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 2v3w_1_D DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAA RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVSPV 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 0.000 177.671 177.584 0.145 0.000 1.274 2 A CA 0.000 52.114 52.037 0.128 0.000 0.836 2 A CB 0.000 19.097 19.000 0.161 0.000 0.831 3 S N 0.220 116.021 115.700 0.168 0.000 2.632 3 S HA 0.467 4.936 4.470 -0.000 0.000 0.267 3 S C 1.161 175.916 174.600 0.258 0.000 1.276 3 S CA 0.052 58.372 58.200 0.200 0.000 0.998 3 S CB 1.087 64.417 63.200 0.217 0.000 0.953 3 S HN 1.453 nan 8.310 nan 0.000 0.547 4 V N 1.745 121.819 119.914 0.267 0.000 2.392 4 V HA -0.196 3.924 4.120 -0.000 0.000 0.249 4 V C 2.559 178.956 176.094 0.505 0.000 1.059 4 V CA 2.255 64.732 62.300 0.295 0.000 1.051 4 V CB -1.444 30.465 31.823 0.144 0.000 0.658 4 V HN 1.039 nan 8.190 nan 0.000 0.455 5 H N 0.881 120.261 119.070 0.517 0.000 2.251 5 H HA -0.193 4.363 4.556 -0.000 0.000 0.294 5 H C 2.323 177.867 175.328 0.359 0.000 1.078 5 H CA 2.426 58.775 56.048 0.502 0.000 1.246 5 H CB -0.547 29.430 29.762 0.359 0.000 1.358 5 H HN 0.421 nan 8.280 nan 0.000 0.488 6 G N -0.792 108.273 108.800 0.441 0.000 2.418 6 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 6 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 6 G C 1.808 176.838 174.900 0.216 0.000 1.158 6 G CA 1.321 46.596 45.100 0.291 0.000 0.771 6 G HN 0.466 nan 8.290 nan 0.000 0.545 7 T N 0.820 115.535 114.554 0.268 0.000 2.821 7 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 7 T C 2.616 177.491 174.700 0.292 0.000 1.046 7 T CA 1.724 64.020 62.100 0.325 0.000 1.139 7 T CB -0.403 68.673 68.868 0.346 0.000 0.871 7 T HN 0.277 nan 8.240 nan 0.000 0.454 8 T N 0.887 115.588 114.554 0.246 0.000 2.770 8 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 8 T C 1.649 176.337 174.700 -0.019 0.000 1.039 8 T CA 0.948 63.154 62.100 0.176 0.000 1.142 8 T CB -0.473 68.591 68.868 0.327 0.000 0.868 8 T HN 0.364 nan 8.240 nan 0.000 0.435 9 Y N 1.453 121.687 120.300 -0.111 0.000 2.274 9 Y HA -0.089 4.461 4.550 0.000 0.000 0.290 9 Y C 2.592 178.402 175.900 -0.151 0.000 1.145 9 Y CA 1.145 59.053 58.100 -0.320 0.000 1.203 9 Y CB -0.307 37.801 38.460 -0.587 0.000 0.984 9 Y HN 0.191 nan 8.280 nan 0.000 0.533 10 E N 0.303 120.496 120.200 -0.012 0.000 2.047 10 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 10 E C 2.068 178.506 176.600 -0.270 0.000 0.987 10 E CA 0.969 57.231 56.400 -0.230 0.000 0.799 10 E CB -0.576 28.813 29.700 -0.519 0.000 0.752 10 E HN 0.334 nan 8.360 nan 0.000 0.449 11 L N 0.251 121.426 121.223 -0.081 0.000 2.012 11 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 11 L C 2.159 179.090 176.870 0.103 0.000 1.073 11 L CA 1.705 56.644 54.840 0.165 0.000 0.748 11 L CB -0.624 41.631 42.059 0.327 0.000 0.891 11 L HN 0.275 nan 8.230 nan 0.000 0.431 12 L N -0.635 120.640 121.223 0.086 0.000 1.970 12 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 12 L C 2.833 179.786 176.870 0.138 0.000 1.071 12 L CA 1.974 56.878 54.840 0.108 0.000 0.751 12 L CB -0.709 41.405 42.059 0.091 0.000 0.889 12 L HN 0.351 nan 8.230 nan 0.000 0.432 13 R N 0.085 120.721 120.500 0.226 0.000 2.112 13 R HA -0.207 4.133 4.340 -0.000 0.000 0.242 13 R C 2.454 178.756 176.300 0.004 0.000 1.137 13 R CA 1.695 57.844 56.100 0.082 0.000 0.944 13 R CB -0.155 30.232 30.300 0.145 0.000 0.857 13 R HN 0.236 nan 8.270 nan 0.000 0.435 14 R N 0.025 120.523 120.500 -0.003 0.000 2.189 14 R HA -0.053 4.287 4.340 -0.000 0.000 0.223 14 R C 1.652 177.994 176.300 0.069 0.000 1.092 14 R CA 0.845 56.956 56.100 0.018 0.000 0.989 14 R CB -0.033 30.274 30.300 0.011 0.000 0.876 14 R HN 0.452 nan 8.270 nan 0.000 0.457 15 Q N -0.624 119.219 119.800 0.072 0.000 2.280 15 Q HA 0.138 4.478 4.340 -0.000 0.000 0.201 15 Q C 0.623 176.655 176.000 0.053 0.000 0.890 15 Q CA 0.465 56.311 55.803 0.073 0.000 0.947 15 Q CB 1.134 29.900 28.738 0.046 0.000 1.081 15 Q HN 0.530 nan 8.270 nan 0.000 0.502 16 G N 1.230 110.047 108.800 0.028 0.000 2.144 16 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 16 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 16 G C 0.088 174.983 174.900 -0.009 0.000 0.988 16 G CA -0.301 44.804 45.100 0.008 0.000 0.659 16 G HN 0.310 nan 8.290 nan 0.000 0.522 17 I N 1.730 122.289 120.570 -0.018 0.000 2.331 17 I HA 0.437 4.607 4.170 -0.000 0.000 0.292 17 I C 0.598 176.514 176.117 -0.335 0.000 0.998 17 I CA -0.144 61.141 61.300 -0.024 0.000 1.267 17 I CB 1.434 39.492 38.000 0.096 0.000 1.386 17 I HN 0.225 nan 8.210 nan 0.000 0.476 18 D N 1.743 121.914 120.400 -0.382 0.000 2.525 18 D HA 0.081 4.721 4.640 -0.000 0.000 0.231 18 D C -0.107 175.936 176.300 -0.428 0.000 1.216 18 D CA -0.016 53.503 54.000 -0.801 0.000 0.813 18 D CB 0.509 40.999 40.800 -0.515 0.000 1.108 18 D HN 0.280 nan 8.370 nan 0.000 0.524 19 T N 0.290 114.753 114.554 -0.152 0.000 2.881 19 T HA 0.560 4.910 4.350 -0.000 0.000 0.290 19 T C -0.740 173.941 174.700 -0.032 0.000 1.000 19 T CA -0.605 61.389 62.100 -0.176 0.000 0.978 19 T CB 2.568 71.146 68.868 -0.483 0.000 0.997 19 T HN -0.136 nan 8.240 nan 0.000 0.443 20 V N 3.933 123.864 119.914 0.028 0.000 2.409 20 V HA 0.499 4.619 4.120 -0.000 0.000 0.291 20 V C -0.895 175.007 176.094 -0.320 0.000 1.020 20 V CA -0.862 61.581 62.300 0.238 0.000 0.848 20 V CB 0.672 32.892 31.823 0.662 0.000 0.990 20 V HN 0.802 nan 8.190 nan 0.000 0.430 21 F N 3.127 123.052 119.950 -0.041 0.000 2.410 21 F HA 0.800 5.327 4.527 -0.000 0.000 0.349 21 F C 0.907 176.577 175.800 -0.217 0.000 1.117 21 F CA -0.085 57.772 58.000 -0.239 0.000 1.104 21 F CB 1.789 40.693 39.000 -0.159 0.000 1.122 21 F HN 0.619 nan 8.300 nan 0.000 0.483 22 G N 2.214 110.872 108.800 -0.236 0.000 2.660 22 G HA2 0.310 4.270 3.960 -0.000 0.000 0.290 22 G HA3 0.310 4.270 3.960 -0.000 0.000 0.290 22 G C -2.229 172.722 174.900 0.085 0.000 1.432 22 G CA -0.901 44.190 45.100 -0.016 0.000 0.807 22 G HN 0.539 nan 8.290 nan 0.000 0.485 23 N N 1.040 119.846 118.700 0.176 0.000 2.461 23 N HA 0.453 5.193 4.740 -0.000 0.000 0.284 23 N C -2.819 172.791 175.510 0.167 0.000 1.049 23 N CA -1.245 51.905 53.050 0.166 0.000 0.889 23 N CB 3.342 41.885 38.487 0.094 0.000 1.365 23 N HN 0.310 nan 8.380 nan 0.000 0.499 24 P HA 0.476 nan 4.420 nan 0.000 0.278 24 P C -0.318 176.911 177.300 -0.118 0.000 1.266 24 P CA -0.039 63.093 63.100 0.052 0.000 0.807 24 P CB 1.814 33.502 31.700 -0.020 0.000 1.094 25 G N -1.155 107.530 108.800 -0.192 0.000 2.600 25 G HA2 0.351 4.311 3.960 -0.000 0.000 0.293 25 G HA3 0.351 4.311 3.960 -0.000 0.000 0.293 25 G C 0.703 175.485 174.900 -0.197 0.000 1.408 25 G CA 0.128 44.880 45.100 -0.578 0.000 0.782 25 G HN 0.418 nan 8.290 nan 0.000 0.482 26 S N -0.015 115.608 115.700 -0.128 0.000 2.370 26 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 26 S C 1.670 176.247 174.600 -0.039 0.000 1.033 26 S CA 1.884 60.051 58.200 -0.054 0.000 1.011 26 S CB -0.355 62.824 63.200 -0.035 0.000 0.852 26 S HN 0.443 nan 8.310 nan 0.000 0.457 27 N N 1.826 120.654 118.700 0.212 0.000 2.585 27 N HA 0.015 4.755 4.740 -0.000 0.000 0.188 27 N C 0.964 176.655 175.510 0.302 0.000 1.102 27 N CA 1.060 54.272 53.050 0.270 0.000 0.920 27 N CB -0.275 38.400 38.487 0.314 0.000 0.963 27 N HN 0.637 nan 8.380 nan 0.000 0.447 28 E N -0.566 119.776 120.200 0.237 0.000 2.473 28 E HA 0.225 4.575 4.350 -0.000 0.000 0.204 28 E C 1.754 178.438 176.600 0.141 0.000 0.994 28 E CA -0.129 56.413 56.400 0.237 0.000 0.945 28 E CB 0.139 29.984 29.700 0.243 0.000 0.990 28 E HN 0.203 nan 8.360 nan 0.000 0.493 29 L N 1.001 122.249 121.223 0.042 0.000 2.046 29 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 29 L C -0.689 176.190 176.870 0.014 0.000 1.077 29 L CA 1.318 56.146 54.840 -0.020 0.000 0.747 29 L CB -1.403 40.611 42.059 -0.075 0.000 0.896 29 L HN 0.127 nan 8.230 nan 0.000 0.432 30 P HA -0.168 nan 4.420 nan 0.000 0.226 30 P C 1.351 178.715 177.300 0.105 0.000 1.153 30 P CA 1.053 64.257 63.100 0.174 0.000 0.777 30 P CB 0.007 31.944 31.700 0.395 0.000 0.794 31 F N 0.163 119.893 119.950 -0.366 0.000 2.219 31 F HA 0.034 4.561 4.527 0.000 0.000 0.294 31 F C 1.725 177.443 175.800 -0.138 0.000 1.086 31 F CA 1.238 58.772 58.000 -0.777 0.000 1.330 31 F CB -0.702 37.665 39.000 -1.055 0.000 1.047 31 F HN -0.283 nan 8.300 nan 0.000 0.495 32 L N 0.821 121.941 121.223 -0.170 0.000 2.418 32 L HA -0.020 4.320 4.340 -0.000 0.000 0.218 32 L C 1.070 177.895 176.870 -0.074 0.000 1.125 32 L CA 0.113 54.835 54.840 -0.197 0.000 0.835 32 L CB -0.763 41.151 42.059 -0.241 0.000 0.953 32 L HN 0.044 nan 8.230 nan 0.000 0.454 33 K N -0.041 120.343 120.400 -0.026 0.000 2.380 33 K HA -0.057 4.263 4.320 -0.000 0.000 0.267 33 K C -0.273 176.316 176.600 -0.019 0.000 0.990 33 K CA -0.305 55.957 56.287 -0.042 0.000 0.946 33 K CB 0.270 32.730 32.500 -0.066 0.000 0.937 33 K HN -0.038 nan 8.250 nan 0.000 0.491 34 D N 0.560 120.923 120.400 -0.062 0.000 2.704 34 D HA -0.229 4.411 4.640 -0.000 0.000 0.232 34 D C -0.693 175.544 176.300 -0.104 0.000 1.183 34 D CA 0.865 54.816 54.000 -0.081 0.000 0.647 34 D CB -1.145 39.574 40.800 -0.134 0.000 1.013 34 D HN 0.467 nan 8.370 nan 0.000 0.415 35 F N 1.220 121.011 119.950 -0.265 0.000 2.578 35 F HA 0.195 4.721 4.527 -0.000 0.000 0.381 35 F C -1.518 174.068 175.800 -0.357 0.000 1.069 35 F CA -1.590 56.175 58.000 -0.392 0.000 1.231 35 F CB 0.455 39.288 39.000 -0.277 0.000 1.086 35 F HN -0.100 nan 8.300 nan 0.000 0.564 36 P HA 0.124 nan 4.420 nan 0.000 0.275 36 P C -0.106 176.981 177.300 -0.355 0.000 1.228 36 P CA -0.082 62.668 63.100 -0.583 0.000 0.786 36 P CB 0.748 32.048 31.700 -0.667 0.000 0.927 37 E N 0.791 120.890 120.200 -0.169 0.000 2.268 37 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 37 E C 1.037 177.603 176.600 -0.058 0.000 0.995 37 E CA 1.128 57.481 56.400 -0.077 0.000 0.836 37 E CB -0.329 29.340 29.700 -0.052 0.000 0.763 37 E HN 0.558 nan 8.360 nan 0.000 0.491 38 D N -0.470 119.894 120.400 -0.060 0.000 2.340 38 D HA -0.066 4.574 4.640 -0.000 0.000 0.220 38 D C -0.239 175.957 176.300 -0.173 0.000 1.039 38 D CA -0.037 53.911 54.000 -0.086 0.000 0.866 38 D CB -0.152 40.591 40.800 -0.094 0.000 0.913 38 D HN 0.015 nan 8.370 nan 0.000 0.523 39 F N 0.869 120.628 119.950 -0.318 0.000 2.470 39 F HA 0.446 4.973 4.527 -0.000 0.000 0.329 39 F C 0.798 176.565 175.800 -0.054 0.000 1.072 39 F CA -1.191 56.621 58.000 -0.315 0.000 0.989 39 F CB 1.676 40.234 39.000 -0.736 0.000 1.193 39 F HN -0.308 nan 8.300 nan 0.000 0.481 40 R N 2.304 122.943 120.500 0.230 0.000 2.437 40 R HA 0.365 4.705 4.340 -0.000 0.000 0.310 40 R C -2.051 174.445 176.300 0.326 0.000 0.955 40 R CA -0.629 55.618 56.100 0.245 0.000 0.851 40 R CB 0.962 31.263 30.300 0.001 0.000 1.161 40 R HN 0.711 nan 8.270 nan 0.000 0.446 41 Y N 5.928 126.340 120.300 0.186 0.000 2.335 41 Y HA 0.388 4.938 4.550 -0.000 0.000 0.339 41 Y C -0.737 175.075 175.900 -0.146 0.000 0.987 41 Y CA -0.899 57.161 58.100 -0.067 0.000 1.140 41 Y CB 1.024 39.258 38.460 -0.377 0.000 1.173 41 Y HN 0.456 nan 8.280 nan 0.000 0.486 42 I N 8.393 128.524 120.570 -0.732 0.000 2.359 42 I HA 0.157 4.327 4.170 -0.000 0.000 0.284 42 I C -0.764 175.050 176.117 -0.505 0.000 1.018 42 I CA -0.832 60.036 61.300 -0.720 0.000 1.173 42 I CB 0.846 38.380 38.000 -0.777 0.000 1.326 42 I HN 0.507 nan 8.210 nan 0.000 0.462 43 L N 6.923 128.129 121.223 -0.029 0.000 2.319 43 L HA 0.678 5.018 4.340 -0.000 0.000 0.280 43 L C 0.141 177.198 176.870 0.313 0.000 1.099 43 L CA 0.254 55.226 54.840 0.219 0.000 0.828 43 L CB 0.966 43.344 42.059 0.532 0.000 1.150 43 L HN 0.686 nan 8.230 nan 0.000 0.442 44 A N 5.087 128.016 122.820 0.181 0.000 2.354 44 A HA 0.582 4.902 4.320 -0.000 0.000 0.321 44 A C 0.482 178.104 177.584 0.063 0.000 1.125 44 A CA -0.646 51.497 52.037 0.175 0.000 0.799 44 A CB 1.030 20.090 19.000 0.099 0.000 1.293 44 A HN 0.867 nan 8.150 nan 0.000 0.452 45 L N -0.278 120.924 121.223 -0.034 0.000 2.492 45 L HA 0.121 4.461 4.340 -0.000 0.000 0.223 45 L C 1.063 177.886 176.870 -0.080 0.000 1.132 45 L CA 0.796 55.542 54.840 -0.157 0.000 0.850 45 L CB 0.006 41.871 42.059 -0.323 0.000 0.966 45 L HN 0.708 nan 8.230 nan 0.000 0.454 46 Q N -0.573 119.207 119.800 -0.033 0.000 2.456 46 Q HA 0.157 4.497 4.340 -0.000 0.000 0.284 46 Q C -0.387 175.626 176.000 0.021 0.000 1.061 46 Q CA -0.304 55.498 55.803 -0.002 0.000 0.799 46 Q CB 2.419 31.156 28.738 -0.001 0.000 1.445 46 Q HN -0.035 nan 8.270 nan 0.000 0.411 47 E N 0.602 120.823 120.200 0.035 0.000 2.285 47 E HA 0.025 4.375 4.350 -0.000 0.000 0.194 47 E C 1.351 177.973 176.600 0.036 0.000 0.997 47 E CA 1.149 57.575 56.400 0.045 0.000 0.845 47 E CB 0.119 29.854 29.700 0.059 0.000 0.782 47 E HN 0.624 nan 8.360 nan 0.000 0.491 48 A N 0.050 122.892 122.820 0.036 0.000 1.969 48 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 48 A C 2.151 179.749 177.584 0.022 0.000 1.169 48 A CA 1.103 53.162 52.037 0.037 0.000 0.635 48 A CB -0.687 18.346 19.000 0.055 0.000 0.810 48 A HN 0.396 nan 8.150 nan 0.000 0.445 49 C N -1.494 117.815 119.300 0.015 0.000 2.500 49 C HA 0.003 4.463 4.460 -0.000 0.000 0.279 49 C C 2.638 177.618 174.990 -0.017 0.000 1.288 49 C CA 0.643 59.660 59.018 -0.003 0.000 1.710 49 C CB -1.206 26.535 27.740 0.001 0.000 2.052 49 C HN 0.440 nan 8.230 nan 0.000 0.488 50 V N 1.362 121.279 119.914 0.005 0.000 2.250 50 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 50 V C 2.440 178.494 176.094 -0.066 0.000 1.060 50 V CA 2.503 64.806 62.300 0.005 0.000 1.030 50 V CB -0.861 30.986 31.823 0.040 0.000 0.643 50 V HN 0.475 nan 8.190 nan 0.000 0.445 51 V N 0.564 120.455 119.914 -0.039 0.000 2.427 51 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 51 V C 2.593 178.636 176.094 -0.084 0.000 1.051 51 V CA 1.958 64.226 62.300 -0.053 0.000 1.048 51 V CB -1.323 30.502 31.823 0.004 0.000 0.666 51 V HN 0.621 nan 8.190 nan 0.000 0.456 52 G N 0.081 108.843 108.800 -0.063 0.000 2.418 52 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.217 52 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.217 52 G C 1.575 176.346 174.900 -0.214 0.000 1.158 52 G CA 1.014 46.058 45.100 -0.093 0.000 0.771 52 G HN 0.474 nan 8.290 nan 0.000 0.545 53 I N 1.465 121.901 120.570 -0.222 0.000 2.113 53 I HA -0.171 3.999 4.170 -0.000 0.000 0.238 53 I C 3.337 179.134 176.117 -0.533 0.000 1.070 53 I CA 1.062 62.193 61.300 -0.282 0.000 1.332 53 I CB -0.361 37.536 38.000 -0.171 0.000 1.044 53 I HN 0.229 nan 8.210 nan 0.000 0.402 54 A N 0.323 122.630 122.820 -0.855 0.000 1.958 54 A HA -0.345 3.975 4.320 -0.000 0.000 0.221 54 A C 2.030 179.353 177.584 -0.435 0.000 1.178 54 A CA 2.560 53.915 52.037 -1.137 0.000 0.642 54 A CB -0.760 17.801 19.000 -0.732 0.000 0.816 54 A HN 0.501 nan 8.150 nan 0.000 0.453 55 D N -0.873 119.382 120.400 -0.242 0.000 2.103 55 D HA -0.021 4.619 4.640 -0.000 0.000 0.199 55 D C 2.113 178.355 176.300 -0.097 0.000 0.978 55 D CA 1.586 55.542 54.000 -0.074 0.000 0.829 55 D CB -0.685 40.151 40.800 0.060 0.000 0.981 55 D HN 0.286 nan 8.370 nan 0.000 0.464 56 G N -0.827 107.852 108.800 -0.201 0.000 2.440 56 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 56 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 56 G C 1.689 176.457 174.900 -0.220 0.000 1.154 56 G CA 1.004 45.917 45.100 -0.311 0.000 0.767 56 G HN 0.378 nan 8.290 nan 0.000 0.552 57 Y N 1.900 122.047 120.300 -0.256 0.000 2.181 57 Y HA -0.021 4.529 4.550 -0.000 0.000 0.288 57 Y C 2.944 178.798 175.900 -0.077 0.000 1.146 57 Y CA 1.557 59.576 58.100 -0.135 0.000 1.164 57 Y CB -0.269 38.134 38.460 -0.095 0.000 0.982 57 Y HN 0.252 nan 8.280 nan 0.000 0.515 58 A N -0.205 122.631 122.820 0.027 0.000 1.898 58 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 58 A C 2.107 179.670 177.584 -0.036 0.000 1.181 58 A CA 1.755 53.803 52.037 0.020 0.000 0.620 58 A CB -0.644 18.393 19.000 0.061 0.000 0.819 58 A HN 0.634 nan 8.150 nan 0.000 0.442 59 Q N -0.770 118.991 119.800 -0.066 0.000 2.079 59 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 59 Q C 2.431 178.427 176.000 -0.006 0.000 0.974 59 Q CA 1.275 57.063 55.803 -0.024 0.000 0.840 59 Q CB -0.311 28.386 28.738 -0.069 0.000 0.898 59 Q HN 0.680 nan 8.270 nan 0.000 0.430 60 A N 0.930 123.676 122.820 -0.124 0.000 1.872 60 A HA -0.159 4.161 4.320 -0.000 0.000 0.214 60 A C 2.216 179.747 177.584 -0.089 0.000 1.187 60 A CA 1.678 53.684 52.037 -0.052 0.000 0.614 60 A CB -0.570 18.355 19.000 -0.125 0.000 0.826 60 A HN 0.433 nan 8.150 nan 0.000 0.442 61 S N -1.257 114.317 115.700 -0.210 0.000 2.453 61 S HA -0.055 4.415 4.470 -0.000 0.000 0.231 61 S C 0.947 175.494 174.600 -0.089 0.000 1.005 61 S CA 0.706 58.778 58.200 -0.214 0.000 0.949 61 S CB -0.367 62.590 63.200 -0.406 0.000 0.774 61 S HN 0.535 nan 8.310 nan 0.000 0.510 62 R N 0.401 120.876 120.500 -0.043 0.000 3.531 62 R HA -0.106 4.234 4.340 -0.000 0.000 0.280 62 R C -0.891 175.416 176.300 0.012 0.000 1.130 62 R CA 0.904 57.008 56.100 0.006 0.000 0.757 62 R CB -2.099 28.212 30.300 0.018 0.000 1.218 62 R HN 0.550 nan 8.270 nan 0.000 0.454 63 K N -0.144 120.264 120.400 0.013 0.000 2.508 63 K HA 0.412 4.732 4.320 -0.000 0.000 0.260 63 K C -2.624 174.029 176.600 0.088 0.000 0.949 63 K CA -2.155 54.160 56.287 0.047 0.000 0.834 63 K CB 2.514 35.041 32.500 0.044 0.000 1.365 63 K HN -0.242 nan 8.250 nan 0.000 0.437 64 P HA -0.017 nan 4.420 nan 0.000 0.266 64 P C -1.309 176.128 177.300 0.228 0.000 1.195 64 P CA -0.061 63.125 63.100 0.144 0.000 0.768 64 P CB 0.613 32.390 31.700 0.129 0.000 0.838 65 A N 3.371 126.339 122.820 0.248 0.000 2.331 65 A HA 0.587 4.907 4.320 -0.000 0.000 0.320 65 A C -1.103 176.696 177.584 0.357 0.000 1.138 65 A CA -0.635 51.616 52.037 0.356 0.000 0.790 65 A CB 0.487 19.642 19.000 0.258 0.000 1.206 65 A HN 0.484 nan 8.150 nan 0.000 0.470 66 F N 2.651 122.788 119.950 0.313 0.000 2.408 66 F HA 0.731 5.258 4.527 -0.000 0.000 0.344 66 F C -0.498 175.495 175.800 0.321 0.000 1.112 66 F CA -0.586 57.576 58.000 0.269 0.000 1.096 66 F CB 0.816 39.972 39.000 0.260 0.000 1.129 66 F HN 0.430 nan 8.300 nan 0.000 0.486 67 I N 4.805 125.138 120.570 -0.394 0.000 2.545 67 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 67 I C -1.189 174.720 176.117 -0.347 0.000 1.040 67 I CA -0.882 60.325 61.300 -0.156 0.000 1.068 67 I CB 2.195 40.153 38.000 -0.070 0.000 1.251 67 I HN 0.530 nan 8.210 nan 0.000 0.424 68 N N 6.304 125.001 118.700 -0.004 0.000 2.491 68 N HA 0.616 5.356 4.740 -0.000 0.000 0.274 68 N C -1.561 174.028 175.510 0.133 0.000 1.023 68 N CA -0.315 52.783 53.050 0.081 0.000 0.902 68 N CB 1.041 39.759 38.487 0.386 0.000 1.267 68 N HN 0.465 nan 8.380 nan 0.000 0.503 69 L N 1.191 122.470 121.223 0.094 0.000 2.304 69 L HA 0.465 4.805 4.340 -0.000 0.000 0.268 69 L C -0.401 176.583 176.870 0.189 0.000 1.010 69 L CA -1.198 53.726 54.840 0.141 0.000 0.813 69 L CB 1.424 43.556 42.059 0.121 0.000 1.315 69 L HN 0.576 nan 8.230 nan 0.000 0.445 70 H N 0.693 119.818 119.070 0.092 0.000 2.724 70 H HA 0.355 4.911 4.556 -0.000 0.000 0.278 70 H C 0.192 175.574 175.328 0.089 0.000 1.159 70 H CA 0.720 56.822 56.048 0.090 0.000 1.254 70 H CB 0.564 30.371 29.762 0.075 0.000 1.412 70 H HN 0.705 nan 8.280 nan 0.000 0.488 71 S N 2.782 118.383 115.700 -0.166 0.000 3.330 71 S HA -0.350 4.120 4.470 -0.000 0.000 0.630 71 S C 1.677 176.258 174.600 -0.032 0.000 2.776 71 S CA 1.375 59.478 58.200 -0.163 0.000 3.494 71 S CB -1.390 61.585 63.200 -0.375 0.000 0.291 71 S HN 1.095 nan 8.310 nan 0.000 1.451 72 A N 0.442 123.235 122.820 -0.044 0.000 1.897 72 A HA 0.404 4.724 4.320 -0.000 0.000 0.215 72 A C 2.647 180.228 177.584 -0.006 0.000 1.181 72 A CA 2.316 54.344 52.037 -0.014 0.000 0.620 72 A CB -1.494 17.491 19.000 -0.025 0.000 0.821 72 A HN 1.766 nan 8.150 nan 0.000 0.443 73 A N -0.277 122.542 122.820 -0.003 0.000 1.877 73 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 73 A C 2.415 180.030 177.584 0.052 0.000 1.186 73 A CA 2.032 54.087 52.037 0.029 0.000 0.620 73 A CB -1.431 17.603 19.000 0.057 0.000 0.822 73 A HN 0.709 nan 8.150 nan 0.000 0.443 74 G N -1.377 107.471 108.800 0.079 0.000 2.402 74 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 74 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 74 G C 1.573 176.522 174.900 0.082 0.000 1.162 74 G CA 1.630 46.793 45.100 0.104 0.000 0.777 74 G HN 0.434 nan 8.290 nan 0.000 0.539 75 T N 1.001 115.603 114.554 0.080 0.000 2.746 75 T HA -0.038 4.312 4.350 -0.000 0.000 0.267 75 T C 2.502 177.203 174.700 0.003 0.000 1.039 75 T CA 1.458 63.599 62.100 0.070 0.000 1.142 75 T CB -0.596 68.320 68.868 0.079 0.000 0.866 75 T HN 0.347 nan 8.240 nan 0.000 0.444 76 G N 2.231 111.026 108.800 -0.008 0.000 2.446 76 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 76 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 76 G C 1.593 176.492 174.900 -0.002 0.000 1.168 76 G CA 0.699 45.786 45.100 -0.022 0.000 0.771 76 G HN 0.390 nan 8.290 nan 0.000 0.551 77 N N 1.121 119.832 118.700 0.019 0.000 2.430 77 N HA -0.049 4.691 4.740 -0.000 0.000 0.186 77 N C 1.867 177.395 175.510 0.030 0.000 1.032 77 N CA 1.075 54.142 53.050 0.029 0.000 0.893 77 N CB -0.168 38.343 38.487 0.040 0.000 0.957 77 N HN 0.370 nan 8.380 nan 0.000 0.442 78 A N -0.686 122.149 122.820 0.026 0.000 2.390 78 A HA 0.214 4.534 4.320 -0.000 0.000 0.232 78 A C 1.771 179.362 177.584 0.013 0.000 1.233 78 A CA -0.151 51.903 52.037 0.027 0.000 0.907 78 A CB 0.102 19.125 19.000 0.039 0.000 0.967 78 A HN -0.008 nan 8.150 nan 0.000 0.512 79 M N -0.333 119.262 119.600 -0.008 0.000 2.229 79 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 79 M C 2.174 178.461 176.300 -0.023 0.000 1.063 79 M CA 1.437 56.717 55.300 -0.033 0.000 1.114 79 M CB -1.524 31.041 32.600 -0.059 0.000 1.387 79 M HN 0.477 nan 8.290 nan 0.000 0.420 80 G N -0.037 108.758 108.800 -0.008 0.000 2.418 80 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 80 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 80 G C 1.646 176.544 174.900 -0.003 0.000 1.158 80 G CA 1.130 46.224 45.100 -0.010 0.000 0.771 80 G HN 0.532 nan 8.290 nan 0.000 0.545 81 A N 0.486 123.318 122.820 0.020 0.000 1.933 81 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 81 A C 2.397 180.008 177.584 0.044 0.000 1.175 81 A CA 1.097 53.160 52.037 0.044 0.000 0.628 81 A CB -0.340 18.692 19.000 0.053 0.000 0.814 81 A HN 0.358 nan 8.150 nan 0.000 0.444 82 L N 0.487 121.732 121.223 0.035 0.000 2.141 82 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 82 L C 2.999 179.916 176.870 0.079 0.000 1.094 82 L CA 1.385 56.260 54.840 0.058 0.000 0.763 82 L CB -0.465 41.614 42.059 0.034 0.000 0.908 82 L HN 0.638 nan 8.230 nan 0.000 0.437 83 S N -0.373 115.345 115.700 0.030 0.000 2.368 83 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 83 S C 1.801 176.434 174.600 0.055 0.000 1.030 83 S CA 1.175 59.398 58.200 0.038 0.000 0.999 83 S CB -0.450 62.736 63.200 -0.024 0.000 0.844 83 S HN 0.409 nan 8.310 nan 0.000 0.459 84 N N 2.778 121.465 118.700 -0.022 0.000 2.069 84 N HA -0.009 4.731 4.740 -0.000 0.000 0.191 84 N C 2.050 177.519 175.510 -0.070 0.000 1.031 84 N CA 1.705 54.685 53.050 -0.118 0.000 0.852 84 N CB -1.021 37.335 38.487 -0.219 0.000 1.018 84 N HN 0.631 nan 8.380 nan 0.000 0.423 85 A N 1.179 124.011 122.820 0.020 0.000 1.933 85 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 85 A C 2.095 179.729 177.584 0.082 0.000 1.175 85 A CA 0.988 53.056 52.037 0.053 0.000 0.628 85 A CB -1.024 18.032 19.000 0.092 0.000 0.814 85 A HN 0.591 nan 8.150 nan 0.000 0.444 86 W N 1.164 122.442 121.300 -0.036 0.000 2.333 86 W HA -0.235 4.425 4.660 -0.000 0.000 0.316 86 W C 1.539 177.999 176.519 -0.098 0.000 1.215 86 W CA 2.169 59.498 57.345 -0.026 0.000 1.278 86 W CB -0.490 28.955 29.460 -0.024 0.000 1.154 86 W HN 0.407 nan 8.180 nan 0.000 0.486 87 N N 0.349 119.019 118.700 -0.050 0.000 2.289 87 N HA -0.162 4.578 4.740 -0.000 0.000 0.184 87 N C 1.838 177.114 175.510 -0.391 0.000 1.016 87 N CA 2.185 55.098 53.050 -0.228 0.000 0.872 87 N CB -0.586 37.856 38.487 -0.075 0.000 0.973 87 N HN 0.156 nan 8.380 nan 0.000 0.433 88 S N -1.317 114.220 115.700 -0.271 0.000 2.593 88 S HA 0.040 4.510 4.470 -0.000 0.000 0.217 88 S C -0.115 174.390 174.600 -0.157 0.000 0.966 88 S CA -0.159 57.920 58.200 -0.200 0.000 0.914 88 S CB -0.573 62.575 63.200 -0.087 0.000 0.776 88 S HN 0.447 nan 8.310 nan 0.000 0.523 89 H N 0.583 119.572 119.070 -0.136 0.000 2.770 89 H HA -0.122 4.434 4.556 -0.000 0.000 0.309 89 H C -0.697 174.597 175.328 -0.057 0.000 1.206 89 H CA 0.344 56.305 56.048 -0.145 0.000 1.147 89 H CB -2.190 27.493 29.762 -0.132 0.000 1.422 89 H HN 0.330 nan 8.280 nan 0.000 0.420 90 S N 2.439 118.176 115.700 0.062 0.000 2.474 90 S HA 0.149 4.619 4.470 -0.000 0.000 0.276 90 S C -1.875 172.772 174.600 0.078 0.000 1.227 90 S CA -1.079 57.162 58.200 0.068 0.000 1.050 90 S CB 0.958 64.193 63.200 0.059 0.000 0.939 90 S HN 0.195 nan 8.310 nan 0.000 0.490 91 P HA 0.185 nan 4.420 nan 0.000 0.263 91 P C -1.017 176.343 177.300 0.099 0.000 1.601 91 P CA 0.005 63.155 63.100 0.083 0.000 1.161 91 P CB -0.191 31.551 31.700 0.070 0.000 1.730 92 L N 4.392 125.678 121.223 0.106 0.000 2.307 92 L HA 0.505 4.845 4.340 -0.000 0.000 0.284 92 L C 0.676 177.612 176.870 0.110 0.000 1.023 92 L CA -0.990 53.910 54.840 0.101 0.000 0.810 92 L CB 1.779 43.886 42.059 0.080 0.000 1.231 92 L HN 0.152 nan 8.230 nan 0.000 0.423 93 I N 3.967 124.591 120.570 0.090 0.000 2.337 93 I HA 0.226 4.396 4.170 -0.000 0.000 0.285 93 I C -0.398 175.645 176.117 -0.124 0.000 1.041 93 I CA -0.461 60.873 61.300 0.057 0.000 1.199 93 I CB 1.358 39.455 38.000 0.162 0.000 1.370 93 I HN 0.229 nan 8.210 nan 0.000 0.470 94 V N 5.226 125.111 119.914 -0.048 0.000 2.383 94 V HA 0.394 4.514 4.120 -0.000 0.000 0.275 94 V C 0.472 176.438 176.094 -0.214 0.000 1.036 94 V CA -0.382 61.863 62.300 -0.091 0.000 0.889 94 V CB 1.456 33.353 31.823 0.122 0.000 0.985 94 V HN 0.795 nan 8.190 nan 0.000 0.459 95 T N 2.153 116.498 114.554 -0.348 0.000 2.856 95 T HA 0.885 5.235 4.350 -0.000 0.000 0.283 95 T C -0.487 174.068 174.700 -0.242 0.000 1.008 95 T CA -0.583 61.306 62.100 -0.351 0.000 0.997 95 T CB 2.034 70.701 68.868 -0.336 0.000 0.992 95 T HN 1.021 nan 8.240 nan 0.000 0.454 96 A N 1.672 124.336 122.820 -0.259 0.000 2.422 96 A HA 0.865 5.185 4.320 -0.000 0.000 0.302 96 A C 0.279 177.853 177.584 -0.017 0.000 1.041 96 A CA -0.695 51.295 52.037 -0.079 0.000 0.708 96 A CB 1.330 20.331 19.000 0.001 0.000 1.257 96 A HN 1.351 nan 8.150 nan 0.000 0.414 97 G N 0.435 109.287 108.800 0.087 0.000 2.403 97 G HA2 0.485 4.445 3.960 -0.000 0.000 0.259 97 G HA3 0.485 4.445 3.960 -0.000 0.000 0.259 97 G C -0.232 174.727 174.900 0.098 0.000 1.244 97 G CA -0.038 45.162 45.100 0.167 0.000 0.849 97 G HN 0.883 nan 8.290 nan 0.000 0.532 98 Q N 0.671 120.538 119.800 0.113 0.000 2.351 98 Q HA 0.349 4.689 4.340 -0.000 0.000 0.273 98 Q C 0.218 176.284 176.000 0.111 0.000 1.077 98 Q CA -0.720 55.115 55.803 0.053 0.000 0.843 98 Q CB 1.183 29.914 28.738 -0.011 0.000 1.367 98 Q HN 0.486 nan 8.270 nan 0.000 0.449 99 Q N 0.503 120.341 119.800 0.064 0.000 2.540 99 Q HA 0.036 4.376 4.340 -0.000 0.000 0.256 99 Q C -0.449 175.432 176.000 -0.197 0.000 1.084 99 Q CA 0.441 56.277 55.803 0.055 0.000 0.956 99 Q CB 0.510 29.266 28.738 0.030 0.000 1.303 99 Q HN 0.847 nan 8.270 nan 0.000 0.509 100 T N 0.930 115.177 114.554 -0.512 0.000 2.946 100 T HA -0.020 4.330 4.350 -0.000 0.000 0.311 100 T C 1.395 175.935 174.700 -0.268 0.000 1.063 100 T CA 0.172 61.902 62.100 -0.617 0.000 1.139 100 T CB 0.330 68.793 68.868 -0.676 0.000 0.994 100 T HN 0.473 nan 8.240 nan 0.000 0.547 101 R N 3.166 123.534 120.500 -0.220 0.000 2.139 101 R HA -0.145 4.195 4.340 -0.000 0.000 0.243 101 R C 2.588 178.827 176.300 -0.102 0.000 1.145 101 R CA 1.469 57.486 56.100 -0.138 0.000 0.976 101 R CB -0.545 29.683 30.300 -0.122 0.000 0.866 101 R HN 0.761 nan 8.270 nan 0.000 0.449 102 A N 0.359 123.119 122.820 -0.101 0.000 2.070 102 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 102 A C 1.832 179.386 177.584 -0.049 0.000 1.159 102 A CA 1.267 53.266 52.037 -0.064 0.000 0.656 102 A CB -0.113 18.856 19.000 -0.052 0.000 0.800 102 A HN 0.218 nan 8.150 nan 0.000 0.453 103 M N -1.421 118.144 119.600 -0.057 0.000 2.347 103 M HA 0.305 4.785 4.480 -0.000 0.000 0.302 103 M C 1.087 177.368 176.300 -0.032 0.000 1.051 103 M CA 0.065 55.346 55.300 -0.031 0.000 0.988 103 M CB 0.248 32.842 32.600 -0.010 0.000 1.475 103 M HN 0.315 nan 8.290 nan 0.000 0.530 104 I N 0.282 120.823 120.570 -0.049 0.000 2.226 104 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 104 I C 2.469 178.565 176.117 -0.035 0.000 1.100 104 I CA 1.519 62.792 61.300 -0.045 0.000 1.374 104 I CB -0.521 37.442 38.000 -0.062 0.000 1.057 104 I HN 0.376 nan 8.210 nan 0.000 0.413 105 G N 1.032 109.811 108.800 -0.035 0.000 2.459 105 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 105 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 105 G C 1.663 176.551 174.900 -0.020 0.000 1.183 105 G CA 1.329 46.412 45.100 -0.028 0.000 0.776 105 G HN 0.389 nan 8.290 nan 0.000 0.552 106 V N -1.707 118.197 119.914 -0.016 0.000 3.078 106 V HA 0.110 4.229 4.120 -0.000 0.000 0.265 106 V C 0.753 176.843 176.094 -0.007 0.000 1.122 106 V CA 1.252 63.546 62.300 -0.009 0.000 1.141 106 V CB -0.993 30.827 31.823 -0.005 0.000 0.735 106 V HN 0.587 nan 8.190 nan 0.000 0.498 107 E N -0.195 119.999 120.200 -0.010 0.000 2.246 107 E HA -0.206 4.144 4.350 -0.000 0.000 0.211 107 E C 0.658 177.259 176.600 0.003 0.000 1.278 107 E CA 0.173 56.569 56.400 -0.007 0.000 0.694 107 E CB -1.682 28.013 29.700 -0.010 0.000 1.166 107 E HN 1.054 nan 8.360 nan 0.000 0.370 108 A N 0.780 123.605 122.820 0.009 0.000 2.475 108 A HA 0.239 4.559 4.320 -0.000 0.000 0.239 108 A C 0.522 178.123 177.584 0.028 0.000 1.087 108 A CA -0.153 51.897 52.037 0.023 0.000 0.779 108 A CB 0.328 19.350 19.000 0.035 0.000 1.036 108 A HN 0.380 nan 8.150 nan 0.000 0.506 109 L N 0.270 121.516 121.223 0.038 0.000 2.525 109 L HA 0.174 4.514 4.340 -0.000 0.000 0.278 109 L C 0.617 177.517 176.870 0.050 0.000 1.218 109 L CA 1.142 56.007 54.840 0.041 0.000 0.878 109 L CB -0.379 41.710 42.059 0.049 0.000 1.127 109 L HN 0.695 nan 8.230 nan 0.000 0.492 110 L N 2.486 123.727 121.223 0.030 0.000 4.351 110 L HA -0.227 4.113 4.340 -0.000 0.000 0.410 110 L C 0.217 177.079 176.870 -0.013 0.000 1.150 110 L CA 0.564 55.402 54.840 -0.003 0.000 0.961 110 L CB -2.373 39.702 42.059 0.027 0.000 2.130 110 L HN 0.790 nan 8.230 nan 0.000 0.787 111 T N -0.001 114.553 114.554 0.001 0.000 2.814 111 T HA 0.148 4.498 4.350 -0.000 0.000 0.297 111 T C 0.694 175.382 174.700 -0.021 0.000 0.956 111 T CA -0.117 61.978 62.100 -0.008 0.000 1.123 111 T CB 0.852 69.715 68.868 -0.008 0.000 0.902 111 T HN 0.182 nan 8.240 nan 0.000 0.528 112 N N 3.985 122.671 118.700 -0.022 0.000 2.719 112 N HA 0.129 4.869 4.740 -0.000 0.000 0.243 112 N C -0.486 175.011 175.510 -0.021 0.000 1.104 112 N CA -0.341 52.698 53.050 -0.017 0.000 0.981 112 N CB 0.029 38.521 38.487 0.007 0.000 1.290 112 N HN 0.293 nan 8.380 nan 0.000 0.513 113 V N 2.946 122.844 119.914 -0.027 0.000 2.585 113 V HA -0.002 4.118 4.120 -0.000 0.000 0.296 113 V C 0.870 176.941 176.094 -0.039 0.000 1.035 113 V CA -0.111 62.169 62.300 -0.033 0.000 1.084 113 V CB 0.495 32.300 31.823 -0.030 0.000 0.953 113 V HN 0.727 nan 8.190 nan 0.000 0.483 114 D N 3.523 123.895 120.400 -0.045 0.000 2.689 114 D HA -0.250 4.390 4.640 -0.000 0.000 0.237 114 D C 1.250 177.517 176.300 -0.055 0.000 1.148 114 D CA 0.948 54.916 54.000 -0.053 0.000 0.656 114 D CB -0.641 40.128 40.800 -0.052 0.000 1.050 114 D HN 0.815 nan 8.370 nan 0.000 0.426 115 A N 0.548 123.346 122.820 -0.037 0.000 1.908 115 A HA 0.048 4.368 4.320 -0.000 0.000 0.218 115 A C 2.545 180.132 177.584 0.006 0.000 1.181 115 A CA 2.635 54.679 52.037 0.012 0.000 0.627 115 A CB -0.759 18.284 19.000 0.071 0.000 0.818 115 A HN 0.876 nan 8.150 nan 0.000 0.445 116 A N -0.174 122.634 122.820 -0.021 0.000 2.019 116 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 116 A C 1.826 179.344 177.584 -0.111 0.000 1.164 116 A CA 1.728 53.742 52.037 -0.039 0.000 0.644 116 A CB -0.533 18.412 19.000 -0.092 0.000 0.805 116 A HN 0.540 nan 8.150 nan 0.000 0.449 117 N N -0.530 118.103 118.700 -0.111 0.000 2.457 117 N HA -0.042 4.698 4.740 -0.000 0.000 0.180 117 N C 1.446 176.858 175.510 -0.163 0.000 1.050 117 N CA 0.700 53.676 53.050 -0.123 0.000 0.906 117 N CB -0.306 38.126 38.487 -0.092 0.000 0.968 117 N HN 0.425 nan 8.380 nan 0.000 0.445 118 L N 2.630 123.734 121.223 -0.199 0.000 1.970 118 L HA -0.036 4.304 4.340 -0.000 0.000 0.212 118 L C -0.930 175.766 176.870 -0.290 0.000 1.071 118 L CA 2.073 56.776 54.840 -0.229 0.000 0.751 118 L CB -1.439 40.481 42.059 -0.232 0.000 0.889 118 L HN 0.095 nan 8.230 nan 0.000 0.432 119 P HA -0.109 nan 4.420 nan 0.000 0.233 119 P C 0.046 177.187 177.300 -0.266 0.000 1.167 119 P CA 0.571 63.441 63.100 -0.384 0.000 0.770 119 P CB -0.097 31.259 31.700 -0.573 0.000 0.837 120 R N 1.756 122.114 120.500 -0.237 0.000 2.590 120 R HA 0.137 4.477 4.340 -0.000 0.000 0.274 120 R C -1.370 174.800 176.300 -0.217 0.000 1.061 120 R CA -0.963 55.009 56.100 -0.212 0.000 1.081 120 R CB -0.087 30.116 30.300 -0.163 0.000 0.984 120 R HN 0.105 nan 8.270 nan 0.000 0.448 121 P HA 0.094 nan 4.420 nan 0.000 0.254 121 P C 0.047 176.963 177.300 -0.640 0.000 1.494 121 P CA 0.334 63.217 63.100 -0.361 0.000 0.961 121 P CB 0.306 31.816 31.700 -0.317 0.000 1.493 122 L N -0.343 120.573 121.223 -0.510 0.000 2.628 122 L HA 0.161 4.501 4.340 -0.000 0.000 0.229 122 L C 0.829 177.551 176.870 -0.247 0.000 1.137 122 L CA -0.220 54.282 54.840 -0.563 0.000 0.909 122 L CB 0.183 42.087 42.059 -0.258 0.000 1.137 122 L HN -0.112 nan 8.230 nan 0.000 0.470 123 V N -4.955 114.850 119.914 -0.181 0.000 2.769 123 V HA 0.378 4.498 4.120 -0.000 0.000 0.312 123 V C 0.736 177.021 176.094 0.319 0.000 1.061 123 V CA -1.001 61.403 62.300 0.173 0.000 0.931 123 V CB 2.115 34.015 31.823 0.130 0.000 1.010 123 V HN 0.045 nan 8.190 nan 0.000 0.433 124 K N 1.202 121.927 120.400 0.543 0.000 2.155 124 K HA 0.082 4.402 4.320 -0.000 0.000 0.203 124 K C -0.214 176.642 176.600 0.427 0.000 1.052 124 K CA 1.639 58.227 56.287 0.502 0.000 0.948 124 K CB 0.165 32.885 32.500 0.366 0.000 0.728 124 K HN 0.766 nan 8.250 nan 0.000 0.448 125 W N -0.227 121.173 121.300 0.167 0.000 3.425 125 W HA 0.324 4.984 4.660 -0.000 0.000 0.318 125 W C -1.651 174.967 176.519 0.166 0.000 1.201 125 W CA -0.562 56.861 57.345 0.130 0.000 1.212 125 W CB 1.924 31.439 29.460 0.092 0.000 1.355 125 W HN -0.365 nan 8.180 nan 0.000 0.515 126 S N 4.674 120.129 115.700 -0.409 0.000 2.575 126 S HA 0.751 5.221 4.470 -0.000 0.000 0.278 126 S C -2.271 172.012 174.600 -0.529 0.000 1.139 126 S CA -0.356 57.670 58.200 -0.289 0.000 0.954 126 S CB 0.894 64.046 63.200 -0.080 0.000 1.054 126 S HN 0.495 nan 8.310 nan 0.000 0.483 127 Y N 2.060 121.998 120.300 -0.603 0.000 2.521 127 Y HA 0.442 4.992 4.550 -0.000 0.000 0.328 127 Y C -1.384 174.340 175.900 -0.294 0.000 1.151 127 Y CA -0.602 57.140 58.100 -0.596 0.000 1.054 127 Y CB 1.449 39.221 38.460 -1.147 0.000 1.338 127 Y HN 0.697 nan 8.280 nan 0.000 0.453 128 E N 7.267 127.005 120.200 -0.770 0.000 2.185 128 E HA 0.509 4.859 4.350 -0.000 0.000 0.261 128 E C -2.808 173.262 176.600 -0.883 0.000 0.879 128 E CA -2.499 53.550 56.400 -0.586 0.000 0.756 128 E CB 1.626 31.122 29.700 -0.340 0.000 1.152 128 E HN 0.292 nan 8.360 nan 0.000 0.416 129 P HA 0.070 nan 4.420 nan 0.000 0.271 129 P C -0.125 177.061 177.300 -0.191 0.000 1.218 129 P CA 0.015 62.966 63.100 -0.247 0.000 0.780 129 P CB 1.168 32.891 31.700 0.037 0.000 0.901 130 A N 1.808 124.581 122.820 -0.077 0.000 2.066 130 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 130 A C 0.785 178.340 177.584 -0.049 0.000 1.157 130 A CA 1.423 53.425 52.037 -0.059 0.000 0.670 130 A CB -0.617 18.384 19.000 0.001 0.000 0.804 130 A HN 0.659 nan 8.150 nan 0.000 0.453 131 S N -4.215 111.463 115.700 -0.036 0.000 2.570 131 S HA 0.644 5.114 4.470 -0.000 0.000 0.270 131 S C 0.691 175.256 174.600 -0.058 0.000 1.149 131 S CA -0.094 58.080 58.200 -0.044 0.000 0.837 131 S CB 1.199 64.387 63.200 -0.019 0.000 1.124 131 S HN 0.956 nan 8.310 nan 0.000 0.465 132 A N 1.612 124.386 122.820 -0.077 0.000 1.892 132 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 132 A C 2.345 179.896 177.584 -0.054 0.000 1.188 132 A CA 2.345 54.321 52.037 -0.102 0.000 0.631 132 A CB -1.689 17.262 19.000 -0.082 0.000 0.822 132 A HN 1.730 nan 8.150 nan 0.000 0.447 133 A N -0.654 122.158 122.820 -0.013 0.000 2.024 133 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 133 A C 1.980 179.586 177.584 0.037 0.000 1.164 133 A CA 1.864 53.911 52.037 0.017 0.000 0.643 133 A CB -0.493 18.518 19.000 0.017 0.000 0.806 133 A HN 0.709 nan 8.150 nan 0.000 0.451 134 E N -0.277 