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 1mcz_1_K 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 IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVS 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 0.000 177.670 177.584 0.144 0.000 1.274 2 A CA 0.000 52.114 52.037 0.128 0.000 0.836 2 A CB 0.000 19.095 19.000 0.158 0.000 0.831 3 S N -0.784 115.024 115.700 0.181 0.000 2.690 3 S HA 0.557 5.027 4.470 -0.000 0.000 0.291 3 S C 0.893 175.658 174.600 0.276 0.000 1.138 3 S CA 0.039 58.367 58.200 0.214 0.000 1.013 3 S CB 1.195 64.536 63.200 0.235 0.000 1.053 3 S HN 1.412 nan 8.310 nan 0.000 0.539 4 V N 1.642 121.727 119.914 0.285 0.000 2.392 4 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 4 V C 2.545 178.952 176.094 0.522 0.000 1.059 4 V CA 2.302 64.788 62.300 0.310 0.000 1.051 4 V CB -1.401 30.533 31.823 0.185 0.000 0.658 4 V HN 1.044 nan 8.190 nan 0.000 0.455 5 H N 0.846 120.235 119.070 0.532 0.000 2.253 5 H HA -0.166 4.390 4.556 -0.000 0.000 0.296 5 H C 2.334 177.899 175.328 0.396 0.000 1.074 5 H CA 2.340 58.717 56.048 0.548 0.000 1.263 5 H CB -0.564 29.421 29.762 0.371 0.000 1.363 5 H HN 0.401 nan 8.280 nan 0.000 0.489 6 G N -0.436 108.639 108.800 0.458 0.000 2.446 6 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 6 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 6 G C 1.819 176.861 174.900 0.237 0.000 1.168 6 G CA 1.614 46.894 45.100 0.300 0.000 0.771 6 G HN 0.480 nan 8.290 nan 0.000 0.551 7 T N 0.864 115.590 114.554 0.287 0.000 2.788 7 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 7 T C 2.614 177.517 174.700 0.339 0.000 1.044 7 T CA 1.779 64.092 62.100 0.354 0.000 1.139 7 T CB -0.467 68.608 68.868 0.345 0.000 0.867 7 T HN 0.311 nan 8.240 nan 0.000 0.454 8 T N 0.835 115.555 114.554 0.278 0.000 2.737 8 T HA -0.057 4.292 4.350 -0.000 0.000 0.265 8 T C 1.635 176.334 174.700 -0.001 0.000 1.038 8 T CA 1.089 63.308 62.100 0.198 0.000 1.144 8 T CB -0.523 68.533 68.868 0.312 0.000 0.866 8 T HN 0.441 nan 8.240 nan 0.000 0.434 9 Y N 1.215 121.452 120.300 -0.105 0.000 2.274 9 Y HA -0.095 4.455 4.550 -0.000 0.000 0.290 9 Y C 2.641 178.469 175.900 -0.121 0.000 1.145 9 Y CA 1.140 59.060 58.100 -0.300 0.000 1.203 9 Y CB -0.118 37.989 38.460 -0.589 0.000 0.984 9 Y HN 0.179 nan 8.280 nan 0.000 0.533 10 E N 0.533 120.748 120.200 0.025 0.000 2.047 10 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 10 E C 2.023 178.494 176.600 -0.215 0.000 0.987 10 E CA 1.002 57.288 56.400 -0.190 0.000 0.799 10 E CB -0.558 28.869 29.700 -0.455 0.000 0.752 10 E HN 0.342 nan 8.360 nan 0.000 0.449 11 L N 0.320 121.563 121.223 0.034 0.000 2.012 11 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 11 L C 2.174 179.125 176.870 0.135 0.000 1.073 11 L CA 1.758 56.750 54.840 0.253 0.000 0.748 11 L CB -0.673 41.611 42.059 0.374 0.000 0.891 11 L HN 0.285 nan 8.230 nan 0.000 0.431 12 L N -0.337 120.946 121.223 0.101 0.000 1.989 12 L HA -0.248 4.091 4.340 -0.000 0.000 0.211 12 L C 2.911 179.862 176.870 0.135 0.000 1.071 12 L CA 2.110 57.016 54.840 0.109 0.000 0.749 12 L CB -0.736 41.365 42.059 0.070 0.000 0.890 12 L HN 0.423 nan 8.230 nan 0.000 0.431 13 R N -0.291 120.329 120.500 0.200 0.000 2.081 13 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 13 R C 2.241 178.534 176.300 -0.012 0.000 1.131 13 R CA 0.913 57.035 56.100 0.037 0.000 0.960 13 R CB -0.517 29.828 30.300 0.075 0.000 0.856 13 R HN 0.189 nan 8.270 nan 0.000 0.436 14 R N 0.631 121.126 120.500 -0.009 0.000 2.193 14 R HA -0.015 4.325 4.340 -0.000 0.000 0.229 14 R C 1.441 177.774 176.300 0.056 0.000 1.110 14 R CA 0.893 56.998 56.100 0.008 0.000 0.988 14 R CB -0.121 30.179 30.300 -0.001 0.000 0.871 14 R HN 0.438 nan 8.270 nan 0.000 0.458 15 Q N -0.610 119.224 119.800 0.057 0.000 2.246 15 Q HA 0.153 4.493 4.340 -0.000 0.000 0.202 15 Q C 0.712 176.726 176.000 0.024 0.000 0.883 15 Q CA 0.408 56.240 55.803 0.049 0.000 0.952 15 Q CB 0.955 29.713 28.738 0.033 0.000 1.078 15 Q HN 0.527 nan 8.270 nan 0.000 0.493 16 G N 1.103 109.906 108.800 0.004 0.000 2.176 16 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.253 16 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.253 16 G C 0.249 175.128 174.900 -0.036 0.000 0.979 16 G CA -0.089 45.001 45.100 -0.016 0.000 0.641 16 G HN 0.356 nan 8.290 nan 0.000 0.530 17 I N 1.592 122.140 120.570 -0.037 0.000 2.395 17 I HA 0.440 4.610 4.170 -0.000 0.000 0.289 17 I C 0.680 176.586 176.117 -0.352 0.000 1.023 17 I CA 0.173 61.447 61.300 -0.043 0.000 1.350 17 I CB 1.319 39.364 38.000 0.075 0.000 1.409 17 I HN 0.253 nan 8.210 nan 0.000 0.507 18 D N 1.573 121.742 120.400 -0.385 0.000 2.530 18 D HA 0.077 4.717 4.640 -0.000 0.000 0.253 18 D C -0.126 175.952 176.300 -0.369 0.000 1.338 18 D CA -0.042 53.459 54.000 -0.832 0.000 0.806 18 D CB 0.490 40.956 40.800 -0.557 0.000 1.160 18 D HN 0.283 nan 8.370 nan 0.000 0.514 19 T N 0.206 114.706 114.554 -0.091 0.000 2.881 19 T HA 0.582 4.932 4.350 -0.000 0.000 0.290 19 T C -0.845 173.860 174.700 0.009 0.000 1.000 19 T CA -0.605 61.424 62.100 -0.118 0.000 0.978 19 T CB 2.526 71.156 68.868 -0.397 0.000 0.997 19 T HN -0.117 nan 8.240 nan 0.000 0.443 20 V N 3.911 123.826 119.914 0.002 0.000 2.378 20 V HA 0.503 4.623 4.120 -0.000 0.000 0.288 20 V C -0.995 174.872 176.094 -0.378 0.000 1.016 20 V CA -0.848 61.561 62.300 0.182 0.000 0.840 20 V CB 0.689 32.850 31.823 0.564 0.000 0.994 20 V HN 0.796 nan 8.190 nan 0.000 0.431 21 F N 3.260 123.164 119.950 -0.076 0.000 2.410 21 F HA 0.838 5.365 4.527 -0.000 0.000 0.349 21 F C 0.898 176.569 175.800 -0.215 0.000 1.117 21 F CA -0.035 57.818 58.000 -0.245 0.000 1.104 21 F CB 1.835 40.748 39.000 -0.145 0.000 1.122 21 F HN 0.656 nan 8.300 nan 0.000 0.483 22 G N 2.212 110.892 108.800 -0.200 0.000 2.488 22 G HA2 0.272 4.232 3.960 -0.000 0.000 0.301 22 G HA3 0.272 4.232 3.960 -0.000 0.000 0.301 22 G C -2.223 172.765 174.900 0.147 0.000 1.339 22 G CA -0.912 44.202 45.100 0.023 0.000 0.803 22 G HN 0.519 nan 8.290 nan 0.000 0.482 23 N N 1.137 119.971 118.700 0.223 0.000 2.558 23 N HA 0.372 5.112 4.740 -0.000 0.000 0.285 23 N C -2.775 172.852 175.510 0.196 0.000 1.112 23 N CA -1.160 52.012 53.050 0.203 0.000 0.857 23 N CB 3.017 41.580 38.487 0.127 0.000 1.376 23 N HN 0.377 nan 8.380 nan 0.000 0.526 24 P HA 0.233 nan 4.420 nan 0.000 0.269 24 P C -0.151 177.115 177.300 -0.057 0.000 1.217 24 P CA 0.214 63.361 63.100 0.077 0.000 0.783 24 P CB 1.222 32.914 31.700 -0.013 0.000 0.898 25 G N -0.614 108.125 108.800 -0.103 0.000 2.660 25 G HA2 0.362 4.322 3.960 -0.000 0.000 0.290 25 G HA3 0.362 4.322 3.960 -0.000 0.000 0.290 25 G C 0.733 175.538 174.900 -0.160 0.000 1.432 25 G CA 0.057 44.879 45.100 -0.464 0.000 0.807 25 G HN 0.428 nan 8.290 nan 0.000 0.485 26 S N 0.151 115.752 115.700 -0.165 0.000 2.368 26 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 26 S C 1.743 176.306 174.600 -0.063 0.000 1.030 26 S CA 1.737 59.883 58.200 -0.089 0.000 0.999 26 S CB -0.308 62.834 63.200 -0.096 0.000 0.844 26 S HN 0.438 nan 8.310 nan 0.000 0.459 27 N N 1.975 120.775 118.700 0.166 0.000 2.443 27 N HA -0.025 4.715 4.740 -0.000 0.000 0.184 27 N C 1.110 176.799 175.510 0.299 0.000 1.037 27 N CA 1.281 54.472 53.050 0.235 0.000 0.896 27 N CB -0.330 38.353 38.487 0.327 0.000 0.959 27 N HN 0.633 nan 8.380 nan 0.000 0.442 28 E N -0.499 119.854 120.200 0.256 0.000 2.460 28 E HA 0.211 4.561 4.350 -0.000 0.000 0.200 28 E C 1.766 178.488 176.600 0.204 0.000 1.011 28 E CA -0.156 56.417 56.400 0.288 0.000 0.912 28 E CB 0.051 29.930 29.700 0.298 0.000 0.953 28 E HN 0.217 nan 8.360 nan 0.000 0.494 29 L N 1.040 122.314 121.223 0.084 0.000 2.013 29 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 29 L C -0.649 176.249 176.870 0.047 0.000 1.073 29 L CA 1.540 56.389 54.840 0.016 0.000 0.753 29 L CB -1.401 40.627 42.059 -0.052 0.000 0.890 29 L HN 0.139 nan 8.230 nan 0.000 0.432 30 P HA -0.205 nan 4.420 nan 0.000 0.221 30 P C 1.304 178.678 177.300 0.124 0.000 1.145 30 P CA 1.318 64.543 63.100 0.208 0.000 0.795 30 P CB 0.004 31.982 31.700 0.464 0.000 0.775 31 F N -0.431 119.359 119.950 -0.267 0.000 2.317 31 F HA 0.089 4.616 4.527 -0.000 0.000 0.293 31 F C 1.694 177.456 175.800 -0.063 0.000 1.085 31 F CA 0.976 58.580 58.000 -0.661 0.000 1.390 31 F CB -0.594 37.766 39.000 -1.066 0.000 1.077 31 F HN -0.288 nan 8.300 nan 0.000 0.517 32 L N 1.051 122.181 121.223 -0.155 0.000 2.341 32 L HA -0.028 4.312 4.340 -0.000 0.000 0.214 32 L C 1.069 177.885 176.870 -0.089 0.000 1.115 32 L CA 0.207 54.951 54.840 -0.160 0.000 0.820 32 L CB -0.796 41.184 42.059 -0.133 0.000 0.944 32 L HN 0.035 nan 8.230 nan 0.000 0.452 33 K N 0.308 120.663 120.400 -0.074 0.000 2.469 33 K HA -0.079 4.241 4.320 -0.000 0.000 0.274 33 K C -0.312 176.218 176.600 -0.116 0.000 0.983 33 K CA -0.068 56.161 56.287 -0.097 0.000 0.974 33 K CB 0.321 32.757 32.500 -0.107 0.000 0.913 33 K HN 0.009 nan 8.250 nan 0.000 0.493 34 D N 0.598 120.927 120.400 -0.119 0.000 2.723 34 D HA -0.214 4.426 4.640 -0.000 0.000 0.236 34 D C -0.707 175.492 176.300 -0.169 0.000 1.138 34 D CA 0.769 54.684 54.000 -0.142 0.000 0.676 34 D CB -1.325 39.343 40.800 -0.220 0.000 1.069 34 D HN 0.511 nan 8.370 nan 0.000 0.430 35 F N 1.145 120.905 119.950 -0.316 0.000 2.569 35 F HA 0.142 4.669 4.527 -0.000 0.000 0.395 35 F C -1.372 174.196 175.800 -0.385 0.000 1.028 35 F CA -1.288 56.454 58.000 -0.430 0.000 1.158 35 F CB 0.291 39.126 39.000 -0.274 0.000 1.023 35 F HN -0.134 nan 8.300 nan 0.000 0.547 36 P HA -0.055 nan 4.420 nan 0.000 0.265 36 P C 0.272 177.391 177.300 -0.301 0.000 1.187 36 P CA 0.304 63.056 63.100 -0.579 0.000 0.766 36 P CB 0.475 31.750 31.700 -0.708 0.000 0.820 37 E N 1.455 121.578 120.200 -0.129 0.000 2.418 37 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 37 E C 0.721 177.314 176.600 -0.011 0.000 1.026 37 E CA 0.833 57.210 56.400 -0.039 0.000 0.862 37 E CB -0.073 29.609 29.700 -0.030 0.000 0.799 37 E HN 0.615 nan 8.360 nan 0.000 0.518 38 D N -0.263 120.139 120.400 0.004 0.000 2.328 38 D HA -0.026 4.614 4.640 -0.000 0.000 0.221 38 D C 0.051 176.292 176.300 -0.098 0.000 1.072 38 D CA -0.011 53.973 54.000 -0.027 0.000 0.850 38 D CB -0.132 40.643 40.800 -0.042 0.000 0.922 38 D HN -0.040 nan 8.370 nan 0.000 0.516 39 F N 1.191 120.994 119.950 -0.244 0.000 2.556 39 F HA 0.482 5.009 4.527 -0.000 0.000 0.327 39 F C 0.651 176.452 175.800 0.002 0.000 1.059 39 F CA -1.161 56.691 58.000 -0.245 0.000 0.953 39 F CB 1.717 40.329 39.000 -0.646 0.000 1.227 39 F HN -0.221 nan 8.300 nan 0.000 0.478 40 R N 1.074 121.762 120.500 0.312 0.000 2.686 40 R HA 0.573 4.913 4.340 -0.000 0.000 0.283 40 R C -2.220 174.285 176.300 0.341 0.000 0.978 40 R CA -0.884 55.408 56.100 0.320 0.000 0.897 40 R CB 1.744 32.069 30.300 0.042 0.000 1.192 40 R HN 0.679 nan 8.270 nan 0.000 0.457 41 Y N 3.260 123.598 120.300 0.063 0.000 2.341 41 Y HA 0.455 5.005 4.550 -0.000 0.000 0.337 41 Y C -0.825 174.917 175.900 -0.264 0.000 1.014 41 Y CA -1.198 56.802 58.100 -0.167 0.000 1.111 41 Y CB 1.429 39.619 38.460 -0.449 0.000 1.194 41 Y HN 0.523 nan 8.280 nan 0.000 0.462 42 I N 8.105 128.234 120.570 -0.735 0.000 2.354 42 I HA 0.193 4.363 4.170 -0.000 0.000 0.286 42 I C -0.844 175.058 176.117 -0.359 0.000 1.007 42 I CA -0.782 60.114 61.300 -0.675 0.000 1.167 42 I CB 0.985 38.515 38.000 -0.784 0.000 1.320 42 I HN 0.508 nan 8.210 nan 0.000 0.458 43 L N 6.742 128.075 121.223 0.183 0.000 2.334 43 L HA 0.804 5.144 4.340 -0.000 0.000 0.277 43 L C -0.080 177.033 176.870 0.405 0.000 1.075 43 L CA 0.140 55.206 54.840 0.376 0.000 0.804 43 L CB 1.361 43.787 42.059 0.611 0.000 1.174 43 L HN 0.695 nan 8.230 nan 0.000 0.438 44 A N 4.810 127.793 122.820 0.270 0.000 2.435 44 A HA 0.542 4.862 4.320 -0.000 0.000 0.304 44 A C 0.370 178.021 177.584 0.112 0.000 1.064 44 A CA -0.635 51.536 52.037 0.223 0.000 0.727 44 A CB 1.085 20.171 19.000 0.143 0.000 1.284 44 A HN 0.867 nan 8.150 nan 0.000 0.415 45 L N 0.046 121.277 121.223 0.014 0.000 2.465 45 L HA 0.062 4.402 4.340 -0.000 0.000 0.224 45 L C 0.941 177.781 176.870 -0.051 0.000 1.145 45 L CA 0.952 55.724 54.840 -0.114 0.000 0.834 45 L CB -0.041 41.859 42.059 -0.265 0.000 0.944 45 L HN 0.706 nan 8.230 nan 0.000 0.451 46 Q N -0.567 119.231 119.800 -0.004 0.000 2.353 46 Q HA 0.111 4.451 4.340 -0.000 0.000 0.275 46 Q C -0.165 175.861 176.000 0.043 0.000 1.029 46 Q CA -0.299 55.515 55.803 0.018 0.000 0.848 46 Q CB 2.322 31.067 28.738 0.012 0.000 1.390 46 Q HN -0.028 nan 8.270 nan 0.000 0.401 47 E N 1.398 121.631 120.200 0.055 0.000 2.147 47 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 47 E C 1.527 178.160 176.600 0.055 0.000 1.005 47 E CA 2.011 58.449 56.400 0.064 0.000 0.810 47 E CB -0.016 29.726 29.700 0.070 0.000 0.736 47 E HN 0.661 nan 8.360 nan 0.000 0.460 48 A N -0.015 122.837 122.820 0.052 0.000 1.972 48 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 48 A C 2.294 179.907 177.584 0.049 0.000 1.169 48 A CA 1.411 53.482 52.037 0.056 0.000 0.635 48 A CB -0.727 18.315 19.000 0.070 0.000 0.810 48 A HN 0.428 nan 8.150 nan 0.000 0.446 49 C N -1.565 117.760 119.300 0.042 0.000 2.475 49 C HA 0.032 4.492 4.460 -0.000 0.000 0.279 49 C C 2.646 177.654 174.990 0.029 0.000 1.322 49 C CA 0.573 59.609 59.018 0.031 0.000 1.734 49 C CB -1.185 26.573 27.740 0.030 0.000 2.005 49 C HN 0.437 nan 8.230 nan 0.000 0.495 50 V N 1.268 121.211 119.914 0.048 0.000 2.233 50 V HA -0.230 3.889 4.120 -0.000 0.000 0.247 50 V C 2.484 178.580 176.094 0.003 0.000 1.050 50 V CA 2.381 64.716 62.300 0.059 0.000 1.010 50 V CB -0.842 31.029 31.823 0.080 0.000 0.637 50 V HN 0.445 nan 8.190 nan 0.000 0.444 51 V N 0.760 120.679 119.914 0.008 0.000 2.407 51 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 51 V C 2.594 178.663 176.094 -0.042 0.000 1.055 51 V CA 2.023 64.313 62.300 -0.016 0.000 1.049 51 V CB -1.403 30.436 31.823 0.026 0.000 0.662 51 V HN 0.636 nan 8.190 nan 0.000 0.455 52 G N 0.053 108.842 108.800 -0.019 0.000 2.421 52 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 52 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 52 G C 1.565 176.368 174.900 -0.161 0.000 1.171 52 G CA 1.055 46.129 45.100 -0.043 0.000 0.775 52 G HN 0.488 nan 8.290 nan 0.000 0.543 53 I N 1.356 121.829 120.570 -0.161 0.000 2.179 53 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 53 I C 3.316 179.153 176.117 -0.467 0.000 1.088 53 I CA 1.004 62.175 61.300 -0.215 0.000 1.357 53 I CB -0.293 37.660 38.000 -0.077 0.000 1.051 53 I HN 0.243 nan 8.210 nan 0.000 0.409 54 A N 0.288 122.678 122.820 -0.718 0.000 1.940 54 A HA -0.289 4.030 4.320 -0.000 0.000 0.219 54 A C 2.079 179.413 177.584 -0.417 0.000 1.176 54 A CA 2.163 53.545 52.037 -1.092 0.000 0.631 54 A CB -0.646 17.894 19.000 -0.767 0.000 0.814 54 A HN 0.435 nan 8.150 nan 0.000 0.446 55 D N -0.312 119.965 120.400 -0.205 0.000 2.092 55 D HA -0.100 4.540 4.640 -0.000 0.000 0.193 55 D C 2.105 178.373 176.300 -0.054 0.000 0.994 55 D CA 1.751 55.730 54.000 -0.034 0.000 0.828 55 D CB -0.627 40.249 40.800 0.128 0.000 0.963 55 D HN 0.313 nan 8.370 nan 0.000 0.450 56 G N -0.945 107.763 108.800 -0.153 0.000 2.418 56 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 56 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 56 G C 1.696 176.481 174.900 -0.193 0.000 1.158 56 G CA 0.943 45.883 45.100 -0.267 0.000 0.771 56 G HN 0.369 nan 8.290 nan 0.000 0.545 57 Y N 1.973 122.115 120.300 -0.262 0.000 2.128 57 Y HA -0.035 4.515 4.550 -0.000 0.000 0.284 57 Y C 2.939 178.783 175.900 -0.093 0.000 1.154 57 Y CA 1.527 59.532 58.100 -0.158 0.000 1.149 57 Y CB -0.365 37.990 38.460 -0.174 0.000 0.976 57 Y HN 0.252 nan 8.280 nan 0.000 0.505 58 A N 0.035 122.851 122.820 -0.006 0.000 1.877 58 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 58 A C 2.122 179.681 177.584 -0.042 0.000 1.186 58 A CA 1.862 53.891 52.037 -0.013 0.000 0.620 58 A CB -0.758 18.267 19.000 0.042 0.000 0.822 58 A HN 0.648 nan 8.150 nan 0.000 0.443 59 Q N -0.722 119.058 119.800 -0.033 0.000 2.084 59 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 59 Q C 2.420 178.446 176.000 0.044 0.000 0.978 59 Q CA 1.472 57.297 55.803 0.035 0.000 0.844 59 Q CB -0.347 28.430 28.738 0.066 0.000 0.898 59 Q HN 0.690 nan 8.270 nan 0.000 0.426 60 A N 1.067 123.836 122.820 -0.084 0.000 1.897 60 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 60 A C 2.233 179.768 177.584 -0.082 0.000 1.181 60 A CA 1.527 53.547 52.037 -0.029 0.000 0.620 60 A CB -0.463 18.470 19.000 -0.111 0.000 0.821 60 A HN 0.428 nan 8.150 nan 0.000 0.443 61 S N -1.256 114.316 115.700 -0.214 0.000 2.481 61 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 61 S C 0.954 175.488 174.600 -0.111 0.000 0.996 61 S CA 0.660 58.717 58.200 -0.239 0.000 0.942 61 S CB -0.370 62.536 63.200 -0.489 0.000 0.768 61 S HN 0.522 nan 8.310 nan 0.000 0.520 62 R N 0.415 120.880 120.500 -0.058 0.000 3.641 62 R HA -0.121 4.219 4.340 -0.000 0.000 0.286 62 R C -0.889 175.406 176.300 -0.007 0.000 1.153 62 R CA 0.992 57.088 56.100 -0.008 0.000 0.775 62 R CB -1.974 28.331 30.300 0.008 0.000 1.215 62 R HN 0.567 nan 8.270 nan 0.000 0.474 63 K N -0.090 120.300 120.400 -0.016 0.000 2.512 63 K HA 0.431 4.751 4.320 -0.000 0.000 0.263 63 K C -2.566 174.067 176.600 0.054 0.000 0.966 63 K CA -2.020 54.276 56.287 0.016 0.000 0.851 63 K CB 2.613 35.119 32.500 0.010 0.000 1.395 63 K HN -0.217 nan 8.250 nan 0.000 0.440 64 P HA 0.045 nan 4.420 nan 0.000 0.269 64 P C -1.287 176.137 177.300 0.207 0.000 1.215 64 P CA -0.212 62.960 63.100 0.120 0.000 0.780 64 P CB 0.845 32.608 31.700 0.104 0.000 0.898 65 A N 2.904 125.861 122.820 0.228 0.000 2.342 65 A HA 0.571 4.891 4.320 -0.000 0.000 0.323 65 A C -1.120 176.673 177.584 0.347 0.000 1.125 65 A CA -0.654 51.589 52.037 0.343 0.000 0.785 65 A CB 0.532 19.665 19.000 0.222 0.000 1.221 65 A HN 0.502 nan 8.150 nan 0.000 0.463 66 F N 2.696 122.836 119.950 0.316 0.000 2.408 66 F HA 0.708 5.235 4.527 -0.000 0.000 0.344 66 F C -0.422 175.563 175.800 0.308 0.000 1.112 66 F CA -0.516 57.644 58.000 0.266 0.000 1.096 66 F CB 0.696 39.849 39.000 0.255 0.000 1.129 66 F HN 0.430 nan 8.300 nan 0.000 0.486 67 I N 4.746 125.112 120.570 -0.340 0.000 2.646 67 I HA 0.315 4.485 4.170 -0.000 0.000 0.299 67 I C -1.154 174.779 176.117 -0.306 0.000 1.036 67 I CA -0.986 60.233 61.300 -0.136 0.000 1.074 67 I CB 2.236 40.204 38.000 -0.055 0.000 1.258 67 I HN 0.529 nan 8.210 nan 0.000 0.430 68 