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 3dhh_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 LTFSFETGFT 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 0.000 177.440 177.584 -0.239 0.000 1.274 2 A CA 0.000 51.969 52.037 -0.113 0.000 0.836 2 A CB 0.000 18.944 19.000 -0.093 0.000 0.831 3 M N 1.176 120.631 119.600 -0.241 0.000 2.598 3 M HA 0.448 4.931 4.480 0.005 0.000 0.317 3 M C -0.784 175.321 176.300 -0.324 0.000 1.179 3 M CA -0.169 54.966 55.300 -0.275 0.000 0.936 3 M CB 1.397 33.964 32.600 -0.055 0.000 1.713 3 M HN 0.855 nan 8.290 nan 0.000 0.460 4 H N 1.144 120.317 119.070 0.171 0.000 2.473 4 H HA 0.454 5.013 4.556 0.005 0.000 0.327 4 H C -2.040 173.524 175.328 0.393 0.000 1.105 4 H CA -1.337 54.861 56.048 0.250 0.000 1.280 4 H CB 0.426 30.350 29.762 0.269 0.000 1.450 4 H HN 0.307 nan 8.280 nan 0.000 0.492 5 P HA 0.014 nan 4.420 nan 0.000 0.271 5 P C 0.676 177.991 177.300 0.024 0.000 1.218 5 P CA -0.367 62.851 63.100 0.197 0.000 0.780 5 P CB 1.316 33.069 31.700 0.088 0.000 0.901 6 R N 2.914 123.314 120.500 -0.167 0.000 2.105 6 R HA -0.189 4.154 4.340 0.005 0.000 0.239 6 R C 2.026 177.856 176.300 -0.783 0.000 1.135 6 R CA 2.031 57.608 56.100 -0.872 0.000 0.967 6 R CB -0.222 29.781 30.300 -0.495 0.000 0.861 6 R HN 0.527 nan 8.270 nan 0.000 0.442 7 K N -0.532 119.660 120.400 -0.347 0.000 2.211 7 K HA -0.155 4.168 4.320 0.005 0.000 0.204 7 K C 0.725 177.243 176.600 -0.136 0.000 1.047 7 K CA 1.917 58.079 56.287 -0.208 0.000 0.935 7 K CB -0.032 32.396 32.500 -0.119 0.000 0.728 7 K HN 0.128 nan 8.250 nan 0.000 0.452 8 D N 0.055 120.384 120.400 -0.119 0.000 2.323 8 D HA -0.055 4.588 4.640 0.005 0.000 0.209 8 D C 1.236 177.614 176.300 0.131 0.000 0.973 8 D CA 0.797 54.821 54.000 0.040 0.000 0.874 8 D CB 0.036 40.923 40.800 0.146 0.000 0.930 8 D HN 0.651 nan 8.370 nan 0.000 0.521 9 W N -1.284 120.092 121.300 0.128 0.000 2.534 9 W HA 0.208 4.871 4.660 0.005 0.000 0.339 9 W C 1.129 177.727 176.519 0.131 0.000 0.961 9 W CA -0.505 56.904 57.345 0.107 0.000 1.545 9 W CB -0.962 28.554 29.460 0.093 0.000 1.104 9 W HN -0.150 nan 8.180 nan 0.000 0.538 10 Y N 3.087 123.222 120.300 -0.276 0.000 2.207 10 Y HA -0.220 4.333 4.550 0.005 0.000 0.287 10 Y C 2.446 178.381 175.900 0.059 0.000 1.156 10 Y CA 2.541 60.537 58.100 -0.174 0.000 1.182 10 Y CB -0.172 38.123 38.460 -0.275 0.000 0.979 10 Y HN -0.228 nan 8.280 nan 0.000 0.521 11 E N 0.296 120.578 120.200 0.138 0.000 2.118 11 E HA -0.203 4.150 4.350 0.005 0.000 0.195 11 E C 2.267 178.894 176.600 0.045 0.000 0.992 11 E CA 1.366 57.827 56.400 0.101 0.000 0.804 11 E CB -0.484 29.286 29.700 0.117 0.000 0.741 11 E HN 0.559 nan 8.360 nan 0.000 0.458 12 L N 0.915 122.189 121.223 0.084 0.000 2.201 12 L HA -0.131 4.212 4.340 0.005 0.000 0.212 12 L C 2.609 179.503 176.870 0.040 0.000 1.105 12 L CA 1.571 56.459 54.840 0.080 0.000 0.775 12 L CB -0.869 41.262 42.059 0.120 0.000 0.913 12 L HN 0.211 nan 8.230 nan 0.000 0.440 13 T N -1.583 112.969 114.554 -0.004 0.000 2.962 13 T HA -0.181 4.172 4.350 0.005 0.000 0.270 13 T C 1.599 176.248 174.700 -0.085 0.000 1.088 13 T CA 0.872 62.943 62.100 -0.048 0.000 1.127 13 T CB -0.245 68.560 68.868 -0.105 0.000 0.883 13 T HN 0.545 nan 8.240 nan 0.000 0.493 14 R N 0.590 121.030 120.500 -0.100 0.000 2.577 14 R HA 0.665 5.008 4.340 0.005 0.000 0.344 14 R C 0.755 177.083 176.300 0.047 0.000 1.037 14 R CA -0.094 55.997 56.100 -0.015 0.000 1.102 14 R CB 0.131 30.440 30.300 0.015 0.000 1.313 14 R HN 0.238 nan 8.270 nan 0.000 0.561 15 A N 1.606 124.454 122.820 0.047 0.000 3.056 15 A HA 0.177 4.500 4.320 0.005 0.000 0.274 15 A C 0.789 178.428 177.584 0.092 0.000 1.661 15 A CA -0.162 51.919 52.037 0.075 0.000 1.363 15 A CB -0.344 18.696 19.000 0.066 0.000 1.139 15 A HN 0.465 nan 8.150 nan 0.000 0.598 16 T N -3.035 111.592 114.554 0.122 0.000 3.058 16 T HA 0.160 4.513 4.350 0.005 0.000 0.278 16 T C 0.304 175.201 174.700 0.328 0.000 0.974 16 T CA -0.377 61.829 62.100 0.178 0.000 0.893 16 T CB -0.236 68.714 68.868 0.137 0.000 1.138 16 T HN 0.296 nan 8.240 nan 0.000 0.529 17 N N 2.619 121.463 118.700 0.240 0.000 2.520 17 N HA 0.506 5.249 4.740 0.005 0.000 0.273 17 N C -0.745 174.974 175.510 0.350 0.000 1.155 17 N CA -0.453 52.729 53.050 0.220 0.000 0.967 17 N CB 0.505 39.039 38.487 0.078 0.000 1.092 17 N HN 0.744 nan 8.380 nan 0.000 0.457 18 W N -0.034 121.309 121.300 0.072 0.000 3.029 18 W HA 0.518 5.181 4.660 0.005 0.000 0.339 18 W C -1.076 175.485 176.519 0.070 0.000 1.198 18 W CA -0.894 56.488 57.345 0.061 0.000 1.148 18 W CB 0.229 29.722 29.460 0.054 0.000 1.451 18 W HN 0.118 nan 8.180 nan 0.000 0.564 19 T N 4.332 118.957 114.554 0.118 0.000 2.739 19 T HA 0.255 4.608 4.350 0.005 0.000 0.298 19 T C -2.130 172.589 174.700 0.032 0.000 0.929 19 T CA -0.751 61.346 62.100 -0.006 0.000 1.014 19 T CB 0.099 68.996 68.868 0.048 0.000 0.914 19 T HN 0.140 nan 8.240 nan 0.000 0.509 20 P HA 0.296 nan 4.420 nan 0.000 0.269 20 P C 0.102 177.411 177.300 0.015 0.000 1.215 20 P CA -0.244 62.868 63.100 0.020 0.000 0.780 20 P CB 0.855 32.509 31.700 -0.076 0.000 0.898 21 S N -0.340 115.353 115.700 -0.011 0.000 2.784 21 S HA 0.108 4.582 4.470 0.005 0.000 0.266 21 S C 0.973 175.347 174.600 -0.376 0.000 1.079 21 S CA 0.125 58.160 58.200 -0.276 0.000 0.989 21 S CB -0.299 62.575 63.200 -0.543 0.000 0.926 21 S HN 0.432 nan 8.310 nan 0.000 0.497 22 Y N 2.051 122.394 120.300 0.072 0.000 2.478 22 Y HA 0.412 4.965 4.550 0.005 0.000 0.261 22 Y C 0.785 176.706 175.900 0.036 0.000 1.127 22 Y CA -0.329 57.800 58.100 0.049 0.000 1.288 22 Y CB 0.472 38.961 38.460 0.049 0.000 1.084 22 Y HN 0.163 nan 8.280 nan 0.000 0.530 23 V N -3.400 116.598 119.914 0.139 0.000 3.159 23 V HA 0.693 4.816 4.120 0.005 0.000 0.308 23 V C -0.024 176.086 176.094 0.027 0.000 1.190 23 V CA -0.918 61.425 62.300 0.071 0.000 1.037 23 V CB 1.360 33.220 31.823 0.062 0.000 1.060 23 V HN 0.057 nan 8.190 nan 0.000 0.437 24 T N -1.927 112.634 114.554 0.011 0.000 2.849 24 T HA 0.333 4.687 4.350 0.005 0.000 0.284 24 T C 0.929 175.623 174.700 -0.009 0.000 1.004 24 T CA 0.698 62.797 62.100 -0.002 0.000 1.021 24 T CB 1.279 70.149 68.868 0.004 0.000 1.013 24 T HN 1.079 nan 8.240 nan 0.000 0.527 25 E N 0.140 120.333 120.200 -0.012 0.000 2.097 25 E HA -0.261 4.092 4.350 0.005 0.000 0.196 25 E C 1.870 178.508 176.600 0.063 0.000 1.000 25 E CA 1.613 58.021 56.400 0.013 0.000 0.804 25 E CB -0.097 29.590 29.700 -0.021 0.000 0.740 25 E HN 0.819 nan 8.360 nan 0.000 0.454 26 E N 0.453 120.679 120.200 0.043 0.000 2.152 26 E HA -0.174 4.179 4.350 0.005 0.000 0.192 26 E C 1.956 178.602 176.600 0.077 0.000 0.983 26 E CA 1.349 57.802 56.400 0.089 0.000 0.818 26 E CB 0.002 29.749 29.700 0.079 0.000 0.758 26 E HN 0.364 nan 8.360 nan 0.000 0.467 27 Q N -0.557 119.263 119.800 0.033 0.000 2.119 27 Q HA -0.102 4.241 4.340 0.005 0.000 0.201 27 Q C 2.073 178.062 176.000 -0.019 0.000 0.972 27 Q CA 1.260 57.072 55.803 0.015 0.000 0.847 27 Q CB -0.105 28.638 28.738 0.009 0.000 0.903 27 Q HN 0.282 nan 8.270 nan 0.000 0.433 28 L N -0.795 120.375 121.223 -0.088 0.000 2.131 28 L HA 0.001 4.344 4.340 0.005 0.000 0.206 28 L C 0.082 176.660 176.870 -0.486 0.000 1.087 28 L CA 1.448 56.098 54.840 -0.317 0.000 0.767 28 L CB 0.307 42.093 42.059 -0.455 0.000 0.917 28 L HN 0.007 nan 8.230 nan 0.000 0.441 29 F N 1.514 121.491 119.950 0.045 0.000 2.471 29 F HA 0.414 4.944 4.527 0.005 0.000 0.318 29 F C -2.164 173.723 175.800 0.146 0.000 1.308 29 F CA -2.796 55.276 58.000 0.119 0.000 1.162 29 F CB -0.090 38.911 39.000 0.001 0.000 1.383 29 F HN -0.047 nan 8.300 nan 0.000 0.552 30 P HA -0.022 nan 4.420 nan 0.000 0.267 30 P C 0.823 178.112 177.300 -0.018 0.000 1.205 30 P CA 0.301 63.442 63.100 0.069 0.000 0.765 30 P CB 1.316 32.989 31.700 -0.045 0.000 0.828 31 E N 5.254 125.427 120.200 -0.045 0.000 2.130 31 E HA -0.254 4.100 4.350 0.005 0.000 0.196 31 E C 1.962 178.408 176.600 -0.256 0.000 0.998 31 E CA 1.812 58.018 56.400 -0.323 0.000 0.806 31 E CB -0.428 29.079 29.700 -0.320 0.000 0.738 31 E HN 0.473 nan 8.360 nan 0.000 0.459 32 R N -0.504 119.877 120.500 -0.199 0.000 2.152 32 R HA -0.106 4.237 4.340 0.005 0.000 0.232 32 R C 1.481 177.616 176.300 -0.274 0.000 1.117 32 R CA 1.754 57.731 56.100 -0.204 0.000 0.981 32 R CB -0.156 30.044 30.300 -0.167 0.000 0.870 32 R HN 0.235 nan 8.270 nan 0.000 0.451 33 M N -0.176 119.184 119.600 -0.400 0.000 2.571 33 M HA 0.210 4.693 4.480 0.005 0.000 0.259 33 M C 1.620 177.655 176.300 -0.441 0.000 1.205 33 M CA 0.622 55.541 55.300 -0.635 0.000 1.138 33 M CB 0.565 32.295 32.600 -1.449 0.000 1.329 33 M HN 0.097 nan 8.290 nan 0.000 0.503 34 S N 0.206 115.758 115.700 -0.247 0.000 2.427 34 S HA 0.228 4.701 4.470 0.005 0.000 0.224 34 S C 1.436 175.956 174.600 -0.133 0.000 1.047 34 S CA 0.879 59.054 58.200 -0.042 0.000 0.953 34 S CB -0.041 63.267 63.200 0.180 0.000 0.824 34 S HN 0.655 nan 8.310 nan 0.000 0.502 35 G N 2.161 110.818 108.800 -0.238 0.000 2.221 35 G HA2 -0.304 3.659 3.960 0.005 0.000 0.265 35 G HA3 -0.304 3.659 3.960 0.005 0.000 0.265 35 G C 0.248 175.077 174.900 -0.119 0.000 1.041 35 G CA 0.766 45.747 45.100 -0.199 0.000 0.807 35 G HN 0.828 nan 8.290 nan 0.000 0.502 36 H N -2.362 116.712 119.070 0.007 0.000 2.559 36 H HA 0.400 4.960 4.556 0.005 0.000 0.273 36 H C 1.950 177.451 175.328 0.288 0.000 1.000 36 H CA 0.628 56.775 56.048 0.165 0.000 1.195 36 H CB -0.111 29.661 29.762 0.017 0.000 1.368 36 H HN 0.591 nan 8.280 nan 0.000 0.592 37 M N 0.147 119.804 119.600 0.095 0.000 2.503 37 M HA -0.245 4.239 4.480 0.005 0.000 0.199 37 M C 1.288 177.720 176.300 0.221 0.000 0.466 37 M CA 0.957 56.329 55.300 0.120 0.000 0.510 37 M CB -1.655 31.014 32.600 0.116 0.000 1.858 37 M HN 0.866 nan 8.290 nan 0.000 0.799 38 G N -0.077 108.986 108.800 0.438 0.000 2.162 38 G HA2 -0.283 3.681 3.960 0.005 0.000 0.260 38 G HA3 -0.283 3.681 3.960 0.005 0.000 0.260 38 G C 0.052 175.085 174.900 0.220 0.000 0.976 38 G CA 0.290 45.583 45.100 0.321 0.000 0.655 38 G HN 0.637 nan 8.290 nan 0.000 0.533 39 I N 3.348 124.096 120.570 0.296 0.000 2.517 39 I HA 0.209 4.382 4.170 0.005 0.000 0.285 39 I C -1.298 174.944 176.117 0.208 0.000 1.106 39 I CA -1.850 59.543 61.300 0.155 0.000 1.402 39 I CB 0.777 38.775 38.000 -0.003 0.000 1.399 39 I HN -0.040 nan 8.210 nan 0.000 0.535 40 P HA 0.024 nan 4.420 nan 0.000 0.272 40 P C 1.074 178.462 177.300 0.148 0.000 1.223 40 P CA -0.287 62.840 63.100 0.045 0.000 0.784 40 P CB 1.195 32.892 31.700 -0.004 0.000 0.923 41 L N 1.084 122.363 121.223 0.092 0.000 2.054 41 L HA -0.289 4.054 4.340 0.005 0.000 0.220 41 L C 2.526 179.471 176.870 0.124 0.000 1.081 41 L CA 2.515 57.410 54.840 0.091 0.000 0.780 41 L CB -0.620 41.397 42.059 -0.069 0.000 0.893 41 L HN 0.520 nan 8.230 nan 0.000 0.438 42 E N 0.147 120.375 120.200 0.046 0.000 2.097 42 E HA -0.252 4.101 4.350 0.005 0.000 0.196 42 E C 2.053 178.660 176.600 0.012 0.000 1.000 42 E CA 1.473 57.890 56.400 0.028 0.000 0.804 42 E CB 0.047 29.750 29.700 0.005 0.000 0.740 42 E HN 0.210 nan 8.360 nan 0.000 0.454 43 K N -0.457 119.911 120.400 -0.053 0.000 2.283 43 K HA -0.141 4.182 4.320 0.005 0.000 0.202 43 K C 1.618 178.089 176.600 -0.214 0.000 1.048 43 K CA 1.124 57.304 56.287 -0.178 0.000 0.948 43 K CB -0.321 31.995 32.500 -0.308 0.000 0.742 43 K HN 0.404 nan 8.250 nan 0.000 0.458 44 W N 1.422 122.702 121.300 -0.033 0.000 2.770 44 W HA 0.011 4.674 4.660 0.006 0.000 0.256 44 W C 1.620 178.155 176.519 0.027 0.000 1.291 44 W CA 0.069 57.403 57.345 -0.018 0.000 1.396 44 W CB 0.051 29.444 29.460 -0.112 0.000 1.114 44 W HN 0.154 nan 8.180 nan 0.000 0.637 45 E N 0.090 120.405 120.200 0.191 0.000 2.338 45 E HA -0.156 4.197 4.350 0.005 0.000 0.197 45 E C 2.198 178.889 176.600 0.151 0.000 1.007 45 E CA 1.335 57.828 56.400 0.156 0.000 0.849 45 E CB -0.124 29.639 29.700 0.106 0.000 0.774 45 E HN 0.161 nan 8.360 nan 0.000 0.506 46 S N -0.165 115.606 115.700 0.117 0.000 2.522 46 S HA -0.137 4.336 4.470 0.005 0.000 0.227 46 S C 0.643 175.327 174.600 0.139 0.000 0.986 46 S CA -0.324 57.928 58.200 0.087 0.000 0.929 46 S CB -0.378 62.831 63.200 0.014 0.000 0.769 46 S HN 0.323 nan 8.310 nan 0.000 0.529 47 Y N 2.855 123.207 120.300 0.087 0.000 2.805 47 Y HA 0.220 4.774 4.550 0.005 0.000 0.331 47 Y C -0.318 175.653 175.900 0.119 0.000 1.241 47 Y CA 0.351 58.524 58.100 0.120 0.000 1.546 47 Y CB 0.233 38.812 38.460 0.199 0.000 1.248 47 Y HN 0.163 nan 8.280 nan 0.000 0.559 48 D N 6.286 126.564 120.400 -0.203 0.000 2.389 48 D HA 0.066 4.709 4.640 0.005 0.000 0.256 48 D C -1.190 175.001 176.300 -0.182 0.000 1.239 48 D CA -0.662 53.298 54.000 -0.068 0.000 0.925 48 D CB 0.461 41.247 40.800 -0.024 0.000 1.145 48 D HN 0.606 nan 8.370 nan 0.000 0.542 49 E N 4.074 124.251 120.200 -0.038 0.000 2.415 49 E HA 0.059 4.412 4.350 0.005 0.000 0.260 49 E C -1.871 174.752 176.600 0.039 0.000 1.016 49 E CA -1.085 55.335 56.400 0.033 0.000 0.924 49 E CB 1.122 30.995 29.700 0.289 0.000 0.961 49 E HN 0.269 nan 8.360 nan 0.000 0.459 50 P HA -0.085 nan 4.420 nan 0.000 0.231 50 P C -0.082 177.259 177.300 0.069 0.000 1.168 50 P CA 0.807 63.922 63.100 0.024 0.000 0.779 50 P CB 0.055 31.769 31.700 0.023 0.000 0.844 51 Y N 1.116 121.421 120.300 0.008 0.000 2.842 51 Y HA 0.319 4.872 4.550 0.005 0.000 0.334 51 Y C 0.122 176.034 175.900 0.019 0.000 1.019 51 Y CA -1.031 57.074 58.100 0.008 0.000 1.258 51 Y CB 0.555 39.037 38.460 0.037 0.000 1.106 51 Y HN -0.265 nan 8.280 nan 0.000 0.545 52 K N 2.562 123.070 120.400 0.180 0.000 2.118 52 K HA 0.484 4.807 4.320 0.005 0.000 0.264 52 K C -0.198 176.472 176.600 0.117 0.000 1.000 52 K CA -0.418 55.916 56.287 0.079 0.000 0.929 52 K CB 1.863 34.176 32.500 -0.311 0.000 1.021 52 K HN 0.460 nan 8.250 nan 0.000 0.463 53 T N -0.633 113.992 114.554 0.118 0.000 2.754 53 T HA 0.462 4.816 4.350 0.005 0.000 0.296 53 T C -1.500 173.297 174.700 0.163 0.000 1.205 53 T CA -0.688 61.433 62.100 0.036 0.000 1.009 53 T CB 1.320 70.106 68.868 -0.136 0.000 1.368 53 T HN 0.677 nan 8.240 nan 0.000 0.509 54 S N 0.288 116.095 115.700 0.177 0.000 2.632 54 S HA 0.471 4.944 4.470 0.005 0.000 0.289 54 S C 0.494 175.340 174.600 0.411 0.000 1.115 54 S CA -0.673 57.792 58.200 0.441 0.000 0.889 54 S CB 1.166 64.735 63.200 0.614 0.000 1.116 54 S HN 0.798 nan 8.310 nan 0.000 0.486 55 Y N 2.574 123.180 120.300 0.510 0.000 2.081 55 Y HA -0.025 4.528 4.550 0.005 0.000 0.280 55 Y C -0.876 175.221 175.900 0.328 0.000 1.163 55 Y CA 2.693 61.079 58.100 0.475 0.000 1.135 55 Y CB -1.220 37.441 38.460 0.336 0.000 0.970 55 Y HN 0.562 nan 8.280 nan 0.000 0.498 56 P HA -0.154 nan 4.420 nan 0.000 0.218 56 P C 0.871 178.240 177.300 0.115 0.000 1.149 56 P CA 2.004 65.235 63.100 0.218 0.000 0.817 56 P CB -0.046 31.799 31.700 0.241 0.000 0.785 57 E N -1.247 119.039 120.200 0.144 0.000 2.072 57 E HA -0.191 4.162 4.350 0.005 0.000 0.191 57 E C 2.167 178.770 176.600 0.006 0.000 0.985 57 E CA 0.767 57.214 56.400 0.077 0.000 0.801 57 E CB -0.625 29.133 29.700 0.096 0.000 0.750 57 E HN 0.232 nan 8.360 nan 0.000 0.452 58 Y N 1.495 121.710 120.300 -0.142 0.000 2.097 58 Y HA -0.278 4.275 4.550 0.005 0.000 0.282 58 Y C 2.320 178.128 175.900 -0.152 0.000 1.152 58 Y CA 1.834 59.807 58.100 -0.212 0.000 1.136 58 Y CB -0.343 37.908 38.460 -0.349 0.000 0.975 58 Y HN -0.020 nan 8.280 nan 0.000 0.498 59 V N -2.366 117.497 119.914 -0.085 0.000 2.427 59 V HA -0.194 3.929 4.120 0.005 0.000 0.248 59 V C 2.325 178.350 176.094 -0.115 0.000 1.051 59 V CA 2.106 64.330 62.300 -0.126 0.000 1.048 59 V CB -1.397 30.332 31.823 -0.156 0.000 0.666 59 V HN 0.454 nan 8.190 nan 0.000 0.456 60 S N 0.248 115.900 115.700 -0.079 0.000 2.348 60 S HA -0.111 4.362 4.470 0.005 0.000 0.221 60 S C 1.979 176.533 174.600 -0.077 0.000 1.033 60 S CA 1.861 60.032 58.200 -0.049 0.000 1.010 60 S CB -0.402 62.791 63.200 -0.011 0.000 0.891 60 S HN 0.515 nan 8.310 nan 0.000 0.442 61 I N 1.816 122.317 120.570 -0.115 0.000 2.202 61 I HA -0.070 4.103 4.170 0.005 0.000 0.242 61 I C 2.583 178.602 176.117 -0.164 0.000 1.091 61 I CA 1.228 62.455 61.300 -0.122 0.000 1.368 61 I CB -1.528 36.393 38.000 -0.131 0.000 1.058 61 I HN 0.395 nan 8.210 nan 0.000 0.410 62 Q N 0.143 119.767 119.800 -0.293 0.000 2.167 62 Q HA -0.174 4.169 4.340 0.005 0.000 0.202 62 Q C 2.243 178.169 176.000 -0.123 0.000 0.970 62 Q CA 0.979 56.612 55.803 -0.284 0.000 0.855 62 Q CB -0.556 27.859 28.738 -0.538 0.000 0.911 62 Q HN 0.508 nan 8.270 nan 0.000 0.438 63 R N 1.091 121.534 120.500 -0.096 0.000 2.083 63 R HA -0.186 4.157 4.340 0.005 0.000 0.237 63 R C 1.995 178.291 176.300 -0.007 0.000 1.137 63 R CA 1.783 57.863 56.100 -0.032 0.000 0.951 63 R CB -0.084 30.200 30.300 -0.027 0.000 0.851 63 R HN 0.286 nan 8.270 nan 0.000 0.434 64 E N 0.355 120.542 120.200 -0.021 0.000 2.077 64 E HA -0.188 4.165 4.350 0.005 0.000 0.193 64 E C 1.790 178.397 176.600 0.012 0.000 0.989 64 E CA 1.389 57.788 56.400 -0.001 0.000 0.800 64 E CB 0.165 29.859 29.700 -0.010 0.000 0.746 64 E HN 0.326 nan 8.360 nan 0.000 0.452 65 K N 0.281 120.676 120.400 -0.008 0.000 2.026 65 K HA -0.158 4.165 4.320 0.005 0.000 0.208 65 K C 1.873 178.495 176.600 0.037 0.000 1.048 65 K CA 1.516 57.803 56.287 0.001 