164 0.000 1.162 402 I CB 1.456 39.245 38.000 -0.351 0.000 1.332 402 I HN -0.289 nan 8.210 nan 0.000 0.458 403 P HA 0.033 nan 4.420 nan 0.000 0.266 403 P C -0.916 176.338 177.300 -0.078 0.000 1.193 403 P CA 0.102 62.996 63.100 -0.343 0.000 0.770 403 P CB 0.354 31.752 31.700 -0.503 0.000 0.836 404 L N 2.900 124.082 121.223 -0.069 0.000 2.313 404 L HA 0.396 4.740 4.340 0.007 0.000 0.282 404 L C 0.585 177.480 176.870 0.043 0.000 1.092 404 L CA -0.212 54.648 54.840 0.033 0.000 0.831 404 L CB 0.306 42.360 42.059 -0.008 0.000 1.159 404 L HN 0.192 nan 8.230 nan 0.000 0.442 405 V N 0.230 120.213 119.914 0.116 0.000 3.167 405 V HA 1.091 5.215 4.120 0.007 0.000 0.310 405 V C -0.160 175.995 176.094 0.102 0.000 1.207 405 V CA -0.171 62.198 62.300 0.115 0.000 1.059 405 V CB 1.671 33.605 31.823 0.185 0.000 1.079 405 V HN 0.762 nan 8.190 nan 0.000 0.446 406 G N -0.506 108.352 108.800 0.098 0.000 2.753 406 G HA2 0.574 4.538 3.960 0.007 0.000 0.303 406 G HA3 0.574 4.538 3.960 0.007 0.000 0.303 406 G C -1.451 173.490 174.900 0.069 0.000 1.242 406 G CA -0.267 44.867 45.100 0.056 0.000 0.810 406 G HN 1.215 nan 8.290 nan 0.000 0.515 407 V N 3.255 123.139 119.914 -0.050 0.000 2.385 407 V HA 0.409 4.534 4.120 0.007 0.000 0.269 407 V C -1.629 174.323 176.094 -0.237 0.000 1.043 407 V CA -0.887 61.273 62.300 -0.233 0.000 0.906 407 V CB 1.055 32.744 31.823 -0.223 0.000 0.995 407 V HN 0.578 nan 8.190 nan 0.000 0.467 408 P HA 0.594 nan 4.420 nan 0.000 0.297 408 P C 0.440 177.575 177.300 -0.276 0.000 1.307 408 P CA 0.541 63.525 63.100 -0.195 0.000 0.773 408 P CB 1.446 32.964 31.700 -0.303 0.000 1.265 409 G N 0.225 108.902 108.800 -0.204 0.000 2.498 409 G HA2 -0.240 3.724 3.960 0.007 0.000 0.245 409 G HA3 -0.240 3.724 3.960 0.007 0.000 0.245 409 G C 0.484 175.312 174.900 -0.119 0.000 1.204 409 G CA 0.594 45.572 45.100 -0.203 0.000 0.933 409 G HN 0.419 nan 8.290 nan 0.000 0.574 410 D N 1.594 121.925 120.400 -0.115 0.000 2.183 410 D HA 0.076 4.720 4.640 0.007 0.000 0.203 410 D C 1.362 177.648 176.300 -0.023 0.000 0.969 410 D CA 1.792 55.757 54.000 -0.060 0.000 0.842 410 D CB -0.120 40.650 40.800 -0.050 0.000 0.957 410 D HN 0.624 nan 8.370 nan 0.000 0.484 411 D N -0.591 119.787 120.400 -0.038 0.000 3.018 411 D HA -0.011 4.633 4.640 0.007 0.000 0.331 411 D C -0.342 175.974 176.300 0.026 0.000 1.334 411 D CA -0.973 53.027 54.000 0.000 0.000 0.900 411 D CB -1.080 39.709 40.800 -0.019 0.000 1.059 411 D HN 0.018 nan 8.370 nan 0.000 0.498 412 W N 2.230 123.445 121.300 -0.142 0.000 2.550 412 W HA 0.084 4.748 4.660 0.007 0.000 0.339 412 W C -0.601 175.858 176.519 -0.101 0.000 1.174 412 W CA 0.511 57.769 57.345 -0.144 0.000 1.243 412 W CB 0.021 29.407 29.460 -0.124 0.000 1.172 412 W HN 0.222 nan 8.180 nan 0.000 0.566 413 N N 6.850 125.283 118.700 -0.444 0.000 2.478 413 N HA 0.473 5.218 4.740 0.007 0.000 0.291 413 N C -2.017 173.141 175.510 -0.586 0.000 1.090 413 N CA -0.651 52.054 53.050 -0.575 0.000 0.911 413 N CB 0.887 39.224 38.487 -0.250 0.000 1.546 413 N HN 0.471 nan 8.380 nan 0.000 0.500 414 I N 1.162 121.278 120.570 -0.757 0.000 2.722 414 I HA 0.535 4.709 4.170 0.007 0.000 0.295 414 I C -1.474 