N N 5.996 124.700 118.700 0.008 0.000 2.540 68 N HA 0.574 5.314 4.740 -0.000 0.000 0.275 68 N C -1.619 173.976 175.510 0.142 0.000 1.053 68 N CA -0.327 52.774 53.050 0.085 0.000 0.876 68 N CB 1.039 39.746 38.487 0.367 0.000 1.284 68 N HN 0.473 nan 8.380 nan 0.000 0.518 69 L N 1.097 122.384 121.223 0.106 0.000 2.304 69 L HA 0.485 4.825 4.340 -0.000 0.000 0.268 69 L C -0.301 176.685 176.870 0.194 0.000 1.010 69 L CA -1.233 53.698 54.840 0.153 0.000 0.813 69 L CB 1.291 43.431 42.059 0.134 0.000 1.315 69 L HN 0.572 nan 8.230 nan 0.000 0.445 70 H N 0.491 119.622 119.070 0.101 0.000 2.690 70 H HA 0.310 4.866 4.556 -0.000 0.000 0.289 70 H C 0.296 175.680 175.328 0.093 0.000 1.089 70 H CA 0.647 56.753 56.048 0.096 0.000 1.299 70 H CB 0.685 30.495 29.762 0.081 0.000 1.405 70 H HN 0.694 nan 8.280 nan 0.000 0.463 71 S N 2.926 118.466 115.700 -0.267 0.000 2.865 71 S HA -0.378 4.092 4.470 -0.000 0.000 0.630 71 S C 1.790 176.350 174.600 -0.066 0.000 3.160 71 S CA 1.597 59.666 58.200 -0.218 0.000 3.629 71 S CB -1.260 61.686 63.200 -0.424 0.000 0.312 71 S HN 1.096 nan 8.310 nan 0.000 1.632 72 A N 0.501 123.284 122.820 -0.061 0.000 1.858 72 A HA 0.244 4.564 4.320 -0.000 0.000 0.216 72 A C 2.684 180.262 177.584 -0.009 0.000 1.190 72 A CA 2.827 54.853 52.037 -0.018 0.000 0.617 72 A CB -1.631 17.353 19.000 -0.025 0.000 0.827 72 A HN 1.768 nan 8.150 nan 0.000 0.443 73 A N -0.483 122.333 122.820 -0.006 0.000 1.883 73 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 73 A C 2.434 180.049 177.584 0.052 0.000 1.186 73 A CA 2.179 54.234 52.037 0.029 0.000 0.624 73 A CB -1.474 17.562 19.000 0.060 0.000 0.822 73 A HN 0.770 nan 8.150 nan 0.000 0.444 74 G N -1.353 107.493 108.800 0.077 0.000 2.421 74 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 74 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 74 G C 1.589 176.537 174.900 0.080 0.000 1.171 74 G CA 1.643 46.807 45.100 0.107 0.000 0.775 74 G HN 0.434 nan 8.290 nan 0.000 0.543 75 T N 1.065 115.663 114.554 0.074 0.000 2.708 75 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 75 T C 2.502 177.198 174.700 -0.007 0.000 1.037 75 T CA 1.510 63.643 62.100 0.056 0.000 1.146 75 T CB -0.677 68.223 68.868 0.054 0.000 0.865 75 T HN 0.358 nan 8.240 nan 0.000 0.435 76 G N 2.294 111.086 108.800 -0.013 0.000 2.476 76 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 76 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 76 G C 1.591 176.489 174.900 -0.003 0.000 1.164 76 G CA 0.787 45.873 45.100 -0.023 0.000 0.768 76 G HN 0.401 nan 8.290 nan 0.000 0.560 77 N N 1.032 119.744 118.700 0.021 0.000 2.443 77 N HA -0.007 4.733 4.740 -0.000 0.000 0.184 77 N C 1.897 177.427 175.510 0.033 0.000 1.037 77 N CA 0.977 54.046 53.050 0.031 0.000 0.896 77 N CB -0.118 38.396 38.487 0.044 0.000 0.959 77 N HN 0.370 nan 8.380 nan 0.000 0.442 78 A N -0.374 122.462 122.820 0.026 0.000 2.348 78 A HA 0.189 4.509 4.320 -0.000 0.000 0.224 78 A C 1.850 179.439 177.584 0.008 0.000 1.227 78 A CA -0.142 51.912 52.037 0.028 0.000 0.885 78 A CB 0.044 19.069 19.000 0.041 0.000 0.933 78 A HN -0.007 nan 8.150 nan 0.000 0.506 79 M N -0.149 119.442 119.600 -0.015 0.000 2.108 79 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 79 M C 2.192 178.476 176.300 -0.027 0.000 1.066 79 M CA 1.690 56.965 55.300 -0.041 0.000 1.107 79 M CB -1.654 30.910 32.600 -0.060 0.000 1.356 79 M HN 0.476 nan 8.290 nan 0.000 0.406 80 G N -0.126 108.670 108.800 -0.008 0.000 2.418 80 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.217 80 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.217 80 G C 1.679 176.579 174.900 0.000 0.000 1.158 80 G CA 1.232 46.327 45.100 -0.008 0.000 0.771 80 G HN 0.549 nan 8.290 nan 0.000 0.545 81 A N 0.555 123.391 122.820 0.027 0.000 1.933 81 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 81 A C 2.408 180.018 177.584 0.045 0.000 1.175 81 A CA 1.189 53.258 52.037 0.054 0.000 0.628 81 A CB -0.387 18.654 19.000 0.069 0.000 0.814 81 A HN 0.356 nan 8.150 nan 0.000 0.444 82 L N 0.517 121.759 121.223 0.032 0.000 2.201 82 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 82 L C 2.989 179.895 176.870 0.060 0.000 1.105 82 L CA 1.406 56.275 54.840 0.049 0.000 0.775 82 L CB -0.481 41.592 42.059 0.025 0.000 0.913 82 L HN 0.658 nan 8.230 nan 0.000 0.440 83 S N -0.351 115.355 115.700 0.010 0.000 2.382 83 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 83 S C 1.767 176.386 174.600 0.031 0.000 1.027 83 S CA 1.187 59.388 58.200 0.002 0.000 0.991 83 S CB -0.352 62.819 63.200 -0.049 0.000 0.823 83 S HN 0.431 nan 8.310 nan 0.000 0.469 84 N N 2.530 121.212 118.700 -0.029 0.000 2.106 84 N HA 0.089 4.829 4.740 -0.000 0.000 0.188 84 N C 2.134 177.603 175.510 -0.068 0.000 1.029 84 N CA 1.482 54.461 53.050 -0.119 0.000 0.848 84 N CB -1.042 37.290 38.487 -0.258 0.000 1.007 84 N HN 0.592 nan 8.380 nan 0.000 0.423 85 A N 1.636 124.461 122.820 0.007 0.000 1.917 85 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 85 A C 2.051 179.678 177.584 0.072 0.000 1.182 85 A CA 1.317 53.381 52.037 0.046 0.000 0.633 85 A CB -1.165 17.888 19.000 0.089 0.000 0.819 85 A HN 0.621 nan 8.150 nan 0.000 0.448 86 W N 1.030 122.299 121.300 -0.053 0.000 2.358 86 W HA -0.190 4.470 4.660 -0.000 0.000 0.303 86 W C 1.389 177.831 176.519 -0.128 0.000 1.208 86 W CA 2.005 59.321 57.345 -0.048 0.000 1.274 86 W CB -0.490 28.946 29.460 -0.039 0.000 1.138 86 W HN 0.416 nan 8.180 nan 0.000 0.515 87 N N 0.285 118.991 118.700 0.010 0.000 2.331 87 N HA -0.142 4.598 4.740 -0.000 0.000 0.180 87 N C 1.779 177.097 175.510 -0.320 0.000 1.019 87 N CA 2.016 54.974 53.050 -0.154 0.000 0.881 87 N CB -0.437 38.030 38.487 -0.034 0.000 0.972 87 N HN 0.129 nan 8.380 nan 0.000 0.435 88 S N -1.547 114.017 115.700 -0.226 0.000 2.556 88 S HA 0.095 4.565 4.470 -0.000 0.000 0.216 88 S C -0.125 174.422 174.600 -0.087 0.000 0.970 88 S CA -0.300 57.811 58.200 -0.148 0.000 0.912 88 S CB -0.529 62.636 63.200 -0.058 0.000 0.790 88 S HN 0.398 nan 8.310 nan 0.000 0.504 89 H N 0.829 119.828 119.070 -0.118 0.000 2.791 89 H HA -0.130 4.426 4.556 -0.000 0.000 0.302 89 H C -0.659 174.636 175.328 -0.054 0.000 1.198 89 H CA 0.401 56.367 56.048 -0.137 0.000 1.145 89 H CB -2.162 27.529 29.762 -0.118 0.000 1.385 89 H HN 0.368 nan 8.280 nan 0.000 0.409 90 S N 2.534 118.272 115.700 0.063 0.000 2.481 90 S HA 0.115 4.585 4.470 -0.000 0.000 0.276 90 S C -1.813 172.830 174.600 0.071 0.000 1.247 90 S CA -0.977 57.265 58.200 0.070 0.000 1.053 90 S CB 0.896 64.135 63.200 0.065 0.000 0.925 90 S HN 0.213 nan 8.310 nan 0.000 0.491 91 P HA 0.191 nan 4.420 nan 0.000 0.263 91 P C -1.054 176.297 177.300 0.085 0.000 1.601 91 P CA 0.004 63.146 63.100 0.071 0.000 1.161 91 P CB -0.174 31.561 31.700 0.059 0.000 1.730 92 L N 4.556 125.834 121.223 0.091 0.000 2.313 92 L HA 0.507 4.847 4.340 -0.000 0.000 0.283 92 L C 0.692 177.616 176.870 0.091 0.000 1.013 92 L CA -0.972 53.919 54.840 0.086 0.000 0.816 92 L CB 1.970 44.070 42.059 0.069 0.000 1.236 92 L HN 0.159 nan 8.230 nan 0.000 0.419 93 I N 4.262 124.873 120.570 0.067 0.000 2.310 93 I HA 0.186 4.356 4.170 -0.000 0.000 0.287 93 I C -0.284 175.744 176.117 -0.149 0.000 1.073 93 I CA -0.514 60.800 61.300 0.023 0.000 1.216 93 I CB 1.173 39.231 38.000 0.096 0.000 1.415 93 I HN 0.251 nan 8.210 nan 0.000 0.480 94 V N 5.255 125.141 119.914 -0.047 0.000 2.368 94 V HA 0.255 4.374 4.120 -0.000 0.000 0.266 94 V C 0.626 176.610 176.094 -0.184 0.000 1.045 94 V CA -0.333 61.928 62.300 -0.065 0.000 0.899 94 V CB 1.003 32.920 31.823 0.156 0.000 1.006 94 V HN 0.788 nan 8.190 nan 0.000 0.470 95 T N 2.352 116.711 114.554 -0.325 0.000 2.823 95 T HA 0.861 5.211 4.350 -0.000 0.000 0.279 95 T C -0.414 174.149 174.700 -0.228 0.000 0.998 95 T CA -0.536 61.360 62.100 -0.340 0.000 0.994 95 T CB 1.950 70.612 68.868 -0.343 0.000 0.960 95 T HN 0.940 nan 8.240 nan 0.000 0.448 96 A N 2.071 124.733 122.820 -0.263 0.000 2.393 96 A HA 0.865 5.185 4.320 -0.000 0.000 0.306 96 A C 0.390 177.955 177.584 -0.033 0.000 1.050 96 A CA -0.734 51.251 52.037 -0.086 0.000 0.724 96 A CB 1.244 20.240 19.000 -0.007 0.000 1.248 96 A HN 1.333 nan 8.150 nan 0.000 0.424 97 G N 0.629 109.476 108.800 0.078 0.000 2.378 97 G HA2 0.461 4.421 3.960 -0.000 0.000 0.255 97 G HA3 0.461 4.421 3.960 -0.000 0.000 0.255 97 G C -0.115 174.840 174.900 0.092 0.000 1.270 97 G CA 0.032 45.228 45.100 0.161 0.000 0.876 97 G HN 0.841 nan 8.290 nan 0.000 0.521 98 Q N 0.634 120.498 119.800 0.106 0.000 2.204 98 Q HA 0.335 4.674 4.340 -0.000 0.000 0.254 98 Q C 0.354 176.435 176.000 0.135 0.000 0.981 98 Q CA -0.637 55.197 55.803 0.052 0.000 0.897 98 Q CB 0.999 29.722 28.738 -0.026 0.000 1.273 98 Q HN 0.506 nan 8.270 nan 0.000 0.464 99 Q N 0.247 120.095 119.800 0.080 0.000 2.535 99 Q HA 0.089 4.429 4.340 -0.000 0.000 0.228 99 Q C -0.563 175.342 176.000 -0.159 0.000 1.062 99 Q CA 0.239 56.102 55.803 0.101 0.000 0.967 99 Q CB 0.755 29.527 28.738 0.057 0.000 1.273 99 Q HN 0.830 nan 8.270 nan 0.000 0.554 100 T N 0.743 115.008 114.554 -0.481 0.000 2.916 100 T HA 0.037 4.387 4.350 -0.000 0.000 0.303 100 T C 1.298 175.825 174.700 -0.288 0.000 1.025 100 T CA 0.060 61.750 62.100 -0.683 0.000 1.142 100 T CB 0.330 68.709 68.868 -0.815 0.000 0.947 100 T HN 0.508 nan 8.240 nan 0.000 0.544 101 R N 3.269 123.627 120.500 -0.235 0.000 2.154 101 R HA -0.179 4.161 4.340 -0.000 0.000 0.248 101 R C 2.510 178.745 176.300 -0.108 0.000 1.155 101 R CA 1.602 57.615 56.100 -0.145 0.000 0.979 101 R CB -0.554 29.670 30.300 -0.127 0.000 0.869 101 R HN 0.762 nan 8.270 nan 0.000 0.452 102 A N 0.139 122.893 122.820 -0.110 0.000 2.121 102 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 102 A C 1.739 179.294 177.584 -0.049 0.000 1.154 102 A CA 1.056 53.052 52.037 -0.067 0.000 0.679 102 A CB -0.039 18.928 19.000 -0.055 0.000 0.795 102 A HN 0.203 nan 8.150 nan 0.000 0.458 103 M N -1.268 118.298 119.600 -0.057 0.000 2.347 103 M HA 0.311 4.791 4.480 -0.000 0.000 0.302 103 M C 0.931 177.217 176.300 -0.025 0.000 1.051 103 M CA 0.119 55.403 55.300 -0.026 0.000 0.988 103 M CB 0.241 32.841 32.600 -0.000 0.000 1.475 103 M HN 0.307 nan 8.290 nan 0.000 0.530 104 I N 0.199 120.743 120.570 -0.043 0.000 2.315 104 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 104 I C 2.462 178.561 176.117 -0.030 0.000 1.117 104 I CA 1.282 62.559 61.300 -0.039 0.000 1.404 104 I CB -0.522 37.444 38.000 -0.057 0.000 1.071 104 I HN 0.370 nan 8.210 nan 0.000 0.419 105 G N 1.319 110.101 108.800 -0.030 0.000 2.459 105 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 105 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 105 G C 1.623 176.513 174.900 -0.016 0.000 1.183 105 G CA 1.399 46.485 45.100 -0.024 0.000 0.776 105 G HN 0.385 nan 8.290 nan 0.000 0.552 106 V N -2.200 117.708 119.914 -0.011 0.000 3.380 106 V HA 0.236 4.356 4.120 -0.000 0.000 0.268 106 V C 0.702 176.794 176.094 -0.003 0.000 1.168 106 V CA 0.984 63.281 62.300 -0.005 0.000 1.156 106 V CB -0.866 30.957 31.823 -0.000 0.000 0.785 106 V HN 0.525 nan 8.190 nan 0.000 0.487 107 E N -0.030 120.167 120.200 -0.005 0.000 2.260 107 E HA -0.174 4.176 4.350 -0.000 0.000 0.204 107 E C 0.553 177.158 176.600 0.008 0.000 1.319 107 E CA 0.184 56.583 56.400 -0.002 0.000 0.679 107 E CB -1.373 28.324 29.700 -0.005 0.000 1.158 107 E HN 1.002 nan 8.360 nan 0.000 0.376 108 A N 0.942 123.772 122.820 0.016 0.000 2.406 108 A HA 0.367 4.687 4.320 -0.000 0.000 0.243 108 A C 0.431 178.037 177.584 0.037 0.000 1.082 108 A CA -0.312 51.742 52.037 0.030 0.000 0.786 108 A CB 0.429 19.454 19.000 0.043 0.000 1.029 108 A HN 0.377 nan 8.150 nan 0.000 0.495 109 L N 0.825 122.073 121.223 0.043 0.000 2.543 109 L HA 0.062 4.402 4.340 -0.000 0.000 0.285 109 L C 0.833 177.742 176.870 0.064 0.000 1.236 109 L CA 1.432 56.301 54.840 0.048 0.000 0.871 109 L CB -0.321 41.770 42.059 0.053 0.000 1.121 109 L HN 0.743 nan 8.230 nan 0.000 0.501 110 L N 1.484 122.737 121.223 0.051 0.000 4.892 110 L HA -0.210 4.130 4.340 -0.000 0.000 0.403 110 L C 0.288 177.164 176.870 0.009 0.000 0.913 110 L CA 0.455 55.315 54.840 0.034 0.000 1.653 110 L CB -2.384 39.737 42.059 0.103 0.000 1.780 110 L HN 0.760 nan 8.230 nan 0.000 0.597 111 T N 1.103 115.666 114.554 0.015 0.000 2.814 111 T HA 0.154 4.504 4.350 -0.000 0.000 0.297 111 T C 0.606 175.297 174.700 -0.015 0.000 0.956 111 T CA -0.009 62.092 62.100 0.002 0.000 1.123 111 T CB 1.036 69.904 68.868 -0.000 0.000 0.902 111 T HN 0.133 nan 8.240 nan 0.000 0.528 112 N N 4.039 122.726 118.700 -0.022 0.000 2.482 112 N HA 0.108 4.848 4.740 -0.000 0.000 0.242 112 N C -0.453 175.043 175.510 -0.022 0.000 1.100 112 N CA -0.239 52.800 53.050 -0.019 0.000 0.946 112 N CB 0.178 38.663 38.487 -0.003 0.000 1.227 112 N HN 0.283 nan 8.380 nan 0.000 0.508 113 V N 3.296 123.195 119.914 -0.024 0.000 2.585 113 V HA -0.009 4.111 4.120 -0.000 0.000 0.296 113 V C 0.934 177.007 176.094 -0.035 0.000 1.035 113 V CA -0.135 62.147 62.300 -0.030 0.000 1.084 113 V CB 0.604 32.411 31.823 -0.026 0.000 0.953 113 V HN 0.733 nan 8.190 nan 0.000 0.483 114 D N 3.288 123.664 120.400 -0.041 0.000 2.737 114 D HA -0.270 4.370 4.640 -0.000 0.000 0.233 114 D C 1.359 177.632 176.300 -0.046 0.000 1.155 114 D CA 1.004 54.975 54.000 -0.048 0.000 0.667 114 D CB -0.588 40.185 40.800 -0.045 0.000 1.060 114 D HN 0.839 nan 8.370 nan 0.000 0.427 115 A N 0.598 123.399 122.820 -0.031 0.000 1.893 115 A HA -0.176 4.144 4.320 -0.000 0.000 0.222 115 A C 2.575 180.182 177.584 0.039 0.000 1.309 115 A CA 3.564 55.613 52.037 0.020 0.000 0.681 115 A CB -1.306 17.715 19.000 0.034 0.000 0.842 115 A HN 1.044 nan 8.150 nan 0.000 0.468 116 A N -0.843 121.978 122.820 0.002 0.000 2.032 116 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 116 A C 1.843 179.382 177.584 -0.074 0.000 1.165 116 A CA 1.971 54.001 52.037 -0.012 0.000 0.645 116 A CB -0.659 18.289 19.000 -0.087 0.000 0.807 116 A HN 0.619 nan 8.150 nan 0.000 0.453 117 N N -0.641 118.010 118.700 -0.082 0.000 2.457 117 N HA -0.045 4.694 4.740 -0.000 0.000 0.180 117 N C 1.465 176.892 175.510 -0.139 0.000 1.050 117 N CA 0.800 53.791 53.050 -0.099 0.000 0.906 117 N CB -0.305 38.137 38.487 -0.076 0.000 0.968 117 N HN 0.438 nan 8.380 nan 0.000 0.445 118 L N 2.732 123.855 121.223 -0.166 0.000 1.970 118 L HA -0.054 4.286 4.340 -0.000 0.000 0.212 118 L C -0.888 175.814 176.870 -0.280 0.000 1.071 118 L CA 2.097 56.813 54.840 -0.207 0.000 0.751 118 L CB -1.460 40.473 42.059 -0.210 0.000 0.889 118 L HN 0.104 nan 8.230 nan 0.000 0.432 119 P HA -0.095 nan 4.420 nan 0.000 0.236 119 P C 0.035 177.183 177.300 -0.253 0.000 1.177 119 P CA 0.480 63.345 63.100 -0.391 0.000 0.773 119 P CB -0.088 31.239 31.700 -0.621 0.000 0.878 120 R N 1.913 122.284 120.500 -0.216 0.000 2.643 120 R HA 0.129 4.469 4.340 -0.000 0.000 0.270 120 R C -1.374 174.806 176.300 -0.199 0.000 1.061 120 R CA -0.900 55.088 56.100 -0.186 0.000 1.107 120 R CB -0.130 30.087 30.300 -0.138 0.000 0.999 120 R HN 0.127 nan 8.270 nan 0.000 0.460 121 P HA 0.100 nan 4.420 nan 0.000 0.248 121 P C 0.005 176.961 177.300 -0.574 0.000 1.708 121 P CA 0.286 63.185 63.100 -0.335 0.000 1.062 121 P CB 0.268 31.781 31.700 -0.311 0.000 1.562 122 L N 0.024 120.994 121.223 -0.422 0.000 2.629 122 L HA 0.174 4.514 4.340 -0.000 0.000 0.230 122 L C 0.785 177.606 176.870 -0.081 0.000 1.151 122 L CA -0.222 54.362 54.840 -0.426 0.000 0.924 122 L CB 0.186 42.115 42.059 -0.217 0.000 1.137 122 L HN -0.076 nan 8.230 nan 0.000 0.457 123 V N -5.332 114.569 119.914 -0.020 0.000 2.962 123 V HA 0.370 4.490 4.120 -0.000 0.000 0.313 123 V C 0.632 177.006 176.094 0.466 0.000 1.099 123 V CA -1.054 61.426 62.300 0.300 0.000 0.971 123 V CB 2.149 34.076 31.823 0.173 0.000 1.028 123 V HN 0.027 nan 8.190 nan 0.000 0.430 124 K N 0.867 121.593 120.400 0.544 0.000 2.155 124 K HA 0.078 4.398 4.320 -0.000 0.000 0.203 124 K C -0.223 176.640 176.600 0.438 0.000 1.052 124 K CA 1.674 58.243 56.287 0.471 0.000 0.948 124 K CB 0.161 32.839 32.500 0.296 0.000 0.728 124 K HN 0.746 nan 8.250 nan 0.000 0.448 125 W N -0.103 121.300 121.300 0.171 0.000 3.425 125 W HA 0.312 4.972 4.660 -0.000 0.000 0.318 125 W C -1.656 174.962 176.519 0.166 0.000 1.201 125 W CA -0.682 56.741 57.345 0.131 0.000 1.212 125 W CB 1.898 31.409 29.460 0.085 0.000 1.355 125 W HN -0.359 nan 8.180 nan 0.000 0.515 126 S N 5.152 120.609 115.700 -0.405 0.000 2.614 126 S HA 0.755 5.225 4.470 -0.000 0.000 0.288 126 S C -2.076 172.171 174.600 -0.588 0.000 1.137 126 S CA -0.309 57.706 58.200 -0.308 0.000 0.992 126 S CB 0.729 63.885 63.200 -0.074 0.000 1.026 126 S HN 0.512 nan 8.310 nan 0.000 0.486 127 Y N 2.246 122.093 120.300 -0.755 0.000 2.624 127 Y HA 0.582 5.131 4.550 -0.000 0.000 0.334 127 Y C -1.511 174.162 175.900 -0.379 0.000 1.155 127 Y CA -0.718 56.974 58.100 -0.680 0.000 1.046 127 Y CB 1.588 39.324 38.460 -1.207 0.000 1.316 127 Y HN 0.688 nan 8.280 nan 0.000 0.457 128 E N 5.190 124.802 120.200 -0.980 0.000 2.265 128 E HA 0.484 4.834 4.350 -0.000 0.000 0.262 128 E C -2.950 173.102 176.600 -0.914 0.000 0.889 128 E CA -2.392 53.604 56.400 -0.673 0.000 0.789 128 E CB 1.914 31.369 29.700 -0.409 0.000 1.221 128 E HN 0.312 nan 8.360 nan 0.000 0.414 129 P HA 0.028 nan 4.420 nan 0.000 0.267 129 P C -0.263 176.926 177.300 -0.185 0.000 1.200 129 P CA 0.180 63.169 63.100 -0.186 0.000 0.772 129 P CB 0.984 32.673 31.700 -0.018 0.000 0.855 130 A N 1.505 124.283 122.820 -0.071 0.000 2.218 130 A HA 0.264 4.584 4.320 -0.000 0.000 0.209 130 A C 0.568 178.125 177.584 -0.044 0.000 1.168 130 A CA 0.990 52.991 52.037 -0.059 0.000 0.804 130 A CB -0.494 18.504 19.000 -0.003 0.000 0.834 130 A HN 0.606 nan 8.150 nan 0.000 0.482 131 S N -3.898 111.781 115.700 -0.036 0.000 2.567 131 S HA 0.591 5.060 4.470 -0.000 0.000 0.270 131 S C 0.618 175.187 174.600 -0.052 0.000 1.152 131 S CA -0.008 58.169 58.200 -0.038 0.000 0.835 131 S CB 0.950 64.146 63.200 -0.008 0.000 1.115 131 S HN 0.995 nan 8.310 nan 0.000 0.459 132 A N 1.753 124.531 122.820 -0.069 0.000 1.908 132 A HA 0.229 4.548 4.320 -0.000 0.000 0.218 132 A C 2.314 179.869 177.584 -0.048 0.000 1.181 132 A CA 2.161 54.141 52.037 -0.096 0.000 0.627 132 A CB -1.611 17.341 19.000 -0.080 0.000 0.818 132 A HN 1.821 nan 8.150 nan 0.000 0.445 133 A N -0.818 122.000 122.820 -0.004 0.000 2.131 133 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 133 A C 1.931 179.545 177.584 0.051 0.000 1.158 133 A CA 1.649 53.703 52.037 