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_P 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 0.000 177.674 177.584 0.150 0.000 1.274 2 A CA 0.000 52.117 52.037 0.133 0.000 0.836 2 A CB 0.000 19.090 19.000 0.150 0.000 0.831 3 S N -0.532 115.277 115.700 0.182 0.000 2.672 3 S HA 0.501 4.971 4.470 -0.000 0.000 0.276 3 S C 0.999 175.766 174.600 0.278 0.000 1.207 3 S CA 0.084 58.413 58.200 0.216 0.000 1.002 3 S CB 1.150 64.493 63.200 0.238 0.000 0.998 3 S HN 1.394 nan 8.310 nan 0.000 0.542 4 V N 1.603 121.691 119.914 0.290 0.000 2.392 4 V HA -0.202 3.918 4.120 -0.000 0.000 0.249 4 V C 2.549 178.960 176.094 0.528 0.000 1.059 4 V CA 2.267 64.758 62.300 0.318 0.000 1.051 4 V CB -1.422 30.518 31.823 0.196 0.000 0.658 4 V HN 1.037 nan 8.190 nan 0.000 0.455 5 H N 0.829 120.216 119.070 0.529 0.000 2.267 5 H HA -0.156 4.400 4.556 -0.000 0.000 0.297 5 H C 2.325 177.892 175.328 0.399 0.000 1.080 5 H CA 2.289 58.664 56.048 0.544 0.000 1.278 5 H CB -0.512 29.472 29.762 0.371 0.000 1.365 5 H HN 0.403 nan 8.280 nan 0.000 0.489 6 G N -0.410 108.657 108.800 0.445 0.000 2.446 6 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 6 G HA3 -0.274 3.686 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 1.548 46.822 45.100 0.290 0.000 0.771 6 G HN 0.471 nan 8.290 nan 0.000 0.551 7 T N 0.933 115.660 114.554 0.289 0.000 2.759 7 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 7 T C 2.616 177.522 174.700 0.344 0.000 1.042 7 T CA 1.803 64.118 62.100 0.358 0.000 1.140 7 T CB -0.491 68.584 68.868 0.345 0.000 0.864 7 T HN 0.311 nan 8.240 nan 0.000 0.455 8 T N 0.818 115.542 114.554 0.284 0.000 2.737 8 T HA -0.061 4.289 4.350 -0.000 0.000 0.265 8 T C 1.638 176.344 174.700 0.010 0.000 1.038 8 T CA 1.100 63.323 62.100 0.204 0.000 1.144 8 T CB -0.524 68.533 68.868 0.315 0.000 0.866 8 T HN 0.446 nan 8.240 nan 0.000 0.434 9 Y N 1.184 121.428 120.300 -0.094 0.000 2.274 9 Y HA -0.086 4.464 4.550 -0.000 0.000 0.290 9 Y C 2.640 178.474 175.900 -0.110 0.000 1.145 9 Y CA 1.091 59.018 58.100 -0.287 0.000 1.203 9 Y CB -0.107 38.006 38.460 -0.578 0.000 0.984 9 Y HN 0.173 nan 8.280 nan 0.000 0.533 10 E N 0.541 120.762 120.200 0.035 0.000 2.047 10 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 10 E C 2.024 178.498 176.600 -0.211 0.000 0.987 10 E CA 1.001 57.290 56.400 -0.185 0.000 0.799 10 E CB -0.557 28.870 29.700 -0.455 0.000 0.752 10 E HN 0.342 nan 8.360 nan 0.000 0.449 11 L N 0.314 121.564 121.223 0.045 0.000 2.012 11 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 11 L C 2.178 179.129 176.870 0.136 0.000 1.073 11 L CA 1.748 56.745 54.840 0.261 0.000 0.748 11 L CB -0.662 41.625 42.059 0.381 0.000 0.891 11 L HN 0.281 nan 8.230 nan 0.000 0.431 12 L N -0.331 120.955 121.223 0.104 0.000 1.989 12 L HA -0.247 4.093 4.340 -0.000 0.000 0.211 12 L C 2.908 179.856 176.870 0.130 0.000 1.071 12 L CA 2.102 57.007 54.840 0.110 0.000 0.749 12 L CB -0.732 41.369 42.059 0.071 0.000 0.890 12 L HN 0.427 nan 8.230 nan 0.000 0.431 13 R N -0.318 120.297 120.500 0.191 0.000 2.075 13 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 13 R C 2.235 178.524 176.300 -0.017 0.000 1.126 13 R CA 0.856 56.972 56.100 0.027 0.000 0.963 13 R CB -0.494 29.844 30.300 0.064 0.000 0.858 13 R HN 0.183 nan 8.270 nan 0.000 0.435 14 R N 0.636 121.128 120.500 -0.012 0.000 2.193 14 R HA -0.010 4.330 4.340 -0.000 0.000 0.229 14 R C 1.396 177.728 176.300 0.054 0.000 1.110 14 R CA 0.876 56.979 56.100 0.004 0.000 0.988 14 R CB -0.107 30.189 30.300 -0.008 0.000 0.871 14 R HN 0.432 nan 8.270 nan 0.000 0.458 15 Q N -0.601 119.233 119.800 0.055 0.000 2.246 15 Q HA 0.156 4.496 4.340 -0.000 0.000 0.202 15 Q C 0.689 176.702 176.000 0.023 0.000 0.883 15 Q CA 0.383 56.215 55.803 0.048 0.000 0.952 15 Q CB 0.955 29.713 28.738 0.033 0.000 1.078 15 Q HN 0.521 nan 8.270 nan 0.000 0.493 16 G N 1.139 109.940 108.800 0.003 0.000 2.176 16 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.253 16 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.253 16 G C 0.246 175.124 174.900 -0.038 0.000 0.979 16 G CA -0.056 45.033 45.100 -0.019 0.000 0.641 16 G HN 0.358 nan 8.290 nan 0.000 0.530 17 I N 1.476 122.023 120.570 -0.040 0.000 2.395 17 I HA 0.445 4.615 4.170 -0.000 0.000 0.289 17 I C 0.692 176.602 176.117 -0.345 0.000 1.023 17 I CA 0.149 61.423 61.300 -0.044 0.000 1.350 17 I CB 1.343 39.387 38.000 0.073 0.000 1.409 17 I HN 0.249 nan 8.210 nan 0.000 0.507 18 D N 1.508 121.682 120.400 -0.376 0.000 2.530 18 D HA 0.075 4.715 4.640 -0.000 0.000 0.253 18 D C -0.121 175.961 176.300 -0.365 0.000 1.338 18 D CA -0.033 53.477 54.000 -0.816 0.000 0.806 18 D CB 0.486 40.956 40.800 -0.550 0.000 1.160 18 D HN 0.283 nan 8.370 nan 0.000 0.514 19 T N 0.237 114.738 114.554 -0.089 0.000 2.881 19 T HA 0.585 4.935 4.350 -0.000 0.000 0.290 19 T C -0.851 173.857 174.700 0.014 0.000 1.000 19 T CA -0.599 61.430 62.100 -0.118 0.000 0.978 19 T CB 2.529 71.158 68.868 -0.400 0.000 0.997 19 T HN -0.117 nan 8.240 nan 0.000 0.443 20 V N 3.952 123.869 119.914 0.004 0.000 2.378 20 V HA 0.514 4.634 4.120 -0.000 0.000 0.288 20 V C -1.013 174.862 176.094 -0.366 0.000 1.016 20 V CA -0.843 61.572 62.300 0.192 0.000 0.840 20 V CB 0.713 32.877 31.823 0.568 0.000 0.994 20 V HN 0.792 nan 8.190 nan 0.000 0.431 21 F N 3.191 123.095 119.950 -0.077 0.000 2.415 21 F HA 0.856 5.383 4.527 -0.000 0.000 0.348 21 F C 0.881 176.554 175.800 -0.211 0.000 1.119 21 F CA -0.071 57.781 58.000 -0.247 0.000 1.069 21 F CB 1.899 40.811 39.000 -0.147 0.000 1.124 21 F HN 0.664 nan 8.300 nan 0.000 0.472 22 G N 2.141 110.832 108.800 -0.182 0.000 2.488 22 G HA2 0.267 4.227 3.960 -0.000 0.000 0.301 22 G HA3 0.267 4.227 3.960 -0.000 0.000 0.301 22 G C -2.247 172.746 174.900 0.155 0.000 1.339 22 G CA -0.917 44.202 45.100 0.032 0.000 0.803 22 G HN 0.531 nan 8.290 nan 0.000 0.482 23 N N 1.136 119.974 118.700 0.230 0.000 2.558 23 N HA 0.380 5.120 4.740 -0.000 0.000 0.285 23 N C -2.786 172.845 175.510 0.200 0.000 1.112 23 N CA -1.153 52.022 53.050 0.208 0.000 0.857 23 N CB 3.052 41.618 38.487 0.131 0.000 1.376 23 N HN 0.380 nan 8.380 nan 0.000 0.526 24 P HA 0.244 nan 4.420 nan 0.000 0.269 24 P C -0.154 177.112 177.300 -0.058 0.000 1.217 24 P CA 0.199 63.345 63.100 0.077 0.000 0.783 24 P CB 1.228 32.919 31.700 -0.015 0.000 0.898 25 G N -0.711 108.022 108.800 -0.111 0.000 2.660 25 G HA2 0.360 4.320 3.960 -0.000 0.000 0.290 25 G HA3 0.360 4.320 3.960 -0.000 0.000 0.290 25 G C 0.733 175.526 174.900 -0.178 0.000 1.432 25 G CA 0.064 44.873 45.100 -0.486 0.000 0.807 25 G HN 0.429 nan 8.290 nan 0.000 0.485 26 S N 0.162 115.754 115.700 -0.179 0.000 2.370 26 S HA -0.169 4.301 4.470 -0.000 0.000 0.226 26 S C 1.741 176.302 174.600 -0.066 0.000 1.033 26 S CA 1.755 59.900 58.200 -0.093 0.000 1.011 26 S CB -0.311 62.831 63.200 -0.097 0.000 0.852 26 S HN 0.439 nan 8.310 nan 0.000 0.457 27 N N 1.959 120.758 118.700 0.165 0.000 2.443 27 N HA -0.024 4.716 4.740 -0.000 0.000 0.184 27 N C 1.115 176.806 175.510 0.302 0.000 1.037 27 N CA 1.272 54.465 53.050 0.238 0.000 0.896 27 N CB -0.330 38.359 38.487 0.337 0.000 0.959 27 N HN 0.634 nan 8.380 nan 0.000 0.442 28 E N -0.491 119.863 120.200 0.257 0.000 2.460 28 E HA 0.209 4.559 4.350 -0.000 0.000 0.200 28 E C 1.777 178.499 176.600 0.204 0.000 1.011 28 E CA -0.149 56.426 56.400 0.292 0.000 0.912 28 E CB 0.044 29.925 29.700 0.302 0.000 0.953 28 E HN 0.219 nan 8.360 nan 0.000 0.494 29 L N 1.036 122.309 121.223 0.082 0.000 2.042 29 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 29 L C -0.653 176.244 176.870 0.045 0.000 1.076 29 L CA 1.509 56.356 54.840 0.012 0.000 0.749 29 L CB -1.404 40.622 42.059 -0.055 0.000 0.893 29 L HN 0.138 nan 8.230 nan 0.000 0.432 30 P HA -0.205 nan 4.420 nan 0.000 0.221 30 P C 1.311 178.684 177.300 0.121 0.000 1.145 30 P CA 1.315 64.539 63.100 0.207 0.000 0.795 30 P CB 0.006 31.988 31.700 0.470 0.000 0.775 31 F N -0.363 119.428 119.950 -0.265 0.000 2.262 31 F HA 0.083 4.610 4.527 -0.000 0.000 0.292 31 F C 1.696 177.459 175.800 -0.062 0.000 1.081 31 F CA 1.001 58.610 58.000 -0.653 0.000 1.355 31 F CB -0.638 37.731 39.000 -1.052 0.000 1.069 31 F HN -0.291 nan 8.300 nan 0.000 0.506 32 L N 1.089 122.206 121.223 -0.176 0.000 2.313 32 L HA -0.031 4.309 4.340 -0.000 0.000 0.214 32 L C 1.056 177.868 176.870 -0.096 0.000 1.119 32 L CA 0.215 54.947 54.840 -0.180 0.000 0.809 32 L CB -0.824 41.145 42.059 -0.151 0.000 0.933 32 L HN 0.045 nan 8.230 nan 0.000 0.449 33 K N 0.257 120.612 120.400 -0.074 0.000 2.414 33 K HA -0.064 4.255 4.320 -0.000 0.000 0.272 33 K C -0.312 176.226 176.600 -0.104 0.000 0.993 33 K CA -0.128 56.102 56.287 -0.095 0.000 0.964 33 K CB 0.352 32.788 32.500 -0.107 0.000 0.925 33 K HN 0.001 nan 8.250 nan 0.000 0.487 34 D N 0.623 120.956 120.400 -0.111 0.000 2.723 34 D HA -0.212 4.428 4.640 -0.000 0.000 0.236 34 D C -0.729 175.477 176.300 -0.157 0.000 1.138 34 D CA 0.758 54.680 54.000 -0.129 0.000 0.676 34 D CB -1.311 39.369 40.800 -0.199 0.000 1.069 34 D HN 0.509 nan 8.370 nan 0.000 0.430 35 F N 1.148 120.910 119.950 -0.313 0.000 2.569 35 F HA 0.145 4.672 4.527 -0.000 0.000 0.395 35 F C -1.375 174.193 175.800 -0.386 0.000 1.028 35 F CA -1.290 56.451 58.000 -0.431 0.000 1.158 35 F CB 0.293 39.127 39.000 -0.276 0.000 1.023 35 F HN -0.132 nan 8.300 nan 0.000 0.547 36 P HA -0.055 nan 4.420 nan 0.000 0.265 36 P C 0.275 177.393 177.300 -0.303 0.000 1.187 36 P CA 0.301 63.055 63.100 -0.578 0.000 0.766 36 P CB 0.478 31.748 31.700 -0.717 0.000 0.820 37 E N 1.438 121.560 120.200 -0.129 0.000 2.418 37 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 37 E C 0.705 177.297 176.600 -0.013 0.000 1.026 37 E CA 0.829 57.205 56.400 -0.040 0.000 0.862 37 E CB -0.074 29.608 29.700 -0.030 0.000 0.799 37 E HN 0.615 nan 8.360 nan 0.000 0.518 38 D N -0.262 120.139 120.400 0.002 0.000 2.328 38 D HA -0.022 4.618 4.640 -0.000 0.000 0.221 38 D C 0.034 176.271 176.300 -0.104 0.000 1.072 38 D CA -0.019 53.963 54.000 -0.030 0.000 0.850 38 D CB -0.141 40.632 40.800 -0.046 0.000 0.922 38 D HN -0.042 nan 8.370 nan 0.000 0.516 39 F N 1.143 120.942 119.950 -0.252 0.000 2.556 39 F HA 0.486 5.013 4.527 -0.000 0.000 0.327 39 F C 0.609 176.406 175.800 -0.005 0.000 1.059 39 F CA -1.172 56.674 58.000 -0.256 0.000 0.953 39 F CB 1.737 40.336 39.000 -0.668 0.000 1.227 39 F HN -0.219 nan 8.300 nan 0.000 0.478 40 R N 1.039 121.726 120.500 0.312 0.000 2.686 40 R HA 0.577 4.917 4.340 -0.000 0.000 0.283 40 R C -2.237 174.267 176.300 0.340 0.000 0.978 40 R CA -0.881 55.412 56.100 0.321 0.000 0.897 40 R CB 1.766 32.090 30.300 0.040 0.000 1.192 40 R HN 0.684 nan 8.270 nan 0.000 0.457 41 Y N 3.313 123.653 120.300 0.067 0.000 2.341 41 Y HA 0.461 5.011 4.550 -0.000 0.000 0.337 41 Y C -0.842 174.902 175.900 -0.259 0.000 1.014 41 Y CA -1.207 56.798 58.100 -0.159 0.000 1.111 41 Y CB 1.444 39.640 38.460 -0.440 0.000 1.194 41 Y HN 0.525 nan 8.280 nan 0.000 0.462 42 I N 8.077 128.207 120.570 -0.733 0.000 2.354 42 I HA 0.199 4.369 4.170 -0.000 0.000 0.286 42 I C -0.868 175.038 176.117 -0.352 0.000 1.007 42 I CA -0.784 60.114 61.300 -0.670 0.000 1.167 42 I CB 1.000 38.530 38.000 -0.783 0.000 1.320 42 I HN 0.507 nan 8.210 nan 0.000 0.458 43 L N 6.762 128.101 121.223 0.193 0.000 2.312 43 L HA 0.813 5.153 4.340 -0.000 0.000 0.281 43 L C -0.097 177.021 176.870 0.414 0.000 1.070 43 L CA 0.118 55.189 54.840 0.385 0.000 0.805 43 L CB 1.374 43.805 42.059 0.619 0.000 1.174 43 L HN 0.695 nan 8.230 nan 0.000 0.434 44 A N 4.829 127.816 122.820 0.277 0.000 2.401 44 A HA 0.542 4.862 4.320 -0.000 0.000 0.310 44 A C 0.406 178.062 177.584 0.120 0.000 1.075 44 A CA -0.637 51.538 52.037 0.231 0.000 0.746 44 A CB 1.082 20.171 19.000 0.148 0.000 1.277 44 A HN 0.872 nan 8.150 nan 0.000 0.425 45 L N 0.010 121.246 121.223 0.023 0.000 2.376 45 L HA 0.047 4.387 4.340 -0.000 0.000 0.219 45 L C 0.968 177.812 176.870 -0.044 0.000 1.133 45 L CA 0.981 55.757 54.840 -0.107 0.000 0.816 45 L CB -0.041 41.867 42.059 -0.252 0.000 0.933 45 L HN 0.704 nan 8.230 nan 0.000 0.449 46 Q N -0.549 119.252 119.800 0.002 0.000 2.340 46 Q HA 0.115 4.455 4.340 -0.000 0.000 0.276 46 Q C -0.146 175.883 176.000 0.047 0.000 1.048 46 Q CA -0.304 55.513 55.803 0.023 0.000 0.832 46 Q CB 2.360 31.108 28.738 0.017 0.000 1.373 46 Q HN -0.025 nan 8.270 nan 0.000 0.409 47 E N 1.414 121.649 120.200 0.059 0.000 2.171 47 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 47 E C 1.519 178.154 176.600 0.058 0.000 0.997 47 E CA 1.965 58.405 56.400 0.067 0.000 0.810 47 E CB -0.011 29.734 29.700 0.074 0.000 0.738 47 E HN 0.662 nan 8.360 nan 0.000 0.467 48 A N -0.029 122.825 122.820 0.056 0.000 1.972 48 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 48 A C 2.291 179.905 177.584 0.050 0.000 1.169 48 A CA 1.398 53.470 52.037 0.058 0.000 0.635 48 A CB -0.721 18.323 19.000 0.073 0.000 0.810 48 A HN 0.426 nan 8.150 nan 0.000 0.446 49 C N -1.573 117.753 119.300 0.044 0.000 2.486 49 C HA 0.029 4.489 4.460 -0.000 0.000 0.279 49 C C 2.655 177.662 174.990 0.029 0.000 1.302 49 C CA 0.596 59.633 59.018 0.032 0.000 1.720 49 C CB -1.170 26.589 27.740 0.031 0.000 2.030 49 C HN 0.437 nan 8.230 nan 0.000 0.490 50 V N 1.245 121.188 119.914 0.048 0.000 2.233 50 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 50 V C 2.476 178.569 176.094 -0.002 0.000 1.050 50 V CA 2.355 64.690 62.300 0.057 0.000 1.010 50 V CB -0.815 31.057 31.823 0.081 0.000 0.637 50 V HN 0.449 nan 8.190 nan 0.000 0.444 51 V N 0.744 120.661 119.914 0.005 0.000 2.427 51 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 51 V C 2.600 178.667 176.094 -0.045 0.000 1.051 51 V CA 1.994 64.282 62.300 -0.020 0.000 1.048 51 V CB -1.392 30.446 31.823 0.025 0.000 0.666 51 V HN 0.629 nan 8.190 nan 0.000 0.456 52 G N 0.104 108.891 108.800 -0.021 0.000 2.421 52 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 52 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 52 G C 1.568 176.369 174.900 -0.165 0.000 1.171 52 G CA 1.082 46.154 45.100 -0.046 0.000 0.775 52 G HN 0.483 nan 8.290 nan 0.000 0.543 53 I N 1.376 121.848 120.570 -0.164 0.000 2.179 53 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 53 I C 3.324 179.166 176.117 -0.459 0.000 1.088 53 I CA 1.041 62.211 61.300 -0.216 0.000 1.357 53 I CB -0.314 37.638 38.000 -0.081 0.000 1.051 53 I HN 0.245 nan 8.210 nan 0.000 0.409 54 A N 0.247 122.632 122.820 -0.726 0.000 1.940 54 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 54 A C 2.074 179.413 177.584 -0.408 0.000 1.176 54 A CA 2.185 53.568 52.037 -1.089 0.000 0.631 54 A CB -0.645 17.874 19.000 -0.802 0.000 0.814 54 A HN 0.444 nan 8.150 nan 0.000 0.446 55 D N -0.342 119.935 120.400 -0.207 0.000 2.084 55 D HA -0.092 4.548 4.640 -0.000 0.000 0.194 55 D C 2.116 178.379 176.300 -0.060 0.000 0.990 55 D CA 1.715 55.691 54.000 -0.038 0.000 0.826 55 D CB -0.627 40.246 40.800 0.122 0.000 0.971 55 D HN 0.311 nan 8.370 nan 0.000 0.453 56 G N -0.882 107.822 108.800 -0.161 0.000 2.440 56 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 56 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 56 G C 1.696 176.481 174.900 -0.193 0.000 1.154 56 G CA 0.960 45.896 45.100 -0.274 0.000 0.767 56 G HN 0.368 nan 8.290 nan 0.000 0.552 57 Y N 1.970 122.115 120.300 -0.259 0.000 2.181 57 Y HA -0.027 4.522 4.550 -0.000 0.000 0.288 57 Y C 2.932 178.779 175.900 -0.089 0.000 1.146 57 Y CA 1.480 59.489 58.100 -0.153 0.000 1.164 57 Y CB -0.350 38.015 38.460 -0.159 0.000 0.982 57 Y HN 0.252 nan 8.280 nan 0.000 0.515 58 A N -0.005 122.809 122.820 -0.010 0.000 1.873 58 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 58 A C 2.120 179.677 177.584 -0.046 0.000 1.186 58 A CA 1.817 53.842 52.037 -0.019 0.000 0.616 58 A CB -0.731 18.292 19.000 0.038 0.000 0.823 58 A HN 0.640 nan 8.150 nan 0.000 0.442 59 Q N -0.717 119.060 119.800 -0.038 0.000 2.084 59 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 59 Q C 2.407 178.433 176.000 0.043 0.000 0.978 59 Q CA 1.443 57.265 55.803 0.031 0.000 0.844 59 Q CB -0.334 28.438 28.738 0.056 0.000 0.898 59 Q HN 0.691 nan 8.270 nan 0.000 0.426 60 A N 1.046 123.817 122.820 -0.082 0.000 1.898 60 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 60 A C 2.234 179.771 177.584 -0.079 0.000 1.183 60 A CA 1.480 53.502 52.037 -0.024 0.000 0.622 60 A CB -0.462 18.478 19.000 -0.101 0.000 0.824 60 A HN 0.423 nan 8.150 nan 0.000 0.444 61 S N -1.197 114.376 115.700 -0.212 0.000 2.481 61 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 61 S C 0.967 175.500 174.600 -0.111 0.000 0.996 61 S CA 0.701 58.759 58.200 -0.237 0.000 0.942 61 S CB -0.380 62.527 63.200 -0.489 0.000 0.768 61 S HN 0.522 nan 8.310 nan 0.000 0.520 62 R N 0.371 120.836 120.500 -0.059 0.000 3.641 62 R HA -0.119 4.221 4.340 -0.000 0.000 0.286 62 R C -0.884 175.411 176.300 -0.008 0.000 1.153 62 R CA 1.002 57.097 56.100 -0.009 0.000 0.775 62 R CB -1.981 28.324 30.300 0.007 0.000 1.215 62 R HN 0.565 nan 8.270 nan 0.000 0.474 63 K N -0.034 120.355 120.400 -0.018 0.000 2.508 63 K HA 0.432 4.752 4.320 -0.000 0.000 0.260 63 K C -2.550 174.080 176.600 0.051 0.000 0.949 63 K CA -2.034 54.261 56.287 0.013 0.000 0.834 63 K CB 2.585 35.089 32.500 0.007 0.000 1.365 63 K HN -0.218 nan 8.250 nan 0.000 0.437 64 P HA 0.033 nan 4.420 nan 0.000 0.269 64 P C -1.282 176.140 177.300 0.203 0.000 1.215 64 P CA -0.199 62.971 63.100 0.117 0.000 0.780 64 P CB 0.816 32.578 31.700 0.104 0.000 0.898 65 A N 2.940 125.893 122.820 0.223 0.000 2.342 65 A HA 0.564 4.884 4.320 -0.000 0.000 0.323 65 A C -1.099 176.689 177.584 0.340 0.000 1.125 65 A CA -0.655 51.584 52.037 0.337 0.000 0.785 65 A CB 0.501 19.629 19.000 0.213 0.000 1.221 65 A HN 0.501 nan 8.150 nan 0.000 0.463 66 F N 2.768 122.907 119.950 0.315 0.000 2.408 66 F HA 0.704 5.231 4.527 -0.000 0.000 0.344 66 F C -0.409 175.577 175.800 0.309 0.000 1.112 66 F CA -0.496 57.664 58.000 0.267 0.000 1.096 66 F CB 0.678 39.832 39.000 0.258 0.000 1.129 66 F HN 0.430 nan 8.300 nan 0.000 0.486 67 I N 4.772 125.128 120.570 -0.357 0.000 2.569 67 I HA 0.311 4.481 4.170 -0.000 0.000 0.296 67 I C -1.144 174.788 176.117 -0.308 0.000 1.028 67 I CA -0.984 60.229 61.300 -0.144 0.000 1.082 67 I CB 2.228 40.192 38.000 -0.059 0.000 1.264 67 I HN 