174.447 176.117 -0.325 0.000 1.161 414 I CA -0.470 60.582 61.300 -0.414 0.000 1.032 414 I CB 1.846 39.642 38.000 -0.341 0.000 1.244 414 I HN 0.566 nan 8.210 nan 0.000 0.421 415 E N 5.663 125.756 120.200 -0.179 0.000 2.304 415 E HA 0.542 4.897 4.350 0.007 0.000 0.277 415 E C -1.990 174.466 176.600 -0.241 0.000 0.898 415 E CA -0.652 55.582 56.400 -0.277 0.000 0.764 415 E CB 2.406 31.896 29.700 -0.350 0.000 1.216 415 E HN 0.404 nan 8.360 nan 0.000 0.419 416 V N 4.503 124.220 119.914 -0.328 0.000 2.459 416 V HA 0.456 4.580 4.120 0.007 0.000 0.295 416 V C -0.758 175.147 176.094 -0.316 0.000 1.029 416 V CA -0.586 61.623 62.300 -0.151 0.000 0.874 416 V CB 1.074 32.852 31.823 -0.075 0.000 0.985 416 V HN 0.547 nan 8.190 nan 0.000 0.438 417 F N 2.373 122.436 119.950 0.188 0.000 2.332 417 F HA 0.552 5.083 4.527 0.007 0.000 0.368 417 F C 0.799 176.769 175.800 0.284 0.000 1.110 417 F CA -0.069 58.060 58.000 0.216 0.000 1.087 417 F CB 1.460 40.590 39.000 0.218 0.000 1.235 417 F HN 0.413 nan 8.300 nan 0.000 0.470 418 S N 3.368 119.245 115.700 0.296 0.000 2.718 418 S HA 0.821 5.296 4.470 0.007 0.000 0.300 418 S C -1.303 173.416 174.600 0.198 0.000 1.117 418 S CA -0.677 57.646 58.200 0.206 0.000 1.002 418 S CB 2.011 65.316 63.200 0.175 0.000 1.092 418 S HN 0.500 nan 8.310 nan 0.000 0.542 419 L N 1.781 123.073 121.223 0.116 0.000 2.614 419 L HA 0.389 4.733 4.340 0.007 0.000 0.264 419 L C -1.406 175.566 176.870 0.170 0.000 0.940 419 L CA -0.133 54.799 54.840 0.153 0.000 0.903 419 L CB 1.555 43.721 42.059 0.178 0.000 1.306 419 L HN 0.685 nan 8.230 nan 0.000 0.410 420 E N 3.419 123.716 120.200 0.162 0.000 2.283 420 E HA 0.480 4.834 4.350 0.007 0.000 0.278 420 E C -1.201 175.582 176.600 0.304 0.000 1.027 420 E CA -0.435 56.083 56.400 0.196 0.000 0.843 420 E CB 1.098 30.869 29.700 0.118 0.000 1.062 420 E HN 0.592 nan 8.360 nan 0.000 0.401 421 H N 2.408 121.637 119.070 0.264 0.000 3.128 421 H HA 0.149 4.710 4.556 0.007 0.000 0.336 421 H C -1.033 174.473 175.328 0.295 0.000 1.026 421 H CA -0.675 55.533 56.048 0.268 0.000 1.376 421 H CB 0.386 30.307 29.762 0.265 0.000 1.882 421 H HN 0.438 nan 8.280 nan 0.000 0.479 422 N N 3.823 122.388 118.700 -0.226 0.000 2.705 422 N HA -0.167 4.577 4.740 0.007 0.000 0.255 422 N C 0.995 176.499 175.510 -0.010 0.000 1.008 422 N CA 1.954 54.903 53.050 -0.169 0.000 0.742 422 N CB -1.338 36.974 38.487 -0.292 0.000 0.906 422 N HN 1.346 nan 8.380 nan 0.000 0.541 423 G N -0.996 107.817 108.800 0.022 0.000 2.160 423 G HA2 -0.360 3.604 3.960 0.007 0.000 0.251 423 G HA3 -0.360 3.604 3.960 0.007 0.000 0.251 423 G C 0.010 174.917 174.900 0.011 0.000 1.008 423 G CA 0.702 45.814 45.100 0.019 0.000 0.724 423 G HN 0.863 nan 8.290 nan 0.000 0.514 424 R N -1.035 119.489 120.500 0.040 0.000 2.651 424 R HA 0.686 5.031 4.340 0.007 0.000 0.278 424 R C -1.287 174.943 176.300 -0.117 0.000 1.010 424 R CA -1.130 54.910 56.100 -0.100 0.000 0.896 424 R CB 1.062 31.240 30.300 -0.203 0.000 1.211 424 R HN 0.357 nan 8.270 nan 0.000 0.456 425 L N 4.484 125.564 121.223 -0.238 0.000 2.264 425 L HA 0.434 4.779 4.340 0.007 0.000 0.289 425 L C -1.654 174.894 176.870 -0.536 0.000 1.044 