0.028 0.000 0.665 133 A CB -0.434 18.585 19.000 0.031 0.000 0.795 133 A HN 0.679 nan 8.150 nan 0.000 0.460 134 E N -0.184 120.049 120.200 0.056 0.000 2.371 134 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 134 E C 1.651 178.329 176.600 0.131 0.000 1.012 134 E CA 0.613 57.087 56.400 0.124 0.000 0.860 134 E CB -0.033 29.756 29.700 0.148 0.000 0.811 134 E HN 0.376 nan 8.360 nan 0.000 0.502 135 V N 1.777 121.713 119.914 0.037 0.000 2.250 135 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 135 V C -0.698 175.455 176.094 0.099 0.000 1.060 135 V CA 2.352 64.650 62.300 -0.003 0.000 1.030 135 V CB -1.532 30.161 31.823 -0.217 0.000 0.643 135 V HN 0.286 nan 8.190 nan 0.000 0.445 136 P HA -0.204 nan 4.420 nan 0.000 0.216 136 P C 1.715 179.140 177.300 0.209 0.000 1.153 136 P CA 1.851 65.062 63.100 0.184 0.000 0.858 136 P CB -0.207 31.597 31.700 0.174 0.000 0.789 137 H N -0.553 118.565 119.070 0.080 0.000 2.321 137 H HA -0.104 4.452 4.556 -0.000 0.000 0.300 137 H C 1.807 177.188 175.328 0.089 0.000 1.087 137 H CA 1.267 57.352 56.048 0.062 0.000 1.319 137 H CB -0.171 29.616 29.762 0.042 0.000 1.379 137 H HN -0.013 nan 8.280 nan 0.000 0.501 138 A N 0.934 123.808 122.820 0.090 0.000 1.940 138 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 138 A C 2.382 180.085 177.584 0.197 0.000 1.176 138 A CA 1.777 53.899 52.037 0.142 0.000 0.631 138 A CB -0.654 18.539 19.000 0.323 0.000 0.814 138 A HN 0.517 nan 8.150 nan 0.000 0.446 139 M N -0.231 119.479 119.600 0.183 0.000 2.175 139 M HA -0.069 4.411 4.480 -0.000 0.000 0.264 139 M C 2.271 178.650 176.300 0.132 0.000 1.063 139 M CA 2.019 57.437 55.300 0.196 0.000 1.119 139 M CB -0.564 32.165 32.600 0.215 0.000 1.377 139 M HN 0.393 nan 8.290 nan 0.000 0.415 140 S N -0.147 115.621 115.700 0.113 0.000 2.356 140 S HA -0.165 4.305 4.470 -0.000 0.000 0.223 140 S C 2.043 176.657 174.600 0.022 0.000 1.032 140 S CA 1.579 59.836 58.200 0.096 0.000 1.005 140 S CB -0.177 63.145 63.200 0.204 0.000 0.867 140 S HN 0.619 nan 8.310 nan 0.000 0.449 141 R N 0.786 121.215 120.500 -0.118 0.000 2.081 141 R HA -0.009 4.331 4.340 -0.000 0.000 0.235 141 R C 2.698 178.760 176.300 -0.397 0.000 1.131 141 R CA 1.338 57.189 56.100 -0.414 0.000 0.960 141 R CB -0.685 29.077 30.300 -0.895 0.000 0.856 141 R HN 0.499 nan 8.270 nan 0.000 0.436 142 A N 1.515 124.282 122.820 -0.087 0.000 1.883 142 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 142 A C 2.202 179.820 177.584 0.056 0.000 1.186 142 A CA 1.420 53.564 52.037 0.178 0.000 0.624 142 A CB -0.614 18.587 19.000 0.336 0.000 0.822 142 A HN 0.196 nan 8.150 nan 0.000 0.444 143 I N -1.066 119.490 120.570 -0.022 0.000 2.163 143 I HA -0.295 3.874 4.170 -0.000 0.000 0.243 143 I C 2.479 178.470 176.117 -0.210 0.000 1.085 143 I CA 1.566 62.791 61.300 -0.126 0.000 1.347 143 I CB -0.603 37.236 38.000 -0.268 0.000 1.044 143 I HN 0.426 nan 8.210 nan 0.000 0.408 144 H N -0.313 118.733 119.070 -0.040 0.000 2.403 144 H HA 0.007 4.563 4.556 -0.000 0.000 0.298 144 H C 2.318 177.592 175.328 -0.090 0.000 1.059 144 H CA 1.025 57.028 56.048 -0.075 0.000 1.363 144 H CB -0.097 29.602 29.762 -0.105 0.000 1.410 144 H HN 0.249 nan 8.280 nan 0.000 0.528 145 M N 0.393 119.972 119.600 -0.034 0.000 2.213 145 M HA -0.037 4.443 4.480 -0.000 0.000 0.263 145 M C 2.398 178.717 176.300 0.032 0.000 1.062 145 M CA 0.849 56.118 55.300 -0.052 0.000 1.105 145 M CB -0.827 31.694 32.600 -0.132 0.000 1.385 145 M HN 0.213 nan 8.290 nan 0.000 0.417 146 A N -1.107 121.745 122.820 0.053 0.000 1.970 146 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 146 A C 2.386 179.993 177.584 0.038 0.000 1.170 146 A CA 1.546 53.624 52.037 0.069 0.000 0.645 146 A CB -0.421 18.634 19.000 0.091 0.000 0.816 146 A HN 0.458 nan 8.150 nan 0.000 0.447 147 S N -0.347 115.368 115.700 0.025 0.000 2.425 147 S HA 0.174 4.643 4.470 -0.000 0.000 0.225 147 S C 0.892 175.495 174.600 0.005 0.000 1.024 147 S CA 0.187 58.398 58.200 0.017 0.000 0.951 147 S CB -0.244 62.966 63.200 0.016 0.000 0.796 147 S HN 0.538 nan 8.310 nan 0.000 0.498 148 M N 1.782 121.384 119.600 0.004 0.000 2.243 148 M HA 0.280 4.760 4.480 -0.000 0.000 0.341 148 M C 0.290 176.560 176.300 -0.050 0.000 1.130 148 M CA -0.382 54.907 55.300 -0.019 0.000 1.162 148 M CB 0.291 32.877 32.600 -0.023 0.000 1.497 148 M HN 0.139 nan 8.290 nan 0.000 0.456 149 A N 4.682 127.462 122.820 -0.067 0.000 2.477 149 A HA 0.426 4.746 4.320 -0.000 0.000 0.246 149 A C -2.221 175.288 177.584 -0.124 0.000 1.078 149 A CA -1.121 50.846 52.037 -0.116 0.000 0.770 149 A CB -0.683 18.254 19.000 -0.104 0.000 1.011 149 A HN 0.528 nan 8.150 nan 0.000 0.494 150 P HA 0.174 nan 4.420 nan 0.000 0.287 150 P C -0.640 176.518 177.300 -0.237 0.000 1.281 150 P CA -0.252 62.642 63.100 -0.343 0.000 0.781 150 P CB 0.800 32.204 31.700 -0.493 0.000 0.903 151 Q N 1.158 120.845 119.800 -0.189 0.000 2.474 151 Q HA 0.491 4.831 4.340 -0.000 0.000 0.256 151 Q C 0.693 176.681 176.000 -0.020 0.000 1.048 151 Q CA 0.410 56.177 55.803 -0.061 0.000 0.922 151 Q CB 0.393 29.122 28.738 -0.014 0.000 1.288 151 Q HN 0.742 nan 8.270 nan 0.000 0.484 152 G N 1.051 109.860 108.800 0.015 0.000 2.451 152 G HA2 0.323 4.283 3.960 -0.000 0.000 0.292 152 G HA3 0.323 4.283 3.960 -0.000 0.000 0.292 152 G C -3.080 171.885 174.900 0.108 0.000 1.427 152 G CA -0.885 44.231 45.100 0.025 0.000 0.792 152 G HN 0.391 nan 8.290 nan 0.000 0.498 153 P HA 0.465 nan 4.420 nan 0.000 0.279 153 P C -0.093 177.353 177.300 0.243 0.000 1.239 153 P CA -0.162 63.052 63.100 0.190 0.000 0.789 153 P CB 1.692 33.507 31.700 0.192 0.000 0.933 154 V N 0.928 120.981 119.914 0.233 0.000 3.001 154 V HA 0.625 4.745 4.120 -0.000 0.000 0.314 154 V C -1.461 174.803 176.094 0.283 0.000 1.099 154 V CA -1.105 61.376 62.300 0.301 0.000 0.989 154 V CB 2.152 34.197 31.823 0.370 0.000 1.040 154 V HN 0.489 nan 8.190 nan 0.000 0.434 155 Y N 2.920 123.264 120.300 0.074 0.000 2.361 155 Y HA 0.826 5.376 4.550 -0.000 0.000 0.337 155 Y C -1.203 174.647 175.900 -0.084 0.000 0.965 155 Y CA -1.218 56.869 58.100 -0.022 0.000 1.091 155 Y CB 2.018 40.442 38.460 -0.060 0.000 1.182 155 Y HN 0.896 nan 8.280 nan 0.000 0.450 156 L N 5.363 126.281 121.223 -0.508 0.000 2.406 156 L HA 0.604 4.944 4.340 -0.000 0.000 0.272 156 L C -1.135 175.383 176.870 -0.586 0.000 0.980 156 L CA -0.187 54.415 54.840 -0.397 0.000 0.831 156 L CB 1.921 43.927 42.059 -0.090 0.000 1.253 156 L HN 0.562 nan 8.230 nan 0.000 0.406 157 S N 4.156 119.561 115.700 -0.491 0.000 2.442 157 S HA 0.835 5.305 4.470 -0.000 0.000 0.297 157 S C -1.035 173.431 174.600 -0.223 0.000 1.131 157 S CA -0.448 57.532 58.200 -0.367 0.000 1.092 157 S CB 0.884 63.927 63.200 -0.262 0.000 0.998 157 S HN 0.465 nan 8.310 nan 0.000 0.478 158 V N 7.486 127.315 119.914 -0.141 0.000 2.443 158 V HA 0.424 4.544 4.120 -0.000 0.000 0.293 158 V C -2.482 173.565 176.094 -0.077 0.000 1.021 158 V CA -2.079 60.130 62.300 -0.151 0.000 0.848 158 V CB 1.591 33.298 31.823 -0.193 0.000 0.998 158 V HN 0.712 nan 8.190 nan 0.000 0.424 159 P HA 0.011 nan 4.420 nan 0.000 0.264 159 P C 0.311 177.585 177.300 -0.043 0.000 1.193 159 P CA 0.062 63.097 63.100 -0.108 0.000 0.763 159 P CB 0.178 31.771 31.700 -0.179 0.000 0.810 160 Y N 2.763 123.121 120.300 0.098 0.000 2.483 160 Y HA -0.145 4.405 4.550 -0.000 0.000 0.291 160 Y C 1.276 177.306 175.900 0.217 0.000 1.143 160 Y CA 1.141 59.395 58.100 0.256 0.000 1.289 160 Y CB -1.130 37.495 38.460 0.274 0.000 0.983 160 Y HN 0.288 nan 8.280 nan 0.000 0.556 161 D N -0.842 119.490 120.400 -0.113 0.000 2.340 161 D HA -0.093 4.546 4.640 -0.000 0.000 0.220 161 D C 0.548 176.841 176.300 -0.012 0.000 1.039 161 D CA 0.466 54.450 54.000 -0.026 0.000 0.866 161 D CB -0.223 40.463 40.800 -0.191 0.000 0.913 161 D HN 0.356 nan 8.370 nan 0.000 0.523 162 D N 0.598 120.922 120.400 -0.127 0.000 2.162 162 D HA -0.059 4.581 4.640 -0.000 0.000 0.203 162 D C 1.661 177.891 176.300 -0.117 0.000 0.967 162 D CA 0.563 54.434 54.000 -0.216 0.000 0.840 162 D CB -0.538 39.998 40.800 -0.441 0.000 0.972 162 D HN 0.367 nan 8.370 nan 0.000 0.482 163 W N 1.662 123.075 121.300 0.189 0.000 2.321 163 W HA -0.161 4.499 4.660 -0.000 0.000 0.306 163 W C 1.771 178.423 176.519 0.221 0.000 1.217 163 W CA 0.712 58.212 57.345 0.258 0.000 1.257 163 W CB -0.247 29.432 29.460 0.365 0.000 1.145 163 W HN -0.072 nan 8.180 nan 0.000 0.509 164 D N -0.195 120.421 120.400 0.360 0.000 2.317 164 D HA -0.046 4.594 4.640 -0.000 0.000 0.211 164 D C 0.989 177.385 176.300 0.160 0.000 0.966 164 D CA 0.834 54.972 54.000 0.230 0.000 0.876 164 D CB -0.264 40.643 40.800 0.178 0.000 0.927 164 D HN -0.043 nan 8.370 nan 0.000 0.519 165 K N 1.610 122.088 120.400 0.130 0.000 2.230 165 K HA 0.061 4.381 4.320 -0.000 0.000 0.253 165 K C 0.158 176.818 176.600 0.100 0.000 1.008 165 K CA -0.194 56.143 56.287 0.085 0.000 0.910 165 K CB 0.449 32.974 32.500 0.040 0.000 0.994 165 K HN -0.016 nan 8.250 nan 0.000 0.495 166 D N 0.446 120.893 120.400 0.079 0.000 2.382 166 D HA 0.165 4.805 4.640 -0.000 0.000 0.245 166 D C -0.085 176.266 176.300 0.086 0.000 1.120 166 D CA 0.127 54.178 54.000 0.085 0.000 0.890 166 D CB 0.872 41.711 40.800 0.065 0.000 1.201 166 D HN 0.448 nan 8.370 nan 0.000 0.433 167 A N 1.641 124.525 122.820 0.106 0.000 2.293 167 A HA 0.220 4.540 4.320 -0.000 0.000 0.302 167 A C 0.078 177.710 177.584 0.081 0.000 1.119 167 A CA -0.645 51.454 52.037 0.104 0.000 0.823 167 A CB 0.707 19.795 19.000 0.146 0.000 1.097 167 A HN 0.456 nan 8.150 nan 0.000 0.491 168 D N 1.661 122.098 120.400 0.062 0.000 2.417 168 D HA 0.207 4.847 4.640 -0.000 0.000 0.250 168 D C -1.610 174.720 176.300 0.050 0.000 1.166 168 D CA -1.582 52.445 54.000 0.045 0.000 0.881 168 D CB 1.056 41.870 40.800 0.023 0.000 1.164 168 D HN 0.109 nan 8.370 nan 0.000 0.467 169 P HA -0.151 nan 4.420 nan 0.000 0.217 169 P C 1.009 178.381 177.300 0.121 0.000 1.148 169 P CA 0.975 64.130 63.100 0.091 0.000 0.828 169 P CB 0.239 31.987 31.700 0.081 0.000 0.783 170 Q N -0.925 118.911 119.800 0.060 0.000 2.500 170 Q HA -0.004 4.336 4.340 -0.000 0.000 0.213 170 Q C 1.896 177.800 176.000 -0.161 0.000 0.974 170 Q CA 0.845 56.653 55.803 0.009 0.000 0.918 170 Q CB -0.796 27.962 28.738 0.033 0.000 0.980 170 Q HN 0.282 nan 8.270 nan 0.000 0.505 171 S N 0.463 116.078 115.700 -0.142 0.000 2.447 171 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 171 S C 1.587 175.829 174.600 -0.597 0.000 1.006 171 S CA 0.875 58.930 58.200 -0.242 0.000 0.957 171 S CB -0.348 62.790 63.200 -0.103 0.000 0.773 171 S HN 0.627 nan 8.310 nan 0.000 0.507 172 H N 0.602 119.285 119.070 -0.646 0.000 2.457 172 H HA -0.088 4.468 4.556 -0.000 0.000 0.297 172 H C 1.301 176.181 175.328 -0.747 0.000 1.092 172 H CA 1.436 56.828 56.048 -1.093 0.000 1.309 172 H CB -0.724 28.773 29.762 -0.442 0.000 1.382 172 H HN 0.488 nan 8.280 nan 0.000 0.535 173 H N 0.786 119.312 119.070 -0.907 0.000 2.543 173 H HA 0.013 4.569 4.556 -0.000 0.000 0.286 173 H C 2.335 177.503 175.328 -0.268 0.000 1.037 173 H CA 0.919 56.659 56.048 -0.513 0.000 1.250 173 H CB 0.323 29.808 29.762 -0.462 0.000 1.373 173 H HN 0.423 nan 8.280 nan 0.000 0.580 174 L N -0.863 120.227 121.223 -0.222 0.000 2.162 174 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 174 L C 2.125 179.077 176.870 0.136 0.000 1.086 174 L CA 0.131 54.954 54.840 -0.029 0.000 0.778 174 L CB -0.426 41.627 42.059 -0.011 0.000 0.928 174 L HN 0.015 nan 8.230 nan 0.000 0.446 175 F N 1.056 121.071 119.950 0.107 0.000 2.048 175 F HA -0.326 4.201 4.527 -0.000 0.000 0.296 175 F C 1.801 177.669 175.800 0.113 0.000 1.109 175 F CA 1.315 59.381 58.000 0.109 0.000 1.214 175 F CB -0.913 38.150 39.000 0.106 0.000 0.963 175 F HN 0.195 nan 8.300 nan 0.000 0.491 176 D N -0.194 120.394 120.400 0.314 0.000 2.463 176 D HA 0.067 4.707 4.640 -0.000 0.000 0.224 176 D C 0.306 176.723 176.300 0.195 0.000 1.174 176 D CA -0.075 54.062 54.000 0.227 0.000 0.829 176 D CB -0.060 40.858 40.800 0.196 0.000 0.993 176 D HN 0.165 nan 8.370 nan 0.000 0.497 177 R N 1.117 121.730 120.500 0.189 0.000 2.522 177 R HA 0.050 4.390 4.340 -0.000 0.000 0.284 177 R C 0.263 176.648 176.300 0.142 0.000 1.032 177 R CA 0.296 56.470 56.100 0.125 0.000 1.049 177 R CB 0.552 30.889 30.300 0.062 0.000 0.956 177 R HN 0.148 nan 8.270 nan 0.000 0.422 178 H N 3.336 122.417 119.070 0.019 0.000 2.638 178 H HA 0.254 4.810 4.556 -0.000 0.000 0.317 178 H C -1.285 174.014 175.328 -0.049 0.000 1.006 178 H CA -0.587 55.478 56.048 0.028 0.000 1.222 178 H CB 0.984 30.769 29.762 0.037 0.000 1.419 178 H HN 0.214 nan 8.280 nan 0.000 0.489 179 V N 4.398 124.232 119.914 -0.133 0.000 2.398 179 V HA 0.269 4.389 4.120 -0.000 0.000 0.286 179 V C 0.386 176.486 176.094 0.010 0.000 1.026 179 V CA -0.535 61.711 62.300 -0.090 0.000 0.868 179 V CB 1.441 33.106 31.823 -0.263 0.000 0.982 179 V HN 0.755 nan 8.190 nan 0.000 0.443 180 S N 2.733 118.484 115.700 0.086 0.000 2.513 180 S HA 0.618 5.087 4.470 -0.000 0.000 0.299 180 S C 0.387 175.006 174.600 0.032 0.000 1.087 180 S CA 0.089 58.347 58.200 0.096 0.000 1.012 180 S CB 1.855 65.145 63.200 0.149 0.000 1.044 180 S HN 0.989 nan 8.310 nan 0.000 0.485 181 S N 1.822 117.535 115.700 0.021 0.000 2.952 181 S HA 0.204 4.674 4.470 -0.000 0.000 0.251 181 S C 0.188 174.788 174.600 -0.001 0.000 1.021 181 S CA -0.339 57.860 58.200 -0.002 0.000 1.067 181 S CB 0.190 63.378 63.200 -0.020 0.000 1.002 181 S HN 0.537 nan 8.310 nan 0.000 0.574 182 S N 2.767 118.477 115.700 0.016 0.000 4.120 182 S HA 0.428 4.898 4.470 -0.000 0.000 0.215 182 S C 0.285 174.888 174.600 0.005 0.000 1.347 182 S CA -0.220 57.988 58.200 0.014 0.000 0.889 182 S CB -1.252 61.966 63.200 0.029 0.000 1.585 182 S HN 0.730 nan 8.310 nan 0.000 0.447 183 V N 2.605 122.517 119.914 -0.004 0.000 3.019 183 V HA 0.997 5.116 4.120 -0.000 0.000 0.317 183 V C -0.686 175.403 176.094 -0.009 0.000 1.094 183 V CA -1.372 60.924 62.300 -0.007 0.000 1.000 183 V CB 1.896 33.712 31.823 -0.011 0.000 1.060 183 V HN 0.723 nan 8.190 nan 0.000 0.443 184 R N 1.818 122.313 120.500 -0.008 0.000 2.764 184 R HA 0.740 5.080 4.340 -0.000 0.000 0.270 184 R C -1.025 175.270 176.300 -0.008 0.000 1.014 184 R CA -0.978 55.117 56.100 -0.008 0.000 0.904 184 R CB 0.608 30.905 30.300 -0.004 0.000 1.236 184 R HN 0.844 nan 8.270 nan 0.000 0.466 185 L N 2.054 123.272 121.223 -0.008 0.000 2.573 185 L HA 0.101 4.441 4.340 -0.000 0.000 0.290 185 L C -0.373 176.493 176.870 -0.006 0.000 1.247 185 L CA 0.644 55.479 54.840 -0.008 0.000 0.876 185 L CB -0.171 41.884 42.059 -0.008 0.000 1.123 185 L HN 0.936 nan 8.230 nan 0.000 0.505 186 N N 1.943 120.639 118.700 -0.007 0.000 2.381 186 N HA -0.026 4.713 4.740 -0.000 0.000 0.241 186 N C 0.451 175.958 175.510 -0.004 0.000 1.279 186 N CA 0.057 53.103 53.050 -0.006 0.000 0.896 186 N CB 0.245 38.728 38.487 -0.006 0.000 1.118 186 N HN 0.598 nan 8.380 nan 0.000 0.438 187 D N -0.075 120.323 120.400 -0.003 0.000 2.127 187 D HA -0.286 4.354 4.640 -0.000 0.000 0.190 187 D C 1.572 177.871 176.300 -0.002 0.000 1.000 187 D CA 1.641 55.639 54.000 -0.002 0.000 0.839 187 D CB -0.506 40.293 40.800 -0.002 0.000 0.955 187 D HN 0.831 nan 8.370 nan 0.000 0.446 188 Q N 0.334 120.133 119.800 -0.002 0.000 2.045 188 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 188 Q C 1.339 177.338 176.000 -0.002 0.000 0.991 188 Q CA 1.922 57.724 55.803 -0.002 0.000 0.851 188 Q CB 0.021 28.758 28.738 -0.002 0.000 0.911 188 Q HN 0.156 nan 8.270 nan 0.000 0.418 189 D N 0.229 120.628 120.400 -0.003 0.000 2.178 189 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 189 D C 1.837 178.135 176.300 -0.002 0.000 0.974 189 D CA 0.501 54.499 54.000 -0.003 0.000 0.841 189 D CB -0.141 40.656 40.800 -0.005 0.000 0.953 189 D HN 0.232 nan 8.370 nan 0.000 0.478 190 L N 1.075 122.297 121.223 -0.002 0.000 2.093 190 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 190 L C 1.364 178.234 176.870 0.001 0.000 1.085 190 L CA 1.757 56.596 54.840 -0.001 0.000 0.755 190 L CB -0.404 41.655 42.059 -0.000 0.000 0.904 190 L HN -0.157 nan 8.230 nan 0.000 0.435 191 D N -0.332 120.068 120.400 0.001 0.000 2.144 191 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 191 D C 2.342 178.644 176.300 0.003 0.000 0.984 191 D CA 1.654 55.656 54.000 0.003 0.000 0.834 191 D CB -0.038 40.764 40.800 0.002 0.000 0.955 191 D HN 0.431 nan 8.370 nan 0.000 0.465 192 I N 0.587 121.159 120.570 0.002 0.000 2.226 192 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 192 I C 2.382 178.501 176.117 0.003 0.000 1.100 192 I CA 0.503 61.804 61.300 0.002 0.000 1.374 192 I CB -0.130 37.870 38.000 0.000 0.000 1.057 192 I HN 0.021 nan 8.210 nan 0.000 0.413 193 L N 0.619 121.843 121.223 0.002 0.000 2.027 193 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 193 L C 2.425 179.299 176.870 0.006 0.000 1.074 193 L CA 1.786 56.628 54.840 0.003 0.000 0.745 193 L CB -0.587 41.473 42.059 0.001 0.000 0.898 193 L HN -0.038 nan 8.230 nan 0.000 0.433 194 V N 0.031 119.949 119.914 0.007 0.000 2.332 194 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 194 V C 2.627 178.727 176.094 0.010 0.000 1.055 194 V CA 2.194 64.499 62.300 0.009 0.000 1.038 194 V CB -0.814 31.014 31.823 0.008 0.000 0.651 194 V HN 0.475 nan 8.190 nan 0.000 0.450 195 K N 0.139 120.544 120.400 0.009 0.000 2.097 195 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 195 K C 2.324 178.931 176.600 0.011 0.000 1.049 195 K CA 1.407 57.699 56.287 0.009 0.000 0.933 195 K CB -0.405 32.099 32.500 0.007 0.000 0.717 195 K HN 0.489 nan 8.250 nan 0.000 0.442 196 A N 1.486 124.312 122.820 0.010 0.000 1.902 196 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 196 A C 2.115 179.708 177.584 0.016 0.000 1.181 196 A CA 1.234 53.278 52.037 0.012 0.000 0.623 196 A CB -0.583 18.423 19.000 0.010 0.000 0.818 196 A HN 0.146 nan 8.150 nan 0.000 0.443 197 L N -0.450 120.783 121.223 0.016 0.000 2.056 197 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 197 L C 2.188 179.071 176.870 0.022 0.000 1.078 197 L CA 1.158 56.010 54.840 0.020 0.000 0.749 197 L CB -0.666 41.404 42.059 0.018 0.000 0.901 197 L HN 0.330 nan 8.230 nan 0.000 0.433 198 N N -0.348 118.364 118.700 0.018 0.000 2.223 198 N HA -0.124 4.616 4.740 -0.000 0.000 0.185 198 N C 1.914 177.435 175.510 0.019 0.000 1.016 198 N CA 1.301 54.362 53.050 0.019 0.000 0.863 198 N CB -0.122 38.374 38.487 0.015 0.000 0.983 198 N HN 0.184 nan 8.380 nan 0.000 0.429 199 S N 0.104 115.815 115.700 