0.523 nan 8.210 nan 0.000 0.429 68 N N 6.002 124.709 118.700 0.012 0.000 2.540 68 N HA 0.566 5.306 4.740 -0.000 0.000 0.275 68 N C -1.583 174.017 175.510 0.150 0.000 1.053 68 N CA -0.319 52.789 53.050 0.097 0.000 0.876 68 N CB 1.004 39.721 38.487 0.383 0.000 1.284 68 N HN 0.470 nan 8.380 nan 0.000 0.518 69 L N 1.077 122.367 121.223 0.111 0.000 2.304 69 L HA 0.484 4.824 4.340 -0.000 0.000 0.268 69 L C -0.265 176.725 176.870 0.200 0.000 1.010 69 L CA -1.229 53.705 54.840 0.157 0.000 0.813 69 L CB 1.242 43.384 42.059 0.138 0.000 1.315 69 L HN 0.564 nan 8.230 nan 0.000 0.445 70 H N 0.500 119.633 119.070 0.105 0.000 2.690 70 H HA 0.306 4.861 4.556 -0.000 0.000 0.289 70 H C 0.303 175.688 175.328 0.096 0.000 1.089 70 H CA 0.633 56.740 56.048 0.100 0.000 1.299 70 H CB 0.707 30.520 29.762 0.084 0.000 1.405 70 H HN 0.697 nan 8.280 nan 0.000 0.463 71 S N 2.962 118.503 115.700 -0.266 0.000 3.055 71 S HA -0.380 4.090 4.470 -0.000 0.000 0.628 71 S C 1.790 176.351 174.600 -0.064 0.000 3.040 71 S CA 1.671 59.740 58.200 -0.217 0.000 3.787 71 S CB -1.263 61.682 63.200 -0.425 0.000 0.299 71 S HN 1.097 nan 8.310 nan 0.000 1.470 72 A N 0.517 123.301 122.820 -0.060 0.000 1.855 72 A HA 0.258 4.578 4.320 -0.000 0.000 0.215 72 A C 2.692 180.272 177.584 -0.006 0.000 1.191 72 A CA 2.799 54.827 52.037 -0.016 0.000 0.613 72 A CB -1.636 17.350 19.000 -0.023 0.000 0.829 72 A HN 1.770 nan 8.150 nan 0.000 0.442 73 A N -0.476 122.341 122.820 -0.005 0.000 1.917 73 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 73 A C 2.426 180.043 177.584 0.055 0.000 1.182 73 A CA 2.195 54.251 52.037 0.031 0.000 0.633 73 A CB -1.466 17.570 19.000 0.061 0.000 0.819 73 A HN 0.768 nan 8.150 nan 0.000 0.448 74 G N -1.367 107.480 108.800 0.079 0.000 2.421 74 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.216 74 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.216 74 G C 1.589 176.540 174.900 0.086 0.000 1.171 74 G CA 1.631 46.798 45.100 0.111 0.000 0.775 74 G HN 0.433 nan 8.290 nan 0.000 0.543 75 T N 1.080 115.683 114.554 0.081 0.000 2.708 75 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 75 T C 2.497 177.199 174.700 0.002 0.000 1.037 75 T CA 1.522 63.663 62.100 0.068 0.000 1.146 75 T CB -0.674 68.236 68.868 0.070 0.000 0.865 75 T HN 0.359 nan 8.240 nan 0.000 0.435 76 G N 2.284 111.081 108.800 -0.005 0.000 2.476 76 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 76 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 76 G C 1.591 176.493 174.900 0.004 0.000 1.164 76 G CA 0.766 45.856 45.100 -0.017 0.000 0.768 76 G HN 0.402 nan 8.290 nan 0.000 0.560 77 N N 1.049 119.765 118.700 0.027 0.000 2.443 77 N HA -0.013 4.727 4.740 -0.000 0.000 0.184 77 N C 1.931 177.464 175.510 0.039 0.000 1.037 77 N CA 0.985 54.057 53.050 0.037 0.000 0.896 77 N CB -0.125 38.392 38.487 0.049 0.000 0.959 77 N HN 0.370 nan 8.380 nan 0.000 0.442 78 A N -0.322 122.518 122.820 0.032 0.000 2.348 78 A HA 0.178 4.498 4.320 -0.000 0.000 0.224 78 A C 1.890 179.483 177.584 0.014 0.000 1.227 78 A CA -0.114 51.943 52.037 0.034 0.000 0.885 78 A CB 0.037 19.065 19.000 0.046 0.000 0.933 78 A HN -0.004 nan 8.150 nan 0.000 0.506 79 M N -0.113 119.481 119.600 -0.009 0.000 2.108 79 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 79 M C 2.204 178.492 176.300 -0.021 0.000 1.066 79 M CA 1.713 56.992 55.300 -0.034 0.000 1.107 79 M CB -1.697 30.871 32.600 -0.052 0.000 1.356 79 M HN 0.472 nan 8.290 nan 0.000 0.406 80 G N -0.135 108.664 108.800 -0.002 0.000 2.418 80 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.217 80 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.217 80 G C 1.680 176.583 174.900 0.004 0.000 1.158 80 G CA 1.284 46.382 45.100 -0.003 0.000 0.771 80 G HN 0.554 nan 8.290 nan 0.000 0.545 81 A N 0.556 123.394 122.820 0.030 0.000 1.902 81 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 81 A C 2.412 180.024 177.584 0.046 0.000 1.181 81 A CA 1.207 53.278 52.037 0.056 0.000 0.623 81 A CB -0.392 18.650 19.000 0.070 0.000 0.818 81 A HN 0.357 nan 8.150 nan 0.000 0.443 82 L N 0.517 121.761 121.223 0.035 0.000 2.191 82 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 82 L C 2.994 179.902 176.870 0.064 0.000 1.103 82 L CA 1.425 56.297 54.840 0.053 0.000 0.769 82 L CB -0.490 41.587 42.059 0.030 0.000 0.908 82 L HN 0.660 nan 8.230 nan 0.000 0.438 83 S N -0.342 115.366 115.700 0.014 0.000 2.382 83 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 83 S C 1.768 176.387 174.600 0.032 0.000 1.027 83 S CA 1.193 59.397 58.200 0.006 0.000 0.991 83 S CB -0.350 62.824 63.200 -0.044 0.000 0.823 83 S HN 0.432 nan 8.310 nan 0.000 0.469 84 N N 2.501 121.185 118.700 -0.028 0.000 2.106 84 N HA 0.095 4.834 4.740 -0.000 0.000 0.188 84 N C 2.122 177.591 175.510 -0.069 0.000 1.029 84 N CA 1.469 54.447 53.050 -0.120 0.000 0.848 84 N CB -1.015 37.317 38.487 -0.259 0.000 1.007 84 N HN 0.596 nan 8.380 nan 0.000 0.423 85 A N 1.559 124.384 122.820 0.008 0.000 1.948 85 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 85 A C 2.042 179.669 177.584 0.072 0.000 1.177 85 A CA 1.240 53.304 52.037 0.046 0.000 0.636 85 A CB -1.121 17.932 19.000 0.088 0.000 0.815 85 A HN 0.615 nan 8.150 nan 0.000 0.449 86 W N 1.065 122.334 121.300 -0.050 0.000 2.358 86 W HA -0.182 4.478 4.660 -0.000 0.000 0.303 86 W C 1.360 177.806 176.519 -0.122 0.000 1.208 86 W CA 1.965 59.284 57.345 -0.044 0.000 1.274 86 W CB -0.492 28.947 29.460 -0.036 0.000 1.138 86 W HN 0.414 nan 8.180 nan 0.000 0.515 87 N N 0.314 119.016 118.700 0.004 0.000 2.331 87 N HA -0.144 4.596 4.740 -0.000 0.000 0.180 87 N C 1.788 177.100 175.510 -0.329 0.000 1.019 87 N CA 2.035 54.989 53.050 -0.160 0.000 0.881 87 N CB -0.447 38.015 38.487 -0.041 0.000 0.972 87 N HN 0.130 nan 8.380 nan 0.000 0.435 88 S N -1.518 114.044 115.700 -0.230 0.000 2.556 88 S HA 0.094 4.563 4.470 -0.000 0.000 0.216 88 S C -0.119 174.428 174.600 -0.087 0.000 0.970 88 S CA -0.295 57.813 58.200 -0.153 0.000 0.912 88 S CB -0.544 62.619 63.200 -0.061 0.000 0.790 88 S HN 0.401 nan 8.310 nan 0.000 0.504 89 H N 0.791 119.788 119.070 -0.122 0.000 2.791 89 H HA -0.130 4.426 4.556 -0.000 0.000 0.302 89 H C -0.661 174.633 175.328 -0.058 0.000 1.198 89 H CA 0.388 56.351 56.048 -0.141 0.000 1.145 89 H CB -2.148 27.543 29.762 -0.120 0.000 1.385 89 H HN 0.373 nan 8.280 nan 0.000 0.409 90 S N 2.532 118.270 115.700 0.062 0.000 2.481 90 S HA 0.114 4.584 4.470 -0.000 0.000 0.276 90 S C -1.803 172.838 174.600 0.068 0.000 1.247 90 S CA -0.979 57.262 58.200 0.068 0.000 1.053 90 S CB 0.906 64.145 63.200 0.064 0.000 0.925 90 S HN 0.211 nan 8.310 nan 0.000 0.491 91 P HA 0.182 nan 4.420 nan 0.000 0.263 91 P C -1.049 176.300 177.300 0.082 0.000 1.601 91 P CA 0.018 63.159 63.100 0.068 0.000 1.161 91 P CB -0.187 31.547 31.700 0.056 0.000 1.730 92 L N 4.556 125.832 121.223 0.088 0.000 2.313 92 L HA 0.506 4.846 4.340 -0.000 0.000 0.283 92 L C 0.683 177.606 176.870 0.088 0.000 1.013 92 L CA -0.977 53.912 54.840 0.082 0.000 0.816 92 L CB 1.935 44.034 42.059 0.067 0.000 1.236 92 L HN 0.158 nan 8.230 nan 0.000 0.419 93 I N 4.255 124.863 120.570 0.063 0.000 2.310 93 I HA 0.198 4.368 4.170 -0.000 0.000 0.287 93 I C -0.307 175.718 176.117 -0.152 0.000 1.073 93 I CA -0.529 60.782 61.300 0.019 0.000 1.216 93 I CB 1.256 39.311 38.000 0.091 0.000 1.415 93 I HN 0.246 nan 8.210 nan 0.000 0.480 94 V N 5.300 125.183 119.914 -0.052 0.000 2.368 94 V HA 0.271 4.391 4.120 -0.000 0.000 0.266 94 V C 0.593 176.572 176.094 -0.192 0.000 1.045 94 V CA -0.365 61.893 62.300 -0.072 0.000 0.899 94 V CB 1.062 32.976 31.823 0.153 0.000 1.006 94 V HN 0.794 nan 8.190 nan 0.000 0.470 95 T N 2.315 116.672 114.554 -0.329 0.000 2.823 95 T HA 0.861 5.211 4.350 -0.000 0.000 0.279 95 T C -0.401 174.162 174.700 -0.229 0.000 0.998 95 T CA -0.541 61.355 62.100 -0.340 0.000 0.994 95 T CB 1.946 70.616 68.868 -0.331 0.000 0.960 95 T HN 0.939 nan 8.240 nan 0.000 0.448 96 A N 2.084 124.743 122.820 -0.269 0.000 2.393 96 A HA 0.860 5.180 4.320 -0.000 0.000 0.306 96 A C 0.400 177.966 177.584 -0.030 0.000 1.050 96 A CA -0.736 51.248 52.037 -0.089 0.000 0.724 96 A CB 1.221 20.212 19.000 -0.015 0.000 1.248 96 A HN 1.331 nan 8.150 nan 0.000 0.424 97 G N 0.676 109.527 108.800 0.085 0.000 2.378 97 G HA2 0.458 4.418 3.960 -0.000 0.000 0.255 97 G HA3 0.458 4.418 3.960 -0.000 0.000 0.255 97 G C -0.101 174.857 174.900 0.098 0.000 1.270 97 G CA 0.043 45.243 45.100 0.168 0.000 0.876 97 G HN 0.845 nan 8.290 nan 0.000 0.521 98 Q N 0.658 120.523 119.800 0.109 0.000 2.204 98 Q HA 0.339 4.679 4.340 -0.000 0.000 0.254 98 Q C 0.358 176.440 176.000 0.136 0.000 0.981 98 Q CA -0.630 55.205 55.803 0.055 0.000 0.897 98 Q CB 0.991 29.715 28.738 -0.024 0.000 1.273 98 Q HN 0.508 nan 8.270 nan 0.000 0.464 99 Q N 0.202 120.050 119.800 0.080 0.000 2.535 99 Q HA 0.104 4.444 4.340 -0.000 0.000 0.228 99 Q C -0.574 175.332 176.000 -0.157 0.000 1.062 99 Q CA 0.199 56.062 55.803 0.100 0.000 0.967 99 Q CB 0.797 29.570 28.738 0.059 0.000 1.273 99 Q HN 0.830 nan 8.270 nan 0.000 0.554 100 T N 0.591 114.862 114.554 -0.471 0.000 2.916 100 T HA 0.048 4.398 4.350 -0.000 0.000 0.303 100 T C 1.274 175.802 174.700 -0.286 0.000 1.025 100 T CA 0.040 61.738 62.100 -0.671 0.000 1.142 100 T CB 0.336 68.719 68.868 -0.808 0.000 0.947 100 T HN 0.507 nan 8.240 nan 0.000 0.544 101 R N 3.247 123.607 120.500 -0.233 0.000 2.154 101 R HA -0.174 4.165 4.340 -0.000 0.000 0.248 101 R C 2.484 178.720 176.300 -0.107 0.000 1.155 101 R CA 1.579 57.593 56.100 -0.144 0.000 0.979 101 R CB -0.536 29.689 30.300 -0.125 0.000 0.869 101 R HN 0.761 nan 8.270 nan 0.000 0.452 102 A N 0.105 122.858 122.820 -0.110 0.000 2.121 102 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 102 A C 1.705 179.259 177.584 -0.049 0.000 1.154 102 A CA 1.004 53.000 52.037 -0.068 0.000 0.679 102 A CB -0.008 18.958 19.000 -0.057 0.000 0.795 102 A HN 0.198 nan 8.150 nan 0.000 0.458 103 M N -1.269 118.297 119.600 -0.058 0.000 2.416 103 M HA 0.318 4.798 4.480 -0.000 0.000 0.337 103 M C 0.875 177.160 176.300 -0.025 0.000 1.074 103 M CA 0.122 55.406 55.300 -0.027 0.000 0.968 103 M CB 0.269 32.869 32.600 -0.001 0.000 1.472 103 M HN 0.300 nan 8.290 nan 0.000 0.539 104 I N 0.196 120.740 120.570 -0.043 0.000 2.439 104 I HA -0.099 4.071 4.170 -0.000 0.000 0.251 104 I C 2.456 178.555 176.117 -0.030 0.000 1.139 104 I CA 1.247 62.524 61.300 -0.039 0.000 1.438 104 I CB -0.458 37.508 38.000 -0.057 0.000 1.085 104 I HN 0.376 nan 8.210 nan 0.000 0.427 105 G N 1.281 110.063 108.800 -0.030 0.000 2.446 105 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 105 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 105 G C 1.621 176.511 174.900 -0.016 0.000 1.168 105 G CA 1.375 46.461 45.100 -0.023 0.000 0.771 105 G HN 0.382 nan 8.290 nan 0.000 0.551 106 V N -2.228 117.679 119.914 -0.011 0.000 3.380 106 V HA 0.241 4.361 4.120 -0.000 0.000 0.268 106 V C 0.694 176.786 176.094 -0.002 0.000 1.168 106 V CA 0.951 63.248 62.300 -0.005 0.000 1.156 106 V CB -0.854 30.970 31.823 0.000 0.000 0.785 106 V HN 0.519 nan 8.190 nan 0.000 0.487 107 E N -0.012 120.185 120.200 -0.004 0.000 2.260 107 E HA -0.172 4.178 4.350 -0.000 0.000 0.204 107 E C 0.537 177.142 176.600 0.009 0.000 1.319 107 E CA 0.189 56.588 56.400 -0.001 0.000 0.679 107 E CB -1.359 28.338 29.700 -0.004 0.000 1.158 107 E HN 0.998 nan 8.360 nan 0.000 0.376 108 A N 0.997 123.827 122.820 0.017 0.000 2.406 108 A HA 0.374 4.694 4.320 -0.000 0.000 0.243 108 A C 0.428 178.035 177.584 0.038 0.000 1.082 108 A CA -0.328 51.727 52.037 0.030 0.000 0.786 108 A CB 0.441 19.467 19.000 0.043 0.000 1.029 108 A HN 0.379 nan 8.150 nan 0.000 0.495 109 L N 0.915 122.164 121.223 0.044 0.000 2.573 109 L HA 0.045 4.385 4.340 -0.000 0.000 0.290 109 L C 0.826 177.735 176.870 0.065 0.000 1.247 109 L CA 1.449 56.318 54.840 0.049 0.000 0.876 109 L CB -0.346 41.745 42.059 0.054 0.000 1.123 109 L HN 0.743 nan 8.230 nan 0.000 0.505 110 L N 1.546 122.799 121.223 0.051 0.000 4.885 110 L HA -0.212 4.128 4.340 -0.000 0.000 0.404 110 L C 0.266 177.142 176.870 0.010 0.000 0.970 110 L CA 0.445 55.305 54.840 0.034 0.000 1.426 110 L CB -2.464 39.657 42.059 0.103 0.000 1.934 110 L HN 0.762 nan 8.230 nan 0.000 0.613 111 T N 0.992 115.555 114.554 0.015 0.000 2.814 111 T HA 0.169 4.519 4.350 -0.000 0.000 0.297 111 T C 0.600 175.291 174.700 -0.014 0.000 0.956 111 T CA -0.041 62.060 62.100 0.003 0.000 1.123 111 T CB 1.100 69.969 68.868 0.000 0.000 0.902 111 T HN 0.135 nan 8.240 nan 0.000 0.528 112 N N 3.958 122.646 118.700 -0.020 0.000 2.482 112 N HA 0.118 4.858 4.740 -0.000 0.000 0.242 112 N C -0.485 175.012 175.510 -0.021 0.000 1.100 112 N CA -0.257 52.782 53.050 -0.018 0.000 0.946 112 N CB 0.222 38.709 38.487 -0.001 0.000 1.227 112 N HN 0.282 nan 8.380 nan 0.000 0.508 113 V N 3.350 123.250 119.914 -0.023 0.000 2.572 113 V HA 0.000 4.120 4.120 -0.000 0.000 0.291 113 V C 0.920 176.993 176.094 -0.034 0.000 1.039 113 V CA -0.142 62.142 62.300 -0.028 0.000 1.055 113 V CB 0.629 32.437 31.823 -0.025 0.000 0.969 113 V HN 0.739 nan 8.190 nan 0.000 0.482 114 D N 3.336 123.712 120.400 -0.041 0.000 2.737 114 D HA -0.271 4.369 4.640 -0.000 0.000 0.233 114 D C 1.369 177.642 176.300 -0.046 0.000 1.155 114 D CA 1.016 54.988 54.000 -0.047 0.000 0.667 114 D CB -0.594 40.179 40.800 -0.045 0.000 1.060 114 D HN 0.841 nan 8.370 nan 0.000 0.427 115 A N 0.579 123.380 122.820 -0.031 0.000 1.893 115 A HA -0.182 4.138 4.320 -0.000 0.000 0.222 115 A C 2.576 180.180 177.584 0.034 0.000 1.309 115 A CA 3.597 55.646 52.037 0.019 0.000 0.681 115 A CB -1.318 17.703 19.000 0.037 0.000 0.842 115 A HN 1.056 nan 8.150 nan 0.000 0.468 116 A N -0.869 121.950 122.820 -0.002 0.000 2.032 116 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 116 A C 1.834 179.370 177.584 -0.080 0.000 1.165 116 A CA 1.962 53.989 52.037 -0.018 0.000 0.645 116 A CB -0.655 18.292 19.000 -0.089 0.000 0.807 116 A HN 0.620 nan 8.150 nan 0.000 0.453 117 N N -0.650 117.999 118.700 -0.086 0.000 2.457 117 N HA -0.041 4.699 4.740 -0.000 0.000 0.180 117 N C 1.456 176.882 175.510 -0.141 0.000 1.050 117 N CA 0.773 53.762 53.050 -0.102 0.000 0.906 117 N CB -0.288 38.153 38.487 -0.077 0.000 0.968 117 N HN 0.440 nan 8.380 nan 0.000 0.445 118 L N 2.741 123.862 121.223 -0.169 0.000 1.970 118 L HA -0.048 4.292 4.340 -0.000 0.000 0.212 118 L C -0.884 175.818 176.870 -0.280 0.000 1.071 118 L CA 2.089 56.804 54.840 -0.208 0.000 0.751 118 L CB -1.457 40.477 42.059 -0.210 0.000 0.889 118 L HN 0.098 nan 8.230 nan 0.000 0.432 119 P HA -0.099 nan 4.420 nan 0.000 0.233 119 P C 0.033 177.182 177.300 -0.253 0.000 1.167 119 P CA 0.483 63.348 63.100 -0.391 0.000 0.770 119 P CB -0.097 31.232 31.700 -0.619 0.000 0.837 120 R N 1.943 122.313 120.500 -0.217 0.000 2.679 120 R HA 0.124 4.464 4.340 -0.000 0.000 0.268 120 R C -1.375 174.806 176.300 -0.198 0.000 1.044 120 R CA -0.855 55.133 56.100 -0.186 0.000 1.105 120 R CB -0.132 30.084 30.300 -0.139 0.000 0.989 120 R HN 0.134 nan 8.270 nan 0.000 0.447 121 P HA 0.105 nan 4.420 nan 0.000 0.248 121 P C -0.049 176.909 177.300 -0.571 0.000 1.708 121 P CA 0.267 63.165 63.100 -0.336 0.000 1.062 121 P CB 0.277 31.788 31.700 -0.315 0.000 1.562 122 L N 0.058 121.033 121.223 -0.414 0.000 2.653 122 L HA 0.186 4.526 4.340 -0.000 0.000 0.231 122 L C 0.762 177.598 176.870 -0.057 0.000 1.153 122 L CA -0.252 54.340 54.840 -0.412 0.000 0.933 122 L CB 0.240 42.173 42.059 -0.209 0.000 1.175 122 L HN -0.076 nan 8.230 nan 0.000 0.473 123 V N -5.305 114.608 119.914 -0.003 0.000 3.007 123 V HA 0.375 4.495 4.120 -0.000 0.000 0.311 123 V C 0.627 176.999 176.094 0.464 0.000 1.120 123 V CA -1.042 61.441 62.300 0.306 0.000 0.980 123 V CB 2.172 34.100 31.823 0.175 0.000 1.033 123 V HN 0.030 nan 8.190 nan 0.000 0.429 124 K N 0.906 121.628 120.400 0.536 0.000 2.155 124 K HA 0.079 4.399 4.320 -0.000 0.000 0.203 124 K C -0.226 176.636 176.600 0.436 0.000 1.052 124 K CA 1.677 58.243 56.287 0.465 0.000 0.948 124 K CB 0.165 32.839 32.500 0.291 0.000 0.728 124 K HN 0.746 nan 8.250 nan 0.000 0.448 125 W N -0.070 121.332 121.300 0.170 0.000 3.425 125 W HA 0.314 4.974 4.660 -0.000 0.000 0.318 125 W C -1.634 174.985 176.519 0.166 0.000 1.201 125 W CA -0.671 56.752 57.345 0.131 0.000 1.212 125 W CB 1.916 31.427 29.460 0.085 0.000 1.355 125 W HN -0.358 nan 8.180 nan 0.000 0.515 126 S N 5.180 120.632 115.700 -0.415 0.000 2.571 126 S HA 0.760 5.230 4.470 -0.000 0.000 0.284 126 S C -2.072 172.177 174.600 -0.585 0.000 1.128 126 S CA -0.309 57.703 58.200 -0.313 0.000 0.970 126 S CB 0.748 63.901 63.200 -0.079 0.000 1.039 126 S HN 0.514 nan 8.310 nan 0.000 0.485 127 Y N 2.212 122.067 120.300 -0.741 0.000 2.624 127 Y HA 0.576 5.126 4.550 -0.000 0.000 0.334 127 Y C -1.540 174.139 175.900 -0.368 0.000 1.155 127 Y CA -0.700 56.999 58.100 -0.667 0.000 1.046 127 Y CB 1.562 39.309 38.460 -1.189 0.000 1.316 127 Y HN 0.691 nan 8.280 nan 0.000 0.457 128 E N 5.166 124.784 120.200 -0.969 0.000 2.281 128 E HA 0.488 4.838 4.350 -0.000 0.000 0.266 128 E C -2.962 173.094 176.600 -0.906 0.000 0.893 128 E CA -2.387 53.617 56.400 -0.661 0.000 0.798 128 E CB 1.960 31.419 29.700 -0.401 0.000 1.245 128 E HN 0.308 nan 8.360 nan 0.000 0.410 129 P HA 0.036 nan 4.420 nan 0.000 0.267 129 P C -0.266 176.925 177.300 -0.181 0.000 1.200 129 P CA 0.168 63.164 63.100 -0.174 0.000 0.772 129 P CB 1.005 32.698 31.700 -0.012 0.000 0.855 130 A N 1.548 124.327 122.820 -0.069 0.000 2.208 130 A HA 0.257 4.577 4.320 -0.000 0.000 0.209 130 A C 0.589 178.147 177.584 -0.043 0.000 1.161 130 A CA 0.996 52.998 52.037 -0.059 0.000 0.782 130 A CB -0.507 18.491 19.000 -0.003 0.000 0.816 130 A HN 0.607 nan 8.150 nan 0.000 0.477 131 S N -3.916 111.763 115.700 -0.035 0.000 2.567 131 S HA 0.596 5.066 4.470 -0.000 0.000 0.270 131 S C 0.610 175.179 174.600 -0.053 0.000 1.152 131 S CA -0.009 58.169 58.200 -0.037 0.000 0.835 131 S CB 0.967 64.163 63.200 -0.007 0.000 1.115 131 S HN 0.969 nan 8.310 nan 0.000 0.459 132 A N 1.608 124.387 122.820 -0.068 0.000 1.902 132 A HA 0.268 4.587 4.320 -0.000 0.000 0.217 132 A C 2.296 179.852 177.584 -0.047 0.000 1.181 132 A CA 2.030 54.010 52.037 -0.096 0.000 0.623 132 A CB -1.581 17.371 19.000 -0.080 0.000 0.818 132 A HN 1.788 