119.948 120.200 0.042 0.000 2.427 134 E HA -0.022 4.328 4.350 -0.000 0.000 0.196 134 E C 1.590 178.273 176.600 0.138 0.000 1.028 134 E CA 0.620 57.083 56.400 0.105 0.000 0.864 134 E CB -0.057 29.723 29.700 0.133 0.000 0.813 134 E HN 0.354 nan 8.360 nan 0.000 0.514 135 V N 1.782 121.723 119.914 0.044 0.000 2.287 135 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 135 V C -0.802 175.345 176.094 0.089 0.000 1.053 135 V CA 2.148 64.448 62.300 0.000 0.000 1.027 135 V CB -1.261 30.420 31.823 -0.238 0.000 0.646 135 V HN 0.320 nan 8.190 nan 0.000 0.447 136 P HA -0.179 nan 4.420 nan 0.000 0.216 136 P C 1.699 179.098 177.300 0.166 0.000 1.153 136 P CA 1.538 64.740 63.100 0.169 0.000 0.848 136 P CB -0.224 31.589 31.700 0.188 0.000 0.787 137 H N 0.030 119.149 119.070 0.081 0.000 2.353 137 H HA -0.073 4.483 4.556 -0.000 0.000 0.300 137 H C 1.747 177.121 175.328 0.077 0.000 1.090 137 H CA 1.744 57.828 56.048 0.061 0.000 1.327 137 H CB -0.262 29.526 29.762 0.043 0.000 1.383 137 H HN -0.031 nan 8.280 nan 0.000 0.508 138 A N 1.019 123.932 122.820 0.155 0.000 1.902 138 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 138 A C 2.488 180.173 177.584 0.169 0.000 1.181 138 A CA 1.833 54.005 52.037 0.226 0.000 0.623 138 A CB -0.689 18.575 19.000 0.440 0.000 0.818 138 A HN 0.492 nan 8.150 nan 0.000 0.443 139 M N -0.251 119.436 119.600 0.144 0.000 2.175 139 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 139 M C 2.261 178.576 176.300 0.026 0.000 1.063 139 M CA 2.012 57.395 55.300 0.139 0.000 1.119 139 M CB -0.505 32.200 32.600 0.174 0.000 1.377 139 M HN 0.391 nan 8.290 nan 0.000 0.415 140 S N -0.104 115.577 115.700 -0.031 0.000 2.359 140 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 140 S C 2.070 176.556 174.600 -0.190 0.000 1.035 140 S CA 1.733 59.877 58.200 -0.093 0.000 1.018 140 S CB -0.198 62.978 63.200 -0.041 0.000 0.876 140 S HN 0.616 nan 8.310 nan 0.000 0.448 141 R N 0.699 120.993 120.500 -0.345 0.000 2.083 141 R HA -0.060 4.280 4.340 -0.000 0.000 0.237 141 R C 2.709 178.642 176.300 -0.613 0.000 1.137 141 R CA 1.398 57.143 56.100 -0.591 0.000 0.951 141 R CB -0.772 28.939 30.300 -0.982 0.000 0.851 141 R HN 0.512 nan 8.270 nan 0.000 0.434 142 A N 1.372 123.967 122.820 -0.375 0.000 1.873 142 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 142 A C 2.197 179.750 177.584 -0.052 0.000 1.193 142 A CA 1.679 53.701 52.037 -0.026 0.000 0.629 142 A CB -0.714 18.430 19.000 0.241 0.000 0.826 142 A HN 0.235 nan 8.150 nan 0.000 0.447 143 I N -1.246 119.262 120.570 -0.104 0.000 2.163 143 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 143 I C 2.522 178.502 176.117 -0.228 0.000 1.085 143 I CA 1.588 62.793 61.300 -0.159 0.000 1.347 143 I CB -0.496 37.334 38.000 -0.283 0.000 1.044 143 I HN 0.428 nan 8.210 nan 0.000 0.408 144 H N -0.319 118.689 119.070 -0.103 0.000 2.395 144 H HA -0.019 4.537 4.556 -0.000 0.000 0.299 144 H C 2.348 177.593 175.328 -0.139 0.000 1.070 144 H CA 1.104 57.075 56.048 -0.129 0.000 1.356 144 H CB -0.157 29.504 29.762 -0.168 0.000 1.401 144 H HN 0.248 nan 8.280 nan 0.000 0.524 145 M N 0.473 120.014 119.600 -0.097 0.000 2.117 145 M HA -0.068 4.412 4.480 -0.000 0.000 0.262 145 M C 2.564 178.864 176.300 -0.000 0.000 1.065 145 M CA 1.084 56.324 55.300 -0.101 0.000 1.114 145 M CB -0.991 31.474 32.600 -0.224 0.000 1.361 145 M HN 0.213 nan 8.290 nan 0.000 0.408 146 A N -0.629 122.207 122.820 0.026 0.000 1.933 146 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 146 A C 2.396 180.002 177.584 0.037 0.000 1.175 146 A CA 2.029 54.105 52.037 0.064 0.000 0.628 146 A CB -0.569 18.484 19.000 0.088 0.000 0.814 146 A HN 0.510 nan 8.150 nan 0.000 0.444 147 S N -0.897 114.814 115.700 0.019 0.000 2.486 147 S HA 0.242 4.712 4.470 -0.000 0.000 0.220 147 S C 0.810 175.407 174.600 -0.005 0.000 1.011 147 S CA -0.032 58.178 58.200 0.017 0.000 0.921 147 S CB -0.146 63.069 63.200 0.024 0.000 0.785 147 S HN 0.525 nan 8.310 nan 0.000 0.517 148 M N 1.890 121.480 119.600 -0.017 0.000 2.243 148 M HA 0.317 4.797 4.480 -0.000 0.000 0.341 148 M C 0.315 176.575 176.300 -0.065 0.000 1.130 148 M CA -0.403 54.870 55.300 -0.045 0.000 1.162 148 M CB 0.527 33.095 32.600 -0.054 0.000 1.497 148 M HN 0.158 nan 8.290 nan 0.000 0.456 149 A N 4.778 127.550 122.820 -0.081 0.000 2.462 149 A HA 0.420 4.740 4.320 -0.000 0.000 0.243 149 A C -2.261 175.241 177.584 -0.136 0.000 1.076 149 A CA -1.136 50.827 52.037 -0.123 0.000 0.773 149 A CB -0.685 18.249 19.000 -0.110 0.000 1.010 149 A HN 0.504 nan 8.150 nan 0.000 0.493 150 P HA 0.152 nan 4.420 nan 0.000 0.282 150 P C -0.605 176.522 177.300 -0.288 0.000 1.262 150 P CA -0.090 62.779 63.100 -0.385 0.000 0.773 150 P CB 0.637 32.006 31.700 -0.552 0.000 0.879 151 Q N 1.190 120.858 119.800 -0.219 0.000 2.454 151 Q HA 0.536 4.876 4.340 -0.000 0.000 0.247 151 Q C 0.686 176.671 176.000 -0.024 0.000 1.028 151 Q CA 0.206 55.968 55.803 -0.068 0.000 0.910 151 Q CB 0.521 29.254 28.738 -0.008 0.000 1.276 151 Q HN 0.730 nan 8.270 nan 0.000 0.489 152 G N 0.833 109.651 108.800 0.030 0.000 2.356 152 G HA2 0.311 4.271 3.960 -0.000 0.000 0.294 152 G HA3 0.311 4.271 3.960 -0.000 0.000 0.294 152 G C -3.098 171.892 174.900 0.150 0.000 1.423 152 G CA -0.918 44.221 45.100 0.065 0.000 0.806 152 G HN 0.362 nan 8.290 nan 0.000 0.527 153 P HA 0.456 nan 4.420 nan 0.000 0.275 153 P C 0.037 177.503 177.300 0.277 0.000 1.228 153 P CA -0.172 63.063 63.100 0.225 0.000 0.786 153 P CB 1.578 33.412 31.700 0.223 0.000 0.927 154 V N 0.571 120.642 119.914 0.262 0.000 3.074 154 V HA 0.674 4.794 4.120 -0.000 0.000 0.314 154 V C -1.559 174.731 176.094 0.327 0.000 1.117 154 V CA -1.097 61.406 62.300 0.339 0.000 1.014 154 V CB 2.228 34.288 31.823 0.396 0.000 1.057 154 V HN 0.492 nan 8.190 nan 0.000 0.438 155 Y N 2.193 122.587 120.300 0.157 0.000 2.386 155 Y HA 0.810 5.360 4.550 -0.000 0.000 0.334 155 Y C -1.404 174.508 175.900 0.021 0.000 1.002 155 Y CA -1.046 57.084 58.100 0.050 0.000 1.068 155 Y CB 2.030 40.482 38.460 -0.014 0.000 1.203 155 Y HN 0.897 nan 8.280 nan 0.000 0.443 156 L N 5.429 126.388 121.223 -0.440 0.000 2.376 156 L HA 0.602 4.942 4.340 -0.000 0.000 0.275 156 L C -0.940 175.588 176.870 -0.571 0.000 0.987 156 L CA -0.200 54.449 54.840 -0.319 0.000 0.828 156 L CB 1.853 43.907 42.059 -0.008 0.000 1.249 156 L HN 0.582 nan 8.230 nan 0.000 0.409 157 S N 4.132 119.564 115.700 -0.448 0.000 2.480 157 S HA 0.807 5.277 4.470 -0.000 0.000 0.286 157 S C -0.983 173.509 174.600 -0.180 0.000 1.180 157 S CA -0.450 57.567 58.200 -0.305 0.000 1.075 157 S CB 0.899 64.010 63.200 -0.148 0.000 0.996 157 S HN 0.439 nan 8.310 nan 0.000 0.487 158 V N 7.638 127.487 119.914 -0.108 0.000 2.447 158 V HA 0.404 4.523 4.120 -0.000 0.000 0.292 158 V C -2.465 173.599 176.094 -0.050 0.000 1.021 158 V CA -1.975 60.254 62.300 -0.118 0.000 0.850 158 V CB 1.569 33.321 31.823 -0.119 0.000 1.005 158 V HN 0.733 nan 8.190 nan 0.000 0.426 159 P HA -0.023 nan 4.420 nan 0.000 0.262 159 P C 0.297 177.574 177.300 -0.039 0.000 1.182 159 P CA 0.154 63.196 63.100 -0.097 0.000 0.761 159 P CB 0.195 31.795 31.700 -0.168 0.000 0.795 160 Y N 3.289 123.650 120.300 0.102 0.000 2.421 160 Y HA -0.157 4.393 4.550 -0.000 0.000 0.292 160 Y C 1.486 177.524 175.900 0.230 0.000 1.136 160 Y CA 1.319 59.580 58.100 0.269 0.000 1.255 160 Y CB -1.314 37.308 38.460 0.270 0.000 0.991 160 Y HN 0.290 nan 8.280 nan 0.000 0.552 161 D N -0.247 120.095 120.400 -0.097 0.000 2.312 161 D HA -0.171 4.469 4.640 -0.000 0.000 0.211 161 D C 0.818 177.121 176.300 0.005 0.000 0.964 161 D CA 1.001 54.995 54.000 -0.011 0.000 0.877 161 D CB -0.429 40.271 40.800 -0.166 0.000 0.924 161 D HN 0.363 nan 8.370 nan 0.000 0.515 162 D N 0.570 120.892 120.400 -0.131 0.000 2.178 162 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 162 D C 1.629 177.840 176.300 -0.149 0.000 0.980 162 D CA 0.791 54.648 54.000 -0.239 0.000 0.842 162 D CB -0.615 39.892 40.800 -0.490 0.000 0.948 162 D HN 0.463 nan 8.370 nan 0.000 0.472 163 W N 1.234 122.640 121.300 0.177 0.000 2.388 163 W HA -0.063 4.597 4.660 -0.000 0.000 0.294 163 W C 1.774 178.419 176.519 0.210 0.000 1.212 163 W CA 0.386 57.875 57.345 0.241 0.000 1.271 163 W CB -0.064 29.603 29.460 0.346 0.000 1.126 163 W HN -0.108 nan 8.180 nan 0.000 0.535 164 D N -0.016 120.587 120.400 0.339 0.000 2.347 164 D HA -0.039 4.601 4.640 -0.000 0.000 0.215 164 D C 0.945 177.335 176.300 0.150 0.000 0.976 164 D CA 0.840 54.969 54.000 0.215 0.000 0.884 164 D CB -0.114 40.786 40.800 0.167 0.000 0.915 164 D HN -0.004 nan 8.370 nan 0.000 0.526 165 K N 1.437 121.910 120.400 0.123 0.000 2.120 165 K HA 0.117 4.437 4.320 -0.000 0.000 0.245 165 K C 0.090 176.746 176.600 0.092 0.000 1.024 165 K CA -0.410 55.924 56.287 0.078 0.000 0.906 165 K CB 0.525 33.044 32.500 0.032 0.000 1.051 165 K HN -0.091 nan 8.250 nan 0.000 0.491 166 D N 0.677 121.120 120.400 0.072 0.000 2.389 166 D HA 0.148 4.788 4.640 -0.000 0.000 0.247 166 D C 0.102 176.448 176.300 0.077 0.000 1.128 166 D CA 0.109 54.156 54.000 0.079 0.000 0.884 166 D CB 0.758 41.595 40.800 0.062 0.000 1.194 166 D HN 0.454 nan 8.370 nan 0.000 0.441 167 A N 1.997 124.879 122.820 0.103 0.000 2.366 167 A HA 0.100 4.420 4.320 -0.000 0.000 0.249 167 A C 0.372 178.002 177.584 0.078 0.000 1.084 167 A CA -0.469 51.629 52.037 0.101 0.000 0.794 167 A CB 0.282 19.369 19.000 0.145 0.000 1.034 167 A HN 0.521 nan 8.150 nan 0.000 0.491 168 D N 1.144 121.582 120.400 0.064 0.000 2.531 168 D HA 0.095 4.735 4.640 -0.000 0.000 0.239 168 D C -1.509 174.825 176.300 0.056 0.000 1.144 168 D CA -1.166 52.860 54.000 0.045 0.000 0.869 168 D CB 0.683 41.498 40.800 0.025 0.000 1.160 168 D HN 0.109 nan 8.370 nan 0.000 0.484 169 P HA -0.178 nan 4.420 nan 0.000 0.217 169 P C 0.859 178.221 177.300 0.104 0.000 1.151 169 P CA 1.210 64.360 63.100 0.083 0.000 0.849 169 P CB 0.169 31.911 31.700 0.069 0.000 0.787 170 Q N -1.167 118.662 119.800 0.048 0.000 2.415 170 Q HA 0.100 4.440 4.340 -0.000 0.000 0.206 170 Q C 1.769 177.664 176.000 -0.176 0.000 0.946 170 Q CA 0.443 56.233 55.803 -0.023 0.000 0.951 170 Q CB -0.504 28.260 28.738 0.044 0.000 1.026 170 Q HN 0.261 nan 8.270 nan 0.000 0.510 171 S N 0.665 116.301 115.700 -0.107 0.000 2.440 171 S HA -0.143 4.327 4.470 -0.000 0.000 0.238 171 S C 1.618 175.910 174.600 -0.513 0.000 1.010 171 S CA 1.027 59.128 58.200 -0.164 0.000 0.972 171 S CB -0.299 62.891 63.200 -0.017 0.000 0.774 171 S HN 0.630 nan 8.310 nan 0.000 0.501 172 H N 0.100 118.820 119.070 -0.583 0.000 2.489 172 H HA -0.031 4.525 4.556 -0.000 0.000 0.293 172 H C 1.396 176.290 175.328 -0.723 0.000 1.066 172 H CA 1.311 56.740 56.048 -1.031 0.000 1.305 172 H CB -0.708 28.774 29.762 -0.468 0.000 1.386 172 H HN 0.495 nan 8.280 nan 0.000 0.551 173 H N 1.027 119.637 119.070 -0.767 0.000 2.489 173 H HA -0.011 4.545 4.556 -0.000 0.000 0.293 173 H C 2.401 177.600 175.328 -0.215 0.000 1.066 173 H CA 1.033 56.843 56.048 -0.397 0.000 1.305 173 H CB 0.268 29.821 29.762 -0.348 0.000 1.386 173 H HN 0.408 nan 8.280 nan 0.000 0.551 174 L N -0.614 120.508 121.223 -0.169 0.000 2.179 174 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 174 L C 2.172 179.132 176.870 0.151 0.000 1.096 174 L CA 0.282 55.123 54.840 0.002 0.000 0.779 174 L CB -0.425 41.650 42.059 0.026 0.000 0.922 174 L HN 0.049 nan 8.230 nan 0.000 0.443 175 F N 0.667 120.688 119.950 0.119 0.000 2.095 175 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 175 F C 1.763 177.634 175.800 0.118 0.000 1.104 175 F CA 1.043 59.111 58.000 0.113 0.000 1.232 175 F CB -0.688 38.376 39.000 0.106 0.000 0.987 175 F HN 0.141 nan 8.300 nan 0.000 0.475 176 D N -0.399 120.182 120.400 0.302 0.000 2.463 176 D HA 0.067 4.707 4.640 -0.000 0.000 0.224 176 D C 0.316 176.734 176.300 0.197 0.000 1.174 176 D CA -0.051 54.082 54.000 0.223 0.000 0.829 176 D CB -0.062 40.848 40.800 0.184 0.000 0.993 176 D HN 0.095 nan 8.370 nan 0.000 0.497 177 R N 1.183 121.805 120.500 0.203 0.000 2.484 177 R HA 0.066 4.406 4.340 -0.000 0.000 0.293 177 R C 0.289 176.697 176.300 0.179 0.000 1.023 177 R CA 0.292 56.477 56.100 0.141 0.000 1.037 177 R CB 0.570 30.929 30.300 0.099 0.000 0.951 177 R HN 0.210 nan 8.270 nan 0.000 0.418 178 H N 3.067 122.144 119.070 0.012 0.000 2.505 178 H HA 0.336 4.892 4.556 -0.000 0.000 0.338 178 H C -1.324 173.953 175.328 -0.085 0.000 1.057 178 H CA -0.661 55.396 56.048 0.015 0.000 1.202 178 H CB 1.268 31.049 29.762 0.031 0.000 1.466 178 H HN 0.214 nan 8.280 nan 0.000 0.499 179 V N 3.860 123.398 119.914 -0.626 0.000 2.604 179 V HA 0.271 4.391 4.120 -0.000 0.000 0.305 179 V C 0.035 175.823 176.094 -0.509 0.000 1.043 179 V CA -0.721 61.298 62.300 -0.469 0.000 0.888 179 V CB 1.676 33.237 31.823 -0.437 0.000 0.995 179 V HN 0.767 nan 8.190 nan 0.000 0.429 180 S N 2.026 117.574 115.700 -0.254 0.000 2.502 180 S HA 0.555 5.025 4.470 -0.000 0.000 0.304 180 S C 0.331 174.885 174.600 -0.076 0.000 1.097 180 S CA -0.008 58.118 58.200 -0.124 0.000 1.045 180 S CB 1.665 64.886 63.200 0.036 0.000 1.019 180 S HN 0.991 nan 8.310 nan 0.000 0.481 181 S N 2.375 118.040 115.700 -0.058 0.000 2.741 181 S HA 0.216 4.686 4.470 -0.000 0.000 0.247 181 S C 0.207 174.789 174.600 -0.029 0.000 1.050 181 S CA -0.439 57.733 58.200 -0.047 0.000 1.025 181 S CB 0.356 63.521 63.200 -0.059 0.000 0.897 181 S HN 0.498 nan 8.310 nan 0.000 0.508 182 S N 2.637 118.331 115.700 -0.010 0.000 4.087 182 S HA 0.452 4.922 4.470 -0.000 0.000 0.213 182 S C 0.187 174.787 174.600 -0.000 0.000 1.415 182 S CA -0.412 57.789 58.200 0.002 0.000 0.893 182 S CB -1.112 62.101 63.200 0.022 0.000 1.529 182 S HN 0.635 nan 8.310 nan 0.000 0.457 183 V N 2.586 122.494 119.914 -0.010 0.000 2.919 183 V HA 0.982 5.102 4.120 -0.000 0.000 0.316 183 V C -0.663 175.425 176.094 -0.010 0.000 1.077 183 V CA -1.358 60.936 62.300 -0.010 0.000 0.977 183 V CB 1.843 33.656 31.823 -0.017 0.000 1.039 183 V HN 0.706 nan 8.190 nan 0.000 0.441 184 R N 1.970 122.465 120.500 -0.007 0.000 2.799 184 R HA 0.762 5.102 4.340 -0.000 0.000 0.270 184 R C -1.034 175.262 176.300 -0.007 0.000 1.010 184 R CA -1.043 55.053 56.100 -0.006 0.000 0.916 184 R CB 0.620 30.919 30.300 -0.002 0.000 1.228 184 R HN 0.807 nan 8.270 nan 0.000 0.469 185 L N 2.117 123.336 121.223 -0.007 0.000 2.525 185 L HA 0.170 4.510 4.340 -0.000 0.000 0.278 185 L C -0.394 176.473 176.870 -0.004 0.000 1.218 185 L CA 0.443 55.279 54.840 -0.007 0.000 0.878 185 L CB -0.094 41.961 42.059 -0.006 0.000 1.127 185 L HN 0.900 nan 8.230 nan 0.000 0.492 186 N N 2.111 120.809 118.700 -0.005 0.000 2.305 186 N HA -0.094 4.646 4.740 -0.000 0.000 0.232 186 N C 0.429 175.938 175.510 -0.002 0.000 1.274 186 N CA 0.203 53.251 53.050 -0.003 0.000 0.870 186 N CB 0.244 38.728 38.487 -0.004 0.000 1.105 186 N HN 0.611 nan 8.380 nan 0.000 0.436 187 D N -0.152 120.247 120.400 -0.001 0.000 2.106 187 D HA -0.250 4.390 4.640 -0.000 0.000 0.191 187 D C 1.568 177.868 176.300 0.001 0.000 0.997 187 D CA 1.467 55.467 54.000 0.001 0.000 0.834 187 D CB -0.394 40.407 40.800 0.001 0.000 0.956 187 D HN 0.786 nan 8.370 nan 0.000 0.448 188 Q N 0.200 120.000 119.800 0.000 0.000 2.061 188 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 188 Q C 1.351 177.352 176.000 0.001 0.000 0.984 188 Q CA 1.504 57.308 55.803 0.001 0.000 0.846 188 Q CB 0.113 28.851 28.738 -0.000 0.000 0.902 188 Q HN 0.226 nan 8.270 nan 0.000 0.421 189 D N 0.214 120.613 120.400 -0.001 0.000 2.183 189 D HA -0.117 4.523 4.640 -0.000 0.000 0.203 189 D C 1.887 178.187 176.300 0.000 0.000 0.969 189 D CA 0.445 54.444 54.000 -0.001 0.000 0.842 189 D CB 0.037 40.835 40.800 -0.003 0.000 0.957 189 D HN 0.217 nan 8.370 nan 0.000 0.484 190 L N 1.269 122.492 121.223 0.001 0.000 2.156 190 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 190 L C 1.354 178.226 176.870 0.004 0.000 1.095 190 L CA 1.674 56.515 54.840 0.002 0.000 0.770 190 L CB -0.364 41.696 42.059 0.002 0.000 0.914 190 L HN -0.213 nan 8.230 nan 0.000 0.439 191 D N -0.247 120.156 120.400 0.004 0.000 2.117 191 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 191 D C 2.347 178.651 176.300 0.006 0.000 0.987 191 D CA 1.680 55.684 54.000 0.005 0.000 0.829 191 D CB -0.116 40.687 40.800 0.005 0.000 0.961 191 D HN 0.400 nan 8.370 nan 0.000 0.460 192 I N 0.486 121.059 120.570 0.005 0.000 2.208 192 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 192 I C 2.331 178.452 176.117 0.006 0.000 1.097 192 I CA 0.569 61.872 61.300 0.005 0.000 1.363 192 I CB -0.151 37.851 38.000 0.003 0.000 1.051 192 I HN 0.041 nan 8.210 nan 0.000 0.413 193 L N 0.533 121.759 121.223 0.005 0.000 2.017 193 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 193 L C 2.397 179.273 176.870 0.010 0.000 1.073 193 L CA 1.809 56.653 54.840 0.007 0.000 0.745 193 L CB -0.657 41.405 42.059 0.005 0.000 0.894 193 L HN -0.031 nan 8.230 nan 0.000 0.432 194 V N 0.089 120.009 119.914 0.010 0.000 2.287 194 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 194 V C 2.664 178.766 176.094 0.014 0.000 1.053 194 V CA 2.169 64.477 62.300 0.013 0.000 1.027 194 V CB -0.708 31.122 31.823 0.012 0.000 0.646 194 V HN 0.483 nan 8.190 nan 0.000 0.447 195 K N 0.045 120.452 120.400 0.012 0.000 2.103 195 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 195 K C 2.290 178.899 176.600 0.014 0.000 1.048 195 K CA 1.547 57.841 56.287 0.012 0.000 0.930 195 K CB -0.439 32.067 32.500 0.010 0.000 0.716 195 K HN 0.501 nan 8.250 nan 0.000 0.444 196 A N 1.514 124.343 122.820 0.014 0.000 1.877 196 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 196 A C 2.140 179.737 177.584 0.021 0.000 1.186 196 A CA 1.288 53.335 52.037 0.016 0.000 0.620 196 A CB -0.618 18.391 19.000 0.014 0.000 0.822 196 A HN 0.161 nan 8.150 nan 0.000 0.443 197 L N -0.411 120.824 121.223 0.021 0.000 2.093 197 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 197 L C 2.171 179.058 176.870 0.027 0.000 1.085 197 L CA 1.082 55.937 54.840 0.025 0.000 0.755 197 L CB -0.664 41.409 42.059 0.024 0.000 0.904 197 L HN 0.340 nan 8.230 nan 0.000 0.435 198 N N -0.375 118.339 118.700 0.023 0.000 2.244 198 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 198 N C 1.897 177.421 175.510 0.023 0.000 1.016 198 N CA 1.263 54.327 53.050 0.023 0.000 0.866 198 N CB -0.133 38.365 38.487 0.019 0.000 0.980 198 N HN 0.155 nan 8.380 nan 0.000 0.430 199 S N 0.074 115.788 115.700 0.022 0.000 2.528 199 S HA 0.238 4.708 4.470 -0.000 0.000 0.219 199 S C 0.821 175.436 174.600 0.025 0.000 0.985 199 S CA -0.256 57.956 58.200 0.021 0.000 