0.018 0.000 2.501 199 S HA 0.211 4.681 4.470 -0.000 0.000 0.220 199 S C 0.854 175.467 174.600 0.021 0.000 0.997 199 S CA -0.208 58.003 58.200 0.017 0.000 0.919 199 S CB 0.050 63.259 63.200 0.014 0.000 0.778 199 S HN 0.424 nan 8.310 nan 0.000 0.523 200 A N 2.237 125.073 122.820 0.027 0.000 2.548 200 A HA 0.243 4.563 4.320 -0.000 0.000 0.247 200 A C 1.405 179.011 177.584 0.037 0.000 1.067 200 A CA 0.249 52.307 52.037 0.035 0.000 0.757 200 A CB 0.087 19.113 19.000 0.044 0.000 0.996 200 A HN 0.436 nan 8.150 nan 0.000 0.504 201 S N 1.524 117.244 115.700 0.034 0.000 2.446 201 S HA -0.017 4.453 4.470 -0.000 0.000 0.225 201 S C 0.720 175.342 174.600 0.038 0.000 1.016 201 S CA 0.922 59.139 58.200 0.028 0.000 0.943 201 S CB -0.124 63.086 63.200 0.016 0.000 0.786 201 S HN 0.830 nan 8.310 nan 0.000 0.508 202 N N 1.859 120.595 118.700 0.061 0.000 2.700 202 N HA 0.349 5.089 4.740 -0.000 0.000 0.242 202 N C -3.213 172.441 175.510 0.241 0.000 1.541 202 N CA -1.670 51.442 53.050 0.103 0.000 0.764 202 N CB 1.295 39.785 38.487 0.004 0.000 1.319 202 N HN 0.123 nan 8.380 nan 0.000 0.518 203 P HA 0.342 nan 4.420 nan 0.000 0.272 203 P C -1.018 176.339 177.300 0.095 0.000 1.240 203 P CA -0.297 62.883 63.100 0.133 0.000 0.791 203 P CB 1.438 33.178 31.700 0.067 0.000 0.978 204 A N 2.074 124.870 122.820 -0.040 0.000 2.486 204 A HA 0.727 5.047 4.320 -0.000 0.000 0.300 204 A C -0.854 176.686 177.584 -0.072 0.000 1.048 204 A CA -0.756 51.166 52.037 -0.193 0.000 0.696 204 A CB 1.099 19.771 19.000 -0.547 0.000 1.278 204 A HN 0.426 nan 8.150 nan 0.000 0.405 205 I N 1.615 122.151 120.570 -0.056 0.000 2.465 205 I HA 0.515 4.685 4.170 -0.000 0.000 0.291 205 I C -0.942 175.173 176.117 -0.004 0.000 1.014 205 I CA -1.009 60.265 61.300 -0.044 0.000 1.093 205 I CB 2.155 40.094 38.000 -0.102 0.000 1.267 205 I HN 0.318 nan 8.210 nan 0.000 0.431 206 V N 7.064 126.988 119.914 0.017 0.000 2.444 206 V HA 0.469 4.588 4.120 -0.000 0.000 0.294 206 V C -0.184 175.928 176.094 0.029 0.000 1.022 206 V CA -0.508 61.814 62.300 0.035 0.000 0.850 206 V CB 1.849 33.707 31.823 0.059 0.000 0.992 206 V HN 0.470 nan 8.190 nan 0.000 0.426 207 L N 4.039 125.269 121.223 0.012 0.000 2.334 207 L HA 0.868 5.208 4.340 -0.000 0.000 0.276 207 L C 0.758 177.663 176.870 0.059 0.000 1.014 207 L CA -0.307 54.556 54.840 0.039 0.000 0.815 207 L CB 1.887 43.974 42.059 0.046 0.000 1.268 207 L HN 0.745 nan 8.230 nan 0.000 0.428 208 G N 0.916 109.760 108.800 0.074 0.000 2.667 208 G HA2 0.502 4.461 3.960 -0.000 0.000 0.310 208 G HA3 0.502 4.461 3.960 -0.000 0.000 0.310 208 G C -1.986 172.977 174.900 0.106 0.000 1.259 208 G CA -1.019 44.130 45.100 0.083 0.000 1.019 208 G HN 0.419 nan 8.290 nan 0.000 0.496 209 P HA -0.124 nan 4.420 nan 0.000 0.216 209 P C 0.679 178.056 177.300 0.129 0.000 1.150 209 P CA 1.178 64.359 63.100 0.136 0.000 0.837 209 P CB 0.244 32.023 31.700 0.132 0.000 0.786 210 D N -0.358 120.118 120.400 0.128 0.000 2.309 210 D HA -0.078 4.562 4.640 -0.000 0.000 0.212 210 D C 2.034 178.382 176.300 0.080 0.000 0.968 210 D CA 0.666 54.733 54.000 0.111 0.000 0.882 210 D CB -0.292 40.566 40.800 0.098 0.000 0.918 210 D HN 0.090 nan 8.370 nan 0.000 0.503 211 V N 1.060 121.025 119.914 0.084 0.000 2.307 211 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 211 V C 2.202 178.343 176.094 0.078 0.000 1.045 211 V CA 1.849 64.196 62.300 0.078 0.000 1.024 211 V CB -0.356 31.524 31.823 0.095 0.000 0.651 211 V HN 0.070 nan 8.190 nan 0.000 0.449 212 D N 0.067 120.521 120.400 0.090 0.000 2.144 212 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 212 D C 2.091 178.440 176.300 0.081 0.000 0.978 212 D CA 1.363 55.410 54.000 0.078 0.000 0.833 212 D CB -0.115 40.730 40.800 0.074 0.000 0.961 212 D HN 0.361 nan 8.370 nan 0.000 0.470 213 A N 0.315 123.191 122.820 0.095 0.000 1.933 213 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 213 A C 2.233 179.854 177.584 0.062 0.000 1.175 213 A CA 1.900 53.993 52.037 0.094 0.000 0.628 213 A CB -0.789 18.273 19.000 0.102 0.000 0.814 213 A HN 0.302 nan 8.150 nan 0.000 0.444 214 A N -1.253 121.598 122.820 0.051 0.000 2.251 214 A HA 0.255 4.575 4.320 -0.000 0.000 0.209 214 A C 0.911 178.515 177.584 0.033 0.000 1.187 214 A CA 0.806 52.863 52.037 0.034 0.000 0.823 214 A CB -0.639 18.377 19.000 0.026 0.000 0.846 214 A HN 0.830 nan 8.150 nan 0.000 0.486 215 N N -2.158 116.566 118.700 0.039 0.000 2.740 215 N HA -0.227 4.513 4.740 -0.000 0.000 0.248 215 N C 0.405 175.930 175.510 0.025 0.000 1.062 215 N CA 1.012 54.080 53.050 0.030 0.000 0.704 215 N CB -1.332 37.169 38.487 0.022 0.000 0.968 215 N HN 0.548 nan 8.380 nan 0.000 0.547 216 A N -0.621 122.220 122.820 0.035 0.000 2.345 216 A HA 0.218 4.538 4.320 -0.000 0.000 0.225 216 A C 1.632 179.243 177.584 0.045 0.000 1.243 216 A CA 0.419 52.478 52.037 0.036 0.000 0.875 216 A CB -0.062 18.963 19.000 0.041 0.000 0.929 216 A HN 0.533 nan 8.150 nan 0.000 0.502 217 N N 1.932 120.654 118.700 0.036 0.000 2.018 217 N HA -0.221 4.519 4.740 -0.000 0.000 0.196 217 N C 1.898 177.394 175.510 -0.023 0.000 1.043 217 N CA 2.066 55.130 53.050 0.024 0.000 0.856 217 N CB -0.537 37.937 38.487 -0.021 0.000 1.042 217 N HN 0.451 nan 8.380 nan 0.000 0.423 218 A N 1.211 124.008 122.820 -0.038 0.000 1.873 218 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 218 A C 1.792 179.368 177.584 -0.014 0.000 1.193 218 A CA 2.063 54.071 52.037 -0.049 0.000 0.629 218 A CB -0.834 18.147 19.000 -0.031 0.000 0.826 218 A HN 0.210 nan 8.150 nan 0.000 0.447 219 D N -0.684 119.723 120.400 0.013 0.000 2.182 219 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 219 D C 2.001 178.336 176.300 0.058 0.000 0.986 219 D CA 1.364 55.382 54.000 0.030 0.000 0.847 219 D CB -0.523 40.294 40.800 0.029 0.000 0.942 219 D HN 0.466 nan 8.370 nan 0.000 0.467 220 C N 0.037 119.392 119.300 0.091 0.000 2.457 220 C HA -0.032 4.428 4.460 -0.000 0.000 0.278 220 C C 2.910 178.063 174.990 0.272 0.000 1.309 220 C CA -0.031 59.089 59.018 0.169 0.000 1.735 220 C CB -0.693 27.186 27.740 0.231 0.000 1.992 220 C HN 0.167 nan 8.230 nan 0.000 0.493 221 V N 1.059 121.069 119.914 0.160 0.000 2.295 221 V HA -0.320 3.799 4.120 -0.000 0.000 0.246 221 V C 2.394 178.535 176.094 0.078 0.000 1.049 221 V CA 2.482 64.786 62.300 0.006 0.000 1.024 221 V CB -0.686 30.967 31.823 -0.284 0.000 0.648 221 V HN 0.625 nan 8.190 nan 0.000 0.447 222 M N -0.287 119.347 119.600 0.057 0.000 2.065 222 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 222 M C 2.070 178.413 176.300 0.072 0.000 1.069 222 M CA 2.170 57.507 55.300 0.062 0.000 1.110 222 M CB -0.439 32.185 32.600 0.040 0.000 1.328 222 M HN 0.292 nan 8.290 nan 0.000 0.405 223 L N 0.860 122.125 121.223 0.069 0.000 2.043 223 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 223 L C 2.433 179.339 176.870 0.059 0.000 1.075 223 L CA 2.431 57.305 54.840 0.057 0.000 0.752 223 L CB -1.189 40.901 42.059 0.051 0.000 0.891 223 L HN 0.436 nan 8.230 nan 0.000 0.432 224 A N -0.986 121.882 122.820 0.079 0.000 1.930 224 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 224 A C 2.134 179.773 177.584 0.090 0.000 1.175 224 A CA 1.725 53.796 52.037 0.055 0.000 0.627 224 A CB -0.579 18.447 19.000 0.043 0.000 0.815 224 A HN 0.646 nan 8.150 nan 0.000 0.443 225 E N -0.508 119.768 120.200 0.127 0.000 2.107 225 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 225 E C 2.268 178.921 176.600 0.088 0.000 0.982 225 E CA 0.723 57.208 56.400 0.142 0.000 0.809 225 E CB -0.147 29.653 29.700 0.165 0.000 0.756 225 E HN 0.416 nan 8.360 nan 0.000 0.459 226 R N 0.769 121.310 120.500 0.069 0.000 2.073 226 R HA -0.074 4.265 4.340 -0.000 0.000 0.234 226 R C 2.348 178.675 176.300 0.045 0.000 1.134 226 R CA 0.967 57.097 56.100 0.050 0.000 0.952 226 R CB -0.766 29.559 30.300 0.042 0.000 0.850 226 R HN 0.249 nan 8.270 nan 0.000 0.433 227 L N 1.452 122.701 121.223 0.044 0.000 2.552 227 L HA 0.036 4.375 4.340 -0.000 0.000 0.227 227 L C 0.143 177.040 176.870 0.045 0.000 1.146 227 L CA 0.167 55.030 54.840 0.039 0.000 0.858 227 L CB -0.220 41.858 42.059 0.032 0.000 0.969 227 L HN 0.061 nan 8.230 nan 0.000 0.451 228 K N -0.136 120.297 120.400 0.054 0.000 3.148 228 K HA -0.181 4.139 4.320 -0.000 0.000 0.267 228 K C -0.031 176.600 176.600 0.052 0.000 0.996 228 K CA 0.879 57.201 56.287 0.059 0.000 0.737 228 K CB -1.896 30.634 32.500 0.050 0.000 1.308 228 K HN 0.364 nan 8.250 nan 0.000 0.470 229 A N 0.936 123.777 122.820 0.036 0.000 2.337 229 A HA 0.732 5.051 4.320 -0.000 0.000 0.331 229 A C -2.221 175.330 177.584 -0.054 0.000 1.137 229 A CA -1.477 50.565 52.037 0.009 0.000 0.807 229 A CB 1.238 20.236 19.000 -0.003 0.000 1.250 229 A HN -0.008 nan 8.150 nan 0.000 0.468 230 P HA 0.338 nan 4.420 nan 0.000 0.275 230 P C -0.819 176.262 177.300 -0.365 0.000 1.228 230 P CA -0.020 62.932 63.100 -0.247 0.000 0.786 230 P CB 1.136 32.690 31.700 -0.244 0.000 0.927 231 V N 3.006 122.586 119.914 -0.558 0.000 2.487 231 V HA 0.370 4.490 4.120 -0.000 0.000 0.298 231 V C -0.561 175.120 176.094 -0.688 0.000 1.028 231 V CA -0.279 61.673 62.300 -0.580 0.000 0.860 231 V CB 1.246 32.507 31.823 -0.938 0.000 0.991 231 V HN 0.592 nan 8.190 nan 0.000 0.427 232 W N 2.602 123.668 121.300 -0.390 0.000 2.719 232 W HA 0.756 5.416 4.660 -0.000 0.000 0.352 232 W C -0.554 175.785 176.519 -0.300 0.000 1.085 232 W CA -0.911 56.178 57.345 -0.426 0.000 1.187 232 W CB 1.527 30.752 29.460 -0.393 0.000 1.417 232 W HN 0.276 nan 8.180 nan 0.000 0.557 233 V N 2.853 122.723 119.914 -0.073 0.000 2.439 233 V HA 0.586 4.706 4.120 -0.000 0.000 0.282 233 V C 0.557 176.538 176.094 -0.189 0.000 1.039 233 V CA -1.272 60.961 62.300 -0.112 0.000 0.913 233 V CB 0.448 32.097 31.823 -0.290 0.000 0.983 233 V HN 0.693 nan 8.190 nan 0.000 0.460 234 A N 8.425 131.174 122.820 -0.119 0.000 2.555 234 A HA 0.366 4.686 4.320 -0.000 0.000 0.233 234 A C -1.797 175.669 177.584 -0.196 0.000 1.060 234 A CA -0.650 51.297 52.037 -0.149 0.000 0.759 234 A CB -0.423 18.574 19.000 -0.004 0.000 0.995 234 A HN 0.707 nan 8.150 nan 0.000 0.506 235 P HA 0.036 nan 4.420 nan 0.000 0.268 235 P C 0.038 177.287 177.300 -0.085 0.000 1.208 235 P CA 0.721 63.708 63.100 -0.187 0.000 0.777 235 P CB 0.507 32.105 31.700 -0.169 0.000 0.875 236 S N -1.394 114.266 115.700 -0.066 0.000 3.635 236 S HA -0.182 4.288 4.470 -0.000 0.000 0.328 236 S C 0.671 175.323 174.600 0.087 0.000 1.135 236 S CA 0.711 58.930 58.200 0.032 0.000 0.942 236 S CB -2.210 61.063 63.200 0.122 0.000 0.930 236 S HN 0.977 nan 8.310 nan 0.000 0.512 237 A N 0.794 123.620 122.820 0.010 0.000 2.563 237 A HA 0.297 4.617 4.320 -0.000 0.000 0.256 237 A C -0.597 177.251 177.584 0.441 0.000 1.056 237 A CA -0.128 52.009 52.037 0.168 0.000 0.775 237 A CB 0.061 19.108 19.000 0.080 0.000 0.973 237 A HN 0.323 nan 8.150 nan 0.000 0.516 238 P HA 0.073 nan 4.420 nan 0.000 0.235 238 P C 0.214 177.741 177.300 0.378 0.000 1.177 238 P CA 0.786 64.115 63.100 0.382 0.000 0.785 238 P CB 0.367 32.180 31.700 0.188 0.000 0.885 239 R N -2.687 118.050 120.500 0.395 0.000 2.795 239 R HA 0.546 4.885 4.340 -0.000 0.000 0.268 239 R C -1.447 175.110 176.300 0.428 0.000 1.041 239 R CA -0.805 55.473 56.100 0.296 0.000 0.927 239 R CB 1.038 31.398 30.300 0.101 0.000 1.235 239 R HN -0.155 nan 8.270 nan 0.000 0.463 240 C N 2.947 122.415 119.300 0.279 0.000 2.264 240 C HA 0.526 4.985 4.460 -0.000 0.000 0.324 240 C C -1.707 173.386 174.990 0.172 0.000 1.267 240 C CA -1.879 57.316 59.018 0.295 0.000 1.618 240 C CB 0.673 28.433 27.740 0.034 0.000 2.278 240 C HN 0.625 nan 8.230 nan 0.000 0.499 241 P HA 0.223 nan 4.420 nan 0.000 0.268 241 P C -0.332 177.116 177.300 0.247 0.000 1.329 241 P CA 0.228 63.437 63.100 0.181 0.000 0.899 241 P CB 0.106 31.913 31.700 0.179 0.000 1.378 242 F N 1.724 121.645 119.950 -0.047 0.000 2.665 242 F HA 0.447 4.974 4.527 -0.000 0.000 0.308 242 F C -2.615 173.008 175.800 -0.296 0.000 1.112 242 F CA -2.284 55.634 58.000 -0.138 0.000 0.972 242 F CB 2.148 41.101 39.000 -0.078 0.000 1.295 242 F HN -0.334 nan 8.300 nan 0.000 0.440 243 P HA 0.070 nan 4.420 nan 0.000 0.271 243 P C 0.471 177.521 177.300 -0.416 0.000 1.233 243 P CA 0.159 63.041 63.100 -0.364 0.000 0.764 243 P CB 0.755 32.262 31.700 -0.322 0.000 0.825 244 T N 0.900 115.138 114.554 -0.526 0.000 3.139 244 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 244 T C 1.124 175.759 174.700 -0.108 0.000 1.164 244 T CA 0.701 62.372 62.100 -0.715 0.000 1.075 244 T CB -0.360 68.298 68.868 -0.351 0.000 0.904 244 T HN 0.243 nan 8.240 nan 0.000 0.540 245 R N 0.213 120.690 120.500 -0.039 0.000 2.535 245 R HA 0.205 4.545 4.340 -0.000 0.000 0.323 245 R C 0.244 176.602 176.300 0.096 0.000 0.979 245 R CA -0.357 55.779 56.100 0.060 0.000 1.120 245 R CB -0.308 29.995 30.300 0.006 0.000 1.306 245 R HN 0.596 nan 8.270 nan 0.000 0.540 246 H N 3.420 122.513 119.070 0.038 0.000 2.815 246 H HA 0.069 4.625 4.556 -0.000 0.000 0.350 246 H C -1.384 174.031 175.328 0.145 0.000 1.080 246 H CA -1.234 54.852 56.048 0.064 0.000 1.433 246 H CB 1.606 31.393 29.762 0.042 0.000 1.432 246 H HN -0.131 nan 8.280 nan 0.000 0.592 247 P HA -0.175 nan 4.420 nan 0.000 0.217 247 P C 1.355 178.792 177.300 0.228 0.000 1.148 247 P CA 1.239 64.369 63.100 0.050 0.000 0.834 247 P CB -0.052 31.589 31.700 -0.097 0.000 0.783 248 C N -2.299 117.352 119.300 0.584 0.000 2.464 248 C HA 0.133 4.593 4.460 -0.000 0.000 0.278 248 C C 1.478 176.509 174.990 0.069 0.000 1.375 248 C CA -0.632 58.549 59.018 0.272 0.000 1.761 248 C CB -1.882 25.995 27.740 0.227 0.000 1.944 248 C HN 0.108 nan 8.230 nan 0.000 0.509 249 F N 2.322 122.317 119.950 0.075 0.000 2.623 249 F HA 0.086 4.613 4.527 -0.000 0.000 0.383 249 F C 1.289 176.906 175.800 -0.305 0.000 1.077 249 F CA 0.543 58.475 58.000 -0.113 0.000 1.268 249 F CB 0.452 39.527 39.000 0.124 0.000 1.053 249 F HN 0.044 nan 8.300 nan 0.000 0.571 250 R N 3.823 123.566 120.500 -1.261 0.000 2.565 250 R HA 0.306 4.645 4.340 -0.000 0.000 0.347 250 R C 0.620 176.137 176.300 -1.306 0.000 1.010 250 R CA 0.351 55.627 56.100 -1.375 0.000 1.126 250 R CB -0.009 28.966 30.300 -2.207 0.000 1.331 250 R HN 0.971 nan 8.270 nan 0.000 0.552 251 G N 1.314 109.009 108.800 -1.842 0.000 2.698 251 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.225 251 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.225 251 G C -0.919 173.607 174.900 -0.624 0.000 1.345 251 G CA -0.489 43.972 45.100 -1.065 0.000 0.871 251 G HN 0.198 nan 8.290 nan 0.000 0.540 252 L N 0.762 121.685 121.223 -0.500 0.000 2.319 252 L HA 0.693 5.033 4.340 -0.000 0.000 0.280 252 L C 1.083 177.752 176.870 -0.336 0.000 1.099 252 L CA -0.209 54.253 54.840 -0.630 0.000 0.828 252 L CB 0.534 41.948 42.059 -1.074 0.000 1.150 252 L HN 0.605 nan 8.230 nan 0.000 0.442 253 M N 7.811 127.230 119.600 -0.301 0.000 2.228 253 M HA 0.273 4.753 4.480 -0.000 0.000 0.351 253 M C -1.992 174.140 176.300 -0.281 0.000 1.233 253 M CA -1.512 53.599 55.300 -0.315 0.000 1.129 253 M CB 0.469 32.795 32.600 -0.455 0.000 1.604 253 M HN 0.494 nan 8.290 nan 0.000 0.457 254 P HA 0.101 nan 4.420 nan 0.000 0.275 254 P C -0.712 176.530 177.300 -0.096 0.000 1.227 254 P CA -0.216 62.790 63.100 -0.156 0.000 0.781 254 P CB 0.577 32.199 31.700 -0.130 0.000 0.906 255 A N 2.903 125.717 122.820 -0.010 0.000 2.900 255 A HA 0.425 4.745 4.320 -0.000 0.000 0.246 255 A C 0.926 178.667 177.584 0.261 0.000 1.725 255 A CA 0.107 52.227 52.037 0.138 0.000 1.400 255 A CB -1.422 17.713 19.000 0.226 0.000 0.973 255 A HN 0.640 nan 8.150 nan 0.000 0.635 256 G N -0.811 108.097 108.800 0.181 0.000 2.542 256 G HA2 0.490 4.450 3.960 -0.000 0.000 0.311 256 G HA3 0.490 4.450 3.960 -0.000 0.000 0.311 256 G C 0.651 175.547 174.900 -0.007 0.000 1.298 256 G CA -0.643 44.501 45.100 0.073 0.000 0.973 256 G HN 0.177 nan 8.290 nan 0.000 0.487 257 I N 1.636 121.982 120.570 -0.373 0.000 2.099 257 I HA -0.258 3.912 4.170 -0.000 0.000 0.239 257 I C 3.091 179.102 176.117 -0.177 0.000 1.066 257 I CA 1.861 62.887 61.300 -0.458 0.000 1.324 257 I CB -0.140 37.468 38.000 -0.653 0.000 1.037 257 I HN 0.559 nan 8.210 nan 0.000 0.401 258 A N 0.733 123.425 122.820 -0.214 0.000 1.877 258 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 258 A C 2.560 180.070 177.584 -0.124 0.000 1.186 258 A CA 2.030 53.970 52.037 -0.161 0.000 0.620 258 A CB -1.039 17.856 19.000 -0.175 0.000 0.822 258 A HN 0.460 nan 8.150 nan 0.000 0.443 259 A N -0.144 122.604 122.820 -0.121 0.000 1.917 259 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 259 A C 2.153 179.630 177.584 -0.179 0.000 1.182 259 A CA 1.808 53.767 52.037 -0.130 0.000 0.633 259 A CB -0.647 18.283 19.000 -0.116 0.000 0.819 259 A HN 0.534 nan 8.150 nan 0.000 0.448 260 I N 0.338 120.811 120.570 -0.162 0.000 2.286 260 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 260 I C 2.822 178.826 176.117 -0.189 0.000 1.104 260 I CA 1.449 62.596 61.300 -0.255 0.000 1.397 260 I CB -0.287 37.565 38.000 -0.248 0.000 1.072 260 I HN 0.521 nan 8.210 nan 0.000 0.417 261 S N 0.176 115.835 115.700 -0.069 0.000 2.423 261 S HA -0.247 4.223 4.470 -0.000 0.000 0.231 261 S C 1.898 176.459 174.600 -0.066 0.000 1.014 261 S CA 1.014 59.198 58.200 -0.028 0.000 0.965 261 S CB -0.303 62.900 63.200 0.005 0.000 0.785 261 S HN 0.348 nan 8.310 nan 0.000 0.495 262 Q N 1.080 120.820 119.800 -0.100 0.000 2.049 262 Q HA 0.114 4.454 4.340 -0.000 0.000 0.198 262 Q C 1.970 177.904 176.000 -0.109 0.000 0.971 262 Q CA 1.192 56.940 55.803 -0.092 0.000 0.833 262 Q CB -0.815 27.865 28.738 -0.098 0.000 0.896 262 Q HN 0.458 nan 8.270 nan 0.000 0.434 263 L N -0.136 120.962 121.223 -0.209 0.000 2.042 263 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 263 L C 2.016 178.774 176.870 -0.185 0.000 1.076 263 L CA 1.648 56.300 54.840 -0.314 0.000 0.749 263 L CB -0.608 41.009 42.059 -0.738 0.000 0.893 263 L HN 0.312 nan 8.230 nan 0.000 0.432 264 L N -1.060 120.060 121.223 -0.172 0.000 2.552 264 L HA -0.026 4.314 4.340 -0.000 0.000 0.227 264 L C 1.019 177.969 176.870 0.133 0.000 1.146 264 L CA -0.168 54.673 54.840 0.001 0.000 0.858 264 L CB -0.422 41.603 42.059 -0.056 0.000 0.969 264 L HN 0.263 nan 8.230 nan 0.000 0.451 265 E N 0.554 120.781 120.200 0.045 0.000 2.452 265 E HA 0.107 4.457 4.350 -0.000 0.000 0.261 265 E C 1.129 177.719 176.600 -0.017 0.000 0.987 265 E CA 0.846 57.257 56.400 0.018 0.000 0.926 265 E CB 0.387 30.080 29.700 -0.013 0.000 0.934 265 E HN 0.298 nan 8.360 nan 