nan 8.150 nan 0.000 0.443 133 A N -0.766 122.052 122.820 -0.003 0.000 2.125 133 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 133 A C 1.923 179.538 177.584 0.051 0.000 1.156 133 A CA 1.623 53.677 52.037 0.029 0.000 0.671 133 A CB -0.417 18.602 19.000 0.032 0.000 0.794 133 A HN 0.670 nan 8.150 nan 0.000 0.459 134 E N -0.176 120.058 120.200 0.056 0.000 2.371 134 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 134 E C 1.625 178.302 176.600 0.127 0.000 1.012 134 E CA 0.581 57.055 56.400 0.123 0.000 0.860 134 E CB -0.023 29.766 29.700 0.148 0.000 0.811 134 E HN 0.370 nan 8.360 nan 0.000 0.502 135 V N 1.806 121.740 119.914 0.034 0.000 2.250 135 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 135 V C -0.696 175.456 176.094 0.096 0.000 1.060 135 V CA 2.353 64.650 62.300 -0.007 0.000 1.030 135 V CB -1.531 30.162 31.823 -0.217 0.000 0.643 135 V HN 0.287 nan 8.190 nan 0.000 0.445 136 P HA -0.202 nan 4.420 nan 0.000 0.216 136 P C 1.716 179.139 177.300 0.206 0.000 1.153 136 P CA 1.850 65.059 63.100 0.182 0.000 0.858 136 P CB -0.204 31.598 31.700 0.170 0.000 0.789 137 H N -0.560 118.555 119.070 0.075 0.000 2.321 137 H HA -0.102 4.454 4.556 -0.000 0.000 0.300 137 H C 1.809 177.187 175.328 0.083 0.000 1.087 137 H CA 1.256 57.339 56.048 0.057 0.000 1.319 137 H CB -0.171 29.614 29.762 0.038 0.000 1.379 137 H HN -0.015 nan 8.280 nan 0.000 0.501 138 A N 0.941 123.812 122.820 0.085 0.000 1.940 138 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 138 A C 2.385 180.082 177.584 0.189 0.000 1.176 138 A CA 1.782 53.898 52.037 0.132 0.000 0.631 138 A CB -0.660 18.529 19.000 0.315 0.000 0.814 138 A HN 0.518 nan 8.150 nan 0.000 0.446 139 M N -0.215 119.492 119.600 0.178 0.000 2.117 139 M HA -0.075 4.405 4.480 -0.000 0.000 0.262 139 M C 2.279 178.654 176.300 0.125 0.000 1.065 139 M CA 2.054 57.468 55.300 0.191 0.000 1.114 139 M CB -0.588 32.138 32.600 0.210 0.000 1.361 139 M HN 0.391 nan 8.290 nan 0.000 0.408 140 S N -0.161 115.604 115.700 0.108 0.000 2.359 140 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 140 S C 2.042 176.646 174.600 0.007 0.000 1.035 140 S CA 1.636 59.887 58.200 0.085 0.000 1.018 140 S CB -0.185 63.134 63.200 0.198 0.000 0.876 140 S HN 0.620 nan 8.310 nan 0.000 0.448 141 R N 0.781 121.210 120.500 -0.118 0.000 2.081 141 R HA -0.017 4.323 4.340 -0.000 0.000 0.235 141 R C 2.693 178.753 176.300 -0.399 0.000 1.131 141 R CA 1.352 57.208 56.100 -0.407 0.000 0.960 141 R CB -0.682 29.092 30.300 -0.876 0.000 0.856 141 R HN 0.499 nan 8.270 nan 0.000 0.436 142 A N 1.479 124.238 122.820 -0.102 0.000 1.883 142 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 142 A C 2.200 179.813 177.584 0.048 0.000 1.186 142 A CA 1.402 53.537 52.037 0.164 0.000 0.624 142 A CB -0.602 18.595 19.000 0.329 0.000 0.822 142 A HN 0.196 nan 8.150 nan 0.000 0.444 143 I N -1.063 119.489 120.570 -0.030 0.000 2.163 143 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 143 I C 2.481 178.472 176.117 -0.210 0.000 1.085 143 I CA 1.554 62.778 61.300 -0.128 0.000 1.347 143 I CB -0.601 37.238 38.000 -0.269 0.000 1.044 143 I HN 0.424 nan 8.210 nan 0.000 0.408 144 H N -0.290 118.755 119.070 -0.042 0.000 2.403 144 H HA 0.002 4.558 4.556 -0.000 0.000 0.298 144 H C 2.321 177.594 175.328 -0.092 0.000 1.059 144 H CA 1.032 57.034 56.048 -0.076 0.000 1.363 144 H CB -0.110 29.589 29.762 -0.105 0.000 1.410 144 H HN 0.248 nan 8.280 nan 0.000 0.528 145 M N 0.393 119.971 119.600 -0.037 0.000 2.213 145 M HA -0.041 4.439 4.480 -0.000 0.000 0.263 145 M C 2.400 178.717 176.300 0.028 0.000 1.062 145 M CA 0.880 56.147 55.300 -0.055 0.000 1.105 145 M CB -0.840 31.677 32.600 -0.138 0.000 1.385 145 M HN 0.214 nan 8.290 nan 0.000 0.417 146 A N -1.131 121.719 122.820 0.050 0.000 1.970 146 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 146 A C 2.389 179.994 177.584 0.036 0.000 1.170 146 A CA 1.536 53.612 52.037 0.066 0.000 0.645 146 A CB -0.412 18.642 19.000 0.089 0.000 0.816 146 A HN 0.458 nan 8.150 nan 0.000 0.447 147 S N -0.374 115.340 115.700 0.024 0.000 2.425 147 S HA 0.177 4.647 4.470 -0.000 0.000 0.225 147 S C 0.895 175.497 174.600 0.004 0.000 1.024 147 S CA 0.166 58.377 58.200 0.017 0.000 0.951 147 S CB -0.240 62.971 63.200 0.019 0.000 0.796 147 S HN 0.538 nan 8.310 nan 0.000 0.498 148 M N 1.808 121.410 119.600 0.003 0.000 2.248 148 M HA 0.267 4.747 4.480 -0.000 0.000 0.337 148 M C 0.297 176.565 176.300 -0.053 0.000 1.121 148 M CA -0.375 54.912 55.300 -0.021 0.000 1.155 148 M CB 0.284 32.869 32.600 -0.025 0.000 1.514 148 M HN 0.146 nan 8.290 nan 0.000 0.452 149 A N 4.805 127.584 122.820 -0.069 0.000 2.477 149 A HA 0.423 4.743 4.320 -0.000 0.000 0.246 149 A C -2.224 175.284 177.584 -0.126 0.000 1.078 149 A CA -1.103 50.862 52.037 -0.119 0.000 0.770 149 A CB -0.677 18.259 19.000 -0.106 0.000 1.011 149 A HN 0.526 nan 8.150 nan 0.000 0.494 150 P HA 0.183 nan 4.420 nan 0.000 0.287 150 P C -0.673 176.477 177.300 -0.249 0.000 1.281 150 P CA -0.283 62.608 63.100 -0.350 0.000 0.781 150 P CB 0.829 32.226 31.700 -0.505 0.000 0.903 151 Q N 1.163 120.843 119.800 -0.201 0.000 2.432 151 Q HA 0.490 4.830 4.340 -0.000 0.000 0.264 151 Q C 0.686 176.669 176.000 -0.029 0.000 1.035 151 Q CA 0.428 56.189 55.803 -0.070 0.000 0.908 151 Q CB 0.402 29.128 28.738 -0.020 0.000 1.280 151 Q HN 0.737 nan 8.270 nan 0.000 0.455 152 G N 1.191 109.996 108.800 0.008 0.000 2.451 152 G HA2 0.335 4.295 3.960 -0.000 0.000 0.292 152 G HA3 0.335 4.295 3.960 -0.000 0.000 0.292 152 G C -3.080 171.882 174.900 0.104 0.000 1.427 152 G CA -0.894 44.218 45.100 0.020 0.000 0.792 152 G HN 0.384 nan 8.290 nan 0.000 0.498 153 P HA 0.459 nan 4.420 nan 0.000 0.275 153 P C -0.087 177.358 177.300 0.241 0.000 1.227 153 P CA -0.151 63.062 63.100 0.188 0.000 0.781 153 P CB 1.675 33.490 31.700 0.191 0.000 0.906 154 V N 0.789 120.842 119.914 0.232 0.000 3.001 154 V HA 0.627 4.747 4.120 -0.000 0.000 0.314 154 V C -1.458 174.808 176.094 0.286 0.000 1.099 154 V CA -1.104 61.377 62.300 0.301 0.000 0.989 154 V CB 2.157 34.201 31.823 0.369 0.000 1.040 154 V HN 0.491 nan 8.190 nan 0.000 0.434 155 Y N 2.845 123.191 120.300 0.078 0.000 2.391 155 Y HA 0.829 5.379 4.550 -0.000 0.000 0.341 155 Y C -1.212 174.642 175.900 -0.077 0.000 0.965 155 Y CA -1.201 56.889 58.100 -0.018 0.000 1.067 155 Y CB 2.029 40.455 38.460 -0.057 0.000 1.199 155 Y HN 0.901 nan 8.280 nan 0.000 0.450 156 L N 5.302 126.232 121.223 -0.490 0.000 2.406 156 L HA 0.612 4.952 4.340 -0.000 0.000 0.272 156 L C -1.176 175.348 176.870 -0.577 0.000 0.980 156 L CA -0.194 54.418 54.840 -0.380 0.000 0.831 156 L CB 1.967 43.978 42.059 -0.080 0.000 1.253 156 L HN 0.558 nan 8.230 nan 0.000 0.406 157 S N 4.150 119.566 115.700 -0.473 0.000 2.442 157 S HA 0.838 5.308 4.470 -0.000 0.000 0.297 157 S C -1.055 173.415 174.600 -0.217 0.000 1.131 157 S CA -0.447 57.539 58.200 -0.357 0.000 1.092 157 S CB 0.898 63.949 63.200 -0.249 0.000 0.998 157 S HN 0.472 nan 8.310 nan 0.000 0.478 158 V N 7.469 127.300 119.914 -0.138 0.000 2.443 158 V HA 0.426 4.546 4.120 -0.000 0.000 0.293 158 V C -2.479 173.567 176.094 -0.079 0.000 1.021 158 V CA -2.079 60.129 62.300 -0.153 0.000 0.848 158 V CB 1.582 33.284 31.823 -0.202 0.000 0.998 158 V HN 0.712 nan 8.190 nan 0.000 0.424 159 P HA 0.013 nan 4.420 nan 0.000 0.264 159 P C 0.302 177.576 177.300 -0.042 0.000 1.193 159 P CA 0.056 63.093 63.100 -0.106 0.000 0.763 159 P CB 0.185 31.779 31.700 -0.177 0.000 0.810 160 Y N 2.753 123.110 120.300 0.096 0.000 2.483 160 Y HA -0.141 4.409 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 1.146 59.398 58.100 0.253 0.000 1.289 160 Y CB -1.132 37.492 38.460 0.273 0.000 0.983 160 Y HN 0.288 nan 8.280 nan 0.000 0.556 161 D N -0.837 119.500 120.400 -0.105 0.000 2.340 161 D HA -0.093 4.547 4.640 -0.000 0.000 0.220 161 D C 0.538 176.833 176.300 -0.008 0.000 1.039 161 D CA 0.460 54.448 54.000 -0.020 0.000 0.866 161 D CB -0.218 40.470 40.800 -0.187 0.000 0.913 161 D HN 0.355 nan 8.370 nan 0.000 0.523 162 D N 0.608 120.934 120.400 -0.124 0.000 2.162 162 D HA -0.059 4.581 4.640 -0.000 0.000 0.203 162 D C 1.661 177.893 176.300 -0.112 0.000 0.967 162 D CA 0.587 54.456 54.000 -0.217 0.000 0.840 162 D CB -0.541 39.990 40.800 -0.448 0.000 0.972 162 D HN 0.368 nan 8.370 nan 0.000 0.482 163 W N 1.641 123.055 121.300 0.190 0.000 2.321 163 W HA -0.159 4.501 4.660 -0.000 0.000 0.306 163 W C 1.739 178.392 176.519 0.223 0.000 1.217 163 W CA 0.690 58.191 57.345 0.260 0.000 1.257 163 W CB -0.234 29.446 29.460 0.367 0.000 1.145 163 W HN -0.070 nan 8.180 nan 0.000 0.509 164 D N -0.213 120.405 120.400 0.363 0.000 2.347 164 D HA -0.042 4.598 4.640 -0.000 0.000 0.215 164 D C 0.969 177.366 176.300 0.162 0.000 0.976 164 D CA 0.820 54.959 54.000 0.232 0.000 0.884 164 D CB -0.250 40.657 40.800 0.177 0.000 0.915 164 D HN -0.039 nan 8.370 nan 0.000 0.526 165 K N 1.606 122.086 120.400 0.134 0.000 2.276 165 K HA 0.067 4.387 4.320 -0.000 0.000 0.259 165 K C 0.151 176.813 176.600 0.102 0.000 1.001 165 K CA -0.236 56.103 56.287 0.087 0.000 0.927 165 K CB 0.485 33.010 32.500 0.043 0.000 0.969 165 K HN -0.024 nan 8.250 nan 0.000 0.490 166 D N 0.505 120.953 120.400 0.080 0.000 2.414 166 D HA 0.152 4.792 4.640 -0.000 0.000 0.242 166 D C -0.072 176.281 176.300 0.087 0.000 1.129 166 D CA 0.164 54.216 54.000 0.086 0.000 0.885 166 D CB 0.839 41.679 40.800 0.067 0.000 1.198 166 D HN 0.449 nan 8.370 nan 0.000 0.437 167 A N 1.688 124.572 122.820 0.107 0.000 2.293 167 A HA 0.220 4.540 4.320 -0.000 0.000 0.302 167 A C 0.086 177.719 177.584 0.081 0.000 1.119 167 A CA -0.650 51.450 52.037 0.105 0.000 0.823 167 A CB 0.709 19.798 19.000 0.147 0.000 1.097 167 A HN 0.457 nan 8.150 nan 0.000 0.491 168 D N 1.615 122.052 120.400 0.061 0.000 2.417 168 D HA 0.203 4.843 4.640 -0.000 0.000 0.250 168 D C -1.610 174.718 176.300 0.048 0.000 1.166 168 D CA -1.572 52.454 54.000 0.043 0.000 0.881 168 D CB 1.053 41.866 40.800 0.021 0.000 1.164 168 D HN 0.107 nan 8.370 nan 0.000 0.467 169 P HA -0.149 nan 4.420 nan 0.000 0.217 169 P C 1.012 178.380 177.300 0.113 0.000 1.148 169 P CA 0.976 64.131 63.100 0.091 0.000 0.828 169 P CB 0.233 31.983 31.700 0.084 0.000 0.783 170 Q N -0.872 118.958 119.800 0.051 0.000 2.541 170 Q HA -0.010 4.329 4.340 -0.000 0.000 0.215 170 Q C 1.882 177.774 176.000 -0.181 0.000 0.977 170 Q CA 0.855 56.653 55.803 -0.009 0.000 0.934 170 Q CB -0.823 27.929 28.738 0.024 0.000 0.988 170 Q HN 0.283 nan 8.270 nan 0.000 0.521 171 S N 0.417 116.023 115.700 -0.157 0.000 2.447 171 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 171 S C 1.582 175.811 174.600 -0.619 0.000 1.006 171 S CA 0.851 58.897 58.200 -0.257 0.000 0.957 171 S CB -0.342 62.790 63.200 -0.114 0.000 0.773 171 S HN 0.630 nan 8.310 nan 0.000 0.507 172 H N 0.593 119.270 119.070 -0.656 0.000 2.457 172 H HA -0.083 4.473 4.556 -0.000 0.000 0.297 172 H C 1.294 176.172 175.328 -0.751 0.000 1.092 172 H CA 1.420 56.806 56.048 -1.102 0.000 1.309 172 H CB -0.721 28.780 29.762 -0.434 0.000 1.382 172 H HN 0.487 nan 8.280 nan 0.000 0.535 173 H N 0.801 119.335 119.070 -0.893 0.000 2.543 173 H HA 0.012 4.568 4.556 -0.000 0.000 0.286 173 H C 2.326 177.496 175.328 -0.263 0.000 1.037 173 H CA 0.918 56.669 56.048 -0.494 0.000 1.250 173 H CB 0.318 29.808 29.762 -0.454 0.000 1.373 173 H HN 0.424 nan 8.280 nan 0.000 0.580 174 L N -0.862 120.224 121.223 -0.228 0.000 2.202 174 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 174 L C 2.117 179.068 176.870 0.134 0.000 1.083 174 L CA 0.116 54.936 54.840 -0.033 0.000 0.790 174 L CB -0.419 41.629 42.059 -0.018 0.000 0.942 174 L HN 0.013 nan 8.230 nan 0.000 0.452 175 F N 1.037 121.051 119.950 0.107 0.000 2.048 175 F HA -0.324 4.203 4.527 -0.000 0.000 0.296 175 F C 1.766 177.634 175.800 0.112 0.000 1.109 175 F CA 1.300 59.365 58.000 0.108 0.000 1.214 175 F CB -0.888 38.175 39.000 0.105 0.000 0.963 175 F HN 0.192 nan 8.300 nan 0.000 0.491 176 D N -0.198 120.391 120.400 0.315 0.000 2.525 176 D HA 0.071 4.711 4.640 -0.000 0.000 0.229 176 D C 0.282 176.700 176.300 0.196 0.000 1.202 176 D CA -0.079 54.057 54.000 0.228 0.000 0.828 176 D CB -0.046 40.872 40.800 0.196 0.000 1.008 176 D HN 0.160 nan 8.370 nan 0.000 0.493 177 R N 1.112 121.726 120.500 0.191 0.000 2.522 177 R HA 0.057 4.397 4.340 -0.000 0.000 0.284 177 R C 0.240 176.624 176.300 0.140 0.000 1.032 177 R CA 0.276 56.453 56.100 0.127 0.000 1.049 177 R CB 0.578 30.922 30.300 0.072 0.000 0.956 177 R HN 0.149 nan 8.270 nan 0.000 0.422 178 H N 3.331 122.410 119.070 0.015 0.000 2.638 178 H HA 0.257 4.813 4.556 -0.000 0.000 0.317 178 H C -1.291 174.003 175.328 -0.057 0.000 1.006 178 H CA -0.588 55.474 56.048 0.022 0.000 1.222 178 H CB 0.993 30.776 29.762 0.034 0.000 1.419 178 H HN 0.215 nan 8.280 nan 0.000 0.489 179 V N 4.368 124.198 119.914 -0.140 0.000 2.398 179 V HA 0.275 4.395 4.120 -0.000 0.000 0.286 179 V C 0.375 176.473 176.094 0.007 0.000 1.026 179 V CA -0.553 61.689 62.300 -0.098 0.000 0.868 179 V CB 1.455 33.109 31.823 -0.282 0.000 0.982 179 V HN 0.756 nan 8.190 nan 0.000 0.443 180 S N 2.698 118.448 115.700 0.083 0.000 2.513 180 S HA 0.615 5.085 4.470 -0.000 0.000 0.299 180 S C 0.397 175.014 174.600 0.030 0.000 1.087 180 S CA 0.095 58.352 58.200 0.094 0.000 1.012 180 S CB 1.857 65.143 63.200 0.143 0.000 1.044 180 S HN 0.990 nan 8.310 nan 0.000 0.485 181 S N 1.842 117.554 115.700 0.020 0.000 2.937 181 S HA 0.204 4.674 4.470 -0.000 0.000 0.252 181 S C 0.213 174.812 174.600 -0.002 0.000 1.022 181 S CA -0.330 57.867 58.200 -0.004 0.000 1.079 181 S CB 0.191 63.379 63.200 -0.021 0.000 1.035 181 S HN 0.542 nan 8.310 nan 0.000 0.594 182 S N 2.791 118.500 115.700 0.015 0.000 4.120 182 S HA 0.426 4.896 4.470 -0.000 0.000 0.215 182 S C 0.290 174.892 174.600 0.004 0.000 1.347 182 S CA -0.217 57.990 58.200 0.013 0.000 0.889 182 S CB -1.261 61.955 63.200 0.028 0.000 1.585 182 S HN 0.716 nan 8.310 nan 0.000 0.447 183 V N 2.613 122.524 119.914 -0.005 0.000 3.019 183 V HA 0.997 5.117 4.120 -0.000 0.000 0.317 183 V C -0.690 175.398 176.094 -0.010 0.000 1.094 183 V CA -1.384 60.911 62.300 -0.008 0.000 1.000 183 V CB 1.899 33.715 31.823 -0.012 0.000 1.060 183 V HN 0.726 nan 8.190 nan 0.000 0.443 184 R N 1.657 122.152 120.500 -0.009 0.000 2.739 184 R HA 0.733 5.073 4.340 -0.000 0.000 0.271 184 R C -1.036 175.258 176.300 -0.009 0.000 1.010 184 R CA -0.963 55.132 56.100 -0.008 0.000 0.897 184 R CB 0.610 30.907 30.300 -0.005 0.000 1.236 184 R HN 0.864 nan 8.270 nan 0.000 0.466 185 L N 2.054 123.272 121.223 -0.009 0.000 2.573 185 L HA 0.098 4.438 4.340 -0.000 0.000 0.290 185 L C -0.364 176.502 176.870 -0.007 0.000 1.247 185 L CA 0.640 55.474 54.840 -0.009 0.000 0.876 185 L CB -0.161 41.893 42.059 -0.008 0.000 1.123 185 L HN 0.935 nan 8.230 nan 0.000 0.505 186 N N 1.988 120.683 118.700 -0.007 0.000 2.344 186 N HA -0.034 4.706 4.740 -0.000 0.000 0.236 186 N C 0.447 175.954 175.510 -0.005 0.000 1.279 186 N CA 0.114 53.160 53.050 -0.006 0.000 0.882 186 N CB 0.236 38.719 38.487 -0.007 0.000 1.110 186 N HN 0.604 nan 8.380 nan 0.000 0.436 187 D N -0.127 120.271 120.400 -0.004 0.000 2.103 187 D HA -0.281 4.359 4.640 -0.000 0.000 0.190 187 D C 1.572 177.871 176.300 -0.002 0.000 0.997 187 D CA 1.615 55.613 54.000 -0.003 0.000 0.833 187 D CB -0.498 40.301 40.800 -0.002 0.000 0.961 187 D HN 0.828 nan 8.370 nan 0.000 0.447 188 Q N 0.340 120.138 119.800 -0.003 0.000 2.045 188 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 188 Q C 1.322 177.320 176.000 -0.002 0.000 0.991 188 Q CA 1.876 57.678 55.803 -0.002 0.000 0.851 188 Q CB 0.037 28.773 28.738 -0.003 0.000 0.911 188 Q HN 0.152 nan 8.270 nan 0.000 0.418 189 D N 0.248 120.646 120.400 -0.003 0.000 2.178 189 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 189 D C 1.847 178.145 176.300 -0.003 0.000 0.974 189 D CA 0.501 54.499 54.000 -0.004 0.000 0.841 189 D CB -0.148 40.649 40.800 -0.006 0.000 0.953 189 D HN 0.230 nan 8.370 nan 0.000 0.478 190 L N 1.135 122.357 121.223 -0.003 0.000 2.056 190 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 190 L C 1.382 178.252 176.870 0.001 0.000 1.078 190 L CA 1.782 56.621 54.840 -0.001 0.000 0.749 190 L CB -0.446 41.612 42.059 -0.001 0.000 0.901 190 L HN -0.154 nan 8.230 nan 0.000 0.433 191 D N -0.298 120.102 120.400 0.001 0.000 2.117 191 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 191 D C 2.346 178.648 176.300 0.003 0.000 0.987 191 D CA 1.735 55.736 54.000 0.002 0.000 0.829 191 D CB -0.072 40.729 40.800 0.002 0.000 0.961 191 D HN 0.435 nan 8.370 nan 0.000 0.460 192 I N 0.583 121.154 120.570 0.001 0.000 2.208 192 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 192 I C 2.406 178.525 176.117 0.002 0.000 1.097 192 I CA 0.548 61.849 61.300 0.001 0.000 1.363 192 I CB -0.164 37.836 38.000 -0.000 0.000 1.051 192 I HN 0.026 nan 8.210 nan 0.000 0.413 193 L N 0.644 121.868 121.223 0.001 0.000 2.027 193 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 193 L C 2.422 179.296 176.870 0.005 0.000 1.074 193 L CA 1.783 56.625 54.840 0.002 0.000 0.745 193 L CB -0.587 41.472 42.059 0.000 0.000 0.898 193 L HN -0.036 nan 8.230 nan 0.000 0.433 194 V N 0.003 119.921 119.914 0.006 0.000 2.332 194 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 194 V C 2.626 178.726 176.094 0.009 0.000 1.055 194 V CA 2.180 64.485 62.300 0.008 0.000 1.038 194 V CB -0.812 31.016 31.823 0.008 0.000 0.651 194 V HN 0.473 nan 8.190 nan 0.000 0.450 195 K N 0.160 120.564 120.400 0.008 0.000 2.097 195 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 195 K C 2.324 178.930 176.600 0.010 0.000 1.049 195 K CA 1.429 57.721 56.287 0.009 0.000 0.933 195 K CB -0.410 32.094 32.500 0.007 0.000 0.717 195 K HN 0.490 nan 8.250 nan 0.000 0.442 196 A N 1.465 124.291 122.820 0.010 0.000 1.902 196 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 196 A C 2.114 179.707 177.584 0.015 0.000 1.181 196 A CA 1.229 53.273 52.037 0.011 0.000 0.623 196 A CB -0.578 18.427 19.000 0.009 0.000 0.818 196 A HN 0.147 nan 8.150 nan 0.000 0.443 197 L N -0.438 120.794 121.223 0.015 0.000 2.056 197 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 197 L C 2.182 179.065 176.870 0.021 0.000 1.078 197 L CA 1.156 56.007 54.840 0.019 0.000 0.749 197 