0.000 0.929 65 K CB -0.082 32.403 32.500 -0.026 0.000 0.713 65 K HN 0.139 nan 8.250 nan 0.000 0.439 66 D N 0.450 120.892 120.400 0.070 0.000 2.144 66 D HA -0.066 4.577 4.640 0.005 0.000 0.200 66 D C 1.805 178.264 176.300 0.265 0.000 0.978 66 D CA 1.053 55.161 54.000 0.180 0.000 0.833 66 D CB -0.126 40.829 40.800 0.258 0.000 0.961 66 D HN 0.177 nan 8.370 nan 0.000 0.470 67 A N 0.568 123.485 122.820 0.162 0.000 1.908 67 A HA -0.062 4.262 4.320 0.005 0.000 0.218 67 A C 2.339 180.009 177.584 0.143 0.000 1.181 67 A CA 2.157 54.281 52.037 0.144 0.000 0.627 67 A CB -1.053 17.991 19.000 0.073 0.000 0.818 67 A HN 0.311 nan 8.150 nan 0.000 0.445 68 G N -0.658 108.204 108.800 0.104 0.000 2.404 68 G HA2 0.037 4.000 3.960 0.005 0.000 0.215 68 G HA3 0.037 4.000 3.960 0.005 0.000 0.215 68 G C 1.770 176.738 174.900 0.113 0.000 1.174 68 G CA 1.414 46.569 45.100 0.092 0.000 0.780 68 G HN 0.793 nan 8.290 nan 0.000 0.537 69 A N 0.167 123.041 122.820 0.090 0.000 1.877 69 A HA -0.004 4.319 4.320 0.005 0.000 0.216 69 A C 2.250 179.934 177.584 0.167 0.000 1.186 69 A CA 1.613 53.697 52.037 0.078 0.000 0.620 69 A CB -0.657 18.284 19.000 -0.098 0.000 0.822 69 A HN 0.414 nan 8.150 nan 0.000 0.443 70 Y N 0.233 120.661 120.300 0.213 0.000 2.263 70 Y HA -0.095 4.458 4.550 0.005 0.000 0.292 70 Y C 3.032 178.982 175.900 0.083 0.000 1.130 70 Y CA 1.282 59.461 58.100 0.132 0.000 1.179 70 Y CB -0.445 38.026 38.460 0.018 0.000 0.998 70 Y HN 0.250 nan 8.280 nan 0.000 0.532 71 S N -0.488 115.343 115.700 0.220 0.000 2.368 71 S HA -0.161 4.312 4.470 0.005 0.000 0.225 71 S C 2.224 176.899 174.600 0.125 0.000 1.030 71 S CA 1.399 59.684 58.200 0.142 0.000 0.999 71 S CB -0.578 62.687 63.200 0.108 0.000 0.844 71 S HN 0.207 nan 8.310 nan 0.000 0.459 72 V N 1.955 121.954 119.914 0.142 0.000 2.307 72 V HA -0.171 3.952 4.120 0.005 0.000 0.245 72 V C 2.393 178.578 176.094 0.152 0.000 1.045 72 V CA 1.775 64.163 62.300 0.146 0.000 1.024 72 V CB -0.557 31.367 31.823 0.169 0.000 0.651 72 V HN 0.440 nan 8.190 nan 0.000 0.449 73 K N 0.439 120.931 120.400 0.154 0.000 2.020 73 K HA -0.249 4.074 4.320 0.005 0.000 0.212 73 K C 2.196 178.819 176.600 0.038 0.000 1.050 73 K CA 1.910 58.227 56.287 0.050 0.000 0.929 73 K CB -0.405 31.951 32.500 -0.241 0.000 0.714 73 K HN 0.414 nan 8.250 nan 0.000 0.443 74 A N 0.925 123.783 122.820 0.063 0.000 1.908 74 A HA -0.114 4.209 4.320 0.005 0.000 0.218 74 A C 2.315 179.934 177.584 0.057 0.000 1.181 74 A CA 1.992 54.064 52.037 0.057 0.000 0.627 74 A CB -0.811 18.233 19.000 0.075 0.000 0.818 74 A HN 0.526 nan 8.150 nan 0.000 0.445 75 A N -0.845 122.019 122.820 0.072 0.000 2.015 75 A HA 0.140 4.463 4.320 0.005 0.000 0.219 75 A C 1.770 179.400 177.584 0.078 0.000 1.163 75 A CA 1.262 53.340 52.037 0.069 0.000 0.646 75 A CB -0.370 18.672 19.000 0.070 0.000 0.806 75 A HN 0.468 nan 8.150 nan 0.000 0.448 76 L N -0.711 120.570 121.223 0.096 0.000 2.769 76 L HA 0.130 4.473 4.340 0.005 0.000 0.240 76 L C 1.400 178.337 176.870 0.111 0.000 1.163 76 L CA -0.192 54.719 54.840 0.119 0.000 0.962 76 L CB -0.006 42.154 42.059 0.168 0.000 1.258 76 L HN 0.207 nan 8.230 nan 0.000 0.513 77 E N 1.129 121.374 120.200 0.075 0.000 2.219 77 E HA -0.152 4.201 4.350 0.005 0.000 0.198 77 E C 1.381 178.028 176.600 0.079 0.000 0.998 77 E CA 0.976 57.410 56.400 0.056 0.000 0.818 77 E CB 0.084 29.791 29.700 0.012 0.000 0.741 77 E HN 0.382 nan 8.360 nan 0.000 0.477 78 R N -0.295 120.250 120.500 0.077 0.000 2.388 78 R HA 0.255 4.598 4.340 0.005 0.000 0.247 78 R C 1.433 177.787 176.300 0.091 0.000 0.931 78 R CA 0.326 56.472 56.100 0.077 0.000 1.082 78 R CB -0.016 30.318 30.300 0.057 0.000 1.135 78 R HN 0.012 nan 8.270 nan 0.000 0.525 79 A N 1.530 124.416 122.820 0.110 0.000 2.239 79 A HA -0.057 4.266 4.320 0.005 0.000 0.209 79 A C 0.527 178.182 177.584 0.117 0.000 1.171 79 A CA 0.259 52.365 52.037 0.116 0.000 0.768 79 A CB -0.231 18.852 19.000 0.139 0.000 0.790 79 A HN 0.316 nan 8.150 nan 0.000 0.478 80 K N -1.164 119.315 120.400 0.131 0.000 3.096 80 K HA -0.179 4.144 4.320 0.005 0.000 0.266 80 K C 0.505 177.187 176.600 0.136 0.000 1.043 80 K CA 0.497 56.866 56.287 0.136 0.000 0.758 80 K CB -1.489 31.073 32.500 0.103 0.000 1.260 80 K HN 0.423 nan 8.250 nan 0.000 0.481 81 I N -0.240 120.432 120.570 0.169 0.000 2.127 81 I HA -0.287 3.886 4.170 0.005 0.000 0.241 81 I C 2.259 178.450 176.117 0.123 0.000 1.075 81 I CA 1.795 63.190 61.300 0.158 0.000 1.334 81 I CB -1.070 37.063 38.000 0.221 0.000 1.040 81 I HN 0.395 nan 8.210 nan 0.000 0.405 82 Y N 1.962 122.256 120.300 -0.010 0.000 2.165 82 Y HA -0.281 4.272 4.550 0.005 0.000 0.286 82 Y C 2.432 178.330 175.900 -0.003 0.000 1.155 82 Y CA 2.101 60.142 58.100 -0.098 0.000 1.164 82 Y CB -0.060 38.266 38.460 -0.222 0.000 0.978 82 Y HN 0.219 nan 8.280 nan 0.000 0.513 83 E N -0.554 119.678 120.200 0.054 0.000 2.122 83 E HA -0.068 4.285 4.350 0.005 0.000 0.190 83 E C 1.569 178.154 176.600 -0.026 0.000 0.977 83 E CA 1.105 57.511 56.400 0.010 0.000 0.820 83 E CB -0.041 29.726 29.700 0.111 0.000 0.770 83 E HN 0.389 nan 8.360 nan 0.000 0.462 84 N N -0.582 118.122 118.700 0.007 0.000 2.322 84 N HA 0.115 4.858 4.740 0.005 0.000 0.181 84 N C -0.231 175.282 175.510 0.004 0.000 1.088 84 N CA 0.136 53.193 53.050 0.012 0.000 0.885 84 N CB 0.548 39.054 38.487 0.033 0.000 1.013 84 N HN -0.115 nan 8.380 nan 0.000 0.472 85 S N 0.760 116.463 115.700 0.006 0.000 2.592 85 S HA 0.007 4.480 4.470 0.005 0.000 0.271 85 S C 0.037 174.653 174.600 0.026 0.000 1.326 85 S CA -0.572 57.651 58.200 0.038 0.000 1.024 85 S CB 1.036 64.323 63.200 0.145 0.000 0.921 85 S HN 0.205 nan 8.310 nan 0.000 0.527 86 D N 2.079 122.518 120.400 0.066 0.000 2.488 86 D HA 0.002 4.645 4.640 0.005 0.000 0.238 86 D C -1.367 174.945 176.300 0.019 0.000 1.138 86 D CA -1.323 52.723 54.000 0.076 0.000 0.873 86 D CB 0.959 41.844 40.800 0.141 0.000 1.183 86 D HN 0.153 nan 8.370 nan 0.000 0.458 87 P HA -0.090 nan 4.420 nan 0.000 0.221 87 P C 1.243 178.424 177.300 -0.198 0.000 1.145 87 P CA 0.804 63.767 63.100 -0.228 0.000 0.795 87 P CB 0.053 31.531 31.700 -0.371 0.000 0.775 88 G N -1.033 107.691 108.800 -0.126 0.000 2.443 88 G HA2 -0.226 3.738 3.960 0.005 0.000 0.219 88 G HA3 -0.226 3.738 3.960 0.005 0.000 0.219 88 G C 1.510 176.447 174.900 0.061 0.000 1.131 88 G CA 0.026 45.114 45.100 -0.020 0.000 0.775 88 G HN 0.291 nan 8.290 nan 0.000 0.547 89 W N 0.931 122.202 121.300 -0.048 0.000 2.409 89 W HA -0.065 4.599 4.660 0.006 0.000 0.299 89 W C 1.885 178.352 176.519 -0.086 0.000 1.203 89 W CA 0.476 57.787 57.345 -0.057 0.000 1.298 89 W CB 0.011 29.433 29.460 -0.063 0.000 1.127 89 W HN 0.060 nan 8.180 nan 0.000 0.528 90 I N 1.189 121.671 120.570 -0.148 0.000 2.226 90 I HA -0.269 3.904 4.170 0.005 0.000 0.245 90 I C 2.436 178.405 176.117 -0.246 0.000 1.100 90 I CA 1.398 62.587 61.300 -0.186 0.000 1.374 90 I CB -1.675 36.251 38.000 -0.123 0.000 1.057 90 I HN -0.110 nan 8.210 nan 0.000 0.413 91 S N 0.461 116.023 115.700 -0.230 0.000 2.382 91 S HA -0.153 4.320 4.470 0.005 0.000 0.228 91 S C 2.046 176.480 174.600 -0.277 0.000 1.027 91 S CA 1.755 59.836 58.200 -0.199 0.000 0.991 91 S CB -0.351 62.725 63.200 -0.206 0.000 0.823 91 S HN 0.500 nan 8.310 nan 0.000 0.469 92 T N 3.077 117.419 114.554 -0.353 0.000 2.684 92 T HA -0.046 4.307 4.350 0.005 0.000 0.267 92 T C 1.733 176.044 174.700 -0.647 0.000 1.036 92 T CA 1.143 62.940 62.100 -0.505 0.000 1.148 92 T CB -0.498 67.914 68.868 -0.760 0.000 0.863 92 T HN 0.280 nan 8.240 nan 0.000 0.436 93 L N 0.311 121.067 121.223 -0.777 0.000 2.017 93 L HA -0.124 4.220 4.340 0.005 0.000 0.208 93 L C 2.686 179.516 176.870 -0.067 0.000 1.073 93 L CA 1.498 55.997 54.840 -0.568 0.000 0.745 93 L CB -0.498 41.417 42.059 -0.241 0.000 0.894 93 L HN 0.216 nan 8.230 nan 0.000 0.432 94 K N -0.518 119.815 120.400 -0.112 0.000 2.026 94 K HA -0.176 4.147 4.320 0.005 0.000 0.208 94 K C 2.455 179.174 176.600 0.199 0.000 1.048 94 K CA 1.645 57.906 56.287 -0.044 0.000 0.929 94 K CB -0.256 32.114 32.500 -0.216 0.000 0.713 94 K HN 0.127 nan 8.250 nan 0.000 0.439 95 S N 0.321 115.907 115.700 -0.189 0.000 2.348 95 S HA -0.241 4.232 4.470 0.005 0.000 0.221 95 S C 1.982 176.489 174.600 -0.156 0.000 1.033 95 S CA 1.683 59.564 58.200 -0.532 0.000 1.010 95 S CB -0.324 62.217 63.200 -1.097 0.000 0.891 95 S HN 0.459 nan 8.310 nan 0.000 0.442 96 H N -0.637 118.276 119.070 -0.262 0.000 2.267 96 H HA -0.134 4.425 4.556 0.005 0.000 0.297 96 H C 1.882 177.210 175.328 -0.000 0.000 1.080 96 H CA 2.582 58.507 56.048 -0.205 0.000 1.278 96 H CB -0.621 28.950 29.762 -0.317 0.000 1.365 96 H HN 0.516 nan 8.280 nan 0.000 0.489 97 Y N 0.008 120.506 120.300 0.330 0.000 2.181 97 Y HA -0.085 4.468 4.550 0.005 0.000 0.288 97 Y C 2.899 178.932 175.900 0.222 0.000 1.146 97 Y CA 1.353 59.652 58.100 0.331 0.000 1.164 97 Y CB -0.919 37.809 38.460 0.447 0.000 0.982 97 Y HN 0.425 nan 8.280 nan 0.000 0.515 98 G N -0.755 108.309 108.800 0.439 0.000 2.418 98 G HA2 -0.188 3.776 3.960 0.005 0.000 0.217 98 G HA3 -0.188 3.776 3.960 0.005 0.000 0.217 98 G C 1.860 176.964 174.900 0.339 0.000 1.158 98 G CA 0.919 46.165 45.100 0.243 0.000 0.771 98 G HN 0.464 nan 8.290 nan 0.000 0.545 99 A N -0.319 122.764 122.820 0.438 0.000 2.119 99 A HA 0.346 4.669 4.320 0.005 0.000 0.216 99 A C 2.180 179.983 177.584 0.366 0.000 1.152 99 A CA 0.876 53.142 52.037 0.382 0.000 0.708 99 A CB -0.092 18.971 19.000 0.106 0.000 0.805 99 A HN 0.405 nan 8.150 nan 0.000 0.460 100 I N -2.173 118.488 120.570 0.153 0.000 3.812 100 I HA 0.101 4.275 4.170 0.005 0.000 0.292 100 I C 2.658 178.777 176.117 0.003 0.000 1.206 100 I CA 0.671 61.994 61.300 0.039 0.000 1.370 100 I CB -0.198 37.676 38.000 -0.210 0.000 1.328 100 I HN 0.189 nan 8.210 nan 0.000 0.453 101 A N 0.988 123.850 122.820 0.069 0.000 1.873 101 A HA -0.187 4.136 4.320 0.005 0.000 0.218 101 A C 2.267 179.798 177.584 -0.088 0.000 1.193 101 A CA 2.307 54.396 52.037 0.087 0.000 0.629 101 A CB -0.962 18.152 19.000 0.189 0.000 0.826 101 A HN 0.233 nan 8.150 nan 0.000 0.447 102 V N -0.472 119.217 119.914 -0.374 0.000 3.129 102 V HA -0.003 4.120 4.120 0.005 0.000 0.259 102 V C 2.614 178.241 176.094 -0.777 0.000 1.116 102 V CA 1.201 63.171 62.300 -0.550 0.000 1.127 102 V CB -0.781 30.656 31.823 -0.644 0.000 0.742 102 V HN 0.634 nan 8.190 nan 0.000 0.474 103 G N -0.145 108.056 108.800 -0.997 0.000 2.402 103 G HA2 -0.178 3.785 3.960 0.005 0.000 0.216 103 G HA3 -0.178 3.785 3.960 0.005 0.000 0.216 103 G C 1.430 176.092 174.900 -0.398 0.000 1.162 103 G CA 0.508 45.234 45.100 -0.623 0.000 0.777 103 G HN 0.466 nan 8.290 nan 0.000 0.539 104 E N -0.012 120.070 120.200 -0.197 0.000 2.049 104 E HA -0.212 4.141 4.350 0.005 0.000 0.198 104 E C 2.097 178.671 176.600 -0.043 0.000 1.007 104 E CA 1.195 57.574 56.400 -0.035 0.000 0.809 104 E CB -0.440 29.335 29.700 0.124 0.000 0.749 104 E HN 0.561 nan 8.360 nan 0.000 0.450 105 Y N 1.266 121.491 120.300 -0.125 0.000 2.224 105 Y HA -0.200 4.354 4.550 0.005 0.000 0.289 105 Y C 2.331 178.163 175.900 -0.113 0.000 1.146 105 Y CA 1.446 59.488 58.100 -0.097 0.000 1.182 105 Y CB -0.366 38.048 38.460 -0.077 0.000 0.983 105 Y HN 0.027 nan 8.280 nan 0.000 0.524 106 A N 0.264 122.993 122.820 -0.152 0.000 1.978 106 A HA -0.149 4.175 4.320 0.005 0.000 0.220 106 A C 2.390 179.854 177.584 -0.200 0.000 1.170 106 A CA 1.730 53.667 52.037 -0.165 0.000 0.636 106 A CB -1.408 17.540 19.000 -0.086 0.000 0.810 106 A HN 0.568 nan 8.150 nan 0.000 0.448 107 A N -0.465 122.232 122.820 -0.206 0.000 2.019 107 A HA 0.035 4.358 4.320 0.005 0.000 0.219 107 A C 2.116 179.582 177.584 -0.196 0.000 1.164 107 A CA 1.524 53.463 52.037 -0.163 0.000 0.644 107 A CB -0.859 18.074 19.000 -0.113 0.000 0.805 107 A HN 0.408 nan 8.150 nan 0.000 0.449 108 V N -0.313 119.432 119.914 -0.282 0.000 2.317 108 V HA -0.295 3.828 4.120 0.005 0.000 0.251 108 V C 2.692 178.648 176.094 -0.230 0.000 1.065 108 V CA 2.605 64.722 62.300 -0.304 0.000 1.049 108 V CB -1.271 30.268 31.823 -0.473 0.000 0.651 108 V HN 0.613 nan 8.190 nan 0.000 0.450 109 T N -0.088 114.336 114.554 -0.218 0.000 2.857 109 T HA -0.029 4.324 4.350 0.005 0.000 0.266 109 T C 1.903 176.555 174.700 -0.080 0.000 1.048 109 T CA 1.272 63.292 62.100 -0.133 0.000 1.139 109 T CB -0.481 68.320 68.868 -0.110 0.000 0.874 109 T HN 0.637 nan 8.240 nan 0.000 0.455 110 G N 1.633 110.385 108.800 -0.079 0.000 2.446 110 G HA2 -0.209 3.754 3.960 0.005 0.000 0.217 110 G HA3 -0.209 3.754 3.960 0.005 0.000 0.217 110 G C 1.563 176.440 174.900 -0.037 0.000 1.168 110 G CA 0.586 45.662 45.100 -0.041 0.000 0.771 110 G HN 0.384 nan 8.290 nan 0.000 0.551 111 E N 0.631 120.784 120.200 -0.079 0.000 2.072 111 E HA -0.069 4.284 4.350 0.005 0.000 0.191 111 E C 2.811 179.366 176.600 -0.074 0.000 0.985 111 E CA 0.974 57.323 56.400 -0.084 0.000 0.801 111 E CB -0.703 28.908 29.700 -0.148 0.000 0.750 111 E HN 0.375 nan 8.360 nan 0.000 0.452 112 G N 1.364 110.113 108.800 -0.085 0.000 2.422 112 G HA2 -0.311 3.652 3.960 0.005 0.000 0.218 112 G HA3 -0.311 3.652 3.960 0.005 0.000 0.218 112 G C 1.780 176.662 174.900 -0.029 0.000 1.146 112 G CA 0.861 45.916 45.100 -0.075 0.000 0.769 112 G HN 0.152 nan 8.290 nan 0.000 0.547 113 R N 0.108 120.623 120.500 0.026 0.000 2.091 113 R HA 0.057 4.400 4.340 0.005 0.000 0.238 113 R C 2.686 179.071 176.300 0.142 0.000 1.136 113 R CA 1.575 57.763 56.100 0.146 0.000 0.959 113 R CB -0.423 29.937 30.300 0.100 0.000 0.856 113 R HN 0.414 nan 8.270 nan 0.000 0.437 114 M N -0.884 118.745 119.600 0.049 0.000 2.132 114 M HA -0.065 4.419 4.480 0.005 0.000 0.263 114 M C 2.295 178.578 176.300 -0.028 0.000 1.065 114 M CA 1.795 57.104 55.300 0.015 0.000 1.122 114 M CB -0.348 32.253 32.600 0.002 0.000 1.365 114 M HN 0.294 nan 8.290 nan 0.000 0.411 115 A N 0.285 123.070 122.820 -0.059 0.000 1.972 115 A HA -0.191 4.132 4.320 0.005 0.000 0.219 115 A C 2.158 179.667 177.584 -0.125 0.000 1.169 115 A CA 1.932 53.912 52.037 -0.094 0.000 0.635 115 A CB -0.496 18.435 19.000 -0.114 0.000 0.810 115 A HN 0.380 nan 8.150 nan 0.000 0.446 116 R N -1.587 118.797 120.500 -0.194 0.000 2.090 116 R HA 0.154 4.497 4.340 0.005 0.000 0.219 116 R C 0.927 176.984 176.300 -0.405 0.000 1.100 116 R CA 1.463 57.310 56.100 -0.423 0.000 0.991 116 R CB -0.566 29.297 30.300 -0.728 0.000 0.893 116 R HN 0.400 nan 8.270 nan 0.000 0.443 117 F N -0.233 119.738 119.950 0.034 0.000 2.704 117 F HA 0.427 4.957 4.527 0.005 0.000 0.304 117 F C 0.698 176.550 175.800 0.086 0.000 1.094 117 F CA -0.143 57.928 58.000 0.117 0.000 1.275 117 F CB 0.059 39.083 39.000 0.039 0.000 1.073 117 F HN -0.125 nan 8.300 nan 0.000 0.586 118 S N 0.885 116.624 115.700 0.066 0.000 2.549 118 S HA 0.063 4.536 4.470 0.005 0.000 0.283 118 S C 1.288 175.607 174.600 -0.468 0.000 1.320 118 S CA -0.304 57.757 58.200 -0.231 0.000 1.058 118 S CB 0.640 63.688 63.200 -0.253 0.000 0.882 118 S HN 0.287 nan 8.310 nan 0.000 0.498 119 K N 2.687 122.503 120.400 -0.974 0.000 2.486 119 K HA 0.115 4.438 4.320 0.005 0.000 0.194 119 K C 0.524 176.732 176.600 -0.654 0.000 1.033 119 K CA 0.316 55.865 56.287 -1.230 0.000 1.004 119 K CB 0.076 31.591 32.500 -1.642 0.000 0.798 119 K HN 0.611 nan 8.250 nan 0.000 0.495 120 A N 2.092 124.611 122.820 -0.502 0.000 2.269 120 A HA 0.260 4.583 4.320 0.005 0.000 0.302 120 A C -2.004 175.448 177.584 -0.221 0.000 1.266 120 A CA -1.529 50.370 52.037 -0.230 0.000 0.894 120 A CB 0.522 19.295 19.000 -0.378 0.000 1.147 120 A HN -0.081 nan 8.150 nan 0.000 0.537 121 P HA -0.136 nan 4.420 nan 0.000 0.215 121 P C 1.730 179.043 177.300 0.022 0.000 1.153 121 P CA 1.932 65.031 63.100 -0.001 0.000 0.853 121 P CB 0.211 31.949 31.700 0.065 0.000 0.788 122 G N -0.378 108.483 108.800 0.102 0.000 2.422 122 G HA2 -0.292 3.671 3.960 0.005 0.000 0.218 122 G HA3 -0.292 3.671 3.960 0.005 0.000 0.218 122 G C 1.702 176.699 174.900 0.163 0.000 1.146 122 G CA 0.766 46.014 45.100 0.246 0.000 0.769 122 G HN 0.255 nan 8.290 nan 0.000 0.547 123 N N 0.925 119.500 118.700 -0.208 0.000 2.084 123 N HA -0.073 4.670 4.740 0.005 0.000 0.190 123 N C 2.299 177.760 175.510 -0.081 0.000 1.030 123 N CA 0.983 53.886 53.050 -0.245 0.000 0.849 123 N CB -0.349 37.721 38.487 -0.696 0.000 1.012 123 N HN 0.294 nan 8.380 nan 0.000 0.423 124 R N -0.183 120.254 120.500 -0.106 0.000 2.105 124 R HA -0.040 4.303 4.340 0.005 0.000 0.239 124 R C 1.504 177.769 176.300 -0.059 0.000 1.135 124 R CA 1.345 57.402 56.100 -0.071 0.000 0.967 124 R CB -0.303 29.963 30.300 -0.056 0.000 0.861 124 R HN 0.339 nan 8.270 nan 0.000 0.442 125 N N 0.140 118.831 118.700 -0.016 0.000 2.135 125 N HA -0.052 4.691 4.740 0.005 0.000 0.186 125 N C 1.717 177.233 175.510 0.010 0.000 1.027 125 N CA 1.111 54.137 53.050 -0.039 0.000 0.849 125 N CB -0.108 38.412 38.487 0.055 0.000 1.002 125 N HN 0.064 nan 8.380 nan 0.000 0.425 126 M N 0.684 120.399 119.600 0.191 0.000 2.213 126 M HA 0.040 4.523 4.480 0.005 0.000 0.263 126 M C 1.947 178.351 176.300 0.174 0.000 1.062 126 M CA 0.715 56.200 55.300 0.308 0.000 1.105 126 M CB -1.243 31.557 32.600 0.334 0.000 1.385 126 M HN 0.111 nan 8.290 nan 0.000 0.417 127 A N -0.428 122.428 122.820 0.060 0.000 2.015 127 A HA -0.091 4.232 4.320 