0.000 0.452 266 G N 4.094 112.864 108.800 -0.051 0.000 2.234 266 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.235 266 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.235 266 G C -0.116 174.645 174.900 -0.231 0.000 0.997 266 G CA 0.046 45.056 45.100 -0.150 0.000 0.623 266 G HN 0.710 nan 8.290 nan 0.000 0.514 267 H N 1.843 120.923 119.070 0.017 0.000 2.594 267 H HA 0.263 4.819 4.556 -0.000 0.000 0.304 267 H C 1.192 176.532 175.328 0.020 0.000 1.068 267 H CA 0.248 56.311 56.048 0.025 0.000 1.308 267 H CB 1.445 31.229 29.762 0.036 0.000 1.409 267 H HN 0.470 nan 8.280 nan 0.000 0.460 268 D N 2.444 122.907 120.400 0.104 0.000 2.144 268 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 268 D C 0.479 176.823 176.300 0.072 0.000 0.978 268 D CA 0.591 54.632 54.000 0.067 0.000 0.833 268 D CB 0.364 41.189 40.800 0.042 0.000 0.961 268 D HN 0.112 nan 8.370 nan 0.000 0.470 269 V N 1.137 121.104 119.914 0.088 0.000 2.525 269 V HA 0.295 4.414 4.120 -0.000 0.000 0.299 269 V C -0.502 175.630 176.094 0.062 0.000 1.034 269 V CA -0.977 61.361 62.300 0.063 0.000 0.863 269 V CB 2.472 34.322 31.823 0.046 0.000 0.999 269 V HN -0.067 nan 8.190 nan 0.000 0.423 270 V N 6.105 126.048 119.914 0.048 0.000 2.357 270 V HA 0.450 4.570 4.120 -0.000 0.000 0.284 270 V C -0.384 175.726 176.094 0.026 0.000 1.018 270 V CA -0.566 61.754 62.300 0.032 0.000 0.841 270 V CB 1.619 33.471 31.823 0.048 0.000 0.991 270 V HN 0.658 nan 8.190 nan 0.000 0.437 271 L N 7.484 128.716 121.223 0.016 0.000 2.265 271 L HA 0.614 4.954 4.340 -0.000 0.000 0.289 271 L C -0.344 176.539 176.870 0.021 0.000 1.033 271 L CA 0.217 55.064 54.840 0.013 0.000 0.814 271 L CB 1.422 43.485 42.059 0.007 0.000 1.203 271 L HN 0.439 nan 8.230 nan 0.000 0.423 272 V N 6.910 126.837 119.914 0.023 0.000 2.398 272 V HA 0.497 4.617 4.120 -0.000 0.000 0.286 272 V C 0.145 176.251 176.094 0.019 0.000 1.026 272 V CA -0.413 61.912 62.300 0.042 0.000 0.868 272 V CB 1.414 33.266 31.823 0.050 0.000 0.982 272 V HN 0.601 nan 8.190 nan 0.000 0.443 273 I N 3.233 123.821 120.570 0.030 0.000 2.466 273 I HA 0.584 4.754 4.170 -0.000 0.000 0.289 273 I C 1.008 177.147 176.117 0.038 0.000 1.026 273 I CA -0.583 60.732 61.300 0.025 0.000 1.078 273 I CB 1.833 39.849 38.000 0.027 0.000 1.249 273 I HN 0.826 nan 8.210 nan 0.000 0.429 274 G N 4.542 113.360 108.800 0.030 0.000 2.323 274 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.292 274 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.292 274 G C -0.061 174.879 174.900 0.067 0.000 1.040 274 G CA 0.432 45.559 45.100 0.045 0.000 0.942 274 G HN 1.087 nan 8.290 nan 0.000 0.506 275 A N -0.865 121.987 122.820 0.053 0.000 2.594 275 A HA 0.917 5.237 4.320 -0.000 0.000 0.295 275 A C -2.926 174.672 177.584 0.023 0.000 1.071 275 A CA -1.337 50.736 52.037 0.060 0.000 0.685 275 A CB 1.776 20.827 19.000 0.084 0.000 1.285 275 A HN 0.098 nan 8.150 nan 0.000 0.405 276 P HA 0.389 nan 4.420 nan 0.000 0.274 276 P C -0.734 176.492 177.300 -0.122 0.000 1.231 276 P CA -0.231 62.843 63.100 -0.043 0.000 0.790 276 P CB 1.004 32.689 31.700 -0.025 0.000 0.951 277 V N 3.910 123.643 119.914 -0.301 0.000 2.259 277 V HA 0.388 4.508 4.120 -0.000 0.000 0.267 277 V C -0.423 175.333 176.094 -0.563 0.000 1.051 277 V CA 0.065 61.905 62.300 -0.766 0.000 0.830 277 V CB -1.204 30.131 31.823 -0.813 0.000 1.080 277 V HN 0.460 nan 8.190 nan 0.000 0.467 278 F N 2.014 121.715 119.950 -0.415 0.000 2.599 278 F HA 0.563 5.090 4.527 -0.000 0.000 0.311 278 F C 0.473 175.906 175.800 -0.611 0.000 1.076 278 F CA -1.312 56.346 58.000 -0.570 0.000 0.937 278 F CB 2.181 40.672 39.000 -0.849 0.000 1.282 278 F HN 0.151 nan 8.300 nan 0.000 0.460 279 R N 2.422 122.842 120.500 -0.132 0.000 3.688 279 R HA 0.191 4.531 4.340 -0.000 0.000 0.194 279 R C -1.289 174.998 176.300 -0.023 0.000 1.677 279 R CA 0.023 56.087 56.100 -0.060 0.000 1.351 279 R CB -1.131 29.171 30.300 0.003 0.000 1.338 279 R HN 0.432 nan 8.270 nan 0.000 0.731 280 Y N 0.632 121.035 120.300 0.171 0.000 2.385 280 Y HA 0.014 4.564 4.550 -0.000 0.000 0.346 280 Y C 1.555 177.589 175.900 0.223 0.000 1.270 280 Y CA 0.195 58.404 58.100 0.182 0.000 1.472 280 Y CB 0.472 39.051 38.460 0.199 0.000 1.354 280 Y HN 0.490 nan 8.280 nan 0.000 0.611 281 H N -0.283 118.987 119.070 0.335 0.000 3.539 281 H HA 0.074 4.630 4.556 -0.000 0.000 0.134 281 H C -0.071 175.462 175.328 0.341 0.000 1.139 281 H CA 0.406 56.632 56.048 0.296 0.000 1.031 281 H CB -0.029 29.902 29.762 0.282 0.000 1.174 281 H HN 0.677 nan 8.280 nan 0.000 0.297 282 Q N 1.138 121.243 119.800 0.508 0.000 2.454 282 Q HA -0.051 4.289 4.340 -0.000 0.000 0.247 282 Q C -0.797 175.412 176.000 0.348 0.000 1.028 282 Q CA -0.206 55.855 55.803 0.430 0.000 0.910 282 Q CB 0.437 29.332 28.738 0.263 0.000 1.276 282 Q HN 0.464 nan 8.270 nan 0.000 0.489 283 Y N 1.592 121.995 120.300 0.172 0.000 2.556 283 Y HA 0.180 4.730 4.550 -0.000 0.000 0.352 283 Y C -0.929 174.982 175.900 0.018 0.000 1.006 283 Y CA -0.788 57.357 58.100 0.076 0.000 1.277 283 Y CB 0.375 38.873 38.460 0.065 0.000 1.136 283 Y HN 0.726 nan 8.280 nan 0.000 0.523 284 D N 8.999 129.181 120.400 -0.363 0.000 2.607 284 D HA 0.263 4.903 4.640 -0.000 0.000 0.318 284 D C -2.886 173.106 176.300 -0.514 0.000 1.212 284 D CA -2.202 51.577 54.000 -0.368 0.000 0.861 284 D CB 0.636 41.331 40.800 -0.175 0.000 1.064 284 D HN 0.251 nan 8.370 nan 0.000 0.500 285 P HA 0.323 nan 4.420 nan 0.000 0.265 285 P C 0.439 177.514 177.300 -0.375 0.000 1.187 285 P CA 0.402 63.133 63.100 -0.617 0.000 0.766 285 P CB 1.477 32.787 31.700 -0.650 0.000 0.820 286 G N 1.756 110.352 108.800 -0.341 0.000 2.399 286 G HA2 0.103 4.063 3.960 -0.000 0.000 0.256 286 G HA3 0.103 4.063 3.960 -0.000 0.000 0.256 286 G C -1.640 173.085 174.900 -0.291 0.000 1.236 286 G CA -0.655 44.290 45.100 -0.259 0.000 0.914 286 G HN 0.475 nan 8.290 nan 0.000 0.482 287 Q N -0.539 119.138 119.800 -0.205 0.000 2.259 287 Q HA 0.458 4.798 4.340 -0.000 0.000 0.249 287 Q C 0.288 176.215 176.000 -0.122 0.000 0.914 287 Q CA -0.552 55.150 55.803 -0.169 0.000 0.904 287 Q CB 1.776 30.473 28.738 -0.069 0.000 1.213 287 Q HN 0.566 nan 8.270 nan 0.000 0.428 288 Y N 1.105 121.408 120.300 0.005 0.000 2.242 288 Y HA -0.077 4.473 4.550 -0.000 0.000 0.291 288 Y C 0.549 176.501 175.900 0.087 0.000 1.137 288 Y CA 0.540 58.680 58.100 0.066 0.000 1.181 288 Y CB 0.529 39.033 38.460 0.073 0.000 0.989 288 Y HN 0.368 nan 8.280 nan 0.000 0.527 289 L N 0.094 121.436 121.223 0.198 0.000 2.472 289 L HA 0.330 4.670 4.340 -0.000 0.000 0.260 289 L C -0.849 176.060 176.870 0.065 0.000 0.963 289 L CA -1.244 53.671 54.840 0.125 0.000 0.829 289 L CB 1.961 44.093 42.059 0.121 0.000 1.348 289 L HN -0.256 nan 8.230 nan 0.000 0.408 290 K N 1.842 122.265 120.400 0.039 0.000 2.237 290 K HA 0.368 4.688 4.320 -0.000 0.000 0.270 290 K C -2.370 174.243 176.600 0.021 0.000 1.015 290 K CA -1.708 54.589 56.287 0.016 0.000 0.949 290 K CB 0.633 33.134 32.500 0.002 0.000 0.976 290 K HN 0.196 nan 8.250 nan 0.000 0.472 291 P HA -0.030 nan 4.420 nan 0.000 0.265 291 P C 0.648 177.955 177.300 0.012 0.000 1.187 291 P CA 0.901 64.009 63.100 0.013 0.000 0.766 291 P CB 0.409 32.112 31.700 0.005 0.000 0.820 292 G N 1.203 110.012 108.800 0.016 0.000 2.234 292 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.235 292 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.235 292 G C 0.210 175.126 174.900 0.027 0.000 0.997 292 G CA -0.026 45.083 45.100 0.015 0.000 0.623 292 G HN 0.620 nan 8.290 nan 0.000 0.514 293 T N 1.470 116.046 114.554 0.037 0.000 2.795 293 T HA 0.618 4.968 4.350 -0.000 0.000 0.282 293 T C 0.033 174.761 174.700 0.047 0.000 0.980 293 T CA -0.331 61.801 62.100 0.054 0.000 1.012 293 T CB 1.883 70.791 68.868 0.067 0.000 0.936 293 T HN 0.532 nan 8.240 nan 0.000 0.457 294 R N 3.566 124.093 120.500 0.045 0.000 2.562 294 R HA 0.697 5.037 4.340 -0.000 0.000 0.298 294 R C -1.506 174.812 176.300 0.031 0.000 0.961 294 R CA -0.770 55.348 56.100 0.031 0.000 0.881 294 R CB 1.130 31.444 30.300 0.025 0.000 1.159 294 R HN 0.592 nan 8.270 nan 0.000 0.450 295 L N 5.507 126.738 121.223 0.014 0.000 2.346 295 L HA 0.599 4.939 4.340 -0.000 0.000 0.276 295 L C -1.327 175.529 176.870 -0.022 0.000 1.006 295 L CA -0.767 54.074 54.840 0.001 0.000 0.817 295 L CB 1.662 43.714 42.059 -0.012 0.000 1.272 295 L HN 0.665 nan 8.230 nan 0.000 0.421 296 I N 3.696 124.254 120.570 -0.019 0.000 2.447 296 I HA 0.318 4.488 4.170 -0.000 0.000 0.287 296 I C -0.553 175.542 176.117 -0.037 0.000 1.023 296 I CA -0.330 60.954 61.300 -0.027 0.000 1.083 296 I CB 2.071 40.065 38.000 -0.011 0.000 1.245 296 I HN 0.522 nan 8.210 nan 0.000 0.434 297 S N 5.732 121.398 115.700 -0.057 0.000 2.454 297 S HA 0.647 5.116 4.470 -0.000 0.000 0.306 297 S C -0.802 173.771 174.600 -0.044 0.000 1.100 297 S CA -0.471 57.691 58.200 -0.063 0.000 1.087 297 S CB 1.341 64.474 63.200 -0.111 0.000 1.019 297 S HN 0.325 nan 8.310 nan 0.000 0.480 298 V N 4.819 124.715 119.914 -0.030 0.000 2.313 298 V HA 0.560 4.680 4.120 -0.000 0.000 0.278 298 V C 0.393 176.473 176.094 -0.023 0.000 1.017 298 V CA -0.458 61.828 62.300 -0.023 0.000 0.823 298 V CB 1.018 32.835 31.823 -0.011 0.000 1.010 298 V HN 0.943 nan 8.190 nan 0.000 0.443 299 T N 3.199 117.734 114.554 -0.032 0.000 2.916 299 T HA 0.291 4.641 4.350 -0.000 0.000 0.292 299 T C 0.824 175.492 174.700 -0.053 0.000 1.055 299 T CA -0.092 61.987 62.100 -0.034 0.000 1.009 299 T CB 1.474 70.322 68.868 -0.035 0.000 1.118 299 T HN 0.826 nan 8.240 nan 0.000 0.497 300 C N 1.346 120.596 119.300 -0.084 0.000 2.791 300 C HA 0.497 4.957 4.460 -0.000 0.000 0.270 300 C C 0.363 175.251 174.990 -0.170 0.000 1.257 300 C CA -0.533 58.406 59.018 -0.132 0.000 1.699 300 C CB -1.198 26.432 27.740 -0.183 0.000 1.904 300 C HN 0.736 nan 8.230 nan 0.000 0.603 301 D N 1.185 121.508 120.400 -0.127 0.000 2.471 301 D HA 0.363 5.002 4.640 -0.000 0.000 0.245 301 D C -1.947 174.330 176.300 -0.038 0.000 1.116 301 D CA -1.771 52.171 54.000 -0.097 0.000 0.853 301 D CB 2.169 42.952 40.800 -0.029 0.000 1.123 301 D HN -0.091 nan 8.370 nan 0.000 0.540 302 P HA -0.079 nan 4.420 nan 0.000 0.216 302 P C 1.745 179.049 177.300 0.006 0.000 1.150 302 P CA 0.808 63.900 63.100 -0.012 0.000 0.843 302 P CB 0.392 32.089 31.700 -0.004 0.000 0.787 303 L N -0.807 120.434 121.223 0.030 0.000 2.191 303 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 303 L C 2.340 179.233 176.870 0.038 0.000 1.103 303 L CA 1.505 56.380 54.840 0.058 0.000 0.769 303 L CB -0.693 41.436 42.059 0.118 0.000 0.908 303 L HN 0.074 nan 8.230 nan 0.000 0.438 304 E N -0.074 120.139 120.200 0.022 0.000 2.046 304 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 304 E C 2.327 178.904 176.600 -0.038 0.000 0.982 304 E CA 0.987 57.386 56.400 -0.002 0.000 0.800 304 E CB -0.085 29.619 29.700 0.006 0.000 0.756 304 E HN 0.458 nan 8.360 nan 0.000 0.449 305 A N 1.246 124.044 122.820 -0.037 0.000 1.972 305 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 305 A C 2.299 179.853 177.584 -0.049 0.000 1.169 305 A CA 1.668 53.673 52.037 -0.052 0.000 0.635 305 A CB -0.519 18.456 19.000 -0.042 0.000 0.810 305 A HN 0.303 nan 8.150 nan 0.000 0.446 306 A N 0.792 123.595 122.820 -0.028 0.000 1.898 306 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 306 A C 2.169 179.736 177.584 -0.030 0.000 1.181 306 A CA 1.501 53.525 52.037 -0.021 0.000 0.620 306 A CB -0.435 18.565 19.000 0.000 0.000 0.819 306 A HN 0.693 nan 8.150 nan 0.000 0.442 307 R N -0.325 120.159 120.500 -0.027 0.000 2.299 307 R HA 0.416 4.756 4.340 -0.000 0.000 0.197 307 R C 0.753 177.004 176.300 -0.082 0.000 0.971 307 R CA 0.559 56.639 56.100 -0.033 0.000 1.030 307 R CB -0.552 29.747 30.300 -0.001 0.000 0.932 307 R HN 0.273 nan 8.270 nan 0.000 0.477 308 A N 3.619 126.367 122.820 -0.119 0.000 2.545 308 A HA 0.127 4.447 4.320 -0.000 0.000 0.253 308 A C -1.411 176.041 177.584 -0.220 0.000 1.074 308 A CA -1.124 50.793 52.037 -0.200 0.000 0.760 308 A CB 0.148 19.021 19.000 -0.213 0.000 1.005 308 A HN 0.298 nan 8.150 nan 0.000 0.506 309 P HA 0.029 nan 4.420 nan 0.000 0.245 309 P C -0.141 176.940 177.300 -0.365 0.000 1.212 309 P CA 0.770 63.617 63.100 -0.422 0.000 0.774 309 P CB -0.113 31.065 31.700 -0.869 0.000 0.999 310 M N -3.014 116.411 119.600 -0.291 0.000 2.833 310 M HA 0.582 5.061 4.480 -0.000 0.000 0.270 310 M C -0.423 175.791 176.300 -0.143 0.000 1.209 310 M CA -0.074 55.125 55.300 -0.168 0.000 0.826 310 M CB 1.065 33.596 32.600 -0.116 0.000 1.657 310 M HN 0.031 nan 8.290 nan 0.000 0.492 311 G N 1.539 110.289 108.800 -0.083 0.000 2.829 311 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.628 311 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.628 311 G C -1.313 173.545 174.900 -0.068 0.000 1.412 311 G CA -0.085 44.972 45.100 -0.071 0.000 0.864 311 G HN 1.017 nan 8.290 nan 0.000 0.544 312 D N 0.026 120.394 120.400 -0.053 0.000 2.388 312 D HA 0.752 5.392 4.640 -0.000 0.000 0.254 312 D C 0.667 176.933 176.300 -0.056 0.000 1.111 312 D CA 0.870 54.843 54.000 -0.046 0.000 0.993 312 D CB 1.650 42.432 40.800 -0.030 0.000 1.118 312 D HN 1.292 nan 8.370 nan 0.000 0.502 313 A N 0.363 123.155 122.820 -0.048 0.000 2.572 313 A HA 0.699 5.019 4.320 -0.000 0.000 0.295 313 A C -1.267 176.295 177.584 -0.036 0.000 1.072 313 A CA -0.615 51.392 52.037 -0.050 0.000 0.691 313 A CB 1.251 20.215 19.000 -0.061 0.000 1.291 313 A HN 0.452 nan 8.150 nan 0.000 0.404 314 I N 1.568 122.117 120.570 -0.034 0.000 2.468 314 I HA 0.343 4.513 4.170 -0.000 0.000 0.285 314 I C -0.931 175.167 176.117 -0.030 0.000 1.039 314 I CA -0.873 60.411 61.300 -0.027 0.000 1.074 314 I CB 2.130 40.117 38.000 -0.022 0.000 1.228 314 I HN 0.315 nan 8.210 nan 0.000 0.436 315 V N 5.935 125.830 119.914 -0.030 0.000 2.348 315 V HA 0.819 4.939 4.120 -0.000 0.000 0.270 315 V C 0.375 176.448 176.094 -0.034 0.000 1.037 315 V CA -0.025 62.254 62.300 -0.036 0.000 0.872 315 V CB 0.559 32.361 31.823 -0.035 0.000 1.002 315 V HN 0.894 nan 8.190 nan 0.000 0.464 316 A N 3.718 126.516 122.820 -0.037 0.000 2.493 316 A HA 0.625 4.945 4.320 -0.000 0.000 0.300 316 A C -1.164 176.398 177.584 -0.037 0.000 1.152 316 A CA -0.759 51.258 52.037 -0.033 0.000 0.643 316 A CB 0.950 19.936 19.000 -0.022 0.000 1.316 316 A HN 0.667 nan 8.150 nan 0.000 0.469 317 D N 0.219 120.602 120.400 -0.029 0.000 2.383 317 D HA 0.296 4.936 4.640 -0.000 0.000 0.252 317 D C 1.127 177.417 176.300 -0.018 0.000 1.166 317 D CA -0.308 53.675 54.000 -0.027 0.000 0.879 317 D CB 0.337 41.127 40.800 -0.016 0.000 1.164 317 D HN 0.282 nan 8.370 nan 0.000 0.462 318 I N 3.761 124.320 120.570 -0.018 0.000 2.286 318 I HA -0.079 4.091 4.170 -0.000 0.000 0.248 318 I C 2.231 178.353 176.117 0.008 0.000 1.115 318 I CA 1.105 62.404 61.300 -0.002 0.000 1.392 318 I CB -1.547 36.455 38.000 0.005 0.000 1.065 318 I HN 0.655 nan 8.210 nan 0.000 0.418 319 G N 0.737 109.541 108.800 0.008 0.000 2.414 319 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 319 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 319 G C 1.890 176.797 174.900 0.011 0.000 1.188 319 G CA 1.070 46.178 45.100 0.013 0.000 0.783 319 G HN 0.471 nan 8.290 nan 0.000 0.537 320 A N 0.513 123.337 122.820 0.007 0.000 1.883 320 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 320 A C 2.472 180.059 177.584 0.005 0.000 1.186 320 A CA 2.254 54.294 52.037 0.005 0.000 0.624 320 A CB -0.390 18.611 19.000 0.002 0.000 0.822 320 A HN 0.302 nan 8.150 nan 0.000 0.444 321 M N -0.554 119.048 119.600 0.003 0.000 2.086 321 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 321 M C 2.576 178.882 176.300 0.011 0.000 1.067 321 M CA 1.634 56.936 55.300 0.004 0.000 1.116 321 M CB -1.607 30.993 32.600 0.000 0.000 1.348 321 M HN 0.494 nan 8.290 nan 0.000 0.407 322 A N -0.380 122.449 122.820 0.015 0.000 1.883 322 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 322 A C 2.505 180.103 177.584 0.022 0.000 1.186 322 A CA 2.506 54.557 52.037 0.023 0.000 0.624 322 A CB -1.046 17.973 19.000 0.031 0.000 0.822 322 A HN 0.516 nan 8.150 nan 0.000 0.444 323 S N -0.469 115.242 115.700 0.018 0.000 2.348 323 S HA -0.062 4.408 4.470 -0.000 0.000 0.221 323 S C 2.247 176.855 174.600 0.014 0.000 1.033 323 S CA 1.808 60.017 58.200 0.015 0.000 1.010 323 S CB -0.638 62.569 63.200 0.012 0.000 0.891 323 S HN 0.924 nan 8.310 nan 0.000 0.442 324 A N 1.672 124.499 122.820 0.011 0.000 1.873 324 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 324 A C 2.316 179.907 177.584 0.011 0.000 1.193 324 A CA 1.844 53.887 52.037 0.009 0.000 0.629 324 A CB -1.081 17.923 19.000 0.006 0.000 0.826 324 A HN 0.597 nan 8.150 nan 0.000 0.447 325 L N -0.939 120.292 121.223 0.013 0.000 2.017 325 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 325 L C 3.124 180.005 176.870 0.019 0.000 1.073 325 L CA 1.154 56.003 54.840 0.015 0.000 0.745 325 L CB -0.627 41.441 42.059 0.016 0.000 0.894 325 L HN 0.456 nan 8.230 nan 0.000 0.432 326 A N 0.178 123.011 122.820 0.022 0.000 1.978 326 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 326 A C 1.821 179.418 177.584 0.022 0.000 1.170 326 A CA 1.907 53.960 52.037 0.026 0.000 0.636 326 A CB -0.484 18.533 19.000 0.029 0.000 0.810 326 A HN 0.522 nan 8.150 nan 0.000 0.448 327 N N -0.909 117.801 118.700 0.017 0.000 2.280 327 N HA 0.191 4.931 4.740 -0.000 0.000 0.192 327 N C 1.086 176.604 175.510 0.013 0.000 1.109 327 N CA 0.407 53.466 53.050 0.014 0.000 0.855 327 N CB 0.390 38.884 38.487 0.011 0.000 0.974 327 N HN 0.491 nan 8.380 nan 0.000 0.482 328 L N 0.188 121.419 121.223 0.014 0.000 2.577 328 L HA 0.187 4.527 4.340 -0.000 0.000 0.225 328 L C 0.634 177.512 176.870 0.014 0.000 1.053 328 L CA 0.031 54.878 54.840 0.012 0.000 0.866 328 L CB 0.136 42.201 42.059 0.010 0.000 1.132 328 L HN -0.106 nan 8.230 nan 0.000 0.486 329 V N -0.744 119.179 119.914 0.016 0.000 2.872 329 V HA 0.081 4.200 4.120 -0.000 0.000 0.307 329 V C 0.177 176.282 176.094 0.019 0.000 1.072 329 V CA -0.730 61.581 62.300 0.018 0.000 1.148 329 V CB 0.263 32.099 31.823 0.021 0.000 0.954 329 V HN 0.193 nan 8.190 nan 0.000 0.490 330 E N 1.651 121.862 120.200 0.018 0.000 2.349 330 E HA 0.291 4.641 4.350 -0.000 0.000 0.262 330 E C -0.353 176.260 176.600 0.022 0.000 1.088 330 E CA -0.523 55.888 56.400 0.018 0.000 0.899 330 E CB 0.877 30.587 29.700 0.016 0.000 1.044 330 E HN 0.908 nan 8.360 nan 0.000 0.420 331 E N 1.512 121.724 120.200 0.021 0.000 2.104 331 E HA 0.030 