L CB -0.667 41.403 42.059 0.017 0.000 0.901 197 L HN 0.331 nan 8.230 nan 0.000 0.433 198 N N -0.352 118.358 118.700 0.018 0.000 2.223 198 N HA -0.125 4.615 4.740 -0.000 0.000 0.185 198 N C 1.921 177.442 175.510 0.018 0.000 1.016 198 N CA 1.303 54.364 53.050 0.018 0.000 0.863 198 N CB -0.126 38.370 38.487 0.015 0.000 0.983 198 N HN 0.185 nan 8.380 nan 0.000 0.429 199 S N 0.124 115.834 115.700 0.017 0.000 2.478 199 S HA 0.209 4.678 4.470 -0.000 0.000 0.222 199 S C 0.863 175.476 174.600 0.021 0.000 1.008 199 S CA -0.190 58.020 58.200 0.017 0.000 0.928 199 S CB 0.033 63.242 63.200 0.014 0.000 0.781 199 S HN 0.429 nan 8.310 nan 0.000 0.518 200 A N 2.230 125.065 122.820 0.026 0.000 2.566 200 A HA 0.230 4.550 4.320 -0.000 0.000 0.245 200 A C 1.409 179.014 177.584 0.035 0.000 1.056 200 A CA 0.297 52.354 52.037 0.034 0.000 0.757 200 A CB 0.087 19.113 19.000 0.043 0.000 0.979 200 A HN 0.441 nan 8.150 nan 0.000 0.508 201 S N 1.478 117.197 115.700 0.033 0.000 2.446 201 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 201 S C 0.720 175.342 174.600 0.037 0.000 1.016 201 S CA 0.900 59.116 58.200 0.027 0.000 0.943 201 S CB -0.117 63.092 63.200 0.015 0.000 0.786 201 S HN 0.832 nan 8.310 nan 0.000 0.508 202 N N 1.912 120.648 118.700 0.059 0.000 2.697 202 N HA 0.352 5.092 4.740 -0.000 0.000 0.253 202 N C -3.209 172.443 175.510 0.236 0.000 1.604 202 N CA -1.696 51.414 53.050 0.100 0.000 0.772 202 N CB 1.297 39.785 38.487 0.000 0.000 1.267 202 N HN 0.128 nan 8.380 nan 0.000 0.510 203 P HA 0.335 nan 4.420 nan 0.000 0.272 203 P C -1.017 176.341 177.300 0.097 0.000 1.230 203 P CA -0.289 62.891 63.100 0.133 0.000 0.788 203 P CB 1.441 33.181 31.700 0.067 0.000 0.949 204 A N 2.156 124.954 122.820 -0.037 0.000 2.486 204 A HA 0.724 5.044 4.320 -0.000 0.000 0.300 204 A C -0.843 176.698 177.584 -0.072 0.000 1.048 204 A CA -0.758 51.166 52.037 -0.188 0.000 0.696 204 A CB 1.098 19.770 19.000 -0.545 0.000 1.278 204 A HN 0.427 nan 8.150 nan 0.000 0.405 205 I N 1.620 122.156 120.570 -0.056 0.000 2.433 205 I HA 0.512 4.682 4.170 -0.000 0.000 0.292 205 I C -0.931 175.181 176.117 -0.008 0.000 1.001 205 I CA -1.011 60.261 61.300 -0.046 0.000 1.119 205 I CB 2.153 40.092 38.000 -0.102 0.000 1.289 205 I HN 0.316 nan 8.210 nan 0.000 0.438 206 V N 7.080 127.001 119.914 0.011 0.000 2.444 206 V HA 0.462 4.582 4.120 -0.000 0.000 0.294 206 V C -0.164 175.943 176.094 0.021 0.000 1.022 206 V CA -0.505 61.811 62.300 0.026 0.000 0.850 206 V CB 1.787 33.637 31.823 0.044 0.000 0.992 206 V HN 0.471 nan 8.190 nan 0.000 0.426 207 L N 4.061 125.286 121.223 0.004 0.000 2.325 207 L HA 0.872 5.212 4.340 -0.000 0.000 0.278 207 L C 0.774 177.675 176.870 0.051 0.000 1.023 207 L CA -0.288 54.572 54.840 0.032 0.000 0.811 207 L CB 1.855 43.938 42.059 0.039 0.000 1.249 207 L HN 0.742 nan 8.230 nan 0.000 0.431 208 G N 0.861 109.701 108.800 0.067 0.000 2.667 208 G HA2 0.501 4.461 3.960 -0.000 0.000 0.310 208 G HA3 0.501 4.461 3.960 -0.000 0.000 0.310 208 G C -1.999 172.961 174.900 0.099 0.000 1.259 208 G CA -1.006 44.139 45.100 0.075 0.000 1.019 208 G HN 0.420 nan 8.290 nan 0.000 0.496 209 P HA -0.125 nan 4.420 nan 0.000 0.216 209 P C 0.664 178.039 177.300 0.125 0.000 1.150 209 P CA 1.186 64.364 63.100 0.130 0.000 0.843 209 P CB 0.243 32.018 31.700 0.125 0.000 0.787 210 D N -0.367 120.108 120.400 0.124 0.000 2.309 210 D HA -0.076 4.564 4.640 -0.000 0.000 0.212 210 D C 2.032 178.379 176.300 0.078 0.000 0.968 210 D CA 0.646 54.711 54.000 0.110 0.000 0.882 210 D CB -0.283 40.577 40.800 0.099 0.000 0.918 210 D HN 0.093 nan 8.370 nan 0.000 0.503 211 V N 1.049 121.013 119.914 0.082 0.000 2.270 211 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 211 V C 2.202 178.341 176.094 0.076 0.000 1.043 211 V CA 1.849 64.194 62.300 0.076 0.000 1.014 211 V CB -0.357 31.521 31.823 0.092 0.000 0.645 211 V HN 0.069 nan 8.190 nan 0.000 0.447 212 D N 0.056 120.508 120.400 0.088 0.000 2.144 212 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 212 D C 2.086 178.434 176.300 0.079 0.000 0.984 212 D CA 1.364 55.410 54.000 0.076 0.000 0.834 212 D CB -0.116 40.728 40.800 0.072 0.000 0.955 212 D HN 0.365 nan 8.370 nan 0.000 0.465 213 A N 0.282 123.158 122.820 0.094 0.000 1.933 213 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 213 A C 2.228 179.848 177.584 0.061 0.000 1.175 213 A CA 1.873 53.966 52.037 0.093 0.000 0.628 213 A CB -0.763 18.298 19.000 0.101 0.000 0.814 213 A HN 0.301 nan 8.150 nan 0.000 0.444 214 A N -1.260 121.590 122.820 0.050 0.000 2.251 214 A HA 0.255 4.575 4.320 -0.000 0.000 0.209 214 A C 0.919 178.522 177.584 0.032 0.000 1.187 214 A CA 0.808 52.865 52.037 0.034 0.000 0.823 214 A CB -0.615 18.400 19.000 0.026 0.000 0.846 214 A HN 0.815 nan 8.150 nan 0.000 0.486 215 N N -2.156 116.567 118.700 0.038 0.000 2.740 215 N HA -0.227 4.513 4.740 -0.000 0.000 0.248 215 N C 0.412 175.937 175.510 0.024 0.000 1.062 215 N CA 1.021 54.088 53.050 0.029 0.000 0.704 215 N CB -1.353 37.147 38.487 0.021 0.000 0.968 215 N HN 0.550 nan 8.380 nan 0.000 0.547 216 A N -0.677 122.164 122.820 0.034 0.000 2.379 216 A HA 0.217 4.537 4.320 -0.000 0.000 0.236 216 A C 1.630 179.241 177.584 0.044 0.000 1.272 216 A CA 0.424 52.482 52.037 0.035 0.000 0.886 216 A CB -0.081 18.943 19.000 0.040 0.000 0.962 216 A HN 0.533 nan 8.150 nan 0.000 0.504 217 N N 1.879 120.601 118.700 0.035 0.000 2.018 217 N HA -0.212 4.528 4.740 -0.000 0.000 0.196 217 N C 1.898 177.395 175.510 -0.022 0.000 1.043 217 N CA 2.037 55.101 53.050 0.024 0.000 0.856 217 N CB -0.515 37.960 38.487 -0.020 0.000 1.042 217 N HN 0.451 nan 8.380 nan 0.000 0.423 218 A N 1.185 123.983 122.820 -0.038 0.000 1.873 218 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 218 A C 1.781 179.356 177.584 -0.014 0.000 1.193 218 A CA 2.030 54.037 52.037 -0.049 0.000 0.629 218 A CB -0.804 18.177 19.000 -0.032 0.000 0.826 218 A HN 0.200 nan 8.150 nan 0.000 0.447 219 D N -0.664 119.743 120.400 0.012 0.000 2.149 219 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 219 D C 1.995 178.329 176.300 0.057 0.000 0.990 219 D CA 1.359 55.377 54.000 0.029 0.000 0.839 219 D CB -0.533 40.283 40.800 0.028 0.000 0.948 219 D HN 0.462 nan 8.370 nan 0.000 0.460 220 C N 0.055 119.409 119.300 0.090 0.000 2.450 220 C HA -0.032 4.428 4.460 -0.000 0.000 0.279 220 C C 2.903 178.056 174.990 0.271 0.000 1.335 220 C CA -0.016 59.103 59.018 0.169 0.000 1.749 220 C CB -0.689 27.190 27.740 0.231 0.000 1.963 220 C HN 0.168 nan 8.230 nan 0.000 0.501 221 V N 1.048 121.051 119.914 0.150 0.000 2.295 221 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 221 V C 2.386 178.524 176.094 0.073 0.000 1.049 221 V CA 2.427 64.727 62.300 -0.000 0.000 1.024 221 V CB -0.684 30.967 31.823 -0.287 0.000 0.648 221 V HN 0.627 nan 8.190 nan 0.000 0.447 222 M N -0.187 119.446 119.600 0.055 0.000 2.065 222 M HA -0.212 4.268 4.480 -0.000 0.000 0.259 222 M C 2.075 178.417 176.300 0.070 0.000 1.071 222 M CA 2.217 57.553 55.300 0.059 0.000 1.109 222 M CB -0.481 32.143 32.600 0.039 0.000 1.313 222 M HN 0.281 nan 8.290 nan 0.000 0.408 223 L N 0.872 122.136 121.223 0.068 0.000 2.043 223 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 223 L C 2.441 179.346 176.870 0.058 0.000 1.075 223 L CA 2.438 57.311 54.840 0.056 0.000 0.752 223 L CB -1.195 40.894 42.059 0.050 0.000 0.891 223 L HN 0.453 nan 8.230 nan 0.000 0.432 224 A N -1.011 121.856 122.820 0.079 0.000 1.930 224 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 224 A C 2.134 179.770 177.584 0.087 0.000 1.175 224 A CA 1.723 53.793 52.037 0.055 0.000 0.627 224 A CB -0.570 18.459 19.000 0.048 0.000 0.815 224 A HN 0.646 nan 8.150 nan 0.000 0.443 225 E N -0.510 119.763 120.200 0.122 0.000 2.107 225 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 225 E C 2.269 178.921 176.600 0.086 0.000 0.982 225 E CA 0.719 57.201 56.400 0.137 0.000 0.809 225 E CB -0.148 29.649 29.700 0.161 0.000 0.756 225 E HN 0.420 nan 8.360 nan 0.000 0.459 226 R N 0.780 121.320 120.500 0.067 0.000 2.070 226 R HA -0.070 4.270 4.340 -0.000 0.000 0.233 226 R C 2.361 178.688 176.300 0.044 0.000 1.137 226 R CA 0.955 57.084 56.100 0.049 0.000 0.945 226 R CB -0.769 29.556 30.300 0.041 0.000 0.845 226 R HN 0.247 nan 8.270 nan 0.000 0.430 227 L N 1.438 122.688 121.223 0.044 0.000 2.552 227 L HA 0.030 4.370 4.340 -0.000 0.000 0.227 227 L C 0.155 177.052 176.870 0.044 0.000 1.146 227 L CA 0.195 55.058 54.840 0.039 0.000 0.858 227 L CB -0.228 41.850 42.059 0.031 0.000 0.969 227 L HN 0.067 nan 8.230 nan 0.000 0.451 228 K N -0.186 120.247 120.400 0.054 0.000 3.077 228 K HA -0.180 4.140 4.320 -0.000 0.000 0.264 228 K C -0.023 176.608 176.600 0.052 0.000 1.008 228 K CA 0.878 57.200 56.287 0.059 0.000 0.740 228 K CB -1.911 30.619 32.500 0.050 0.000 1.273 228 K HN 0.366 nan 8.250 nan 0.000 0.477 229 A N 0.926 123.767 122.820 0.036 0.000 2.337 229 A HA 0.737 5.057 4.320 -0.000 0.000 0.331 229 A C -2.219 175.334 177.584 -0.052 0.000 1.137 229 A CA -1.466 50.577 52.037 0.009 0.000 0.807 229 A CB 1.212 20.211 19.000 -0.003 0.000 1.250 229 A HN -0.009 nan 8.150 nan 0.000 0.468 230 P HA 0.350 nan 4.420 nan 0.000 0.275 230 P C -0.831 176.252 177.300 -0.360 0.000 1.228 230 P CA -0.036 62.918 63.100 -0.244 0.000 0.786 230 P CB 1.161 32.719 31.700 -0.236 0.000 0.927 231 V N 2.916 122.496 119.914 -0.556 0.000 2.540 231 V HA 0.388 4.508 4.120 -0.000 0.000 0.302 231 V C -0.570 175.108 176.094 -0.693 0.000 1.035 231 V CA -0.276 61.676 62.300 -0.579 0.000 0.873 231 V CB 1.324 32.582 31.823 -0.941 0.000 0.992 231 V HN 0.598 nan 8.190 nan 0.000 0.428 232 W N 2.458 123.522 121.300 -0.393 0.000 2.799 232 W HA 0.760 5.420 4.660 -0.000 0.000 0.349 232 W C -0.595 175.742 176.519 -0.303 0.000 1.100 232 W CA -0.903 56.185 57.345 -0.428 0.000 1.174 232 W CB 1.551 30.773 29.460 -0.397 0.000 1.427 232 W HN 0.278 nan 8.180 nan 0.000 0.547 233 V N 2.804 122.673 119.914 -0.075 0.000 2.427 233 V HA 0.595 4.715 4.120 -0.000 0.000 0.286 233 V C 0.540 176.517 176.094 -0.194 0.000 1.034 233 V CA -1.267 60.962 62.300 -0.117 0.000 0.893 233 V CB 0.480 32.127 31.823 -0.294 0.000 0.982 233 V HN 0.690 nan 8.190 nan 0.000 0.452 234 A N 8.399 131.143 122.820 -0.128 0.000 2.520 234 A HA 0.372 4.692 4.320 -0.000 0.000 0.235 234 A C -1.805 175.655 177.584 -0.207 0.000 1.065 234 A CA -0.661 51.281 52.037 -0.160 0.000 0.764 234 A CB -0.419 18.572 19.000 -0.015 0.000 1.002 234 A HN 0.705 nan 8.150 nan 0.000 0.502 235 P HA 0.034 nan 4.420 nan 0.000 0.268 235 P C 0.038 177.274 177.300 -0.107 0.000 1.208 235 P CA 0.711 63.689 63.100 -0.203 0.000 0.777 235 P CB 0.484 32.071 31.700 -0.188 0.000 0.875 236 S N -1.432 114.213 115.700 -0.091 0.000 3.587 236 S HA -0.183 4.287 4.470 -0.000 0.000 0.337 236 S C 0.672 175.310 174.600 0.063 0.000 1.119 236 S CA 0.712 58.913 58.200 0.002 0.000 0.976 236 S CB -2.214 61.037 63.200 0.085 0.000 0.922 236 S HN 0.974 nan 8.310 nan 0.000 0.503 237 A N 0.777 123.591 122.820 -0.009 0.000 2.563 237 A HA 0.296 4.616 4.320 -0.000 0.000 0.256 237 A C -0.594 177.244 177.584 0.423 0.000 1.056 237 A CA -0.140 51.987 52.037 0.150 0.000 0.775 237 A CB 0.062 19.100 19.000 0.064 0.000 0.973 237 A HN 0.324 nan 8.150 nan 0.000 0.516 238 P HA 0.071 nan 4.420 nan 0.000 0.235 238 P C 0.217 177.748 177.300 0.384 0.000 1.177 238 P CA 0.795 64.123 63.100 0.379 0.000 0.785 238 P CB 0.363 32.173 31.700 0.184 0.000 0.885 239 R N -2.696 118.042 120.500 0.397 0.000 2.781 239 R HA 0.546 4.886 4.340 -0.000 0.000 0.269 239 R C -1.455 175.098 176.300 0.421 0.000 1.025 239 R CA -0.803 55.476 56.100 0.299 0.000 0.914 239 R CB 1.074 31.438 30.300 0.108 0.000 1.236 239 R HN -0.152 nan 8.270 nan 0.000 0.465 240 C N 2.925 122.388 119.300 0.273 0.000 2.264 240 C HA 0.528 4.988 4.460 -0.000 0.000 0.324 240 C C -1.706 173.384 174.990 0.167 0.000 1.267 240 C CA -1.887 57.305 59.018 0.290 0.000 1.618 240 C CB 0.715 28.470 27.740 0.025 0.000 2.278 240 C HN 0.628 nan 8.230 nan 0.000 0.499 241 P HA 0.224 nan 4.420 nan 0.000 0.268 241 P C -0.332 177.115 177.300 0.245 0.000 1.329 241 P CA 0.231 63.437 63.100 0.177 0.000 0.899 241 P CB 0.117 31.922 31.700 0.174 0.000 1.378 242 F N 1.707 121.625 119.950 -0.052 0.000 2.665 242 F HA 0.445 4.972 4.527 -0.000 0.000 0.308 242 F C -2.618 173.006 175.800 -0.293 0.000 1.112 242 F CA -2.275 55.641 58.000 -0.140 0.000 0.972 242 F CB 2.151 41.100 39.000 -0.085 0.000 1.295 242 F HN -0.334 nan 8.300 nan 0.000 0.440 243 P HA 0.076 nan 4.420 nan 0.000 0.270 243 P C 0.471 177.527 177.300 -0.407 0.000 1.242 243 P CA 0.144 63.029 63.100 -0.359 0.000 0.768 243 P CB 0.764 32.273 31.700 -0.318 0.000 0.820 244 T N 0.939 115.179 114.554 -0.524 0.000 3.077 244 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 244 T C 1.139 175.774 174.700 -0.107 0.000 1.146 244 T CA 0.723 62.392 62.100 -0.718 0.000 1.091 244 T CB -0.357 68.299 68.868 -0.353 0.000 0.892 244 T HN 0.240 nan 8.240 nan 0.000 0.533 245 R N 0.201 120.677 120.500 -0.040 0.000 2.508 245 R HA 0.207 4.547 4.340 -0.000 0.000 0.300 245 R C 0.267 176.624 176.300 0.094 0.000 0.970 245 R CA -0.352 55.782 56.100 0.058 0.000 1.102 245 R CB -0.325 29.977 30.300 0.004 0.000 1.246 245 R HN 0.594 nan 8.270 nan 0.000 0.539 246 H N 3.433 122.524 119.070 0.036 0.000 2.815 246 H HA 0.061 4.617 4.556 -0.000 0.000 0.350 246 H C -1.372 174.043 175.328 0.144 0.000 1.080 246 H CA -1.206 54.880 56.048 0.063 0.000 1.433 246 H CB 1.582 31.368 29.762 0.040 0.000 1.432 246 H HN -0.125 nan 8.280 nan 0.000 0.592 247 P HA -0.176 nan 4.420 nan 0.000 0.217 247 P C 1.377 178.820 177.300 0.238 0.000 1.148 247 P CA 1.238 64.376 63.100 0.063 0.000 0.834 247 P CB -0.054 31.596 31.700 -0.083 0.000 0.783 248 C N -2.236 117.419 119.300 0.592 0.000 2.464 248 C HA 0.121 4.581 4.460 -0.000 0.000 0.278 248 C C 1.493 176.522 174.990 0.066 0.000 1.375 248 C CA -0.618 58.562 59.018 0.270 0.000 1.761 248 C CB -1.899 25.970 27.740 0.215 0.000 1.944 248 C HN 0.109 nan 8.230 nan 0.000 0.509 249 F N 2.296 122.289 119.950 0.073 0.000 2.623 249 F HA 0.086 4.612 4.527 -0.000 0.000 0.383 249 F C 1.289 176.905 175.800 -0.308 0.000 1.077 249 F CA 0.545 58.477 58.000 -0.114 0.000 1.268 249 F CB 0.449 39.523 39.000 0.123 0.000 1.053 249 F HN 0.046 nan 8.300 nan 0.000 0.571 250 R N 3.851 123.585 120.500 -1.277 0.000 2.565 250 R HA 0.303 4.643 4.340 -0.000 0.000 0.347 250 R C 0.624 176.131 176.300 -1.321 0.000 1.010 250 R CA 0.351 55.620 56.100 -1.384 0.000 1.126 250 R CB -0.008 28.962 30.300 -2.216 0.000 1.331 250 R HN 0.974 nan 8.270 nan 0.000 0.552 251 G N 1.336 109.010 108.800 -1.877 0.000 2.698 251 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.225 251 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.225 251 G C -0.896 173.634 174.900 -0.617 0.000 1.345 251 G CA -0.477 43.981 45.100 -1.070 0.000 0.871 251 G HN 0.203 nan 8.290 nan 0.000 0.540 252 L N 0.731 121.662 121.223 -0.488 0.000 2.319 252 L HA 0.699 5.039 4.340 -0.000 0.000 0.280 252 L C 1.076 177.750 176.870 -0.326 0.000 1.099 252 L CA -0.231 54.240 54.840 -0.615 0.000 0.828 252 L CB 0.565 41.991 42.059 -1.055 0.000 1.150 252 L HN 0.605 nan 8.230 nan 0.000 0.442 253 M N 7.782 127.205 119.600 -0.295 0.000 2.228 253 M HA 0.276 4.756 4.480 -0.000 0.000 0.351 253 M C -1.996 174.140 176.300 -0.274 0.000 1.233 253 M CA -1.515 53.600 55.300 -0.308 0.000 1.129 253 M CB 0.457 32.784 32.600 -0.454 0.000 1.604 253 M HN 0.490 nan 8.290 nan 0.000 0.457 254 P HA 0.100 nan 4.420 nan 0.000 0.271 254 P C -0.682 176.557 177.300 -0.103 0.000 1.216 254 P CA -0.207 62.807 63.100 -0.144 0.000 0.776 254 P CB 0.582 32.215 31.700 -0.111 0.000 0.881 255 A N 2.965 125.767 122.820 -0.031 0.000 2.900 255 A HA 0.412 4.732 4.320 -0.000 0.000 0.246 255 A C 0.943 178.649 177.584 0.202 0.000 1.725 255 A CA 0.125 52.218 52.037 0.093 0.000 1.400 255 A CB -1.427 17.665 19.000 0.154 0.000 0.973 255 A HN 0.639 nan 8.150 nan 0.000 0.635 256 G N -0.839 108.043 108.800 0.138 0.000 2.566 256 G HA2 0.491 4.451 3.960 -0.000 0.000 0.311 256 G HA3 0.491 4.451 3.960 -0.000 0.000 0.311 256 G C 0.656 175.534 174.900 -0.036 0.000 1.322 256 G CA -0.642 44.476 45.100 0.030 0.000 0.969 256 G HN 0.177 nan 8.290 nan 0.000 0.490 257 I N 1.645 121.977 120.570 -0.397 0.000 2.099 257 I HA -0.253 3.917 4.170 -0.000 0.000 0.239 257 I C 3.085 179.088 176.117 -0.191 0.000 1.066 257 I CA 1.842 62.856 61.300 -0.477 0.000 1.324 257 I CB -0.129 37.466 38.000 -0.674 0.000 1.037 257 I HN 0.558 nan 8.210 nan 0.000 0.401 258 A N 0.733 123.418 122.820 -0.225 0.000 1.877 258 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 258 A C 2.560 180.067 177.584 -0.128 0.000 1.186 258 A CA 2.009 53.945 52.037 -0.167 0.000 0.620 258 A CB -1.031 17.862 19.000 -0.179 0.000 0.822 258 A HN 0.456 nan 8.150 nan 0.000 0.443 259 A N -0.139 122.606 122.820 -0.126 0.000 1.917 259 A HA -0.175 4.145 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 1.798 53.756 52.037 -0.132 0.000 0.633 259 A CB -0.645 18.284 19.000 -0.118 0.000 0.819 259 A HN 0.532 nan 8.150 nan 0.000 0.448 260 I N 0.351 120.822 120.570 -0.165 0.000 2.286 260 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 260 I C 2.822 178.825 176.117 -0.191 0.000 1.104 260 I CA 1.467 62.614 61.300 -0.255 0.000 1.397 260 I CB -0.280 37.572 38.000 -0.247 0.000 1.072 260 I HN 0.523 nan 8.210 nan 0.000 0.417 261 S N 0.145 115.801 115.700 -0.073 0.000 2.423 261 S HA -0.243 4.227 4.470 -0.000 0.000 0.231 261 S C 1.896 176.455 174.600 -0.069 0.000 1.014 261 S CA 0.975 59.156 58.200 -0.032 0.000 0.965 261 S CB -0.299 62.902 63.200 0.001 0.000 0.785 261 S HN 0.344 nan 8.310 nan 0.000 0.495 262 Q N 1.095 120.834 119.800 -0.101 0.000 2.046 262 Q HA 0.104 4.444 4.340 -0.000 0.000 0.200 262 Q C 1.969 177.903 176.000 -0.110 0.000 0.975 262 Q CA 1.211 56.959 55.803 -0.092 0.000 0.836 262 Q CB -0.817 27.863 28.738 -0.096 0.000 0.896 262 Q HN 0.459 nan 8.270 nan 0.000 0.428 263 L N -0.157 120.940 121.223 -0.210 0.000 2.042 263 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 263 L C 1.995 178.749 176.870 -0.194 0.000 1.076 263 L CA 1.639 56.289 54.840 -0.317 0.000 0.749 263 L CB -0.590 41.027 42.059 -0.736 0.000 0.893 263 L HN 0.312 nan 8.230 nan 0.000 0.432 264 