425 L CA -0.119 54.570 54.840 -0.251 0.000 0.807 425 L CB 0.634 42.576 42.059 -0.194 0.000 1.192 425 L HN 0.578 nan 8.230 nan 0.000 0.425 426 Y N 3.984 123.986 120.300 -0.496 0.000 2.387 426 Y HA 0.571 5.125 4.550 0.007 0.000 0.336 426 Y C 0.017 175.342 175.900 -0.958 0.000 1.067 426 Y CA -0.712 56.966 58.100 -0.702 0.000 1.114 426 Y CB 1.448 39.469 38.460 -0.731 0.000 1.208 426 Y HN 0.473 nan 8.280 nan 0.000 0.458 427 H N 2.707 121.489 119.070 -0.479 0.000 2.572 427 H HA 0.459 5.019 4.556 0.007 0.000 0.359 427 H C -1.486 173.501 175.328 -0.568 0.000 1.134 427 H CA -1.034 54.795 56.048 -0.364 0.000 1.187 427 H CB 1.790 31.449 29.762 -0.172 0.000 1.597 427 H HN 0.519 nan 8.280 nan 0.000 0.524 428 F N -0.881 119.214 119.950 0.242 0.000 2.576 428 F HA 0.344 4.875 4.527 0.007 0.000 0.313 428 F C 1.347 177.335 175.800 0.312 0.000 1.078 428 F CA -0.769 57.364 58.000 0.221 0.000 0.921 428 F CB 1.906 41.012 39.000 0.177 0.000 1.232 428 F HN 0.671 nan 8.300 nan 0.000 0.459 429 G N -0.043 109.046 108.800 0.482 0.000 2.985 429 G HA2 0.338 4.302 3.960 0.007 0.000 0.209 429 G HA3 0.338 4.302 3.960 0.007 0.000 0.209 429 G C -0.201 174.990 174.900 0.484 0.000 1.165 429 G CA 0.631 45.985 45.100 0.424 0.000 0.776 429 G HN 0.620 nan 8.290 nan 0.000 0.541 430 S N -2.034 113.899 115.700 0.388 0.000 2.588 430 S HA 0.370 4.844 4.470 0.007 0.000 0.269 430 S C 0.330 174.499 174.600 -0.718 0.000 1.157 430 S CA -0.658 57.516 58.200 -0.044 0.000 0.824 430 S CB 1.528 64.848 63.200 0.200 0.000 1.126 430 S HN -0.078 nan 8.310 nan 0.000 0.464 431 E N 0.679 120.080 120.200 -1.332 0.000 2.118 431 E HA -0.103 4.251 4.350 0.007 0.000 0.195 431 E C 2.018 178.392 176.600 -0.377 0.000 0.992 431 E CA 1.586 57.476 56.400 -0.849 0.000 0.804 431 E CB -0.443 28.968 29.700 -0.481 0.000 0.741 431 E HN 0.529 nan 8.360 nan 0.000 0.458 432 V N 1.882 121.438 119.914 -0.598 0.000 2.358 432 V HA -0.205 3.920 4.120 0.007 0.000 0.246 432 V C 1.962 177.849 176.094 -0.344 0.000 1.047 432 V CA 1.728 63.603 62.300 -0.708 0.000 1.035 432 V CB -0.436 30.058 31.823 -2.216 0.000 0.658 432 V HN 0.113 nan 8.190 nan 0.000 0.452 433 D N -0.009 120.221 120.400 -0.282 0.000 2.117 433 D HA -0.173 4.471 4.640 0.007 0.000 0.198 433 D C 2.312 178.374 176.300 -0.396 0.000 0.982 433 D CA 1.362 55.336 54.000 -0.043 0.000 0.828 433 D CB -0.084 40.863 40.800 0.245 0.000 0.967 433 D HN 0.361 nan 8.370 nan 0.000 0.464 434 R N -0.135 120.047 120.500 -0.530 0.000 2.083 434 R HA -0.187 4.158 4.340 0.007 0.000 0.237 434 R C 2.270 178.366 176.300 -0.340 0.000 1.137 434 R CA 1.525 57.098 56.100 -0.878 0.000 0.951 434 R CB -0.491 29.638 30.300 -0.284 0.000 0.851 434 R HN 0.221 nan 8.270 nan 0.000 0.434 435 W N 0.601 121.750 121.300 -0.252 0.000 2.338 435 W HA -0.220 4.444 4.660 0.007 0.000 0.304 435 W C 1.725 178.214 176.519 -0.050 0.000 1.212 435 W CA 1.663 58.952 57.345 -0.092 0.000 1.264 435 W CB -0.379 29.113 29.460 0.054 0.000 1.142 435 W HN -0.097 nan 8.180 nan 0.000 0.512 436 V N 1.012 120.949 119.914 0.039 0.000 2.282 436 V HA -0.357 3.767 4.120 0.007 0.000 0.249 436 V C 2.113 178.058 176.094 -0.249 0.000 1.057 436 V CA 2.218 64.418 