4.380 4.350 -0.000 0.000 0.278 331 E C -0.668 175.947 176.600 0.024 0.000 1.127 331 E CA -0.091 56.324 56.400 0.025 0.000 0.897 331 E CB 0.573 30.286 29.700 0.022 0.000 1.043 331 E HN 0.325 nan 8.360 nan 0.000 0.410 332 S N 3.084 118.801 115.700 0.027 0.000 2.572 332 S HA 0.024 4.494 4.470 -0.000 0.000 0.279 332 S C 1.042 175.657 174.600 0.024 0.000 1.341 332 S CA 0.141 58.357 58.200 0.026 0.000 1.043 332 S CB 0.545 63.763 63.200 0.030 0.000 0.887 332 S HN 0.657 nan 8.310 nan 0.000 0.516 333 S N 4.061 119.773 115.700 0.020 0.000 2.562 333 S HA 0.170 4.640 4.470 -0.000 0.000 0.221 333 S C 0.735 175.346 174.600 0.019 0.000 0.975 333 S CA -0.286 57.924 58.200 0.018 0.000 0.918 333 S CB -0.147 63.061 63.200 0.014 0.000 0.772 333 S HN 0.711 nan 8.310 nan 0.000 0.531 334 R N 1.516 122.030 120.500 0.022 0.000 2.827 334 R HA 0.169 4.509 4.340 -0.000 0.000 0.269 334 R C 0.076 176.390 176.300 0.024 0.000 1.048 334 R CA -0.096 56.017 56.100 0.023 0.000 1.173 334 R CB 0.186 30.503 30.300 0.028 0.000 1.070 334 R HN 0.349 nan 8.270 nan 0.000 0.498 335 Q N 1.617 121.430 119.800 0.021 0.000 2.313 335 Q HA 0.057 4.397 4.340 -0.000 0.000 0.266 335 Q C -0.241 175.776 176.000 0.027 0.000 0.989 335 Q CA -0.322 55.493 55.803 0.020 0.000 0.890 335 Q CB 0.818 29.565 28.738 0.014 0.000 1.200 335 Q HN 0.284 nan 8.270 nan 0.000 0.396 336 L N 5.180 126.421 121.223 0.029 0.000 2.490 336 L HA 0.151 4.491 4.340 -0.000 0.000 0.274 336 L C -2.106 174.784 176.870 0.035 0.000 1.201 336 L CA -0.795 54.070 54.840 0.042 0.000 0.869 336 L CB 0.038 42.121 42.059 0.040 0.000 1.123 336 L HN 0.427 nan 8.230 nan 0.000 0.484 337 P HA 0.049 nan 4.420 nan 0.000 0.266 337 P C -0.979 176.331 177.300 0.017 0.000 1.193 337 P CA 0.048 63.164 63.100 0.027 0.000 0.770 337 P CB 0.267 31.981 31.700 0.022 0.000 0.836 338 T N 1.840 116.395 114.554 0.002 0.000 2.856 338 T HA 0.431 4.781 4.350 -0.000 0.000 0.292 338 T C 0.344 175.040 174.700 -0.007 0.000 0.980 338 T CA -0.330 61.767 62.100 -0.005 0.000 1.091 338 T CB 0.553 69.416 68.868 -0.008 0.000 0.936 338 T HN 0.463 nan 8.240 nan 0.000 0.503 339 A N 2.710 125.527 122.820 -0.005 0.000 2.531 339 A HA 0.528 4.848 4.320 -0.000 0.000 0.236 339 A C 0.872 178.454 177.584 -0.003 0.000 1.062 339 A CA -0.425 51.616 52.037 0.006 0.000 0.760 339 A CB -0.247 18.754 19.000 0.001 0.000 0.995 339 A HN 1.083 nan 8.150 nan 0.000 0.501 340 A N 3.860 126.678 122.820 -0.003 0.000 2.445 340 A HA 0.541 4.861 4.320 -0.000 0.000 0.242 340 A C -1.360 176.223 177.584 -0.002 0.000 1.075 340 A CA -0.869 51.155 52.037 -0.021 0.000 0.777 340 A CB -0.526 18.449 19.000 -0.042 0.000 1.013 340 A HN 0.809 nan 8.150 nan 0.000 0.493 341 P HA 0.157 nan 4.420 nan 0.000 0.272 341 P C -0.479 176.824 177.300 0.006 0.000 1.223 341 P CA -0.346 62.754 63.100 -0.001 0.000 0.784 341 P CB 0.557 32.254 31.700 -0.004 0.000 0.923 342 E N 2.295 122.500 120.200 0.008 0.000 2.413 342 E HA 0.105 4.455 4.350 -0.000 0.000 0.263 342 E C -1.536 175.070 176.600 0.011 0.000 1.015 342 E CA -0.965 55.443 56.400 0.012 0.000 0.916 342 E CB -0.289 29.418 29.700 0.011 0.000 0.947 342 E HN 0.445 nan 8.360 nan 0.000 0.440 343 P HA 0.079 nan 4.420 nan 0.000 0.269 343 P C -0.690 176.617 177.300 0.012 0.000 1.215 343 P CA -0.271 62.836 63.100 0.012 0.000 0.780 343 P CB 0.588 32.299 31.700 0.017 0.000 0.898 344 A N 2.707 125.531 122.820 0.007 0.000 2.425 344 A HA 0.135 4.455 4.320 -0.000 0.000 0.242 344 A C 0.583 178.170 177.584 0.006 0.000 1.077 344 A CA -0.165 51.874 52.037 0.004 0.000 0.781 344 A CB -0.067 18.932 19.000 -0.002 0.000 1.020 344 A HN 0.525 nan 8.150 nan 0.000 0.494 345 K N 2.706 123.109 120.400 0.004 0.000 2.267 345 K HA 0.359 4.679 4.320 -0.000 0.000 0.282 345 K C -0.644 175.950 176.600 -0.010 0.000 1.078 345 K CA -0.131 56.160 56.287 0.006 0.000 0.903 345 K CB 0.421 32.926 32.500 0.010 0.000 1.111 345 K HN 0.441 nan 8.250 nan 0.000 0.475 346 V N 3.742 123.642 119.914 -0.023 0.000 2.811 346 V HA -0.024 4.096 4.120 -0.000 0.000 0.302 346 V C 0.495 176.546 176.094 -0.072 0.000 1.063 346 V CA -0.319 61.936 62.300 -0.076 0.000 1.088 346 V CB 0.770 32.510 31.823 -0.140 0.000 0.982 346 V HN 0.711 nan 8.190 nan 0.000 0.485 347 D N 2.915 123.258 120.400 -0.095 0.000 2.455 347 D HA 0.256 4.896 4.640 -0.000 0.000 0.241 347 D C -0.054 176.252 176.300 0.010 0.000 1.138 347 D CA 0.366 54.344 54.000 -0.037 0.000 0.877 347 D CB 0.994 41.778 40.800 -0.026 0.000 1.187 347 D HN 0.535 nan 8.370 nan 0.000 0.451 348 Q N 2.205 122.052 119.800 0.078 0.000 2.295 348 Q HA 0.208 4.548 4.340 -0.000 0.000 0.259 348 Q C -1.335 174.724 176.000 0.099 0.000 0.966 348 Q CA -0.758 55.139 55.803 0.157 0.000 0.763 348 Q CB 0.999 29.819 28.738 0.137 0.000 1.283 348 Q HN 0.379 nan 8.270 nan 0.000 0.445 349 D N 1.887 122.346 120.400 0.098 0.000 2.425 349 D HA 0.346 4.986 4.640 -0.000 0.000 0.274 349 D C 0.307 176.629 176.300 0.038 0.000 1.242 349 D CA -0.010 54.024 54.000 0.056 0.000 1.060 349 D CB 0.394 41.224 40.800 0.050 0.000 1.112 349 D HN 0.436 nan 8.370 nan 0.000 0.561 350 A N -1.128 121.707 122.820 0.025 0.000 2.302 350 A HA 0.467 4.787 4.320 -0.000 0.000 0.219 350 A C 0.988 178.576 177.584 0.007 0.000 1.243 350 A CA 0.386 52.433 52.037 0.016 0.000 0.856 350 A CB -1.115 17.894 19.000 0.015 0.000 0.893 350 A HN 0.534 nan 8.150 nan 0.000 0.491 351 G N -0.638 108.163 108.800 0.001 0.000 2.849 351 G HA2 0.434 4.394 3.960 -0.000 0.000 0.174 351 G HA3 0.434 4.394 3.960 -0.000 0.000 0.174 351 G C -0.039 174.839 174.900 -0.035 0.000 1.370 351 G CA -1.046 44.046 45.100 -0.014 0.000 1.040 351 G HN 0.429 nan 8.290 nan 0.000 0.582 352 R N -0.764 119.703 120.500 -0.056 0.000 2.697 352 R HA 0.135 4.475 4.340 -0.000 0.000 0.265 352 R C -0.626 175.591 176.300 -0.137 0.000 1.009 352 R CA -0.061 55.990 56.100 -0.081 0.000 1.099 352 R CB 0.065 30.314 30.300 -0.085 0.000 0.965 352 R HN 0.138 nan 8.270 nan 0.000 0.428 353 L N 2.666 123.820 121.223 -0.116 0.000 2.375 353 L HA 0.207 4.547 4.340 -0.000 0.000 0.271 353 L C 0.666 177.437 176.870 -0.165 0.000 1.107 353 L CA -0.104 54.667 54.840 -0.114 0.000 0.806 353 L CB 0.547 42.571 42.059 -0.059 0.000 1.146 353 L HN 0.370 nan 8.230 nan 0.000 0.447 354 H N 2.151 121.211 119.070 -0.017 0.000 2.525 354 H HA 0.157 4.713 4.556 -0.000 0.000 0.339 354 H C -1.642 173.660 175.328 -0.043 0.000 1.109 354 H CA -1.608 54.435 56.048 -0.007 0.000 1.352 354 H CB 1.410 31.179 29.762 0.013 0.000 1.461 354 H HN 0.376 nan 8.280 nan 0.000 0.533 355 P HA -0.174 nan 4.420 nan 0.000 0.216 355 P C 1.047 178.318 177.300 -0.047 0.000 1.153 355 P CA 1.390 64.453 63.100 -0.063 0.000 0.858 355 P CB 0.464 32.228 31.700 0.106 0.000 0.789 356 E N -1.057 119.236 120.200 0.154 0.000 2.070 356 E HA -0.171 4.178 4.350 -0.000 0.000 0.197 356 E C 2.017 178.683 176.600 0.111 0.000 1.004 356 E CA 1.896 58.411 56.400 0.192 0.000 0.805 356 E CB -1.576 28.195 29.700 0.118 0.000 0.744 356 E HN 0.232 nan 8.360 nan 0.000 0.451 357 T N 0.354 114.951 114.554 0.073 0.000 2.684 357 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 357 T C 2.008 176.700 174.700 -0.013 0.000 1.036 357 T CA 1.421 63.548 62.100 0.045 0.000 1.148 357 T CB -0.405 68.502 68.868 0.066 0.000 0.863 357 T HN -0.026 nan 8.240 nan 0.000 0.436 358 V N 0.810 120.651 119.914 -0.121 0.000 2.255 358 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 358 V C 2.101 178.086 176.094 -0.181 0.000 1.051 358 V CA 1.793 63.962 62.300 -0.218 0.000 1.018 358 V CB -0.887 30.684 31.823 -0.421 0.000 0.641 358 V HN 0.483 nan 8.190 nan 0.000 0.445 359 F N 0.287 120.247 119.950 0.016 0.000 2.134 359 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 359 F C 2.421 178.211 175.800 -0.016 0.000 1.097 359 F CA 1.485 59.473 58.000 -0.021 0.000 1.264 359 F CB -0.465 38.509 39.000 -0.044 0.000 1.001 359 F HN 0.183 nan 8.300 nan 0.000 0.479 360 D N -0.191 120.306 120.400 0.162 0.000 2.123 360 D HA -0.139 4.501 4.640 -0.000 0.000 0.196 360 D C 2.257 178.602 176.300 0.075 0.000 0.992 360 D CA 1.816 55.875 54.000 0.098 0.000 0.833 360 D CB -0.801 40.043 40.800 0.074 0.000 0.954 360 D HN 0.167 nan 8.370 nan 0.000 0.455 361 T N 1.024 115.613 114.554 0.058 0.000 2.708 361 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 361 T C 2.235 176.977 174.700 0.070 0.000 1.037 361 T CA 0.498 62.627 62.100 0.048 0.000 1.146 361 T CB -0.344 68.540 68.868 0.026 0.000 0.865 361 T HN 0.108 nan 8.240 nan 0.000 0.435 362 L N 1.252 122.531 121.223 0.094 0.000 2.042 362 L HA -0.160 4.179 4.340 -0.000 0.000 0.210 362 L C 2.717 179.687 176.870 0.167 0.000 1.076 362 L CA 1.320 56.251 54.840 0.153 0.000 0.749 362 L CB -0.602 41.595 42.059 0.230 0.000 0.893 362 L HN 0.405 nan 8.230 nan 0.000 0.432 363 N N -0.284 118.494 118.700 0.130 0.000 2.104 363 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 363 N C 1.273 176.834 175.510 0.084 0.000 1.024 363 N CA 1.537 54.648 53.050 0.103 0.000 0.853 363 N CB 0.105 38.625 38.487 0.056 0.000 1.008 363 N HN 0.334 nan 8.380 nan 0.000 0.424 364 D N 0.278 120.719 120.400 0.068 0.000 2.149 364 D HA -0.079 4.560 4.640 -0.000 0.000 0.201 364 D C 1.823 178.151 176.300 0.048 0.000 0.972 364 D CA 1.027 55.057 54.000 0.049 0.000 0.835 364 D CB -0.025 40.799 40.800 0.040 0.000 0.966 364 D HN 0.445 nan 8.370 nan 0.000 0.476 365 M N 0.258 119.892 119.600 0.056 0.000 2.486 365 M HA 0.174 4.654 4.480 -0.000 0.000 0.264 365 M C 0.945 177.272 176.300 0.044 0.000 1.125 365 M CA -0.011 55.315 55.300 0.045 0.000 1.144 365 M CB 0.436 33.061 32.600 0.040 0.000 1.353 365 M HN -0.193 nan 8.290 nan 0.000 0.466 366 A N 2.640 125.502 122.820 0.070 0.000 2.425 366 A HA 0.383 4.703 4.320 -0.000 0.000 0.249 366 A C -2.065 175.533 177.584 0.024 0.000 1.084 366 A CA -1.196 50.869 52.037 0.047 0.000 0.781 366 A CB -0.661 18.398 19.000 0.097 0.000 1.019 366 A HN 0.126 nan 8.150 nan 0.000 0.490 367 P HA 0.054 nan 4.420 nan 0.000 0.269 367 P C 0.159 177.452 177.300 -0.012 0.000 1.215 367 P CA -0.035 63.054 63.100 -0.018 0.000 0.780 367 P CB 0.526 32.203 31.700 -0.037 0.000 0.898 368 E N 1.291 121.489 120.200 -0.005 0.000 2.333 368 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 368 E C 0.808 177.401 176.600 -0.011 0.000 1.007 368 E CA 0.895 57.296 56.400 0.001 0.000 0.845 368 E CB -0.278 29.419 29.700 -0.005 0.000 0.766 368 E HN 0.532 nan 8.360 nan 0.000 0.507 369 N N 0.598 119.280 118.700 -0.030 0.000 2.328 369 N HA 0.143 4.883 4.740 -0.000 0.000 0.247 369 N C -0.206 175.262 175.510 -0.071 0.000 1.165 369 N CA -0.138 52.889 53.050 -0.039 0.000 0.873 369 N CB 0.249 38.715 38.487 -0.034 0.000 1.125 369 N HN -0.059 nan 8.380 nan 0.000 0.513 370 A N 0.786 123.539 122.820 -0.113 0.000 2.406 370 A HA 0.490 4.810 4.320 -0.000 0.000 0.243 370 A C 0.092 177.505 177.584 -0.284 0.000 1.082 370 A CA -0.176 51.713 52.037 -0.246 0.000 0.786 370 A CB 0.180 18.942 19.000 -0.397 0.000 1.029 370 A HN 0.398 nan 8.150 nan 0.000 0.495 371 I N 1.028 121.407 120.570 -0.319 0.000 2.389 371 I HA 0.324 4.494 4.170 -0.000 0.000 0.288 371 I C -1.235 174.732 176.117 -0.251 0.000 0.999 371 I CA -0.237 60.963 61.300 -0.167 0.000 1.129 371 I CB 1.256 39.249 38.000 -0.013 0.000 1.288 371 I HN 0.616 nan 8.210 nan 0.000 0.444 372 Y N 6.058 126.379 120.300 0.036 0.000 2.387 372 Y HA 0.653 5.203 4.550 -0.000 0.000 0.330 372 Y C -0.378 175.528 175.900 0.011 0.000 1.133 372 Y CA -0.821 57.298 58.100 0.032 0.000 1.152 372 Y CB 1.528 40.019 38.460 0.050 0.000 1.215 372 Y HN 0.331 nan 8.280 nan 0.000 0.466 373 L N 2.576 123.901 121.223 0.171 0.000 2.386 373 L HA 0.400 4.739 4.340 -0.000 0.000 0.271 373 L C -0.632 176.304 176.870 0.110 0.000 0.993 373 L CA -0.500 54.389 54.840 0.081 0.000 0.819 373 L CB 1.957 44.052 42.059 0.060 0.000 1.294 373 L HN 0.667 nan 8.230 nan 0.000 0.414 374 N N 1.994 120.744 118.700 0.083 0.000 2.399 374 N HA 0.327 5.067 4.740 -0.000 0.000 0.280 374 N C -0.813 174.911 175.510 0.358 0.000 1.008 374 N CA -0.224 52.979 53.050 0.256 0.000 0.894 374 N CB 1.267 39.952 38.487 0.331 0.000 1.273 374 N HN 0.762 nan 8.380 nan 0.000 0.486 375 E N 2.453 122.830 120.200 0.295 0.000 3.843 375 E HA 0.047 4.396 4.350 -0.000 0.000 0.189 375 E C -1.323 175.429 176.600 0.252 0.000 1.013 375 E CA -0.098 56.452 56.400 0.251 0.000 1.395 375 E CB 0.467 30.265 29.700 0.163 0.000 1.136 375 E HN 0.359 nan 8.360 nan 0.000 0.444 376 S N 0.448 116.328 115.700 0.300 0.000 2.217 376 S HA 0.053 4.523 4.470 -0.000 0.000 0.168 376 S C 1.431 176.204 174.600 0.290 0.000 1.526 376 S CA 0.127 58.488 58.200 0.268 0.000 1.150 376 S CB 0.054 63.425 63.200 0.284 0.000 1.158 376 S HN 0.467 nan 8.310 nan 0.000 0.473 377 T N 0.303 115.033 114.554 0.293 0.000 2.795 377 T HA -0.208 4.142 4.350 -0.000 0.000 0.266 377 T C 1.633 176.463 174.700 0.217 0.000 1.056 377 T CA 2.036 64.318 62.100 0.302 0.000 1.141 377 T CB -0.694 68.342 68.868 0.281 0.000 0.840 377 T HN 0.693 nan 8.240 nan 0.000 0.493 378 S N 0.581 116.389 115.700 0.180 0.000 2.556 378 S HA 0.163 4.633 4.470 -0.000 0.000 0.216 378 S C 1.555 176.195 174.600 0.067 0.000 0.970 378 S CA 0.250 58.503 58.200 0.090 0.000 0.912 378 S CB -0.174 63.100 63.200 0.122 0.000 0.790 378 S HN 0.781 nan 8.310 nan 0.000 0.504 379 T N -3.080 111.562 114.554 0.148 0.000 3.091 379 T HA 0.208 4.558 4.350 -0.000 0.000 0.277 379 T C 1.241 176.017 174.700 0.127 0.000 0.996 379 T CA 0.270 62.488 62.100 0.197 0.000 0.897 379 T CB -0.248 68.856 68.868 0.393 0.000 1.109 379 T HN 0.148 nan 8.240 nan 0.000 0.534 380 T N 2.389 116.993 114.554 0.083 0.000 2.665 380 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 380 T C 2.375 177.093 174.700 0.031 0.000 1.035 380 T CA 1.772 63.906 62.100 0.057 0.000 1.151 380 T CB -0.738 68.139 68.868 0.015 0.000 0.862 380 T HN 0.647 nan 8.240 nan 0.000 0.438 381 A N 1.435 124.237 122.820 -0.029 0.000 1.865 381 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 381 A C 2.326 179.889 177.584 -0.035 0.000 1.191 381 A CA 1.839 53.852 52.037 -0.041 0.000 0.623 381 A CB -0.770 18.174 19.000 -0.094 0.000 0.826 381 A HN 0.480 nan 8.150 nan 0.000 0.444 382 Q N -0.932 118.842 119.800 -0.043 0.000 2.124 382 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 382 Q C 2.115 177.949 176.000 -0.276 0.000 0.977 382 Q CA 1.696 57.474 55.803 -0.043 0.000 0.850 382 Q CB -0.489 28.321 28.738 0.119 0.000 0.901 382 Q HN 0.782 nan 8.270 nan 0.000 0.429 383 M N -1.142 118.066 119.600 -0.653 0.000 2.080 383 M HA -0.200 4.280 4.480 -0.000 0.000 0.260 383 M C 1.173 177.097 176.300 -0.627 0.000 1.068 383 M CA 1.683 56.228 55.300 -1.259 0.000 1.109 383 M CB -0.166 31.688 32.600 -1.244 0.000 1.342 383 M HN 0.306 nan 8.290 nan 0.000 0.405 384 W N 0.724 121.766 121.300 -0.429 0.000 2.421 384 W HA -0.163 4.496 4.660 -0.000 0.000 0.270 384 W C 2.298 178.704 176.519 -0.188 0.000 1.233 384 W CA 1.264 58.418 57.345 -0.317 0.000 1.226 384 W CB -0.029 29.272 29.460 -0.265 0.000 1.121 384 W HN 0.402 nan 8.180 nan 0.000 0.579 385 Q N -0.935 118.881 119.800 0.027 0.000 2.250 385 Q HA 0.020 4.360 4.340 -0.000 0.000 0.200 385 Q C 1.809 177.800 176.000 -0.015 0.000 0.941 385 Q CA 0.742 56.565 55.803 0.033 0.000 0.872 385 Q CB -0.013 28.734 28.738 0.015 0.000 0.965 385 Q HN 0.255 nan 8.270 nan 0.000 0.480 386 R N -0.259 120.188 120.500 -0.089 0.000 2.334 386 R HA 0.240 4.580 4.340 -0.000 0.000 0.216 386 R C -0.130 176.112 176.300 -0.097 0.000 0.905 386 R CA 0.033 56.101 56.100 -0.053 0.000 1.064 386 R CB 0.570 30.889 30.300 0.031 0.000 1.046 386 R HN 0.057 nan 8.270 nan 0.000 0.508 387 L N 1.436 122.533 121.223 -0.212 0.000 2.305 387 L HA 0.282 4.622 4.340 -0.000 0.000 0.284 387 L C -0.411 176.349 176.870 -0.184 0.000 1.013 387 L CA -0.541 54.137 54.840 -0.270 0.000 0.819 387 L CB 1.683 43.390 42.059 -0.587 0.000 1.227 387 L HN 0.121 nan 8.230 nan 0.000 0.417 388 N N 5.169 123.816 118.700 -0.088 0.000 2.439 388 N HA 0.314 5.054 4.740 -0.000 0.000 0.243 388 N C -0.826 174.654 175.510 -0.050 0.000 1.088 388 N CA -0.503 52.510 53.050 -0.061 0.000 0.940 388 N CB 0.543 39.017 38.487 -0.023 0.000 1.180 388 N HN 0.569 nan 8.380 nan 0.000 0.505 389 M N 3.632 123.167 119.600 -0.108 0.000 2.055 389 M HA 0.243 4.723 4.480 -0.000 0.000 0.346 389 M C 0.940 177.172 176.300 -0.113 0.000 1.074 389 M CA -0.429 54.824 55.300 -0.079 0.000 1.009 389 M CB 1.487 34.011 32.600 -0.127 0.000 1.423 389 M HN 0.444 nan 8.290 nan 0.000 0.410 390 R N 0.549 121.003 120.500 -0.077 0.000 2.127 390 R HA 0.123 4.462 4.340 -0.000 0.000 0.217 390 R C 0.387 176.625 176.300 -0.102 0.000 1.074 390 R CA 0.666 56.708 56.100 -0.096 0.000 0.991 390 R CB 0.124 30.384 30.300 -0.066 0.000 0.895 390 R HN 0.628 nan 8.270 nan 0.000 0.450 391 N N 1.143 119.800 118.700 -0.071 0.000 2.485 391 N HA 0.307 5.047 4.740 -0.000 0.000 0.280 391 N C -2.605 172.873 175.510 -0.055 0.000 1.205 391 N CA -1.651 51.362 53.050 -0.062 0.000 0.959 391 N CB 0.674 39.137 38.487 -0.040 0.000 1.206 391 N HN -0.225 nan 8.380 nan 0.000 0.545 392 P HA 0.142 nan 4.420 nan 0.000 0.274 392 P C 0.282 177.578 177.300 -0.006 0.000 1.256 392 P CA 0.143 63.230 63.100 -0.021 0.000 0.795 392 P CB 0.260 31.955 31.700 -0.009 0.000 1.038 393 G N 0.434 109.230 108.800 -0.005 0.000 2.395 393 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.300 393 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.300 393 G C 0.539 175.440 174.900 0.003 0.000 0.998 393 G CA 0.561 45.672 45.100 0.018 0.000 1.046 393 G HN 0.421 nan 8.290 nan 0.000 0.513 394 S N -1.512 114.148 115.700 -0.068 0.000 2.559 394 S HA 0.363 4.832 4.470 -0.000 0.000 0.226 394 S C -0.086 174.544 174.600 0.050 0.000 1.000 394 S CA 0.111 58.314 58.200 0.005 0.000 0.948 394 S CB 0.618 63.829 63.200 0.019 0.000 0.870 394 S HN 0.754 nan 8.310 nan 0.000 0.497 395 Y N 0.726 120.826 120.300 -0.334 0.000 2.479 395 Y HA 0.574 5.124 4.550 -0.000 0.000 0.338 395 Y C -2.163 173.427 175.900 -0.518 0.000 1.055 395 Y CA -1.316 56.610 58.100 -0.289 0.000 1.023 395 Y CB 1.059 39.311 38.460 -0.347 0.000 1.287 395 Y HN 0.060 nan 8.280 nan 0.000 0.447 396 Y N 6.393 126.408 120.300 -0.475 0.000 2.433 396 Y HA 0.566 5.116 4.550 -0.000 0.000 0.337 396 Y C -1.517 174.261 175.900 -0.203 0.000 1.026 396 Y CA -1.091 56.918 58.100 -0.151 0.000 1.037 396 Y CB 2.165 40.703 38.460 0.130 0.000 1.245 396 Y HN 0.588 nan 8.280 nan 0.000 0.443 397 F N 3.002 122.946 119.950 -0.009 0.000 2.574 397 F HA 0.517 5.044 4.527 -0.000 