0.914 199 S CB 0.066 63.276 63.200 0.018 0.000 0.776 199 S HN 0.422 nan 8.310 nan 0.000 0.526 200 A N 1.927 124.766 122.820 0.031 0.000 2.511 200 A HA 0.326 4.646 4.320 -0.000 0.000 0.242 200 A C 1.305 178.914 177.584 0.042 0.000 1.069 200 A CA 0.177 52.238 52.037 0.040 0.000 0.763 200 A CB 0.191 19.220 19.000 0.049 0.000 1.001 200 A HN 0.402 nan 8.150 nan 0.000 0.498 201 S N 0.773 116.498 115.700 0.042 0.000 2.503 201 S HA 0.093 4.563 4.470 -0.000 0.000 0.215 201 S C 0.538 175.168 174.600 0.050 0.000 1.003 201 S CA 0.577 58.800 58.200 0.037 0.000 0.910 201 S CB -0.032 63.183 63.200 0.024 0.000 0.790 201 S HN 0.761 nan 8.310 nan 0.000 0.514 202 N N 1.963 120.710 118.700 0.078 0.000 2.666 202 N HA 0.349 5.089 4.740 -0.000 0.000 0.253 202 N C -3.330 172.335 175.510 0.258 0.000 1.621 202 N CA -1.478 51.651 53.050 0.131 0.000 0.785 202 N CB 1.349 39.861 38.487 0.042 0.000 1.332 202 N HN 0.138 nan 8.380 nan 0.000 0.514 203 P HA 0.288 nan 4.420 nan 0.000 0.271 203 P C -0.901 176.459 177.300 0.100 0.000 1.218 203 P CA -0.228 62.953 63.100 0.135 0.000 0.780 203 P CB 1.331 33.076 31.700 0.075 0.000 0.901 204 A N 3.451 126.254 122.820 -0.028 0.000 2.374 204 A HA 0.751 5.071 4.320 -0.000 0.000 0.317 204 A C -0.501 177.070 177.584 -0.022 0.000 1.094 204 A CA -0.899 51.060 52.037 -0.130 0.000 0.765 204 A CB 0.947 19.710 19.000 -0.394 0.000 1.268 204 A HN 0.460 nan 8.150 nan 0.000 0.438 205 I N 1.320 121.887 120.570 -0.006 0.000 2.474 205 I HA 0.508 4.678 4.170 -0.000 0.000 0.294 205 I C -0.878 175.258 176.117 0.031 0.000 1.005 205 I CA -0.918 60.375 61.300 -0.012 0.000 1.113 205 I CB 2.115 40.070 38.000 -0.075 0.000 1.289 205 I HN 0.308 nan 8.210 nan 0.000 0.436 206 V N 6.891 126.833 119.914 0.048 0.000 2.540 206 V HA 0.501 4.620 4.120 -0.000 0.000 0.302 206 V C -0.325 175.804 176.094 0.059 0.000 1.035 206 V CA -0.563 61.779 62.300 0.070 0.000 0.873 206 V CB 2.005 33.899 31.823 0.119 0.000 0.992 206 V HN 0.453 nan 8.190 nan 0.000 0.428 207 L N 3.970 125.222 121.223 0.048 0.000 2.362 207 L HA 0.846 5.186 4.340 -0.000 0.000 0.275 207 L C 0.635 177.557 176.870 0.088 0.000 0.998 207 L CA -0.307 54.575 54.840 0.071 0.000 0.820 207 L CB 1.954 44.066 42.059 0.087 0.000 1.270 207 L HN 0.772 nan 8.230 nan 0.000 0.415 208 G N 1.516 110.372 108.800 0.093 0.000 2.705 208 G HA2 0.528 4.488 3.960 -0.000 0.000 0.299 208 G HA3 0.528 4.488 3.960 -0.000 0.000 0.299 208 G C -2.063 172.905 174.900 0.115 0.000 1.315 208 G CA -0.988 44.169 45.100 0.095 0.000 1.045 208 G HN 0.413 nan 8.290 nan 0.000 0.517 209 P HA -0.017 nan 4.420 nan 0.000 0.223 209 P C 0.529 177.907 177.300 0.129 0.000 1.151 209 P CA 0.870 64.051 63.100 0.136 0.000 0.787 209 P CB 0.352 32.125 31.700 0.121 0.000 0.788 210 D N -0.338 120.135 120.400 0.121 0.000 2.269 210 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 210 D C 2.059 178.411 176.300 0.087 0.000 0.963 210 D CA 0.577 54.645 54.000 0.114 0.000 0.864 210 D CB -0.465 40.401 40.800 0.110 0.000 0.936 210 D HN 0.030 nan 8.370 nan 0.000 0.505 211 V N 1.134 121.102 119.914 0.090 0.000 2.295 211 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 211 V C 2.156 178.301 176.094 0.085 0.000 1.049 211 V CA 1.929 64.280 62.300 0.085 0.000 1.024 211 V CB -0.378 31.507 31.823 0.103 0.000 0.648 211 V HN 0.083 nan 8.190 nan 0.000 0.447 212 D N -0.153 120.307 120.400 0.100 0.000 2.178 212 D HA -0.074 4.566 4.640 -0.000 0.000 0.202 212 D C 2.066 178.422 176.300 0.094 0.000 0.974 212 D CA 1.229 55.283 54.000 0.090 0.000 0.841 212 D CB -0.095 40.760 40.800 0.093 0.000 0.953 212 D HN 0.372 nan 8.370 nan 0.000 0.478 213 A N 0.190 123.074 122.820 0.107 0.000 1.969 213 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 213 A C 2.202 179.827 177.584 0.069 0.000 1.169 213 A CA 1.584 53.682 52.037 0.102 0.000 0.635 213 A CB -0.622 18.445 19.000 0.112 0.000 0.810 213 A HN 0.271 nan 8.150 nan 0.000 0.445 214 A N -0.929 121.926 122.820 0.058 0.000 2.208 214 A HA 0.171 4.491 4.320 -0.000 0.000 0.209 214 A C 0.985 178.590 177.584 0.036 0.000 1.161 214 A CA 0.800 52.861 52.037 0.040 0.000 0.782 214 A CB -0.618 18.403 19.000 0.034 0.000 0.816 214 A HN 0.673 nan 8.150 nan 0.000 0.477 215 N N -1.993 116.731 118.700 0.041 0.000 2.714 215 N HA -0.231 4.509 4.740 -0.000 0.000 0.252 215 N C 0.435 175.958 175.510 0.023 0.000 1.014 215 N CA 0.932 53.999 53.050 0.029 0.000 0.735 215 N CB -1.253 37.246 38.487 0.020 0.000 0.924 215 N HN 0.554 nan 8.380 nan 0.000 0.540 216 A N -0.617 122.223 122.820 0.033 0.000 2.379 216 A HA 0.204 4.524 4.320 -0.000 0.000 0.236 216 A C 1.625 179.230 177.584 0.035 0.000 1.272 216 A CA 0.319 52.375 52.037 0.033 0.000 0.886 216 A CB -0.029 18.995 19.000 0.041 0.000 0.962 216 A HN 0.513 nan 8.150 nan 0.000 0.504 217 N N 1.662 120.376 118.700 0.023 0.000 2.069 217 N HA -0.159 4.580 4.740 -0.000 0.000 0.191 217 N C 1.812 177.290 175.510 -0.053 0.000 1.031 217 N CA 1.857 54.909 53.050 0.003 0.000 0.852 217 N CB -0.424 38.043 38.487 -0.033 0.000 1.018 217 N HN 0.455 nan 8.380 nan 0.000 0.423 218 A N 0.846 123.631 122.820 -0.057 0.000 1.933 218 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 218 A C 1.585 179.148 177.584 -0.035 0.000 1.175 218 A CA 1.551 53.546 52.037 -0.071 0.000 0.628 218 A CB -0.384 18.587 19.000 -0.049 0.000 0.814 218 A HN 0.142 nan 8.150 nan 0.000 0.444 219 D N -0.612 119.786 120.400 -0.003 0.000 2.183 219 D HA -0.087 4.553 4.640 -0.000 0.000 0.203 219 D C 1.914 178.239 176.300 0.042 0.000 0.969 219 D CA 1.138 55.148 54.000 0.017 0.000 0.842 219 D CB -0.430 40.383 40.800 0.022 0.000 0.957 219 D HN 0.447 nan 8.370 nan 0.000 0.484 220 C N 0.228 119.570 119.300 0.069 0.000 2.450 220 C HA -0.017 4.443 4.460 -0.000 0.000 0.279 220 C C 2.901 178.034 174.990 0.239 0.000 1.335 220 C CA -0.033 59.077 59.018 0.154 0.000 1.749 220 C CB -0.641 27.233 27.740 0.222 0.000 1.963 220 C HN 0.153 nan 8.230 nan 0.000 0.501 221 V N 0.914 120.862 119.914 0.055 0.000 2.295 221 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 221 V C 2.443 178.542 176.094 0.009 0.000 1.049 221 V CA 2.365 64.583 62.300 -0.137 0.000 1.024 221 V CB -0.657 30.925 31.823 -0.401 0.000 0.648 221 V HN 0.602 nan 8.190 nan 0.000 0.447 222 M N -0.690 118.921 119.600 0.018 0.000 2.159 222 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 222 M C 2.072 178.407 176.300 0.059 0.000 1.063 222 M CA 1.887 57.212 55.300 0.041 0.000 1.110 222 M CB -0.129 32.487 32.600 0.026 0.000 1.374 222 M HN 0.376 nan 8.290 nan 0.000 0.411 223 L N 0.733 121.996 121.223 0.065 0.000 2.056 223 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 223 L C 2.464 179.376 176.870 0.071 0.000 1.078 223 L CA 2.182 57.060 54.840 0.062 0.000 0.749 223 L CB -1.010 41.085 42.059 0.060 0.000 0.901 223 L HN 0.313 nan 8.230 nan 0.000 0.433 224 A N -0.841 122.039 122.820 0.100 0.000 1.902 224 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 224 A C 2.179 179.833 177.584 0.116 0.000 1.181 224 A CA 1.888 53.983 52.037 0.095 0.000 0.623 224 A CB -0.591 18.499 19.000 0.149 0.000 0.818 224 A HN 0.615 nan 8.150 nan 0.000 0.443 225 E N -0.841 119.442 120.200 0.139 0.000 2.152 225 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 225 E C 2.333 178.986 176.600 0.090 0.000 0.983 225 E CA 0.615 57.102 56.400 0.143 0.000 0.818 225 E CB -0.087 29.707 29.700 0.158 0.000 0.758 225 E HN 0.501 nan 8.360 nan 0.000 0.467 226 R N 0.285 120.828 120.500 0.071 0.000 2.073 226 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 226 R C 2.158 178.487 176.300 0.049 0.000 1.120 226 R CA 0.764 56.895 56.100 0.052 0.000 0.967 226 R CB -0.048 30.278 30.300 0.044 0.000 0.862 226 R HN 0.172 nan 8.270 nan 0.000 0.436 227 L N 0.815 122.068 121.223 0.051 0.000 2.554 227 L HA 0.027 4.367 4.340 -0.000 0.000 0.226 227 L C 0.097 176.998 176.870 0.051 0.000 1.137 227 L CA 0.206 55.074 54.840 0.047 0.000 0.863 227 L CB 0.075 42.159 42.059 0.041 0.000 0.985 227 L HN 0.065 nan 8.230 nan 0.000 0.451 228 K N -0.093 120.343 120.400 0.060 0.000 3.148 228 K HA -0.175 4.145 4.320 -0.000 0.000 0.267 228 K C -0.110 176.522 176.600 0.054 0.000 0.996 228 K CA 0.855 57.179 56.287 0.062 0.000 0.737 228 K CB -1.971 30.560 32.500 0.052 0.000 1.308 228 K HN 0.324 nan 8.250 nan 0.000 0.470 229 A N 0.942 123.787 122.820 0.041 0.000 2.350 229 A HA 0.724 5.044 4.320 -0.000 0.000 0.324 229 A C -2.185 175.362 177.584 -0.063 0.000 1.118 229 A CA -1.479 50.565 52.037 0.012 0.000 0.783 229 A CB 1.321 20.324 19.000 0.006 0.000 1.236 229 A HN -0.020 nan 8.150 nan 0.000 0.457 230 P HA 0.368 nan 4.420 nan 0.000 0.274 230 P C -0.791 176.226 177.300 -0.471 0.000 1.237 230 P CA -0.120 62.766 63.100 -0.355 0.000 0.793 230 P CB 1.072 32.474 31.700 -0.496 0.000 0.977 231 V N 2.208 121.699 119.914 -0.704 0.000 2.525 231 V HA 0.339 4.459 4.120 -0.000 0.000 0.299 231 V C -0.364 175.261 176.094 -0.782 0.000 1.034 231 V CA -0.444 61.459 62.300 -0.661 0.000 0.863 231 V CB 1.862 33.060 31.823 -1.043 0.000 0.999 231 V HN 0.604 nan 8.190 nan 0.000 0.423 232 W N 2.925 123.972 121.300 -0.422 0.000 2.627 232 W HA 0.647 5.307 4.660 0.000 0.000 0.339 232 W C -0.574 175.753 176.519 -0.320 0.000 1.058 232 W CA -0.739 56.339 57.345 -0.445 0.000 1.223 232 W CB 2.195 31.425 29.460 -0.383 0.000 1.389 232 W HN 0.269 nan 8.180 nan 0.000 0.541 233 V N 2.923 122.772 119.914 -0.107 0.000 2.498 233 V HA 0.272 4.392 4.120 -0.000 0.000 0.279 233 V C 0.773 176.774 176.094 -0.155 0.000 1.048 233 V CA -0.689 61.555 62.300 -0.092 0.000 0.967 233 V CB 0.482 32.186 31.823 -0.198 0.000 0.988 233 V HN 0.588 nan 8.190 nan 0.000 0.473 234 A N 8.707 131.482 122.820 -0.075 0.000 2.507 234 A HA 0.382 4.702 4.320 -0.000 0.000 0.235 234 A C -1.903 175.593 177.584 -0.148 0.000 1.070 234 A CA -0.681 51.307 52.037 -0.082 0.000 0.768 234 A CB -0.432 18.603 19.000 0.059 0.000 1.011 234 A HN 0.695 nan 8.150 nan 0.000 0.502 235 P HA 0.118 nan 4.420 nan 0.000 0.270 235 P C 0.068 177.322 177.300 -0.077 0.000 1.223 235 P CA 0.454 63.460 63.100 -0.157 0.000 0.785 235 P CB 0.495 32.117 31.700 -0.129 0.000 0.923 236 S N -1.871 113.785 115.700 -0.074 0.000 3.587 236 S HA -0.186 4.284 4.470 -0.000 0.000 0.337 236 S C 0.625 175.255 174.600 0.050 0.000 1.119 236 S CA 0.735 58.930 58.200 -0.007 0.000 0.976 236 S CB -2.247 60.988 63.200 0.059 0.000 0.922 236 S HN 0.949 nan 8.310 nan 0.000 0.503 237 A N 1.113 123.930 122.820 -0.005 0.000 2.553 237 A HA 0.368 4.688 4.320 -0.000 0.000 0.258 237 A C -0.445 177.382 177.584 0.405 0.000 1.069 237 A CA -0.361 51.766 52.037 0.150 0.000 0.767 237 A CB 0.090 19.125 19.000 0.059 0.000 0.997 237 A HN 0.310 nan 8.150 nan 0.000 0.512 238 P HA 0.079 nan 4.420 nan 0.000 0.240 238 P C 0.162 177.678 177.300 0.361 0.000 1.190 238 P CA 0.739 64.053 63.100 0.356 0.000 0.781 238 P CB 0.399 32.194 31.700 0.158 0.000 0.931 239 R N -2.210 118.529 120.500 0.399 0.000 2.764 239 R HA 0.523 4.863 4.340 -0.000 0.000 0.270 239 R C -1.430 175.128 176.300 0.430 0.000 1.014 239 R CA -0.756 55.529 56.100 0.309 0.000 0.904 239 R CB 1.202 31.603 30.300 0.169 0.000 1.236 239 R HN -0.150 nan 8.270 nan 0.000 0.466 240 C N 3.196 122.667 119.300 0.284 0.000 2.251 240 C HA 0.473 4.933 4.460 -0.000 0.000 0.323 240 C C -1.535 173.562 174.990 0.178 0.000 1.241 240 C CA -1.962 57.223 59.018 0.279 0.000 1.601 240 C CB 0.493 28.245 27.740 0.020 0.000 2.251 240 C HN 0.616 nan 8.230 nan 0.000 0.488 241 P HA 0.183 nan 4.420 nan 0.000 0.261 241 P C -0.258 177.199 177.300 0.262 0.000 1.268 241 P CA 0.353 63.575 63.100 0.204 0.000 0.833 241 P CB 0.079 31.906 31.700 0.211 0.000 1.231 242 F N 1.655 121.612 119.950 0.012 0.000 2.628 242 F HA 0.445 4.972 4.527 0.000 0.000 0.309 242 F C -2.572 173.089 175.800 -0.231 0.000 1.108 242 F CA -2.433 55.529 58.000 -0.063 0.000 0.971 242 F CB 2.106 41.141 39.000 0.059 0.000 1.279 242 F HN -0.338 nan 8.300 nan 0.000 0.441 243 P HA 0.064 nan 4.420 nan 0.000 0.267 243 P C 0.451 177.507 177.300 -0.405 0.000 1.209 243 P CA 0.184 63.075 63.100 -0.348 0.000 0.763 243 P CB 0.725 32.242 31.700 -0.306 0.000 0.816 244 T N 0.547 114.781 114.554 -0.533 0.000 3.113 244 T HA -0.014 4.336 4.350 -0.000 0.000 0.263 244 T C 1.088 175.652 174.700 -0.227 0.000 1.143 244 T CA 0.600 62.203 62.100 -0.829 0.000 1.090 244 T CB -0.246 68.310 68.868 -0.519 0.000 0.922 244 T HN 0.243 nan 8.240 nan 0.000 0.521 245 R N 0.552 121.003 120.500 -0.081 0.000 2.577 245 R HA 0.231 4.571 4.340 -0.000 0.000 0.344 245 R C 0.126 176.475 176.300 0.081 0.000 1.037 245 R CA -0.373 55.748 56.100 0.035 0.000 1.102 245 R CB -0.374 29.921 30.300 -0.008 0.000 1.313 245 R HN 0.581 nan 8.270 nan 0.000 0.561 246 H N 2.593 121.691 119.070 0.047 0.000 2.732 246 H HA 0.074 4.630 4.556 -0.000 0.000 0.351 246 H C -1.387 174.032 175.328 0.152 0.000 1.090 246 H CA -1.232 54.868 56.048 0.088 0.000 1.431 246 H CB 1.706 31.536 29.762 0.114 0.000 1.447 246 H HN -0.169 nan 8.280 nan 0.000 0.582 247 P HA -0.166 nan 4.420 nan 0.000 0.217 247 P C 1.335 178.729 177.300 0.157 0.000 1.148 247 P CA 1.266 64.365 63.100 -0.002 0.000 0.834 247 P CB -0.061 31.567 31.700 -0.120 0.000 0.783 248 C N -2.889 116.674 119.300 0.439 0.000 2.495 248 C HA 0.147 4.607 4.460 -0.000 0.000 0.275 248 C C 1.360 176.355 174.990 0.009 0.000 1.392 248 C CA -0.680 58.466 59.018 0.214 0.000 1.766 248 C CB -1.827 26.064 27.740 0.251 0.000 1.933 248 C HN 0.099 nan 8.230 nan 0.000 0.519 249 F N 2.508 122.491 119.950 0.055 0.000 2.541 249 F HA 0.188 4.715 4.527 -0.000 0.000 0.378 249 F C 1.269 176.910 175.800 -0.265 0.000 1.068 249 F CA 0.235 58.169 58.000 -0.110 0.000 1.199 249 F CB 0.417 39.510 39.000 0.156 0.000 1.091 249 F HN 0.004 nan 8.300 nan 0.000 0.555 250 R N 4.006 123.790 120.500 -1.193 0.000 2.476 250 R HA 0.333 4.673 4.340 -0.000 0.000 0.276 250 R C 0.682 176.361 176.300 -1.035 0.000 0.941 250 R CA 0.368 55.803 56.100 -1.108 0.000 1.088 250 R CB -0.027 29.290 30.300 -1.638 0.000 1.216 250 R HN 0.969 nan 8.270 nan 0.000 0.533 251 G N 1.225 109.031 108.800 -1.657 0.000 2.610 251 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.304 251 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.304 251 G C -1.163 173.392 174.900 -0.575 0.000 1.309 251 G CA -0.659 43.896 45.100 -0.908 0.000 0.906 251 G HN 0.146 nan 8.290 nan 0.000 0.521 252 L N 0.978 121.909 121.223 -0.486 0.000 2.360 252 L HA 0.663 5.003 4.340 -0.000 0.000 0.276 252 L C 1.222 177.896 176.870 -0.326 0.000 1.121 252 L CA -0.122 54.345 54.840 -0.622 0.000 0.845 252 L CB 0.549 41.998 42.059 -1.016 0.000 1.143 252 L HN 0.592 nan 8.230 nan 0.000 0.452 253 M N 7.787 127.218 119.600 -0.281 0.000 2.239 253 M HA 0.224 4.704 4.480 -0.000 0.000 0.348 253 M C -1.954 174.197 176.300 -0.248 0.000 1.239 253 M CA -1.467 53.663 55.300 -0.283 0.000 1.114 253 M CB 0.309 32.666 32.600 -0.404 0.000 1.641 253 M HN 0.471 nan 8.290 nan 0.000 0.453 254 P HA 0.110 nan 4.420 nan 0.000 0.271 254 P C -0.856 176.410 177.300 -0.056 0.000 1.218 254 P CA -0.283 62.744 63.100 -0.121 0.000 0.780 254 P CB 0.533 32.178 31.700 -0.093 0.000 0.901 255 A N 2.430 125.269 122.820 0.032 0.000 3.074 255 A HA 0.511 4.831 4.320 -0.000 0.000 0.251 255 A C 0.778 178.536 177.584 0.291 0.000 1.695 255 A CA 0.012 52.152 52.037 0.172 0.000 1.343 255 A CB -1.350 17.793 19.000 0.238 0.000 1.078 255 A HN 0.647 nan 8.150 nan 0.000 0.644 256 G N -0.706 108.234 108.800 0.233 0.000 2.682 256 G HA2 0.484 4.444 3.960 -0.000 0.000 0.300 256 G HA3 0.484 4.444 3.960 -0.000 0.000 0.300 256 G C 0.488 175.363 174.900 -0.043 0.000 1.391 256 G CA -0.628 44.526 45.100 0.092 0.000 0.990 256 G HN 0.161 nan 8.290 nan 0.000 0.501 257 I N 1.491 121.807 120.570 -0.422 0.000 2.142 257 I HA -0.188 3.982 4.170 -0.000 0.000 0.240 257 I C 3.025 179.018 176.117 -0.205 0.000 1.078 257 I CA 1.877 62.867 61.300 -0.516 0.000 1.343 257 I CB -0.027 37.589 38.000 -0.641 0.000 1.046 257 I HN 0.560 nan 8.210 nan 0.000 0.405 258 A N 0.554 123.244 122.820 -0.216 0.000 1.898 258 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 258 A C 2.536 180.047 177.584 -0.122 0.000 1.181 258 A CA 1.653 53.592 52.037 -0.164 0.000 0.620 258 A CB -0.941 17.954 19.000 -0.175 0.000 0.819 258 A HN 0.417 nan 8.150 nan 0.000 0.442 259 A N -0.156 122.597 122.820 -0.113 0.000 1.940 259 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 259 A C 2.102 179.594 177.584 -0.153 0.000 1.176 259 A CA 1.711 53.682 52.037 -0.111 0.000 0.631 259 A CB -0.576 18.369 19.000 -0.090 0.000 0.814 259 A HN 0.518 nan 8.150 nan 0.000 0.446 260 I N 0.233 120.717 120.570 -0.144 0.000 2.406 260 I HA -0.175 3.995 4.170 -0.000 0.000 0.249 260 I C 2.793 178.794 176.117 -0.192 0.000 1.122 260 I CA 1.237 62.395 61.300 -0.237 0.000 1.431 260 I CB -0.188 37.664 38.000 -0.247 0.000 1.087 260 I HN 0.473 nan 8.210 nan 0.000 0.424 261 S N 0.307 115.958 115.700 -0.082 0.000 2.382 261 S HA -0.286 4.184 4.470 -0.000 0.000 0.228 261 S C 1.960 176.511 174.600 -0.081 0.000 1.027 261 S CA 1.201 59.373 58.200 -0.047 0.000 0.991 261 S CB -0.550 62.641 63.200 -0.014 0.000 0.823 261 S HN 0.507 nan 8.310 nan 0.000 0.469 262 Q N 0.255 119.993 119.800 -0.103 0.000 2.050 262 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 262 Q C 2.091 178.019 176.000 -0.119 0.000 0.980 262 Q CA 1.245 56.991 55.803 -0.095 0.000 0.840 262 Q CB -0.239 28.444 28.738 -0.091 0.000 0.898 262 Q HN 0.465 nan 8.270 nan 0.000 0.424 263 L N 0.422 121.523 121.223 -0.204 0.000 2.079 263 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 263 L C 1.870 178.539 176.870 -0.335 0.000 1.081 263 L CA 1.563 56.209 54.840 -0.323 0.000 0.752 263 L CB -0.286 41.419 42.059 -0.590 0.000 0.896 263 L HN 0.302 nan 8.230 nan 0.000 0.433 264 L N -1.237 119.827 121.223 -0.264 0.000 2.592 264 L HA 0.084 4.424 4.340 -0.000 0.000 0.227 264 L C 0.871 177.781 176.870 0.066 0.000 1.127 264 L CA -0.233 54.535 54.840 -0.120 0.000 0.884 264 L CB -0.164 41.802 42.059 -0.155 0.000 1.065 264 L HN 0.195 nan 8.230 nan 0.000 0.457 265 E N 0.514 120.716 120.200 0.004 0.000 2.384 265 E HA 0.195 4.545 4.350 -0.000 0.000 0.266 265 E C 1.125 177.696 176.600 -0.048 0.000 1.012 265 E CA 0.811 57.205 56.400 -0.009 0.000 0.901 265 E CB 0.498 30.179 29.700 -0.032 0.000 0.967 265 E HN 0.271 nan 8.360 nan 0.000 0.435 266 G N 4.003 112.766 108.800 -0.062 0.000 2.195 266 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.246 266 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.246 266 G C -0.125 174.654 174.900 -0.200 