62.300 -0.166 0.000 1.032 436 V CB -1.426 30.419 31.823 0.037 0.000 0.645 436 V HN 0.332 nan 8.190 nan 0.000 0.447 437 F N 0.672 120.341 119.950 -0.470 0.000 2.120 437 F HA -0.270 4.261 4.527 0.007 0.000 0.300 437 F C 2.508 178.159 175.800 -0.249 0.000 1.095 437 F CA 2.122 59.870 58.000 -0.420 0.000 1.249 437 F CB -0.152 38.504 39.000 -0.574 0.000 0.995 437 F HN 0.147 nan 8.300 nan 0.000 0.480 438 Q N -0.577 119.140 119.800 -0.139 0.000 2.378 438 Q HA -0.144 4.201 4.340 0.007 0.000 0.205 438 Q C 1.945 177.756 176.000 -0.314 0.000 0.954 438 Q CA 0.598 56.284 55.803 -0.194 0.000 0.901 438 Q CB -0.007 28.656 28.738 -0.126 0.000 0.981 438 Q HN 0.467 nan 8.270 nan 0.000 0.483 439 Q N 0.193 119.729 119.800 -0.440 0.000 2.291 439 Q HA -0.077 4.267 4.340 0.007 0.000 0.205 439 Q C 0.187 176.042 176.000 -0.242 0.000 0.970 439 Q CA 0.986 56.546 55.803 -0.406 0.000 0.876 439 Q CB 0.304 28.711 28.738 -0.552 0.000 0.935 439 Q HN 0.160 nan 8.270 nan 0.000 0.455 440 D N -1.533 118.742 120.400 -0.208 0.000 3.285 440 D HA 0.156 4.800 4.640 0.007 0.000 0.273 440 D C -2.171 173.942 176.300 -0.311 0.000 1.295 440 D CA -1.528 52.344 54.000 -0.213 0.000 0.762 440 D CB 0.679 41.366 40.800 -0.188 0.000 1.379 440 D HN -0.196 nan 8.370 nan 0.000 0.612 441 P HA -0.163 nan 4.420 nan 0.000 0.217 441 P C 1.633 178.707 177.300 -0.377 0.000 1.151 441 P CA 0.730 63.459 63.100 -0.619 0.000 0.849 441 P CB 0.392 31.837 31.700 -0.425 0.000 0.787 442 V N -0.530 119.243 119.914 -0.236 0.000 2.913 442 V HA -0.209 3.915 4.120 0.007 0.000 0.260 442 V C 2.608 178.563 176.094 -0.231 0.000 1.098 442 V CA 1.685 63.893 62.300 -0.153 0.000 1.121 442 V CB -1.278 30.475 31.823 -0.116 0.000 0.714 442 V HN 0.137 nan 8.190 nan 0.000 0.487 443 Q N -0.548 118.981 119.800 -0.450 0.000 2.230 443 Q HA -0.108 4.237 4.340 0.007 0.000 0.202 443 Q C 1.604 177.252 176.000 -0.586 0.000 0.963 443 Q CA 1.859 57.260 55.803 -0.670 0.000 0.866 443 Q CB -0.051 28.005 28.738 -1.138 0.000 0.931 443 Q HN 0.783 nan 8.270 nan 0.000 0.452 444 Y N -1.312 118.931 120.300 -0.095 0.000 2.512 444 Y HA 0.115 4.669 4.550 0.007 0.000 0.268 444 Y C 2.021 178.111 175.900 0.316 0.000 1.102 444 Y CA 0.049 58.208 58.100 0.098 0.000 1.261 444 Y CB 0.030 38.529 38.460 0.064 0.000 1.250 444 Y HN 0.138 nan 8.280 nan 0.000 0.506 445 Q N 0.558 120.547 119.800 0.315 0.000 2.135 445 Q HA -0.168 4.176 4.340 0.007 0.000 0.204 445 Q C 0.524 176.889 176.000 0.607 0.000 0.981 445 Q CA 1.825 57.967 55.803 0.564 0.000 0.856 445 Q CB -0.406 28.618 28.738 0.476 0.000 0.902 445 Q HN 0.299 nan 8.270 nan 0.000 0.425 446 N N 0.257 119.194 118.700 0.396 0.000 2.322 446 N HA -0.009 4.736 4.740 0.007 0.000 0.194 446 N C -0.327 175.358 175.510 0.291 0.000 1.126 446 N CA 0.143 53.373 53.050 0.300 0.000 0.845 446 N CB -0.051 38.552 38.487 0.193 0.000 0.976 446 N HN 0.372 nan 8.380 nan 0.000 0.475 447 H N 1.260 120.527 119.070 0.328 0.000 2.732 447 H HA 0.103 4.663 4.556 0.007 0.000 0.351 447 H C -0.324 175.164 175.328 0.266 0.000 1.090 447 H CA 0.354 56.587 56.048 0.309 0.000 1.431 447 H CB 0.730 30.744 29.762 0.419 0.000 1.447 447 H HN -0.123 nan 8.280 nan 0.000 0.582 