L N -1.054 120.061 121.223 -0.179 0.000 2.554 264 L HA -0.019 4.321 4.340 -0.000 0.000 0.226 264 L C 1.010 177.956 176.870 0.126 0.000 1.137 264 L CA -0.174 54.659 54.840 -0.011 0.000 0.863 264 L CB -0.405 41.614 42.059 -0.067 0.000 0.985 264 L HN 0.262 nan 8.230 nan 0.000 0.451 265 E N 0.521 120.747 120.200 0.042 0.000 2.452 265 E HA 0.118 4.468 4.350 -0.000 0.000 0.261 265 E C 1.124 177.715 176.600 -0.015 0.000 0.987 265 E CA 0.845 57.256 56.400 0.017 0.000 0.926 265 E CB 0.410 30.102 29.700 -0.013 0.000 0.934 265 E HN 0.294 nan 8.360 nan 0.000 0.452 266 G N 4.087 112.857 108.800 -0.050 0.000 2.234 266 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.235 266 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.235 266 G C -0.110 174.652 174.900 -0.230 0.000 0.997 266 G CA 0.037 45.047 45.100 -0.151 0.000 0.623 266 G HN 0.710 nan 8.290 nan 0.000 0.514 267 H N 1.885 120.964 119.070 0.015 0.000 2.594 267 H HA 0.260 4.816 4.556 -0.000 0.000 0.304 267 H C 1.193 176.532 175.328 0.018 0.000 1.068 267 H CA 0.262 56.324 56.048 0.023 0.000 1.308 267 H CB 1.431 31.213 29.762 0.033 0.000 1.409 267 H HN 0.476 nan 8.280 nan 0.000 0.460 268 D N 2.448 122.909 120.400 0.102 0.000 2.144 268 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 268 D C 0.481 176.823 176.300 0.070 0.000 0.978 268 D CA 0.583 54.622 54.000 0.065 0.000 0.833 268 D CB 0.370 41.194 40.800 0.041 0.000 0.961 268 D HN 0.110 nan 8.370 nan 0.000 0.470 269 V N 1.110 121.076 119.914 0.086 0.000 2.525 269 V HA 0.300 4.420 4.120 -0.000 0.000 0.299 269 V C -0.498 175.633 176.094 0.061 0.000 1.034 269 V CA -0.977 61.360 62.300 0.061 0.000 0.863 269 V CB 2.493 34.343 31.823 0.045 0.000 0.999 269 V HN -0.069 nan 8.190 nan 0.000 0.423 270 V N 6.070 126.012 119.914 0.046 0.000 2.357 270 V HA 0.451 4.571 4.120 -0.000 0.000 0.284 270 V C -0.406 175.702 176.094 0.024 0.000 1.018 270 V CA -0.570 61.748 62.300 0.029 0.000 0.841 270 V CB 1.628 33.478 31.823 0.044 0.000 0.991 270 V HN 0.657 nan 8.190 nan 0.000 0.437 271 L N 7.476 128.708 121.223 0.014 0.000 2.265 271 L HA 0.617 4.957 4.340 -0.000 0.000 0.289 271 L C -0.343 176.539 176.870 0.019 0.000 1.033 271 L CA 0.221 55.068 54.840 0.011 0.000 0.814 271 L CB 1.415 43.477 42.059 0.006 0.000 1.203 271 L HN 0.441 nan 8.230 nan 0.000 0.423 272 V N 6.864 126.791 119.914 0.022 0.000 2.435 272 V HA 0.504 4.624 4.120 -0.000 0.000 0.290 272 V C 0.139 176.244 176.094 0.018 0.000 1.030 272 V CA -0.429 61.895 62.300 0.041 0.000 0.881 272 V CB 1.465 33.321 31.823 0.054 0.000 0.983 272 V HN 0.600 nan 8.190 nan 0.000 0.445 273 I N 3.147 123.734 120.570 0.027 0.000 2.466 273 I HA 0.581 4.751 4.170 -0.000 0.000 0.289 273 I C 0.999 177.136 176.117 0.035 0.000 1.026 273 I CA -0.579 60.734 61.300 0.023 0.000 1.078 273 I CB 1.851 39.866 38.000 0.025 0.000 1.249 273 I HN 0.830 nan 8.210 nan 0.000 0.429 274 G N 4.531 113.347 108.800 0.028 0.000 2.323 274 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.292 274 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.292 274 G C -0.058 174.879 174.900 0.063 0.000 1.040 274 G CA 0.454 45.580 45.100 0.043 0.000 0.942 274 G HN 1.083 nan 8.290 nan 0.000 0.506 275 A N -0.893 121.956 122.820 0.049 0.000 2.572 275 A HA 0.925 5.245 4.320 -0.000 0.000 0.295 275 A C -2.940 174.654 177.584 0.016 0.000 1.072 275 A CA -1.345 50.724 52.037 0.053 0.000 0.691 275 A CB 1.765 20.811 19.000 0.076 0.000 1.291 275 A HN 0.099 nan 8.150 nan 0.000 0.404 276 P HA 0.402 nan 4.420 nan 0.000 0.277 276 P C -0.764 176.456 177.300 -0.135 0.000 1.240 276 P CA -0.252 62.815 63.100 -0.054 0.000 0.798 276 P CB 1.038 32.715 31.700 -0.039 0.000 0.979 277 V N 3.816 123.541 119.914 -0.315 0.000 2.259 277 V HA 0.389 4.509 4.120 -0.000 0.000 0.267 277 V C -0.439 175.293 176.094 -0.603 0.000 1.051 277 V CA 0.059 61.885 62.300 -0.791 0.000 0.830 277 V CB -1.210 30.118 31.823 -0.825 0.000 1.080 277 V HN 0.459 nan 8.190 nan 0.000 0.467 278 F N 1.978 121.668 119.950 -0.433 0.000 2.599 278 F HA 0.569 5.096 4.527 -0.000 0.000 0.311 278 F C 0.468 175.890 175.800 -0.630 0.000 1.076 278 F CA -1.313 56.334 58.000 -0.587 0.000 0.937 278 F CB 2.158 40.641 39.000 -0.862 0.000 1.282 278 F HN 0.149 nan 8.300 nan 0.000 0.460 279 R N 2.377 122.784 120.500 -0.154 0.000 3.247 279 R HA 0.195 4.535 4.340 -0.000 0.000 0.212 279 R C -1.301 174.960 176.300 -0.065 0.000 1.604 279 R CA 0.020 56.066 56.100 -0.089 0.000 1.279 279 R CB -1.121 29.165 30.300 -0.024 0.000 1.277 279 R HN 0.432 nan 8.270 nan 0.000 0.669 280 Y N 0.650 121.027 120.300 0.128 0.000 2.335 280 Y HA 0.028 4.578 4.550 -0.000 0.000 0.348 280 Y C 1.556 177.539 175.900 0.139 0.000 1.280 280 Y CA 0.165 58.339 58.100 0.123 0.000 1.504 280 Y CB 0.466 39.013 38.460 0.145 0.000 1.366 280 Y HN 0.490 nan 8.280 nan 0.000 0.621 281 H N -0.336 118.860 119.070 0.210 0.000 3.539 281 H HA 0.075 4.631 4.556 -0.000 0.000 0.134 281 H C -0.083 175.290 175.328 0.074 0.000 1.139 281 H CA 0.402 56.514 56.048 0.105 0.000 1.031 281 H CB -0.029 29.765 29.762 0.054 0.000 1.174 281 H HN 0.677 nan 8.280 nan 0.000 0.297 282 Q N 1.147 121.051 119.800 0.174 0.000 2.454 282 Q HA -0.051 4.289 4.340 -0.000 0.000 0.247 282 Q C -0.803 175.288 176.000 0.152 0.000 1.028 282 Q CA -0.210 55.620 55.803 0.044 0.000 0.910 282 Q CB 0.448 29.148 28.738 -0.064 0.000 1.276 282 Q HN 0.464 nan 8.270 nan 0.000 0.489 283 Y N 1.624 121.946 120.300 0.036 0.000 2.585 283 Y HA 0.174 4.724 4.550 -0.000 0.000 0.354 283 Y C -0.915 174.978 175.900 -0.011 0.000 1.024 283 Y CA -0.771 57.341 58.100 0.020 0.000 1.321 283 Y CB 0.348 38.838 38.460 0.051 0.000 1.151 283 Y HN 0.726 nan 8.280 nan 0.000 0.525 284 D N 8.947 129.109 120.400 -0.395 0.000 2.607 284 D HA 0.263 4.903 4.640 -0.000 0.000 0.318 284 D C -2.870 173.112 176.300 -0.530 0.000 1.212 284 D CA -2.211 51.557 54.000 -0.387 0.000 0.861 284 D CB 0.607 41.286 40.800 -0.201 0.000 1.064 284 D HN 0.251 nan 8.370 nan 0.000 0.500 285 P HA 0.316 nan 4.420 nan 0.000 0.266 285 P C 0.453 177.526 177.300 -0.379 0.000 1.193 285 P CA 0.408 63.134 63.100 -0.625 0.000 0.770 285 P CB 1.486 32.795 31.700 -0.651 0.000 0.836 286 G N 1.789 110.383 108.800 -0.344 0.000 2.399 286 G HA2 0.094 4.054 3.960 -0.000 0.000 0.256 286 G HA3 0.094 4.054 3.960 -0.000 0.000 0.256 286 G C -1.626 173.098 174.900 -0.292 0.000 1.236 286 G CA -0.640 44.304 45.100 -0.260 0.000 0.914 286 G HN 0.478 nan 8.290 nan 0.000 0.482 287 Q N -0.528 119.147 119.800 -0.208 0.000 2.235 287 Q HA 0.472 4.812 4.340 -0.000 0.000 0.250 287 Q C 0.284 176.207 176.000 -0.128 0.000 0.909 287 Q CA -0.574 55.125 55.803 -0.173 0.000 0.910 287 Q CB 1.822 30.516 28.738 -0.073 0.000 1.223 287 Q HN 0.565 nan 8.270 nan 0.000 0.432 288 Y N 1.067 121.366 120.300 -0.001 0.000 2.242 288 Y HA -0.072 4.478 4.550 -0.000 0.000 0.291 288 Y C 0.551 176.499 175.900 0.080 0.000 1.137 288 Y CA 0.542 58.677 58.100 0.058 0.000 1.181 288 Y CB 0.538 39.037 38.460 0.065 0.000 0.989 288 Y HN 0.364 nan 8.280 nan 0.000 0.527 289 L N 0.155 121.494 121.223 0.193 0.000 2.482 289 L HA 0.329 4.669 4.340 -0.000 0.000 0.263 289 L C -0.828 176.078 176.870 0.061 0.000 0.957 289 L CA -1.230 53.682 54.840 0.120 0.000 0.836 289 L CB 1.964 44.092 42.059 0.116 0.000 1.324 289 L HN -0.246 nan 8.230 nan 0.000 0.406 290 K N 1.869 122.290 120.400 0.035 0.000 2.202 290 K HA 0.364 4.684 4.320 -0.000 0.000 0.264 290 K C -2.366 174.246 176.600 0.019 0.000 1.010 290 K CA -1.693 54.602 56.287 0.014 0.000 0.940 290 K CB 0.613 33.113 32.500 0.000 0.000 0.983 290 K HN 0.197 nan 8.250 nan 0.000 0.475 291 P HA -0.021 nan 4.420 nan 0.000 0.265 291 P C 0.632 177.939 177.300 0.011 0.000 1.187 291 P CA 0.875 63.982 63.100 0.012 0.000 0.766 291 P CB 0.416 32.118 31.700 0.004 0.000 0.820 292 G N 1.210 110.018 108.800 0.015 0.000 2.232 292 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.226 292 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.226 292 G C 0.206 175.121 174.900 0.025 0.000 0.996 292 G CA -0.040 45.069 45.100 0.014 0.000 0.626 292 G HN 0.617 nan 8.290 nan 0.000 0.509 293 T N 1.469 116.044 114.554 0.035 0.000 2.795 293 T HA 0.620 4.969 4.350 -0.000 0.000 0.282 293 T C 0.028 174.755 174.700 0.045 0.000 0.980 293 T CA -0.334 61.796 62.100 0.051 0.000 1.012 293 T CB 1.894 70.800 68.868 0.064 0.000 0.936 293 T HN 0.529 nan 8.240 nan 0.000 0.457 294 R N 3.559 124.085 120.500 0.043 0.000 2.562 294 R HA 0.695 5.035 4.340 -0.000 0.000 0.298 294 R C -1.510 174.807 176.300 0.028 0.000 0.961 294 R CA -0.771 55.347 56.100 0.029 0.000 0.881 294 R CB 1.137 31.450 30.300 0.023 0.000 1.159 294 R HN 0.592 nan 8.270 nan 0.000 0.450 295 L N 5.537 126.767 121.223 0.011 0.000 2.346 295 L HA 0.599 4.939 4.340 -0.000 0.000 0.276 295 L C -1.324 175.532 176.870 -0.023 0.000 1.006 295 L CA -0.764 54.076 54.840 -0.000 0.000 0.817 295 L CB 1.653 43.704 42.059 -0.014 0.000 1.272 295 L HN 0.664 nan 8.230 nan 0.000 0.421 296 I N 3.686 124.244 120.570 -0.020 0.000 2.447 296 I HA 0.321 4.491 4.170 -0.000 0.000 0.287 296 I C -0.565 175.530 176.117 -0.037 0.000 1.023 296 I CA -0.332 60.951 61.300 -0.028 0.000 1.083 296 I CB 2.076 40.069 38.000 -0.012 0.000 1.245 296 I HN 0.517 nan 8.210 nan 0.000 0.434 297 S N 5.676 121.342 115.700 -0.057 0.000 2.454 297 S HA 0.643 5.112 4.470 -0.000 0.000 0.306 297 S C -0.799 173.774 174.600 -0.045 0.000 1.100 297 S CA -0.474 57.688 58.200 -0.063 0.000 1.087 297 S CB 1.350 64.483 63.200 -0.111 0.000 1.019 297 S HN 0.325 nan 8.310 nan 0.000 0.480 298 V N 4.863 124.759 119.914 -0.030 0.000 2.313 298 V HA 0.550 4.670 4.120 -0.000 0.000 0.278 298 V C 0.417 176.497 176.094 -0.024 0.000 1.017 298 V CA -0.455 61.831 62.300 -0.023 0.000 0.823 298 V CB 0.955 32.771 31.823 -0.012 0.000 1.010 298 V HN 0.940 nan 8.190 nan 0.000 0.443 299 T N 3.174 117.708 114.554 -0.033 0.000 2.916 299 T HA 0.290 4.640 4.350 -0.000 0.000 0.292 299 T C 0.844 175.513 174.700 -0.052 0.000 1.055 299 T CA -0.093 61.986 62.100 -0.034 0.000 1.009 299 T CB 1.498 70.345 68.868 -0.035 0.000 1.118 299 T HN 0.816 nan 8.240 nan 0.000 0.497 300 C N 1.305 120.557 119.300 -0.080 0.000 2.791 300 C HA 0.495 4.955 4.460 -0.000 0.000 0.270 300 C C 0.366 175.256 174.990 -0.168 0.000 1.257 300 C CA -0.538 58.402 59.018 -0.129 0.000 1.699 300 C CB -1.206 26.426 27.740 -0.180 0.000 1.904 300 C HN 0.738 nan 8.230 nan 0.000 0.603 301 D N 1.197 121.523 120.400 -0.124 0.000 2.471 301 D HA 0.361 5.001 4.640 -0.000 0.000 0.245 301 D C -1.938 174.339 176.300 -0.039 0.000 1.116 301 D CA -1.762 52.181 54.000 -0.096 0.000 0.853 301 D CB 2.167 42.951 40.800 -0.027 0.000 1.123 301 D HN -0.093 nan 8.370 nan 0.000 0.540 302 P HA -0.084 nan 4.420 nan 0.000 0.216 302 P C 1.753 179.055 177.300 0.004 0.000 1.150 302 P CA 0.818 63.910 63.100 -0.014 0.000 0.843 302 P CB 0.391 32.087 31.700 -0.006 0.000 0.787 303 L N -0.805 120.435 121.223 0.027 0.000 2.131 303 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 303 L C 2.343 179.233 176.870 0.034 0.000 1.092 303 L CA 1.523 56.396 54.840 0.055 0.000 0.759 303 L CB -0.702 41.426 42.059 0.115 0.000 0.903 303 L HN 0.077 nan 8.230 nan 0.000 0.435 304 E N -0.071 120.140 120.200 0.018 0.000 2.046 304 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 304 E C 2.325 178.899 176.600 -0.043 0.000 0.982 304 E CA 0.989 57.385 56.400 -0.008 0.000 0.800 304 E CB -0.089 29.612 29.700 0.001 0.000 0.756 304 E HN 0.457 nan 8.360 nan 0.000 0.449 305 A N 1.234 124.030 122.820 -0.041 0.000 1.972 305 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 305 A C 2.294 179.847 177.584 -0.053 0.000 1.169 305 A CA 1.667 53.670 52.037 -0.056 0.000 0.635 305 A CB -0.509 18.464 19.000 -0.045 0.000 0.810 305 A HN 0.303 nan 8.150 nan 0.000 0.446 306 A N 0.762 123.563 122.820 -0.031 0.000 1.897 306 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 306 A C 2.166 179.730 177.584 -0.034 0.000 1.181 306 A CA 1.471 53.493 52.037 -0.024 0.000 0.620 306 A CB -0.420 18.578 19.000 -0.003 0.000 0.821 306 A HN 0.694 nan 8.150 nan 0.000 0.443 307 R N -0.363 120.118 120.500 -0.033 0.000 2.299 307 R HA 0.424 4.763 4.340 -0.000 0.000 0.197 307 R C 0.751 176.997 176.300 -0.090 0.000 0.971 307 R CA 0.560 56.636 56.100 -0.039 0.000 1.030 307 R CB -0.532 29.763 30.300 -0.008 0.000 0.932 307 R HN 0.268 nan 8.270 nan 0.000 0.477 308 A N 3.626 126.370 122.820 -0.126 0.000 2.545 308 A HA 0.130 4.450 4.320 -0.000 0.000 0.253 308 A C -1.413 176.034 177.584 -0.228 0.000 1.074 308 A CA -1.133 50.779 52.037 -0.209 0.000 0.760 308 A CB 0.149 19.016 19.000 -0.221 0.000 1.005 308 A HN 0.298 nan 8.150 nan 0.000 0.506 309 P HA 0.027 nan 4.420 nan 0.000 0.245 309 P C -0.144 176.933 177.300 -0.372 0.000 1.212 309 P CA 0.774 63.615 63.100 -0.430 0.000 0.774 309 P CB -0.116 31.052 31.700 -0.887 0.000 0.999 310 M N -2.959 116.462 119.600 -0.299 0.000 2.833 310 M HA 0.579 5.059 4.480 -0.000 0.000 0.270 310 M C -0.449 175.763 176.300 -0.147 0.000 1.209 310 M CA -0.052 55.143 55.300 -0.175 0.000 0.826 310 M CB 1.091 33.617 32.600 -0.123 0.000 1.657 310 M HN 0.036 nan 8.290 nan 0.000 0.492 311 G N 1.602 110.350 108.800 -0.087 0.000 2.829 311 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.628 311 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.628 311 G C -1.331 173.526 174.900 -0.071 0.000 1.412 311 G CA -0.098 44.958 45.100 -0.073 0.000 0.864 311 G HN 1.022 nan 8.290 nan 0.000 0.544 312 D N 0.047 120.414 120.400 -0.055 0.000 2.388 312 D HA 0.747 5.387 4.640 -0.000 0.000 0.254 312 D C 0.664 176.929 176.300 -0.057 0.000 1.111 312 D CA 0.868 54.839 54.000 -0.048 0.000 0.993 312 D CB 1.655 42.437 40.800 -0.031 0.000 1.118 312 D HN 1.284 nan 8.370 nan 0.000 0.502 313 A N 0.402 123.193 122.820 -0.049 0.000 2.572 313 A HA 0.705 5.025 4.320 -0.000 0.000 0.295 313 A C -1.245 176.316 177.584 -0.038 0.000 1.072 313 A CA -0.621 51.385 52.037 -0.051 0.000 0.691 313 A CB 1.260 20.223 19.000 -0.063 0.000 1.291 313 A HN 0.457 nan 8.150 nan 0.000 0.404 314 I N 1.516 122.065 120.570 -0.035 0.000 2.478 314 I HA 0.348 4.517 4.170 -0.000 0.000 0.287 314 I C -0.943 175.156 176.117 -0.031 0.000 1.042 314 I CA -0.874 60.409 61.300 -0.028 0.000 1.067 314 I CB 2.141 40.128 38.000 -0.022 0.000 1.233 314 I HN 0.311 nan 8.210 nan 0.000 0.431 315 V N 5.940 125.835 119.914 -0.031 0.000 2.348 315 V HA 0.823 4.943 4.120 -0.000 0.000 0.270 315 V C 0.359 176.432 176.094 -0.035 0.000 1.037 315 V CA -0.024 62.255 62.300 -0.036 0.000 0.872 315 V CB 0.575 32.377 31.823 -0.036 0.000 1.002 315 V HN 0.897 nan 8.190 nan 0.000 0.464 316 A N 3.735 126.532 122.820 -0.038 0.000 2.493 316 A HA 0.625 4.945 4.320 -0.000 0.000 0.300 316 A C -1.177 176.385 177.584 -0.038 0.000 1.152 316 A CA -0.757 51.260 52.037 -0.033 0.000 0.643 316 A CB 0.951 19.937 19.000 -0.023 0.000 1.316 316 A HN 0.667 nan 8.150 nan 0.000 0.469 317 D N 0.184 120.567 120.400 -0.030 0.000 2.383 317 D HA 0.304 4.944 4.640 -0.000 0.000 0.252 317 D C 1.114 177.403 176.300 -0.018 0.000 1.166 317 D CA -0.323 53.660 54.000 -0.028 0.000 0.879 317 D CB 0.344 41.134 40.800 -0.016 0.000 1.164 317 D HN 0.281 nan 8.370 nan 0.000 0.462 318 I N 3.752 124.311 120.570 -0.018 0.000 2.286 318 I HA -0.073 4.096 4.170 -0.000 0.000 0.248 318 I C 2.232 178.354 176.117 0.008 0.000 1.115 318 I CA 1.091 62.389 61.300 -0.003 0.000 1.392 318 I CB -1.549 36.454 38.000 0.005 0.000 1.065 318 I HN 0.659 nan 8.210 nan 0.000 0.418 319 G N 0.738 109.542 108.800 0.007 0.000 2.414 319 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 319 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 319 G C 1.885 176.792 174.900 0.010 0.000 1.188 319 G CA 1.041 46.148 45.100 0.013 0.000 0.783 319 G HN 0.470 nan 8.290 nan 0.000 0.537 320 A N 0.448 123.272 122.820 0.006 0.000 1.883 320 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 320 A C 2.466 180.053 177.584 0.005 0.000 1.186 320 A CA 2.172 54.212 52.037 0.005 0.000 0.624 320 A CB -0.366 18.635 19.000 0.001 0.000 0.822 320 A HN 0.303 nan 8.150 nan 0.000 0.444 321 M N -0.562 119.040 119.600 0.003 0.000 2.099 321 M HA -0.086 4.394 4.480 -0.000 0.000 0.262 321 M C 2.579 178.885 176.300 0.010 0.000 1.067 321 M CA 1.598 56.900 55.300 0.004 0.000 1.124 321 M CB -1.591 31.009 32.600 -0.000 0.000 1.353 321 M HN 0.487 nan 8.290 nan 0.000 0.410 322 A N -0.352 122.476 122.820 0.015 0.000 1.883 322 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 322 A C 2.506 180.103 177.584 0.021 0.000 1.186 322 A CA 2.509 54.559 52.037 0.023 0.000 0.624 322 A CB -1.051 17.968 19.000 0.030 0.000 0.822 322 A HN 0.513 nan 8.150 nan 0.000 0.444 323 S N -0.470 115.240 115.700 0.017 0.000 2.343 323 S HA -0.062 4.408 4.470 -0.000 0.000 0.219 323 S C 2.248 176.856 174.600 0.013 0.000 1.033 323 S CA 1.817 60.026 58.200 0.015 0.000 1.014 323 S CB -0.643 62.564 63.200 0.011 0.000 0.915 323 S HN 0.925 nan 8.310 nan 0.000 0.435 324 A N 1.671 124.497 122.820 0.010 0.000 1.873 324 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 324 A C 2.315 179.906 177.584 0.010 0.000 1.193 324 A CA 1.852 53.894 52.037 0.008 0.000 0.629 324 A CB -1.090 17.913 19.000 0.005 0.000 0.826 324 A HN 0.599 nan 8.150 nan 0.000 0.447 325 L N -0.925 120.305 121.223 0.012 0.000 2.017 325 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 325 L C 3.108 179.989 176.870 0.018 0.000 1.073 325 L CA 1.128 55.977 54.840 0.014 0.000 0.745 325 L CB -0.608 41.460 42.059 0.015 0.000 0.894 325 L HN 0.457 nan 8.230 nan 0.000 0.432 326 A N 0.148 122.981 122.820 0.021 0.000 1.978 326 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 326 A C 1.823 179.419 177.584 0.021 0.000 1.170 326 A CA 1.847 53.899 52.037 0.025 0.000 0.636 326 A CB -0.456 18.561 19.000 0.027 0.000 0.810 326 A HN 0.515 nan 8.150 nan 0.000 0.448 327 N N -0.921 117.788 118.700 0.016 0.000 2.280 327 N HA 0.195 4.935 4.740 -0.000 0.000 0.192 327 N C 1.088 176.605 175.510 0.012 0.000 1.109 327 N CA 0.396 53.455 53.050 0.014 0.000 0.855 327 N CB 0.404 38.898 38.487 0.011 0.000 0.974 327 N HN 0.486 nan 8.380 nan 0.000 0.482 328 L N 0.204 121.435 121.223 0.013 0.000 2.577 328 L HA 0.189 4.529 4.340 -0.000 0.000 0.225 328 L C 0.652 177.530 176.870 0.013 0.000 1.053 328 L CA 0.030 54.877 