0.000 0.984 266 G CA 0.096 45.114 45.100 -0.136 0.000 0.633 266 G HN 0.712 nan 8.290 nan 0.000 0.525 267 H N 1.743 120.821 119.070 0.014 0.000 2.705 267 H HA 0.256 4.812 4.556 -0.000 0.000 0.291 267 H C 1.219 176.560 175.328 0.022 0.000 1.085 267 H CA 0.308 56.373 56.048 0.028 0.000 1.357 267 H CB 1.390 31.175 29.762 0.039 0.000 1.419 267 H HN 0.478 nan 8.280 nan 0.000 0.462 268 D N 2.472 122.943 120.400 0.119 0.000 2.123 268 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 268 D C 0.616 176.961 176.300 0.076 0.000 0.976 268 D CA 0.519 54.563 54.000 0.074 0.000 0.831 268 D CB 0.216 41.045 40.800 0.048 0.000 0.974 268 D HN 0.115 nan 8.370 nan 0.000 0.469 269 V N 0.964 120.931 119.914 0.089 0.000 2.495 269 V HA 0.392 4.511 4.120 -0.000 0.000 0.298 269 V C -0.316 175.819 176.094 0.069 0.000 1.031 269 V CA -0.967 61.373 62.300 0.067 0.000 0.871 269 V CB 2.445 34.299 31.823 0.051 0.000 0.988 269 V HN -0.050 nan 8.190 nan 0.000 0.432 270 V N 5.858 125.803 119.914 0.052 0.000 2.407 270 V HA 0.427 4.547 4.120 -0.000 0.000 0.291 270 V C -0.553 175.562 176.094 0.036 0.000 1.018 270 V CA -0.539 61.784 62.300 0.039 0.000 0.842 270 V CB 1.644 33.496 31.823 0.048 0.000 0.996 270 V HN 0.659 nan 8.190 nan 0.000 0.426 271 L N 7.541 128.782 121.223 0.030 0.000 2.262 271 L HA 0.610 4.949 4.340 -0.000 0.000 0.288 271 L C -0.325 176.565 176.870 0.034 0.000 1.035 271 L CA 0.171 55.026 54.840 0.025 0.000 0.820 271 L CB 1.383 43.454 42.059 0.020 0.000 1.204 271 L HN 0.449 nan 8.230 nan 0.000 0.424 272 V N 6.760 126.692 119.914 0.029 0.000 2.407 272 V HA 0.478 4.597 4.120 -0.000 0.000 0.278 272 V C 0.188 176.294 176.094 0.020 0.000 1.037 272 V CA -0.395 61.930 62.300 0.042 0.000 0.900 272 V CB 1.287 33.120 31.823 0.017 0.000 0.983 272 V HN 0.583 nan 8.190 nan 0.000 0.459 273 I N 3.468 124.059 120.570 0.036 0.000 2.447 273 I HA 0.605 4.775 4.170 -0.000 0.000 0.287 273 I C 0.940 177.083 176.117 0.044 0.000 1.023 273 I CA -0.477 60.843 61.300 0.032 0.000 1.083 273 I CB 1.733 39.756 38.000 0.039 0.000 1.245 273 I HN 0.837 nan 8.210 nan 0.000 0.434 274 G N 4.405 113.224 108.800 0.033 0.000 2.198 274 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.260 274 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.260 274 G C -0.046 174.891 174.900 0.061 0.000 1.025 274 G CA 0.250 45.380 45.100 0.049 0.000 0.769 274 G HN 1.029 nan 8.290 nan 0.000 0.507 275 A N -0.645 122.198 122.820 0.039 0.000 2.498 275 A HA 0.949 5.269 4.320 -0.000 0.000 0.298 275 A C -2.665 174.906 177.584 -0.021 0.000 1.075 275 A CA -1.505 50.554 52.037 0.037 0.000 0.714 275 A CB 1.855 20.904 19.000 0.082 0.000 1.299 275 A HN 0.093 nan 8.150 nan 0.000 0.407 276 P HA 0.325 nan 4.420 nan 0.000 0.272 276 P C -0.722 176.435 177.300 -0.237 0.000 1.223 276 P CA -0.120 62.918 63.100 -0.103 0.000 0.784 276 P CB 0.731 32.389 31.700 -0.070 0.000 0.923 277 V N 3.741 123.403 119.914 -0.420 0.000 2.257 277 V HA 0.361 4.481 4.120 -0.000 0.000 0.269 277 V C -0.416 175.325 176.094 -0.589 0.000 1.040 277 V CA -0.001 61.737 62.300 -0.936 0.000 0.813 277 V CB -0.910 30.390 31.823 -0.871 0.000 1.065 277 V HN 0.387 nan 8.190 nan 0.000 0.457 278 F N 2.147 121.807 119.950 -0.482 0.000 2.611 278 F HA 0.632 5.159 4.527 -0.000 0.000 0.324 278 F C 0.558 175.970 175.800 -0.645 0.000 1.061 278 F CA -1.359 56.275 58.000 -0.611 0.000 0.954 278 F CB 1.741 40.257 39.000 -0.807 0.000 1.301 278 F HN 0.183 nan 8.300 nan 0.000 0.482 279 R N 1.603 122.015 120.500 -0.147 0.000 3.710 279 R HA 0.231 4.571 4.340 -0.000 0.000 0.201 279 R C -1.395 174.892 176.300 -0.022 0.000 1.641 279 R CA -0.114 55.940 56.100 -0.077 0.000 1.390 279 R CB -1.252 29.040 30.300 -0.012 0.000 1.341 279 R HN 0.343 nan 8.270 nan 0.000 0.728 280 Y N 0.132 120.545 120.300 0.189 0.000 2.385 280 Y HA 0.061 4.611 4.550 -0.000 0.000 0.346 280 Y C 1.691 177.742 175.900 0.252 0.000 1.270 280 Y CA 0.445 58.668 58.100 0.205 0.000 1.472 280 Y CB 0.454 39.051 38.460 0.229 0.000 1.354 280 Y HN 0.501 nan 8.280 nan 0.000 0.611 281 H N -0.863 118.415 119.070 0.348 0.000 2.286 281 H HA 0.120 4.676 4.556 -0.000 0.000 0.163 281 H C 0.084 175.626 175.328 0.358 0.000 1.015 281 H CA -0.134 56.097 56.048 0.305 0.000 1.107 281 H CB 0.514 30.463 29.762 0.312 0.000 1.050 281 H HN 0.649 nan 8.280 nan 0.000 0.360 282 Q N 1.458 121.529 119.800 0.452 0.000 2.364 282 Q HA -0.063 4.277 4.340 -0.000 0.000 0.267 282 Q C -1.046 175.160 176.000 0.343 0.000 0.999 282 Q CA -0.200 55.849 55.803 0.410 0.000 0.886 282 Q CB 0.722 29.662 28.738 0.336 0.000 1.243 282 Q HN 0.429 nan 8.270 nan 0.000 0.415 283 Y N 2.194 122.587 120.300 0.154 0.000 2.436 283 Y HA 0.182 4.731 4.550 -0.000 0.000 0.336 283 Y C -0.830 175.078 175.900 0.014 0.000 1.049 283 Y CA -0.602 57.536 58.100 0.064 0.000 1.294 283 Y CB 0.674 39.163 38.460 0.049 0.000 1.179 283 Y HN 0.813 nan 8.280 nan 0.000 0.520 284 D N 8.697 128.886 120.400 -0.351 0.000 2.846 284 D HA 0.265 4.905 4.640 -0.000 0.000 0.279 284 D C -3.054 172.950 176.300 -0.494 0.000 1.222 284 D CA -1.797 51.986 54.000 -0.361 0.000 0.769 284 D CB 0.732 41.435 40.800 -0.163 0.000 1.299 284 D HN 0.219 nan 8.370 nan 0.000 0.537 285 P HA 0.457 nan 4.420 nan 0.000 0.269 285 P C 0.526 177.606 177.300 -0.366 0.000 1.215 285 P CA 0.306 63.056 63.100 -0.583 0.000 0.780 285 P CB 1.621 32.958 31.700 -0.606 0.000 0.898 286 G N 1.108 109.709 108.800 -0.332 0.000 2.513 286 G HA2 0.081 4.041 3.960 -0.000 0.000 0.182 286 G HA3 0.081 4.041 3.960 -0.000 0.000 0.182 286 G C -1.544 173.176 174.900 -0.299 0.000 1.190 286 G CA -0.599 44.345 45.100 -0.259 0.000 0.987 286 G HN 0.475 nan 8.290 nan 0.000 0.479 287 Q N -0.387 119.281 119.800 -0.221 0.000 2.259 287 Q HA 0.520 4.860 4.340 -0.000 0.000 0.249 287 Q C 0.271 176.171 176.000 -0.167 0.000 0.914 287 Q CA -0.672 55.022 55.803 -0.183 0.000 0.904 287 Q CB 1.504 30.197 28.738 -0.075 0.000 1.213 287 Q HN 0.504 nan 8.270 nan 0.000 0.428 288 Y N 0.811 121.122 120.300 0.019 0.000 2.220 288 Y HA -0.001 4.549 4.550 -0.000 0.000 0.291 288 Y C 0.491 176.446 175.900 0.092 0.000 1.129 288 Y CA 0.860 59.009 58.100 0.081 0.000 1.161 288 Y CB 0.367 38.886 38.460 0.099 0.000 0.997 288 Y HN 0.378 nan 8.280 nan 0.000 0.522 289 L N -0.468 120.875 121.223 0.201 0.000 2.434 289 L HA 0.372 4.712 4.340 -0.000 0.000 0.260 289 L C -0.615 176.291 176.870 0.060 0.000 0.983 289 L CA -1.115 53.797 54.840 0.120 0.000 0.820 289 L CB 2.712 44.843 42.059 0.119 0.000 1.361 289 L HN -0.246 nan 8.230 nan 0.000 0.410 290 K N 1.568 121.987 120.400 0.032 0.000 2.098 290 K HA 0.419 4.739 4.320 -0.000 0.000 0.257 290 K C -2.391 174.221 176.600 0.019 0.000 0.999 290 K CA -1.578 54.716 56.287 0.011 0.000 0.924 290 K CB 0.488 32.984 32.500 -0.007 0.000 1.028 290 K HN 0.233 nan 8.250 nan 0.000 0.466 291 P HA -0.025 nan 4.420 nan 0.000 0.266 291 P C 0.492 177.799 177.300 0.012 0.000 1.195 291 P CA 0.614 63.722 63.100 0.012 0.000 0.768 291 P CB 0.549 32.252 31.700 0.005 0.000 0.838 292 G N 1.128 109.938 108.800 0.016 0.000 2.234 292 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.235 292 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.235 292 G C 0.168 175.085 174.900 0.028 0.000 0.997 292 G CA 0.071 45.181 45.100 0.016 0.000 0.623 292 G HN 0.638 nan 8.290 nan 0.000 0.514 293 T N 2.200 116.776 114.554 0.036 0.000 2.767 293 T HA 0.638 4.988 4.350 -0.000 0.000 0.288 293 T C 0.006 174.735 174.700 0.047 0.000 0.963 293 T CA -0.338 61.793 62.100 0.051 0.000 1.019 293 T CB 1.920 70.823 68.868 0.059 0.000 0.923 293 T HN 0.286 nan 8.240 nan 0.000 0.468 294 R N 2.977 123.505 120.500 0.047 0.000 2.387 294 R HA 0.491 4.831 4.340 -0.000 0.000 0.314 294 R C -1.233 175.088 176.300 0.036 0.000 0.958 294 R CA -0.743 55.378 56.100 0.036 0.000 0.846 294 R CB 1.398 31.716 30.300 0.030 0.000 1.147 294 R HN 0.582 nan 8.270 nan 0.000 0.447 295 L N 5.572 126.810 121.223 0.025 0.000 2.307 295 L HA 0.581 4.921 4.340 -0.000 0.000 0.284 295 L C -0.900 175.965 176.870 -0.008 0.000 1.023 295 L CA -0.500 54.349 54.840 0.015 0.000 0.810 295 L CB 1.232 43.296 42.059 0.009 0.000 1.231 295 L HN 0.562 nan 8.230 nan 0.000 0.423 296 I N 4.007 124.573 120.570 -0.007 0.000 2.418 296 I HA 0.329 4.499 4.170 -0.000 0.000 0.287 296 I C -0.369 175.730 176.117 -0.030 0.000 1.008 296 I CA -0.354 60.936 61.300 -0.018 0.000 1.104 296 I CB 1.953 39.950 38.000 -0.005 0.000 1.264 296 I HN 0.530 nan 8.210 nan 0.000 0.438 297 S N 5.518 121.187 115.700 -0.052 0.000 2.475 297 S HA 0.697 5.167 4.470 -0.000 0.000 0.298 297 S C -0.755 173.819 174.600 -0.043 0.000 1.119 297 S CA -0.457 57.705 58.200 -0.064 0.000 1.085 297 S CB 1.389 64.521 63.200 -0.113 0.000 1.028 297 S HN 0.336 nan 8.310 nan 0.000 0.489 298 V N 4.078 123.973 119.914 -0.031 0.000 2.407 298 V HA 0.678 4.798 4.120 -0.000 0.000 0.291 298 V C 0.187 176.267 176.094 -0.025 0.000 1.018 298 V CA -0.506 61.780 62.300 -0.023 0.000 0.842 298 V CB 1.281 33.099 31.823 -0.009 0.000 0.996 298 V HN 0.956 nan 8.190 nan 0.000 0.426 299 T N 2.845 117.378 114.554 -0.034 0.000 2.900 299 T HA 0.280 4.630 4.350 -0.000 0.000 0.303 299 T C 0.691 175.357 174.700 -0.056 0.000 1.142 299 T CA -0.007 62.071 62.100 -0.037 0.000 1.007 299 T CB 1.495 70.338 68.868 -0.041 0.000 1.156 299 T HN 0.870 nan 8.240 nan 0.000 0.490 300 C N 1.287 120.537 119.300 -0.084 0.000 2.697 300 C HA 0.502 4.962 4.460 -0.000 0.000 0.267 300 C C 0.404 175.288 174.990 -0.177 0.000 1.278 300 C CA -0.460 58.480 59.018 -0.130 0.000 1.708 300 C CB -1.426 26.217 27.740 -0.162 0.000 1.860 300 C HN 0.734 nan 8.230 nan 0.000 0.589 301 D N 1.110 121.421 120.400 -0.149 0.000 2.471 301 D HA 0.378 5.018 4.640 -0.000 0.000 0.245 301 D C -1.882 174.381 176.300 -0.062 0.000 1.116 301 D CA -2.003 51.916 54.000 -0.135 0.000 0.853 301 D CB 2.036 42.768 40.800 -0.112 0.000 1.123 301 D HN -0.092 nan 8.370 nan 0.000 0.540 302 P HA -0.094 nan 4.420 nan 0.000 0.217 302 P C 1.722 179.019 177.300 -0.006 0.000 1.148 302 P CA 0.826 63.912 63.100 -0.024 0.000 0.828 302 P CB 0.368 32.061 31.700 -0.013 0.000 0.783 303 L N -0.613 120.619 121.223 0.015 0.000 2.083 303 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 303 L C 2.376 179.259 176.870 0.021 0.000 1.083 303 L CA 1.638 56.504 54.840 0.044 0.000 0.752 303 L CB -0.842 41.279 42.059 0.103 0.000 0.899 303 L HN 0.066 nan 8.230 nan 0.000 0.433 304 E N 0.089 120.291 120.200 0.004 0.000 2.046 304 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 304 E C 2.352 178.918 176.600 -0.056 0.000 0.982 304 E CA 1.028 57.414 56.400 -0.025 0.000 0.800 304 E CB -0.184 29.504 29.700 -0.020 0.000 0.756 304 E HN 0.472 nan 8.360 nan 0.000 0.449 305 A N 1.707 124.497 122.820 -0.051 0.000 1.917 305 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 305 A C 2.406 179.956 177.584 -0.056 0.000 1.182 305 A CA 2.011 54.012 52.037 -0.060 0.000 0.633 305 A CB -0.745 18.227 19.000 -0.047 0.000 0.819 305 A HN 0.305 nan 8.150 nan 0.000 0.448 306 A N 0.387 123.185 122.820 -0.036 0.000 1.930 306 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 306 A C 2.168 179.729 177.584 -0.038 0.000 1.175 306 A CA 1.619 53.639 52.037 -0.028 0.000 0.627 306 A CB -0.417 18.578 19.000 -0.008 0.000 0.815 306 A HN 0.725 nan 8.150 nan 0.000 0.443 307 R N -0.572 119.903 120.500 -0.041 0.000 2.317 307 R HA 0.474 4.814 4.340 -0.000 0.000 0.208 307 R C 0.695 176.940 176.300 -0.092 0.000 0.914 307 R CA 0.527 56.599 56.100 -0.046 0.000 1.060 307 R CB -0.441 29.849 30.300 -0.016 0.000 1.015 307 R HN 0.259 nan 8.270 nan 0.000 0.498 308 A N 2.948 125.693 122.820 -0.126 0.000 2.548 308 A HA 0.167 4.487 4.320 -0.000 0.000 0.247 308 A C -1.553 175.907 177.584 -0.207 0.000 1.067 308 A CA -1.127 50.793 52.037 -0.195 0.000 0.757 308 A CB 0.219 19.096 19.000 -0.206 0.000 0.996 308 A HN 0.227 nan 8.150 nan 0.000 0.504 309 P HA 0.014 nan 4.420 nan 0.000 0.233 309 P C -0.012 177.100 177.300 -0.312 0.000 1.167 309 P CA 0.995 63.833 63.100 -0.437 0.000 0.770 309 P CB -0.038 30.991 31.700 -1.119 0.000 0.837 310 M N -3.348 116.116 119.600 -0.227 0.000 2.682 310 M HA 0.642 5.122 4.480 -0.000 0.000 0.272 310 M C -0.340 175.899 176.300 -0.101 0.000 1.232 310 M CA -0.463 54.770 55.300 -0.112 0.000 0.849 310 M CB 1.022 33.599 32.600 -0.038 0.000 1.695 310 M HN 0.053 nan 8.290 nan 0.000 0.481 311 G N 1.601 110.368 108.800 -0.055 0.000 2.746 311 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.685 311 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.685 311 G C -1.551 173.318 174.900 -0.052 0.000 1.350 311 G CA -0.334 44.736 45.100 -0.050 0.000 0.837 311 G HN 0.985 nan 8.290 nan 0.000 0.564 312 D N 0.103 120.479 120.400 -0.040 0.000 2.312 312 D HA 0.729 5.368 4.640 -0.000 0.000 0.248 312 D C 0.687 176.958 176.300 -0.049 0.000 1.086 312 D CA 1.010 54.988 54.000 -0.037 0.000 0.948 312 D CB 1.580 42.367 40.800 -0.023 0.000 1.162 312 D HN 1.204 nan 8.370 nan 0.000 0.446 313 A N 0.941 123.734 122.820 -0.045 0.000 2.475 313 A HA 0.716 5.036 4.320 -0.000 0.000 0.301 313 A C -0.948 176.615 177.584 -0.036 0.000 1.059 313 A CA -0.624 51.384 52.037 -0.049 0.000 0.710 313 A CB 0.962 19.926 19.000 -0.060 0.000 1.288 313 A HN 0.478 nan 8.150 nan 0.000 0.408 314 I N 1.670 122.220 120.570 -0.034 0.000 2.436 314 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 314 I C -0.801 175.297 176.117 -0.032 0.000 1.010 314 I CA -0.908 60.375 61.300 -0.028 0.000 1.098 314 I CB 2.191 40.179 38.000 -0.020 0.000 1.266 314 I HN 0.300 nan 8.210 nan 0.000 0.434 315 V N 6.048 125.943 119.914 -0.032 0.000 2.318 315 V HA 0.805 4.925 4.120 -0.000 0.000 0.271 315 V C 0.249 176.321 176.094 -0.037 0.000 1.030 315 V CA -0.091 62.185 62.300 -0.039 0.000 0.844 315 V CB 0.552 32.352 31.823 -0.039 0.000 1.015 315 V HN 0.876 nan 8.190 nan 0.000 0.460 316 A N 3.596 126.393 122.820 -0.039 0.000 2.581 316 A HA 0.660 4.980 4.320 -0.000 0.000 0.290 316 A C -1.144 176.418 177.584 -0.037 0.000 1.119 316 A CA -0.760 51.257 52.037 -0.033 0.000 0.670 316 A CB 1.282 20.269 19.000 -0.022 0.000 1.280 316 A HN 0.658 nan 8.150 nan 0.000 0.425 317 D N 0.238 120.620 120.400 -0.030 0.000 2.425 317 D HA 0.277 4.917 4.640 -0.000 0.000 0.247 317 D C 1.068 177.360 176.300 -0.014 0.000 1.147 317 D CA -0.258 53.726 54.000 -0.027 0.000 0.879 317 D CB 0.378 41.167 40.800 -0.018 0.000 1.179 317 D HN 0.257 nan 8.370 nan 0.000 0.456 318 I N 3.692 124.256 120.570 -0.011 0.000 2.252 318 I HA -0.049 4.121 4.170 -0.000 0.000 0.245 318 I C 2.284 178.409 176.117 0.013 0.000 1.102 318 I CA 1.104 62.407 61.300 0.005 0.000 1.385 318 I CB -1.590 36.420 38.000 0.016 0.000 1.064 318 I HN 0.668 nan 8.210 nan 0.000 0.414 319 G N 0.793 109.600 108.800 0.012 0.000 2.459 319 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 319 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 319 G C 1.848 176.756 174.900 0.013 0.000 1.183 319 G CA 1.129 46.239 45.100 0.016 0.000 0.776 319 G HN 0.482 nan 8.290 nan 0.000 0.552 320 A N 0.028 122.853 122.820 0.008 0.000 1.933 320 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 320 A C 2.437 180.025 177.584 0.007 0.000 1.175 320 A CA 1.873 53.914 52.037 0.007 0.000 0.628 320 A CB -0.279 18.723 19.000 0.004 0.000 0.814 320 A HN 0.321 nan 8.150 nan 0.000 0.444 321 M N -0.796 118.808 119.600 0.006 0.000 2.193 321 M HA 0.008 4.488 4.480 -0.000 0.000 0.265 321 M C 2.562 178.870 176.300 0.013 0.000 1.071 321 M CA 1.399 56.703 55.300 0.007 0.000 1.140 321 M CB -1.309 31.293 32.600 0.003 0.000 1.369 321 M HN 0.473 nan 8.290 nan 0.000 0.423 322 A N -0.298 122.533 122.820 0.018 0.000 1.883 322 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 322 A C 2.462 180.060 177.584 0.023 0.000 1.186 322 A CA 2.399 54.452 52.037 0.026 0.000 0.624 322 A CB -1.058 17.962 19.000 0.034 0.000 0.822 322 A HN 0.484 nan 8.150 nan 0.000 0.444 323 S N -0.429 115.282 115.700 0.019 0.000 2.353 323 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 323 S C 2.226 176.835 174.600 0.014 0.000 1.035 323 S CA 1.910 60.119 58.200 0.015 0.000 1.025 323 S CB -0.598 62.610 63.200 0.013 0.000 0.902 323 S HN 0.900 nan 8.310 nan 0.000 0.440 324 A N 1.308 124.136 122.820 0.013 0.000 1.883 324 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 324 A C 2.280 179.872 177.584 0.013 0.000 1.186 324 A CA 1.739 53.783 52.037 0.011 0.000 0.624 324 A CB -0.931 18.075 19.000 0.009 0.000 0.822 324 A HN 0.586 nan 8.150 nan 0.000 0.444 325 L N -0.899 120.334 121.223 0.016 0.000 2.056 325 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 325 L C 3.125 180.009 176.870 0.022 0.000 1.078 325 L CA 0.993 55.844 54.840 0.018 0.000 0.749 325 L CB -0.611 41.460 42.059 0.020 0.000 0.901 325 L HN 0.432 nan 8.230 nan 0.000 0.433 326 A N 0.359 123.194 122.820 0.024 0.000 1.892 326 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 326 A C 1.981 179.578 177.584 0.022 0.000 1.188 326 A CA 2.115 54.168 52.037 0.027 0.000 0.631 326 A CB -0.580 18.436 19.000 0.026 0.000 0.822 326 A HN 0.492 nan 8.150 nan 0.000 0.447 327 N N -0.818 117.893 118.700 0.018 0.000 2.412 327 N HA 0.121 4.861 4.740 -0.000 0.000 0.184 327 N C 1.293 176.812 175.510 0.014 0.000 1.101 327 N CA 0.549 53.608 53.050 0.015 0.000 0.881 327 N CB 0.181 38.675 38.487 0.012 0.000 0.969 327 N HN 0.490 nan 8.380 nan 0.000 0.459 328 L N 0.447 121.679 121.223 0.015 0.000 2.470 328 L HA 0.139 4.479 4.340 -0.000 0.000 0.219 328 L C 0.556 177.435 176.870 0.016 0.000 1.071 328 L CA 0.034 54.882 54.840 0.014 0.000 0.850 328 L CB 0.251 42.317 42.059 0.012 0.000 1.040 328 L HN -0.103 nan 8.230 nan 0.000 0.475 329 V N -1.231 118.694 119.914 0.019 0.000 2.637 329 V HA 0.139 4.259 4.120 -0.000 0.000 0.296 329 V C 0.194 176.301 176.094 0.021 0.000 1.046 329 V CA -0.872 61.440 62.300 0.021 0.000 1.066 329 V CB 0.432 32.270 31.823 0.025 0.000 0.968 329 V HN 0.153 nan 8.190 nan 0.000 0.483 330 E N 2.218 122.430 120.200 0.020 0.000 2.390 330 E HA 0.165 4.515 4.350 -0.000 0.000 0.261 330 E C -0.011 176.603 176.600 0.024 0.000 1.076 330 E CA -0.286 56.126 56.400 0.020 0.000 0.905 330 E CB 0.824 30.535 29.700 0.018 0.000 0.984 330 E HN 0.826 nan 8.360 nan 0.000 0.427 331 E N 1.385 121.599 120.200 0.023 0.000 2.290 331 E HA 0.024 4.374 4.350 -0.000 0.000 0.277 331 E C -0.765 175.850 176.600 0.026 0.000 1.035 331 E CA -0.106 56.309 56.400 0.026 0.000 0.873 331 E CB 1.025 30.740 29.700 0.025 0.000 1.029 331 E HN 0.261 nan 8.360 nan 0.000 0.419 332 S N 2.152 117.869 115.700 0.030 0.000 2.565 