448 M N 5.030 124.336 119.600 -0.490 0.000 2.114 448 M HA 0.083 4.567 4.480 0.007 0.000 0.332 448 M C 0.205 176.338 176.300 -0.278 0.000 1.014 448 M CA -0.989 54.161 55.300 -0.250 0.000 0.956 448 M CB 1.005 33.525 32.600 -0.133 0.000 1.551 448 M HN 0.650 nan 8.290 nan 0.000 0.427 449 N N 2.702 121.398 118.700 -0.007 0.000 2.294 449 N HA 0.134 4.878 4.740 0.007 0.000 0.248 449 N C 0.652 176.196 175.510 0.057 0.000 1.300 449 N CA -0.325 52.785 53.050 0.099 0.000 0.925 449 N CB 1.071 39.622 38.487 0.106 0.000 1.188 449 N HN 0.805 nan 8.380 nan 0.000 0.512 450 I N -0.437 120.190 120.570 0.095 0.000 2.617 450 I HA -0.121 4.053 4.170 0.007 0.000 0.256 450 I C 1.133 177.278 176.117 0.047 0.000 1.167 450 I CA 0.646 62.011 61.300 0.109 0.000 1.469 450 I CB 0.104 38.217 38.000 0.188 0.000 1.098 450 I HN 0.374 nan 8.210 nan 0.000 0.436 451 V N 1.208 121.121 119.914 -0.002 0.000 2.453 451 V HA -0.221 3.903 4.120 0.007 0.000 0.247 451 V C 2.037 178.158 176.094 0.046 0.000 1.048 451 V CA 1.820 64.112 62.300 -0.013 0.000 1.049 451 V CB -0.725 31.040 31.823 -0.097 0.000 0.672 451 V HN 0.413 nan 8.190 nan 0.000 0.457 452 D N 0.300 120.705 120.400 0.009 0.000 2.116 452 D HA -0.200 4.444 4.640 0.007 0.000 0.193 452 D C 2.361 178.659 176.300 -0.003 0.000 0.998 452 D CA 1.457 55.451 54.000 -0.010 0.000 0.836 452 D CB -0.240 40.535 40.800 -0.042 0.000 0.951 452 D HN 0.409 nan 8.370 nan 0.000 0.449 453 R N -0.399 120.099 120.500 -0.003 0.000 2.073 453 R HA -0.108 4.237 4.340 0.007 0.000 0.234 453 R C 2.345 178.619 176.300 -0.044 0.000 1.134 453 R CA 0.701 56.775 56.100 -0.042 0.000 0.952 453 R CB -0.555 29.701 30.300 -0.073 0.000 0.850 453 R HN 0.138 nan 8.270 nan 0.000 0.433 454 F N 1.564 121.422 119.950 -0.154 0.000 2.087 454 F HA -0.225 4.307 4.527 0.008 0.000 0.299 454 F C 1.868 177.612 175.800 -0.093 0.000 1.100 454 F CA 1.635 59.556 58.000 -0.132 0.000 1.226 454 F CB -0.174 38.767 39.000 -0.097 0.000 0.983 454 F HN -0.074 nan 8.300 nan 0.000 0.479 455 L N -0.797 120.458 121.223 0.054 0.000 2.376 455 L HA -0.034 4.311 4.340 0.007 0.000 0.219 455 L C 2.154 178.979 176.870 -0.075 0.000 1.133 455 L CA 0.758 55.583 54.840 -0.025 0.000 0.816 455 L CB -0.703 41.371 42.059 0.025 0.000 0.933 455 L HN 0.204 nan 8.230 nan 0.000 0.449 456 A N -0.743 122.030 122.820 -0.077 0.000 2.345 456 A HA 0.427 4.752 4.320 0.007 0.000 0.225 456 A C 1.659 179.188 177.584 -0.093 0.000 1.243 456 A CA 0.562 52.555 52.037 -0.074 0.000 0.875 456 A CB -0.114 18.853 19.000 -0.055 0.000 0.929 456 A HN 0.443 nan 8.150 nan 0.000 0.502 457 G N -0.758 107.957 108.800 -0.142 0.000 2.176 457 G HA2 -0.320 3.644 3.960 0.007 0.000 0.253 457 G HA3 -0.320 3.644 3.960 0.007 0.000 0.253 457 G C 0.732 175.555 174.900 -0.129 0.000 0.979 457 G CA 0.558 45.572 45.100 -0.144 0.000 0.641 457 G HN 0.549 nan 8.290 nan 0.000 0.530 458 Q N -0.491 119.230 119.800 -0.133 0.000 2.435 458 Q HA 0.314 4.658 4.340 0.007 0.000 0.207 458 Q C 0.959 176.840 176.000 -0.199 0.000 0.956 458 Q CA 0.578 56.312 55.803 -0.115 0.000 0.917 458 Q CB 0.417 29.104 28.738 -0.086 0.000 0.997 458 Q HN 0.679 nan 8.270 nan 0.000 0.497 459 I N 1.984 122.391 