54.840 0.011 0.000 0.866 328 L CB 0.114 42.178 42.059 0.009 0.000 1.132 328 L HN -0.107 nan 8.230 nan 0.000 0.486 329 V N -0.726 119.197 119.914 0.016 0.000 2.872 329 V HA 0.072 4.192 4.120 -0.000 0.000 0.307 329 V C 0.173 176.277 176.094 0.018 0.000 1.072 329 V CA -0.715 61.595 62.300 0.017 0.000 1.148 329 V CB 0.251 32.086 31.823 0.021 0.000 0.954 329 V HN 0.195 nan 8.190 nan 0.000 0.490 330 E N 1.596 121.807 120.200 0.018 0.000 2.349 330 E HA 0.299 4.649 4.350 -0.000 0.000 0.262 330 E C -0.366 176.247 176.600 0.021 0.000 1.088 330 E CA -0.536 55.874 56.400 0.018 0.000 0.899 330 E CB 0.893 30.603 29.700 0.016 0.000 1.044 330 E HN 0.907 nan 8.360 nan 0.000 0.420 331 E N 1.497 121.710 120.200 0.021 0.000 2.104 331 E HA 0.029 4.379 4.350 -0.000 0.000 0.278 331 E C -0.667 175.947 176.600 0.023 0.000 1.127 331 E CA -0.083 56.331 56.400 0.024 0.000 0.897 331 E CB 0.571 30.285 29.700 0.022 0.000 1.043 331 E HN 0.324 nan 8.360 nan 0.000 0.410 332 S N 3.067 118.783 115.700 0.027 0.000 2.572 332 S HA 0.025 4.495 4.470 -0.000 0.000 0.279 332 S C 1.040 175.654 174.600 0.024 0.000 1.341 332 S CA 0.139 58.355 58.200 0.026 0.000 1.043 332 S CB 0.546 63.765 63.200 0.030 0.000 0.887 332 S HN 0.657 nan 8.310 nan 0.000 0.516 333 S N 4.015 119.728 115.700 0.020 0.000 2.562 333 S HA 0.172 4.642 4.470 -0.000 0.000 0.221 333 S C 0.729 175.341 174.600 0.019 0.000 0.975 333 S CA -0.288 57.922 58.200 0.018 0.000 0.918 333 S CB -0.145 63.063 63.200 0.014 0.000 0.772 333 S HN 0.709 nan 8.310 nan 0.000 0.531 334 R N 1.534 122.047 120.500 0.022 0.000 2.827 334 R HA 0.168 4.508 4.340 -0.000 0.000 0.269 334 R C 0.081 176.396 176.300 0.024 0.000 1.048 334 R CA -0.079 56.035 56.100 0.023 0.000 1.173 334 R CB 0.189 30.506 30.300 0.029 0.000 1.070 334 R HN 0.351 nan 8.270 nan 0.000 0.498 335 Q N 1.602 121.415 119.800 0.022 0.000 2.314 335 Q HA 0.062 4.402 4.340 -0.000 0.000 0.258 335 Q C -0.234 175.783 176.000 0.029 0.000 0.954 335 Q CA -0.354 55.462 55.803 0.021 0.000 0.890 335 Q CB 0.847 29.595 28.738 0.015 0.000 1.210 335 Q HN 0.285 nan 8.270 nan 0.000 0.410 336 L N 5.065 126.306 121.223 0.031 0.000 2.490 336 L HA 0.150 4.490 4.340 -0.000 0.000 0.274 336 L C -2.108 174.784 176.870 0.037 0.000 1.201 336 L CA -0.789 54.077 54.840 0.044 0.000 0.869 336 L CB 0.033 42.118 42.059 0.043 0.000 1.123 336 L HN 0.427 nan 8.230 nan 0.000 0.484 337 P HA 0.056 nan 4.420 nan 0.000 0.266 337 P C -0.986 176.326 177.300 0.020 0.000 1.193 337 P CA 0.026 63.143 63.100 0.029 0.000 0.770 337 P CB 0.273 31.988 31.700 0.024 0.000 0.836 338 T N 1.887 116.443 114.554 0.004 0.000 2.832 338 T HA 0.427 4.777 4.350 -0.000 0.000 0.296 338 T C 0.356 175.053 174.700 -0.005 0.000 0.968 338 T CA -0.324 61.774 62.100 -0.003 0.000 1.107 338 T CB 0.529 69.393 68.868 -0.006 0.000 0.916 338 T HN 0.464 nan 8.240 nan 0.000 0.517 339 A N 2.766 125.584 122.820 -0.003 0.000 2.531 339 A HA 0.525 4.845 4.320 -0.000 0.000 0.236 339 A C 0.879 178.461 177.584 -0.003 0.000 1.062 339 A CA -0.415 51.627 52.037 0.008 0.000 0.760 339 A CB -0.244 18.758 19.000 0.003 0.000 0.995 339 A HN 1.083 nan 8.150 nan 0.000 0.501 340 A N 3.847 126.665 122.820 -0.003 0.000 2.445 340 A HA 0.544 4.864 4.320 -0.000 0.000 0.242 340 A C -1.392 176.191 177.584 -0.002 0.000 1.075 340 A CA -0.878 51.146 52.037 -0.021 0.000 0.777 340 A CB -0.518 18.456 19.000 -0.043 0.000 1.013 340 A HN 0.806 nan 8.150 nan 0.000 0.493 341 P HA 0.160 nan 4.420 nan 0.000 0.274 341 P C -0.479 176.824 177.300 0.006 0.000 1.231 341 P CA -0.351 62.749 63.100 -0.000 0.000 0.790 341 P CB 0.562 32.260 31.700 -0.003 0.000 0.951 342 E N 2.410 122.614 120.200 0.008 0.000 2.413 342 E HA 0.096 4.446 4.350 -0.000 0.000 0.263 342 E C -1.534 175.072 176.600 0.010 0.000 1.015 342 E CA -0.930 55.477 56.400 0.012 0.000 0.916 342 E CB -0.289 29.417 29.700 0.010 0.000 0.947 342 E HN 0.446 nan 8.360 nan 0.000 0.440 343 P HA 0.079 nan 4.420 nan 0.000 0.269 343 P C -0.680 176.626 177.300 0.010 0.000 1.215 343 P CA -0.266 62.841 63.100 0.011 0.000 0.780 343 P CB 0.596 32.305 31.700 0.015 0.000 0.898 344 A N 2.785 125.608 122.820 0.006 0.000 2.466 344 A HA 0.128 4.448 4.320 -0.000 0.000 0.238 344 A C 0.587 178.173 177.584 0.004 0.000 1.074 344 A CA -0.137 51.902 52.037 0.002 0.000 0.774 344 A CB -0.072 18.926 19.000 -0.003 0.000 1.015 344 A HN 0.530 nan 8.150 nan 0.000 0.498 345 K N 2.670 123.071 120.400 0.002 0.000 2.262 345 K HA 0.365 4.685 4.320 -0.000 0.000 0.282 345 K C -0.656 175.936 176.600 -0.014 0.000 1.066 345 K CA -0.144 56.145 56.287 0.003 0.000 0.901 345 K CB 0.459 32.964 32.500 0.008 0.000 1.089 345 K HN 0.439 nan 8.250 nan 0.000 0.476 346 V N 3.739 123.636 119.914 -0.028 0.000 2.811 346 V HA -0.023 4.097 4.120 -0.000 0.000 0.302 346 V C 0.494 176.542 176.094 -0.077 0.000 1.063 346 V CA -0.318 61.933 62.300 -0.081 0.000 1.088 346 V CB 0.781 32.515 31.823 -0.149 0.000 0.982 346 V HN 0.715 nan 8.190 nan 0.000 0.485 347 D N 2.883 123.224 120.400 -0.099 0.000 2.455 347 D HA 0.257 4.897 4.640 -0.000 0.000 0.241 347 D C -0.053 176.249 176.300 0.003 0.000 1.138 347 D CA 0.359 54.334 54.000 -0.041 0.000 0.877 347 D CB 0.992 41.775 40.800 -0.028 0.000 1.187 347 D HN 0.534 nan 8.370 nan 0.000 0.451 348 Q N 2.189 122.033 119.800 0.074 0.000 2.350 348 Q HA 0.208 4.548 4.340 -0.000 0.000 0.255 348 Q C -1.349 174.709 176.000 0.097 0.000 0.951 348 Q CA -0.757 55.138 55.803 0.153 0.000 0.751 348 Q CB 0.977 29.794 28.738 0.132 0.000 1.296 348 Q HN 0.381 nan 8.270 nan 0.000 0.453 349 D N 1.858 122.316 120.400 0.096 0.000 2.376 349 D HA 0.344 4.984 4.640 -0.000 0.000 0.268 349 D C 0.322 176.643 176.300 0.036 0.000 1.252 349 D CA -0.009 54.024 54.000 0.055 0.000 1.041 349 D CB 0.412 41.241 40.800 0.048 0.000 1.109 349 D HN 0.435 nan 8.370 nan 0.000 0.552 350 A N -1.113 121.721 122.820 0.023 0.000 2.302 350 A HA 0.461 4.781 4.320 -0.000 0.000 0.219 350 A C 0.996 178.584 177.584 0.005 0.000 1.243 350 A CA 0.396 52.442 52.037 0.015 0.000 0.856 350 A CB -1.125 17.883 19.000 0.014 0.000 0.893 350 A HN 0.535 nan 8.150 nan 0.000 0.491 351 G N -0.638 108.161 108.800 -0.001 0.000 2.849 351 G HA2 0.433 4.393 3.960 -0.000 0.000 0.174 351 G HA3 0.433 4.393 3.960 -0.000 0.000 0.174 351 G C -0.037 174.840 174.900 -0.038 0.000 1.370 351 G CA -1.048 44.042 45.100 -0.016 0.000 1.040 351 G HN 0.432 nan 8.290 nan 0.000 0.582 352 R N -0.758 119.707 120.500 -0.059 0.000 2.697 352 R HA 0.130 4.470 4.340 -0.000 0.000 0.265 352 R C -0.616 175.600 176.300 -0.141 0.000 1.009 352 R CA -0.063 55.987 56.100 -0.085 0.000 1.099 352 R CB 0.057 30.303 30.300 -0.089 0.000 0.965 352 R HN 0.139 nan 8.270 nan 0.000 0.428 353 L N 2.638 123.789 121.223 -0.121 0.000 2.375 353 L HA 0.203 4.543 4.340 -0.000 0.000 0.271 353 L C 0.679 177.444 176.870 -0.176 0.000 1.107 353 L CA -0.092 54.676 54.840 -0.121 0.000 0.806 353 L CB 0.519 42.538 42.059 -0.067 0.000 1.146 353 L HN 0.368 nan 8.230 nan 0.000 0.447 354 H N 2.115 121.169 119.070 -0.027 0.000 2.525 354 H HA 0.158 4.714 4.556 -0.000 0.000 0.339 354 H C -1.643 173.652 175.328 -0.056 0.000 1.109 354 H CA -1.607 54.428 56.048 -0.021 0.000 1.352 354 H CB 1.429 31.191 29.762 -0.001 0.000 1.461 354 H HN 0.375 nan 8.280 nan 0.000 0.533 355 P HA -0.178 nan 4.420 nan 0.000 0.216 355 P C 1.063 178.339 177.300 -0.041 0.000 1.153 355 P CA 1.399 64.457 63.100 -0.071 0.000 0.858 355 P CB 0.462 32.220 31.700 0.096 0.000 0.789 356 E N -1.055 119.238 120.200 0.154 0.000 2.086 356 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 356 E C 2.014 178.682 176.600 0.113 0.000 1.012 356 E CA 1.937 58.452 56.400 0.192 0.000 0.812 356 E CB -1.583 28.181 29.700 0.108 0.000 0.743 356 E HN 0.237 nan 8.360 nan 0.000 0.453 357 T N 0.294 114.889 114.554 0.069 0.000 2.720 357 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 357 T C 2.001 176.690 174.700 -0.018 0.000 1.037 357 T CA 1.388 63.513 62.100 0.040 0.000 1.144 357 T CB -0.380 68.524 68.868 0.060 0.000 0.864 357 T HN -0.025 nan 8.240 nan 0.000 0.444 358 V N 0.777 120.614 119.914 -0.129 0.000 2.287 358 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 358 V C 2.092 178.070 176.094 -0.193 0.000 1.053 358 V CA 1.764 63.924 62.300 -0.232 0.000 1.027 358 V CB -0.862 30.696 31.823 -0.442 0.000 0.646 358 V HN 0.485 nan 8.190 nan 0.000 0.447 359 F N 0.266 120.222 119.950 0.010 0.000 2.134 359 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 359 F C 2.407 178.196 175.800 -0.019 0.000 1.097 359 F CA 1.419 59.404 58.000 -0.024 0.000 1.264 359 F CB -0.446 38.526 39.000 -0.048 0.000 1.001 359 F HN 0.181 nan 8.300 nan 0.000 0.479 360 D N -0.176 120.322 120.400 0.163 0.000 2.117 360 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 360 D C 2.257 178.600 176.300 0.072 0.000 0.987 360 D CA 1.803 55.861 54.000 0.096 0.000 0.829 360 D CB -0.804 40.039 40.800 0.071 0.000 0.961 360 D HN 0.165 nan 8.370 nan 0.000 0.460 361 T N 1.056 115.643 114.554 0.056 0.000 2.708 361 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 361 T C 2.236 176.976 174.700 0.066 0.000 1.037 361 T CA 0.498 62.625 62.100 0.045 0.000 1.146 361 T CB -0.339 68.542 68.868 0.022 0.000 0.865 361 T HN 0.107 nan 8.240 nan 0.000 0.435 362 L N 1.239 122.516 121.223 0.091 0.000 2.042 362 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 362 L C 2.716 179.685 176.870 0.164 0.000 1.076 362 L CA 1.307 56.237 54.840 0.150 0.000 0.749 362 L CB -0.597 41.599 42.059 0.228 0.000 0.893 362 L HN 0.404 nan 8.230 nan 0.000 0.432 363 N N -0.280 118.496 118.700 0.128 0.000 2.104 363 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 363 N C 1.277 176.835 175.510 0.081 0.000 1.024 363 N CA 1.542 54.652 53.050 0.100 0.000 0.853 363 N CB 0.105 38.623 38.487 0.053 0.000 1.008 363 N HN 0.332 nan 8.380 nan 0.000 0.424 364 D N 0.284 120.724 120.400 0.065 0.000 2.149 364 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 364 D C 1.820 178.147 176.300 0.046 0.000 0.972 364 D CA 1.044 55.072 54.000 0.047 0.000 0.835 364 D CB -0.028 40.795 40.800 0.038 0.000 0.966 364 D HN 0.447 nan 8.370 nan 0.000 0.476 365 M N 0.246 119.878 119.600 0.054 0.000 2.486 365 M HA 0.175 4.655 4.480 -0.000 0.000 0.264 365 M C 0.946 177.271 176.300 0.042 0.000 1.125 365 M CA -0.013 55.312 55.300 0.042 0.000 1.144 365 M CB 0.446 33.069 32.600 0.038 0.000 1.353 365 M HN -0.193 nan 8.290 nan 0.000 0.466 366 A N 2.605 125.466 122.820 0.069 0.000 2.407 366 A HA 0.390 4.710 4.320 -0.000 0.000 0.248 366 A C -2.068 175.531 177.584 0.024 0.000 1.082 366 A CA -1.204 50.861 52.037 0.046 0.000 0.785 366 A CB -0.652 18.406 19.000 0.097 0.000 1.020 366 A HN 0.123 nan 8.150 nan 0.000 0.489 367 P HA 0.054 nan 4.420 nan 0.000 0.270 367 P C 0.187 177.481 177.300 -0.010 0.000 1.223 367 P CA -0.038 63.052 63.100 -0.017 0.000 0.785 367 P CB 0.531 32.209 31.700 -0.037 0.000 0.923 368 E N 1.254 121.452 120.200 -0.005 0.000 2.265 368 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 368 E C 0.843 177.437 176.600 -0.010 0.000 0.996 368 E CA 0.960 57.360 56.400 0.001 0.000 0.832 368 E CB -0.269 29.427 29.700 -0.006 0.000 0.756 368 E HN 0.537 nan 8.360 nan 0.000 0.491 369 N N 0.639 119.322 118.700 -0.028 0.000 2.321 369 N HA 0.138 4.878 4.740 -0.000 0.000 0.242 369 N C -0.204 175.265 175.510 -0.069 0.000 1.141 369 N CA -0.114 52.913 53.050 -0.038 0.000 0.864 369 N CB 0.215 38.682 38.487 -0.033 0.000 1.100 369 N HN -0.062 nan 8.380 nan 0.000 0.510 370 A N 0.780 123.535 122.820 -0.109 0.000 2.425 370 A HA 0.472 4.792 4.320 -0.000 0.000 0.242 370 A C 0.103 177.520 177.584 -0.279 0.000 1.077 370 A CA -0.177 51.715 52.037 -0.243 0.000 0.781 370 A CB 0.160 18.925 19.000 -0.391 0.000 1.020 370 A HN 0.402 nan 8.150 nan 0.000 0.494 371 I N 1.224 121.604 120.570 -0.317 0.000 2.389 371 I HA 0.314 4.484 4.170 -0.000 0.000 0.288 371 I C -1.220 174.746 176.117 -0.252 0.000 0.999 371 I CA -0.237 60.963 61.300 -0.166 0.000 1.129 371 I CB 1.176 39.167 38.000 -0.015 0.000 1.288 371 I HN 0.612 nan 8.210 nan 0.000 0.444 372 Y N 6.107 126.426 120.300 0.031 0.000 2.387 372 Y HA 0.644 5.194 4.550 -0.000 0.000 0.330 372 Y C -0.351 175.552 175.900 0.004 0.000 1.133 372 Y CA -0.810 57.306 58.100 0.028 0.000 1.152 372 Y CB 1.479 39.968 38.460 0.047 0.000 1.215 372 Y HN 0.335 nan 8.280 nan 0.000 0.466 373 L N 2.564 123.886 121.223 0.165 0.000 2.386 373 L HA 0.401 4.741 4.340 -0.000 0.000 0.271 373 L C -0.625 176.307 176.870 0.102 0.000 0.993 373 L CA -0.507 54.378 54.840 0.075 0.000 0.819 373 L CB 1.965 44.058 42.059 0.057 0.000 1.294 373 L HN 0.669 nan 8.230 nan 0.000 0.414 374 N N 1.931 120.674 118.700 0.073 0.000 2.399 374 N HA 0.326 5.066 4.740 -0.000 0.000 0.280 374 N C -0.823 174.894 175.510 0.345 0.000 1.008 374 N CA -0.220 52.977 53.050 0.245 0.000 0.894 374 N CB 1.237 39.914 38.487 0.318 0.000 1.273 374 N HN 0.759 nan 8.380 nan 0.000 0.486 375 E N 2.464 122.834 120.200 0.283 0.000 3.843 375 E HA 0.049 4.399 4.350 -0.000 0.000 0.189 375 E C -1.333 175.410 176.600 0.238 0.000 1.013 375 E CA -0.101 56.441 56.400 0.237 0.000 1.395 375 E CB 0.479 30.270 29.700 0.153 0.000 1.136 375 E HN 0.352 nan 8.360 nan 0.000 0.444 376 S N 0.443 116.316 115.700 0.288 0.000 2.217 376 S HA 0.055 4.525 4.470 -0.000 0.000 0.168 376 S C 1.419 176.184 174.600 0.275 0.000 1.526 376 S CA 0.096 58.449 58.200 0.255 0.000 1.150 376 S CB 0.081 63.446 63.200 0.274 0.000 1.158 376 S HN 0.465 nan 8.310 nan 0.000 0.473 377 T N 0.333 115.050 114.554 0.271 0.000 2.792 377 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 377 T C 1.628 176.447 174.700 0.199 0.000 1.059 377 T CA 2.000 64.265 62.100 0.275 0.000 1.136 377 T CB -0.672 68.337 68.868 0.235 0.000 0.846 377 T HN 0.689 nan 8.240 nan 0.000 0.489 378 S N 0.603 116.399 115.700 0.161 0.000 2.556 378 S HA 0.167 4.637 4.470 -0.000 0.000 0.216 378 S C 1.533 176.162 174.600 0.050 0.000 0.970 378 S CA 0.235 58.480 58.200 0.075 0.000 0.912 378 S CB -0.188 63.053 63.200 0.068 0.000 0.790 378 S HN 0.778 nan 8.310 nan 0.000 0.504 379 T N -3.177 111.459 114.554 0.136 0.000 3.091 379 T HA 0.205 4.555 4.350 -0.000 0.000 0.277 379 T C 1.241 176.015 174.700 0.123 0.000 0.996 379 T CA 0.271 62.480 62.100 0.181 0.000 0.897 379 T CB -0.254 68.837 68.868 0.372 0.000 1.109 379 T HN 0.148 nan 8.240 nan 0.000 0.534 380 T N 2.406 117.018 114.554 0.097 0.000 2.665 380 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 380 T C 2.376 177.105 174.700 0.049 0.000 1.035 380 T CA 1.777 63.921 62.100 0.074 0.000 1.151 380 T CB -0.743 68.148 68.868 0.039 0.000 0.862 380 T HN 0.647 nan 8.240 nan 0.000 0.438 381 A N 1.457 124.280 122.820 0.004 0.000 1.865 381 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 381 A C 2.328 179.896 177.584 -0.027 0.000 1.191 381 A CA 1.861 53.891 52.037 -0.011 0.000 0.623 381 A CB -0.780 18.193 19.000 -0.045 0.000 0.826 381 A HN 0.483 nan 8.150 nan 0.000 0.444 382 Q N -0.941 118.830 119.800 -0.048 0.000 2.124 382 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 382 Q C 2.113 177.936 176.000 -0.294 0.000 0.977 382 Q CA 1.683 57.450 55.803 -0.059 0.000 0.850 382 Q CB -0.481 28.312 28.738 0.092 0.000 0.901 382 Q HN 0.783 nan 8.270 nan 0.000 0.429 383 M N -1.164 118.040 119.600 -0.661 0.000 2.080 383 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 383 M C 1.152 177.078 176.300 -0.623 0.000 1.068 383 M CA 1.666 56.216 55.300 -1.250 0.000 1.109 383 M CB -0.156 31.698 32.600 -1.244 0.000 1.342 383 M HN 0.307 nan 8.290 nan 0.000 0.405 384 W N 0.733 121.778 121.300 -0.425 0.000 2.421 384 W HA -0.160 4.500 4.660 -0.000 0.000 0.270 384 W C 2.294 178.702 176.519 -0.186 0.000 1.233 384 W CA 1.233 58.390 57.345 -0.313 0.000 1.226 384 W CB -0.023 29.282 29.460 -0.258 0.000 1.121 384 W HN 0.398 nan 8.180 nan 0.000 0.579 385 Q N -0.925 118.891 119.800 0.027 0.000 2.250 385 Q HA 0.022 4.362 4.340 -0.000 0.000 0.200 385 Q C 1.805 177.794 176.000 -0.017 0.000 0.941 385 Q CA 0.737 56.559 55.803 0.032 0.000 0.872 385 Q CB -0.002 28.744 28.738 0.014 0.000 0.965 385 Q HN 0.259 nan 8.270 nan 0.000 0.480 386 R N -0.272 120.172 120.500 -0.093 0.000 2.334 386 R HA 0.242 4.582 4.340 -0.000 0.000 0.216 386 R C -0.118 176.121 176.300 -0.100 0.000 0.905 386 R CA 0.030 56.096 56.100 -0.057 0.000 1.064 386 R CB 0.577 30.890 30.300 0.023 0.000 1.046 386 R HN 0.055 nan 8.270 nan 0.000 0.508 387 L N 1.428 122.522 121.223 -0.214 0.000 2.305 387 L HA 0.284 4.624 4.340 -0.000 0.000 0.284 387 L C -0.401 176.356 176.870 -0.187 0.000 1.013 387 L CA -0.552 54.126 54.840 -0.271 0.000 0.819 387 L CB 1.692 43.400 42.059 -0.586 0.000 1.227 387 L HN 0.121 nan 8.230 nan 0.000 0.417 388 N N 5.127 123.771 118.700 -0.093 0.000 2.439 388 N HA 0.323 5.063 4.740 -0.000 0.000 0.243 388 N C -0.853 174.624 175.510 -0.055 0.000 1.088 388 N CA -0.512 52.498 53.050 -0.066 0.000 0.940 388 N CB 0.554 39.025 38.487 -0.026 0.000 1.180 388 N HN 0.569 nan 8.380 nan 0.000 0.505 389 M N 3.639 123.172 119.600 -0.113 0.000 2.055 389 M HA 0.248 4.728 4.480 -0.000 0.000 0.346 389 M C 0.937 177.168 176.300 -0.115 0.000 1.074 389 M CA -0.440 54.810 55.300 -0.083 0.000 1.009 389 M CB 1.519 34.040 32.600 -0.132 0.000 1.423 389 M HN 0.444 nan 8.290 nan 0.000 0.410 390 R N 0.545 120.998 120.500 -0.078 0.000 2.127 390 R HA 0.121 4.461 4.340 -0.000 0.000 0.217 390 R C 0.390 176.628 176.300 -0.103 0.000 1.074 390 R CA 0.672 56.714 56.100 -0.097 0.000 0.991 390 R CB 0.116 30.376 30.300 -0.067 0.000 0.895 390 R HN 0.630 nan 8.270 nan 0.000 0.450 391 N N 1.170 119.827 118.700 -0.073 0.000 2.485 391 N HA 0.302 5.042 4.740 -0.000 0.000 0.280 391 N C -2.603 172.873 175.510 -0.056 0.000 1.205 391 N CA -1.641 51.371 53.050 -0.063 0.000 0.959 391 N CB 0.667 39.130 38.487 -0.041 0.000 1.206 391 N HN -0.222 nan 8.380 nan 0.000 0.545 392 P HA 0.140 nan 4.420 nan 0.000 0.274 392 P C 0.292 177.586 177.300 -0.010 0.000 1.256 392 P CA 0.152 63.238 63.100 -0.024 0.000 0.795 392 P CB 0.272 31.966 31.700 -0.010 0.000 1.038 393 G N 0.517 109.309 108.800 -0.012 0.000 2.366 393 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.299 393 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.299 393 G C 0.525 175.417 174.900 -0.013 0.000 1.020 393 G CA 0.542 45.644 45.100 