0.005 0.000 0.219 127 A C 2.303 179.831 177.584 -0.093 0.000 1.163 127 A CA 1.848 53.879 52.037 -0.010 0.000 0.646 127 A CB -0.896 18.087 19.000 -0.028 0.000 0.806 127 A HN 0.461 nan 8.150 nan 0.000 0.448 128 T N -0.368 114.080 114.554 -0.177 0.000 2.777 128 T HA -0.079 4.274 4.350 0.005 0.000 0.266 128 T C 1.439 175.922 174.700 -0.362 0.000 1.040 128 T CA 1.534 63.450 62.100 -0.307 0.000 1.141 128 T CB -0.411 68.198 68.868 -0.431 0.000 0.868 128 T HN 0.433 nan 8.240 nan 0.000 0.444 129 F N 1.569 121.415 119.950 -0.174 0.000 2.186 129 F HA 0.129 4.659 4.527 0.005 0.000 0.299 129 F C 2.645 178.350 175.800 -0.159 0.000 1.090 129 F CA 0.543 58.348 58.000 -0.325 0.000 1.307 129 F CB -1.239 37.583 39.000 -0.297 0.000 1.019 129 F HN 0.214 nan 8.300 nan 0.000 0.489 130 G N -0.300 108.535 108.800 0.058 0.000 2.422 130 G HA2 -0.243 3.720 3.960 0.005 0.000 0.218 130 G HA3 -0.243 3.720 3.960 0.005 0.000 0.218 130 G C 1.717 176.489 174.900 -0.213 0.000 1.146 130 G CA 0.832 45.851 45.100 -0.134 0.000 0.769 130 G HN 0.240 nan 8.290 nan 0.000 0.547 131 M N -0.043 119.463 119.600 -0.157 0.000 2.082 131 M HA -0.080 4.403 4.480 0.005 0.000 0.258 131 M C 2.726 178.959 176.300 -0.113 0.000 1.069 131 M CA 1.454 56.662 55.300 -0.154 0.000 1.102 131 M CB -0.326 32.191 32.600 -0.139 0.000 1.336 131 M HN 0.134 nan 8.290 nan 0.000 0.404 132 M N -0.068 119.497 119.600 -0.059 0.000 2.117 132 M HA -0.186 4.297 4.480 0.005 0.000 0.262 132 M C 1.595 177.930 176.300 0.059 0.000 1.065 132 M CA 1.657 56.981 55.300 0.041 0.000 1.114 132 M CB -1.320 31.335 32.600 0.092 0.000 1.361 132 M HN 0.202 nan 8.290 nan 0.000 0.408 133 D N 0.458 120.887 120.400 0.049 0.000 2.123 133 D HA -0.160 4.483 4.640 0.005 0.000 0.196 133 D C 1.996 177.980 176.300 -0.526 0.000 0.992 133 D CA 1.154 55.088 54.000 -0.111 0.000 0.833 133 D CB -0.188 40.652 40.800 0.066 0.000 0.954 133 D HN 0.364 nan 8.370 nan 0.000 0.455 134 E N 0.204 120.187 120.200 -0.363 0.000 2.158 134 E HA -0.082 4.271 4.350 0.005 0.000 0.191 134 E C 2.261 178.789 176.600 -0.120 0.000 0.982 134 E CA -0.022 56.200 56.400 -0.297 0.000 0.823 134 E CB -0.347 29.222 29.700 -0.218 0.000 0.766 134 E HN 0.210 nan 8.360 nan 0.000 0.468 135 L N 1.952 123.133 121.223 -0.070 0.000 2.013 135 L HA -0.204 4.139 4.340 0.005 0.000 0.212 135 L C 2.582 179.516 176.870 0.107 0.000 1.073 135 L CA 1.887 56.771 54.840 0.074 0.000 0.753 135 L CB -0.454 41.652 42.059 0.080 0.000 0.890 135 L HN -0.004 nan 8.230 nan 0.000 0.432 136 R N -1.324 119.204 120.500 0.046 0.000 2.094 136 R HA -0.227 4.116 4.340 0.005 0.000 0.239 136 R C 2.313 178.739 176.300 0.211 0.000 1.137 136 R CA 2.324 58.492 56.100 0.114 0.000 0.943 136 R CB -0.596 29.760 30.300 0.093 0.000 0.850 136 R HN 0.638 nan 8.270 nan 0.000 0.433 137 H N -1.772 117.361 119.070 0.104 0.000 2.389 137 H HA -0.027 4.532 4.556 0.005 0.000 0.299 137 H C 2.058 177.471 175.328 0.142 0.000 1.081 137 H CA 0.456 56.563 56.048 0.099 0.000 1.345 137 H CB -0.113 29.692 29.762 0.072 0.000 1.393 137 H HN 0.488 nan 8.280 nan 0.000 0.520 138 G N 0.665 109.629 108.800 0.273 0.000 2.418 138 G HA2 -0.257 3.706 3.960 0.005 0.000 0.217 138 G HA3 -0.257 3.706 3.960 0.005 0.000 0.217 138 G C 1.495 176.535 174.900 0.233 0.000 1.158 138 G CA 0.590 45.837 45.100 0.246 0.000 0.771 138 G HN 0.410 nan 8.290 nan 0.000 0.545 139 Q N -0.347 119.592 119.800 0.232 0.000 2.083 139 Q HA 0.124 4.467 4.340 0.005 0.000 0.198 139 Q C 2.710 178.891 176.000 0.303 0.000 0.969 139 Q CA 0.532 56.474 55.803 0.232 0.000 0.838 139 Q CB -0.195 28.662 28.738 0.199 0.000 0.900 139 Q HN 0.420 nan 8.270 nan 0.000 0.436 140 L N 0.548 121.932 121.223 0.267 0.000 2.012 140 L HA -0.242 4.101 4.340 0.005 0.000 0.210 140 L C 2.120 179.177 176.870 0.311 0.000 1.073 140 L CA 1.440 56.419 54.840 0.231 0.000 0.748 140 L CB -0.194 41.854 42.059 -0.018 0.000 0.891 140 L HN 0.253 nan 8.230 nan 0.000 0.431 141 Q N -0.800 119.182 119.800 0.302 0.000 2.403 141 Q HA 0.023 4.366 4.340 0.005 0.000 0.203 141 Q C 1.998 178.193 176.000 0.325 0.000 0.932 141 Q CA 0.287 56.338 55.803 0.414 0.000 0.945 141 Q CB 0.357 29.391 28.738 0.494 0.000 1.045 141 Q HN 0.534 nan 8.270 nan 0.000 0.511 142 L N -1.329 120.068 121.223 0.291 0.000 2.200 142 L HA 0.004 4.347 4.340 0.005 0.000 0.200 142 L C 1.895 178.917 176.870 0.253 0.000 1.072 142 L CA 0.499 55.484 54.840 0.242 0.000 0.787 142 L CB -0.240 41.950 42.059 0.218 0.000 0.957 142 L HN 0.199 nan 8.230 nan 0.000 0.459 143 F N 0.299 120.371 119.950 0.203 0.000 2.126 143 F HA -0.272 4.259 4.527 0.006 0.000 0.299 143 F C 2.202 178.119 175.800 0.195 0.000 1.096 143 F CA 1.617 59.740 58.000 0.205 0.000 1.255 143 F CB -0.100 39.101 39.000 0.335 0.000 0.997 143 F HN -0.116 nan 8.300 nan 0.000 0.479 144 F N 1.105 121.177 119.950 0.203 0.000 2.075 144 F HA -0.100 4.430 4.527 0.005 0.000 0.297 144 F C -0.263 175.366 175.800 -0.285 0.000 1.113 144 F CA 1.241 59.259 58.000 0.031 0.000 1.218 144 F CB -2.385 36.719 39.000 0.174 0.000 0.984 144 F HN -0.001 nan 8.300 nan 0.000 0.472 145 P HA -0.177 nan 4.420 nan 0.000 0.225 145 P C 1.607 178.758 177.300 -0.248 0.000 1.156 145 P CA 1.540 64.421 63.100 -0.363 0.000 0.787 145 P CB -0.417 31.063 31.700 -0.367 0.000 0.802 146 H N 2.262 121.168 119.070 -0.274 0.000 2.390 146 H HA -0.178 4.381 4.556 0.005 0.000 0.298 146 H C 1.750 176.851 175.328 -0.379 0.000 1.106 146 H CA 2.258 58.145 56.048 -0.269 0.000 1.297 146 H CB -0.032 29.545 29.762 -0.308 0.000 1.375 146 H HN 0.274 nan 8.280 nan 0.000 0.509 147 E N -0.370 119.530 120.200 -0.500 0.000 2.265 147 E HA -0.201 4.152 4.350 0.005 0.000 0.196 147 E C 1.207 177.398 176.600 -0.681 0.000 0.996 147 E CA 1.215 57.246 56.400 -0.614 0.000 0.832 147 E CB -0.449 28.832 29.700 -0.698 0.000 0.756 147 E HN 0.479 nan 8.360 nan 0.000 0.491 148 Y N 0.231 120.244 120.300 -0.477 0.000 2.511 148 Y HA 0.115 4.668 4.550 0.005 0.000 0.279 148 Y C 2.169 177.872 175.900 -0.329 0.000 1.157 148 Y CA -0.883 56.868 58.100 -0.581 0.000 1.300 148 Y CB -0.432 37.291 38.460 -1.228 0.000 1.052 148 Y HN 0.212 nan 8.280 nan 0.000 0.529 149 C N 1.086 120.289 119.300 -0.161 0.000 2.375 149 C HA -0.284 4.179 4.460 0.005 0.000 0.274 149 C C 2.625 177.568 174.990 -0.078 0.000 1.190 149 C CA 2.036 61.000 59.018 -0.090 0.000 1.775 149 C CB -1.027 26.542 27.740 -0.284 0.000 2.067 149 C HN 0.632 nan 8.230 nan 0.000 0.463 150 K N 0.629 120.937 120.400 -0.154 0.000 2.439 150 K HA -0.065 4.258 4.320 0.005 0.000 0.197 150 K C 1.618 178.170 176.600 -0.080 0.000 1.041 150 K CA 1.140 57.361 56.287 -0.109 0.000 0.970 150 K CB -0.190 32.233 32.500 -0.128 0.000 0.773 150 K HN 0.490 nan 8.250 nan 0.000 0.479 151 K N 0.083 120.415 120.400 -0.112 0.000 2.242 151 K HA 0.035 4.358 4.320 0.005 0.000 0.200 151 K C -0.135 176.449 176.600 -0.027 0.000 1.050 151 K CA 0.437 56.614 56.287 -0.182 0.000 0.981 151 K CB 0.337 32.463 32.500 -0.622 0.000 0.795 151 K HN 0.128 nan 8.250 nan 0.000 0.477 152 D N -0.229 120.230 120.400 0.099 0.000 2.688 152 D HA 0.120 4.763 4.640 0.005 0.000 0.210 152 D C 0.034 176.503 176.300 0.280 0.000 1.333 152 D CA -0.140 54.007 54.000 0.245 0.000 0.920 152 D CB 1.036 42.090 40.800 0.423 0.000 1.554 152 D HN -0.164 nan 8.370 nan 0.000 0.579 153 R N 1.505 122.140 120.500 0.225 0.000 2.241 153 R HA -0.082 4.261 4.340 0.005 0.000 0.224 153 R C 1.692 178.205 176.300 0.356 0.000 1.101 153 R CA 1.054 57.303 56.100 0.249 0.000 0.995 153 R CB 0.243 30.676 30.300 0.222 0.000 0.870 153 R HN 0.504 nan 8.270 nan 0.000 0.463 154 Q N -0.472 119.518 119.800 0.316 0.000 2.291 154 Q HA -0.120 4.223 4.340 0.005 0.000 0.206 154 Q C 1.219 177.403 176.000 0.307 0.000 0.976 154 Q CA 1.069 57.064 55.803 0.319 0.000 0.875 154 Q CB -0.011 28.806 28.738 0.133 0.000 0.927 154 Q HN 0.311 nan 8.270 nan 0.000 0.450 155 F N 0.687 120.838 119.950 0.335 0.000 2.451 155 F HA -0.127 4.403 4.527 0.005 0.000 0.299 155 F C 1.744 177.691 175.800 0.245 0.000 1.101 155 F CA 0.990 59.164 58.000 0.290 0.000 1.436 155 F CB -0.114 39.023 39.000 0.228 0.000 1.074 155 F HN 0.088 nan 8.300 nan 0.000 0.553 156 D N -1.120 119.502 120.400 0.369 0.000 2.263 156 D HA -0.226 4.418 4.640 0.005 0.000 0.208 156 D C 1.657 178.048 176.300 0.150 0.000 0.971 156 D CA 1.067 55.200 54.000 0.222 0.000 0.867 156 D CB -0.210 40.663 40.800 0.122 0.000 0.929 156 D HN 0.283 nan 8.370 nan 0.000 0.492 157 W N 0.503 121.795 121.300 -0.013 0.000 2.800 157 W HA 0.270 4.933 4.660 0.005 0.000 0.249 157 W C 2.344 178.699 176.519 -0.273 0.000 1.294 157 W CA 0.576 57.726 57.345 -0.325 0.000 1.402 157 W CB -0.386 28.584 29.460 -0.816 0.000 1.126 157 W HN -0.016 nan 8.180 nan 0.000 0.652 158 A N -0.427 122.511 122.820 0.198 0.000 1.948 158 A HA -0.253 4.070 4.320 0.005 0.000 0.220 158 A C 1.684 179.375 177.584 0.178 0.000 1.177 158 A CA 1.867 54.051 52.037 0.244 0.000 0.636 158 A CB -1.149 18.048 19.000 0.327 0.000 0.815 158 A HN 0.530 nan 8.150 nan 0.000 0.449 159 W N -0.444 120.867 121.300 0.019 0.000 2.574 159 W HA 0.111 4.773 4.660 0.004 0.000 0.282 159 W C 2.292 178.797 176.519 -0.024 0.000 1.197 159 W CA 1.039 58.382 57.345 -0.002 0.000 1.376 159 W CB -0.035 29.412 29.460 -0.021 0.000 1.091 159 W HN 0.184 nan 8.180 nan 0.000 0.569 160 R N 0.498 120.812 120.500 -0.310 0.000 2.119 160 R HA -0.033 4.310 4.340 0.005 0.000 0.222 160 R C 2.224 178.096 176.300 -0.714 0.000 1.088 160 R CA 1.215 56.855 56.100 -0.768 0.000 0.984 160 R CB -0.508 29.289 30.300 -0.837 0.000 0.884 160 R HN 0.201 nan 8.270 nan 0.000 0.447 161 A N 0.487 123.013 122.820 -0.491 0.000 1.884 161 A HA -0.230 4.093 4.320 0.005 0.000 0.219 161 A C 1.735 179.186 177.584 -0.223 0.000 1.197 161 A CA 1.495 53.342 52.037 -0.318 0.000 0.637 161 A CB -0.936 17.741 19.000 -0.539 0.000 0.827 161 A HN 0.449 nan 8.150 nan 0.000 0.450 162 Y N -0.394 119.679 120.300 -0.377 0.000 2.497 162 Y HA -0.115 4.438 4.550 0.005 0.000 0.292 162 Y C 2.157 177.761 175.900 -0.494 0.000 1.137 162 Y CA 1.185 59.070 58.100 -0.358 0.000 1.285 162 Y CB -0.288 37.959 38.460 -0.355 0.000 0.991 162 Y HN 0.496 nan 8.280 nan 0.000 0.556 163 H N -1.131 117.737 119.070 -0.337 0.000 2.539 163 H HA 0.189 4.748 4.556 0.006 0.000 0.267 163 H C 0.893 176.042 175.328 -0.299 0.000 0.982 163 H CA 0.651 56.482 56.048 -0.362 0.000 1.146 163 H CB 0.177 29.572 29.762 -0.611 0.000 1.382 163 H HN 0.244 nan 8.280 nan 0.000 0.577 164 S N 0.021 115.601 115.700 -0.199 0.000 2.739 164 S HA 0.246 4.719 4.470 0.005 0.000 0.306 164 S C 0.615 175.156 174.600 -0.097 0.000 1.115 164 S CA -0.934 57.166 58.200 -0.166 0.000 0.985 164 S CB 1.842 64.947 63.200 -0.159 0.000 1.133 164 S HN 0.082 nan 8.310 nan 0.000 0.541 165 N N 1.103 119.737 118.700 -0.110 0.000 2.320 165 N HA 0.155 4.898 4.740 0.005 0.000 0.237 165 N C -0.254 175.322 175.510 0.110 0.000 1.129 165 N CA -0.119 52.903 53.050 -0.047 0.000 0.854 165 N CB 0.167 38.470 38.487 -0.306 0.000 1.083 165 N HN 0.691 nan 8.380 nan 0.000 0.504 166 E N 1.182 121.460 120.200 0.130 0.000 2.398 166 E HA -0.080 4.273 4.350 0.005 0.000 0.263 166 E C 1.161 177.836 176.600 0.126 0.000 1.046 166 E CA -0.410 56.098 56.400 0.180 0.000 0.908 166 E CB 0.698 30.506 29.700 0.181 0.000 0.963 166 E HN 0.338 nan 8.360 nan 0.000 0.431 167 W N 4.062 125.461 121.300 0.165 0.000 2.338 167 W HA -0.180 4.483 4.660 0.004 0.000 0.304 167 W C 1.220 177.788 176.519 0.082 0.000 1.212 167 W CA 1.141 58.543 57.345 0.094 0.000 1.264 167 W CB -1.046 28.424 29.460 0.016 0.000 1.142 167 W HN 0.509 nan 8.180 nan 0.000 0.512 168 A N 1.705 123.857 122.820 -1.115 0.000 1.969 168 A HA 0.098 4.421 4.320 0.005 0.000 0.218 168 A C 2.348 179.791 177.584 -0.235 0.000 1.169 168 A CA 2.595 54.076 52.037 -0.926 0.000 0.635 168 A CB -1.079 17.150 19.000 -1.286 0.000 0.810 168 A HN 0.384 nan 8.150 nan 0.000 0.445 169 A N -0.188 122.597 122.820 -0.058 0.000 1.969 169 A HA -0.006 4.317 4.320 0.005 0.000 0.218 169 A C 2.065 179.570 177.584 -0.131 0.000 1.169 169 A CA 1.355 53.331 52.037 -0.102 0.000 0.635 169 A CB -0.492 18.469 19.000 -0.066 0.000 0.810 169 A HN 0.482 nan 8.150 nan 0.000 0.445 170 I N -0.466 120.105 120.570 0.001 0.000 2.353 170 I HA -0.220 3.953 4.170 0.005 0.000 0.248 170 I C 2.919 179.094 176.117 0.096 0.000 1.119 170 I CA 0.844 62.197 61.300 0.089 0.000 1.417 170 I CB -0.217 37.898 38.000 0.193 0.000 1.078 170 I HN 0.361 nan 8.210 nan 0.000 0.421 171 A N 0.768 123.626 122.820 0.064 0.000 1.902 171 A HA -0.169 4.154 4.320 0.005 0.000 0.217 171 A C 2.535 180.111 177.584 -0.012 0.000 1.181 171 A CA 1.841 53.901 52.037 0.039 0.000 0.623 171 A CB -0.791 18.232 19.000 0.038 0.000 0.818 171 A HN 0.417 nan 8.150 nan 0.000 0.443 172 A N -0.205 122.568 122.820 -0.079 0.000 1.877 172 A HA -0.156 4.167 4.320 0.005 0.000 0.216 172 A C 2.128 179.710 177.584 -0.004 0.000 1.186 172 A CA 1.817 53.797 52.037 -0.096 0.000 0.620 172 A CB -0.426 18.544 19.000 -0.051 0.000 0.822 172 A HN 0.530 nan 8.150 nan 0.000 0.443 173 K N -1.440 118.944 120.400 -0.026 0.000 2.155 173 K HA -0.127 4.197 4.320 0.005 0.000 0.203 173 K C 2.118 178.774 176.600 0.094 0.000 1.052 173 K CA 1.093 57.424 56.287 0.073 0.000 0.948 173 K CB -0.291 32.210 32.500 0.002 0.000 0.728 173 K HN 0.660 nan 8.250 nan 0.000 0.448 174 H N 0.146 119.219 119.070 0.005 0.000 2.389 174 H HA -0.135 4.424 4.556 0.005 0.000 0.299 174 H C 1.883 177.217 175.328 0.010 0.000 1.081 174 H CA 1.490 57.529 56.048 -0.016 0.000 1.345 174 H CB -0.038 29.692 29.762 -0.053 0.000 1.393 174 H HN 0.152 nan 8.280 nan 0.000 0.520 175 F N 0.669 120.596 119.950 -0.038 0.000 2.084 175 F HA -0.160 4.370 4.527 0.005 0.000 0.296 175 F C 1.955 177.605 175.800 -0.250 0.000 1.111 175 F CA 1.320 59.195 58.000 -0.207 0.000 1.224 175 F CB -0.839 37.898 39.000 -0.439 0.000 0.991 175 F HN -0.008 nan 8.300 nan 0.000 0.471 176 F N 1.037 120.893 119.950 -0.156 0.000 2.234 176 F HA -0.114 4.415 4.527 0.005 0.000 0.299 176 F C 2.227 177.892 175.800 -0.224 0.000 1.087 176 F CA 1.280 59.115 58.000 -0.275 0.000 1.340 176 F CB -1.148 37.856 39.000 0.007 0.000 1.031 176 F HN 0.004 nan 8.300 nan 0.000 0.500 177 D N -0.331 120.074 120.400 0.007 0.000 2.219 177 D HA -0.145 4.499 4.640 0.005 0.000 0.205 177 D C 1.886 178.104 176.300 -0.137 0.000 0.970 177 D CA 1.092 55.064 54.000 -0.048 0.000 0.851 177 D CB -0.302 40.473 40.800 -0.041 0.000 0.943 177 D HN 0.230 nan 8.370 nan 0.000 0.488 178 D N 0.129 120.407 120.400 -0.203 0.000 2.162 178 D HA -0.052 4.591 4.640 0.005 0.000 0.205 178 D C 2.058 178.244 176.300 -0.190 0.000 0.964 178 D CA 0.534 54.423 54.000 -0.185 0.000 0.847 178 D CB 0.160 40.903 40.800 -0.095 0.000 0.988 178 D HN 0.369 nan 8.370 nan 0.000 0.480 179 I N -2.665 117.709 120.570 -0.328 0.000 3.228 179 I HA 0.198 4.371 4.170 0.005 0.000 0.279 179 I C 1.776 177.804 176.117 -0.149 0.000 1.221 179 I CA 0.307 61.444 61.300 -0.271 0.000 1.458 179 I CB 0.156 37.870 38.000 -0.476 0.000 1.105 179 I HN -0.094 nan 8.210 nan 0.000 0.445 180 I N 1.223 121.715 120.570 -0.130 0.000 3.132 180 I HA -0.013 4.160 4.170 0.005 0.000 0.255 180 I C 2.165 178.255 176.117 -0.045 0.000 1.118 180 I CA 1.357 62.626 61.300 -0.052 0.000 1.463 180 I CB -0.062 37.928 38.000 -0.017 0.000 1.356 180 I HN 0.309 nan 8.210 nan 0.000 0.463 181 T N -2.659 111.867 114.554 -0.047 0.000 3.023 181 T HA 0.189 4.542 4.350 0.005 0.000 0.253 181 T C 1.389 176.056 174.700 -0.054 0.000 1.038 181 T CA 0.468 62.544 62.100 -0.040 0.000 0.962 181 T CB 0.349 69.203 68.868 -0.023 0.000 1.018 181 T HN 0.297 nan 8.240 nan 0.000 0.521 182 G N 0.652 109.405 108.800 -0.078 0.000 3.453 182 G HA2 0.455 4.419 3.960 0.005 0.000 0.263 182 G HA3 0.455 4.419 3.960 0.005 0.000 0.263 182 G C 0.300 175.132 174.900 -0.114 0.000 1.060 182 G CA -0.667 44.372 45.100 -0.101 0.000 0.793 182 G HN 0.363 nan 8.290 nan 0.000 0.532 183 R N -0.017 120.426 120.500 -0.095 0.000 2.855 183 R HA 0.390 4.733 4.340 0.005 0.000 0.266 183 R C -0.997 175.252 176.300 -0.086 0.000 1.034 183 R CA -0.827 55.216 56.100 -0.095 0.000 0.944 183 R CB 1.183 31.438 30.300 -0.076 0.000 1.219 183 R HN 0.293 nan 8.270 nan 0.000 0.474 184 D N 0.019 120.360 120.400 -0.097 0.000 2.363 184 D HA 0.138 4.782 4.640 0.005 0.000 0.240 184 D C 0.887 177.159 176.300 -0.048 0.000 1.236 184 D CA -0.185 53.749 54.000 -0.110 0.000 0.927 184 D CB 0.617 41.338 40.800 -0.133 0.000 1.150 184 D HN 0.488 nan 8.370 nan 0.000 0.458 185 A N 0.690 123.493 122.820 -0.028 0.000 1.908 185 A HA -0.163 4.160 4.320 0.005 0.000 0.218 185 A C 2.162 179.755 177.584 0.015 0.000 1.181 185 A CA 1.083 53.130 52.037 0.016 0.000 0.627 185 A CB -0.778 18.247 19.000 0.041 0.000 0.818 185 A HN 0.646 nan 8.150 nan 0.000 0.445 186 I N 0.132 120.701 120.570 -0.002 0.000 2.315 186 I HA -0.143 4.030 4.170 0.005 0.000 0.248 186 I C 2.537 178.710 176.117 0.093 0.000 1.117 186 I CA 1.561 62.896 61.300 0.059 0.000 1.404 186 I CB -1.479 36.573 38.000 0.087 0.000 1.071 186 I HN 0.224 nan 8.210 nan 0.000 0.419 187 S N 0.755 116.489 115.700 0.057 0.000 2.368 187 S HA -0.121 4.353 4.470 0.005 0.000 0.225 187 S C 2.265 176.920 174.600 0.093 0.000 1.030 187 S CA 1.115 59.358 58.200 0.071 0.000 0.999 187 S CB -0.314 