120.570 -0.272 0.000 2.359 459 I HA 0.188 4.363 4.170 0.007 0.000 0.284 459 I C -0.553 175.473 176.117 -0.152 0.000 1.018 459 I CA -0.607 60.526 61.300 -0.277 0.000 1.173 459 I CB 1.049 38.887 38.000 -0.271 0.000 1.326 459 I HN -0.054 nan 8.210 nan 0.000 0.462 460 Q N 7.354 127.132 119.800 -0.038 0.000 2.331 460 Q HA 0.513 4.857 4.340 0.007 0.000 0.267 460 Q C -2.267 173.759 176.000 0.043 0.000 1.006 460 Q CA -1.708 54.085 55.803 -0.018 0.000 0.818 460 Q CB 2.345 31.078 28.738 -0.008 0.000 1.276 460 Q HN 0.401 nan 8.270 nan 0.000 0.450 461 P HA 0.242 nan 4.420 nan 0.000 0.276 461 P C -0.260 177.012 177.300 -0.046 0.000 1.252 461 P CA -0.541 62.552 63.100 -0.013 0.000 0.802 461 P CB 0.864 32.570 31.700 0.009 0.000 1.035 462 M N 1.779 121.276 119.600 -0.172 0.000 3.705 462 M HA 0.066 4.550 4.480 0.007 0.000 0.191 462 M C -0.341 175.908 176.300 -0.084 0.000 1.570 462 M CA 0.310 55.360 55.300 -0.416 0.000 1.714 462 M CB -1.232 31.011 32.600 -0.594 0.000 1.148 462 M HN 0.514 nan 8.290 nan 0.000 0.547 463 T N -2.311 112.359 114.554 0.195 0.000 2.864 463 T HA 0.306 4.660 4.350 0.007 0.000 0.289 463 T C 0.403 175.313 174.700 0.350 0.000 1.082 463 T CA -1.101 61.177 62.100 0.296 0.000 1.009 463 T CB 1.253 70.208 68.868 0.145 0.000 1.234 463 T HN 0.266 nan 8.240 nan 0.000 0.526 464 L N 0.812 122.158 121.223 0.206 0.000 2.017 464 L HA 0.090 4.435 4.340 0.007 0.000 0.208 464 L C 2.507 179.454 176.870 0.128 0.000 1.073 464 L CA 2.225 57.136 54.840 0.118 0.000 0.745 464 L CB -1.321 40.772 42.059 0.058 0.000 0.894 464 L HN 0.997 nan 8.230 nan 0.000 0.432 465 E N -0.982 119.282 120.200 0.106 0.000 2.110 465 E HA -0.186 4.168 4.350 0.007 0.000 0.193 465 E C 2.067 178.759 176.600 0.154 0.000 0.988 465 E CA 1.106 57.567 56.400 0.102 0.000 0.804 465 E CB -0.432 29.309 29.700 0.069 0.000 0.745 465 E HN 0.619 nan 8.360 nan 0.000 0.458 466 G N 0.586 109.490 108.800 0.173 0.000 2.422 466 G HA2 -0.246 3.718 3.960 0.007 0.000 0.218 466 G HA3 -0.246 3.718 3.960 0.007 0.000 0.218 466 G C 1.632 176.694 174.900 0.269 0.000 1.146 466 G CA 0.858 46.075 45.100 0.194 0.000 0.769 466 G HN 0.412 nan 8.290 nan 0.000 0.547 467 A N 0.727 123.730 122.820 0.304 0.000 1.902 467 A HA 0.087 4.411 4.320 0.007 0.000 0.217 467 A C 2.426 180.234 177.584 0.373 0.000 1.181 467 A CA 1.247 53.483 52.037 0.333 0.000 0.623 467 A CB -0.444 18.687 19.000 0.219 0.000 0.818 467 A HN 0.346 nan 8.150 nan 0.000 0.443 468 L N -0.555 120.852 121.223 0.306 0.000 2.079 468 L HA -0.232 4.113 4.340 0.007 0.000 0.210 468 L C 2.533 179.669 176.870 0.443 0.000 1.081 468 L CA 1.524 56.584 54.840 0.367 0.000 0.752 468 L CB -0.447 41.718 42.059 0.176 0.000 0.896 468 L HN 0.305 nan 8.230 nan 0.000 0.433 469 K N -0.787 119.811 120.400 0.330 0.000 2.103 469 K HA -0.179 4.145 4.320 0.007 0.000 0.204 469 K C 2.068 178.844 176.600 0.293 0.000 1.052 469 K CA 1.215 57.679 56.287 0.295 0.000 0.945 469 K CB -0.489 32.144 32.500 0.221 0.000 0.722 469 K HN 0.247 nan 8.250 nan 0.000 0.443 470 Y N 1.712 122.130 120.300 0.196 0.000 2.207 470 Y HA -0.125 4.429 4.550 0.007 0.000 0.287 470 Y C 2.064 178.070 175.900 0.175 0.000 1.156 470 Y CA 1.512 