332 S HA 0.040 4.510 4.470 -0.000 0.000 0.274 332 S C 1.032 175.648 174.600 0.026 0.000 1.309 332 S CA -0.130 58.087 58.200 0.028 0.000 1.043 332 S CB 0.985 64.205 63.200 0.033 0.000 0.939 332 S HN 0.557 nan 8.310 nan 0.000 0.504 333 S N 4.276 119.990 115.700 0.022 0.000 2.603 333 S HA 0.191 4.661 4.470 -0.000 0.000 0.220 333 S C 0.678 175.290 174.600 0.020 0.000 0.967 333 S CA -0.347 57.864 58.200 0.019 0.000 0.920 333 S CB -0.173 63.036 63.200 0.016 0.000 0.773 333 S HN 0.709 nan 8.310 nan 0.000 0.529 334 R N 0.945 121.459 120.500 0.024 0.000 2.827 334 R HA 0.231 4.570 4.340 -0.000 0.000 0.269 334 R C -0.026 176.289 176.300 0.026 0.000 1.048 334 R CA -0.207 55.909 56.100 0.025 0.000 1.173 334 R CB 0.172 30.491 30.300 0.032 0.000 1.070 334 R HN 0.250 nan 8.270 nan 0.000 0.498 335 Q N 1.425 121.239 119.800 0.023 0.000 2.286 335 Q HA 0.137 4.477 4.340 -0.000 0.000 0.257 335 Q C -0.944 175.072 176.000 0.026 0.000 0.941 335 Q CA -0.252 55.564 55.803 0.021 0.000 0.912 335 Q CB 0.911 29.658 28.738 0.015 0.000 1.192 335 Q HN 0.322 nan 8.270 nan 0.000 0.410 336 L N 6.362 127.601 121.223 0.027 0.000 2.490 336 L HA 0.258 4.598 4.340 -0.000 0.000 0.274 336 L C -2.083 174.802 176.870 0.026 0.000 1.201 336 L CA -0.949 53.912 54.840 0.036 0.000 0.869 336 L CB 0.165 42.245 42.059 0.034 0.000 1.123 336 L HN 0.614 nan 8.230 nan 0.000 0.484 337 P HA 0.020 nan 4.420 nan 0.000 0.264 337 P C -0.894 176.408 177.300 0.004 0.000 1.179 337 P CA 0.115 63.222 63.100 0.013 0.000 0.763 337 P CB 0.148 31.849 31.700 0.001 0.000 0.806 338 T N 2.219 116.770 114.554 -0.005 0.000 2.851 338 T HA 0.360 4.710 4.350 -0.000 0.000 0.298 338 T C 0.549 175.243 174.700 -0.010 0.000 0.977 338 T CA -0.269 61.826 62.100 -0.009 0.000 1.126 338 T CB 0.387 69.251 68.868 -0.007 0.000 0.916 338 T HN 0.483 nan 8.240 nan 0.000 0.529 339 A N 2.824 125.639 122.820 -0.009 0.000 2.561 339 A HA 0.494 4.814 4.320 -0.000 0.000 0.234 339 A C 0.931 178.518 177.584 0.005 0.000 1.055 339 A CA -0.343 51.697 52.037 0.005 0.000 0.756 339 A CB -0.287 18.713 19.000 -0.001 0.000 0.986 339 A HN 1.117 nan 8.150 nan 0.000 0.505 340 A N 3.713 126.541 122.820 0.014 0.000 2.483 340 A HA 0.515 4.835 4.320 -0.000 0.000 0.238 340 A C -1.779 175.814 177.584 0.016 0.000 1.070 340 A CA -0.815 51.225 52.037 0.005 0.000 0.770 340 A CB -0.800 18.203 19.000 0.005 0.000 1.008 340 A HN 0.736 nan 8.150 nan 0.000 0.497 341 P HA 0.292 nan 4.420 nan 0.000 0.272 341 P C -0.270 177.041 177.300 0.018 0.000 1.223 341 P CA -0.310 62.797 63.100 0.011 0.000 0.784 341 P CB 0.404 32.108 31.700 0.007 0.000 0.923 342 E N 2.333 122.543 120.200 0.016 0.000 2.413 342 E HA 0.111 4.461 4.350 -0.000 0.000 0.263 342 E C -1.774 174.838 176.600 0.020 0.000 1.015 342 E CA -1.044 55.368 56.400 0.019 0.000 0.916 342 E CB -0.423 29.286 29.700 0.014 0.000 0.947 342 E HN 0.346 nan 8.360 nan 0.000 0.440 343 P HA 0.084 nan 4.420 nan 0.000 0.268 343 P C -1.262 176.050 177.300 0.020 0.000 1.205 343 P CA -0.298 62.817 63.100 0.025 0.000 0.771 343 P CB 0.943 32.664 31.700 0.035 0.000 0.858 344 A N 3.327 126.156 122.820 0.015 0.000 2.454 344 A HA 0.118 4.438 4.320 -0.000 0.000 0.260 344 A C 0.636 178.225 177.584 0.008 0.000 1.106 344 A CA -0.372 51.670 52.037 0.008 0.000 0.780 344 A CB -0.252 18.750 19.000 0.003 0.000 1.044 344 A HN 0.589 nan 8.150 nan 0.000 0.498 345 K N 2.080 122.484 120.400 0.007 0.000 2.489 345 K HA 0.256 4.576 4.320 -0.000 0.000 0.278 345 K C 0.151 176.745 176.600 -0.010 0.000 1.000 345 K CA -0.021 56.269 56.287 0.006 0.000 1.012 345 K CB 0.293 32.798 32.500 0.008 0.000 0.903 345 K HN 0.727 nan 8.250 nan 0.000 0.485 346 V N 1.005 120.906 119.914 -0.021 0.000 2.716 346 V HA 0.293 4.413 4.120 -0.000 0.000 0.304 346 V C -0.518 175.538 176.094 -0.064 0.000 1.053 346 V CA -0.939 61.322 62.300 -0.065 0.000 0.984 346 V CB 1.487 33.235 31.823 -0.124 0.000 1.021 346 V HN 0.718 nan 8.190 nan 0.000 0.467 347 D N 2.734 123.078 120.400 -0.093 0.000 2.417 347 D HA 0.387 5.027 4.640 -0.000 0.000 0.250 347 D C -0.206 176.088 176.300 -0.009 0.000 1.166 347 D CA 0.858 54.830 54.000 -0.047 0.000 0.881 347 D CB 1.007 41.782 40.800 -0.042 0.000 1.164 347 D HN 0.778 nan 8.370 nan 0.000 0.467 348 Q N 2.316 122.154 119.800 0.063 0.000 2.294 348 Q HA 0.225 4.565 4.340 -0.000 0.000 0.264 348 Q C -1.155 174.900 176.000 0.092 0.000 0.992 348 Q CA -0.832 55.056 55.803 0.142 0.000 0.747 348 Q CB 1.011 29.819 28.738 0.116 0.000 1.262 348 Q HN 0.393 nan 8.270 nan 0.000 0.452 349 D N 2.146 122.605 120.400 0.098 0.000 2.325 349 D HA 0.220 4.860 4.640 -0.000 0.000 0.262 349 D C 0.186 176.507 176.300 0.035 0.000 1.263 349 D CA 0.119 54.152 54.000 0.055 0.000 1.020 349 D CB 0.404 41.234 40.800 0.051 0.000 1.117 349 D HN 0.462 nan 8.370 nan 0.000 0.545 350 A N -1.294 121.539 122.820 0.022 0.000 2.307 350 A HA 0.471 4.791 4.320 -0.000 0.000 0.218 350 A C 1.066 178.654 177.584 0.005 0.000 1.228 350 A CA 0.579 52.624 52.037 0.014 0.000 0.857 350 A CB -0.759 18.248 19.000 0.013 0.000 0.897 350 A HN 0.573 nan 8.150 nan 0.000 0.495 351 G N -0.553 108.246 108.800 -0.001 0.000 3.271 351 G HA2 0.417 4.377 3.960 -0.000 0.000 0.174 351 G HA3 0.417 4.377 3.960 -0.000 0.000 0.174 351 G C -0.008 174.870 174.900 -0.036 0.000 1.385 351 G CA -0.909 44.182 45.100 -0.015 0.000 0.979 351 G HN 0.361 nan 8.290 nan 0.000 0.610 352 R N -0.591 119.872 120.500 -0.061 0.000 2.679 352 R HA 0.228 4.568 4.340 -0.000 0.000 0.268 352 R C -0.563 175.643 176.300 -0.158 0.000 1.044 352 R CA -0.064 55.981 56.100 -0.093 0.000 1.105 352 R CB 0.312 30.555 30.300 -0.095 0.000 0.989 352 R HN 0.173 nan 8.270 nan 0.000 0.447 353 L N 3.442 124.584 121.223 -0.136 0.000 2.305 353 L HA 0.173 4.513 4.340 -0.000 0.000 0.281 353 L C 0.471 177.226 176.870 -0.192 0.000 1.085 353 L CA -0.232 54.532 54.840 -0.128 0.000 0.813 353 L CB 0.680 42.692 42.059 -0.079 0.000 1.157 353 L HN 0.387 nan 8.230 nan 0.000 0.436 354 H N 3.899 122.944 119.070 -0.041 0.000 2.683 354 H HA 0.087 4.643 4.556 -0.000 0.000 0.339 354 H C -1.568 173.698 175.328 -0.104 0.000 1.081 354 H CA -1.582 54.440 56.048 -0.043 0.000 1.432 354 H CB 1.178 30.928 29.762 -0.019 0.000 1.462 354 H HN 0.391 nan 8.280 nan 0.000 0.557 355 P HA -0.203 nan 4.420 nan 0.000 0.218 355 P C 1.054 178.178 177.300 -0.293 0.000 1.152 355 P CA 1.490 64.450 63.100 -0.234 0.000 0.857 355 P CB 0.403 32.068 31.700 -0.059 0.000 0.787 356 E N -1.373 118.824 120.200 -0.005 0.000 2.110 356 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 356 E C 1.930 178.545 176.600 0.025 0.000 0.988 356 E CA 1.659 58.103 56.400 0.075 0.000 0.804 356 E CB -1.171 28.575 29.700 0.076 0.000 0.745 356 E HN 0.284 nan 8.360 nan 0.000 0.458 357 T N 0.109 114.664 114.554 0.002 0.000 2.777 357 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 357 T C 2.029 176.696 174.700 -0.055 0.000 1.040 357 T CA 1.144 63.243 62.100 -0.001 0.000 1.141 357 T CB -0.278 68.606 68.868 0.028 0.000 0.868 357 T HN -0.017 nan 8.240 nan 0.000 0.444 358 V N 1.099 120.906 119.914 -0.177 0.000 2.287 358 V HA -0.142 3.978 4.120 -0.000 0.000 0.248 358 V C 2.196 178.202 176.094 -0.146 0.000 1.053 358 V CA 1.669 63.829 62.300 -0.233 0.000 1.027 358 V CB -0.863 30.703 31.823 -0.429 0.000 0.646 358 V HN 0.364 nan 8.190 nan 0.000 0.447 359 F N 0.491 120.438 119.950 -0.004 0.000 2.234 359 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 359 F C 2.238 178.012 175.800 -0.043 0.000 1.087 359 F CA 0.938 58.908 58.000 -0.050 0.000 1.340 359 F CB -0.970 37.986 39.000 -0.074 0.000 1.031 359 F HN 0.200 nan 8.300 nan 0.000 0.500 360 D N -0.359 120.123 120.400 0.137 0.000 2.117 360 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 360 D C 2.286 178.623 176.300 0.062 0.000 0.987 360 D CA 1.752 55.800 54.000 0.079 0.000 0.829 360 D CB -0.628 40.206 40.800 0.057 0.000 0.961 360 D HN 0.176 nan 8.370 nan 0.000 0.460 361 T N 0.978 115.563 114.554 0.051 0.000 2.737 361 T HA -0.046 4.304 4.350 -0.000 0.000 0.265 361 T C 2.257 176.999 174.700 0.070 0.000 1.038 361 T CA 0.484 62.611 62.100 0.047 0.000 1.144 361 T CB -0.314 68.571 68.868 0.028 0.000 0.866 361 T HN 0.093 nan 8.240 nan 0.000 0.434 362 L N 1.234 122.516 121.223 0.099 0.000 2.012 362 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 362 L C 2.633 179.598 176.870 0.158 0.000 1.073 362 L CA 1.380 56.314 54.840 0.157 0.000 0.748 362 L CB -0.610 41.585 42.059 0.226 0.000 0.891 362 L HN 0.254 nan 8.230 nan 0.000 0.431 363 N N -0.184 118.582 118.700 0.110 0.000 2.166 363 N HA -0.200 4.540 4.740 -0.000 0.000 0.186 363 N C 1.425 176.978 175.510 0.071 0.000 1.019 363 N CA 1.504 54.604 53.050 0.083 0.000 0.856 363 N CB -0.006 38.502 38.487 0.034 0.000 0.993 363 N HN 0.250 nan 8.380 nan 0.000 0.426 364 D N -0.661 119.775 120.400 0.060 0.000 2.162 364 D HA -0.026 4.614 4.640 -0.000 0.000 0.203 364 D C 1.678 178.003 176.300 0.043 0.000 0.967 364 D CA 0.955 54.981 54.000 0.043 0.000 0.840 364 D CB -0.060 40.761 40.800 0.035 0.000 0.972 364 D HN 0.431 nan 8.370 nan 0.000 0.482 365 M N 0.201 119.832 119.600 0.053 0.000 2.501 365 M HA 0.199 4.679 4.480 -0.000 0.000 0.261 365 M C 0.861 177.187 176.300 0.044 0.000 1.129 365 M CA -0.030 55.296 55.300 0.043 0.000 1.126 365 M CB 0.511 33.136 32.600 0.042 0.000 1.359 365 M HN -0.182 nan 8.290 nan 0.000 0.471 366 A N 2.438 125.300 122.820 0.071 0.000 2.371 366 A HA 0.437 4.757 4.320 -0.000 0.000 0.257 366 A C -2.142 175.456 177.584 0.022 0.000 1.089 366 A CA -1.221 50.848 52.037 0.053 0.000 0.794 366 A CB -0.577 18.497 19.000 0.124 0.000 1.029 366 A HN 0.098 nan 8.150 nan 0.000 0.488 367 P HA 0.115 nan 4.420 nan 0.000 0.272 367 P C 0.042 177.325 177.300 -0.028 0.000 1.223 367 P CA -0.071 63.014 63.100 -0.026 0.000 0.784 367 P CB 0.564 32.237 31.700 -0.045 0.000 0.923 368 E N 1.044 121.232 120.200 -0.020 0.000 2.409 368 E HA -0.137 4.213 4.350 -0.000 0.000 0.198 368 E C 0.760 177.339 176.600 -0.037 0.000 1.024 368 E CA 0.709 57.098 56.400 -0.017 0.000 0.861 368 E CB -0.222 29.467 29.700 -0.018 0.000 0.788 368 E HN 0.503 nan 8.360 nan 0.000 0.521 369 N N 0.497 119.164 118.700 -0.054 0.000 2.321 369 N HA 0.118 4.858 4.740 -0.000 0.000 0.242 369 N C -0.340 175.103 175.510 -0.111 0.000 1.141 369 N CA -0.170 52.839 53.050 -0.068 0.000 0.864 369 N CB 0.241 38.695 38.487 -0.055 0.000 1.100 369 N HN -0.074 nan 8.380 nan 0.000 0.510 370 A N 0.630 123.351 122.820 -0.165 0.000 2.386 370 A HA 0.538 4.858 4.320 -0.000 0.000 0.248 370 A C 0.026 177.386 177.584 -0.374 0.000 1.082 370 A CA -0.325 51.522 52.037 -0.317 0.000 0.789 370 A CB 0.229 18.935 19.000 -0.491 0.000 1.025 370 A HN 0.401 nan 8.150 nan 0.000 0.490 371 I N 1.164 121.505 120.570 -0.383 0.000 2.389 371 I HA 0.300 4.470 4.170 -0.000 0.000 0.288 371 I C -1.320 174.614 176.117 -0.305 0.000 0.999 371 I CA -0.269 60.890 61.300 -0.235 0.000 1.129 371 I CB 1.278 39.249 38.000 -0.049 0.000 1.288 371 I HN 0.583 nan 8.210 nan 0.000 0.444 372 Y N 6.304 126.608 120.300 0.007 0.000 2.342 372 Y HA 0.573 5.123 4.550 -0.000 0.000 0.334 372 Y C -0.393 175.511 175.900 0.007 0.000 1.067 372 Y CA -0.724 57.388 58.100 0.020 0.000 1.128 372 Y CB 1.393 39.871 38.460 0.031 0.000 1.200 372 Y HN 0.332 nan 8.280 nan 0.000 0.464 373 L N 3.353 124.678 121.223 0.171 0.000 2.346 373 L HA 0.422 4.762 4.340 -0.000 0.000 0.276 373 L C -0.510 176.443 176.870 0.139 0.000 1.006 373 L CA -0.555 54.345 54.840 0.101 0.000 0.817 373 L CB 1.441 43.545 42.059 0.076 0.000 1.272 373 L HN 0.554 nan 8.230 nan 0.000 0.421 374 N N 1.970 120.743 118.700 0.123 0.000 2.476 374 N HA 0.273 5.013 4.740 -0.000 0.000 0.257 374 N C -0.597 175.136 175.510 0.372 0.000 0.970 374 N CA -0.144 53.079 53.050 0.289 0.000 0.938 374 N CB 1.070 39.796 38.487 0.399 0.000 1.144 374 N HN 0.659 nan 8.380 nan 0.000 0.500 375 E N 1.583 121.960 120.200 0.294 0.000 3.428 375 E HA 0.142 4.492 4.350 -0.000 0.000 0.191 375 E C -1.155 175.602 176.600 0.262 0.000 0.980 375 E CA -0.089 56.464 56.400 0.256 0.000 1.305 375 E CB 0.282 30.075 29.700 0.155 0.000 1.105 375 E HN 0.342 nan 8.360 nan 0.000 0.455 376 S N 0.334 116.217 115.700 0.306 0.000 2.567 376 S HA 0.083 4.553 4.470 -0.000 0.000 0.262 376 S C 1.199 175.974 174.600 0.292 0.000 1.237 376 S CA -0.302 58.065 58.200 0.277 0.000 1.093 376 S CB 0.284 63.660 63.200 0.293 0.000 1.095 376 S HN 0.392 nan 8.310 nan 0.000 0.489 377 T N 0.475 115.200 114.554 0.285 0.000 3.035 377 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 377 T C 1.693 176.507 174.700 0.189 0.000 1.109 377 T CA 1.112 63.391 62.100 0.299 0.000 1.119 377 T CB -0.288 68.765 68.868 0.309 0.000 0.900 377 T HN 0.625 nan 8.240 nan 0.000 0.503 378 S N 1.242 117.038 115.700 0.160 0.000 2.556 378 S HA 0.071 4.541 4.470 -0.000 0.000 0.216 378 S C 1.636 176.273 174.600 0.061 0.000 0.970 378 S CA 0.264 58.504 58.200 0.066 0.000 0.912 378 S CB -0.451 62.811 63.200 0.104 0.000 0.790 378 S HN 0.666 nan 8.310 nan 0.000 0.504 379 T N -2.963 111.681 114.554 0.152 0.000 3.132 379 T HA 0.232 4.582 4.350 -0.000 0.000 0.274 379 T C 1.192 176.009 174.700 0.195 0.000 1.011 379 T CA 0.156 62.398 62.100 0.237 0.000 0.899 379 T CB -0.130 68.980 68.868 0.404 0.000 1.089 379 T HN 0.151 nan 8.240 nan 0.000 0.543 380 T N 2.128 116.744 114.554 0.102 0.000 2.746 380 T HA 0.044 4.394 4.350 -0.000 0.000 0.267 380 T C 2.358 177.106 174.700 0.080 0.000 1.039 380 T CA 1.475 63.621 62.100 0.077 0.000 1.142 380 T CB -0.572 68.309 68.868 0.021 0.000 0.866 380 T HN 0.628 nan 8.240 nan 0.000 0.444 381 A N 1.047 123.875 122.820 0.014 0.000 1.930 381 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 381 A C 2.257 179.864 177.584 0.038 0.000 1.175 381 A CA 1.389 53.428 52.037 0.004 0.000 0.627 381 A CB -0.524 18.438 19.000 -0.064 0.000 0.815 381 A HN 0.461 nan 8.150 nan 0.000 0.443 382 Q N -1.153 118.674 119.800 0.044 0.000 2.079 382 Q HA -0.044 4.296 4.340 -0.000 0.000 0.200 382 Q C 2.124 178.055 176.000 -0.115 0.000 0.974 382 Q CA 1.609 57.456 55.803 0.074 0.000 0.840 382 Q CB -0.355 28.533 28.738 0.251 0.000 0.898 382 Q HN 0.759 nan 8.270 nan 0.000 0.430 383 M N -1.074 118.234 119.600 -0.487 0.000 2.149 383 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 383 M C 1.044 176.978 176.300 -0.611 0.000 1.064 383 M CA 1.651 56.284 55.300 -1.112 0.000 1.102 383 M CB -0.050 31.862 32.600 -1.146 0.000 1.369 383 M HN 0.279 nan 8.290 nan 0.000 0.408 384 W N 0.561 121.631 121.300 -0.384 0.000 2.436 384 W HA -0.110 4.550 4.660 0.000 0.000 0.284 384 W C 2.406 178.839 176.519 -0.144 0.000 1.225 384 W CA 1.171 58.351 57.345 -0.275 0.000 1.271 384 W CB -0.198 29.134 29.460 -0.213 0.000 1.114 384 W HN 0.312 nan 8.180 nan 0.000 0.559 385 Q N -0.497 119.359 119.800 0.094 0.000 2.172 385 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 385 Q C 1.913 177.922 176.000 0.015 0.000 0.964 385 Q CA 1.113 56.961 55.803 0.075 0.000 0.855 385 Q CB -0.099 28.675 28.738 0.059 0.000 0.918 385 Q HN 0.285 nan 8.270 nan 0.000 0.444 386 R N -0.733 119.733 120.500 -0.057 0.000 2.335 386 R HA 0.248 4.588 4.340 -0.000 0.000 0.210 386 R C -0.094 176.143 176.300 -0.106 0.000 0.892 386 R CA -0.074 56.004 56.100 -0.036 0.000 1.048 386 R CB 0.716 31.055 30.300 0.063 0.000 1.067 386 R HN 0.078 nan 8.270 nan 0.000 0.524 387 L N 1.478 122.550 121.223 -0.250 0.000 2.282 387 L HA 0.284 4.624 4.340 -0.000 0.000 0.288 387 L C -0.376 176.363 176.870 -0.218 0.000 1.033 387 L CA -0.488 54.160 54.840 -0.320 0.000 0.807 387 L CB 1.547 43.201 42.059 -0.675 0.000 1.209 387 L HN 0.094 nan 8.230 nan 0.000 0.423 388 N N 4.575 123.207 118.700 -0.113 0.000 2.420 388 N HA 0.397 5.137 4.740 -0.000 0.000 0.249 388 N C -0.970 174.501 175.510 -0.065 0.000 1.033 388 N CA -0.464 52.534 53.050 -0.086 0.000 0.944 388 N CB 0.633 39.095 38.487 -0.041 0.000 1.113 388 N HN 0.540 nan 8.380 nan 0.000 0.502 389 M N 3.583 123.104 119.600 -0.131 0.000 2.018 389 M HA 0.268 4.748 4.480 -0.000 0.000 0.311 389 M C 0.606 176.822 176.300 -0.141 0.000 0.928 389 M CA -0.462 54.773 55.300 -0.108 0.000 0.911 389 M CB 1.788 34.293 32.600 -0.160 0.000 1.447 389 M HN 0.482 nan 8.290 nan 0.000 0.407 390 R N 0.279 120.719 120.500 -0.100 0.000 2.173 390 R HA 0.163 4.503 4.340 -0.000 0.000 0.208 390 R C 0.310 176.542 176.300 -0.113 0.000 1.035 390 R CA 0.609 56.643 56.100 -0.109 0.000 1.004 390 R CB 0.245 30.500 30.300 -0.076 0.000 0.917 390 R HN 0.592 nan 8.270 nan 0.000 0.462 391 N N 1.389 120.035 118.700 -0.090 0.000 2.466 391 N HA 0.277 5.017 4.740 -0.000 0.000 0.294 391 N C -2.608 172.857 175.510 -0.074 0.000 1.129 391 N CA -1.673 51.331 53.050 -0.077 0.000 0.931 391 N CB 1.078 39.529 38.487 -0.058 0.000 1.193 391 N HN -0.202 nan 8.380 nan 0.000 0.500 392 P HA 0.075 nan 4.420 nan 0.000 0.271 392 P C 0.572 177.854 177.300 -0.030 0.000 1.233 392 P CA 0.308 63.386 63.100 -0.037 0.000 0.789 392 P CB 0.281 31.970 31.700 -0.019 0.000 0.951 393 G N 0.543 109.326 108.800 -0.029 0.000 2.249 393 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.273 393 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.273 393 G C 0.654 175.506 174.900 -0.079 0.000 1.036 393 G CA 0.497 45.586 45.100 -0.019 0.000 0.824 393 G HN 0.453 nan 8.290 nan 0.000 0.504 394 S N -1.580 114.039 115.700 -0.135 0.000 2.540 394 S HA 0.379 4.849 4.470 -0.000 0.000 0.218 394 S C -0.029 174.541 174.600 -0.049 0.000 0.977 394 S CA 0.276 58.427 58.200 -0.081 0.000 0.918 394 S CB 0.540 63.711 63.200 -0.047 0.000 0.806 394 S HN 0.756 nan 8.310 nan 0.000 0.496 395 Y N 0.823 120.860 120.300 -0.438 0.000 2.441 395 Y HA 0.545 5.095 4.550 -0.000 0.000 0.334 395 Y C -2.185 173.345 175.900 -0.617 0.000 1.061 395 Y CA -1.456 56.423 58.100 -0.368 0.000 1.032 395 Y CB 0.975 39.232 38.460 -0.337 0.000 1.266 395 Y HN 0.034 nan 8.280 nan 0.000 0.441 396 Y N 6.434 126.473 120.300 -0.435 0.000 2.457 396 Y HA 0.586 5.136 4.550 -0.000 0.000 0.343 396 Y C -1.409 174.353 175.900 -0.230 0.000 0.994 396 Y CA -1.294 56.697 58.100 -0.181 0.000 1.031 396 Y CB 2.054 40.594 38.460 0.133 0.000 1.246 396 Y HN 0.581 nan 8.280 nan 0.000 0.449 397 F N 2.784 122.694 119.950 -0.065 0.000 2.569 397 F HA 0.564 5.091 4.527 -0.000 0.000 0.312 397 F C -0.304 175.373 175.800 -0.205 0.000 1.109 397 F CA -1.795 56.193 58.000 -0.019 0.000 0.919 397 F CB 0.984 40.026 39.000 0.070 0.000 1.211 397 F HN 0.742 nan 8.300 nan 0.000 0.446 398 C N 4.290 122.950 119.300 -1.068 0.000 2.531 398 C HA 0.434 4.894 4.460 -0.000 0.000 0.401 398 C C 1.513 176.088 174.990 -0.691 0.000 1.473 398 C CA 0.003 58.324 59.018 -1.162 0.000 1.472 398 C CB -1.211 26.046 27.740 -0.805 0.000 2.429 398 C HN 1.001 nan 8.230 nan 0.000 0.620 399 A N 3.313 125.823 122.820 -0.516 0.000 2.014 399 A HA 0.315 4.635 4.320 -0.000 0.000 0.218 399 A C 2.178 179.684 177.584 -0.131 0.000 1.163 399 A CA 1.406 53.325 52.037 -0.197 0.000 0.652 399 A CB -0.359 18.526 19.000 -0.192 0.000 0.808 399 A HN 1.599 nan 8.150 nan 0.000 0.449 400 A N -1.825 120.888 122.820 -0.179 0.000 2.423 400 A HA 0.467 4.787 4.320 -0.000 0.000 0.246 400 A C 1.538 179.039 177.584 -0.138 0.000 1.278 400 A CA 0.893 52.865 52.037 -0.109 0.000 0.903 400 A CB -0.815 18.145 19.000 -0.066 0.000 0.997 400 A HN 1.746 nan 8.150 nan 0.000 0.510 401 G N -1.009 107.676 108.800 -0.193 0.000 2.153 401 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.252 401 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.252 401 G C 0.635 175.407 174.900 -0.213 0.000 0.994 401 G CA 0.233 45.222 45.100 -0.186 0.000 0.698 401 G HN 1.459 nan 8.290 nan 0.000 0.521 402 G N 0.125 108.782 108.800 -0.239 0.000 2.356 402 G HA2 0.590 4.550 3.960 -0.000 0.000 0.300 402 G HA3 0.590 4.550 3.960 -0.000 0.000 0.300 402 G C 0.496 175.240 174.900 -0.261 0.000 1.107 402 G CA -0.645 44.324 45.100 -0.219 0.000 0.960 402 G HN 0.569 nan 8.290 nan 0.000 0.418 403 L N 1.726 122.708 121.223 -0.401 0.000 2.467 403 L HA 0.426 4.766 4.340 -0.000 0.000 0.270 403 L C 1.510 178.145 176.870 -0.392 0.000 1.205 403 L CA 0.758 55.308 54.840 -0.482 0.000 0.828 403 L CB 0.885 42.453 42.059 -0.817 0.000 1.101 403 L HN 0.822 nan 8.230 nan 0.000 0.479 404 G N 1.408 110.148 108.800 -0.100 0.000 2.144 404 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 404 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 404 G C 0.154 175.107 174.900 0.089 0.000 0.988 404 G CA 0.349 45.503 45.100 0.089 0.000 0.659 404 G HN 0.669 nan 8.290 nan 0.000 0.522 405 F N 1.252 121.153 119.950 -0.083 0.000 2.243 405 F HA 0.532 5.059 4.527 0.000 0.000 0.287 405 F C 2.446 178.220 175.800 -0.044 0.000 1.067 405 F CA 1.815 59.764 58.000 -0.085 0.000 1.304 405 F CB -0.464 38.446 39.000 -0.150 0.000 1.087 405 F HN 0.225 nan 8.300 nan 0.000 0.513 406 A N 1.295 124.032 122.820 -0.139 0.000 1.902 406 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 406 A C 2.296 179.793 177.584 -0.145 0.000 1.181 406 A CA 1.831 53.734 52.037 -0.224 0.000 0.623 406 A CB -1.340 17.701 19.000 0.069 0.000 0.818 406 A HN 0.606 nan 8.150 nan 0.000 0.443 407 L N 0.214 121.437 121.223 -0.000 0.000 1.955 407 L HA -0.095 4.245 4.340 -0.000 0.000 0.213 407 L C -0.407 176.517 176.870 0.089 0.000 1.072 407 L CA 2.119 57.036 54.840 0.130 0.000 0.755 407 L CB -0.840 41.256 42.059 0.061 0.000 0.888 407 L HN 0.252 nan 8.230 nan 0.000 0.432 408 P HA -0.170 nan 4.420 nan 0.000 0.217 408 P C 1.295 178.494 177.300 -0.169 0.000 1.150 408 P CA 2.058 65.120 63.100 -0.063 0.000 0.832 408 P CB -0.159 31.492 31.700 -0.081 0.000 0.787 409 A N 0.628 123.210 122.820 -0.396 0.000 1.978 409 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 409 A C 2.485 179.859 177.584 -0.351 0.000 1.170 409 A CA 2.116 53.813 52.037 -0.566 0.000 0.636 409 A CB -1.507 16.680 19.000 -1.354 0.000 0.810 409 A HN 0.243 nan 8.150 nan 0.000 0.448 410 A N -0.094 122.593 122.820 -0.222 0.000 1.972 410 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 410 A C 2.072 179.600 177.584 -0.095 0.000 1.169 410 A CA 1.445 53.401 52.037 -0.135 0.000 0.635 410 A CB -0.536 18.404 19.000 -0.099 0.000 0.810 410 A HN 0.519 nan 8.150 nan 0.000 0.446 411 I N -0.520 120.044 120.570 -0.011 0.000 2.252 411 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 411 I C 2.681 178.809 176.117 0.017 0.000 1.102 411 I CA 1.048 62.370 61.300 0.038 0.000 1.385 411 I CB -0.606 37.461 38.000 0.113 0.000 1.064 411 I HN 0.383 nan 8.210 nan 0.000 0.414 412 G N 0.625 109.407 108.800 -0.029 0.000 2.402 412 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 412 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 412 G C 1.716 176.653 174.900 0.062 0.000 1.162 412 G CA 0.742 45.858 45.100 0.026 0.000 0.777 412 G HN 0.224 nan 8.290 nan 0.000 0.539 413 V N 0.564 120.429 119.914 -0.082 0.000 2.343 413 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 413 V C 2.757 178.831 176.094 -0.032 0.000 1.051 413 V CA 2.250 64.489 62.300 -0.102 0.000 1.036 413 V CB -0.431 31.300 31.823 -0.152 0.000 0.654 413 V HN 0.426 nan 8.190 nan 0.000 0.451 414 Q N -0.276 119.508 119.800 -0.026 0.000 2.119 414 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 414 Q C 1.942 177.962 176.000 0.033 0.000 0.972 414 Q CA 1.611 57.403 55.803 -0.019 0.000 0.847 414 Q CB -0.442 28.266 28.738 -0.050 0.000 0.903 414 Q HN 0.530 nan 8.270 nan 0.000 0.433 415 L N -0.140 121.140 121.223 0.095 0.000 2.046 415 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 415 L C 2.044 179.052 176.870 0.231 0.000 1.077 415 L CA 2.092 57.039 54.840 0.178 0.000 0.747 415 L CB -0.848 41.357 42.059 0.243 0.000 0.896 415 L HN 0.271 nan 8.230 nan 0.000 0.432 416 A N -1.715 121.203 122.820 0.163 0.000 1.968 416 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 416 A C 1.071 178.615 177.584 -0.068 0.000 1.169 416 A CA 1.004 52.971 52.037 -0.116 0.000 0.638 416 A CB -0.186 18.567 19.000 -0.412 0.000 0.812 416 A HN 0.415 nan 8.150 nan 0.000 0.446 417 E N -0.444 119.739 120.200 -0.028 0.000 3.037 417 E HA 0.181 4.531 4.350 -0.000 0.000 0.220 417 E C -2.213 174.379 176.600 -0.015 0.000 1.142 417 E CA -1.660 54.724 56.400 -0.026 0.000 0.888 417 E CB 1.089 30.772 29.700 -0.028 0.000 1.329 417 E HN 0.341 nan 8.360 nan 0.000 0.409 418 P HA -0.090 nan 4.420 nan 0.000 0.223 418 P C 0.676 177.967 177.300 -0.015 0.000 1.151 418 P CA 0.928 64.027 63.100 -0.001 0.000 0.787 418 P CB 0.597 32.304 31.700 0.012 0.000 0.788 419 E N -0.400 119.789 120.200 -0.019 0.000 2.479 419 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 419 E C 0.506 177.085 176.600 -0.035 0.000 1.049 419 E CA 0.132 56.517 56.400 -0.024 0.000 0.870 419 E CB 0.283 29.971 29.700 -0.021 0.000 0.944 419 E HN 0.394 nan 8.360 nan 0.000 0.492 420 R N 1.123 121.597 120.500 -0.043 0.000 2.480 420 R HA 0.244 4.584 4.340 -0.000 0.000 0.306 420 R C -0.355 175.898 176.300 -0.080 0.000 0.958 420 R CA -0.806 55.258 56.100 -0.061 0.000 0.861 420 R CB 1.473 31.739 30.300 -0.057 0.000 1.171 420 R HN -0.150 nan 8.270 nan 0.000 0.445 421 Q N 2.484 122.223 119.800 -0.103 0.000 2.296 421 Q HA 0.136 4.476 4.340 -0.000 0.000 0.263 421 Q C -0.892 175.003 176.000 -0.175 0.000 1.026 421 Q CA -0.007 55.722 55.803 -0.123 0.000 0.912 421 Q CB 1.012 29.681 28.738 -0.116 0.000 1.198 421 Q HN 0.392 nan 8.270 nan 0.000 0.407 422 V N 6.975 126.791 119.914 -0.162 0.000 2.432 422 V HA 0.304 4.424 4.120 -0.000 0.000 0.271 422 V C 0.195 176.159 176.094 -0.215 0.000 1.046 422 V CA -0.235 61.956 62.300 -0.182 0.000 0.945 422 V CB 0.645 32.376 31.823 -0.154 0.000 0.992 422 V HN 0.717 nan 8.190 nan 0.000 0.471 423 I N 4.660 125.107 120.570 -0.205 0.000 2.420 423 I HA 0.540 4.710 4.170 -0.000 0.000 0.282 423 I C 0.357 176.482 176.117 0.013 0.000 1.019 423 I CA -0.456 60.779 61.300 -0.108 0.000 1.130 423 I CB 1.563 39.534 38.000 -0.049 0.000 1.262 423 I HN 0.636 nan 8.210 nan 0.000 0.454 424 A N 6.934 129.734 122.820 -0.033 0.000 2.269 424 A HA 0.596 4.916 4.320 -0.000 0.000 0.302 424 A C -0.231 177.453 177.584 0.166 0.000 1.266 424 A CA -0.364 51.718 52.037 0.076 0.000 0.894 424 A CB 0.394 19.442 19.000 0.081 0.000 1.147 424 A HN 0.474 nan 8.150 nan 0.000 0.537 425 V N 5.155 125.199 119.914 0.217 0.000 2.334 425 V HA 0.375 4.495 4.120 -0.000 0.000 0.267 425 V C -0.171 176.057 176.094 0.223 0.000 1.040 425 V CA 0.148 62.593 62.300 0.240 0.000 0.866 425 V CB -0.030 32.001 31.823 0.346 0.000 1.019 425 V HN 0.707 nan 8.190 nan 0.000 0.468 426 I N 3.479 124.152 120.570 0.172 0.000 2.582 426 I HA 0.605 4.774 4.170 -0.000 0.000 0.292 426 I C 0.869 177.041 176.117 0.092 0.000 1.066 426 I CA -0.516 60.873 61.300 0.149 0.000 1.053 426 I CB 2.101 40.181 38.000 0.135 0.000 1.241 426 I HN 0.632 nan 8.210 nan 0.000 0.421 427 G N 2.555 111.433 108.800 0.130 0.000 2.606 427 G HA2 0.089 4.049 3.960 -0.000 0.000 0.252 427 G HA3 0.089 4.049 3.960 -0.000 0.000 0.252 427 G C 0.786 175.723 174.900 0.060 0.000 1.206 427 G CA -0.245 44.923 45.100 0.113 0.000 0.861 427 G HN 0.833 nan 8.290 nan 0.000 0.561 428 D N 0.410 120.831 120.400 0.035 0.000 2.178 428 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 428 D C 2.098 178.606 176.300 0.347 0.000 0.980 428 D CA 1.302 55.339 54.000 0.061 0.000 0.842 428 D CB -0.746 40.183 40.800 0.215 0.000 0.948 428 D HN 0.455 nan 8.370 nan 0.000 0.472 429 G N 0.711 109.730 108.800 0.364 0.000 2.464 429 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.214 429 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.214 429 G C 1.870 177.114 174.900 0.574 0.000 1.218 429 G CA 1.260 46.700 45.100 0.567 0.000 0.794 429 G HN 0.350 nan 8.290 nan 0.000 0.542 430 S N 1.272 117.257 115.700 0.476 0.000 2.400 430 S HA -0.080 4.390 4.470 -0.000 0.000 0.232 430 S C 2.702 177.552 174.600 0.416 0.000 1.025 430 S CA 1.216 59.677 58.200 0.436 0.000 0.993 430 S CB -0.396 62.939 63.200 0.226 0.000 0.808 430 S HN 0.611 nan 8.310 nan 0.000 0.478 431 A N 2.072 125.070 122.820 0.296 0.000 2.024 431 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 431 A C 1.777 179.532 177.584 0.285 0.000 1.164 431 A CA 1.727 53.906 52.037 0.236 0.000 0.643 431 A CB -0.714 18.363 19.000 0.128 0.000 0.806 431 A HN 0.629 nan 8.150 nan 0.000 0.451 432 N N -1.725 117.157 118.700 0.304 0.000 2.409 432 N HA -0.048 4.692 4.740 -0.000 0.000 0.179 432 N C 1.207 176.757 175.510 0.067 0.000 1.032 432 N CA 1.020 54.164 53.050 0.157 0.000 0.898 432 N CB -0.342 38.183 38.487 0.064 0.000 0.971 432 N HN 0.620 nan 8.380 nan 0.000 0.441 433 Y N 0.523 120.896 120.300 0.122 0.000 2.181 433 Y HA -0.009 4.541 4.550 -0.000 0.000 0.288 433 Y C 1.223 177.160 175.900 0.061 0.000 1.146 433 Y CA 0.750 58.901 58.100 0.085 0.000 1.164 433 Y CB 0.092 38.597 38.460 0.074 0.000 0.982 433 Y HN -0.055 nan 8.280 nan 0.000 0.515 434 S N -0.597 115.229 115.700 0.210 0.000 2.668 434 S HA 0.144 4.614 4.470 -0.000 0.000 0.244 434 S C 1.092 175.727 174.600 0.057 0.000 1.140 434 S CA -0.293 57.971 58.200 0.107 0.000 1.134 434 S CB -0.072 63.178 63.200 0.082 0.000 0.954 434 S HN 0.215 nan 8.310 nan 0.000 0.490 435 I N 2.723 123.342 120.570 0.082 0.000 2.286 435 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 435 I C 2.340 178.453 176.117 -0.006 0.000 1.115 435 I CA 1.666 63.018 61.300 0.085 0.000 1.392 435 I CB -0.186 37.916 38.000 0.170 0.000 1.065 435 I HN 0.473 nan 8.210 nan 0.000 0.418 436 S N 0.530 116.172 115.700 -0.096 0.000 2.507 436 S HA 0.004 4.474 4.470 -0.000 0.000 0.235 436 S C 2.180 176.546 174.600 -0.390 0.000 0.988 436 S CA 0.548 58.439 58.200 -0.515 0.000 0.944 436 S CB -0.818 62.171 63.200 -0.352 0.000 0.762 436 S HN 0.462 nan 8.310 nan 0.000 0.526 437 A N 2.303 125.029 122.820 -0.158 0.000 1.986 437 A HA 0.024 4.344 4.320 -0.000 0.000 0.220 437 A C 2.174 179.730 177.584 -0.048 0.000 1.171 437 A CA 1.449 53.450 52.037 -0.059 0.000 0.640 437 A CB -0.921 18.061 19.000 -0.030 0.000 0.811 437 A HN 0.589 nan 8.150 nan 0.000 0.451 438 L N -2.651 118.485 121.223 -0.146 0.000 2.089 438 L HA -0.261 4.079 4.340 -0.000 0.000 0.213 438 L C 2.453 179.353 176.870 0.052 0.000 1.079 438 L CA 1.861 56.637 54.840 -0.106 0.000 0.758 438 L CB -0.500 41.516 42.059 -0.072 0.000 0.891 438 L HN 0.782 nan 8.230 nan 0.000 0.433 439 W N 0.798 121.967 121.300 -0.219 0.000 2.342 439 W HA -0.219 4.441 4.660 -0.000 0.000 0.297 439 W C 2.505 179.046 176.519 0.036 0.000 1.213 439 W CA 2.081 59.376 57.345 -0.083 0.000 1.251 439 W CB -0.236 29.085 29.460 -0.230 0.000 1.136 439 W HN -0.023 nan 8.180 nan 0.000 0.526 440 T N 0.446 115.136 114.554 0.226 0.000 2.746 440 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 440 T C 1.980 176.765 174.700 0.142 0.000 1.039 440 T CA 1.888 64.117 62.100 0.215 0.000 1.142 440 T CB -0.924 68.092 68.868 0.247 0.000 0.866 440 T HN 0.248 nan 8.240 nan 0.000 0.444 441 A N 1.425 124.319 122.820 0.123 0.000 1.908 441 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 441 A C 2.588 180.204 177.584 0.053 0.000 1.181 441 A CA 1.994 54.116 52.037 0.143 0.000 0.627 441 A CB -1.020 18.143 19.000 0.273 0.000 0.818 441 A HN 0.526 nan 8.150 nan 0.000 0.445 442 A N -1.587 121.204 122.820 -0.048 0.000 1.874 442 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 442 A C 2.140 179.565 177.584 -0.265 0.000 1.189 442 A CA 1.394 53.356 52.037 -0.124 0.000 0.615 442 A CB -0.414 18.510 19.000 -0.127 0.000 0.830 442 A HN 0.457 nan 8.150 nan 0.000 0.443 443 Q N -1.117 118.368 119.800 -0.524 0.000 2.079 443 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 443 Q C 1.243 176.891 176.000 -0.587 0.000 0.974 443 Q CA 1.508 56.880 55.803 -0.718 0.000 0.840 443 Q CB -0.331 27.638 28.738 -1.281 0.000 0.898 443 Q HN 0.870 nan 8.270 nan 0.000 0.430 444 Y N -0.041 120.132 120.300 -0.212 0.000 2.457 444 Y HA 0.099 4.649 4.550 -0.000 0.000 0.263 444 Y C 0.416 176.274 175.900 -0.069 0.000 1.164 444 Y CA -0.205 57.829 58.100 -0.111 0.000 1.274 444 Y CB 0.023 38.437 38.460 -0.077 0.000 1.097 444 Y HN 0.151 nan 8.280 nan 0.000 0.523 445 N N 1.186 119.896 118.700 0.017 0.000 2.714 445 N HA -0.220 4.520 4.740 -0.000 0.000 0.253 445 N C -1.196 174.343 175.510 0.047 0.000 1.024 445 N CA 0.280 53.340 53.050 0.016 0.000 0.726 445 N CB -1.277 37.206 38.487 -0.007 0.000 0.908 445 N HN 0.357 nan 8.380 nan 0.000 0.542 446 I N 0.926 121.538 120.570 0.070 0.000 2.304 446 I HA 0.258 4.428 4.170 -0.000 0.000 0.291 446 I C -1.470 174.665 176.117 0.031 0.000 1.018 446 I CA -1.930 59.405 61.300 0.058 0.000 1.260 446 I CB 1.350 39.395 38.000 0.076 0.000 1.390 446 I HN 0.069 nan 8.210 nan 0.000 0.475 447 P HA 0.068 nan 4.420 nan 0.000 0.226 447 P C -0.163 177.081 177.300 -0.092 0.000 1.758 447 P CA -0.231 62.854 63.100 -0.025 0.000 0.896 447 P CB -0.503 31.184 31.700 -0.022 0.000 1.784 448 T N 1.397 115.857 114.554 -0.158 0.000 2.930 448 T HA 0.216 4.566 4.350 -0.000 0.000 0.306 448 T C 0.791 175.201 174.700 -0.482 0.000 1.045 448 T CA 0.327 62.194 62.100 -0.389 0.000 1.134 448 T CB 0.617 69.095 68.868 -0.650 0.000 0.961 448 T HN 0.089 nan 8.240 nan 0.000 0.545 449 I N 3.130 123.437 120.570 -0.437 0.000 2.331 449 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 449 I C -0.664 175.204 176.117 -0.415 0.000 0.998 449 I CA -0.560 60.563 61.300 -0.295 0.000 1.267 449 I CB 0.711 38.641 38.000 -0.116 0.000 1.386 449 I HN 0.505 nan 8.210 nan 0.000 0.476 450 F N 6.231 126.204 119.950 0.038 0.000 2.388 450 F HA 0.401 4.928 4.527 -0.000 0.000 0.358 450 F C 0.149 175.969 175.800 0.033 0.000 1.122 450 F CA -0.947 57.077 58.000 0.039 0.000 1.056 450 F CB 1.567 40.592 39.000 0.041 0.000 1.155 450 F HN 0.113 nan 8.300 nan 0.000 0.461 451 V N 6.082 126.106 119.914 0.184 0.000 2.293 451 V HA 0.491 4.611 4.120 -0.000 0.000 0.275 451 V C -0.539 175.594 176.094 0.065 0.000 1.021 451 V CA -0.639 61.727 62.300 0.110 0.000 0.815 451 V CB 0.127 32.007 31.823 0.095 0.000 1.025 451 V HN 0.520 nan 8.190 nan 0.000 0.448 452 I N 7.826 128.387 120.570 -0.015 0.000 2.396 452 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 452 I C 0.414 176.454 176.117 -0.128 0.000 1.056 452 I CA -0.115 61.086 61.300 -0.164 0.000 1.365 452 I CB 1.246 38.957 38.000 -0.481 0.000 1.407 452 I HN 0.538 nan 8.210 nan 0.000 0.509 453 M N 5.800 125.352 119.600 -0.079 0.000 2.319 453 M HA 0.143 4.623 4.480 -0.000 0.000 0.343 453 M C 0.143 176.420 176.300 -0.038 0.000 1.364 453 M CA -0.151 55.125 55.300 -0.040 0.000 1.292 453 M CB -0.575 32.032 32.600 0.012 0.000 1.432 453 M HN 0.352 nan 8.290 nan 0.000 0.448 454 N N 3.813 122.495 118.700 -0.031 0.000 2.558 454 N HA 0.127 4.867 4.740 -0.000 0.000 0.233 454 N C 0.143 175.683 175.510 0.050 0.000 1.038 454 N CA -0.085 52.983 53.050 0.032 0.000 0.934 454 N CB 0.399 38.938 38.487 0.087 0.000 1.175 454 N HN 0.450 nan 8.380 nan 0.000 0.512 455 N N 2.273 121.013 118.700 0.066 0.000 2.203 455 N HA 0.158 4.898 4.740 -0.000 0.000 0.207 455 N C 1.032 176.583 175.510 0.067 0.000 1.130 455 N CA 0.216 53.303 53.050 0.060 0.000 0.861 455 N CB 0.037 38.563 38.487 0.066 0.000 1.005 455 N HN 0.472 nan 8.380 nan 0.000 0.507 456 G N -1.220 107.629 108.800 0.081 0.000 2.189 456 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 456 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 456 G C 0.047 174.959 174.900 0.020 0.000 0.975 456 G CA 0.909 46.044 45.100 0.057 0.000 0.644 456 G HN 0.788 nan 8.290 nan 0.000 0.537 457 T N -1.526 113.053 114.554 0.042 0.000 2.843 457 T HA 0.539 4.889 4.350 -0.000 0.000 0.302 457 T C -1.095 173.675 174.700 0.116 0.000 1.232 457 T CA -0.592 61.522 62.100 0.022 0.000 1.009 457 T CB 0.864 69.777 68.868 0.075 0.000 1.254 457 T HN 0.278 nan 8.240 nan 0.000 0.504 458 Y N 2.765 123.156 120.300 0.151 0.000 2.530 458 Y HA 0.298 4.848 4.550 -0.000 0.000 0.340 458 Y C 1.667 177.678 175.900 0.185 0.000 1.247 458 Y CA -0.481 57.725 58.100 0.178 0.000 1.727 458 Y CB -0.323 38.247 38.460 0.183 0.000 1.613 458 Y HN 0.838 nan 8.280 nan 0.000 0.464 459 G N 1.632 110.623 108.800 0.318 0.000 2.446 459 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 459 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 459 G C 1.817 176.893 174.900 0.294 0.000 1.168 459 G CA 0.952 46.207 45.100 0.257 0.000 0.771 459 G HN 0.634 nan 8.290 nan 0.000 0.551 460 A N 0.971 123.972 122.820 0.301 0.000 1.972 460 A HA 0.288 4.608 4.320 -0.000 0.000 0.219 460 A C 2.790 180.664 177.584 0.485 0.000 1.169 460 A CA 2.174 54.419 52.037 0.348 0.000 0.635 460 A CB -0.659 18.535 19.000 0.324 0.000 0.810 460 A HN 0.805 nan 8.150 nan 0.000 0.446 461 A N -0.101 122.960 122.820 0.402 0.000 1.902 461 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 461 A C 2.235 180.027 177.584 0.347 0.000 1.181 461 A CA 1.457 53.715 52.037 0.369 0.000 0.623 461 A CB -0.471 18.707 19.000 0.297 0.000 0.818 461 A HN 0.534 nan 8.150 nan 0.000 0.443 462 R N -2.262 118.425 120.500 0.311 0.000 2.105 462 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 462 R C 2.013 178.455 176.300 0.237 0.000 1.135 462 R CA 1.618 57.862 56.100 0.240 0.000 0.967 462 R CB -0.366 30.060 30.300 