62.900 63.200 0.023 0.000 0.844 187 S HN 0.242 nan 8.310 nan 0.000 0.459 188 V N 2.152 122.108 119.914 0.068 0.000 2.287 188 V HA -0.248 3.876 4.120 0.005 0.000 0.248 188 V C 2.685 178.866 176.094 0.145 0.000 1.053 188 V CA 1.773 64.124 62.300 0.084 0.000 1.027 188 V CB -1.334 30.520 31.823 0.053 0.000 0.646 188 V HN 0.549 nan 8.190 nan 0.000 0.447 189 A N -0.164 122.747 122.820 0.152 0.000 1.917 189 A HA -0.232 4.091 4.320 0.005 0.000 0.219 189 A C 2.166 179.919 177.584 0.282 0.000 1.182 189 A CA 2.418 54.584 52.037 0.215 0.000 0.633 189 A CB -0.556 18.572 19.000 0.213 0.000 0.819 189 A HN 0.552 nan 8.150 nan 0.000 0.448 190 I N -1.495 119.233 120.570 0.264 0.000 2.339 190 I HA -0.166 4.007 4.170 0.005 0.000 0.245 190 I C 2.730 179.086 176.117 0.399 0.000 1.096 190 I CA 1.145 62.642 61.300 0.330 0.000 1.408 190 I CB -0.248 37.902 38.000 0.249 0.000 1.092 190 I HN 0.284 nan 8.210 nan 0.000 0.423 191 M N -0.279 119.499 119.600 0.297 0.000 2.160 191 M HA -0.123 4.360 4.480 0.005 0.000 0.264 191 M C 2.218 178.700 176.300 0.303 0.000 1.073 191 M CA 1.613 57.085 55.300 0.287 0.000 1.142 191 M CB -0.201 32.506 32.600 0.179 0.000 1.358 191 M HN 0.227 nan 8.290 nan 0.000 0.422 192 L N 0.066 121.444 121.223 0.259 0.000 2.056 192 L HA -0.047 4.296 4.340 0.005 0.000 0.202 192 L C 2.676 179.767 176.870 0.368 0.000 1.086 192 L CA 2.279 57.301 54.840 0.303 0.000 0.758 192 L CB -1.058 41.124 42.059 0.205 0.000 0.912 192 L HN 0.398 nan 8.230 nan 0.000 0.446 193 T N -2.691 112.060 114.554 0.329 0.000 2.857 193 T HA -0.169 4.185 4.350 0.005 0.000 0.266 193 T C 1.807 176.723 174.700 0.360 0.000 1.048 193 T CA 1.462 63.766 62.100 0.340 0.000 1.139 193 T CB -0.902 68.159 68.868 0.322 0.000 0.874 193 T HN 0.294 nan 8.240 nan 0.000 0.455 194 F N 2.150 122.268 119.950 0.279 0.000 2.092 194 F HA 0.172 4.702 4.527 0.005 0.000 0.286 194 F C 2.618 178.637 175.800 0.365 0.000 1.116 194 F CA 1.330 59.515 58.000 0.308 0.000 1.185 194 F CB -0.590 38.582 39.000 0.286 0.000 1.034 194 F HN 0.104 nan 8.300 nan 0.000 0.479 195 S N 0.564 116.395 115.700 0.218 0.000 2.343 195 S HA -0.189 4.284 4.470 0.005 0.000 0.219 195 S C 1.844 176.456 174.600 0.020 0.000 1.033 195 S CA 1.655 59.908 58.200 0.087 0.000 1.014 195 S CB -0.923 62.505 63.200 0.381 0.000 0.915 195 S HN 0.455 nan 8.310 nan 0.000 0.435 196 F N 2.008 122.027 119.950 0.116 0.000 2.149 196 F HA 0.056 4.586 4.527 0.005 0.000 0.294 196 F C 2.246 178.115 175.800 0.115 0.000 1.095 196 F CA 1.210 59.331 58.000 0.202 0.000 1.276 196 F CB -0.245 38.985 39.000 0.382 0.000 1.023 196 F HN 0.162 nan 8.300 nan 0.000 0.480 197 E N -1.131 119.150 120.200 0.136 0.000 2.299 197 E HA -0.095 4.258 4.350 0.005 0.000 0.193 197 E C 1.957 178.520 176.600 -0.062 0.000 0.998 197 E CA 1.323 57.737 56.400 0.023 0.000 0.851 197 E CB -0.131 29.684 29.700 0.191 0.000 0.795 197 E HN 0.470 nan 8.360 nan 0.000 0.492 198 T N -2.649 111.868 114.554 -0.063 0.000 3.057 198 T HA 0.119 4.472 4.350 0.005 0.000 0.254 198 T C 1.686 176.305 174.700 -0.135 0.000 1.094 198 T CA 0.590 62.673 62.100 -0.028 0.000 1.088 198 T CB 0.513 69.437 68.868 0.092 0.000 0.934 198 T HN 0.105 nan 8.240 nan 0.000 0.497 199 G N 0.176 108.671 108.800 -0.508 0.000 2.688 199 G HA2 0.237 4.200 3.960 0.005 0.000 0.214 199 G HA3 0.237 4.200 3.960 0.005 0.000 0.214 199 G C 0.927 175.383 174.900 -0.741 0.000 1.211 199 G CA -0.038 44.446 45.100 -1.026 0.000 0.853 199 G HN 0.411 nan 8.290 nan 0.000 0.591 200 F N 1.584 121.115 119.950 -0.698 0.000 2.446 200 F HA 0.104 4.635 4.527 0.006 0.000 0.292 200 F C 3.115 178.376 175.800 -0.899 0.000 1.096 200 F CA 1.434 58.887 58.000 -0.913 0.000 1.438 200 F CB -0.046 38.236 39.000 -1.196 0.000 1.107 200 F HN 0.207 nan 8.300 nan 0.000 0.546 201 T N -2.359 111.900 114.554 -0.491 0.000 2.915 201 T HA -0.161 4.192 4.350 0.005 0.000 0.269 201 T C 1.753 176.398 174.700 -0.092 0.000 1.071 201 T CA 1.234 63.254 62.100 -0.133 0.000 1.132 201 T CB -0.481 68.297 68.868 -0.149 0.000 0.878 201 T HN 0.104 nan 8.240 nan 0.000 0.479 202 N N 1.294 119.771 118.700 -0.371 0.000 2.205 202 N HA -0.048 4.696 4.740 0.005 0.000 0.186 202 N C 1.816 176.800 175.510 -0.877 0.000 1.015 202 N CA 1.189 53.800 53.050 -0.731 0.000 0.862 202 N CB -0.367 37.444 38.487 -1.128 0.000 0.986 202 N HN 0.388 nan 8.380 nan 0.000 0.429 203 M N 0.377 119.631 119.600 -0.576 0.000 2.080 203 M HA -0.159 4.324 4.480 0.005 0.000 0.260 203 M C 2.102 178.298 176.300 -0.174 0.000 1.068 203 M CA 1.510 56.595 55.300 -0.358 0.000 1.109 203 M CB -0.864 31.706 32.600 -0.049 0.000 1.342 203 M HN 0.105 nan 8.290 nan 0.000 0.405 204 Q N -0.544 119.292 119.800 0.060 0.000 2.212 204 Q HA 0.018 4.361 4.340 0.005 0.000 0.199 204 Q C 1.447 177.285 176.000 -0.270 0.000 0.950 204 Q CA 1.403 57.194 55.803 -0.019 0.000 0.863 204 Q CB 0.011 28.792 28.738 0.071 0.000 0.944 204 Q HN 0.437 nan 8.270 nan 0.000 0.465 205 F N -1.448 118.414 119.950 -0.146 0.000 2.731 205 F HA 0.263 4.793 4.527 0.005 0.000 0.298 205 F C 1.290 176.930 175.800 -0.266 0.000 1.106 205 F CA 0.253 58.131 58.000 -0.203 0.000 1.329 205 F CB 0.622 39.510 39.000 -0.187 0.000 1.100 205 F HN 0.008 nan 8.300 nan 0.000 0.592 206 L N -2.156 118.938 121.223 -0.215 0.000 2.663 206 L HA 0.305 4.649 4.340 0.005 0.000 0.218 206 L C 2.555 179.297 176.870 -0.213 0.000 1.043 206 L CA 0.707 55.421 54.840 -0.209 0.000 0.876 206 L CB -1.005 40.898 42.059 -0.260 0.000 1.263 206 L HN 0.046 nan 8.230 nan 0.000 0.486 207 G N 1.038 109.556 108.800 -0.470 0.000 2.491 207 G HA2 -0.311 3.652 3.960 0.005 0.000 0.218 207 G HA3 -0.311 3.652 3.960 0.005 0.000 0.218 207 G C 1.461 176.034 174.900 -0.545 0.000 1.180 207 G CA 1.192 45.803 45.100 -0.813 0.000 0.774 207 G HN 0.157 nan 8.290 nan 0.000 0.562 208 L N 1.307 122.358 121.223 -0.287 0.000 2.201 208 L HA 0.273 4.616 4.340 0.005 0.000 0.212 208 L C 3.030 179.944 176.870 0.073 0.000 1.105 208 L CA 1.728 56.541 54.840 -0.045 0.000 0.775 208 L CB -0.670 41.386 42.059 -0.004 0.000 0.913 208 L HN 0.253 nan 8.230 nan 0.000 0.440 209 A N -0.396 122.404 122.820 -0.033 0.000 1.908 209 A HA -0.146 4.177 4.320 0.005 0.000 0.218 209 A C 2.481 180.105 177.584 0.067 0.000 1.181 209 A CA 1.797 53.833 52.037 -0.002 0.000 0.627 209 A CB -1.093 17.876 19.000 -0.052 0.000 0.818 209 A HN 0.537 nan 8.150 nan 0.000 0.445 210 A N 0.165 123.045 122.820 0.100 0.000 1.883 210 A HA -0.216 4.108 4.320 0.005 0.000 0.217 210 A C 1.777 179.438 177.584 0.128 0.000 1.186 210 A CA 2.036 54.175 52.037 0.171 0.000 0.624 210 A CB -0.697 18.509 19.000 0.343 0.000 0.822 210 A HN 0.461 nan 8.150 nan 0.000 0.444 211 D N 0.032 120.519 120.400 0.145 0.000 2.117 211 D HA -0.052 4.591 4.640 0.005 0.000 0.197 211 D C 2.227 178.421 176.300 -0.176 0.000 0.987 211 D CA 1.555 55.594 54.000 0.066 0.000 0.829 211 D CB -0.501 40.412 40.800 0.188 0.000 0.961 211 D HN 0.429 nan 8.370 nan 0.000 0.460 212 A N 0.980 123.756 122.820 -0.073 0.000 1.908 212 A HA -0.094 4.229 4.320 0.005 0.000 0.218 212 A C 2.311 179.671 177.584 -0.374 0.000 1.181 212 A CA 2.409 54.289 52.037 -0.260 0.000 0.627 212 A CB -0.811 18.410 19.000 0.368 0.000 0.818 212 A HN 0.246 nan 8.150 nan 0.000 0.445 213 A N -0.457 122.244 122.820 -0.199 0.000 1.902 213 A HA -0.141 4.182 4.320 0.005 0.000 0.217 213 A C 1.913 179.370 177.584 -0.212 0.000 1.181 213 A CA 1.670 53.576 52.037 -0.218 0.000 0.623 213 A CB -0.451 18.600 19.000 0.085 0.000 0.818 213 A HN 0.458 nan 8.150 nan 0.000 0.443 214 E N 0.076 120.191 120.200 -0.141 0.000 2.118 214 E HA -0.148 4.205 4.350 0.005 0.000 0.195 214 E C 2.073 178.532 176.600 -0.234 0.000 0.992 214 E CA 1.273 57.599 56.400 -0.123 0.000 0.804 214 E CB -0.562 29.091 29.700 -0.079 0.000 0.741 214 E HN 0.592 nan 8.360 nan 0.000 0.458 215 A N 0.038 122.601 122.820 -0.428 0.000 2.235 215 A HA 0.230 4.553 4.320 0.005 0.000 0.208 215 A C 1.682 178.967 177.584 -0.498 0.000 1.172 215 A CA 1.064 52.761 52.037 -0.567 0.000 0.786 215 A CB -0.340 17.981 19.000 -1.131 0.000 0.804 215 A HN 0.280 nan 8.150 nan 0.000 0.479 216 G N -0.424 108.073 108.800 -0.505 0.000 2.160 216 G HA2 -0.245 3.718 3.960 0.005 0.000 0.251 216 G HA3 -0.245 3.718 3.960 0.005 0.000 0.251 216 G C -0.071 174.497 174.900 -0.553 0.000 1.008 216 G CA 0.399 45.202 45.100 -0.495 0.000 0.724 216 G HN 0.555 nan 8.290 nan 0.000 0.514 217 D N -0.344 119.694 120.400 -0.604 0.000 2.518 217 D HA 0.474 5.117 4.640 0.005 0.000 0.230 217 D C 1.117 177.316 176.300 -0.168 0.000 1.138 217 D CA -0.889 52.989 54.000 -0.203 0.000 0.964 217 D CB -0.101 40.748 40.800 0.081 0.000 1.011 217 D HN 0.272 nan 8.370 nan 0.000 0.517 218 Y N 0.709 121.105 120.300 0.160 0.000 2.395 218 Y HA -0.067 4.486 4.550 0.005 0.000 0.293 218 Y C 2.490 178.515 175.900 0.208 0.000 1.123 218 Y CA 0.632 58.822 58.100 0.150 0.000 1.227 218 Y CB -0.243 38.279 38.460 0.103 0.000 1.012 218 Y HN 0.235 nan 8.280 nan 0.000 0.552 219 T N 0.421 115.198 114.554 0.371 0.000 2.684 219 T HA -0.241 4.112 4.350 0.005 0.000 0.267 219 T C 1.634 176.614 174.700 0.467 0.000 1.036 219 T CA 1.795 64.145 62.100 0.416 0.000 1.148 219 T CB -0.591 68.528 68.868 0.419 0.000 0.863 219 T HN 0.330 nan 8.240 nan 0.000 0.436 220 F N 1.687 121.813 119.950 0.294 0.000 2.149 220 F HA 0.228 4.758 4.527 0.005 0.000 0.294 220 F C 2.427 178.295 175.800 0.113 0.000 1.095 220 F CA 0.728 58.864 58.000 0.226 0.000 1.276 220 F CB -0.755 38.404 39.000 0.265 0.000 1.023 220 F HN 0.120 nan 8.300 nan 0.000 0.480 221 A N 0.212 123.105 122.820 0.121 0.000 1.902 221 A HA -0.264 4.059 4.320 0.005 0.000 0.217 221 A C 2.016 179.586 177.584 -0.023 0.000 1.181 221 A CA 2.049 54.077 52.037 -0.014 0.000 0.623 221 A CB -1.260 17.784 19.000 0.074 0.000 0.818 221 A HN 0.543 nan 8.150 nan 0.000 0.443 222 N N -0.455 118.294 118.700 0.082 0.000 2.120 222 N HA -0.138 4.605 4.740 0.005 0.000 0.188 222 N C 1.568 177.066 175.510 -0.020 0.000 1.024 222 N CA 1.530 54.623 53.050 0.072 0.000 0.852 222 N CB -0.313 38.262 38.487 0.147 0.000 1.003 222 N HN 0.372 nan 8.380 nan 0.000 0.424 223 L N 1.047 122.228 121.223 -0.071 0.000 1.994 223 L HA -0.018 4.325 4.340 0.005 0.000 0.208 223 L C 2.012 178.729 176.870 -0.255 0.000 1.071 223 L CA 1.596 56.295 54.840 -0.235 0.000 0.745 223 L CB -0.764 41.053 42.059 -0.402 0.000 0.892 223 L HN 0.451 nan 8.230 nan 0.000 0.431 224 I N -2.321 118.040 120.570 -0.347 0.000 2.439 224 I HA -0.111 4.062 4.170 0.005 0.000 0.251 224 I C 2.366 178.433 176.117 -0.083 0.000 1.139 224 I CA 1.333 62.496 61.300 -0.228 0.000 1.438 224 I CB -0.932 36.748 38.000 -0.533 0.000 1.085 224 I HN 0.399 nan 8.210 nan 0.000 0.427 225 S N 0.588 116.223 115.700 -0.109 0.000 2.402 225 S HA -0.168 4.305 4.470 0.005 0.000 0.229 225 S C 2.169 176.732 174.600 -0.061 0.000 1.021 225 S CA 1.232 59.400 58.200 -0.054 0.000 0.974 225 S CB -0.652 62.539 63.200 -0.014 0.000 0.800 225 S HN 0.601 nan 8.310 nan 0.000 0.484 226 S N 1.577 117.233 115.700 -0.074 0.000 2.368 226 S HA 0.029 4.502 4.470 0.005 0.000 0.224 226 S C 1.809 176.346 174.600 -0.104 0.000 1.029 226 S CA 1.021 59.180 58.200 -0.068 0.000 0.988 226 S CB -0.693 62.471 63.200 -0.060 0.000 0.838 226 S HN 0.594 nan 8.310 nan 0.000 0.462 227 I N 1.114 121.573 120.570 -0.185 0.000 2.163 227 I HA -0.206 3.968 4.170 0.005 0.000 0.243 227 I C 2.802 178.678 176.117 -0.401 0.000 1.085 227 I CA 1.657 62.718 61.300 -0.399 0.000 1.347 227 I CB -0.376 37.301 38.000 -0.537 0.000 1.044 227 I HN 0.367 nan 8.210 nan 0.000 0.408 228 Q N 0.511 120.130 119.800 -0.301 0.000 2.291 228 Q HA -0.179 4.164 4.340 0.005 0.000 0.206 228 Q C 2.146 178.048 176.000 -0.163 0.000 0.976 228 Q CA 2.071 57.713 55.803 -0.269 0.000 0.875 228 Q CB -0.421 28.212 28.738 -0.174 0.000 0.927 228 Q HN 0.662 nan 8.270 nan 0.000 0.450 229 T N -2.261 112.232 114.554 -0.100 0.000 2.803 229 T HA -0.166 4.187 4.350 0.005 0.000 0.269 229 T C 1.209 175.856 174.700 -0.089 0.000 1.052 229 T CA 1.464 63.533 62.100 -0.052 0.000 1.136 229 T CB -0.264 68.596 68.868 -0.013 0.000 0.864 229 T HN 0.201 nan 8.240 nan 0.000 0.467 230 D N 1.162 121.521 120.400 -0.068 0.000 2.103 230 D HA -0.042 4.601 4.640 0.005 0.000 0.199 230 D C 2.143 178.237 176.300 -0.345 0.000 0.978 230 D CA 1.419 55.390 54.000 -0.048 0.000 0.829 230 D CB -0.463 40.489 40.800 0.254 0.000 0.981 230 D HN 0.560 nan 8.370 nan 0.000 0.464 231 E N 0.996 120.959 120.200 -0.395 0.000 2.058 231 E HA -0.151 4.202 4.350 0.005 0.000 0.194 231 E C 1.973 178.289 176.600 -0.475 0.000 0.997 231 E CA 1.461 57.470 56.400 -0.652 0.000 0.801 231 E CB -0.091 29.399 29.700 -0.351 0.000 0.746 231 E HN -0.034 nan 8.360 nan 0.000 0.450 232 S N -0.051 115.487 115.700 -0.270 0.000 2.402 232 S HA -0.226 4.247 4.470 0.005 0.000 0.233 232 S C 1.850 176.294 174.600 -0.260 0.000 1.030 232 S CA 1.425 59.545 58.200 -0.134 0.000 1.003 232 S CB -0.329 62.881 63.200 0.017 0.000 0.813 232 S HN 0.301 nan 8.310 nan 0.000 0.477 233 R N 1.019 121.151 120.500 -0.613 0.000 2.055 233 R HA -0.081 4.262 4.340 0.005 0.000 0.228 233 R C 2.478 178.582 176.300 -0.327 0.000 1.143 233 R CA 1.631 57.144 56.100 -0.978 0.000 0.945 233 R CB -0.493 29.181 30.300 -1.044 0.000 0.841 233 R HN 0.733 nan 8.270 nan 0.000 0.429 234 H N -1.364 117.641 119.070 -0.108 0.000 2.495 234 H HA 0.145 4.705 4.556 0.005 0.000 0.287 234 H C 1.527 176.904 175.328 0.082 0.000 1.033 234 H CA 0.706 56.770 56.048 0.026 0.000 1.307 234 H CB 0.019 29.816 29.762 0.060 0.000 1.401 234 H HN 0.338 nan 8.280 nan 0.000 0.555 235 A N 1.516 124.366 122.820 0.050 0.000 2.121 235 A HA -0.113 4.210 4.320 0.005 0.000 0.218 235 A C 2.050 179.767 177.584 0.221 0.000 1.154 235 A CA 0.756 52.897 52.037 0.174 0.000 0.679 235 A CB -0.213 18.835 19.000 0.080 0.000 0.795 235 A HN 0.310 nan 8.150 nan 0.000 0.458 236 Q N -0.155 119.755 119.800 0.184 0.000 2.431 236 Q HA -0.026 4.318 4.340 0.005 0.000 0.210 236 Q C 1.305 177.449 176.000 0.239 0.000 0.958 236 Q CA 0.484 56.419 55.803 0.219 0.000 0.957 236 Q CB -0.101 28.772 28.738 0.225 0.000 1.007 236 Q HN 0.803 nan 8.270 nan 0.000 0.511 237 Q N -1.106 118.867 119.800 0.288 0.000 2.311 237 Q HA -0.032 4.311 4.340 0.005 0.000 0.203 237 Q C 1.828 178.051 176.000 0.371 0.000 0.954 237 Q CA 1.030 57.053 55.803 0.366 0.000 0.885 237 Q CB 0.150 29.095 28.738 0.345 0.000 0.963 237 Q HN 0.412 nan 8.270 nan 0.000 0.471 238 G N 0.388 109.394 108.800 0.343 0.000 2.395 238 G HA2 -0.134 3.829 3.960 0.005 0.000 0.214 238 G HA3 -0.134 3.829 3.960 0.005 0.000 0.214 238 G C 1.333 176.361 174.900 0.213 0.000 1.177 238 G CA 0.588 45.900 45.100 0.354 0.000 0.794 238 G HN 0.436 nan 8.290 nan 0.000 0.532 239 G N 2.037 110.951 108.800 0.189 0.000 2.491 239 G HA2 -0.176 3.787 3.960 0.005 0.000 0.218 239 G HA3 -0.176 3.787 3.960 0.005 0.000 0.218 239 G C 0.367 175.240 174.900 -0.044 0.000 1.180 239 G CA 1.484 46.592 45.100 0.013 0.000 0.774 239 G HN 0.459 nan 8.290 nan 0.000 0.562 240 P HA -0.058 nan 4.420 nan 0.000 0.216 240 P C 2.031 179.321 177.300 -0.018 0.000 1.150 240 P CA 1.992 64.955 63.100 -0.228 0.000 0.837 240 P CB -0.212 31.042 31.700 -0.744 0.000 0.786 241 A N -0.008 122.958 122.820 0.244 0.000 1.902 241 A HA -0.134 4.189 4.320 0.005 0.000 0.217 241 A C 2.422 180.104 177.584 0.164 0.000 1.181 241 A CA 1.302 53.569 52.037 0.382 0.000 0.623 241 A CB -1.620 17.641 19.000 0.435 0.000 0.818 241 A HN 0.112 nan 8.150 nan 0.000 0.443 242 L N -0.805 120.444 121.223 0.043 0.000 2.017 242 L HA -0.286 4.058 4.340 0.005 0.000 0.208 242 L C 2.969 179.796 176.870 -0.072 0.000 1.073 242 L CA 1.785 56.587 54.840 -0.063 0.000 0.745 242 L CB -0.595 41.312 42.059 -0.255 0.000 0.894 242 L HN 0.500 nan 8.230 nan 0.000 0.432 243 Q N -0.356 119.395 119.800 -0.082 0.000 2.061 243 Q HA -0.273 4.070 4.340 0.005 0.000 0.204 243 Q C 2.329 178.281 176.000 -0.081 0.000 0.984 243 Q CA 1.681 57.432 55.803 -0.086 0.000 0.846 243 Q CB -0.301 28.383 28.738 -0.091 0.000 0.902 243 Q HN 0.445 nan 8.270 nan 0.000 0.421 244 L N 0.544 121.725 121.223 -0.069 0.000 2.012 244 L HA -0.228 4.115 4.340 0.005 0.000 0.210 244 L C 2.159 178.923 176.870 -0.177 0.000 1.073 244 L CA 1.159 55.917 54.840 -0.137 0.000 0.748 244 L CB -0.169 41.803 42.059 -0.144 0.000 0.891 244 L HN 0.253 nan 8.230 nan 0.000 0.431 245 L N -0.719 120.443 121.223 -0.101 0.000 2.012 245 L HA -0.291 4.052 4.340 0.005 0.000 0.210 245 L C 2.482 179.311 176.870 -0.069 0.000 1.073 245 L CA 1.656 56.454 54.840 -0.070 0.000 0.748 245 L CB -0.538 41.533 42.059 0.019 0.000 0.891 245 L HN 0.297 nan 8.230 nan 0.000 0.431 246 I N -0.239 120.292 120.570 -0.064 0.000 2.163 246 I HA -0.303 3.870 4.170 0.005 0.000 0.243 246 I C 2.452 178.527 176.117 -0.069 0.000 1.085 246 I CA 1.423 62.687 61.300 -0.060 0.000 1.347 246 I CB -0.327 37.634 38.000 -0.065 0.000 1.044 246 I HN 0.268 nan 8.210 nan 0.000 0.408 247 E N 0.615 120.763 120.200 -0.086 0.000 2.160 247 E HA -0.217 4.137 4.350 0.005 0.000 0.195 247 E C 0.819 177.360 176.600 -0.099 0.000 0.991 247 E CA 1.206 57.551 56.400 -0.091 0.000 0.810 247 E CB -0.202 29.434 29.700 -0.105 0.000 0.742 247 E HN 0.527 nan 8.360 nan 0.000 0.466 248 N N -0.841 117.787 118.700 -0.121 0.000 2.320 248 N HA 0.149 