0.004 0.000 1.026 393 G HN 0.425 nan 8.290 nan 0.000 0.512 394 S N -1.489 114.163 115.700 -0.079 0.000 2.559 394 S HA 0.374 4.844 4.470 -0.000 0.000 0.226 394 S C -0.110 174.517 174.600 0.045 0.000 1.000 394 S CA 0.100 58.299 58.200 -0.001 0.000 0.948 394 S CB 0.614 63.824 63.200 0.016 0.000 0.870 394 S HN 0.764 nan 8.310 nan 0.000 0.497 395 Y N 0.686 120.780 120.300 -0.343 0.000 2.479 395 Y HA 0.570 5.120 4.550 -0.000 0.000 0.338 395 Y C -2.194 173.397 175.900 -0.516 0.000 1.055 395 Y CA -1.297 56.627 58.100 -0.293 0.000 1.023 395 Y CB 1.067 39.316 38.460 -0.352 0.000 1.287 395 Y HN 0.070 nan 8.280 nan 0.000 0.447 396 Y N 6.414 126.430 120.300 -0.473 0.000 2.433 396 Y HA 0.556 5.106 4.550 -0.000 0.000 0.337 396 Y C -1.533 174.250 175.900 -0.194 0.000 1.026 396 Y CA -1.067 56.945 58.100 -0.147 0.000 1.037 396 Y CB 2.139 40.676 38.460 0.127 0.000 1.245 396 Y HN 0.590 nan 8.280 nan 0.000 0.443 397 F N 3.127 123.074 119.950 -0.005 0.000 2.574 397 F HA 0.525 5.052 4.527 -0.000 0.000 0.313 397 F C -0.267 175.482 175.800 -0.085 0.000 1.130 397 F CA -1.774 56.246 58.000 0.034 0.000 0.936 397 F CB 0.897 39.978 39.000 0.135 0.000 1.219 397 F HN 0.725 nan 8.300 nan 0.000 0.445 398 C N 4.656 123.445 119.300 -0.851 0.000 2.250 398 C HA 0.363 4.823 4.460 -0.000 0.000 0.405 398 C C 1.702 176.301 174.990 -0.651 0.000 1.516 398 C CA -0.029 58.396 59.018 -0.989 0.000 1.412 398 C CB -1.476 25.839 27.740 -0.707 0.000 2.534 398 C HN 1.058 nan 8.230 nan 0.000 0.621 399 A N 3.253 125.794 122.820 -0.465 0.000 2.032 399 A HA 0.151 4.470 4.320 -0.000 0.000 0.221 399 A C 2.239 179.754 177.584 -0.114 0.000 1.165 399 A CA 1.978 53.915 52.037 -0.166 0.000 0.645 399 A CB -0.399 18.502 19.000 -0.165 0.000 0.807 399 A HN 1.700 nan 8.150 nan 0.000 0.453 400 A N -2.561 120.151 122.820 -0.180 0.000 2.430 400 A HA 0.471 4.791 4.320 -0.000 0.000 0.243 400 A C 1.622 179.122 177.584 -0.139 0.000 1.254 400 A CA 0.972 52.942 52.037 -0.112 0.000 0.914 400 A CB -0.537 18.412 19.000 -0.084 0.000 0.998 400 A HN 1.837 nan 8.150 nan 0.000 0.515 401 G N -1.004 107.669 108.800 -0.210 0.000 2.162 401 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.260 401 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.260 401 G C 0.685 175.450 174.900 -0.226 0.000 0.976 401 G CA 0.213 45.190 45.100 -0.206 0.000 0.655 401 G HN 1.465 nan 8.290 nan 0.000 0.533 402 G N 0.332 108.990 108.800 -0.236 0.000 2.365 402 G HA2 0.565 4.525 3.960 -0.000 0.000 0.293 402 G HA3 0.565 4.525 3.960 -0.000 0.000 0.293 402 G C 0.542 175.293 174.900 -0.248 0.000 1.128 402 G CA -0.515 44.459 45.100 -0.210 0.000 0.971 402 G HN 0.614 nan 8.290 nan 0.000 0.422 403 L N 1.796 122.794 121.223 -0.376 0.000 2.467 403 L HA 0.421 4.761 4.340 -0.000 0.000 0.270 403 L C 1.486 178.142 176.870 -0.356 0.000 1.205 403 L CA 0.838 55.403 54.840 -0.457 0.000 0.828 403 L CB 0.878 42.428 42.059 -0.849 0.000 1.101 403 L HN 0.822 nan 8.230 nan 0.000 0.479 404 G N 1.470 110.219 108.800 -0.085 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 0.105 175.073 174.900 0.113 0.000 1.000 404 G CA 0.224 45.384 45.100 0.099 0.000 0.664 404 G HN 0.640 nan 8.290 nan 0.000 0.513 405 F N 1.457 121.371 119.950 -0.060 0.000 2.222 405 F HA 0.542 5.069 4.527 -0.000 0.000 0.285 405 F C 2.541 178.328 175.800 -0.023 0.000 1.068 405 F CA 1.845 59.810 58.000 -0.059 0.000 1.265 405 F CB -0.572 38.357 39.000 -0.118 0.000 1.087 405 F HN 0.245 nan 8.300 nan 0.000 0.511 406 A N 1.545 124.297 122.820 -0.113 0.000 1.896 406 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 406 A C 2.329 179.831 177.584 -0.137 0.000 1.206 406 A CA 2.336 54.262 52.037 -0.185 0.000 0.647 406 A CB -1.557 17.487 19.000 0.074 0.000 0.828 406 A HN 0.615 nan 8.150 nan 0.000 0.455 407 L N 0.105 121.344 121.223 0.027 0.000 1.970 407 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 407 L C -0.273 176.668 176.870 0.118 0.000 1.071 407 L CA 2.330 57.272 54.840 0.171 0.000 0.751 407 L CB -0.834 41.303 42.059 0.130 0.000 0.889 407 L HN 0.308 nan 8.230 nan 0.000 0.432 408 P HA -0.132 nan 4.420 nan 0.000 0.217 408 P C 1.252 178.461 177.300 -0.153 0.000 1.151 408 P CA 1.896 64.972 63.100 -0.040 0.000 0.828 408 P CB -0.058 31.614 31.700 -0.046 0.000 0.788 409 A N 0.908 123.496 122.820 -0.387 0.000 1.933 409 A HA -0.058 4.261 4.320 -0.000 0.000 0.218 409 A C 2.520 179.885 177.584 -0.364 0.000 1.175 409 A CA 2.096 53.796 52.037 -0.562 0.000 0.628 409 A CB -1.565 16.605 19.000 -1.384 0.000 0.814 409 A HN 0.227 nan 8.150 nan 0.000 0.444 410 A N -0.103 122.558 122.820 -0.264 0.000 1.972 410 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 410 A C 2.071 179.576 177.584 -0.131 0.000 1.169 410 A CA 1.521 53.444 52.037 -0.190 0.000 0.635 410 A CB -0.579 18.311 19.000 -0.184 0.000 0.810 410 A HN 0.532 nan 8.150 nan 0.000 0.446 411 I N -0.665 119.882 120.570 -0.038 0.000 2.286 411 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 411 I C 2.688 178.815 176.117 0.016 0.000 1.104 411 I CA 1.003 62.322 61.300 0.032 0.000 1.397 411 I CB -0.633 37.440 38.000 0.121 0.000 1.072 411 I HN 0.386 nan 8.210 nan 0.000 0.417 412 G N 0.687 109.470 108.800 -0.029 0.000 2.402 412 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 412 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 412 G C 1.724 176.660 174.900 0.059 0.000 1.162 412 G CA 0.750 45.864 45.100 0.025 0.000 0.777 412 G HN 0.211 nan 8.290 nan 0.000 0.539 413 V N 0.618 120.477 119.914 -0.091 0.000 2.295 413 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 413 V C 2.786 178.860 176.094 -0.034 0.000 1.049 413 V CA 2.293 64.523 62.300 -0.116 0.000 1.024 413 V CB -0.481 31.219 31.823 -0.204 0.000 0.648 413 V HN 0.423 nan 8.190 nan 0.000 0.447 414 Q N -0.174 119.605 119.800 -0.036 0.000 2.124 414 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 414 Q C 1.922 177.944 176.000 0.036 0.000 0.977 414 Q CA 1.808 57.599 55.803 -0.021 0.000 0.850 414 Q CB -0.538 28.171 28.738 -0.049 0.000 0.901 414 Q HN 0.567 nan 8.270 nan 0.000 0.429 415 L N -0.402 120.878 121.223 0.096 0.000 2.141 415 L HA 0.082 4.422 4.340 -0.000 0.000 0.209 415 L C 1.894 178.909 176.870 0.242 0.000 1.094 415 L CA 1.937 56.874 54.840 0.163 0.000 0.763 415 L CB -0.676 41.498 42.059 0.192 0.000 0.908 415 L HN 0.224 nan 8.230 nan 0.000 0.437 416 A N -1.621 121.323 122.820 0.207 0.000 1.975 416 A HA 0.054 4.374 4.320 -0.000 0.000 0.215 416 A C 1.127 178.701 177.584 -0.017 0.000 1.170 416 A CA 0.648 52.693 52.037 0.013 0.000 0.656 416 A CB -0.122 18.723 19.000 -0.259 0.000 0.821 416 A HN 0.389 nan 8.150 nan 0.000 0.449 417 E N 0.033 120.232 120.200 -0.001 0.000 3.167 417 E HA 0.159 4.509 4.350 -0.000 0.000 0.212 417 E C -2.106 174.492 176.600 -0.004 0.000 1.143 417 E CA -1.695 54.699 56.400 -0.009 0.000 1.002 417 E CB 0.817 30.508 29.700 -0.014 0.000 1.315 417 E HN 0.405 nan 8.360 nan 0.000 0.422 418 P HA -0.133 nan 4.420 nan 0.000 0.221 418 P C 0.637 177.932 177.300 -0.007 0.000 1.145 418 P CA 1.004 64.108 63.100 0.006 0.000 0.795 418 P CB 0.610 32.320 31.700 0.017 0.000 0.775 419 E N -0.390 119.804 120.200 -0.011 0.000 2.479 419 E HA 0.092 4.442 4.350 -0.000 0.000 0.193 419 E C 0.634 177.218 176.600 -0.026 0.000 1.049 419 E CA 0.196 56.586 56.400 -0.016 0.000 0.870 419 E CB 0.159 29.851 29.700 -0.014 0.000 0.944 419 E HN 0.420 nan 8.360 nan 0.000 0.492 420 R N 1.023 121.503 120.500 -0.033 0.000 2.480 420 R HA 0.254 4.594 4.340 -0.000 0.000 0.306 420 R C -0.302 175.955 176.300 -0.071 0.000 0.958 420 R CA -0.846 55.225 56.100 -0.049 0.000 0.861 420 R CB 1.383 31.657 30.300 -0.043 0.000 1.171 420 R HN -0.162 nan 8.270 nan 0.000 0.445 421 Q N 2.408 122.153 119.800 -0.091 0.000 2.262 421 Q HA 0.107 4.447 4.340 -0.000 0.000 0.272 421 Q C -0.898 175.000 176.000 -0.171 0.000 1.076 421 Q CA 0.176 55.908 55.803 -0.118 0.000 0.905 421 Q CB 0.856 29.525 28.738 -0.115 0.000 1.182 421 Q HN 0.391 nan 8.270 nan 0.000 0.390 422 V N 6.845 126.659 119.914 -0.166 0.000 2.465 422 V HA 0.403 4.523 4.120 -0.000 0.000 0.279 422 V C 0.125 176.074 176.094 -0.241 0.000 1.045 422 V CA -0.412 61.770 62.300 -0.197 0.000 0.938 422 V CB 1.054 32.776 31.823 -0.168 0.000 0.986 422 V HN 0.721 nan 8.190 nan 0.000 0.467 423 I N 4.315 124.735 120.570 -0.251 0.000 2.439 423 I HA 0.586 4.756 4.170 -0.000 0.000 0.283 423 I C 0.119 176.207 176.117 -0.048 0.000 1.023 423 I CA -0.504 60.691 61.300 -0.174 0.000 1.100 423 I CB 1.716 39.624 38.000 -0.153 0.000 1.238 423 I HN 0.637 nan 8.210 nan 0.000 0.445 424 A N 6.708 129.476 122.820 -0.086 0.000 2.249 424 A HA 0.665 4.985 4.320 -0.000 0.000 0.314 424 A C -0.348 177.306 177.584 0.116 0.000 1.290 424 A CA -0.437 51.614 52.037 0.023 0.000 0.893 424 A CB 0.718 19.703 19.000 -0.024 0.000 1.165 424 A HN 0.459 nan 8.150 nan 0.000 0.530 425 V N 5.125 125.151 119.914 0.186 0.000 2.334 425 V HA 0.315 4.435 4.120 -0.000 0.000 0.267 425 V C -0.116 176.089 176.094 0.185 0.000 1.040 425 V CA 0.185 62.602 62.300 0.195 0.000 0.866 425 V CB 0.049 32.052 31.823 0.299 0.000 1.019 425 V HN 0.702 nan 8.190 nan 0.000 0.468 426 I N 3.675 124.328 120.570 0.138 0.000 2.465 426 I HA 0.571 4.741 4.170 -0.000 0.000 0.291 426 I C 0.975 177.133 176.117 0.069 0.000 1.014 426 I CA -0.556 60.821 61.300 0.129 0.000 1.093 426 I CB 1.962 40.044 38.000 0.137 0.000 1.267 426 I HN 0.640 nan 8.210 nan 0.000 0.431 427 G N 2.883 111.750 108.800 0.112 0.000 2.594 427 G HA2 0.037 3.997 3.960 -0.000 0.000 0.243 427 G HA3 0.037 3.997 3.960 -0.000 0.000 0.243 427 G C 0.861 175.785 174.900 0.040 0.000 1.229 427 G CA -0.278 44.878 45.100 0.094 0.000 0.843 427 G HN 0.851 nan 8.290 nan 0.000 0.578 428 D N 0.752 121.143 120.400 -0.015 0.000 2.218 428 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 428 D C 2.032 178.508 176.300 0.293 0.000 0.976 428 D CA 1.339 55.309 54.000 -0.050 0.000 0.853 428 D CB -0.598 40.244 40.800 0.070 0.000 0.939 428 D HN 0.459 nan 8.370 nan 0.000 0.481 429 G N 0.386 109.383 108.800 0.327 0.000 2.395 429 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.214 429 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.214 429 G C 1.861 177.090 174.900 0.549 0.000 1.177 429 G CA 0.772 46.173 45.100 0.503 0.000 0.794 429 G HN 0.324 nan 8.290 nan 0.000 0.532 430 S N 1.226 117.207 115.700 0.469 0.000 2.383 430 S HA -0.065 4.404 4.470 -0.000 0.000 0.229 430 S C 2.735 177.601 174.600 0.444 0.000 1.030 430 S CA 1.159 59.639 58.200 0.466 0.000 1.002 430 S CB -0.374 62.971 63.200 0.242 0.000 0.829 430 S HN 0.576 nan 8.310 nan 0.000 0.467 431 A N 2.548 125.553 122.820 0.309 0.000 2.032 431 A HA -0.184 4.136 4.320 -0.000 0.000 0.221 431 A C 1.893 179.657 177.584 0.299 0.000 1.165 431 A CA 1.487 53.682 52.037 0.265 0.000 0.645 431 A CB -0.553 18.561 19.000 0.190 0.000 0.807 431 A HN 0.515 nan 8.150 nan 0.000 0.453 432 N N -1.181 117.700 118.700 0.301 0.000 2.216 432 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 432 N C 1.519 177.078 175.510 0.082 0.000 1.017 432 N CA 1.523 54.661 53.050 0.147 0.000 0.861 432 N CB -0.529 37.977 38.487 0.031 0.000 0.986 432 N HN 0.638 nan 8.380 nan 0.000 0.428 433 Y N 1.532 121.911 120.300 0.132 0.000 2.102 433 Y HA -0.138 4.412 4.550 -0.000 0.000 0.280 433 Y C 1.649 177.593 175.900 0.074 0.000 1.178 433 Y CA 1.182 59.339 58.100 0.096 0.000 1.146 433 Y CB -0.246 38.266 38.460 0.087 0.000 0.968 433 Y HN -0.047 nan 8.280 nan 0.000 0.504 434 S N -0.862 114.974 115.700 0.227 0.000 2.751 434 S HA 0.142 4.612 4.470 -0.000 0.000 0.247 434 S C 1.179 175.822 174.600 0.072 0.000 1.103 434 S CA -0.344 57.930 58.200 0.123 0.000 1.090 434 S CB -0.081 63.181 63.200 0.104 0.000 0.928 434 S HN 0.235 nan 8.310 nan 0.000 0.502 435 I N 2.981 123.606 120.570 0.092 0.000 2.248 435 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 435 I C 2.348 178.456 176.117 -0.015 0.000 1.107 435 I CA 1.901 63.252 61.300 0.085 0.000 1.373 435 I CB -0.325 37.767 38.000 0.153 0.000 1.055 435 I HN 0.472 nan 8.210 nan 0.000 0.418 436 S N 0.564 116.213 115.700 -0.086 0.000 2.500 436 S HA -0.064 4.406 4.470 -0.000 0.000 0.239 436 S C 2.175 176.535 174.600 -0.400 0.000 0.989 436 S CA 0.669 58.593 58.200 -0.460 0.000 0.951 436 S CB -0.969 62.071 63.200 -0.267 0.000 0.759 436 S HN 0.518 nan 8.310 nan 0.000 0.523 437 A N 2.265 124.990 122.820 -0.158 0.000 1.978 437 A HA 0.072 4.391 4.320 -0.000 0.000 0.220 437 A C 2.186 179.734 177.584 -0.061 0.000 1.170 437 A CA 1.336 53.339 52.037 -0.057 0.000 0.636 437 A CB -0.884 18.112 19.000 -0.006 0.000 0.810 437 A HN 0.571 nan 8.150 nan 0.000 0.448 438 L N -2.543 118.577 121.223 -0.170 0.000 2.064 438 L HA -0.285 4.054 4.340 -0.000 0.000 0.216 438 L C 2.466 179.332 176.870 -0.008 0.000 1.077 438 L CA 2.015 56.760 54.840 -0.158 0.000 0.766 438 L CB -0.570 41.411 42.059 -0.130 0.000 0.890 438 L HN 0.764 nan 8.230 nan 0.000 0.435 439 W N 0.946 122.079 121.300 -0.278 0.000 2.321 439 W HA -0.263 4.397 4.660 -0.000 0.000 0.306 439 W C 2.597 179.104 176.519 -0.020 0.000 1.217 439 W CA 2.369 59.637 57.345 -0.128 0.000 1.257 439 W CB -0.423 28.882 29.460 -0.258 0.000 1.145 439 W HN 0.005 nan 8.180 nan 0.000 0.509 440 T N 0.336 114.991 114.554 0.169 0.000 2.788 440 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 440 T C 1.933 176.693 174.700 0.098 0.000 1.044 440 T CA 1.925 64.121 62.100 0.159 0.000 1.139 440 T CB -0.909 68.134 68.868 0.293 0.000 0.867 440 T HN 0.266 nan 8.240 nan 0.000 0.454 441 A N 1.460 124.337 122.820 0.095 0.000 1.902 441 A HA 0.138 4.457 4.320 -0.000 0.000 0.217 441 A C 2.643 180.238 177.584 0.020 0.000 1.181 441 A CA 1.873 53.985 52.037 0.124 0.000 0.623 441 A CB -1.128 18.021 19.000 0.248 0.000 0.818 441 A HN 0.510 nan 8.150 nan 0.000 0.443 442 A N -1.240 121.531 122.820 -0.081 0.000 1.858 442 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 442 A C 2.146 179.543 177.584 -0.312 0.000 1.190 442 A CA 1.665 53.607 52.037 -0.159 0.000 0.617 442 A CB -0.566 18.333 19.000 -0.168 0.000 0.827 442 A HN 0.470 nan 8.150 nan 0.000 0.443 443 Q N -1.040 118.392 119.800 -0.614 0.000 2.077 443 Q HA -0.187 4.153 4.340 -0.000 0.000 0.206 443 Q C 1.272 176.861 176.000 -0.685 0.000 0.989 443 Q CA 1.745 57.039 55.803 -0.848 0.000 0.853 443 Q CB -0.430 27.419 28.738 -1.480 0.000 0.907 443 Q HN 0.870 nan 8.270 nan 0.000 0.418 444 Y N -0.056 120.120 120.300 -0.206 0.000 2.493 444 Y HA 0.132 4.682 4.550 -0.000 0.000 0.275 444 Y C 0.334 176.191 175.900 -0.073 0.000 1.183 444 Y CA -0.393 57.639 58.100 -0.112 0.000 1.258 444 Y CB -0.317 38.094 38.460 -0.081 0.000 1.108 444 Y HN 0.163 nan 8.280 nan 0.000 0.521 445 N N 1.433 120.132 118.700 -0.003 0.000 2.686 445 N HA -0.229 4.511 4.740 -0.000 0.000 0.261 445 N C -1.136 174.403 175.510 0.048 0.000 1.001 445 N CA 0.288 53.343 53.050 0.009 0.000 0.764 445 N CB -1.102 37.381 38.487 -0.006 0.000 0.898 445 N HN 0.402 nan 8.380 nan 0.000 0.544 446 I N 1.583 122.196 120.570 0.071 0.000 2.287 446 I HA 0.208 4.378 4.170 -0.000 0.000 0.290 446 I C -1.280 174.867 176.117 0.049 0.000 1.069 446 I CA -2.031 59.309 61.300 0.066 0.000 1.237 446 I CB 1.198 39.252 38.000 0.090 0.000 1.418 446 I HN 0.136 nan 8.210 nan 0.000 0.481 447 P HA -0.066 nan 4.420 nan 0.000 0.311 447 P C 0.135 177.401 177.300 -0.057 0.000 1.543 447 P CA 0.216 63.315 63.100 -0.003 0.000 0.766 447 P CB -0.708 30.986 31.700 -0.010 0.000 1.711 448 T N 1.280 115.778 114.554 -0.094 0.000 2.918 448 T HA 0.247 4.597 4.350 -0.000 0.000 0.302 448 T C 0.754 175.198 174.700 -0.427 0.000 1.045 448 T CA 0.246 62.153 62.100 -0.321 0.000 1.114 448 T CB 0.687 69.249 68.868 -0.511 0.000 0.965 448 T HN 0.067 nan 8.240 nan 0.000 0.540 449 I N 3.234 123.523 120.570 -0.469 0.000 2.339 449 I HA 0.347 4.517 4.170 -0.000 0.000 0.290 449 I C -0.874 174.994 176.117 -0.415 0.000 0.994 449 I CA -0.652 60.473 61.300 -0.291 0.000 1.191 449 I CB 0.919 38.840 38.000 -0.132 0.000 1.343 449 I HN 0.513 nan 8.210 nan 0.000 0.458 450 F N 6.013 125.978 119.950 0.024 0.000 2.361 450 F HA 0.376 4.903 4.527 -0.000 0.000 0.364 450 F C 0.100 175.910 175.800 0.017 0.000 1.117 450 F CA -0.872 57.144 58.000 0.027 0.000 1.071 450 F CB 1.244 40.265 39.000 0.036 0.000 1.188 450 F HN 0.017 nan 8.300 nan 0.000 0.464 451 V N 5.657 125.658 119.914 0.145 0.000 2.304 451 V HA 0.260 4.380 4.120 -0.000 0.000 0.269 451 V C 0.105 176.222 176.094 0.037 0.000 1.036 451 V CA -0.566 61.780 62.300 0.077 0.000 0.840 451 V CB 0.571 32.426 31.823 0.054 0.000 1.036 451 V HN 0.423 nan 8.190 nan 0.000 0.466 452 I N 6.078 126.629 120.570 -0.031 0.000 2.337 452 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 452 I C 0.304 176.324 176.117 -0.162 0.000 1.046 452 I CA -0.297 60.901 61.300 -0.171 0.000 1.324 452 I CB 1.181 38.911 38.000 -0.451 0.000 1.409 452 I HN 0.441 nan 8.210 nan 0.000 0.494 453 M N 5.861 125.395 119.600 -0.111 0.000 2.264 453 M HA 0.137 4.617 4.480 -0.000 0.000 0.340 453 M C 0.182 176.434 176.300 -0.080 0.000 1.420 453 M CA -0.019 55.235 55.300 -0.077 0.000 1.254 453 M CB -0.597 31.988 32.600 -0.026 0.000 1.575 453 M HN 0.358 nan 8.290 nan 0.000 0.452 454 N N 3.813 122.467 118.700 -0.076 0.000 2.527 454 N HA 0.161 4.901 4.740 -0.000 0.000 0.236 454 N C -0.091 175.434 175.510 0.026 0.000 0.999 454 N CA -0.078 52.959 53.050 -0.021 0.000 0.935 454 N CB 0.469 38.968 38.487 0.020 0.000 1.132 454 N HN 0.495 nan 8.380 nan 0.000 0.511 455 N N 2.019 120.747 118.700 0.047 0.000 2.197 455 N HA 0.160 4.900 4.740 -0.000 0.000 0.228 455 N C 0.886 176.432 175.510 0.059 0.000 1.212 455 N CA 0.070 53.149 53.050 0.047 0.000 0.883 455 N CB 0.037 38.554 38.487 0.050 0.000 1.107 455 N HN 0.449 nan 8.380 nan 0.000 0.519 456 G N -0.872 107.973 108.800 0.075 0.000 2.233 456 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.270 456 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.270 456 G C -0.025 174.886 174.900 0.019 0.000 1.011 456 G CA 1.046 46.181 45.100 0.058 0.000 0.762 456 G HN 0.804 nan 8.290 nan 0.000 0.511 457 T N -1.956 112.621 114.554 0.038 0.000 2.840 457 T HA 0.496 4.846 4.350 -0.000 0.000 0.317 457 T C -0.530 174.252 174.700 0.137 0.000 1.401 457 T CA -0.629 61.485 62.100 0.023 0.000 1.028 457 T CB 0.885 69.798 68.868 0.075 0.000 1.317 457 