59.713 58.100 0.169 0.000 1.182 470 Y CB -0.203 38.364 38.460 0.177 0.000 0.979 470 Y HN -0.067 nan 8.280 nan 0.000 0.521 471 M N -0.832 118.940 119.600 0.287 0.000 2.630 471 M HA 0.040 4.525 4.480 0.007 0.000 0.254 471 M C 1.560 177.898 176.300 0.062 0.000 1.092 471 M CA 1.346 56.759 55.300 0.188 0.000 1.087 471 M CB -0.167 32.659 32.600 0.376 0.000 1.453 471 M HN 0.568 nan 8.290 nan 0.000 0.509 472 G N -0.062 108.786 108.800 0.081 0.000 2.179 472 G HA2 -0.217 3.747 3.960 0.007 0.000 0.220 472 G HA3 -0.217 3.747 3.960 0.007 0.000 0.220 472 G C -0.086 174.885 174.900 0.119 0.000 0.990 472 G CA -0.736 44.371 45.100 0.013 0.000 0.646 472 G HN 0.325 nan 8.290 nan 0.000 0.517 473 F N 1.253 121.435 119.950 0.385 0.000 2.572 473 F HA 0.408 4.940 4.527 0.007 0.000 0.370 473 F C 1.742 177.685 175.800 0.238 0.000 1.103 473 F CA 0.825 59.066 58.000 0.401 0.000 1.286 473 F CB 0.880 40.039 39.000 0.265 0.000 1.105 473 F HN 0.114 nan 8.300 nan 0.000 0.583 474 Q N 0.838 120.869 119.800 0.385 0.000 2.281 474 Q HA 0.155 4.500 4.340 0.007 0.000 0.215 474 Q C -0.058 176.065 176.000 0.206 0.000 0.867 474 Q CA 0.039 55.977 55.803 0.226 0.000 0.940 474 Q CB 0.704 29.529 28.738 0.146 0.000 1.111 474 Q HN 0.695 nan 8.270 nan 0.000 0.513 475 S N -1.898 113.953 115.700 0.251 0.000 2.587 475 S HA 0.299 4.773 4.470 0.007 0.000 0.269 475 S C 0.346 175.033 174.600 0.144 0.000 1.154 475 S CA -0.776 57.526 58.200 0.170 0.000 0.824 475 S CB 0.234 63.524 63.200 0.150 0.000 1.118 475 S HN 0.139 nan 8.310 nan 0.000 0.462 476 I N 0.876 121.494 120.570 0.080 0.000 2.361 476 I HA -0.111 4.064 4.170 0.007 0.000 0.251 476 I C 2.114 178.239 176.117 0.013 0.000 1.133 476 I CA 1.360 62.675 61.300 0.024 0.000 1.413 476 I CB -0.578 37.428 38.000 0.009 0.000 1.073 476 I HN 0.662 nan 8.210 nan 0.000 0.424 477 E N 1.120 121.356 120.200 0.060 0.000 2.208 477 E HA -0.144 4.211 4.350 0.007 0.000 0.193 477 E C 1.945 178.592 176.600 0.078 0.000 0.988 477 E CA 0.649 57.083 56.400 0.058 0.000 0.828 477 E CB -0.132 29.619 29.700 0.085 0.000 0.763 477 E HN 0.471 nan 8.360 nan 0.000 0.478 478 E N -0.055 120.244 120.200 0.165 0.000 2.204 478 E HA -0.092 4.262 4.350 0.007 0.000 0.195 478 E C 0.299 176.948 176.600 0.083 0.000 0.990 478 E CA 0.491 57.066 56.400 0.292 0.000 0.821 478 E CB -0.036 30.046 29.700 0.637 0.000 0.750 478 E HN 0.304 nan 8.360 nan 0.000 0.477 479 M N 0.519 119.996 119.600 -0.205 0.000 2.274 479 M HA 0.218 4.702 4.480 0.007 0.000 0.344 479 M C 0.666 176.724 176.300 -0.405 0.000 1.161 479 M CA -0.431 54.516 55.300 -0.588 0.000 1.126 479 M CB 1.401 33.568 32.600 -0.723 0.000 1.522 479 M HN -0.079 nan 8.290 nan 0.000 0.461 480 G N 2.249 110.756 108.800 -0.488 0.000 2.594 480 G HA2 0.398 4.363 3.960 0.007 0.000 0.243 480 G HA3 0.398 4.363 3.960 0.007 0.000 0.243 480 G C -0.813 173.854 174.900 -0.389 0.000 1.229 480 G CA -0.498 44.333 45.100 -0.449 0.000 0.843 480 G HN 0.783 nan 8.290 nan 0.000 0.578 481 K N 0.039 120.233 120.400 -0.343 0.000 2.522 481 K HA 0.405 4.729 4.320 0.007 0.000 0.275 481 K C -1.321 175.083 176.600 -0.328 0.000 1.006 481 K CA -0.940 55.158 56.287 -0.316 0.000 0.890 481 K CB 