0.000 0.313 397 F C -0.310 175.447 175.800 -0.072 0.000 1.130 397 F CA -1.778 56.246 58.000 0.039 0.000 0.936 397 F CB 0.896 39.981 39.000 0.140 0.000 1.219 397 F HN 0.726 nan 8.300 nan 0.000 0.445 398 C N 4.634 123.425 119.300 -0.848 0.000 2.250 398 C HA 0.360 4.820 4.460 -0.000 0.000 0.405 398 C C 1.706 176.306 174.990 -0.649 0.000 1.516 398 C CA -0.023 58.407 59.018 -0.981 0.000 1.412 398 C CB -1.513 25.811 27.740 -0.693 0.000 2.534 398 C HN 1.058 nan 8.230 nan 0.000 0.621 399 A N 3.231 125.775 122.820 -0.460 0.000 2.032 399 A HA 0.153 4.473 4.320 -0.000 0.000 0.221 399 A C 2.234 179.756 177.584 -0.103 0.000 1.165 399 A CA 1.970 53.911 52.037 -0.159 0.000 0.645 399 A CB -0.389 18.515 19.000 -0.160 0.000 0.807 399 A HN 1.701 nan 8.150 nan 0.000 0.453 400 A N -2.555 120.162 122.820 -0.172 0.000 2.470 400 A HA 0.472 4.792 4.320 -0.000 0.000 0.251 400 A C 1.613 179.119 177.584 -0.130 0.000 1.245 400 A CA 0.966 52.941 52.037 -0.104 0.000 0.932 400 A CB -0.540 18.412 19.000 -0.079 0.000 1.037 400 A HN 1.836 nan 8.150 nan 0.000 0.522 401 G N -0.977 107.704 108.800 -0.198 0.000 2.162 401 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.260 401 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.260 401 G C 0.687 175.457 174.900 -0.218 0.000 0.976 401 G CA 0.218 45.205 45.100 -0.189 0.000 0.655 401 G HN 1.467 nan 8.290 nan 0.000 0.533 402 G N 0.293 108.954 108.800 -0.232 0.000 2.365 402 G HA2 0.561 4.521 3.960 -0.000 0.000 0.293 402 G HA3 0.561 4.521 3.960 -0.000 0.000 0.293 402 G C 0.533 175.285 174.900 -0.246 0.000 1.128 402 G CA -0.505 44.469 45.100 -0.210 0.000 0.971 402 G HN 0.610 nan 8.290 nan 0.000 0.422 403 L N 1.820 122.817 121.223 -0.377 0.000 2.452 403 L HA 0.436 4.776 4.340 -0.000 0.000 0.267 403 L C 1.470 178.129 176.870 -0.352 0.000 1.188 403 L CA 0.788 55.353 54.840 -0.458 0.000 0.821 403 L CB 0.946 42.482 42.059 -0.872 0.000 1.102 403 L HN 0.828 nan 8.230 nan 0.000 0.470 404 G N 1.505 110.258 108.800 -0.079 0.000 2.154 404 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.186 404 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.186 404 G C 0.098 175.067 174.900 0.115 0.000 1.000 404 G CA 0.225 45.386 45.100 0.103 0.000 0.664 404 G HN 0.642 nan 8.290 nan 0.000 0.513 405 F N 1.424 121.340 119.950 -0.056 0.000 2.222 405 F HA 0.549 5.076 4.527 -0.000 0.000 0.285 405 F C 2.519 178.308 175.800 -0.019 0.000 1.068 405 F CA 1.814 59.780 58.000 -0.056 0.000 1.265 405 F CB -0.549 38.383 39.000 -0.114 0.000 1.087 405 F HN 0.240 nan 8.300 nan 0.000 0.511 406 A N 1.545 124.290 122.820 -0.125 0.000 1.884 406 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 406 A C 2.328 179.831 177.584 -0.137 0.000 1.197 406 A CA 2.295 54.218 52.037 -0.190 0.000 0.637 406 A CB -1.537 17.508 19.000 0.074 0.000 0.827 406 A HN 0.611 nan 8.150 nan 0.000 0.450 407 L N 0.105 121.345 121.223 0.028 0.000 1.970 407 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 407 L C -0.277 176.665 176.870 0.121 0.000 1.071 407 L CA 2.302 57.246 54.840 0.173 0.000 0.751 407 L CB -0.823 41.314 42.059 0.131 0.000 0.889 407 L HN 0.306 nan 8.230 nan 0.000 0.432 408 P HA -0.128 nan 4.420 nan 0.000 0.217 408 P C 1.249 178.458 177.300 -0.153 0.000 1.151 408 P CA 1.877 64.953 63.100 -0.039 0.000 0.828 408 P CB -0.049 31.623 31.700 -0.045 0.000 0.788 409 A N 0.889 123.475 122.820 -0.390 0.000 1.933 409 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 409 A C 2.518 179.885 177.584 -0.362 0.000 1.175 409 A CA 2.062 53.762 52.037 -0.561 0.000 0.628 409 A CB -1.549 16.629 19.000 -1.370 0.000 0.814 409 A HN 0.227 nan 8.150 nan 0.000 0.444 410 A N -0.044 122.620 122.820 -0.260 0.000 1.972 410 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 410 A C 2.076 179.584 177.584 -0.127 0.000 1.169 410 A CA 1.524 53.450 52.037 -0.186 0.000 0.635 410 A CB -0.581 18.311 19.000 -0.180 0.000 0.810 410 A HN 0.529 nan 8.150 nan 0.000 0.446 411 I N -0.613 119.939 120.570 -0.030 0.000 2.252 411 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 411 I C 2.687 178.817 176.117 0.021 0.000 1.102 411 I CA 1.030 62.354 61.300 0.040 0.000 1.385 411 I CB -0.640 37.437 38.000 0.128 0.000 1.064 411 I HN 0.389 nan 8.210 nan 0.000 0.414 412 G N 0.672 109.456 108.800 -0.026 0.000 2.404 412 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.215 412 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.215 412 G C 1.725 176.660 174.900 0.058 0.000 1.174 412 G CA 0.747 45.863 45.100 0.026 0.000 0.780 412 G HN 0.210 nan 8.290 nan 0.000 0.537 413 V N 0.662 120.520 119.914 -0.094 0.000 2.287 413 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 413 V C 2.791 178.862 176.094 -0.038 0.000 1.053 413 V CA 2.311 64.537 62.300 -0.122 0.000 1.027 413 V CB -0.504 31.191 31.823 -0.213 0.000 0.646 413 V HN 0.424 nan 8.190 nan 0.000 0.447 414 Q N -0.220 119.558 119.800 -0.037 0.000 2.170 414 Q HA -0.201 4.139 4.340 -0.000 0.000 0.203 414 Q C 1.912 177.935 176.000 0.037 0.000 0.976 414 Q CA 1.784 57.575 55.803 -0.020 0.000 0.858 414 Q CB -0.525 28.185 28.738 -0.047 0.000 0.907 414 Q HN 0.567 nan 8.270 nan 0.000 0.433 415 L N -0.401 120.881 121.223 0.098 0.000 2.156 415 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 415 L C 1.904 178.920 176.870 0.243 0.000 1.095 415 L CA 1.949 56.889 54.840 0.167 0.000 0.770 415 L CB -0.716 41.465 42.059 0.204 0.000 0.914 415 L HN 0.220 nan 8.230 nan 0.000 0.439 416 A N -1.598 121.345 122.820 0.205 0.000 1.975 416 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 416 A C 1.128 178.699 177.584 -0.021 0.000 1.170 416 A CA 0.691 52.730 52.037 0.003 0.000 0.656 416 A CB -0.139 18.698 19.000 -0.273 0.000 0.821 416 A HN 0.397 nan 8.150 nan 0.000 0.449 417 E N 0.002 120.199 120.200 -0.004 0.000 3.167 417 E HA 0.158 4.507 4.350 -0.000 0.000 0.212 417 E C -2.106 174.491 176.600 -0.004 0.000 1.143 417 E CA -1.686 54.707 56.400 -0.011 0.000 1.002 417 E CB 0.821 30.511 29.700 -0.016 0.000 1.315 417 E HN 0.407 nan 8.360 nan 0.000 0.422 418 P HA -0.134 nan 4.420 nan 0.000 0.221 418 P C 0.637 177.933 177.300 -0.007 0.000 1.145 418 P CA 1.006 64.109 63.100 0.007 0.000 0.795 418 P CB 0.609 32.320 31.700 0.018 0.000 0.775 419 E N -0.385 119.808 120.200 -0.011 0.000 2.479 419 E HA 0.092 4.442 4.350 -0.000 0.000 0.193 419 E C 0.631 177.215 176.600 -0.026 0.000 1.049 419 E CA 0.195 56.585 56.400 -0.016 0.000 0.870 419 E CB 0.160 29.852 29.700 -0.013 0.000 0.944 419 E HN 0.420 nan 8.360 nan 0.000 0.492 420 R N 1.039 121.519 120.500 -0.033 0.000 2.480 420 R HA 0.253 4.593 4.340 -0.000 0.000 0.306 420 R C -0.303 175.955 176.300 -0.070 0.000 0.958 420 R CA -0.845 55.225 56.100 -0.049 0.000 0.861 420 R CB 1.384 31.659 30.300 -0.043 0.000 1.171 420 R HN -0.162 nan 8.270 nan 0.000 0.445 421 Q N 2.390 122.136 119.800 -0.091 0.000 2.262 421 Q HA 0.105 4.445 4.340 -0.000 0.000 0.272 421 Q C -0.893 175.005 176.000 -0.170 0.000 1.076 421 Q CA 0.197 55.929 55.803 -0.117 0.000 0.905 421 Q CB 0.863 29.532 28.738 -0.114 0.000 1.182 421 Q HN 0.391 nan 8.270 nan 0.000 0.390 422 V N 6.827 126.642 119.914 -0.165 0.000 2.465 422 V HA 0.412 4.532 4.120 -0.000 0.000 0.279 422 V C 0.114 176.065 176.094 -0.239 0.000 1.045 422 V CA -0.426 61.757 62.300 -0.196 0.000 0.938 422 V CB 1.091 32.813 31.823 -0.168 0.000 0.986 422 V HN 0.722 nan 8.190 nan 0.000 0.467 423 I N 4.286 124.709 120.570 -0.245 0.000 2.468 423 I HA 0.584 4.754 4.170 -0.000 0.000 0.284 423 I C 0.111 176.203 176.117 -0.042 0.000 1.038 423 I CA -0.503 60.697 61.300 -0.167 0.000 1.083 423 I CB 1.724 39.640 38.000 -0.140 0.000 1.223 423 I HN 0.639 nan 8.210 nan 0.000 0.443 424 A N 6.721 129.491 122.820 -0.084 0.000 2.249 424 A HA 0.665 4.984 4.320 -0.000 0.000 0.314 424 A C -0.348 177.308 177.584 0.120 0.000 1.290 424 A CA -0.435 51.617 52.037 0.026 0.000 0.893 424 A CB 0.701 19.687 19.000 -0.023 0.000 1.165 424 A HN 0.458 nan 8.150 nan 0.000 0.530 425 V N 5.116 125.145 119.914 0.191 0.000 2.334 425 V HA 0.321 4.440 4.120 -0.000 0.000 0.267 425 V C -0.115 176.095 176.094 0.192 0.000 1.040 425 V CA 0.191 62.612 62.300 0.202 0.000 0.866 425 V CB 0.025 32.031 31.823 0.305 0.000 1.019 425 V HN 0.702 nan 8.190 nan 0.000 0.468 426 I N 3.628 124.285 120.570 0.146 0.000 2.509 426 I HA 0.578 4.748 4.170 -0.000 0.000 0.293 426 I C 0.954 177.118 176.117 0.079 0.000 1.020 426 I CA -0.563 60.819 61.300 0.138 0.000 1.088 426 I CB 1.989 40.076 38.000 0.145 0.000 1.267 426 I HN 0.639 nan 8.210 nan 0.000 0.430 427 G N 2.797 111.671 108.800 0.123 0.000 2.594 427 G HA2 0.045 4.005 3.960 -0.000 0.000 0.243 427 G HA3 0.045 4.005 3.960 -0.000 0.000 0.243 427 G C 0.858 175.788 174.900 0.050 0.000 1.229 427 G CA -0.276 44.887 45.100 0.104 0.000 0.843 427 G HN 0.851 nan 8.290 nan 0.000 0.578 428 D N 0.765 121.161 120.400 -0.006 0.000 2.182 428 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 428 D C 2.027 178.501 176.300 0.290 0.000 0.986 428 D CA 1.364 55.337 54.000 -0.045 0.000 0.847 428 D CB -0.596 40.245 40.800 0.068 0.000 0.942 428 D HN 0.459 nan 8.370 nan 0.000 0.467 429 G N 0.326 109.321 108.800 0.325 0.000 2.395 429 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.214 429 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.214 429 G C 1.863 177.096 174.900 0.555 0.000 1.177 429 G CA 0.748 46.144 45.100 0.494 0.000 0.794 429 G HN 0.325 nan 8.290 nan 0.000 0.532 430 S N 1.210 117.197 115.700 0.477 0.000 2.383 430 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 430 S C 2.744 177.613 174.600 0.449 0.000 1.030 430 S CA 1.158 59.641 58.200 0.471 0.000 1.002 430 S CB -0.375 62.974 63.200 0.250 0.000 0.829 430 S HN 0.573 nan 8.310 nan 0.000 0.467 431 A N 2.561 125.568 122.820 0.312 0.000 2.032 431 A HA -0.189 4.131 4.320 -0.000 0.000 0.221 431 A C 1.884 179.648 177.584 0.299 0.000 1.165 431 A CA 1.515 53.712 52.037 0.266 0.000 0.645 431 A CB -0.565 18.550 19.000 0.191 0.000 0.807 431 A HN 0.519 nan 8.150 nan 0.000 0.453 432 N N -1.224 117.657 118.700 0.301 0.000 2.216 432 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 432 N C 1.511 177.067 175.510 0.077 0.000 1.017 432 N CA 1.494 54.633 53.050 0.148 0.000 0.861 432 N CB -0.518 37.989 38.487 0.034 0.000 0.986 432 N HN 0.639 nan 8.380 nan 0.000 0.428 433 Y N 1.551 121.929 120.300 0.130 0.000 2.102 433 Y HA -0.134 4.416 4.550 -0.000 0.000 0.280 433 Y C 1.631 177.574 175.900 0.072 0.000 1.178 433 Y CA 1.171 59.327 58.100 0.094 0.000 1.146 433 Y CB -0.243 38.268 38.460 0.085 0.000 0.968 433 Y HN -0.051 nan 8.280 nan 0.000 0.504 434 S N -0.811 115.023 115.700 0.224 0.000 2.668 434 S HA 0.143 4.613 4.470 -0.000 0.000 0.244 434 S C 1.163 175.807 174.600 0.073 0.000 1.140 434 S CA -0.340 57.933 58.200 0.122 0.000 1.134 434 S CB -0.072 63.190 63.200 0.103 0.000 0.954 434 S HN 0.230 nan 8.310 nan 0.000 0.490 435 I N 2.951 123.577 120.570 0.092 0.000 2.248 435 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 435 I C 2.339 178.456 176.117 -0.000 0.000 1.107 435 I CA 1.837 63.191 61.300 0.090 0.000 1.373 435 I CB -0.329 37.764 38.000 0.156 0.000 1.055 435 I HN 0.471 nan 8.210 nan 0.000 0.418 436 S N 0.549 116.204 115.700 -0.076 0.000 2.500 436 S HA -0.050 4.420 4.470 -0.000 0.000 0.239 436 S C 2.160 176.524 174.600 -0.392 0.000 0.989 436 S CA 0.649 58.581 58.200 -0.446 0.000 0.951 436 S CB -0.948 62.087 63.200 -0.275 0.000 0.759 436 S HN 0.507 nan 8.310 nan 0.000 0.523 437 A N 2.166 124.894 122.820 -0.153 0.000 2.019 437 A HA 0.099 4.419 4.320 -0.000 0.000 0.219 437 A C 2.172 179.722 177.584 -0.057 0.000 1.164 437 A CA 1.236 53.240 52.037 -0.054 0.000 0.644 437 A CB -0.845 18.151 19.000 -0.006 0.000 0.805 437 A HN 0.570 nan 8.150 nan 0.000 0.449 438 L N -2.530 118.597 121.223 -0.161 0.000 2.051 438 L HA -0.276 4.064 4.340 -0.000 0.000 0.214 438 L C 2.460 179.330 176.870 0.001 0.000 1.076 438 L CA 1.944 56.694 54.840 -0.150 0.000 0.758 438 L CB -0.541 41.451 42.059 -0.112 0.000 0.890 438 L HN 0.764 nan 8.230 nan 0.000 0.433 439 W N 0.939 122.077 121.300 -0.270 0.000 2.321 439 W HA -0.259 4.401 4.660 -0.000 0.000 0.306 439 W C 2.589 179.096 176.519 -0.020 0.000 1.217 439 W CA 2.344 59.612 57.345 -0.129 0.000 1.257 439 W CB -0.410 28.888 29.460 -0.271 0.000 1.145 439 W HN 0.002 nan 8.180 nan 0.000 0.509 440 T N 0.371 115.030 114.554 0.175 0.000 2.746 440 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 440 T C 1.935 176.695 174.700 0.100 0.000 1.039 440 T CA 1.958 64.156 62.100 0.163 0.000 1.142 440 T CB -0.926 68.117 68.868 0.291 0.000 0.866 440 T HN 0.266 nan 8.240 nan 0.000 0.444 441 A N 1.455 124.334 122.820 0.098 0.000 1.902 441 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 441 A C 2.641 180.238 177.584 0.023 0.000 1.181 441 A CA 1.888 54.002 52.037 0.127 0.000 0.623 441 A CB -1.128 18.022 19.000 0.249 0.000 0.818 441 A HN 0.512 nan 8.150 nan 0.000 0.443 442 A N -1.230 121.543 122.820 -0.078 0.000 1.858 442 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 442 A C 2.147 179.546 177.584 -0.307 0.000 1.190 442 A CA 1.670 53.613 52.037 -0.156 0.000 0.617 442 A CB -0.577 18.323 19.000 -0.166 0.000 0.827 442 A HN 0.470 nan 8.150 nan 0.000 0.443 443 Q N -1.006 118.427 119.800 -0.612 0.000 2.077 443 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 443 Q C 1.294 176.883 176.000 -0.685 0.000 0.989 443 Q CA 1.768 57.062 55.803 -0.848 0.000 0.853 443 Q CB -0.450 27.402 28.738 -1.477 0.000 0.907 443 Q HN 0.867 nan 8.270 nan 0.000 0.418 444 Y N 0.006 120.182 120.300 -0.206 0.000 2.493 444 Y HA 0.126 4.676 4.550 -0.000 0.000 0.275 444 Y C 0.360 176.218 175.900 -0.071 0.000 1.183 444 Y CA -0.364 57.670 58.100 -0.111 0.000 1.258 444 Y CB -0.380 38.032 38.460 -0.080 0.000 1.108 444 Y HN 0.171 nan 8.280 nan 0.000 0.521 445 N N 1.403 120.101 118.700 -0.002 0.000 2.686 445 N HA -0.230 4.510 4.740 -0.000 0.000 0.261 445 N C -1.105 174.435 175.510 0.050 0.000 1.001 445 N CA 0.284 53.341 53.050 0.011 0.000 0.764 445 N CB -1.096 37.388 38.487 -0.005 0.000 0.898 445 N HN 0.403 nan 8.380 nan 0.000 0.544 446 I N 1.464 122.079 120.570 0.075 0.000 2.287 446 I HA 0.200 4.370 4.170 -0.000 0.000 0.290 446 I C -1.277 174.872 176.117 0.054 0.000 1.069 446 I CA -2.011 59.331 61.300 0.070 0.000 1.237 446 I CB 1.143 39.199 38.000 0.094 0.000 1.418 446 I HN 0.128 nan 8.210 nan 0.000 0.481 447 P HA -0.062 nan 4.420 nan 0.000 0.311 447 P C 0.133 177.401 177.300 -0.053 0.000 1.543 447 P CA 0.209 63.309 63.100 0.001 0.000 0.766 447 P CB -0.694 31.002 31.700 -0.007 0.000 1.711 448 T N 1.271 115.772 114.554 -0.088 0.000 2.918 448 T HA 0.255 4.605 4.350 -0.000 0.000 0.302 448 T C 0.753 175.200 174.700 -0.422 0.000 1.045 448 T CA 0.228 62.138 62.100 -0.316 0.000 1.114 448 T CB 0.690 69.256 68.868 -0.503 0.000 0.965 448 T HN 0.064 nan 8.240 nan 0.000 0.540 449 I N 3.179 123.469 120.570 -0.467 0.000 2.339 449 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 449 I C -0.881 174.977 176.117 -0.433 0.000 0.994 449 I CA -0.662 60.462 61.300 -0.293 0.000 1.191 449 I CB 0.957 38.879 38.000 -0.130 0.000 1.343 449 I HN 0.510 nan 8.210 nan 0.000 0.458 450 F N 5.948 125.915 119.950 0.029 0.000 2.361 450 F HA 0.377 4.904 4.527 -0.000 0.000 0.364 450 F C 0.080 175.893 175.800 0.023 0.000 1.117 450 F CA -0.883 57.136 58.000 0.031 0.000 1.071 450 F CB 1.250 40.274 39.000 0.040 0.000 1.188 450 F HN 0.013 nan 8.300 nan 0.000 0.464 451 V N 5.636 125.639 119.914 0.148 0.000 2.304 451 V HA 0.257 4.377 4.120 -0.000 0.000 0.269 451 V C 0.132 176.253 176.094 0.045 0.000 1.036 451 V CA -0.556 61.794 62.300 0.083 0.000 0.840 451 V CB 0.528 32.388 31.823 0.061 0.000 1.036 451 V HN 0.424 nan 8.190 nan 0.000 0.466 452 I N 6.072 126.628 120.570 -0.023 0.000 2.337 452 I HA 0.287 4.457 4.170 -0.000 0.000 0.291 452 I C 0.294 176.320 176.117 -0.151 0.000 1.046 452 I CA -0.281 60.922 61.300 -0.162 0.000 1.324 452 I CB 1.199 38.935 38.000 -0.440 0.000 1.409 452 I HN 0.439 nan 8.210 nan 0.000 0.494 453 M N 5.893 125.433 119.600 -0.101 0.000 2.201 453 M HA 0.145 4.625 4.480 -0.000 0.000 0.345 453 M C 0.147 176.405 176.300 -0.070 0.000 1.352 453 M CA -0.053 55.207 55.300 -0.065 0.000 1.218 453 M CB -0.536 32.056 32.600 -0.013 0.000 1.512 453 M HN 0.361 nan 8.290 nan 0.000 0.447 454 N N 3.779 122.440 118.700 -0.065 0.000 2.485 454 N HA 0.172 4.912 4.740 -0.000 0.000 0.243 454 N C -0.112 175.418 175.510 0.033 0.000 0.987 454 N CA -0.098 52.945 53.050 -0.013 0.000 0.940 454 N CB 0.488 38.990 38.487 0.026 0.000 1.122 454 N HN 0.498 nan 8.380 nan 0.000 0.509 455 N N 2.046 120.778 118.700 0.054 0.000 2.197 455 N HA 0.165 4.905 4.740 -0.000 0.000 0.228 455 N C 0.882 176.430 175.510 0.063 0.000 1.212 455 N CA 0.061 53.144 53.050 0.054 0.000 0.883 455 N CB 0.049 38.573 38.487 0.061 0.000 1.107 455 N HN 0.463 nan 8.380 nan 0.000 0.519 456 G N -0.898 107.948 108.800 0.077 0.000 2.233 456 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.270 456 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.270 456 G C -0.012 174.899 174.900 0.018 0.000 1.011 456 G CA 1.056 46.191 45.100 0.058 0.000 0.762 456 G HN 0.802 nan 8.290 nan 0.000 0.511 457 T N -1.963 112.613 114.554 0.037 0.000 2.802 457 T HA 0.502 4.852 4.350 -0.000 0.000 0.311 457 T C -0.581 174.197 174.700 0.130 0.000 1.405 457 T CA -0.631 61.481 62.100 0.020 0.000 1.016 457 T CB 0.895 69.807 68.868 0.073 0.000 1.352 457 T HN 0.242 nan 8.240 nan 0.000 0.498 458 Y N 2.578 122.966 120.300 0.147 0.000 2.623 458 Y HA 0.238 4.788 4.550 -0.000 0.000 0.341 458 Y C 1.885 177.897 175.900 0.186 0.000 1.292 458 Y CA -0.549 57.655 58.100 0.173 0.000 1.840 458 Y CB 0.027 38.590 38.460 0.172 0.000 1.865 458 Y HN 0.959 nan 8.280 nan 0.000 0.440 459 G N 1.520 110.514 108.800 0.324 0.000 2.599 459 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.219 459 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.219 459 G C 1.839 176.927 174.900 0.313 0.000 1.193 459 G CA 1.177 46.439 45.100 0.269 0.000 0.778 459 G HN 0.651 nan 8.290 nan 0.000 0.589 460 A N 0.415 123.426 122.820 0.319 0.000 1.917 460 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 460 A C 2.495 180.409 177.584 0.550 0.000 1.182 460 A CA 1.699 53.971 52.037 0.392 0.000 0.633 460 A CB -0.427 18.790 19.000 0.361 0.000 0.819 460 A HN 0.408 nan 8.150 nan 0.000 0.448 461 L N -1.544 119.933 121.223 0.424 0.000 2.093 461 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 