4.892 4.740 0.005 0.000 0.237 248 N C 0.057 175.522 175.510 -0.075 0.000 1.129 248 N CA 0.463 53.441 53.050 -0.120 0.000 0.854 248 N CB 1.427 39.798 38.487 -0.192 0.000 1.083 248 N HN 0.167 nan 8.380 nan 0.000 0.504 249 G N 0.821 109.588 108.800 -0.056 0.000 2.160 249 G HA2 -0.282 3.681 3.960 0.005 0.000 0.251 249 G HA3 -0.282 3.681 3.960 0.005 0.000 0.251 249 G C 0.459 175.347 174.900 -0.019 0.000 1.008 249 G CA 0.021 45.101 45.100 -0.034 0.000 0.724 249 G HN 0.201 nan 8.290 nan 0.000 0.514 250 K N -0.108 120.280 120.400 -0.019 0.000 2.593 250 K HA 0.263 4.586 4.320 0.005 0.000 0.208 250 K C 1.763 178.369 176.600 0.011 0.000 1.051 250 K CA -0.019 56.271 56.287 0.004 0.000 1.111 250 K CB 0.376 32.886 32.500 0.017 0.000 0.849 250 K HN 0.598 nan 8.250 nan 0.000 0.479 251 R N 1.459 121.958 120.500 -0.001 0.000 2.091 251 R HA -0.173 4.170 4.340 0.005 0.000 0.238 251 R C 1.339 177.655 176.300 0.027 0.000 1.136 251 R CA 1.830 57.931 56.100 0.002 0.000 0.959 251 R CB 0.152 30.445 30.300 -0.011 0.000 0.856 251 R HN 0.054 nan 8.270 nan 0.000 0.437 252 E N 0.278 120.497 120.200 0.033 0.000 2.051 252 E HA -0.187 4.166 4.350 0.005 0.000 0.192 252 E C 1.801 178.449 176.600 0.081 0.000 0.991 252 E CA 1.919 58.352 56.400 0.055 0.000 0.799 252 E CB 0.084 29.812 29.700 0.046 0.000 0.748 252 E HN 0.427 nan 8.360 nan 0.000 0.449 253 E N -0.081 120.159 120.200 0.067 0.000 2.077 253 E HA -0.136 4.217 4.350 0.005 0.000 0.193 253 E C 1.839 178.499 176.600 0.100 0.000 0.989 253 E CA 1.178 57.625 56.400 0.078 0.000 0.800 253 E CB -0.293 29.441 29.700 0.057 0.000 0.746 253 E HN 0.336 nan 8.360 nan 0.000 0.452 254 A N 0.759 123.630 122.820 0.086 0.000 1.877 254 A HA -0.289 4.034 4.320 0.005 0.000 0.216 254 A C 2.233 179.894 177.584 0.128 0.000 1.186 254 A CA 1.855 53.948 52.037 0.094 0.000 0.620 254 A CB -0.663 18.365 19.000 0.047 0.000 0.822 254 A HN 0.212 nan 8.150 nan 0.000 0.443 255 Q N 0.121 119.991 119.800 0.116 0.000 2.061 255 Q HA -0.186 4.157 4.340 0.005 0.000 0.204 255 Q C 1.968 178.116 176.000 0.247 0.000 0.984 255 Q CA 2.361 58.252 55.803 0.147 0.000 0.846 255 Q CB -0.295 28.507 28.738 0.108 0.000 0.902 255 Q HN 0.664 nan 8.270 nan 0.000 0.421 256 K N -0.162 120.401 120.400 0.272 0.000 2.103 256 K HA -0.161 4.162 4.320 0.005 0.000 0.207 256 K C 2.152 178.988 176.600 0.394 0.000 1.048 256 K CA 1.581 58.112 56.287 0.408 0.000 0.930 256 K CB -0.056 32.629 32.500 0.308 0.000 0.716 256 K HN 0.167 nan 8.250 nan 0.000 0.444 257 K N 0.412 120.977 120.400 0.276 0.000 2.025 257 K HA -0.088 4.235 4.320 0.005 0.000 0.207 257 K C 2.097 178.901 176.600 0.339 0.000 1.049 257 K CA 1.074 57.518 56.287 0.262 0.000 0.933 257 K CB -0.097 32.521 32.500 0.197 0.000 0.714 257 K HN -0.083 nan 8.250 nan 0.000 0.438 258 V N 2.350 122.477 119.914 0.354 0.000 2.255 258 V HA -0.291 3.832 4.120 0.005 0.000 0.247 258 V C 1.649 178.020 176.094 0.463 0.000 1.051 258 V CA 2.058 64.621 62.300 0.438 0.000 1.018 258 V CB -0.479 31.610 31.823 0.443 0.000 0.641 258 V HN 0.310 nan 8.190 nan 0.000 0.445 259 D N -0.444 120.224 120.400 0.446 0.000 2.123 259 D HA -0.205 4.439 4.640 0.005 0.000 0.196 259 D C 2.078 178.806 176.300 0.713 0.000 0.992 259 D CA 1.549 55.856 54.000 0.512 0.000 0.833 259 D CB -0.388 40.672 40.800 0.434 0.000 0.954 259 D HN 0.348 nan 8.370 nan 0.000 0.455 260 M N 0.958 120.980 119.600 0.703 0.000 2.099 260 M HA -0.083 4.401 4.480 0.005 0.000 0.262 260 M C 2.013 178.621 176.300 0.513 0.000 1.067 260 M CA 1.614 57.299 55.300 0.641 0.000 1.124 260 M CB -0.463 32.394 32.600 0.429 0.000 1.353 260 M HN -0.025 nan 8.290 nan 0.000 0.410 261 A N 0.736 123.827 122.820 0.452 0.000 1.930 261 A HA -0.105 4.218 4.320 0.005 0.000 0.217 261 A C 2.136 179.998 177.584 0.463 0.000 1.175 261 A CA 1.555 53.850 52.037 0.430 0.000 0.627 261 A CB -0.901 18.331 19.000 0.386 0.000 0.815 261 A HN 0.612 nan 8.150 nan 0.000 0.443 262 I N -1.837 119.016 120.570 0.473 0.000 2.179 262 I HA -0.272 3.901 4.170 0.005 0.000 0.242 262 I C 2.536 178.860 176.117 0.344 0.000 1.088 262 I CA 1.324 62.894 61.300 0.450 0.000 1.357 262 I CB -0.323 37.962 38.000 0.475 0.000 1.051 262 I HN 0.684 nan 8.210 nan 0.000 0.409 263 W N 2.340 123.750 121.300 0.183 0.000 2.355 263 W HA -0.190 4.473 4.660 0.005 0.000 0.309 263 W C 2.657 179.248 176.519 0.121 0.000 1.206 263 W CA 1.474 58.833 57.345 0.024 0.000 1.284 263 W CB -0.224 29.102 29.460 -0.223 0.000 1.145 263 W HN 0.081 nan 8.180 nan 0.000 0.502 264 R N 0.194 120.872 120.500 0.296 0.000 2.091 264 R HA -0.167 4.176 4.340 0.005 0.000 0.238 264 R C 2.370 178.544 176.300 -0.210 0.000 1.136 264 R CA 1.715 57.941 56.100 0.210 0.000 0.959 264 R CB -1.099 29.505 30.300 0.507 0.000 0.856 264 R HN 0.173 nan 8.270 nan 0.000 0.437 265 A N 1.390 124.100 122.820 -0.183 0.000 1.877 265 A HA -0.200 4.123 4.320 0.005 0.000 0.216 265 A C 1.960 179.118 177.584 -0.711 0.000 1.186 265 A CA 1.178 52.869 52.037 -0.577 0.000 0.620 265 A CB -1.116 17.790 19.000 -0.158 0.000 0.822 265 A HN 0.690 nan 8.150 nan 0.000 0.443 266 W N 0.857 121.617 121.300 -0.899 0.000 2.317 266 W HA -0.249 4.415 4.660 0.006 0.000 0.318 266 W C 2.015 178.345 176.519 -0.316 0.000 1.227 266 W CA 1.823 58.795 57.345 -0.621 0.000 1.269 266 W CB -0.240 29.001 29.460 -0.365 0.000 1.155 266 W HN 0.224 nan 8.180 nan 0.000 0.484 267 R N 0.414 120.424 120.500 -0.817 0.000 2.096 267 R HA -0.168 4.175 4.340 0.005 0.000 0.235 267 R C 2.128 178.180 176.300 -0.413 0.000 1.127 267 R CA 1.099 56.785 56.100 -0.690 0.000 0.968 267 R CB -1.435 28.655 30.300 -0.349 0.000 0.861 267 R HN 0.314 nan 8.270 nan 0.000 0.440 268 L N -0.088 120.870 121.223 -0.441 0.000 2.027 268 L HA -0.027 4.316 4.340 0.005 0.000 0.206 268 L C 1.980 178.636 176.870 -0.356 0.000 1.074 268 L CA 1.511 56.099 54.840 -0.421 0.000 0.745 268 L CB -0.658 41.018 42.059 -0.638 0.000 0.898 268 L HN -0.049 nan 8.230 nan 0.000 0.433 269 F N -0.398 119.348 119.950 -0.340 0.000 2.216 269 F HA -0.152 4.378 4.527 0.006 0.000 0.300 269 F C 2.449 178.179 175.800 -0.116 0.000 1.085 269 F CA 1.148 59.082 58.000 -0.110 0.000 1.326 269 F CB -0.974 38.101 39.000 0.124 0.000 1.027 269 F HN 0.159 nan 8.300 nan 0.000 0.497 270 A N -0.850 121.855 122.820 -0.191 0.000 1.972 270 A HA -0.123 4.200 4.320 0.005 0.000 0.219 270 A C 2.357 179.908 177.584 -0.056 0.000 1.169 270 A CA 1.731 53.592 52.037 -0.294 0.000 0.635 270 A CB -1.083 17.494 19.000 -0.705 0.000 0.810 270 A HN 0.242 nan 8.150 nan 0.000 0.446 271 V N -0.981 118.911 119.914 -0.036 0.000 2.649 271 V HA -0.030 4.094 4.120 0.005 0.000 0.248 271 V C 2.155 178.176 176.094 -0.122 0.000 1.054 271 V CA 1.783 64.042 62.300 -0.068 0.000 1.073 271 V CB 0.199 31.846 31.823 -0.294 0.000 0.699 271 V HN 0.580 nan 8.190 nan 0.000 0.463 272 L N -0.767 120.315 121.223 -0.234 0.000 2.185 272 L HA 0.074 4.417 4.340 0.005 0.000 0.198 272 L C 2.368 179.051 176.870 -0.312 0.000 1.079 272 L CA 2.554 57.202 54.840 -0.319 0.000 0.780 272 L CB -0.641 41.177 42.059 -0.400 0.000 0.955 272 L HN 0.268 nan 8.230 nan 0.000 0.462 273 T N -0.421 113.990 114.554 -0.238 0.000 2.937 273 T HA 0.080 4.433 4.350 0.005 0.000 0.260 273 T C 1.670 176.169 174.700 -0.334 0.000 1.051 273 T CA 0.762 62.786 62.100 -0.127 0.000 1.141 273 T CB -0.714 68.298 68.868 0.239 0.000 0.879 273 T HN 0.535 nan 8.240 nan 0.000 0.459 274 G N 2.774 111.122 108.800 -0.754 0.000 2.514 274 G HA2 -0.176 3.787 3.960 0.005 0.000 0.217 274 G HA3 -0.176 3.787 3.960 0.005 0.000 0.217 274 G C -0.743 173.894 174.900 -0.439 0.000 1.198 274 G CA 0.769 45.075 45.100 -1.323 0.000 0.780 274 G HN 0.402 nan 8.290 nan 0.000 0.565 275 P HA 0.014 nan 4.420 nan 0.000 0.218 275 P C 2.099 179.036 177.300 -0.605 0.000 1.149 275 P CA 0.467 63.402 63.100 -0.274 0.000 0.817 275 P CB -0.032 31.528 31.700 -0.232 0.000 0.785 276 V N -0.845 118.694 119.914 -0.625 0.000 2.295 276 V HA -0.258 3.865 4.120 0.005 0.000 0.246 276 V C 2.385 178.406 176.094 -0.120 0.000 1.049 276 V CA 1.963 64.002 62.300 -0.435 0.000 1.024 276 V CB -0.958 30.705 31.823 -0.265 0.000 0.648 276 V HN 0.116 nan 8.190 nan 0.000 0.447 277 M N -0.829 118.745 119.600 -0.043 0.000 2.288 277 M HA -0.085 4.398 4.480 0.005 0.000 0.266 277 M C 1.347 177.713 176.300 0.110 0.000 1.072 277 M CA 1.421 56.803 55.300 0.136 0.000 1.132 277 M CB -0.210 32.586 32.600 0.328 0.000 1.386 277 M HN 0.286 nan 8.290 nan 0.000 0.432 278 D N -1.888 118.532 120.400 0.034 0.000 2.379 278 D HA 0.063 4.706 4.640 0.005 0.000 0.208 278 D C 0.636 176.586 176.300 -0.584 0.000 1.065 278 D CA 0.747 54.696 54.000 -0.085 0.000 0.848 278 D CB 0.480 41.296 40.800 0.027 0.000 0.949 278 D HN 0.325 nan 8.370 nan 0.000 0.509 279 Y N -2.021 118.159 120.300 -0.200 0.000 2.844 279 Y HA 0.168 4.721 4.550 0.006 0.000 0.256 279 Y C 1.716 177.636 175.900 0.033 0.000 1.134 279 Y CA -0.264 57.694 58.100 -0.238 0.000 1.209 279 Y CB 0.159 38.257 38.460 -0.603 0.000 1.418 279 Y HN -0.071 nan 8.280 nan 0.000 0.459 280 Y N 0.309 120.664 120.300 0.091 0.000 2.220 280 Y HA -0.032 4.521 4.550 0.005 0.000 0.291 280 Y C 0.844 176.808 175.900 0.107 0.000 1.129 280 Y CA 0.610 58.772 58.100 0.103 0.000 1.161 280 Y CB -0.338 38.167 38.460 0.075 0.000 0.997 280 Y HN -0.170 nan 8.280 nan 0.000 0.522 281 T N 4.045 118.755 114.554 0.260 0.000 2.867 281 T HA 0.053 4.406 4.350 0.005 0.000 0.297 281 T C -2.368 172.365 174.700 0.056 0.000 0.989 281 T CA -1.021 61.219 62.100 0.233 0.000 1.159 281 T CB 0.569 69.549 68.868 0.187 0.000 0.928 281 T HN -0.064 nan 8.240 nan 0.000 0.538 282 P HA 0.007 nan 4.420 nan 0.000 0.265 282 P C 1.013 178.205 177.300 -0.179 0.000 1.187 282 P CA -0.371 62.699 63.100 -0.050 0.000 0.766 282 P CB 0.413 32.094 31.700 -0.032 0.000 0.820 283 L N 4.542 125.609 121.223 -0.259 0.000 2.051 283 L HA -0.269 4.074 4.340 0.005 0.000 0.214 283 L C 1.622 178.291 176.870 -0.335 0.000 1.076 283 L CA 2.147 56.732 54.840 -0.425 0.000 0.758 283 L CB -1.215 40.612 42.059 -0.387 0.000 0.890 283 L HN 0.340 nan 8.230 nan 0.000 0.433 284 E N -0.532 119.547 120.200 -0.202 0.000 2.333 284 E HA -0.153 4.200 4.350 0.005 0.000 0.198 284 E C 1.196 177.720 176.600 -0.127 0.000 1.007 284 E CA 1.239 57.555 56.400 -0.141 0.000 0.845 284 E CB -0.280 29.361 29.700 -0.098 0.000 0.766 284 E HN 0.580 nan 8.360 nan 0.000 0.507 285 D N 0.056 120.370 120.400 -0.144 0.000 2.363 285 D HA 0.047 4.690 4.640 0.005 0.000 0.214 285 D C -0.125 176.131 176.300 -0.073 0.000 1.093 285 D CA 0.015 53.942 54.000 -0.122 0.000 0.837 285 D CB 0.247 40.943 40.800 -0.174 0.000 0.948 285 D HN 0.048 nan 8.370 nan 0.000 0.507 286 R N 1.081 121.512 120.500 -0.114 0.000 2.325 286 R HA 0.146 4.489 4.340 0.005 0.000 0.323 286 R C 1.306 177.644 176.300 0.062 0.000 1.177 286 R CA -0.068 56.002 56.100 -0.050 0.000 1.018 286 R CB 0.822 30.930 30.300 -0.320 0.000 1.070 286 R HN -0.130 nan 8.270 nan 0.000 0.495 287 S N 2.766 118.558 115.700 0.153 0.000 2.370 287 S HA -0.138 4.335 4.470 0.005 0.000 0.226 287 S C 0.459 175.056 174.600 -0.004 0.000 1.033 287 S CA 1.424 59.698 58.200 0.123 0.000 1.011 287 S CB 0.332 63.695 63.200 0.271 0.000 0.852 287 S HN 0.593 nan 8.310 nan 0.000 0.457 288 Q N -0.126 119.623 119.800 -0.085 0.000 2.511 288 Q HA 0.391 4.734 4.340 0.005 0.000 0.289 288 Q C -0.932 175.125 176.000 0.094 0.000 1.021 288 Q CA -0.663 54.986 55.803 -0.257 0.000 0.785 288 Q CB 1.989 30.169 28.738 -0.931 0.000 1.472 288 Q HN 0.419 nan 8.270 nan 0.000 0.411 289 S N -0.326 115.461 115.700 0.145 0.000 2.600 289 S HA 0.146 4.620 4.470 0.005 0.000 0.265 289 S C 0.728 175.578 174.600 0.417 0.000 1.325 289 S CA -0.483 57.939 58.200 0.370 0.000 1.002 289 S CB 0.347 63.538 63.200 -0.014 0.000 0.921 289 S HN 0.659 nan 8.310 nan 0.000 0.554 290 F N 1.839 122.009 119.950 0.367 0.000 2.087 290 F HA -0.147 4.383 4.527 0.006 0.000 0.299 290 F C 2.405 178.348 175.800 0.238 0.000 1.100 290 F CA 2.313 60.478 58.000 0.275 0.000 1.226 290 F CB -0.482 38.505 39.000 -0.022 0.000 0.983 290 F HN 0.835 nan 8.300 nan 0.000 0.479 291 K N 0.158 120.660 120.400 0.169 0.000 2.057 291 K HA -0.200 4.123 4.320 0.005 0.000 0.206 291 K C 2.034 178.607 176.600 -0.044 0.000 1.050 291 K CA 1.830 58.119 56.287 0.003 0.000 0.935 291 K CB -0.281 32.253 32.500 0.057 0.000 0.715 291 K HN 0.397 nan 8.250 nan 0.000 0.439 292 E N -0.301 119.838 120.200 -0.102 0.000 2.077 292 E HA -0.159 4.194 4.350 0.005 0.000 0.193 292 E C 1.847 178.430 176.600 -0.028 0.000 0.989 292 E CA 1.445 57.749 56.400 -0.159 0.000 0.800 292 E CB -0.151 29.392 29.700 -0.262 0.000 0.746 292 E HN 0.314 nan 8.360 nan 0.000 0.452 293 F N 0.249 120.241 119.950 0.071 0.000 2.134 293 F HA -0.241 4.289 4.527 0.005 0.000 0.299 293 F C 2.471 178.357 175.800 0.143 0.000 1.097 293 F CA 0.478 58.585 58.000 0.179 0.000 1.264 293 F CB -0.048 39.100 39.000 0.246 0.000 1.001 293 F HN 0.052 nan 8.300 nan 0.000 0.479 294 M N -0.852 118.825 119.600 0.127 0.000 2.082 294 M HA -0.283 4.200 4.480 0.005 0.000 0.258 294 M C 2.131 178.449 176.300 0.030 0.000 1.069 294 M CA 1.893 57.169 55.300 -0.041 0.000 1.102 294 M CB -1.501 30.923 32.600 -0.294 0.000 1.336 294 M HN 0.237 nan 8.290 nan 0.000 0.404 295 Y N 0.171 120.408 120.300 -0.105 0.000 2.293 295 Y HA -0.228 4.325 4.550 0.005 0.000 0.291 295 Y C 2.630 178.488 175.900 -0.069 0.000 1.137 295 Y CA 1.503 59.548 58.100 -0.091 0.000 1.202 295 Y CB -0.214 38.176 38.460 -0.117 0.000 0.990 295 Y HN 0.407 nan 8.280 nan 0.000 0.537 296 E N -0.548 119.685 120.200 0.055 0.000 2.028 296 E HA -0.215 4.138 4.350 0.005 0.000 0.190 296 E C 1.637 178.121 176.600 -0.193 0.000 0.984 296 E CA 1.605 57.919 56.400 -0.143 0.000 0.800 296 E CB -0.350 29.194 29.700 -0.260 0.000 0.758 296 E HN 0.494 nan 8.360 nan 0.000 0.448 297 W N 0.057 121.380 121.300 0.038 0.000 2.525 297 W HA 0.059 4.723 4.660 0.006 0.000 0.288 297 W C 2.126 178.612 176.519 -0.055 0.000 1.200 297 W CA -0.322 57.017 57.345 -0.010 0.000 1.349 297 W CB 0.166 29.601 29.460 -0.043 0.000 1.102 297 W HN 0.153 nan 8.180 nan 0.000 0.558 298 I N -0.458 120.177 120.570 0.107 0.000 2.556 298 I HA -0.060 4.113 4.170 0.005 0.000 0.251 298 I C 1.952 178.169 176.117 0.167 0.000 1.105 298 I CA 1.204 62.520 61.300 0.026 0.000 1.436 298 I CB -1.400 36.495 38.000 -0.175 0.000 1.139 298 I HN 0.000 nan 8.210 nan 0.000 0.438 299 I N 0.741 121.340 120.570 0.047 0.000 2.270 299 I HA -0.034 4.139 4.170 0.005 0.000 0.239 299 I C 2.643 178.779 176.117 0.032 0.000 1.080 299 I CA 1.338 62.673 61.300 0.059 0.000 1.383 299 I CB -0.938 36.933 38.000 -0.214 0.000 1.097 299 I HN 0.164 nan 8.210 nan 0.000 0.420 300 G N -0.128 108.667 108.800 -0.009 0.000 2.408 300 G HA2 -0.256 3.707 3.960 0.005 0.000 0.217 300 G HA3 -0.256 3.707 3.960 0.005 0.000 0.217 300 G C 1.557 176.437 174.900 -0.032 0.000 1.150 300 G CA 0.683 45.766 45.100 -0.028 0.000 0.776 300 G HN 0.390 nan 8.290 nan 0.000 0.542 301 Q N -1.372 118.424 119.800 -0.006 0.000 2.252 301 Q HA 0.136 4.479 4.340 0.005 0.000 0.195 301 Q C 2.201 178.246 176.000 0.076 0.000 0.974 301 Q CA 0.145 55.961 55.803 0.021 0.000 0.846 301 Q CB -0.195 28.559 28.738 0.027 0.000 0.943 301 Q HN 0.314 nan 8.270 nan 0.000 0.516 302 F N 1.897 121.842 119.950 -0.008 0.000 2.084 302 F HA -0.124 4.406 4.527 0.006 0.000 0.296 302 F C 2.052 177.837 175.800 -0.025 0.000 1.111 302 F CA 1.540 59.517 58.000 -0.037 0.000 1.224 302 F CB -0.083 38.851 39.000 -0.110 0.000 0.991 302 F HN 0.121 nan 8.300 nan 0.000 0.471 303 E N 0.371 120.472 120.200 -0.165 0.000 2.118 303 E HA -0.254 4.099 4.350 0.005 0.000 0.195 303 E C 2.270 178.692 176.600 -0.297 0.000 0.992 303 E CA 1.146 57.362 56.400 -0.308 0.000 0.804 303 E CB -0.453 29.161 29.700 -0.142 0.000 0.741 303 E HN 0.276 nan 8.360 nan 0.000 0.458 304 R N 1.330 121.724 120.500 -0.176 0.000 2.096 304 R HA -0.100 4.243 4.340 0.005 0.000 0.235 304 R C 2.357 178.573 176.300 -0.139 0.000 1.127 304 R CA 1.896 57.914 56.100 -0.138 0.000 0.968 304 R CB -0.711 29.539 30.300 -0.083 0.000 0.861 304 R HN 0.173 nan 8.270 nan 0.000 0.440 305 S N 0.116 115.728 115.700 -0.147 0.000 2.368 305 S HA -0.169 4.304 4.470 0.005 0.000 0.225 305 S C 2.057 176.594 174.600 -0.105 0.000 1.030 305 S CA 1.249 59.394 58.200 -0.093 0.000 0.999 305 S CB -0.691 62.490 63.200 -0.031 0.000 0.844 305 S HN 0.475 nan 8.310 nan 0.000 0.459 306 L N 0.634 121.710 121.223 -0.245 0.000 2.046 306 L HA 0.053 4.396 4.340 0.005 0.000 0.208 306 L C 2.445 179.223 176.870 -0.153 0.000 1.077 306 L CA 1.518 56.265 54.840 -0.155 0.000 0.747 306 L CB -0.353 41.498 42.059 -0.346 0.000 0.896 306 L HN 0.334 nan 8.230 nan 0.000 0.432 307 I N 0.107 120.564 120.570 -0.188 0.000 2.226 307 I HA -0.315 3.858 4.170 0.005 0.000 0.245 307 I C 1.987 178.035 176.117 -0.115 0.000 1.100 307 I CA 1.675 62.881 61.300 -0.157 0.000 1.374 307 I CB -0.356 37.541 38.000 -0.171 0.000 1.057 307 I HN 0.349 nan 8.210 nan 0.000 0.413 308 D N 0.712 121.052 120.400 -0.100 0.000 2.178 308 D HA -0.131 4.512 4.640 0.005 0.000 0.201 308 D C 2.049 178.306 176.300 -0.073 0.000 0.980 308 D CA 0.971 54.927 54.000 -0.074 0.000 0.842 308 D CB 0.025 40.792 40.800 -0.056 0.000 0.948 308 D HN 0.246 nan 8.370 nan 0.000 0.472 309 L N -1.292 119.881 121.223 -0.084 0.000 2.610 309 L HA 0.196 4.539 4.340 0.005 0.000 0.232 309 L C 1.599 178.403 176.870 -0.110 0.000 1.149 309 L CA 0.554 55.333 54.840 -0.102 0.000 0.872 309 L CB -0.081 41.891 42.059 -0.146 0.000 0.992 309 L HN 0.282 nan 8.230 nan 0.000 0.447 310 G N -0.019 108.721 108.800 -0.101 0.000 2.157 310 G HA2 -0.238 3.725 3.960 0.005 0.000 0.239 310 G HA3 -0.238 3.725 3.960 0.005 0.000 0.239 310 G C 0.171 175.015 174.900 -0.094 0.000 0.982 310 G CA -0.266 44.779 45.100 -0.092 0.000 0.650 310 G HN 0.190 nan 8.290 nan 0.000 0.527 311 L N 0.514 121.672 121.223 -0.109 0.000 2.454 311 L HA 0.547 4.890 4.340 0.005 0.000 0.256 311 L C 0.196 177.000 176.870 -0.109 0.000 1.136 311 L CA -0.910 53.874 54.840 -0.093 0.000 0.804 311 L CB 0.465 42.474 42.059 -0.082 0.000 1.181 311 L HN 0.022 nan 8.230 nan 0.000 0.469 312 D N 0.270 120.611 120.400 -0.100 0.000 2.268 312 D HA 0.246 4.889 4.640 0.005 0.000 0.249 312 D C -0.377 175.799 176.300 -0.206 0.000 1.008 312 D CA -0.567 53.352 54.000 -0.136 0.000 0.939 312 D CB 1.209 41.953 40.800 -0.093 0.000 1.170 312 D HN 0.266 nan 8.370 nan 0.000 0.468 313 K N 1.687 121.902 120.400 -0.308 0.000 2.485 313 K HA 0.097 4.420 4.320 0.005 0.000 0.277 313 K C -1.995 174.392 176.600 -0.354 0.000 0.990 313 K CA -0.763 55.224 56.287 -0.500 0.000 0.994 313 K CB 0.058 32.148 32.500 -0.683 0.000 0.906 313 K HN 0.261 nan 8.250 nan 0.000 0.488 314 P HA -0.113 nan 4.420 nan 0.000 0.269 314 P C 0.800 177.794 177.300 -0.511 0.000 1.215 314 P CA -0.189 62.568 63.100 -0.571 0.000 0.780 314 P CB 0.296 31.292 31.700 -1.174 0.000 0.898 315 W N 2.892 123.905 121.300 -0.478 0.000 2.331 315 W HA -0.213 4.450 4.660 0.005 0.000 0.291 315 W C 0.954 177.367 176.519 -0.176 0.000 1.214 315 W CA 0.980 58.150 57.345 -0.291 0.000 1.228 315 W CB -1.982 27.297 29.460 -0.300 0.000 1.135 315 W HN 0.353 nan 8.180 nan 0.000 0.537 316 Y N -2.970 116.938 120.300 -0.652 0.000 2.495 316 Y HA 0.233 4.786 4.550 0.005 0.000 0.293 316 Y C 2.165 177.999 175.900 -0.109 0.000 1.186 316 Y CA -1.895 55.820 58.100 -0.641 0.000 1.266 316 Y CB -1.639 35.966 38.460 -1.425 0.000 1.101 316 Y HN 0.043 nan 8.280 nan 0.000 0.517 317 W N 2.377 123.580 121.300 -0.161 0.000 2.304 317 W HA -0.270 4.393 4.660 0.005 0.000 0.315 317 W C 0.793 177.398 176.519 0.144 0.000 1.233 317 W CA 2.228 59.593 57.345 0.034 0.000 1.261 317 W CB -0.003 29.432 29.460 -0.042 0.000 1.150 317 W HN 0.283 nan 8.180 nan 0.000 0.494 318 D N 0.329 120.823 120.400 0.156 0.000 2.144 318 D HA -0.165 4.478 4.640 0.005 0.000 0.200 318 D C 2.289 178.611 176.300 0.037 0.000 0.978 318 D CA 1.302 55.330 54.000 0.047 0.000 0.833 318 D CB -0.624 40.232 40.800 0.093 0.000 0.961 318 D HN 0.278 nan 8.370 nan 0.000 0.470 319 L N 0.103 121.386 121.223 0.101 0.000 2.012 319 L HA -0.194 4.149 4.340 0.005 0.000 0.210 319 L C 2.439 179.442 176.870 0.222 0.000 1.073 319 L CA 0.865 55.788 54.840 0.138 0.000 0.748 319 L CB -0.410 41.688 42.059 0.065 0.000 0.891 319 L HN -0.023 nan 8.230 nan 0.000 0.431 320 F N 0.840 120.824 119.950 0.056 0.000 2.069 320 F HA -0.258 4.272 4.527 0.005 0.000 0.298 320 F C 2.232 177.799 175.800 -0.388 0.000 1.113 320 F CA 1.607 59.523 58.000 -0.141 0.000 1.214 320 F CB -0.508 38.360 39.000 -0.221 0.000 0.978 320 F HN -0.110 nan 8.300 nan 0.000 0.474 321 L N 0.082 120.968 121.223 -0.562 0.000 2.042 321 L HA -0.267 4.076 4.340 0.005 0.000 0.210 321 L C 2.615 179.348 176.870 -0.229 0.000 1.076 321 L CA 1.970 56.481 54.840 -0.548 0.000 0.749 321 L CB -0.890 40.927 42.059 -0.404 0.000 0.893 321 L HN 0.133 nan 8.230 nan 0.000 0.432 322 K N 0.206 120.561 120.400 -0.075 0.000 2.063 322 K HA -0.241 4.083 4.320 0.005 0.000 0.208 322 K C 1.743 178.410 176.600 0.113 0.000 1.048 322 K CA 1.926 58.247 56.287 0.055 0.000 0.928 322 K CB -0.046 32.513 32.500 0.099 0.000 0.713 322 K HN 0.150 nan 8.250 nan 0.000 0.442 323 D N 0.557 121.025 120.400 0.115 0.000 2.149 323 D HA -0.134 4.510 4.640 0.005 0.000 0.198 323 D C 1.720 178.208 176.300 0.314 0.000 0.990 323 D CA 0.956 55.126 54.000 0.282 0.000 0.839 323 D CB -0.008 41.072 40.800 0.466 0.000 0.948 323 D HN 0.262 nan 8.370 nan 0.000 0.460 324 I N 0.584 121.121 120.570 -0.055 0.000 2.361 324 I HA -0.223 3.950 4.170 0.005 0.000 0.251 324 I C 1.421 177.727 176.117 0.316 0.000 1.133 324 I CA 0.979 62.283 61.300 0.007 0.000 1.413 324 I CB -0.110 37.645 38.000 -0.409 0.000 1.073 324 I HN -0.060 nan 8.210 nan 0.000 0.424 325 D N 0.331 120.904 120.400 0.288 0.000 2.317 325 D HA -0.087 4.557 4.640 0.005 0.000 0.211 325 D C 1.806 178.366 176.300 0.434 0.000 0.966 325 D CA 1.001 55.256 54.000 0.425 0.000 0.876 325 D CB 0.197 41.197 40.800 0.334 0.000 0.927 325 D HN 0.504 nan 8.370 nan 0.000 0.519 326 E N -0.919 119.505 120.200 0.373 0.000 2.564 326 E HA 0.061 4.414 4.350 0.005 0.000 0.203 326 E C 1.645 178.365 176.600 0.200 0.000 0.867 326 E CA -0.316 56.323 56.400 0.397 0.000 1.250 326 E CB 0.167 30.145 29.700 0.463 0.000 1.215 326 E HN -0.068 nan 8.360 nan 0.000 0.566 327 L N 2.792 124.132 121.223 0.194 0.000 2.012 327 L HA -0.189 4.154 4.340 0.005 0.000 0.210 327 L C 2.533 179.231 176.870 -0.287 0.000 1.073 327 L CA 2.098 56.893 54.840 -0.075 0.000 0.748 327 L CB -0.548 41.438 42.059 -0.122 0.000 0.891 327 L HN 0.333 nan 8.230 nan 0.000 0.431 328 H N -2.638 116.254 119.070 -0.297 0.000 2.491 328 H HA -0.120 4.439 4.556 0.005 0.000 0.290 328 H C 1.829 177.011 175.328 -0.244 0.000 1.050 328 H CA 1.544 57.408 56.048 -0.307 0.000 1.309 328 H CB -0.862 28.636 29.762 -0.440 0.000 1.392 328 H HN 0.526 nan 8.280 nan 0.000 0.554 329 H N 0.844 119.400 119.070 -0.858 0.000 2.387 329 H HA -0.007 4.552 4.556 0.005 0.000 0.299 329 H C 2.189 177.295 175.328 -0.370 0.000 1.090 329 H CA 1.354 56.908 56.048 -0.824 0.000 1.332 329 H CB 0.104 28.751 29.762 -1.858 0.000 1.386 329 H HN 0.364 nan 8.280 nan 0.000 0.516 330 S N 0.207 115.894 115.700 -0.021 0.000 2.357 330 S HA -0.096 4.377 4.470 0.005 0.000 0.221 330 S C 1.933 176.681 174.600 0.247 0.000 1.031 330 S CA 0.462 58.822 58.200 0.267 0.000 0.982 330 S CB -0.192 63.203 63.200 0.325 0.000 0.853 330 S HN 0.326 nan 8.310 nan 0.000 0.458 331 Y N 1.524 121.850 120.300 0.043 0.000 2.165 331 Y HA -0.165 4.388 4.550 0.006 0.000 0.286 331 Y C 2.520 178.465 175.900 0.074 0.000 1.155 331 Y CA 1.268 59.379 58.100 0.017 0.000 1.164 331 Y CB -1.431 37.015 38.460 -0.024 0.000 0.978 331 Y HN 0.465 nan 8.280 nan 0.000 0.513 332 H N -0.369 118.789 119.070 0.146 0.000 2.321 332 H HA -0.202 4.357 4.556 0.005 0.000 0.300 332 H C 2.391 177.863 175.328 0.239 0.000 1.087 332 H CA 2.238 58.336 56.048 0.083 0.000 1.319 332 H CB -0.461 29.133 29.762 -0.281 0.000 1.379 332 H HN 0.296 nan 8.280 nan 0.000 0.501 333 M N -0.340 119.295 119.600 0.059 0.000 2.080 333 M HA -0.130 4.353 4.480 0.005 0.000 0.260 333 M C 2.417 178.820 176.300 0.172 0.000 1.068 333 M CA 2.222 57.556 55.300 0.058 0.000 1.109 333 M CB -0.433 32.188 32.600 0.035 0.000 1.342 333 M HN 0.476 nan 8.290 nan 0.000 0.405 334 G N -0.759 108.152 108.800 0.185 0.000 2.404 334 G HA2 -0.165 3.798 3.960 0.005 0.000 0.215 334 G HA3 -0.165 3.798 3.960 0.005 0.000 0.215 334 G C 1.319 176.355 174.900 0.226 0.000 1.174 334 G CA 0.956 46.189 45.100 0.222 0.000 0.780 334 G HN 0.397 nan 8.290 nan 0.000 0.537 335 V N -0.469 119.528 119.914 0.139 0.000 2.332 335 V HA -0.174 3.949 4.120 0.005 0.000 0.248 335 V C 2.247 178.447 176.094 0.177 0.000 1.055 335 V CA 1.954 64.362 62.300 0.179 0.000 1.038 335 V CB -0.541 31.501 31.823 0.364 0.000 0.651 335 V HN 0.625 nan 8.190 nan 0.000 0.450 336 W N -0.502 120.822 121.300 0.041 0.000 2.379 336 W HA -0.223 4.441 4.660 0.007 0.000 0.307 336 W C 2.522 179.070 176.519 0.049 0.000 1.200 336 W CA 1.752 59.114 57.345 0.028 0.000 1.297 336 W CB -0.470 29.012 29.460 0.037 0.000 1.140 336 W HN 0.311 nan 8.180 nan 0.000 0.507 337 Y N -0.785 119.644 120.300 0.214 0.000 2.181 337 Y HA -0.227 4.326 4.550 0.005 0.000 0.288 337 Y C 1.685 177.359 175.900 -0.377 0.000 1.146 337 Y CA 2.095 60.139 58.100 -0.094 0.000 1.164 337 Y CB -0.612 37.811 38.460 -0.061 0.000 0.982 337 Y HN -0.080 nan 8.280 nan 0.000 0.515 338 W N 2.919 124.140 121.300 -0.131 0.000 3.314 338 W HA 0.106 4.768 4.660 0.004 0.000 0.419 338 W C 1.398 177.733 176.519 -0.307 0.000 1.021 338 W CA 0.006 57.214 57.345 -0.229 0.000 1.935 338 W CB -0.190 29.138 29.460 -0.221 0.000 1.008 338 W HN 0.321 nan 8.180 nan 0.000 0.803 339 R N -0.725 119.588 120.500 -0.311 0.000 2.159 339 R HA -0.160 4.183 4.340 0.005 0.000 0.237 339 R C 1.736 177.792 176.300 -0.406 0.000 1.131 339 R CA 1.696 57.546 56.100 -0.417 0.000 0.982 339 R CB -1.095 28.834 30.300 -0.619 0.000 0.868 339 R HN -0.092 nan 8.270 nan 0.000 0.453 340 T N 1.114 115.451 114.554 -0.361 0.000 2.977 340 T HA -0.074 4.279 4.350 0.005 0.000 0.271 340 T C 1.648 176.107 174.700 -0.402 0.000 1.105 340 T CA 1.722 63.595 62.100 -0.378 0.000 1.116 340 T CB -0.299 68.372 68.868 -0.329 0.000 0.878 340 T HN 0.680 nan 8.240 nan 0.000 0.509 341 T N -1.154 113.298 114.554 -0.170 0.000 3.107 341 T HA 0.616 4.969 4.350 0.005 0.000 0.249 341 T C 0.649 175.454 174.700 0.175 0.000 1.096 341 T CA 0.163 62.315 62.100 0.087 0.000 1.012 341 T CB -0.003 69.067 68.868 0.336 0.000 0.977 341 T HN 0.349 nan 8.240 nan 0.000 0.527 342 A N 1.208 123.885 122.820 -0.238 0.000 2.279 342 A HA 0.573 4.896 4.320 0.005 0.000 0.303 342 A C 0.449 177.696 177.584 -0.560 0.000 1.108 342 A CA -0.946 50.584 52.037 -0.845 0.000 0.830 342 A CB 0.322 18.279 19.000 -1.737 0.000 1.106 342 A HN 0.767 nan 8.150 nan 0.000 0.493 343 W N -0.374 120.553 121.300 -0.622 0.000 3.316 343 W HA 0.462 5.125 4.660 0.005 0.000 0.327 343 W C -0.101 176.295 176.519 -0.206 0.000 1.232 343 W CA -0.781 56.225 57.345 -0.566 0.000 1.805 343 W CB -0.702 27.929 29.460 -1.381 0.000 1.090 343 W HN 0.598 nan 8.180 nan 0.000 0.654 344 W N 1.034 122.041 121.300 -0.488 0.000 2.894 344 W HA 0.601 5.264 4.660 0.006 0.000 0.345 344 W C -0.367 175.962 176.519 -0.317 0.000 1.152 344 W CA -1.478 55.646 57.345 -0.368 0.000 1.089 344 W CB 0.180 29.374 29.460 -0.444 0.000 1.454 344 W HN -0.366 nan 8.180 nan 0.000 0.589 345 N N 2.491 121.097 118.700 -0.156 0.000 2.589 345 N HA 0.290 5.033 4.740 0.005 0.000 0.232 345 N C -2.622 172.721 175.510 -0.277 0.000 1.015 345 N CA -1.676 51.215 53.050 -0.265 0.000 0.931 345 N CB 0.677 39.040 38.487 -0.207 0.000 1.150 345 N HN 0.017 nan 8.380 nan 0.000 0.512 346 P HA 0.037 nan 4.420 nan 0.000 0.265 346 P C -0.582 176.701 177.300 -0.029 0.000 1.193 346 P CA -0.105 62.845 63.100 -0.249 0.000 0.765 346 P CB 0.594 32.362 31.700 0.114 0.000 0.823 347 A N 3.318 126.063 122.820 -0.125 0.000 2.309 347 A HA 0.537 4.860 4.320 0.005 0.000 0.298 347 A C 1.449 179.183 177.584 0.250 0.000 1.165 347 A CA 0.055 52.205 52.037 0.188 0.000 0.821 347 A CB 0.445 19.584 19.000 0.230 0.000 1.102 347 A HN 0.543 nan 8.150 nan 0.000 0.500 348 A N 2.155 124.862 122.820 -0.188 0.000 1.930 348 A HA 0.347 4.670 4.320 0.005 0.000 0.217 348 A C 1.916 179.094 177.584 -0.676 0.000 1.175 348 A CA 1.554 53.047 52.037 -0.906 0.000 0.627 348 A CB -1.048 16.822 19.000 -1.883 0.000 0.815 348 A HN 2.644 nan 8.150 nan 0.000 0.443 349 G N -1.298 107.187 108.800 -0.523 0.000 2.221 349 G HA2 -0.134 3.829 3.960 0.005 0.000 0.265 349 G HA3 -0.134 3.829 3.960 0.005 0.000 0.265 349 G C 0.499 175.141 174.900 -0.430 0.000 1.041 349 G CA 0.912 45.835 45.100 -0.295 0.000 0.807 349 G HN 1.831 nan 8.290 nan 0.000 0.502 350 V N -2.069 117.421 119.914 -0.707 0.000 2.838 350 V HA 0.586 4.710 4.120 0.005 0.000 0.363 350 V C 0.933 176.866 176.094 -0.269 0.000 1.324 350 V CA 0.338 62.306 62.300 -0.554 0.000 1.220 350 V CB -0.438 30.897 31.823 -0.813 0.000 1.328 350 V HN 0.979 nan 8.190 nan 0.000 0.595 351 T N -1.372 113.074 114.554 -0.180 0.000 2.900 351 T HA 0.306 4.659 4.350 0.005 0.000 0.307 351 T C -1.195 173.495 174.700 -0.017 0.000 1.065 351 T CA -0.491 61.602 62.100 -0.011 0.000 1.105 351 T CB 0.950 69.810 68.868 -0.013 0.000 0.979 351 T HN 0.256 nan 8.240 nan 0.000 0.544 352 P HA -0.125 nan 4.420 nan 0.000 0.217 352 P C 1.446 178.749 177.300 0.005 0.000 1.151 352 P CA 1.144 64.265 63.100 0.036 0.000 0.849 352 P CB 0.092 31.824 31.700 0.052 0.000 0.787 353 E N -0.445 119.748 120.200 -0.012 0.000 2.106 353 E HA -0.197 4.156 4.350 0.005 0.000 0.192 353 E C 1.794 178.371 176.600 -0.038 0.000 0.984 353 E CA 0.931 57.319 56.400 -0.019 0.000 0.806 353 E CB -0.100 29.581 29.700 -0.031 0.000 0.750 353 E HN 0.324 nan 8.360 nan 0.000 0.458 354 E N -0.016 120.127 120.200 -0.095 0.000 2.072 354 E HA -0.131 4.222 4.350 0.005 0.000 0.190 354 E C 2.186 178.690 176.600 -0.160 0.000 0.982 354 E CA 0.625 56.935 56.400 -0.149 0.000 0.803 354 E CB 0.043 29.597 29.700 -0.244 0.000 0.755 354 E HN 0.133 nan 8.360 nan 0.000 0.453 355 R N 0.877 121.268 120.500 -0.182 0.000 2.105 355 R HA -0.147 4.197 4.340 0.005 0.000 0.239 355 R C 1.735 177.972 176.300 -0.106 0.000 1.135 355 R CA 1.387 57.351 56.100 -0.227 0.000 0.967 355 R CB -0.136 30.155 30.300 -0.014 0.000 0.861 355 R HN 0.156 nan 8.270 nan 0.000 0.442 356 D N -0.365 120.025 120.400 -0.016 0.000 2.117 356 D HA -0.198 4.445 4.640 0.005 0.000 0.197 356 D C 1.427 177.740 176.300 0.021 0.000 0.987 356 D CA 0.900 54.911 54.000 0.018 0.000 0.829 356 D CB -0.313 40.508 40.800 0.034 0.000 0.961 356 D HN 0.289 nan 8.370 nan 0.000 0.460 357 W N 1.474 122.678 121.300 -0.160 0.000 2.355 357 W HA -0.118 4.545 4.660 0.005 0.000 0.309 357 W C 2.066 178.467 176.519 -0.196 0.000 1.206 357 W CA 1.143 58.389 57.345 -0.165 0.000 1.284 357 W CB -0.461 28.893 29.460 -0.175 0.000 1.145 357 W HN -0.096 nan 8.180 nan 0.000 0.502 358 L N 0.507 121.676 121.223 -0.089 0.000 2.043 358 L HA -0.270 4.073 4.340 0.005 0.000 0.212 358 L C 2.482 179.201 176.870 -0.251 0.000 1.075 358 L CA 2.021 56.624 54.840 -0.395 0.000 0.752 358 L CB -1.030 40.370 42.059 -1.099 0.000 0.891 358 L HN 0.023 nan 8.230 nan 0.000 0.432 359 E N 0.369 120.490 120.200 -0.132 0.000 2.077 359 E HA -0.266 4.088 4.350 0.005 0.000 0.193 359 E C 2.041 178.604 176.600 -0.060 0.000 0.989 359 E CA 1.465 57.887 56.400 0.037 0.000 0.800 359 E CB -0.034 29.715 29.700 0.083 0.000 0.746 359 E HN 0.417 nan 8.360 nan 0.000 0.452 360 E N -0.432 119.666 120.200 -0.171 0.000 2.077 360 E HA -0.198 4.156 4.350 0.005 0.000 0.193 360 E C 1.448 177.818 176.600 -0.382 0.000 0.989 360 E CA 1.069 57.324 56.400 -0.241 0.000 0.800 360 E CB 0.115 29.659 29.700 -0.259 0.000 0.746 360 E HN 0.004 nan 8.360 nan 0.000 0.452 361 K N -0.345 119.694 120.400 -0.602 0.000 2.305 361 K HA -0.035 4.288 4.320 0.005 0.000 0.199 361 K C -0.041 175.965 176.600 -0.990 0.000 1.047 361 K CA 0.677 56.419 56.287 -0.909 0.000 0.976 361 K CB 0.267 31.956 32.500 -1.351 0.000 0.765 361 K HN 0.227 nan 8.250 nan 0.000 0.474 362 Y N 0.451 120.662 120.300 -0.148 0.000 2.544 362 Y HA 0.277 4.830 4.550 0.005 0.000 0.347 362 Y C -2.577 173.384 175.900 0.103 0.000 1.089 362 Y CA -2.789 55.335 58.100 0.041 0.000 1.230 362 Y CB 1.072 39.629 38.460 0.161 0.000 1.101 362 Y HN -0.119 nan 8.280 nan 0.000 0.641 363 P HA 0.146 nan 4.420 nan 0.000 0.264 363 P C 1.013 178.431 177.300 0.197 0.000 1.193 363 P CA 1.561 64.737 63.100 0.126 0.000 0.763 363 P CB 0.803 32.531 31.700 0.048 0.000 0.810 364 G N 2.097 111.020 108.800 0.204 0.000 2.195 364 G HA2 -0.265 3.698 3.960 0.005 0.000 0.224 364 G HA3 -0.265 3.698 3.960 0.005 0.000 0.224 364 G C 0.866 175.918 174.900 0.253 0.000 0.990 364 G CA 0.049 45.260 45.100 0.185 0.000 0.639 364 G HN 0.533 nan 8.290 nan 0.000 0.514 365 W N 1.634 123.054 121.300 0.200 0.000 2.318 365 W HA -0.115 4.548 4.660 0.005 0.000 0.313 365 W C 2.187 178.849 176.519 0.239 0.000 1.221 365 W CA 2.334 59.847 57.345 0.281 0.000 1.266 365 W CB -0.196 29.351 29.460 0.145 0.000 1.150 365 W HN 0.267 nan 8.180 nan 0.000 0.496 366 N N 0.194 119.179 118.700 0.476 0.000 2.289 366 N HA -0.154 4.589 4.740 0.005 0.000 0.184 366 N C 1.351 176.886 175.510 0.042 0.000 1.016 366 N CA 1.506 54.735 53.050 0.300 0.000 0.872 366 N CB -0.382 38.312 38.487 0.346 0.000 0.973 366 N HN 0.342 nan 8.380 nan 0.000 0.433 367 K N 0.245 120.656 120.400 0.019 0.000 2.459 367 K HA 0.078 4.401 4.320 0.005 0.000 0.193 367 K C 1.509 178.009 176.600 -0.167 0.000 1.030 367 K CA 0.351 56.608 56.287 -0.049 0.000 1.026 367 K CB 0.482 32.972 32.500 -0.016 0.000 0.809 367 K HN 0.118 nan 8.250 nan 0.000 0.504 368 R N -0.660 119.664 120.500 -0.293 0.000 1.787 368 R HA 0.159 4.503 4.340 0.005 0.000 0.132 368 R C 1.714 177.626 176.300 -0.647 0.000 2.093 368 R CA -0.227 55.527 56.100 -0.577 0.000 1.747 368 R CB -0.323 29.417 30.300 -0.933 0.000 1.388 368 R HN 0.117 nan 8.270 nan 0.000 0.484 369 W N 1.057 121.994 121.300 -0.604 0.000 2.350 369 W HA -0.060 4.603 4.660 0.005 0.000 0.289 369 W C 1.918 178.068 176.519 -0.615 0.000 1.215 369 W CA 1.230 58.195 57.345 -0.634 0.000 1.236 369 W CB -0.756 28.293 29.460 -0.684 0.000 1.130 369 W HN 0.535 nan 8.180 nan 0.000 0.541 370 G N 0.718 109.099 108.800 -0.699 0.000 2.450 370 G HA2 -0.259 3.704 3.960 0.005 0.000 0.220 370 G HA3 -0.259 3.704 3.960 0.005 