1.702 34.077 32.500 -0.208 0.000 1.475 481 K HN 0.418 nan 8.250 nan 0.000 0.441 482 D N 0.305 120.474 120.400 -0.385 0.000 2.533 482 D HA 0.059 4.703 4.640 0.007 0.000 0.236 482 D C 1.154 177.358 176.300 -0.161 0.000 1.137 482 D CA 0.652 54.483 54.000 -0.281 0.000 0.867 482 D CB 1.175 41.567 40.800 -0.680 0.000 1.170 482 D HN 0.619 nan 8.370 nan 0.000 0.474 483 A N 3.632 126.414 122.820 -0.062 0.000 1.933 483 A HA -0.192 4.133 4.320 0.007 0.000 0.218 483 A C 1.289 178.684 177.584 -0.316 0.000 1.175 483 A CA 1.392 53.289 52.037 -0.235 0.000 0.628 483 A CB -0.513 18.281 19.000 -0.342 0.000 0.814 483 A HN 0.819 nan 8.150 nan 0.000 0.444 484 H N -0.025 119.062 119.070 0.028 0.000 2.507 484 H HA 0.205 4.765 4.556 0.006 0.000 0.294 484 H C -0.483 174.858 175.328 0.023 0.000 1.064 484 H CA -0.155 55.928 56.048 0.058 0.000 1.138 484 H CB -0.010 29.849 29.762 0.162 0.000 1.515 484 H HN 0.385 nan 8.280 nan 0.000 0.547 485 D N 0.543 120.949 120.400 0.010 0.000 2.702 485 D HA -0.287 4.357 4.640 0.007 0.000 0.233 485 D C -0.220 176.145 176.300 0.109 0.000 1.164 485 D CA 1.065 55.063 54.000 -0.003 0.000 0.638 485 D CB -1.494 39.350 40.800 0.073 0.000 1.041 485 D HN 0.580 nan 8.370 nan 0.000 0.422 486 F N -3.432 116.594 119.950 0.127 0.000 2.748 486 F HA -0.371 4.159 4.527 0.006 0.000 0.370 486 F C 2.020 177.514 175.800 -0.511 0.000 0.620 486 F CA 0.709 58.512 58.000 -0.329 0.000 1.233 486 F CB -1.810 37.043 39.000 -0.246 0.000 1.708 486 F HN 0.334 nan 8.300 nan 0.000 0.298 487 A N 1.026 123.834 122.820 -0.020 0.000 2.076 487 A HA -0.198 4.126 4.320 0.007 0.000 0.220 487 A C 1.852 179.411 177.584 -0.040 0.000 1.160 487 A CA 1.530 53.559 52.037 -0.014 0.000 0.653 487 A CB -0.968 18.079 19.000 0.078 0.000 0.801 487 A HN 0.773 nan 8.150 nan 0.000 0.455 488 W N -0.854 120.454 121.300 0.013 0.000 2.364 488 W HA -0.100 4.561 4.660 0.001 0.000 0.281 488 W C 1.835 178.367 176.519 0.021 0.000 1.219 488 W CA 0.978 58.295 57.345 -0.047 0.000 1.220 488 W CB -1.292 28.095 29.460 -0.122 0.000 1.127 488 W HN 0.395 nan 8.180 nan 0.000 0.556 489 A N 2.150 124.673 122.820 -0.496 0.000 1.940 489 A HA -0.262 4.063 4.320 0.007 0.000 0.219 489 A C 1.693 179.222 177.584 -0.092 0.000 1.176 489 A CA 2.274 54.077 52.037 -0.390 0.000 0.631 489 A CB -0.992 17.677 19.000 -0.550 0.000 0.814 489 A HN 0.211 nan 8.150 nan 0.000 0.446 490 D N -0.163 120.190 120.400 -0.079 0.000 2.263 490 D HA -0.104 4.540 4.640 0.007 0.000 0.208 490 D C 1.481 177.791 176.300 0.017 0.000 0.971 490 D CA 1.229 55.214 54.000 -0.025 0.000 0.867 490 D CB -0.226 40.562 40.800 -0.020 0.000 0.929 490 D HN 0.568 nan 8.370 nan 0.000 0.492 491 K N -0.364 120.066 120.400 0.050 0.000 2.404 491 K HA 0.119 4.444 4.320 0.007 0.000 0.194 491 K C 0.504 177.151 176.600 0.079 0.000 1.023 491 K CA -0.092 56.231 56.287 0.060 0.000 1.094 491 K CB 0.501 33.039 32.500 0.063 0.000 0.841 491 K HN 0.102 nan 8.250 nan 0.000 0.523 492 C N 0.000 119.359 119.300 0.098 0.000 2.653 492 C HA 0.000 4.464 4.460 0.007 0.000 0.325 492 C CA 0.000 59.087 59.018 0.114 0.000 1.963 492 C CB 0.000 27.851 27.740 0.185 0.000 2.134 492 C HN 0.000 nan 8.230 nan 0.000 0.568