0.210 0.000 0.861 462 R HN 0.795 nan 8.270 nan 0.000 0.442 463 W N 0.525 121.885 121.300 0.100 0.000 2.379 463 W HA -0.151 4.509 4.660 -0.000 0.000 0.307 463 W C 1.603 178.100 176.519 -0.037 0.000 1.200 463 W CA 1.250 58.595 57.345 -0.001 0.000 1.297 463 W CB -0.401 29.015 29.460 -0.074 0.000 1.140 463 W HN -0.086 nan 8.180 nan 0.000 0.507 464 F N 0.675 120.762 119.950 0.228 0.000 2.171 464 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 464 F C 2.547 178.304 175.800 -0.072 0.000 1.090 464 F CA 1.971 59.987 58.000 0.027 0.000 1.293 464 F CB -1.305 37.789 39.000 0.157 0.000 1.013 464 F HN -0.024 nan 8.300 nan 0.000 0.486 465 A N 0.131 123.058 122.820 0.179 0.000 1.917 465 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 465 A C 2.583 180.156 177.584 -0.018 0.000 1.182 465 A CA 1.982 54.070 52.037 0.085 0.000 0.633 465 A CB -1.608 17.453 19.000 0.101 0.000 0.819 465 A HN 0.414 nan 8.150 nan 0.000 0.448 466 G N -0.431 108.304 108.800 -0.108 0.000 2.402 466 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.216 466 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.216 466 G C 1.605 176.339 174.900 -0.278 0.000 1.162 466 G CA 1.757 46.740 45.100 -0.195 0.000 0.777 466 G HN 1.091 nan 8.290 nan 0.000 0.539 467 V N -1.278 118.365 119.914 -0.451 0.000 2.809 467 V HA 0.201 4.321 4.120 -0.000 0.000 0.256 467 V C 2.219 178.213 176.094 -0.167 0.000 1.080 467 V CA 1.178 63.219 62.300 -0.432 0.000 1.102 467 V CB -0.266 31.115 31.823 -0.738 0.000 0.705 467 V HN 0.280 nan 8.190 nan 0.000 0.475 468 L N -0.067 121.115 121.223 -0.069 0.000 2.667 468 L HA 0.357 4.697 4.340 -0.000 0.000 0.232 468 L C 0.922 177.786 176.870 -0.010 0.000 1.138 468 L CA 0.181 55.023 54.840 0.003 0.000 0.921 468 L CB -0.501 41.596 42.059 0.063 0.000 1.180 468 L HN 0.395 nan 8.230 nan 0.000 0.487 469 E N 0.120 120.296 120.200 -0.040 0.000 2.360 469 E HA -0.227 4.123 4.350 -0.000 0.000 0.238 469 E C 0.254 176.850 176.600 -0.006 0.000 1.186 469 E CA 0.300 56.683 56.400 -0.029 0.000 0.719 469 E CB -0.968 28.716 29.700 -0.026 0.000 1.236 469 E HN 0.476 nan 8.360 nan 0.000 0.386 470 A N 1.729 124.552 122.820 0.006 0.000 2.316 470 A HA 0.360 4.680 4.320 -0.000 0.000 0.311 470 A C 0.223 177.821 177.584 0.024 0.000 1.339 470 A CA -0.309 51.741 52.037 0.022 0.000 0.960 470 A CB 0.438 19.462 19.000 0.040 0.000 1.152 470 A HN 0.234 nan 8.150 nan 0.000 0.547 471 E N 1.739 121.951 120.200 0.020 0.000 2.250 471 E HA 0.292 4.642 4.350 -0.000 0.000 0.265 471 E C -0.196 176.420 176.600 0.027 0.000 1.033 471 E CA -0.981 55.432 56.400 0.022 0.000 0.888 471 E CB 0.564 30.272 29.700 0.014 0.000 1.151 471 E HN 0.662 nan 8.360 nan 0.000 0.412 472 N N -0.316 118.402 118.700 0.030 0.000 2.735 472 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 472 N C -1.026 174.507 175.510 0.038 0.000 1.083 472 N CA 0.435 53.504 53.050 0.031 0.000 0.703 472 N CB -1.280 37.222 38.487 0.024 0.000 1.005 472 N HN 0.130 nan 8.380 nan 0.000 0.550 473 V N 1.846 121.789 119.914 0.049 0.000 2.455 473 V HA 0.276 4.395 4.120 -0.000 0.000 0.273 473 V C -0.882 175.252 176.094 0.068 0.000 1.045 473 V CA -0.875 61.462 62.300 0.061 0.000 0.976 473 V CB 1.043 32.912 31.823 0.076 0.000 0.993 473 V HN 0.123 nan 8.190 nan 0.000 0.475 474 P HA 0.385 nan 4.420 nan 0.000 0.278 474 P C 0.656 178.012 177.300 0.092 0.000 1.266 474 P CA 0.217 63.356 63.100 0.066 0.000 0.807 474 P CB 0.937 32.669 31.700 0.052 0.000 1.094 475 G N 0.012 108.862 108.800 0.084 0.000 2.198 475 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 475 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 475 G C 0.477 175.483 174.900 0.176 0.000 1.025 475 G CA 0.361 45.527 45.100 0.110 0.000 0.769 475 G HN 0.490 nan 8.290 nan 0.000 0.507 476 L N -0.746 120.566 121.223 0.149 0.000 2.592 476 L HA 0.279 4.619 4.340 -0.000 0.000 0.227 476 L C 0.113 176.997 176.870 0.023 0.000 1.127 476 L CA 0.073 55.042 54.840 0.215 0.000 0.884 476 L CB 0.064 42.246 42.059 0.206 0.000 1.065 476 L HN 0.101 nan 8.230 nan 0.000 0.457 477 D N 0.386 120.738 120.400 -0.080 0.000 2.481 477 D HA 0.340 4.980 4.640 -0.000 0.000 0.244 477 D C -0.105 176.062 176.300 -0.221 0.000 1.057 477 D CA -0.126 53.794 54.000 -0.134 0.000 0.848 477 D CB 3.129 43.903 40.800 -0.042 0.000 1.388 477 D HN -0.204 nan 8.370 nan 0.000 0.475 478 V N -0.564 119.210 119.914 -0.233 0.000 2.361 478 V HA 0.395 4.515 4.120 -0.000 0.000 0.252 478 V C -2.563 173.483 176.094 -0.080 0.000 0.986 478 V CA -1.458 60.723 62.300 -0.197 0.000 1.033 478 V CB 0.445 32.099 31.823 -0.283 0.000 1.282 478 V HN 0.288 nan 8.190 nan 0.000 0.514 479 P HA 0.423 nan 4.420 nan 0.000 0.274 479 P C 0.837 178.107 177.300 -0.049 0.000 1.246 479 P CA 1.069 64.149 63.100 -0.033 0.000 0.795 479 P CB 1.322 33.006 31.700 -0.026 0.000 1.006 480 G N 0.576 109.349 108.800 -0.045 0.000 2.212 480 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.255 480 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.255 480 G C -0.186 174.641 174.900 -0.122 0.000 1.062 480 G CA -0.243 44.816 45.100 -0.067 0.000 0.815 480 G HN 0.484 nan 8.290 nan 0.000 0.497 481 I N 0.634 121.099 120.570 -0.174 0.000 2.362 481 I HA 0.292 4.462 4.170 -0.000 0.000 0.289 481 I C -0.574 175.279 176.117 -0.440 0.000 0.994 481 I CA -0.766 60.299 61.300 -0.392 0.000 1.158 481 I CB 1.691 39.311 38.000 -0.632 0.000 1.315 481 I HN 0.048 nan 8.210 nan 0.000 0.451 482 D N 6.376 126.557 120.400 -0.364 0.000 2.467 482 D HA 0.208 4.848 4.640 -0.000 0.000 0.220 482 D C 0.517 176.682 176.300 -0.224 0.000 1.103 482 D CA -0.318 53.560 54.000 -0.203 0.000 0.886 482 D CB 0.558 41.297 40.800 -0.102 0.000 1.025 482 D HN 0.276 nan 8.370 nan 0.000 0.514 483 F N 1.963 121.923 119.950 0.018 0.000 2.407 483 F HA 0.058 4.585 4.527 -0.000 0.000 0.299 483 F C 2.280 178.096 175.800 0.026 0.000 1.097 483 F CA 0.494 58.509 58.000 0.026 0.000 1.422 483 F CB 0.034 39.058 39.000 0.039 0.000 1.067 483 F HN 0.256 nan 8.300 nan 0.000 0.539 484 R N -0.025 120.578 120.500 0.170 0.000 2.090 484 R HA -0.023 4.317 4.340 -0.000 0.000 0.228 484 R C 2.436 178.770 176.300 0.057 0.000 1.110 484 R CA 1.061 57.227 56.100 0.109 0.000 0.973 484 R CB -0.599 29.753 30.300 0.087 0.000 0.869 484 R HN 0.237 nan 8.270 nan 0.000 0.440 485 A N 0.984 123.814 122.820 0.016 0.000 1.929 485 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 485 A C 2.087 179.647 177.584 -0.040 0.000 1.176 485 A CA 0.924 52.947 52.037 -0.022 0.000 0.628 485 A CB -0.390 18.580 19.000 -0.050 0.000 0.816 485 A HN 0.150 nan 8.150 nan 0.000 0.444 486 L N -0.764 120.441 121.223 -0.029 0.000 1.994 486 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 486 L C 3.164 180.061 176.870 0.046 0.000 1.071 486 L CA 1.164 55.993 54.840 -0.019 0.000 0.745 486 L CB -0.716 41.363 42.059 0.033 0.000 0.892 486 L HN 0.443 nan 8.230 nan 0.000 0.431 487 A N 0.343 123.224 122.820 0.101 0.000 1.892 487 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 487 A C 2.390 180.030 177.584 0.093 0.000 1.188 487 A CA 2.323 54.430 52.037 0.117 0.000 0.631 487 A CB -0.595 18.474 19.000 0.116 0.000 0.822 487 A HN 0.370 nan 8.150 nan 0.000 0.447 488 K N -0.673 119.757 120.400 0.050 0.000 2.103 488 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 488 K C 1.989 178.588 176.600 -0.000 0.000 1.048 488 K CA 1.436 57.741 56.287 0.029 0.000 0.930 488 K CB -0.572 31.935 32.500 0.012 0.000 0.716 488 K HN 0.397 nan 8.250 nan 0.000 0.444 489 G N -0.259 108.494 108.800 -0.079 0.000 2.442 489 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 489 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 489 G C 0.662 175.440 174.900 -0.203 0.000 1.141 489 G CA 0.729 45.697 45.100 -0.220 0.000 0.763 489 G HN 0.340 nan 8.290 nan 0.000 0.554 490 Y N 0.328 120.699 120.300 0.118 0.000 2.571 490 Y HA 0.400 4.950 4.550 -0.000 0.000 0.275 490 Y C 1.831 177.818 175.900 0.146 0.000 1.179 490 Y CA -0.968 57.257 58.100 0.208 0.000 1.242 490 Y CB 0.125 38.708 38.460 0.205 0.000 1.126 490 Y HN 0.262 nan 8.280 nan 0.000 0.524 491 G N 0.380 109.296 108.800 0.193 0.000 2.160 491 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.251 491 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.251 491 G C -0.243 174.709 174.900 0.085 0.000 1.008 491 G CA 0.328 45.493 45.100 0.107 0.000 0.724 491 G HN 0.145 nan 8.290 nan 0.000 0.514 492 V N 0.629 120.611 119.914 0.114 0.000 2.472 492 V HA 0.421 4.541 4.120 -0.000 0.000 0.290 492 V C 0.868 177.022 176.094 0.100 0.000 1.037 492 V CA -0.533 61.834 62.300 0.113 0.000 0.908 492 V CB 1.858 33.764 31.823 0.138 0.000 0.985 492 V HN 0.523 nan 8.190 nan 0.000 0.454 493 Q N 2.828 122.683 119.800 0.093 0.000 2.300 493 Q HA 0.458 4.797 4.340 -0.000 0.000 0.280 493 Q C -0.283 175.774 176.000 0.095 0.000 1.033 493 Q CA -0.140 55.710 55.803 0.079 0.000 0.903 493 Q CB 0.868 29.645 28.738 0.065 0.000 1.195 493 Q HN 0.922 nan 8.270 nan 0.000 0.386 494 A N 5.485 128.354 122.820 0.081 0.000 2.343 494 A HA 0.686 5.006 4.320 -0.000 0.000 0.316 494 A C -1.228 176.400 177.584 0.074 0.000 1.104 494 A CA -0.718 51.373 52.037 0.089 0.000 0.768 494 A CB 0.894 19.947 19.000 0.088 0.000 1.213 494 A HN 0.772 nan 8.150 nan 0.000 0.456 495 L N 1.466 122.736 121.223 0.078 0.000 2.341 495 L HA 0.631 4.971 4.340 -0.000 0.000 0.267 495 L C -0.356 176.553 176.870 0.064 0.000 1.009 495 L CA -1.195 53.682 54.840 0.062 0.000 0.819 495 L CB 2.399 44.492 42.059 0.056 0.000 1.323 495 L HN 0.840 nan 8.230 nan 0.000 0.425 496 K N 0.718 121.150 120.400 0.052 0.000 2.156 496 K HA 0.841 5.161 4.320 -0.000 0.000 0.254 496 K C -0.827 175.795 176.600 0.037 0.000 0.950 496 K CA -0.606 55.711 56.287 0.049 0.000 0.849 496 K CB 1.983 34.510 32.500 0.046 0.000 1.100 496 K HN 0.556 nan 8.250 nan 0.000 0.434 497 A N 2.190 125.029 122.820 0.032 0.000 2.943 497 A HA 0.293 4.613 4.320 -0.000 0.000 0.327 497 A C -0.712 176.879 177.584 0.012 0.000 1.141 497 A CA -0.726 51.323 52.037 0.020 0.000 0.773 497 A CB 0.004 19.013 19.000 0.016 0.000 1.143 497 A HN 0.731 nan 8.150 nan 0.000 0.463 498 D N 0.861 121.269 120.400 0.013 0.000 2.317 498 D HA 0.021 4.661 4.640 -0.000 0.000 0.211 498 D C 0.608 176.906 176.300 -0.004 0.000 0.966 498 D CA 1.600 55.604 54.000 0.007 0.000 0.876 498 D CB 0.228 41.034 40.800 0.011 0.000 0.927 498 D HN 0.812 nan 8.370 nan 0.000 0.519 499 N N -1.633 117.066 118.700 -0.002 0.000 3.039 499 N HA 0.109 4.849 4.740 -0.000 0.000 0.257 499 N C 0.150 175.659 175.510 -0.001 0.000 1.497 499 N CA -0.763 52.284 53.050 -0.005 0.000 0.861 499 N CB 0.827 39.314 38.487 0.000 0.000 1.479 499 N HN -0.202 nan 8.380 nan 0.000 0.547 500 L N -0.082 121.142 121.223 0.002 0.000 2.093 500 L HA 0.106 4.446 4.340 -0.000 0.000 0.208 500 L C 1.961 178.837 176.870 0.009 0.000 1.085 500 L CA 1.864 56.707 54.840 0.006 0.000 0.755 500 L CB -0.856 41.210 42.059 0.012 0.000 0.904 500 L HN 0.877 nan 8.230 nan 0.000 0.435 501 E N -1.033 119.173 120.200 0.010 0.000 2.077 501 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 501 E C 2.076 178.684 176.600 0.012 0.000 0.989 501 E CA 1.414 57.821 56.400 0.011 0.000 0.800 501 E CB -0.073 29.633 29.700 0.011 0.000 0.746 501 E HN 0.680 nan 8.360 nan 0.000 0.452 502 Q N 0.038 119.845 119.800 0.012 0.000 2.172 502 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 502 Q C 2.320 178.330 176.000 0.016 0.000 0.964 502 Q CA 0.798 56.609 55.803 0.014 0.000 0.855 502 Q CB -0.056 28.690 28.738 0.015 0.000 0.918 502 Q HN 0.256 nan 8.270 nan 0.000 0.444 503 L N 1.493 122.723 121.223 0.012 0.000 1.994 503 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 503 L C 1.938 178.819 176.870 0.018 0.000 1.071 503 L CA 1.902 56.749 54.840 0.012 0.000 0.745 503 L CB -0.282 41.778 42.059 0.003 0.000 0.892 503 L HN -0.013 nan 8.230 nan 0.000 0.431 504 K N -0.713 119.697 120.400 0.017 0.000 2.103 504 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 504 K C 1.964 178.576 176.600 0.019 0.000 1.048 504 K CA 1.215 57.514 56.287 0.019 0.000 0.930 504 K CB -0.659 31.851 32.500 0.018 0.000 0.716 504 K HN 0.591 nan 8.250 nan 0.000 0.444 505 G N 0.529 109.340 108.800 0.018 0.000 2.408 505 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 505 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 505 G C 1.567 176.479 174.900 0.021 0.000 1.150 505 G CA 0.632 45.742 45.100 0.018 0.000 0.776 505 G HN 0.170 nan 8.290 nan 0.000 0.542 506 S N 0.247 115.962 115.700 0.024 0.000 2.371 506 S HA 0.078 4.548 4.470 -0.000 0.000 0.224 506 S C 2.292 176.910 174.600 0.030 0.000 1.029 506 S CA 0.430 58.648 58.200 0.029 0.000 0.978 506 S CB -0.179 63.041 63.200 0.034 0.000 0.833 506 S HN 0.285 nan 8.310 nan 0.000 0.466 507 L N 1.381 122.622 121.223 0.030 0.000 2.083 507 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 507 L C 2.815 179.700 176.870 0.023 0.000 1.083 507 L CA 1.291 56.150 54.840 0.031 0.000 0.752 507 L CB -0.525 41.556 42.059 0.036 0.000 0.899 507 L HN 0.407 nan 8.230 nan 0.000 0.433 508 Q N 0.324 120.137 119.800 0.021 0.000 2.050 508 Q HA -0.282 4.058 4.340 -0.000 0.000 0.202 508 Q C 2.121 178.130 176.000 0.015 0.000 0.980 508 Q CA 1.960 57.773 55.803 0.016 0.000 0.840 508 Q CB 0.028 28.776 28.738 0.015 0.000 0.898 508 Q HN 0.481 nan 8.270 nan 0.000 0.424 509 E N -0.750 119.460 120.200 0.018 0.000 2.107 509 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 509 E C 1.748 178.360 176.600 0.019 0.000 0.982 509 E CA 0.809 57.220 56.400 0.018 0.000 0.809 509 E CB -0.050 29.663 29.700 0.022 0.000 0.756 509 E HN 0.456 nan 8.360 nan 0.000 0.459 510 A N 0.867 123.700 122.820 0.021 0.000 1.872 510 A HA -0.103 4.217 4.320 -0.000 0.000 0.214 510 A C 2.133 179.719 177.584 0.004 0.000 1.187 510 A CA 0.820 52.869 52.037 0.019 0.000 0.614 510 A CB -0.604 18.412 19.000 0.025 0.000 0.826 510 A HN 0.277 nan 8.150 nan 0.000 0.442 511 L N 0.501 121.725 121.223 0.002 0.000 2.191 511 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 511 L C 2.793 179.658 176.870 -0.009 0.000 1.103 511 L CA 1.552 56.386 54.840 -0.009 0.000 0.769 511 L CB -0.270 41.787 42.059 -0.004 0.000 0.908 511 L HN 0.617 nan 8.230 nan 0.000 0.438 512 S N -0.675 115.024 115.700 -0.002 0.000 2.528 512 S HA 0.196 4.666 4.470 -0.000 0.000 0.219 512 S C 1.043 175.642 174.600 -0.001 0.000 0.985 512 S CA 0.012 58.211 58.200 -0.001 0.000 0.914 512 S CB -0.060 63.141 63.200 0.002 0.000 0.776 512 S HN 0.203 nan 8.310 nan 0.000 0.526 513 A N 1.700 124.521 122.820 0.002 0.000 2.407 513 A HA 0.515 4.835 4.320 -0.000 0.000 0.248 513 A C 1.063 178.647 177.584 0.001 0.000 1.082 513 A CA -0.525 51.515 52.037 0.006 0.000 0.785 513 A CB 0.411 19.420 19.000 0.015 0.000 1.020 513 A HN 0.263 nan 8.150 nan 0.000 0.489 514 K N 1.512 121.914 120.400 0.003 0.000 2.334 514 K HA 0.104 4.424 4.320 -0.000 0.000 0.195 514 K C 1.044 177.647 176.600 0.005 0.000 1.045 514 K CA 0.951 57.239 56.287 0.001 0.000 1.004 514 K CB 0.229 32.730 32.500 0.001 0.000 0.837 514 K HN 0.763 nan 8.250 nan 0.000 0.510 515 G N 2.439 111.246 108.800 0.012 0.000 2.601 515 G HA2 0.380 4.340 3.960 -0.000 0.000 0.317 515 G HA3 0.380 4.340 3.960 -0.000 0.000 0.317 515 G C -2.761 172.162 174.900 0.038 0.000 1.246 515 G CA -1.303 43.810 45.100 0.023 0.000 1.012 515 G HN -0.158 nan 8.290 nan 0.000 0.494 516 P HA 0.317 nan 4.420 nan 0.000 0.271 516 P C -0.775 176.613 177.300 0.146 0.000 1.216 516 P CA -0.164 63.009 63.100 0.122 0.000 0.776 516 P CB 1.627 33.475 31.700 0.246 0.000 0.881 517 V N 4.121 124.127 119.914 0.152 0.000 2.588 517 V HA 0.359 4.479 4.120 -0.000 0.000 0.304 517 V C 0.108 176.360 176.094 0.263 0.000 1.042 517 V CA -0.833 61.563 62.300 0.161 0.000 0.877 517 V CB 2.010 33.885 31.823 0.087 0.000 0.996 517 V HN 0.456 nan 8.190 nan 0.000 0.425 518 L N 5.914 127.287 121.223 0.251 0.000 2.296 518 L HA 0.677 5.017 4.340 -0.000 0.000 0.286 518 L C -0.865 176.099 176.870 0.157 0.000 1.023 518 L CA -0.178 54.815 54.840 0.255 0.000 0.812 518 L CB 0.982 43.161 42.059 0.200 0.000 1.223 518 L HN 0.582 nan 8.230 nan 0.000 0.421 519 I N 4.609 125.260 120.570 0.135 0.000 2.339 519 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 519 I C -0.152 176.005 176.117 0.066 0.000 0.994 519 I CA -0.434 60.920 61.300 0.089 0.000 1.191 519 I CB 1.681 39.722 38.000 0.069 0.000 1.343 519 I HN 0.621 nan 8.210 nan 0.000 0.458 520 E N 6.584 126.825 120.200 0.068 0.000 2.044 520 E HA 0.314 4.664 4.350 -0.000 0.000 0.282 520 E C -1.218 175.403 176.600 0.034 0.000 1.031 520 E CA -0.516 55.915 56.400 0.051 0.000 0.824 520 E CB 0.977 30.754 29.700 0.130 0.000 1.076 520 E HN 0.393 nan 8.360 nan 0.000 0.395 521 V N 4.069 123.985 119.914 0.002 0.000 2.432 521 V HA 0.118 4.238 4.120 -0.000 0.000 0.275 521 V C 0.092 176.182 176.094 -0.006 0.000 1.043 521 V CA -0.644 61.652 62.300 -0.006 0.000 0.925 521 V CB 1.527 33.333 31.823 -0.028 0.000 0.985 521 V HN 0.626 nan 8.190 nan 0.000 0.466 522 S N 4.052 119.752 115.700 -0.000 0.000 2.423 522 S HA 0.297 4.767 4.470 -0.000 0.000 0.302 522 S C 0.584 175.165 174.600 -0.031 0.000 1.143 522 S CA -0.518 57.681 58.200 -0.001 0.000 1.080 522 S CB 0.071 63.273 63.200 0.003 0.000 1.081 522 S HN 0.966 nan 8.310 nan 0.000 0.522 523 T N -0.702 113.833 114.554 -0.032 0.000 2.944 523 T HA 0.594 4.944 4.350 -0.000 0.000 0.284 523 T C 0.380 175.043 174.700 -0.062 0.000 1.010 523 T CA -1.024 61.040 62.100 -0.060 0.000 1.025 523 T CB 1.026 69.864 68.868 -0.049 0.000 1.079 523 T HN 0.410 nan 8.240 nan 0.000 0.516 524 V N 0.877 120.724 119.914 -0.112 0.000 2.555 524 V HA 0.510 4.630 4.120 -0.000 0.000 0.286 524 V C 0.468 176.553 176.094 -0.014 0.000 1.044 524 V CA -0.699 61.538 62.300 -0.105 0.000 1.026 524 V CB -0.186 31.492 31.823 -0.241 0.000 0.981 524 V HN 1.159 nan 8.190 nan 0.000 0.480 525 S N 5.168 120.874 115.700 0.011 0.000 2.576 525 S HA 0.448 4.918 4.470 -0.000 0.000 0.276 525 S C -1.111 173.528 174.600 0.066 0.000 1.339 525 S CA -0.532 57.696 58.200 0.047 0.000 1.039 525 S CB 0.891 64.120 63.200 0.048 0.000 0.902 525 S HN 0.878 nan 8.310 nan 0.000 0.516 526 P HA 0.188 nan 4.420 nan 0.000 0.255 526 P C 0.190 177.549 177.300 0.098 0.000 1.248 526 P CA -0.133 63.030 63.100 0.105 0.000 0.807 526 P CB -0.130 31.650 31.700 0.132 0.000 1.150 527 V N 0.000 119.964 119.914 0.084 0.000 2.409 527 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 527 V CA 0.000 62.343 62.300 0.073 0.000 1.235 527 V CB 0.000 31.861 31.823 0.063 0.000 1.184 527 V HN 0.000 nan 8.190 nan 0.000 0.556