0.000 0.220 370 G C 1.712 176.605 174.900 -0.011 0.000 1.130 370 G CA 0.622 45.583 45.100 -0.233 0.000 0.760 370 G HN 0.031 nan 8.290 nan 0.000 0.557 371 R N 0.188 120.620 120.500 -0.114 0.000 2.081 371 R HA -0.050 4.294 4.340 0.005 0.000 0.235 371 R C 2.637 178.890 176.300 -0.079 0.000 1.131 371 R CA 1.207 57.257 56.100 -0.082 0.000 0.960 371 R CB -1.434 28.786 30.300 -0.133 0.000 0.856 371 R HN 0.462 nan 8.270 nan 0.000 0.436 372 C N -1.547 117.662 119.300 -0.151 0.000 2.466 372 C HA -0.040 4.423 4.460 0.005 0.000 0.278 372 C C 2.463 177.355 174.990 -0.163 0.000 1.288 372 C CA -0.323 58.566 59.018 -0.215 0.000 1.722 372 C CB -1.242 26.283 27.740 -0.358 0.000 2.017 372 C HN 0.551 nan 8.230 nan 0.000 0.488 373 W N 1.407 122.712 121.300 0.008 0.000 2.425 373 W HA -0.077 4.586 4.660 0.005 0.000 0.277 373 W C 2.054 178.631 176.519 0.097 0.000 1.231 373 W CA 0.690 58.069 57.345 0.058 0.000 1.248 373 W CB -0.401 29.131 29.460 0.120 0.000 1.117 373 W HN 0.341 nan 8.180 nan 0.000 0.568 374 D N -0.153 120.399 120.400 0.253 0.000 2.117 374 D HA -0.156 4.487 4.640 0.005 0.000 0.198 374 D C 2.264 178.652 176.300 0.147 0.000 0.982 374 D CA 1.442 55.555 54.000 0.189 0.000 0.828 374 D CB -0.635 40.236 40.800 0.118 0.000 0.967 374 D HN -0.010 nan 8.370 nan 0.000 0.464 375 V N 1.069 121.038 119.914 0.092 0.000 2.307 375 V HA -0.197 3.927 4.120 0.005 0.000 0.245 375 V C 2.558 178.723 176.094 0.119 0.000 1.045 375 V CA 1.057 63.395 62.300 0.063 0.000 1.024 375 V CB -0.382 31.439 31.823 -0.002 0.000 0.651 375 V HN 0.151 nan 8.190 nan 0.000 0.449 376 I N 0.202 120.868 120.570 0.161 0.000 2.163 376 I HA -0.279 3.894 4.170 0.005 0.000 0.243 376 I C 2.602 178.932 176.117 0.355 0.000 1.085 376 I CA 2.069 63.536 61.300 0.279 0.000 1.347 376 I CB -0.634 37.545 38.000 0.299 0.000 1.044 376 I HN 0.322 nan 8.210 nan 0.000 0.408 377 T N 0.010 114.805 114.554 0.403 0.000 2.746 377 T HA -0.199 4.154 4.350 0.005 0.000 0.267 377 T C 1.714 176.531 174.700 0.195 0.000 1.039 377 T CA 1.511 63.854 62.100 0.404 0.000 1.142 377 T CB -0.305 68.823 68.868 0.433 0.000 0.866 377 T HN 0.414 nan 8.240 nan 0.000 0.444 378 E N 1.211 121.501 120.200 0.150 0.000 2.049 378 E HA -0.178 4.175 4.350 0.005 0.000 0.198 378 E C 2.205 178.834 176.600 0.048 0.000 1.007 378 E CA 1.483 57.931 56.400 0.080 0.000 0.809 378 E CB -0.300 29.438 29.700 0.064 0.000 0.749 378 E HN 0.586 nan 8.360 nan 0.000 0.450 379 N N 0.043 118.781 118.700 0.064 0.000 2.104 379 N HA -0.156 4.587 4.740 0.005 0.000 0.190 379 N C 1.884 177.380 175.510 -0.024 0.000 1.024 379 N CA 1.150 54.215 53.050 0.025 0.000 0.853 379 N CB 0.019 38.536 38.487 0.051 0.000 1.008 379 N HN -0.061 nan 8.380 nan 0.000 0.424 380 V N 1.561 121.471 119.914 -0.007 0.000 2.295 380 V HA -0.201 3.922 4.120 0.005 0.000 0.246 380 V C 2.194 178.194 176.094 -0.157 0.000 1.049 380 V CA 1.426 63.641 62.300 -0.142 0.000 1.024 380 V CB -0.601 31.134 31.823 -0.146 0.000 0.648 380 V HN 0.315 nan 8.190 nan 0.000 0.447 381 L N 0.141 121.308 121.223 -0.093 0.000 2.079 381 L HA -0.209 4.134 4.340 0.005 0.000 0.210 381 L C 1.772 178.603 176.870 -0.066 0.000 1.081 381 L CA 1.937 56.732 54.840 -0.076 0.000 0.752 381 L CB -0.595 41.447 42.059 -0.028 0.000 0.896 381 L HN 0.457 nan 8.230 nan 0.000 0.433 382 N N -0.788 117.879 118.700 -0.055 0.000 2.322 382 N HA -0.036 4.707 4.740 0.005 0.000 0.194 382 N C -0.100 175.368 175.510 -0.070 0.000 1.126 382 N CA 0.031 53.051 53.050 -0.050 0.000 0.845 382 N CB 0.227 38.694 38.487 -0.032 0.000 0.976 382 N HN 0.131 nan 8.380 nan 0.000 0.475 383 D N 0.906 121.244 120.400 -0.104 0.000 2.837 383 D HA -0.213 4.431 4.640 0.005 0.000 0.230 383 D C -0.702 175.529 176.300 -0.116 0.000 1.152 383 D CA 0.609 54.530 54.000 -0.131 0.000 0.736 383 D CB -0.649 40.086 40.800 -0.108 0.000 1.084 383 D HN 0.321 nan 8.370 nan 0.000 0.429 384 R N 0.455 120.895 120.500 -0.099 0.000 3.701 384 R HA 0.183 4.526 4.340 0.005 0.000 0.210 384 R C 1.271 177.508 176.300 -0.105 0.000 1.598 384 R CA -0.438 55.612 56.100 -0.082 0.000 1.427 384 R CB 0.215 30.484 30.300 -0.051 0.000 1.339 384 R HN 0.240 nan 8.270 nan 0.000 0.720 385 M N 1.091 120.605 119.600 -0.144 0.000 2.419 385 M HA -0.105 4.378 4.480 0.005 0.000 0.264 385 M C 1.416 177.622 176.300 -0.155 0.000 1.082 385 M CA 1.205 56.391 55.300 -0.190 0.000 1.119 385 M CB -0.578 31.881 32.600 -0.235 0.000 1.398 385 M HN 0.378 nan 8.290 nan 0.000 0.453 386 D N 0.547 120.875 120.400 -0.119 0.000 2.221 386 D HA -0.191 4.452 4.640 0.005 0.000 0.204 386 D C 1.746 177.985 176.300 -0.102 0.000 0.982 386 D CA 1.109 55.043 54.000 -0.110 0.000 0.857 386 D CB -0.750 40.001 40.800 -0.081 0.000 0.934 386 D HN 0.378 nan 8.370 nan 0.000 0.475 387 L N 0.745 121.927 121.223 -0.069 0.000 2.599 387 L HA 0.050 4.394 4.340 0.005 0.000 0.230 387 L C 1.805 178.697 176.870 0.037 0.000 1.141 387 L CA 0.164 54.999 54.840 -0.009 0.000 0.877 387 L CB 0.207 42.272 42.059 0.009 0.000 1.009 387 L HN 0.042 nan 8.230 nan 0.000 0.447 388 V N -5.724 114.131 119.914 -0.098 0.000 3.319 388 V HA 0.338 4.461 4.120 0.005 0.000 0.317 388 V C 0.483 176.147 176.094 -0.716 0.000 1.411 388 V CA -0.268 61.908 62.300 -0.207 0.000 1.112 388 V CB 0.290 32.169 31.823 0.094 0.000 1.031 388 V HN 0.157 nan 8.190 nan 0.000 0.448 389 S N 2.691 118.016 115.700 -0.624 0.000 2.526 389 S HA 0.728 5.202 4.470 0.005 0.000 0.293 389 S C -2.863 171.392 174.600 -0.575 0.000 1.092 389 S CA -0.899 56.883 58.200 -0.697 0.000 0.980 389 S CB 2.479 65.429 63.200 -0.417 0.000 1.048 389 S HN 0.433 nan 8.310 nan 0.000 0.483 390 P HA 0.428 nan 4.420 nan 0.000 0.284 390 P C -0.751 176.414 177.300 -0.225 0.000 1.258 390 P CA -0.454 62.367 63.100 -0.466 0.000 0.824 390 P CB 1.015 32.068 31.700 -1.079 0.000 1.038 391 E N -0.779 119.364 120.200 -0.094 0.000 2.714 391 E HA 0.180 4.533 4.350 0.005 0.000 0.219 391 E C 0.160 176.771 176.600 0.019 0.000 0.979 391 E CA -0.063 56.315 56.400 -0.036 0.000 1.092 391 E CB 0.986 30.665 29.700 -0.035 0.000 1.049 391 E HN 0.395 nan 8.360 nan 0.000 0.487 392 T N -0.430 114.173 114.554 0.082 0.000 2.754 392 T HA 0.494 4.847 4.350 0.005 0.000 0.296 392 T C -1.607 173.214 174.700 0.203 0.000 1.205 392 T CA -0.637 61.515 62.100 0.088 0.000 1.009 392 T CB 0.939 69.844 68.868 0.061 0.000 1.368 392 T HN -0.095 nan 8.240 nan 0.000 0.509 393 L N 3.349 124.560 121.223 -0.021 0.000 2.375 393 L HA 0.525 4.868 4.340 0.005 0.000 0.271 393 L C -1.712 175.018 176.870 -0.234 0.000 1.107 393 L CA -1.480 53.265 54.840 -0.160 0.000 0.806 393 L CB 0.460 42.294 42.059 -0.375 0.000 1.146 393 L HN 0.519 nan 8.230 nan 0.000 0.447 394 P HA 0.175 nan 4.420 nan 0.000 0.274 394 P C -0.886 176.185 177.300 -0.383 0.000 1.237 394 P CA -0.519 62.206 63.100 -0.625 0.000 0.793 394 P CB 0.785 31.872 31.700 -1.023 0.000 0.977 395 S N 0.082 115.616 115.700 -0.276 0.000 2.565 395 S HA 0.321 4.794 4.470 0.005 0.000 0.276 395 S C 0.165 174.645 174.600 -0.201 0.000 1.326 395 S CA -0.475 57.600 58.200 -0.208 0.000 1.045 395 S CB 0.403 63.492 63.200 -0.185 0.000 0.918 395 S HN 0.230 nan 8.310 nan 0.000 0.505 396 V N 2.051 121.876 119.914 -0.148 0.000 2.680 396 V HA 0.313 4.436 4.120 0.005 0.000 0.309 396 V C 0.237 176.298 176.094 -0.055 0.000 1.052 396 V CA -1.076 61.151 62.300 -0.121 0.000 0.908 396 V CB 1.728 33.477 31.823 -0.122 0.000 1.001 396 V HN 1.084 nan 8.190 nan 0.000 0.431 397 C N 4.143 123.432 119.300 -0.018 0.000 2.648 397 C HA 0.108 4.572 4.460 0.005 0.000 0.419 397 C C 1.845 176.829 174.990 -0.010 0.000 1.352 397 C CA -0.208 58.826 59.018 0.028 0.000 1.816 397 C CB -0.663 27.160 27.740 0.139 0.000 2.598 397 C HN 0.920 nan 8.230 nan 0.000 0.598 398 N N 3.257 121.880 118.700 -0.129 0.000 2.521 398 N HA -0.076 4.667 4.740 0.005 0.000 0.188 398 N C 1.089 176.701 175.510 0.169 0.000 1.146 398 N CA 0.695 53.725 53.050 -0.032 0.000 0.893 398 N CB 0.078 38.465 38.487 -0.168 0.000 0.975 398 N HN 0.759 nan 8.380 nan 0.000 0.451 399 M N 0.289 120.056 119.600 0.279 0.000 2.530 399 M HA 0.031 4.514 4.480 0.005 0.000 0.245 399 M C 2.138 178.418 176.300 -0.033 0.000 1.198 399 M CA 1.184 56.593 55.300 0.181 0.000 1.225 399 M CB -0.767 32.013 32.600 0.301 0.000 1.232 399 M HN 0.005 nan 8.290 nan 0.000 0.494 400 S N -0.440 115.308 115.700 0.081 0.000 2.453 400 S HA -0.094 4.380 4.470 0.005 0.000 0.231 400 S C 0.686 175.260 174.600 -0.042 0.000 1.005 400 S CA 0.873 59.091 58.200 0.029 0.000 0.949 400 S CB -0.398 62.842 63.200 0.068 0.000 0.774 400 S HN 0.616 nan 8.310 nan 0.000 0.510 401 Q N -0.499 119.268 119.800 -0.055 0.000 2.489 401 Q HA -0.151 4.192 4.340 0.005 0.000 0.259 401 Q C -0.448 175.558 176.000 0.011 0.000 0.934 401 Q CA 1.101 56.897 55.803 -0.012 0.000 1.131 401 Q CB -2.641 26.104 28.738 0.011 0.000 1.472 401 Q HN 0.748 nan 8.270 nan 0.000 0.560 402 I N 0.346 120.883 120.570 -0.056 0.000 2.603 402 I HA 0.385 4.558 4.170 0.005 0.000 0.300 402 I C -2.099 173.908 176.117 -0.184 0.000 1.017 402 I CA -2.570 58.613 61.300 -0.195 0.000 1.098 402 I CB 1.772 39.543 38.000 -0.382 0.000 1.279 402 I HN -0.278 nan 8.210 nan 0.000 0.437 403 P HA 0.070 nan 4.420 nan 0.000 0.268 403 P C -0.844 176.443 177.300 -0.023 0.000 1.208 403 P CA -0.093 62.868 63.100 -0.231 0.000 0.777 403 P CB 0.363 31.819 31.700 -0.406 0.000 0.875 404 L N 2.420 123.623 121.223 -0.034 0.000 2.385 404 L HA 0.247 4.590 4.340 0.005 0.000 0.281 404 L C 0.616 177.514 176.870 0.047 0.000 1.106 404 L CA -0.173 54.692 54.840 0.041 0.000 0.856 404 L CB -0.291 41.763 42.059 -0.007 0.000 1.186 404 L HN 0.188 nan 8.230 nan 0.000 0.453 405 V N 0.507 120.487 119.914 0.110 0.000 3.155 405 V HA 1.089 5.212 4.120 0.005 0.000 0.313 405 V C 0.042 176.190 176.094 0.089 0.000 1.162 405 V CA -0.225 62.137 62.300 0.103 0.000 1.048 405 V CB 1.723 33.635 31.823 0.147 0.000 1.092 405 V HN 0.705 nan 8.190 nan 0.000 0.447 406 G N -0.480 108.371 108.800 0.085 0.000 2.815 406 G HA2 0.588 4.551 3.960 0.005 0.000 0.305 406 G HA3 0.588 4.551 3.960 0.005 0.000 0.305 406 G C -1.499 173.434 174.900 0.055 0.000 1.277 406 G CA -0.426 44.698 45.100 0.041 0.000 0.795 406 G HN 1.081 nan 8.290 nan 0.000 0.528 407 V N 3.080 122.954 119.914 -0.065 0.000 2.383 407 V HA 0.466 4.589 4.120 0.005 0.000 0.275 407 V C -1.710 174.237 176.094 -0.246 0.000 1.036 407 V CA -0.989 61.169 62.300 -0.236 0.000 0.889 407 V CB 1.398 33.074 31.823 -0.245 0.000 0.985 407 V HN 0.595 nan 8.190 nan 0.000 0.459 408 P HA 0.595 nan 4.420 nan 0.000 0.301 408 P C 0.420 177.552 177.300 -0.280 0.000 1.309 408 P CA 0.498 63.478 63.100 -0.199 0.000 0.782 408 P CB 1.355 32.880 31.700 -0.290 0.000 1.282 409 G N 0.062 108.749 108.800 -0.189 0.000 2.512 409 G HA2 -0.261 3.703 3.960 0.005 0.000 0.254 409 G HA3 -0.261 3.703 3.960 0.005 0.000 0.254 409 G C 0.581 175.420 174.900 -0.102 0.000 1.199 409 G CA 0.686 45.675 45.100 -0.185 0.000 0.941 409 G HN 0.414 nan 8.290 nan 0.000 0.569 410 D N 1.592 121.928 120.400 -0.106 0.000 2.144 410 D HA 0.030 4.673 4.640 0.005 0.000 0.199 410 D C 1.527 177.814 176.300 -0.020 0.000 0.984 410 D CA 1.930 55.897 54.000 -0.055 0.000 0.834 410 D CB -0.148 40.622 40.800 -0.051 0.000 0.955 410 D HN 0.653 nan 8.370 nan 0.000 0.465 411 D N -0.832 119.545 120.400 -0.039 0.000 3.068 411 D HA -0.017 4.626 4.640 0.005 0.000 0.327 411 D C -0.375 175.928 176.300 0.004 0.000 1.361 411 D CA -0.951 53.042 54.000 -0.010 0.000 0.877 411 D CB -1.149 39.632 40.800 -0.031 0.000 1.088 411 D HN 0.063 nan 8.370 nan 0.000 0.489 412 W N 3.378 124.591 121.300 -0.145 0.000 2.550 412 W HA -0.002 4.661 4.660 0.005 0.000 0.339 412 W C -0.395 176.064 176.519 -0.100 0.000 1.174 412 W CA 0.338 57.597 57.345 -0.144 0.000 1.243 412 W CB 0.077 29.461 29.460 -0.126 0.000 1.172 412 W HN 0.314 nan 8.180 nan 0.000 0.566 413 N N 7.176 125.515 118.700 -0.601 0.000 2.406 413 N HA 0.509 5.253 4.740 0.005 0.000 0.283 413 N C -2.057 173.075 175.510 -0.630 0.000 1.074 413 N CA -0.845 51.777 53.050 -0.712 0.000 0.916 413 N CB 1.804 40.094 38.487 -0.329 0.000 1.639 413 N HN 0.584 nan 8.380 nan 0.000 0.485 414 I N -0.126 120.017 120.570 -0.712 0.000 2.722 414 I HA 0.415 4.588 4.170 0.005 0.000 0.295 414 I C -1.568 174.362 176.117 -0.311 0.000 1.161 414 I CA -0.407 60.665 61.300 -0.381 0.000 1.032 414 I CB 2.654 40.489 38.000 -0.275 0.000 1.244 414 I HN 0.703 nan 8.210 nan 0.000 0.421 415 E N 5.883 125.965 120.200 -0.196 0.000 2.263 415 E HA 0.525 4.878 4.350 0.005 0.000 0.268 415 E C -1.893 174.495 176.600 -0.353 0.000 0.884 415 E CA -0.658 55.544 56.400 -0.330 0.000 0.766 415 E CB 2.339 31.795 29.700 -0.406 0.000 1.196 415 E HN 0.410 nan 8.360 nan 0.000 0.416 416 V N 4.722 124.406 119.914 -0.383 0.000 2.472 416 V HA 0.412 4.535 4.120 0.005 0.000 0.290 416 V C -0.673 175.197 176.094 -0.374 0.000 1.037 416 V CA -0.495 61.678 62.300 -0.212 0.000 0.908 416 V CB 0.916 32.684 31.823 -0.091 0.000 0.985 416 V HN 0.549 nan 8.190 nan 0.000 0.454 417 F N 2.447 122.509 119.950 0.188 0.000 2.332 417 F HA 0.515 5.045 4.527 0.005 0.000 0.368 417 F C 0.790 176.760 175.800 0.283 0.000 1.110 417 F CA -0.142 57.988 58.000 0.216 0.000 1.087 417 F CB 1.351 40.484 39.000 0.221 0.000 1.235 417 F HN 0.406 nan 8.300 nan 0.000 0.470 418 S N 3.488 119.369 115.700 0.302 0.000 2.690 418 S HA 0.793 5.267 4.470 0.005 0.000 0.291 418 S C -1.203 173.518 174.600 0.203 0.000 1.138 418 S CA -0.656 57.669 58.200 0.208 0.000 1.013 418 S CB 1.995 65.288 63.200 0.156 0.000 1.053 418 S HN 0.483 nan 8.310 nan 0.000 0.539 419 L N 1.625 122.926 121.223 0.131 0.000 2.543 419 L HA 0.446 4.789 4.340 0.005 0.000 0.265 419 L C -1.281 175.692 176.870 0.171 0.000 0.945 419 L CA -0.153 54.786 54.840 0.165 0.000 0.869 419 L CB 1.814 43.989 42.059 0.193 0.000 1.294 419 L HN 0.673 nan 8.230 nan 0.000 0.405 420 E N 3.049 123.349 120.200 0.167 0.000 2.249 420 E HA 0.463 4.816 4.350 0.005 0.000 0.280 420 E C -1.365 175.420 176.600 0.309 0.000 1.016 420 E CA -0.415 56.105 56.400 0.200 0.000 0.830 420 E CB 1.153 30.925 29.700 0.119 0.000 1.081 420 E HN 0.571 nan 8.360 nan 0.000 0.395 421 H N 2.754 121.993 119.070 0.282 0.000 3.083 421 H HA 0.174 4.733 4.556 0.005 0.000 0.339 421 H C -0.998 174.512 175.328 0.304 0.000 1.020 421 H CA -0.675 55.550 56.048 0.295 0.000 1.360 421 H CB 0.372 30.329 29.762 0.325 0.000 1.811 421 H HN 0.415 nan 8.280 nan 0.000 0.493 422 N N 3.819 122.365 118.700 -0.256 0.000 2.714 422 N HA -0.166 4.577 4.740 0.005 0.000 0.252 422 N C 0.935 176.443 175.510 -0.004 0.000 1.014 422 N CA 1.841 54.789 53.050 -0.169 0.000 0.735 422 N CB -1.308 37.027 38.487 -0.253 0.000 0.924 422 N HN 1.270 nan 8.380 nan 0.000 0.540 423 G N -0.880 107.934 108.800 0.024 0.000 2.198 423 G HA2 -0.364 3.599 3.960 0.005 0.000 0.260 423 G HA3 -0.364 3.599 3.960 0.005 0.000 0.260 423 G C 0.043 174.952 174.900 0.014 0.000 1.025 423 G CA 0.749 45.863 45.100 0.022 0.000 0.769 423 G HN 0.812 nan 8.290 nan 0.000 0.507 424 R N -1.004 119.520 120.500 0.040 0.000 2.686 424 R HA 0.683 5.027 4.340 0.005 0.000 0.283 424 R C -1.066 175.147 176.300 -0.146 0.000 0.978 424 R CA -1.132 54.910 56.100 -0.097 0.000 0.897 424 R CB 1.041 31.232 30.300 -0.182 0.000 1.192 424 R HN 0.272 nan 8.270 nan 0.000 0.457 425 L N 4.516 125.577 121.223 -0.270 0.000 2.264 425 L HA 0.427 4.770 4.340 0.005 0.000 0.289 425 L C -1.633 174.884 176.870 -0.588 0.000 1.044 425 L CA -0.086 54.580 54.840 -0.290 0.000 0.807 425 L CB 0.664 42.595 42.059 -0.213 0.000 1.192 425 L HN 0.559 nan 8.230 nan 0.000 0.425 426 Y N 3.733 123.750 120.300 -0.472 0.000 2.457 426 Y HA 0.604 5.158 4.550 0.005 0.000 0.333 426 Y C -0.036 175.292 175.900 -0.952 0.000 1.119 426 Y CA -0.697 57.003 58.100 -0.668 0.000 1.143 426 Y CB 1.539 39.588 38.460 -0.685 0.000 1.230 426 Y HN 0.462 nan 8.280 nan 0.000 0.469 427 H N 2.015 120.780 119.070 -0.507 0.000 2.600 427 H HA 0.431 4.990 4.556 0.005 0.000 0.357 427 H C -1.577 173.358 175.328 -0.655 0.000 1.106 427 H CA -1.027 54.783 56.048 -0.397 0.000 1.193 427 H CB 1.711 31.359 29.762 -0.189 0.000 1.594 427 H HN 0.509 nan 8.280 nan 0.000 0.526 428 F N -0.806 119.287 119.950 0.238 0.000 2.577 428 F HA 0.358 4.889 4.527 0.006 0.000 0.318 428 F C 1.452 177.442 175.800 0.316 0.000 1.065 428 F CA -0.789 57.347 58.000 0.227 0.000 0.929 428 F CB 1.710 40.821 39.000 0.184 0.000 1.237 428 F HN 0.664 nan 8.300 nan 0.000 0.468 429 G N -0.111 108.975 108.800 0.477 0.000 2.920 429 G HA2 0.325 4.288 3.960 0.005 0.000 0.208 429 G HA3 0.325 4.288 3.960 0.005 0.000 0.208 429 G C -0.177 175.037 174.900 0.524 0.000 1.159 429 G CA 0.670 46.028 45.100 0.430 0.000 0.784 429 G HN 0.644 nan 8.290 nan 0.000 0.535 430 S N -2.150 113.835 115.700 0.475 0.000 2.587 430 S HA 0.345 4.818 4.470 0.005 0.000 0.269 430 S C 0.296 174.567 174.600 -0.547 0.000 1.154 430 S CA -0.638 57.590 58.200 0.046 0.000 0.824 430 S CB 1.422 64.736 63.200 0.190 0.000 1.118 430 S HN -0.082 nan 8.310 nan 0.000 0.462 431 E N 0.687 120.168 120.200 -1.199 0.000 2.118 431 E HA -0.095 4.259 4.350 0.005 0.000 0.195 431 E C 1.965 178.385 176.600 -0.300 0.000 0.992 431 E CA 1.567 57.496 56.400 -0.784 0.000 0.804 431 E CB -0.362 29.028 29.700 -0.517 0.000 0.741 431 E HN 0.530 nan 