461 L C 2.813 179.904 176.870 0.368 0.000 1.085 461 L CA 1.328 56.400 54.840 0.387 0.000 0.755 461 L CB -0.554 41.663 42.059 0.263 0.000 0.904 461 L HN 0.374 nan 8.230 nan 0.000 0.435 462 R N -0.896 119.800 120.500 0.327 0.000 2.120 462 R HA -0.224 4.116 4.340 -0.000 0.000 0.234 462 R C 2.084 178.535 176.300 0.252 0.000 1.123 462 R CA 1.826 58.076 56.100 0.250 0.000 0.975 462 R CB -0.359 30.072 30.300 0.219 0.000 0.866 462 R HN 0.415 nan 8.270 nan 0.000 0.446 463 W N 0.565 121.951 121.300 0.142 0.000 2.378 463 W HA -0.132 4.528 4.660 -0.000 0.000 0.313 463 W C 1.557 178.092 176.519 0.027 0.000 1.197 463 W CA 1.241 58.616 57.345 0.050 0.000 1.304 463 W CB -0.579 28.875 29.460 -0.012 0.000 1.148 463 W HN -0.100 nan 8.180 nan 0.000 0.494 464 F N 0.922 120.957 119.950 0.142 0.000 2.161 464 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 464 F C 2.579 178.294 175.800 -0.143 0.000 1.089 464 F CA 2.092 60.039 58.000 -0.088 0.000 1.282 464 F CB -1.250 37.826 39.000 0.126 0.000 1.010 464 F HN 0.007 nan 8.300 nan 0.000 0.485 465 A N 0.298 123.204 122.820 0.144 0.000 1.917 465 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 465 A C 2.566 180.127 177.584 -0.039 0.000 1.182 465 A CA 1.995 54.073 52.037 0.067 0.000 0.633 465 A CB -1.619 17.435 19.000 0.091 0.000 0.819 465 A HN 0.419 nan 8.150 nan 0.000 0.448 466 G N -0.250 108.470 108.800 -0.133 0.000 2.433 466 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 466 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 466 G C 1.674 176.421 174.900 -0.255 0.000 1.186 466 G CA 2.232 47.215 45.100 -0.195 0.000 0.779 466 G HN 1.066 nan 8.290 nan 0.000 0.543 467 V N -0.716 118.932 119.914 -0.443 0.000 2.407 467 V HA 0.031 4.151 4.120 -0.000 0.000 0.248 467 V C 2.621 178.611 176.094 -0.173 0.000 1.055 467 V CA 1.531 63.600 62.300 -0.386 0.000 1.049 467 V CB -0.575 30.867 31.823 -0.634 0.000 0.662 467 V HN 0.269 nan 8.190 nan 0.000 0.455 468 L N 0.158 121.322 121.223 -0.098 0.000 2.610 468 L HA 0.170 4.510 4.340 -0.000 0.000 0.232 468 L C 0.917 177.776 176.870 -0.018 0.000 1.149 468 L CA 0.545 55.379 54.840 -0.009 0.000 0.872 468 L CB -0.903 41.190 42.059 0.057 0.000 0.992 468 L HN 0.499 nan 8.230 nan 0.000 0.447 469 E N -0.204 119.969 120.200 -0.046 0.000 2.222 469 E HA -0.208 4.142 4.350 -0.000 0.000 0.189 469 E C -0.048 176.548 176.600 -0.008 0.000 1.415 469 E CA 0.223 56.604 56.400 -0.032 0.000 0.689 469 E CB -1.112 28.572 29.700 -0.028 0.000 1.107 469 E HN 0.444 nan 8.360 nan 0.000 0.350 470 A N 2.058 124.880 122.820 0.003 0.000 2.331 470 A HA 0.588 4.907 4.320 -0.000 0.000 0.320 470 A C -0.096 177.502 177.584 0.023 0.000 1.138 470 A CA -0.613 51.435 52.037 0.018 0.000 0.790 470 A CB 1.132 20.152 19.000 0.033 0.000 1.206 470 A HN 0.246 nan 8.150 nan 0.000 0.470 471 E N 1.280 121.493 120.200 0.022 0.000 2.320 471 E HA 0.400 4.750 4.350 -0.000 0.000 0.264 471 E C -0.714 175.903 176.600 0.028 0.000 0.923 471 E CA -1.221 55.194 56.400 0.025 0.000 0.796 471 E CB 1.134 30.844 29.700 0.018 0.000 1.262 471 E HN 0.668 nan 8.360 nan 0.000 0.428 472 N N -0.298 118.421 118.700 0.031 0.000 2.754 472 N HA -0.145 4.595 4.740 -0.000 0.000 0.248 472 N C -0.930 174.603 175.510 0.038 0.000 1.093 472 N CA 0.420 53.488 53.050 0.031 0.000 0.699 472 N CB -1.275 37.226 38.487 0.024 0.000 1.016 472 N HN 0.142 nan 8.380 nan 0.000 0.552 473 V N 2.093 122.036 119.914 0.048 0.000 2.432 473 V HA 0.296 4.416 4.120 -0.000 0.000 0.271 473 V C -0.808 175.326 176.094 0.067 0.000 1.046 473 V CA -0.868 61.467 62.300 0.059 0.000 0.945 473 V CB 1.269 33.135 31.823 0.073 0.000 0.992 473 V HN 0.138 nan 8.190 nan 0.000 0.471 474 P HA 0.297 nan 4.420 nan 0.000 0.277 474 P C 0.653 178.007 177.300 0.091 0.000 1.271 474 P CA 0.224 63.363 63.100 0.064 0.000 0.795 474 P CB 0.769 32.500 31.700 0.051 0.000 1.101 475 G N -0.020 108.831 108.800 0.086 0.000 2.341 475 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.292 475 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.292 475 G C 0.526 175.540 174.900 0.190 0.000 1.021 475 G CA 0.497 45.667 45.100 0.117 0.000 0.905 475 G HN 0.481 nan 8.290 nan 0.000 0.508 476 L N -1.107 120.205 121.223 0.149 0.000 2.554 476 L HA 0.259 4.599 4.340 -0.000 0.000 0.225 476 L C 0.349 177.241 176.870 0.036 0.000 1.104 476 L CA 0.051 55.019 54.840 0.214 0.000 0.866 476 L CB 0.103 42.276 42.059 0.190 0.000 1.047 476 L HN 0.128 nan 8.230 nan 0.000 0.468 477 D N 0.484 120.851 120.400 -0.054 0.000 2.248 477 D HA 0.332 4.972 4.640 -0.000 0.000 0.246 477 D C -0.042 176.129 176.300 -0.215 0.000 1.027 477 D CA -0.086 53.843 54.000 -0.119 0.000 0.853 477 D CB 3.062 43.840 40.800 -0.036 0.000 1.243 477 D HN -0.198 nan 8.370 nan 0.000 0.462 478 V N -0.718 119.056 119.914 -0.234 0.000 2.468 478 V HA 0.356 4.476 4.120 -0.000 0.000 0.256 478 V C -2.512 173.535 176.094 -0.079 0.000 0.998 478 V CA -1.366 60.813 62.300 -0.201 0.000 1.114 478 V CB 0.457 32.099 31.823 -0.301 0.000 1.378 478 V HN 0.315 nan 8.190 nan 0.000 0.573 479 P HA 0.436 nan 4.420 nan 0.000 0.276 479 P C 0.812 178.089 177.300 -0.039 0.000 1.261 479 P CA 0.937 64.022 63.100 -0.025 0.000 0.800 479 P CB 1.359 33.047 31.700 -0.019 0.000 1.066 480 G N 0.049 108.828 108.800 -0.034 0.000 2.198 480 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.257 480 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.257 480 G C -0.177 174.657 174.900 -0.111 0.000 1.042 480 G CA -0.139 44.925 45.100 -0.059 0.000 0.791 480 G HN 0.488 nan 8.290 nan 0.000 0.502 481 I N 0.490 120.970 120.570 -0.151 0.000 2.389 481 I HA 0.287 4.457 4.170 -0.000 0.000 0.288 481 I C -0.731 175.121 176.117 -0.442 0.000 0.999 481 I CA -0.820 60.261 61.300 -0.366 0.000 1.129 481 I CB 1.809 39.481 38.000 -0.545 0.000 1.288 481 I HN 0.023 nan 8.210 nan 0.000 0.444 482 D N 6.430 126.601 120.400 -0.383 0.000 2.456 482 D HA 0.208 4.848 4.640 -0.000 0.000 0.219 482 D C 0.603 176.734 176.300 -0.281 0.000 1.126 482 D CA -0.284 53.582 54.000 -0.223 0.000 0.890 482 D CB 0.580 41.309 40.800 -0.119 0.000 1.025 482 D HN 0.297 nan 8.370 nan 0.000 0.511 483 F N 2.013 121.971 119.950 0.013 0.000 2.293 483 F HA 0.001 4.528 4.527 -0.000 0.000 0.300 483 F C 2.373 178.183 175.800 0.017 0.000 1.086 483 F CA 0.533 58.544 58.000 0.020 0.000 1.375 483 F CB 0.008 39.029 39.000 0.034 0.000 1.045 483 F HN 0.233 nan 8.300 nan 0.000 0.516 484 R N 0.189 120.783 120.500 0.157 0.000 2.092 484 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 484 R C 2.479 178.804 176.300 0.042 0.000 1.119 484 R CA 1.144 57.302 56.100 0.097 0.000 0.970 484 R CB -0.683 29.662 30.300 0.076 0.000 0.864 484 R HN 0.265 nan 8.270 nan 0.000 0.440 485 A N 0.964 123.785 122.820 0.000 0.000 1.902 485 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 485 A C 2.120 179.669 177.584 -0.057 0.000 1.181 485 A CA 1.115 53.129 52.037 -0.039 0.000 0.623 485 A CB -0.524 18.435 19.000 -0.068 0.000 0.818 485 A HN 0.180 nan 8.150 nan 0.000 0.443 486 L N -0.795 120.394 121.223 -0.057 0.000 2.046 486 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 486 L C 3.116 179.993 176.870 0.012 0.000 1.077 486 L CA 1.084 55.894 54.840 -0.050 0.000 0.747 486 L CB -0.599 41.453 42.059 -0.012 0.000 0.896 486 L HN 0.450 nan 8.230 nan 0.000 0.432 487 A N 0.140 122.998 122.820 0.064 0.000 1.902 487 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 487 A C 2.411 180.032 177.584 0.061 0.000 1.181 487 A CA 2.015 54.102 52.037 0.083 0.000 0.623 487 A CB -0.469 18.584 19.000 0.087 0.000 0.818 487 A HN 0.345 nan 8.150 nan 0.000 0.443 488 K N -0.554 119.859 120.400 0.022 0.000 2.057 488 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 488 K C 2.026 178.608 176.600 -0.030 0.000 1.049 488 K CA 1.394 57.684 56.287 0.005 0.000 0.931 488 K CB -0.586 31.909 32.500 -0.009 0.000 0.714 488 K HN 0.377 nan 8.250 nan 0.000 0.440 489 G N -0.167 108.566 108.800 -0.112 0.000 2.469 489 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 489 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 489 G C 0.853 175.577 174.900 -0.293 0.000 1.136 489 G CA 0.937 45.877 45.100 -0.267 0.000 0.759 489 G HN 0.448 nan 8.290 nan 0.000 0.562 490 Y N 0.038 120.394 120.300 0.094 0.000 2.607 490 Y HA 0.376 4.925 4.550 -0.000 0.000 0.266 490 Y C 1.763 177.741 175.900 0.130 0.000 1.178 490 Y CA -0.211 58.002 58.100 0.188 0.000 1.226 490 Y CB 0.662 39.237 38.460 0.191 0.000 1.144 490 Y HN 0.266 nan 8.280 nan 0.000 0.528 491 G N 0.874 109.774 108.800 0.168 0.000 2.198 491 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.257 491 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.257 491 G C -0.486 174.452 174.900 0.063 0.000 1.042 491 G CA 0.193 45.346 45.100 0.088 0.000 0.791 491 G HN 0.147 nan 8.290 nan 0.000 0.502 492 V N 0.498 120.463 119.914 0.084 0.000 2.459 492 V HA 0.416 4.536 4.120 -0.000 0.000 0.295 492 V C 0.826 176.966 176.094 0.076 0.000 1.029 492 V CA -0.755 61.593 62.300 0.080 0.000 0.874 492 V CB 1.884 33.759 31.823 0.088 0.000 0.985 492 V HN 0.512 nan 8.190 nan 0.000 0.438 493 Q N 2.513 122.356 119.800 0.073 0.000 2.286 493 Q HA 0.381 4.721 4.340 -0.000 0.000 0.290 493 Q C -0.176 175.872 176.000 0.080 0.000 1.049 493 Q CA 0.162 56.004 55.803 0.065 0.000 0.923 493 Q CB 0.786 29.559 28.738 0.058 0.000 1.183 493 Q HN 0.943 nan 8.270 nan 0.000 0.383 494 A N 4.920 127.781 122.820 0.069 0.000 2.374 494 A HA 0.791 5.111 4.320 -0.000 0.000 0.317 494 A C -1.317 176.307 177.584 0.067 0.000 1.094 494 A CA -0.701 51.383 52.037 0.079 0.000 0.765 494 A CB 1.138 20.186 19.000 0.079 0.000 1.268 494 A HN 0.738 nan 8.150 nan 0.000 0.438 495 L N 0.554 121.820 121.223 0.072 0.000 2.376 495 L HA 0.679 5.019 4.340 -0.000 0.000 0.258 495 L C -0.516 176.390 176.870 0.059 0.000 1.013 495 L CA -1.038 53.836 54.840 0.057 0.000 0.822 495 L CB 2.521 44.610 42.059 0.051 0.000 1.388 495 L HN 0.719 nan 8.230 nan 0.000 0.413 496 K N 1.235 121.663 120.400 0.048 0.000 2.316 496 K HA 0.831 5.151 4.320 -0.000 0.000 0.251 496 K C -1.345 175.274 176.600 0.032 0.000 0.934 496 K CA -0.298 56.017 56.287 0.046 0.000 0.802 496 K CB 2.184 34.711 32.500 0.045 0.000 1.171 496 K HN 0.632 nan 8.250 nan 0.000 0.426 497 A N 3.675 126.511 122.820 0.026 0.000 2.522 497 A HA 0.336 4.656 4.320 -0.000 0.000 0.285 497 A C -0.806 176.783 177.584 0.008 0.000 1.198 497 A CA -0.614 51.432 52.037 0.015 0.000 0.742 497 A CB 0.501 19.506 19.000 0.009 0.000 1.176 497 A HN 0.837 nan 8.150 nan 0.000 0.444 498 D N 1.038 121.443 120.400 0.009 0.000 2.360 498 D HA 0.058 4.698 4.640 -0.000 0.000 0.210 498 D C 0.069 176.367 176.300 -0.004 0.000 1.047 498 D CA 0.884 54.887 54.000 0.004 0.000 0.854 498 D CB 0.431 41.236 40.800 0.008 0.000 0.936 498 D HN 0.791 nan 8.370 nan 0.000 0.514 499 N N -1.150 117.549 118.700 -0.002 0.000 3.020 499 N HA 0.061 4.801 4.740 -0.000 0.000 0.248 499 N C 0.270 175.780 175.510 0.001 0.000 1.480 499 N CA -0.740 52.309 53.050 -0.003 0.000 0.874 499 N CB 1.081 39.569 38.487 0.003 0.000 1.433 499 N HN -0.246 nan 8.380 nan 0.000 0.530 500 L N -0.007 121.219 121.223 0.005 0.000 2.043 500 L HA -0.029 4.311 4.340 -0.000 0.000 0.212 500 L C 1.672 178.549 176.870 0.011 0.000 1.075 500 L CA 2.045 56.890 54.840 0.009 0.000 0.752 500 L CB -0.888 41.181 42.059 0.017 0.000 0.891 500 L HN 0.655 nan 8.230 nan 0.000 0.432 501 E N -0.385 119.822 120.200 0.012 0.000 2.077 501 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 501 E C 2.207 178.814 176.600 0.012 0.000 0.989 501 E CA 1.347 57.755 56.400 0.012 0.000 0.800 501 E CB -0.258 29.449 29.700 0.012 0.000 0.746 501 E HN 0.685 nan 8.360 nan 0.000 0.452 502 Q N 0.036 119.842 119.800 0.011 0.000 2.119 502 Q HA -0.125 4.215 4.340 -0.000 0.000 0.201 502 Q C 2.263 178.270 176.000 0.013 0.000 0.972 502 Q CA 0.702 56.513 55.803 0.012 0.000 0.847 502 Q CB -0.139 28.606 28.738 0.012 0.000 0.903 502 Q HN 0.121 nan 8.270 nan 0.000 0.433 503 L N 1.401 122.629 121.223 0.009 0.000 1.989 503 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 503 L C 1.866 178.744 176.870 0.013 0.000 1.071 503 L CA 1.929 56.773 54.840 0.007 0.000 0.749 503 L CB -0.324 41.734 42.059 -0.002 0.000 0.890 503 L HN -0.004 nan 8.230 nan 0.000 0.431 504 K N -0.661 119.747 120.400 0.014 0.000 2.044 504 K HA -0.151 4.169 4.320 -0.000 0.000 0.210 504 K C 2.004 178.614 176.600 0.017 0.000 1.049 504 K CA 1.408 57.705 56.287 0.017 0.000 0.927 504 K CB -0.866 31.644 32.500 0.016 0.000 0.713 504 K HN 0.584 nan 8.250 nan 0.000 0.443 505 G N 0.703 109.512 108.800 0.016 0.000 2.421 505 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 505 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 505 G C 1.553 176.464 174.900 0.018 0.000 1.171 505 G CA 1.027 46.136 45.100 0.016 0.000 0.775 505 G HN 0.200 nan 8.290 nan 0.000 0.543 506 S N 0.516 116.228 115.700 0.020 0.000 2.356 506 S HA -0.032 4.438 4.470 -0.000 0.000 0.223 506 S C 2.313 176.928 174.600 0.025 0.000 1.032 506 S CA 0.925 59.140 58.200 0.024 0.000 1.005 506 S CB -0.346 62.870 63.200 0.027 0.000 0.867 506 S HN 0.294 nan 8.310 nan 0.000 0.449 507 L N 1.297 122.534 121.223 0.023 0.000 2.012 507 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 507 L C 2.896 179.777 176.870 0.018 0.000 1.073 507 L CA 1.639 56.493 54.840 0.023 0.000 0.748 507 L CB -0.529 41.546 42.059 0.026 0.000 0.891 507 L HN 0.412 nan 8.230 nan 0.000 0.431 508 Q N -0.021 119.790 119.800 0.017 0.000 2.096 508 Q HA -0.291 4.049 4.340 -0.000 0.000 0.204 508 Q C 2.129 178.136 176.000 0.013 0.000 0.982 508 Q CA 2.041 57.852 55.803 0.014 0.000 0.850 508 Q CB -0.017 28.730 28.738 0.014 0.000 0.901 508 Q HN 0.470 nan 8.270 nan 0.000 0.422 509 E N -0.694 119.515 120.200 0.016 0.000 2.072 509 E HA -0.183 4.166 4.350 -0.000 0.000 0.191 509 E C 1.840 178.451 176.600 0.017 0.000 0.985 509 E CA 0.872 57.282 56.400 0.016 0.000 0.801 509 E CB -0.135 29.576 29.700 0.020 0.000 0.750 509 E HN 0.472 nan 8.360 nan 0.000 0.452 510 A N 1.061 123.893 122.820 0.020 0.000 1.858 510 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 510 A C 2.080 179.667 177.584 0.006 0.000 1.190 510 A CA 1.089 53.138 52.037 0.020 0.000 0.617 510 A CB -0.683 18.332 19.000 0.024 0.000 0.827 510 A HN 0.285 nan 8.150 nan 0.000 0.443 511 L N 0.838 122.062 121.223 0.001 0.000 2.013 511 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 511 L C 2.876 179.742 176.870 -0.007 0.000 1.073 511 L CA 2.627 57.462 54.840 -0.009 0.000 0.753 511 L CB -1.075 40.981 42.059 -0.005 0.000 0.890 511 L HN 0.625 nan 8.230 nan 0.000 0.432 512 S N -1.590 114.110 115.700 -0.000 0.000 2.558 512 S HA 0.259 4.729 4.470 -0.000 0.000 0.217 512 S C 1.084 175.685 174.600 0.003 0.000 0.975 512 S CA 0.072 58.272 58.200 0.001 0.000 0.912 512 S CB -0.435 62.767 63.200 0.003 0.000 0.776 512 S HN 0.298 nan 8.310 nan 0.000 0.526 513 A N 2.033 124.857 122.820 0.006 0.000 2.483 513 A HA 0.392 4.712 4.320 -0.000 0.000 0.238 513 A C 1.141 178.730 177.584 0.007 0.000 1.070 513 A CA -0.411 51.632 52.037 0.011 0.000 0.770 513 A CB 0.333 19.345 19.000 0.019 0.000 1.008 513 A HN 0.242 nan 8.150 nan 0.000 0.497 514 K N 1.360 121.765 120.400 0.008 0.000 2.400 514 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 514 K C 0.934 177.540 176.600 0.010 0.000 1.033 514 K CA 0.958 57.249 56.287 0.006 0.000 1.021 514 K CB 0.158 32.660 32.500 0.004 0.000 0.808 514 K HN 0.760 nan 8.250 nan 0.000 0.505 515 G N 1.974 110.785 108.800 0.017 0.000 3.140 515 G HA2 0.406 4.366 3.960 -0.000 0.000 0.271 515 G HA3 0.406 4.366 3.960 -0.000 0.000 0.271 515 G C -2.905 172.024 174.900 0.047 0.000 1.370 515 G CA -1.303 43.813 45.100 0.027 0.000 1.014 515 G HN -0.203 nan 8.290 nan 0.000 0.541 516 P HA 0.356 nan 4.420 nan 0.000 0.271 516 P C -0.846 176.552 177.300 0.163 0.000 1.218 516 P CA -0.086 63.103 63.100 0.149 0.000 0.780 516 P CB 1.663 33.515 31.700 0.253 0.000 0.901 517 V N 3.565 123.598 119.914 0.199 0.000 2.808 517 V HA 0.376 4.495 4.120 -0.000 0.000 0.308 517 V C -0.084 176.177 176.094 0.278 0.000 1.099 517 V CA -0.765 61.643 62.300 0.180 0.000 0.920 517 V CB 2.199 34.080 31.823 0.097 0.000 1.014 517 V HN 0.479 nan 8.190 nan 0.000 0.425 518 L N 5.494 126.859 121.223 0.235 0.000 2.341 518 L HA 0.719 5.059 4.340 -0.000 0.000 0.278 518 L C -1.171 175.789 176.870 0.150 0.000 1.005 518 L CA -0.390 54.596 54.840 0.242 0.000 0.818 518 L CB 1.373 43.538 42.059 0.176 0.000 1.259 518 L HN 0.616 nan 8.230 nan 0.000 0.418 519 I N 4.565 125.212 120.570 0.128 0.000 2.382 519 I HA 0.312 4.481 4.170 -0.000 0.000 0.286 519 I C -0.329 175.820 176.117 0.054 0.000 1.002 519 I CA -0.443 60.905 61.300 0.080 0.000 1.135 519 I CB 1.822 39.858 38.000 0.059 0.000 1.288 519 I HN 0.620 nan 8.210 nan 0.000 0.448 520 E N 6.377 126.613 120.200 0.060 0.000 2.105 520 E HA 0.349 4.699 4.350 -0.000 0.000 0.285 520 E C -1.238 175.374 176.600 0.020 0.000 1.055 520 E CA -0.486 55.937 56.400 0.038 0.000 0.843 520 E CB 1.152 30.927 29.700 0.125 0.000 1.067 520 E HN 0.356 nan 8.360 nan 0.000 0.398 521 V N 3.844 123.748 119.914 -0.018 0.000 2.394 521 V HA 0.157 4.276 4.120 -0.000 0.000 0.282 521 V C -0.007 176.075 176.094 -0.020 0.000 1.031 521 V CA -0.738 61.550 62.300 -0.021 0.000 0.881 521 V CB 1.681 33.477 31.823 -0.044 0.000 0.982 521 V HN 0.617 nan 8.190 nan 0.000 0.451 522 S N 3.861 119.555 115.700 -0.010 0.000 2.405 522 S HA 0.380 4.850 4.470 -0.000 0.000 0.291 522 S C 0.507 175.087 174.600 -0.033 0.000 1.137 522 S CA -0.514 57.682 58.200 -0.007 0.000 1.061 522 S CB 0.315 63.515 63.200 -0.000 0.000 1.001 522 S HN 0.976 nan 8.310 nan 0.000 0.507 523 T N -0.690 113.845 114.554 -0.032 0.000 2.952 523 T HA 0.664 5.014 4.350 -0.000 0.000 0.286 523 T C 0.277 174.945 174.700 -0.052 0.000 1.024 523 T CA -1.013 61.055 62.100 -0.053 0.000 1.029 523 T CB 0.955 69.800 68.868 -0.039 0.000 1.094 523 T HN 0.397 nan 8.240 nan 0.000 0.515 524 V N -0.682 119.177 119.914 -0.092 0.000 2.583 524 V HA 0.742 4.862 4.120 -0.000 0.000 0.287 524 V C 0.676 176.772 176.094 0.002 0.000 1.051 524 V CA -0.273 61.979 62.300 -0.080 0.000 1.010 524 V CB -0.429 31.280 31.823 -0.190 0.000 0.988 524 V HN 1.382 nan 8.190 nan 0.000 0.478 525 S N 0.000 115.714 115.700 0.023 0.000 2.498 525 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 525 S CA 0.000 58.234 58.200 0.057 0.000 1.107 525 S CB 0.000 63.232 63.200 0.053 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517