8.360 nan 0.000 0.458 432 V N 1.759 121.356 119.914 -0.529 0.000 2.379 432 V HA -0.192 3.931 4.120 0.005 0.000 0.245 432 V C 1.955 177.885 176.094 -0.274 0.000 1.044 432 V CA 1.627 63.556 62.300 -0.619 0.000 1.036 432 V CB -0.419 30.146 31.823 -2.097 0.000 0.664 432 V HN 0.113 nan 8.190 nan 0.000 0.453 433 D N 0.087 120.361 120.400 -0.210 0.000 2.117 433 D HA -0.193 4.450 4.640 0.005 0.000 0.197 433 D C 2.304 178.379 176.300 -0.375 0.000 0.987 433 D CA 1.457 55.460 54.000 0.005 0.000 0.829 433 D CB -0.074 40.903 40.800 0.295 0.000 0.961 433 D HN 0.342 nan 8.370 nan 0.000 0.460 434 R N -0.136 120.067 120.500 -0.495 0.000 2.083 434 R HA -0.188 4.155 4.340 0.005 0.000 0.237 434 R C 2.265 178.362 176.300 -0.339 0.000 1.137 434 R CA 1.562 57.158 56.100 -0.840 0.000 0.951 434 R CB -0.472 29.675 30.300 -0.255 0.000 0.851 434 R HN 0.226 nan 8.270 nan 0.000 0.434 435 W N 0.474 121.631 121.300 -0.239 0.000 2.335 435 W HA -0.234 4.429 4.660 0.005 0.000 0.311 435 W C 1.730 178.222 176.519 -0.044 0.000 1.213 435 W CA 1.676 58.971 57.345 -0.084 0.000 1.274 435 W CB -0.429 29.078 29.460 0.078 0.000 1.148 435 W HN -0.099 nan 8.180 nan 0.000 0.498 436 V N 0.934 120.861 119.914 0.021 0.000 2.332 436 V HA -0.342 3.781 4.120 0.005 0.000 0.248 436 V C 2.093 178.041 176.094 -0.244 0.000 1.055 436 V CA 2.190 64.392 62.300 -0.163 0.000 1.038 436 V CB -1.325 30.524 31.823 0.044 0.000 0.651 436 V HN 0.324 nan 8.190 nan 0.000 0.450 437 F N 0.772 120.436 119.950 -0.478 0.000 2.095 437 F HA -0.257 4.273 4.527 0.005 0.000 0.298 437 F C 2.561 178.207 175.800 -0.257 0.000 1.104 437 F CA 2.098 59.846 58.000 -0.419 0.000 1.232 437 F CB -0.192 38.448 39.000 -0.600 0.000 0.987 437 F HN 0.132 nan 8.300 nan 0.000 0.475 438 Q N -0.441 119.307 119.800 -0.086 0.000 2.364 438 Q HA -0.192 4.152 4.340 0.005 0.000 0.207 438 Q C 2.029 177.860 176.000 -0.283 0.000 0.970 438 Q CA 0.891 56.611 55.803 -0.138 0.000 0.888 438 Q CB -0.107 28.577 28.738 -0.090 0.000 0.951 438 Q HN 0.453 nan 8.270 nan 0.000 0.469 439 Q N 0.272 119.818 119.800 -0.424 0.000 2.167 439 Q HA -0.086 4.257 4.340 0.005 0.000 0.202 439 Q C 0.270 176.118 176.000 -0.254 0.000 0.970 439 Q CA 1.089 56.637 55.803 -0.425 0.000 0.855 439 Q CB 0.252 28.627 28.738 -0.605 0.000 0.911 439 Q HN 0.177 nan 8.270 nan 0.000 0.438 440 D N -1.574 118.696 120.400 -0.217 0.000 2.978 440 D HA 0.159 4.802 4.640 0.005 0.000 0.268 440 D C -2.189 173.888 176.300 -0.371 0.000 1.252 440 D CA -1.546 52.308 54.000 -0.244 0.000 0.771 440 D CB 0.759 41.419 40.800 -0.233 0.000 1.361 440 D HN -0.145 nan 8.370 nan 0.000 0.558 441 P HA -0.091 nan 4.420 nan 0.000 0.220 441 P C 1.597 178.637 177.300 -0.433 0.000 1.148 441 P CA 0.427 63.105 63.100 -0.703 0.000 0.803 441 P CB 0.473 31.784 31.700 -0.648 0.000 0.782 442 V N -0.265 119.483 119.914 -0.276 0.000 2.759 442 V HA -0.216 3.907 4.120 0.005 0.000 0.256 442 V C 2.665 178.596 176.094 -0.272 0.000 1.080 442 V CA 1.657 63.847 62.300 -0.184 0.000 1.101 442 V CB -1.259 30.488 31.823 -0.127 0.000 0.698 442 V HN 0.117 nan 8.190 nan 0.000 0.477 443 Q N -0.424 119.069 119.800 -0.511 0.000 2.167 443 Q HA -0.149 4.194 4.340 0.005 0.000 0.202 443 Q C 1.644 177.271 176.000 -0.621 0.000 0.970 443 Q CA 2.049 57.411 55.803 -0.734 0.000 0.855 443 Q CB -0.103 27.843 28.738 -1.319 0.000 0.911 443 Q HN 0.812 nan 8.270 nan 0.000 0.438 444 Y N -1.451 118.759 120.300 -0.150 0.000 2.452 444 Y HA 0.119 4.672 4.550 0.005 0.000 0.262 444 Y C 2.051 178.086 175.900 0.225 0.000 1.089 444 Y CA 0.017 58.135 58.100 0.030 0.000 1.262 444 Y CB -0.021 38.413 38.460 -0.043 0.000 1.236 444 Y HN 0.128 nan 8.280 nan 0.000 0.512 445 Q N 0.749 120.678 119.800 0.214 0.000 2.096 445 Q HA -0.176 4.167 4.340 0.005 0.000 0.204 445 Q C 0.522 176.866 176.000 0.573 0.000 0.982 445 Q CA 1.874 57.963 55.803 0.477 0.000 0.850 445 Q CB -0.447 28.553 28.738 0.438 0.000 0.901 445 Q HN 0.320 nan 8.270 nan 0.000 0.422 446 N N 0.246 119.174 118.700 0.380 0.000 2.270 446 N HA -0.002 4.741 4.740 0.005 0.000 0.198 446 N C -0.365 175.324 175.510 0.298 0.000 1.117 446 N CA 0.113 53.346 53.050 0.304 0.000 0.845 446 N CB -0.013 38.591 38.487 0.196 0.000 0.980 446 N HN 0.363 nan 8.380 nan 0.000 0.486 447 H N 1.332 120.596 119.070 0.323 0.000 2.764 447 H HA 0.120 4.679 4.556 0.006 0.000 0.341 447 H C -0.336 175.165 175.328 0.287 0.000 1.072 447 H CA 0.342 56.579 56.048 0.314 0.000 1.444 447 H CB 0.765 30.778 29.762 0.419 0.000 1.458 447 H HN -0.126 nan 8.280 nan 0.000 0.572 448 M N 4.886 124.230 119.600 -0.426 0.000 2.167 448 M HA 0.087 4.570 4.480 0.005 0.000 0.333 448 M C 0.165 176.309 176.300 -0.260 0.000 1.030 448 M CA -1.013 54.165 55.300 -0.204 0.000 0.963 448 M CB 1.143 33.673 32.600 -0.116 0.000 1.589 448 M HN 0.653 nan 8.290 nan 0.000 0.431 449 N N 2.140 120.848 118.700 0.014 0.000 2.317 449 N HA 0.144 4.887 4.740 0.005 0.000 0.245 449 N C 0.699 176.250 175.510 0.068 0.000 1.294 449 N CA -0.373 52.741 53.050 0.106 0.000 0.924 449 N CB 0.909 39.469 38.487 0.122 0.000 1.186 449 N HN 0.734 nan 8.380 nan 0.000 0.495 450 I N -0.121 120.513 120.570 0.106 0.000 2.264 450 I HA -0.235 3.938 4.170 0.005 0.000 0.248 450 I C 1.536 177.686 176.117 0.055 0.000 1.111 450 I CA 1.148 62.512 61.300 0.107 0.000 1.382 450 I CB 0.044 38.141 38.000 0.162 0.000 1.060 450 I HN 0.436 nan 8.210 nan 0.000 0.418 451 V N 0.922 120.847 119.914 0.018 0.000 2.307 451 V HA -0.274 3.849 4.120 0.005 0.000 0.245 451 V C 2.109 178.243 176.094 0.068 0.000 1.045 451 V CA 2.154 64.463 62.300 0.015 0.000 1.024 451 V CB -0.852 30.942 31.823 -0.047 0.000 0.651 451 V HN 0.439 nan 8.190 nan 0.000 0.449 452 D N 0.140 120.557 120.400 0.028 0.000 2.133 452 D HA -0.206 4.437 4.640 0.005 0.000 0.195 452 D C 2.351 178.656 176.300 0.008 0.000 0.997 452 D CA 1.502 55.506 54.000 0.007 0.000 0.840 452 D CB -0.277 40.512 40.800 -0.020 0.000 0.947 452 D HN 0.431 nan 8.370 nan 0.000 0.452 453 R N -0.459 120.046 120.500 0.007 0.000 2.075 453 R HA -0.076 4.267 4.340 0.005 0.000 0.232 453 R C 2.339 178.616 176.300 -0.037 0.000 1.126 453 R CA 0.593 56.673 56.100 -0.034 0.000 0.963 453 R CB -0.481 29.777 30.300 -0.069 0.000 0.858 453 R HN 0.153 nan 8.270 nan 0.000 0.435 454 F N 1.638 121.506 119.950 -0.136 0.000 2.095 454 F HA -0.162 4.368 4.527 0.006 0.000 0.298 454 F C 1.863 177.615 175.800 -0.080 0.000 1.104 454 F CA 1.507 59.436 58.000 -0.119 0.000 1.232 454 F CB -0.143 38.805 39.000 -0.086 0.000 0.987 454 F HN -0.104 nan 8.300 nan 0.000 0.475 455 L N -0.401 120.870 121.223 0.082 0.000 2.275 455 L HA -0.114 4.229 4.340 0.005 0.000 0.215 455 L C 2.346 179.171 176.870 -0.075 0.000 1.119 455 L CA 0.882 55.718 54.840 -0.008 0.000 0.790 455 L CB -0.962 41.126 42.059 0.048 0.000 0.919 455 L HN 0.230 nan 8.230 nan 0.000 0.443 456 A N -0.515 122.261 122.820 -0.075 0.000 2.251 456 A HA 0.345 4.669 4.320 0.005 0.000 0.209 456 A C 1.733 179.256 177.584 -0.100 0.000 1.187 456 A CA 0.664 52.657 52.037 -0.073 0.000 0.823 456 A CB -0.271 18.700 19.000 -0.049 0.000 0.846 456 A HN 0.490 nan 8.150 nan 0.000 0.486 457 G N -0.970 107.732 108.800 -0.164 0.000 2.157 457 G HA2 -0.319 3.644 3.960 0.005 0.000 0.248 457 G HA3 -0.319 3.644 3.960 0.005 0.000 0.248 457 G C 0.716 175.529 174.900 -0.146 0.000 0.979 457 G CA 0.587 45.584 45.100 -0.172 0.000 0.650 457 G HN 0.548 nan 8.290 nan 0.000 0.529 458 Q N -0.687 119.026 119.800 -0.146 0.000 2.378 458 Q HA 0.278 4.621 4.340 0.005 0.000 0.205 458 Q C 1.012 176.905 176.000 -0.179 0.000 0.954 458 Q CA 0.636 56.369 55.803 -0.117 0.000 0.901 458 Q CB 0.387 29.069 28.738 -0.093 0.000 0.981 458 Q HN 0.693 nan 8.270 nan 0.000 0.483 459 I N 1.976 122.391 120.570 -0.259 0.000 2.330 459 I HA 0.158 4.331 4.170 0.005 0.000 0.286 459 I C -0.558 175.485 176.117 -0.122 0.000 1.025 459 I CA -0.505 60.657 61.300 -0.230 0.000 1.197 459 I CB 0.968 38.845 38.000 -0.206 0.000 1.358 459 I HN -0.052 nan 8.210 nan 0.000 0.467 460 Q N 6.798 126.587 119.800 -0.018 0.000 2.340 460 Q HA 0.533 4.876 4.340 0.005 0.000 0.268 460 Q C -2.344 173.689 176.000 0.054 0.000 1.031 460 Q CA -1.831 53.968 55.803 -0.007 0.000 0.804 460 Q CB 2.243 30.975 28.738 -0.011 0.000 1.286 460 Q HN 0.332 nan 8.270 nan 0.000 0.448 461 P HA 0.245 nan 4.420 nan 0.000 0.272 461 P C -0.273 177.040 177.300 0.023 0.000 1.240 461 P CA -0.239 62.873 63.100 0.020 0.000 0.791 461 P CB 0.597 32.321 31.700 0.039 0.000 0.978 462 M N 1.345 120.915 119.600 -0.049 0.000 3.596 462 M HA 0.139 4.622 4.480 0.005 0.000 0.219 462 M C 0.020 176.449 176.300 0.216 0.000 1.471 462 M CA 0.222 55.476 55.300 -0.077 0.000 1.644 462 M CB -1.007 31.341 32.600 -0.421 0.000 1.083 462 M HN 0.438 nan 8.290 nan 0.000 0.579 463 T N -3.157 111.555 114.554 0.263 0.000 2.841 463 T HA 0.364 4.717 4.350 0.005 0.000 0.296 463 T C 0.341 175.150 174.700 0.182 0.000 1.166 463 T CA -1.072 61.145 62.100 0.196 0.000 1.007 463 T CB 1.503 70.436 68.868 0.109 0.000 1.253 463 T HN 0.248 nan 8.240 nan 0.000 0.511 464 L N 0.819 122.104 121.223 0.102 0.000 2.042 464 L HA 0.052 4.396 4.340 0.005 0.000 0.210 464 L C 2.496 179.416 176.870 0.083 0.000 1.076 464 L CA 2.306 57.186 54.840 0.067 0.000 0.749 464 L CB -1.038 41.026 42.059 0.008 0.000 0.893 464 L HN 0.976 nan 8.230 nan 0.000 0.432 465 E N -1.006 119.238 120.200 0.073 0.000 2.077 465 E HA -0.172 4.181 4.350 0.005 0.000 0.193 465 E C 2.107 178.786 176.600 0.132 0.000 0.989 465 E CA 1.088 57.536 56.400 0.080 0.000 0.800 465 E CB -0.494 29.241 29.700 0.059 0.000 0.746 465 E HN 0.616 nan 8.360 nan 0.000 0.452 466 G N 0.600 109.488 108.800 0.146 0.000 2.418 466 G HA2 -0.275 3.688 3.960 0.005 0.000 0.217 466 G HA3 -0.275 3.688 3.960 0.005 0.000 0.217 466 G C 1.632 176.680 174.900 0.246 0.000 1.158 466 G CA 0.930 46.136 45.100 0.176 0.000 0.771 466 G HN 0.418 nan 8.290 nan 0.000 0.545 467 A N 0.689 123.664 122.820 0.258 0.000 1.877 467 A HA 0.076 4.399 4.320 0.005 0.000 0.216 467 A C 2.451 180.248 177.584 0.354 0.000 1.186 467 A CA 1.339 53.555 52.037 0.299 0.000 0.620 467 A CB -0.469 18.655 19.000 0.207 0.000 0.822 467 A HN 0.349 nan 8.150 nan 0.000 0.443 468 L N -0.579 120.816 121.223 0.286 0.000 2.012 468 L HA -0.232 4.111 4.340 0.005 0.000 0.210 468 L C 2.613 179.749 176.870 0.444 0.000 1.073 468 L CA 1.572 56.627 54.840 0.359 0.000 0.748 468 L CB -0.494 41.645 42.059 0.135 0.000 0.891 468 L HN 0.278 nan 8.230 nan 0.000 0.431 469 K N -0.571 120.020 120.400 0.319 0.000 2.057 469 K HA -0.218 4.105 4.320 0.005 0.000 0.207 469 K C 2.094 178.860 176.600 0.276 0.000 1.049 469 K CA 1.513 57.968 56.287 0.279 0.000 0.931 469 K CB -0.585 32.040 32.500 0.208 0.000 0.714 469 K HN 0.270 nan 8.250 nan 0.000 0.440 470 Y N 1.454 121.870 120.300 0.194 0.000 2.165 470 Y HA -0.143 4.410 4.550 0.004 0.000 0.286 470 Y C 2.082 178.092 175.900 0.183 0.000 1.155 470 Y CA 1.582 59.783 58.100 0.170 0.000 1.164 470 Y CB -0.195 38.368 38.460 0.172 0.000 0.978 470 Y HN -0.047 nan 8.280 nan 0.000 0.513 471 M N -0.752 119.023 119.600 0.291 0.000 2.630 471 M HA 0.050 4.533 4.480 0.005 0.000 0.254 471 M C 1.497 177.863 176.300 0.110 0.000 1.092 471 M CA 1.308 56.744 55.300 0.226 0.000 1.087 471 M CB -0.176 32.686 32.600 0.436 0.000 1.453 471 M HN 0.590 nan 8.290 nan 0.000 0.509 472 G N 0.100 108.963 108.800 0.104 0.000 2.163 472 G HA2 -0.221 3.742 3.960 0.005 0.000 0.213 472 G HA3 -0.221 3.742 3.960 0.005 0.000 0.213 472 G C -0.111 174.840 174.900 0.085 0.000 0.991 472 G CA -0.708 44.395 45.100 0.005 0.000 0.653 472 G HN 0.331 nan 8.290 nan 0.000 0.518 473 F N 1.049 121.212 119.950 0.356 0.000 2.529 473 F HA 0.454 4.984 4.527 0.004 0.000 0.365 473 F C 1.706 177.640 175.800 0.222 0.000 1.102 473 F CA 0.753 58.979 58.000 0.376 0.000 1.271 473 F CB 1.009 40.172 39.000 0.271 0.000 1.120 473 F HN 0.111 nan 8.300 nan 0.000 0.579 474 Q N 0.754 120.787 119.800 0.389 0.000 2.214 474 Q HA 0.165 4.508 4.340 0.005 0.000 0.229 474 Q C -0.183 175.934 176.000 0.195 0.000 0.835 474 Q CA -0.020 55.916 55.803 0.222 0.000 0.953 474 Q CB 0.906 29.727 28.738 0.139 0.000 1.131 474 Q HN 0.683 nan 8.270 nan 0.000 0.501 475 S N -1.584 114.257 115.700 0.236 0.000 2.565 475 S HA 0.277 4.750 4.470 0.005 0.000 0.269 475 S C 0.185 174.872 174.600 0.146 0.000 1.153 475 S CA -0.809 57.488 58.200 0.162 0.000 0.835 475 S CB 0.777 64.063 63.200 0.142 0.000 1.122 475 S HN 0.187 nan 8.310 nan 0.000 0.462 476 I N 1.245 121.866 120.570 0.084 0.000 2.361 476 I HA -0.077 4.096 4.170 0.005 0.000 0.251 476 I C 1.898 178.033 176.117 0.031 0.000 1.133 476 I CA 1.701 63.022 61.300 0.036 0.000 1.413 476 I CB -0.103 37.907 38.000 0.017 0.000 1.073 476 I HN 0.868 nan 8.210 nan 0.000 0.424 477 E N 0.678 120.921 120.200 0.071 0.000 2.268 477 E HA -0.201 4.152 4.350 0.005 0.000 0.195 477 E C 1.902 178.563 176.600 0.101 0.000 0.995 477 E CA 1.029 57.473 56.400 0.074 0.000 0.836 477 E CB -0.063 29.696 29.700 0.098 0.000 0.763 477 E HN 0.594 nan 8.360 nan 0.000 0.491 478 E N -0.242 120.067 120.200 0.183 0.000 2.216 478 E HA -0.038 4.315 4.350 0.005 0.000 0.192 478 E C 0.104 176.800 176.600 0.160 0.000 0.988 478 E CA 0.116 56.700 56.400 0.306 0.000 0.834 478 E CB 0.030 30.105 29.700 0.624 0.000 0.772 478 E HN 0.188 nan 8.360 nan 0.000 0.479 479 M N 0.875 120.405 119.600 -0.117 0.000 2.239 479 M HA 0.078 4.561 4.480 0.005 0.000 0.348 479 M C 0.624 176.728 176.300 -0.326 0.000 1.239 479 M CA 0.234 55.244 55.300 -0.483 0.000 1.114 479 M CB 0.909 33.186 32.600 -0.538 0.000 1.641 479 M HN -0.059 nan 8.290 nan 0.000 0.453 480 G N 3.642 112.198 108.800 -0.407 0.000 2.432 480 G HA2 0.282 4.245 3.960 0.005 0.000 0.239 480 G HA3 0.282 4.245 3.960 0.005 0.000 0.239 480 G C -0.399 174.281 174.900 -0.367 0.000 1.291 480 G CA -0.479 44.376 45.100 -0.408 0.000 0.863 480 G HN 0.667 nan 8.290 nan 0.000 0.560 481 K N 0.436 120.644 120.400 -0.320 0.000 2.378 481 K HA 0.224 4.548 4.320 0.005 0.000 0.244 481 K C -0.640 175.758 176.600 -0.337 0.000 1.039 481 K CA -0.936 55.174 56.287 -0.295 0.000 0.863 481 K CB 1.915 34.301 32.500 -0.190 0.000 1.326 481 K HN 0.592 nan 8.250 nan 0.000 0.460 482 D N 0.717 120.884 120.400 -0.389 0.000 2.458 482 D HA -0.011 4.632 4.640 0.005 0.000 0.243 482 D C 0.664 176.867 176.300 -0.161 0.000 1.146 482 D CA 0.194 54.022 54.000 -0.285 0.000 0.877 482 D CB 1.456 41.886 40.800 -0.617 0.000 1.176 482 D HN 0.618 nan 8.370 nan 0.000 0.461 483 A N 4.224 127.004 122.820 -0.066 0.000 1.940 483 A HA -0.209 4.114 4.320 0.005 0.000 0.219 483 A C 1.359 178.760 177.584 -0.304 0.000 1.176 483 A CA 1.399 53.301 52.037 -0.225 0.000 0.631 483 A CB -0.427 18.382 19.000 -0.318 0.000 0.814 483 A HN 0.778 nan 8.150 nan 0.000 0.446 484 H N -0.523 118.566 119.070 0.032 0.000 2.505 484 H HA 0.202 4.761 4.556 0.005 0.000 0.286 484 H C -0.526 174.816 175.328 0.023 0.000 1.072 484 H CA -0.086 56.000 56.048 0.064 0.000 1.141 484 H CB 0.233 30.103 29.762 0.179 0.000 1.550 484 H HN 0.329 nan 8.280 nan 0.000 0.547 485 D N 0.509 120.913 120.400 0.006 0.000 2.692 485 D HA -0.264 4.379 4.640 0.005 0.000 0.233 485 D C -0.235 176.134 176.300 0.115 0.000 1.172 485 D CA 0.973 54.973 54.000 -0.001 0.000 0.636 485 D CB -1.673 39.171 40.800 0.073 0.000 1.028 485 D HN 0.540 nan 8.370 nan 0.000 0.419 486 F N -3.447 116.571 119.950 0.115 0.000 2.973 486 F HA -0.375 4.155 4.527 0.005 0.000 0.299 486 F C 1.994 177.512 175.800 -0.470 0.000 0.737 486 F CA 0.750 58.565 58.000 -0.309 0.000 1.151 486 F CB -1.934 36.907 39.000 -0.265 0.000 1.440 486 F HN 0.343 nan 8.300 nan 0.000 0.367 487 A N 0.843 123.653 122.820 -0.016 0.000 2.076 487 A HA -0.192 4.132 4.320 0.005 0.000 0.220 487 A C 1.873 179.440 177.584 -0.027 0.000 1.160 487 A CA 1.490 53.526 52.037 -0.002 0.000 0.653 487 A CB -0.949 18.109 19.000 0.096 0.000 0.801 487 A HN 0.797 nan 8.150 nan 0.000 0.455 488 W N -1.206 120.108 121.300 0.023 0.000 2.421 488 W HA 0.034 4.697 4.660 0.005 0.000 0.270 488 W C 1.740 178.266 176.519 0.012 0.000 1.233 488 W CA 0.814 58.129 57.345 -0.049 0.000 1.226 488 W CB -1.038 28.349 29.460 -0.122 0.000 1.121 488 W HN 0.382 nan 8.180 nan 0.000 0.579 489 A N 1.729 124.309 122.820 -0.400 0.000 2.015 489 A HA -0.187 4.136 4.320 0.005 0.000 0.219 489 A C 1.689 179.224 177.584 -0.081 0.000 1.163 489 A CA 1.827 53.673 52.037 -0.319 0.000 0.646 489 A CB -0.815 17.844 19.000 -0.568 0.000 0.806 489 A HN 0.110 nan 8.150 nan 0.000 0.448 490 D N 0.173 120.532 120.400 -0.068 0.000 2.265 490 D HA -0.108 4.535 4.640 0.005 0.000 0.208 490 D C 1.498 177.809 176.300 0.018 0.000 0.977 490 D CA 1.051 55.039 54.000 -0.020 0.000 0.871 490 D CB -0.124 40.667 40.800 -0.015 0.000 0.925 490 D HN 0.516 nan 8.370 nan 0.000 0.485 491 K N -0.333 120.097 120.400 0.051 0.000 2.393 491 K HA 0.093 4.416 4.320 0.005 0.000 0.193 491 K C 0.715 177.362 176.600 0.078 0.000 1.026 491 K CA -0.018 56.306 56.287 0.061 0.000 1.064 491 K CB 0.548 33.088 32.500 0.065 0.000 0.833 491 K HN 0.131 nan 8.250 nan 0.000 0.521 492 C N 0.000 119.358 119.300 0.097 0.000 2.653 492 C HA 0.000 4.463 4.460 0.005 0.000 0.325 492 C CA 0.000 59.085 59.018 0.112 0.000 1.963 492 C CB 0.000 27.847 27.740 0.178 0.000 2.134 492 C HN 0.000 nan 8.230 nan 0.000 0.568