T HN 0.247 nan 8.240 nan 0.000 0.495 458 Y N 2.667 123.052 120.300 0.143 0.000 2.623 458 Y HA 0.230 4.780 4.550 -0.000 0.000 0.341 458 Y C 1.901 177.904 175.900 0.171 0.000 1.292 458 Y CA -0.535 57.663 58.100 0.165 0.000 1.840 458 Y CB -0.001 38.561 38.460 0.171 0.000 1.865 458 Y HN 0.964 nan 8.280 nan 0.000 0.440 459 G N 1.538 110.521 108.800 0.305 0.000 2.599 459 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.219 459 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.219 459 G C 1.835 176.900 174.900 0.275 0.000 1.193 459 G CA 1.186 46.434 45.100 0.245 0.000 0.778 459 G HN 0.650 nan 8.290 nan 0.000 0.589 460 A N 0.345 123.317 122.820 0.254 0.000 1.948 460 A HA -0.014 4.306 4.320 -0.000 0.000 0.220 460 A C 2.495 180.282 177.584 0.338 0.000 1.177 460 A CA 1.683 53.877 52.037 0.261 0.000 0.636 460 A CB -0.409 18.715 19.000 0.205 0.000 0.815 460 A HN 0.407 nan 8.150 nan 0.000 0.449 461 L N -1.625 119.784 121.223 0.311 0.000 2.109 461 L HA -0.131 4.208 4.340 -0.000 0.000 0.207 461 L C 2.843 179.908 176.870 0.324 0.000 1.086 461 L CA 1.207 56.241 54.840 0.323 0.000 0.760 461 L CB -0.513 41.712 42.059 0.275 0.000 0.910 461 L HN 0.374 nan 8.230 nan 0.000 0.437 462 R N -0.714 119.973 120.500 0.312 0.000 2.092 462 R HA -0.196 4.144 4.340 -0.000 0.000 0.231 462 R C 2.146 178.628 176.300 0.304 0.000 1.119 462 R CA 1.539 57.796 56.100 0.262 0.000 0.970 462 R CB -0.354 30.093 30.300 0.245 0.000 0.864 462 R HN 0.520 nan 8.270 nan 0.000 0.440 463 W N 0.855 122.251 121.300 0.160 0.000 2.322 463 W HA -0.296 4.364 4.660 -0.000 0.000 0.326 463 W C 1.834 178.474 176.519 0.201 0.000 1.224 463 W CA 1.303 58.740 57.345 0.154 0.000 1.257 463 W CB -0.766 28.782 29.460 0.147 0.000 1.174 463 W HN 0.038 nan 8.180 nan 0.000 0.460 464 F N 1.645 121.674 119.950 0.133 0.000 2.115 464 F HA -0.357 4.170 4.527 -0.000 0.000 0.300 464 F C 2.490 178.251 175.800 -0.064 0.000 1.092 464 F CA 2.407 60.396 58.000 -0.019 0.000 1.245 464 F CB -0.556 38.495 39.000 0.085 0.000 0.995 464 F HN -0.012 nan 8.300 nan 0.000 0.481 465 A N 0.384 123.190 122.820 -0.022 0.000 1.927 465 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 465 A C 2.386 179.853 177.584 -0.195 0.000 1.185 465 A CA 2.001 53.953 52.037 -0.141 0.000 0.639 465 A CB -1.840 17.159 19.000 -0.002 0.000 0.820 465 A HN 0.540 nan 8.150 nan 0.000 0.451 466 G N -0.376 108.316 108.800 -0.179 0.000 2.418 466 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 466 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 466 G C 1.674 176.392 174.900 -0.303 0.000 1.158 466 G CA 2.146 47.101 45.100 -0.241 0.000 0.771 466 G HN 1.096 nan 8.290 nan 0.000 0.545 467 V N 0.268 119.961 119.914 -0.368 0.000 2.237 467 V HA -0.094 4.026 4.120 -0.000 0.000 0.245 467 V C 2.681 178.629 176.094 -0.244 0.000 1.046 467 V CA 1.874 64.008 62.300 -0.277 0.000 1.007 467 V CB -0.873 30.863 31.823 -0.145 0.000 0.638 467 V HN 0.301 nan 8.190 nan 0.000 0.445 468 L N 0.194 121.195 121.223 -0.370 0.000 2.549 468 L HA -0.020 4.320 4.340 -0.000 0.000 0.230 468 L C 1.733 178.475 176.870 -0.213 0.000 1.162 468 L CA 1.465 56.106 54.840 -0.333 0.000 0.834 468 L CB -1.405 40.350 42.059 -0.507 0.000 0.947 468 L HN 0.535 nan 8.230 nan 0.000 0.452 469 E N -0.799 119.286 120.200 -0.193 0.000 2.735 469 E HA -0.258 4.092 4.350 -0.000 0.000 0.261 469 E C 0.592 177.123 176.600 -0.115 0.000 1.137 469 E CA 0.296 56.617 56.400 -0.132 0.000 0.754 469 E CB -0.897 28.742 29.700 -0.100 0.000 1.352 469 E HN 0.613 nan 8.360 nan 0.000 0.430 470 A N 1.362 124.093 122.820 -0.148 0.000 2.492 470 A HA 0.197 4.517 4.320 -0.000 0.000 0.254 470 A C 0.364 177.904 177.584 -0.073 0.000 1.091 470 A CA 0.425 52.392 52.037 -0.117 0.000 0.768 470 A CB 0.300 19.205 19.000 -0.158 0.000 1.028 470 A HN 0.212 nan 8.150 nan 0.000 0.498 471 E N 1.838 122.010 120.200 -0.047 0.000 2.299 471 E HA 0.401 4.751 4.350 -0.000 0.000 0.265 471 E C -0.558 176.035 176.600 -0.012 0.000 0.911 471 E CA -1.220 55.165 56.400 -0.025 0.000 0.789 471 E CB 1.047 30.734 29.700 -0.022 0.000 1.246 471 E HN 0.683 nan 8.360 nan 0.000 0.427 472 N N -0.262 118.438 118.700 0.001 0.000 2.780 472 N HA -0.134 4.606 4.740 -0.000 0.000 0.248 472 N C -0.980 174.539 175.510 0.016 0.000 1.102 472 N CA 0.353 53.408 53.050 0.009 0.000 0.697 472 N CB -1.280 37.209 38.487 0.004 0.000 1.028 472 N HN 0.164 nan 8.380 nan 0.000 0.554 473 V N 2.196 122.124 119.914 0.024 0.000 2.432 473 V HA 0.302 4.422 4.120 -0.000 0.000 0.271 473 V C -0.808 175.320 176.094 0.056 0.000 1.046 473 V CA -0.823 61.500 62.300 0.039 0.000 0.945 473 V CB 1.207 33.057 31.823 0.045 0.000 0.992 473 V HN 0.133 nan 8.190 nan 0.000 0.471 474 P HA 0.297 nan 4.420 nan 0.000 0.277 474 P C 0.665 178.022 177.300 0.094 0.000 1.271 474 P CA 0.241 63.379 63.100 0.063 0.000 0.795 474 P CB 0.781 32.511 31.700 0.051 0.000 1.101 475 G N -0.024 108.829 108.800 0.088 0.000 2.341 475 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.292 475 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.292 475 G C 0.549 175.563 174.900 0.190 0.000 1.021 475 G CA 0.490 45.661 45.100 0.120 0.000 0.905 475 G HN 0.482 nan 8.290 nan 0.000 0.508 476 L N -1.060 120.252 121.223 0.147 0.000 2.554 476 L HA 0.247 4.587 4.340 -0.000 0.000 0.225 476 L C 0.386 177.273 176.870 0.028 0.000 1.104 476 L CA 0.109 55.075 54.840 0.211 0.000 0.866 476 L CB 0.068 42.241 42.059 0.188 0.000 1.047 476 L HN 0.137 nan 8.230 nan 0.000 0.468 477 D N 0.446 120.810 120.400 -0.061 0.000 2.185 477 D HA 0.324 4.964 4.640 -0.000 0.000 0.247 477 D C -0.014 176.152 176.300 -0.223 0.000 1.027 477 D CA -0.079 53.847 54.000 -0.124 0.000 0.861 477 D CB 3.027 43.804 40.800 -0.038 0.000 1.202 477 D HN -0.195 nan 8.370 nan 0.000 0.453 478 V N -0.772 118.999 119.914 -0.238 0.000 2.468 478 V HA 0.349 4.469 4.120 -0.000 0.000 0.256 478 V C -2.503 173.544 176.094 -0.079 0.000 0.998 478 V CA -1.361 60.817 62.300 -0.203 0.000 1.114 478 V CB 0.450 32.094 31.823 -0.299 0.000 1.378 478 V HN 0.317 nan 8.190 nan 0.000 0.573 479 P HA 0.425 nan 4.420 nan 0.000 0.276 479 P C 0.831 178.108 177.300 -0.038 0.000 1.261 479 P CA 0.987 64.073 63.100 -0.024 0.000 0.800 479 P CB 1.337 33.026 31.700 -0.019 0.000 1.066 480 G N 0.032 108.812 108.800 -0.033 0.000 2.182 480 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.248 480 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.248 480 G C -0.156 174.678 174.900 -0.111 0.000 1.042 480 G CA -0.129 44.936 45.100 -0.058 0.000 0.775 480 G HN 0.489 nan 8.290 nan 0.000 0.501 481 I N 0.516 120.996 120.570 -0.150 0.000 2.389 481 I HA 0.291 4.461 4.170 -0.000 0.000 0.288 481 I C -0.704 175.149 176.117 -0.440 0.000 0.999 481 I CA -0.813 60.267 61.300 -0.366 0.000 1.129 481 I CB 1.794 39.464 38.000 -0.549 0.000 1.288 481 I HN 0.017 nan 8.210 nan 0.000 0.444 482 D N 6.462 126.632 120.400 -0.383 0.000 2.467 482 D HA 0.205 4.845 4.640 -0.000 0.000 0.220 482 D C 0.625 176.760 176.300 -0.276 0.000 1.103 482 D CA -0.298 53.569 54.000 -0.222 0.000 0.886 482 D CB 0.556 41.286 40.800 -0.117 0.000 1.025 482 D HN 0.298 nan 8.370 nan 0.000 0.514 483 F N 1.971 121.929 119.950 0.013 0.000 2.293 483 F HA -0.013 4.514 4.527 -0.000 0.000 0.300 483 F C 2.375 178.186 175.800 0.017 0.000 1.086 483 F CA 0.565 58.577 58.000 0.020 0.000 1.375 483 F CB -0.007 39.013 39.000 0.033 0.000 1.045 483 F HN 0.232 nan 8.300 nan 0.000 0.516 484 R N 0.192 120.786 120.500 0.157 0.000 2.092 484 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 484 R C 2.487 178.814 176.300 0.044 0.000 1.119 484 R CA 1.152 57.310 56.100 0.098 0.000 0.970 484 R CB -0.698 29.647 30.300 0.075 0.000 0.864 484 R HN 0.267 nan 8.270 nan 0.000 0.440 485 A N 0.987 123.808 122.820 0.002 0.000 1.902 485 A HA -0.122 4.197 4.320 -0.000 0.000 0.217 485 A C 2.125 179.678 177.584 -0.052 0.000 1.181 485 A CA 1.141 53.156 52.037 -0.036 0.000 0.623 485 A CB -0.546 18.415 19.000 -0.066 0.000 0.818 485 A HN 0.183 nan 8.150 nan 0.000 0.443 486 L N -0.807 120.386 121.223 -0.052 0.000 2.046 486 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 486 L C 3.120 180.007 176.870 0.027 0.000 1.077 486 L CA 1.093 55.909 54.840 -0.039 0.000 0.747 486 L CB -0.607 41.449 42.059 -0.006 0.000 0.896 486 L HN 0.454 nan 8.230 nan 0.000 0.432 487 A N 0.155 123.018 122.820 0.071 0.000 1.902 487 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 487 A C 2.410 180.035 177.584 0.069 0.000 1.181 487 A CA 2.032 54.123 52.037 0.089 0.000 0.623 487 A CB -0.476 18.577 19.000 0.089 0.000 0.818 487 A HN 0.348 nan 8.150 nan 0.000 0.443 488 K N -0.552 119.865 120.400 0.028 0.000 2.057 488 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 488 K C 2.028 178.615 176.600 -0.022 0.000 1.049 488 K CA 1.420 57.713 56.287 0.010 0.000 0.931 488 K CB -0.595 31.901 32.500 -0.006 0.000 0.714 488 K HN 0.376 nan 8.250 nan 0.000 0.440 489 G N -0.134 108.606 108.800 -0.100 0.000 2.469 489 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 489 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 489 G C 0.863 175.600 174.900 -0.272 0.000 1.136 489 G CA 0.955 45.903 45.100 -0.254 0.000 0.759 489 G HN 0.450 nan 8.290 nan 0.000 0.562 490 Y N 0.110 120.467 120.300 0.096 0.000 2.571 490 Y HA 0.375 4.925 4.550 -0.000 0.000 0.275 490 Y C 1.767 177.745 175.900 0.130 0.000 1.179 490 Y CA -0.206 58.009 58.100 0.191 0.000 1.242 490 Y CB 0.624 39.200 38.460 0.194 0.000 1.126 490 Y HN 0.271 nan 8.280 nan 0.000 0.524 491 G N 0.887 109.790 108.800 0.171 0.000 2.198 491 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 491 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 491 G C -0.508 174.430 174.900 0.065 0.000 1.042 491 G CA 0.182 45.336 45.100 0.089 0.000 0.791 491 G HN 0.148 nan 8.290 nan 0.000 0.502 492 V N 0.512 120.477 119.914 0.085 0.000 2.417 492 V HA 0.409 4.529 4.120 -0.000 0.000 0.291 492 V C 0.823 176.962 176.094 0.076 0.000 1.024 492 V CA -0.746 61.602 62.300 0.080 0.000 0.861 492 V CB 1.878 33.753 31.823 0.088 0.000 0.985 492 V HN 0.523 nan 8.190 nan 0.000 0.436 493 Q N 2.597 122.440 119.800 0.072 0.000 2.283 493 Q HA 0.370 4.710 4.340 -0.000 0.000 0.301 493 Q C -0.163 175.885 176.000 0.079 0.000 1.063 493 Q CA 0.190 56.031 55.803 0.064 0.000 0.952 493 Q CB 0.759 29.531 28.738 0.057 0.000 1.166 493 Q HN 0.942 nan 8.270 nan 0.000 0.381 494 A N 4.903 127.764 122.820 0.068 0.000 2.374 494 A HA 0.805 5.124 4.320 -0.000 0.000 0.317 494 A C -1.319 176.305 177.584 0.065 0.000 1.094 494 A CA -0.705 51.379 52.037 0.078 0.000 0.765 494 A CB 1.155 20.203 19.000 0.079 0.000 1.268 494 A HN 0.739 nan 8.150 nan 0.000 0.438 495 L N 0.479 121.744 121.223 0.070 0.000 2.376 495 L HA 0.674 5.014 4.340 -0.000 0.000 0.258 495 L C -0.545 176.359 176.870 0.057 0.000 1.013 495 L CA -1.025 53.848 54.840 0.055 0.000 0.822 495 L CB 2.533 44.620 42.059 0.048 0.000 1.388 495 L HN 0.721 nan 8.230 nan 0.000 0.413 496 K N 1.194 121.621 120.400 0.045 0.000 2.316 496 K HA 0.837 5.157 4.320 -0.000 0.000 0.251 496 K C -1.348 175.269 176.600 0.029 0.000 0.934 496 K CA -0.301 56.012 56.287 0.043 0.000 0.802 496 K CB 2.197 34.722 32.500 0.043 0.000 1.171 496 K HN 0.633 nan 8.250 nan 0.000 0.426 497 A N 3.644 126.478 122.820 0.023 0.000 2.522 497 A HA 0.333 4.653 4.320 -0.000 0.000 0.285 497 A C -0.813 176.774 177.584 0.005 0.000 1.198 497 A CA -0.613 51.430 52.037 0.011 0.000 0.742 497 A CB 0.493 19.495 19.000 0.005 0.000 1.176 497 A HN 0.835 nan 8.150 nan 0.000 0.444 498 D N 1.027 121.430 120.400 0.006 0.000 2.350 498 D HA 0.055 4.695 4.640 -0.000 0.000 0.213 498 D C 0.089 176.384 176.300 -0.008 0.000 1.031 498 D CA 0.898 54.898 54.000 0.000 0.000 0.861 498 D CB 0.431 41.235 40.800 0.006 0.000 0.926 498 D HN 0.789 nan 8.370 nan 0.000 0.520 499 N N -1.135 117.562 118.700 -0.005 0.000 2.934 499 N HA 0.062 4.802 4.740 -0.000 0.000 0.253 499 N C 0.286 175.794 175.510 -0.003 0.000 1.466 499 N CA -0.741 52.306 53.050 -0.006 0.000 0.858 499 N CB 1.082 39.569 38.487 0.000 0.000 1.459 499 N HN -0.250 nan 8.380 nan 0.000 0.532 500 L N 0.027 121.252 121.223 0.002 0.000 2.013 500 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 500 L C 1.687 178.561 176.870 0.008 0.000 1.073 500 L CA 2.055 56.898 54.840 0.006 0.000 0.753 500 L CB -0.914 41.154 42.059 0.014 0.000 0.890 500 L HN 0.658 nan 8.230 nan 0.000 0.432 501 E N -0.394 119.812 120.200 0.009 0.000 2.077 501 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 501 E C 2.206 178.812 176.600 0.009 0.000 0.989 501 E CA 1.370 57.776 56.400 0.010 0.000 0.800 501 E CB -0.266 29.441 29.700 0.010 0.000 0.746 501 E HN 0.686 nan 8.360 nan 0.000 0.452 502 Q N 0.037 119.842 119.800 0.008 0.000 2.119 502 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 502 Q C 2.269 178.275 176.000 0.009 0.000 0.972 502 Q CA 0.731 56.540 55.803 0.010 0.000 0.847 502 Q CB -0.148 28.596 28.738 0.009 0.000 0.903 502 Q HN 0.123 nan 8.270 nan 0.000 0.433 503 L N 1.397 122.624 121.223 0.005 0.000 1.989 503 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 503 L C 1.865 178.741 176.870 0.009 0.000 1.071 503 L CA 1.926 56.767 54.840 0.003 0.000 0.749 503 L CB -0.325 41.730 42.059 -0.007 0.000 0.890 503 L HN -0.003 nan 8.230 nan 0.000 0.431 504 K N -0.646 119.760 120.400 0.010 0.000 2.044 504 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 504 K C 2.008 178.616 176.600 0.014 0.000 1.049 504 K CA 1.407 57.702 56.287 0.014 0.000 0.927 504 K CB -0.871 31.637 32.500 0.014 0.000 0.713 504 K HN 0.582 nan 8.250 nan 0.000 0.443 505 G N 0.745 109.553 108.800 0.013 0.000 2.421 505 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 505 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 505 G C 1.555 176.465 174.900 0.016 0.000 1.171 505 G CA 1.047 46.155 45.100 0.014 0.000 0.775 505 G HN 0.203 nan 8.290 nan 0.000 0.543 506 S N 0.513 116.224 115.700 0.017 0.000 2.356 506 S HA -0.030 4.440 4.470 -0.000 0.000 0.223 506 S C 2.309 176.922 174.600 0.022 0.000 1.032 506 S CA 0.916 59.129 58.200 0.022 0.000 1.005 506 S CB -0.343 62.871 63.200 0.024 0.000 0.867 506 S HN 0.293 nan 8.310 nan 0.000 0.449 507 L N 1.298 122.533 121.223 0.020 0.000 2.012 507 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 507 L C 2.903 179.782 176.870 0.016 0.000 1.073 507 L CA 1.647 56.498 54.840 0.020 0.000 0.748 507 L CB -0.531 41.542 42.059 0.023 0.000 0.891 507 L HN 0.415 nan 8.230 nan 0.000 0.431 508 Q N -0.012 119.796 119.800 0.015 0.000 2.096 508 Q HA -0.293 4.047 4.340 -0.000 0.000 0.204 508 Q C 2.126 178.132 176.000 0.011 0.000 0.982 508 Q CA 2.062 57.872 55.803 0.012 0.000 0.850 508 Q CB -0.024 28.721 28.738 0.012 0.000 0.901 508 Q HN 0.469 nan 8.270 nan 0.000 0.422 509 E N -0.695 119.513 120.200 0.014 0.000 2.072 509 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 509 E C 1.841 178.449 176.600 0.015 0.000 0.985 509 E CA 0.867 57.275 56.400 0.014 0.000 0.801 509 E CB -0.135 29.576 29.700 0.018 0.000 0.750 509 E HN 0.475 nan 8.360 nan 0.000 0.452 510 A N 1.059 123.889 122.820 0.018 0.000 1.858 510 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 510 A C 2.078 179.664 177.584 0.004 0.000 1.190 510 A CA 1.094 53.141 52.037 0.017 0.000 0.617 510 A CB -0.682 18.330 19.000 0.021 0.000 0.827 510 A HN 0.285 nan 8.150 nan 0.000 0.443 511 L N 0.840 122.062 121.223 -0.001 0.000 2.013 511 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 511 L C 2.887 179.751 176.870 -0.009 0.000 1.073 511 L CA 2.630 57.463 54.840 -0.011 0.000 0.753 511 L CB -1.066 40.989 42.059 -0.007 0.000 0.890 511 L HN 0.625 nan 8.230 nan 0.000 0.432 512 S N -1.573 114.126 115.700 -0.002 0.000 2.527 512 S HA 0.252 4.722 4.470 -0.000 0.000 0.222 512 S C 1.103 175.704 174.600 0.001 0.000 0.985 512 S CA 0.082 58.281 58.200 -0.001 0.000 0.921 512 S CB -0.451 62.750 63.200 0.002 0.000 0.772 512 S HN 0.301 nan 8.310 nan 0.000 0.529 513 A N 2.065 124.887 122.820 0.005 0.000 2.483 513 A HA 0.374 4.694 4.320 -0.000 0.000 0.238 513 A C 1.146 178.733 177.584 0.005 0.000 1.070 513 A CA -0.369 51.673 52.037 0.009 0.000 0.770 513 A CB 0.320 19.330 19.000 0.017 0.000 1.008 513 A HN 0.245 nan 8.150 nan 0.000 0.497 514 K N 1.320 121.723 120.400 0.007 0.000 2.400 514 K HA 0.103 4.423 4.320 -0.000 0.000 0.194 514 K C 0.928 177.532 176.600 0.008 0.000 1.033 514 K CA 0.955 57.244 56.287 0.004 0.000 1.021 514 K CB 0.164 32.666 32.500 0.003 0.000 0.808 514 K HN 0.759 nan 8.250 nan 0.000 0.505 515 G N 1.979 110.788 108.800 0.015 0.000 3.140 515 G HA2 0.410 4.370 3.960 -0.000 0.000 0.271 515 G HA3 0.410 4.370 3.960 -0.000 0.000 0.271 515 G C -2.909 172.018 174.900 0.043 0.000 1.370 515 G CA -1.302 43.812 45.100 0.024 0.000 1.014 515 G HN -0.205 nan 8.290 nan 0.000 0.541 516 P HA 0.366 nan 4.420 nan 0.000 0.272 516 P C -0.851 176.544 177.300 0.157 0.000 1.223 516 P CA -0.108 63.078 63.100 0.142 0.000 0.784 516 P CB 1.681 33.529 31.700 0.247 0.000 0.923 517 V N 3.404 123.434 119.914 0.193 0.000 2.808 517 V HA 0.373 4.493 4.120 -0.000 0.000 0.308 517 V C -0.102 176.156 176.094 0.273 0.000 1.099 517 V CA -0.759 61.646 62.300 0.176 0.000 0.920 517 V CB 2.209 34.088 31.823 0.094 0.000 1.014 517 V HN 0.476 nan 8.190 nan 0.000 0.425 518 L N 5.466 126.827 121.223 0.230 0.000 2.341 518 L HA 0.718 5.058 4.340 -0.000 0.000 0.278 518 L C -1.172 175.786 176.870 0.146 0.000 1.005 518 L CA -0.387 54.595 54.840 0.236 0.000 0.818 518 L CB 1.364 43.525 42.059 0.171 0.000 1.259 518 L HN 0.615 nan 8.230 nan 0.000 0.418 519 I N 4.573 125.217 120.570 0.123 0.000 2.382 519 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 519 I C -0.346 175.801 176.117 0.050 0.000 1.002 519 I CA -0.448 60.897 61.300 0.076 0.000 1.135 519 I CB 1.835 39.868 38.000 0.055 0.000 1.288 519 I HN 0.618 nan 8.210 nan 0.000 0.448 520 E N 6.382 126.615 120.200 0.056 0.000 2.105 520 E HA 0.353 4.703 4.350 -0.000 0.000 0.285 520 E C -1.249 175.359 176.600 0.015 0.000 1.055 520 E CA -0.493 55.927 56.400 0.034 0.000 0.843 520 E CB 1.173 30.945 29.700 0.121 0.000 1.067 520 E HN 0.357 nan 8.360 nan 0.000 0.398 521 V N 3.898 123.798 119.914 -0.024 0.000 2.394 521 V HA 0.155 4.275 4.120 -0.000 0.000 0.282 521 V C -0.017 176.060 176.094 -0.027 0.000 1.031 521 V CA -0.736 61.548 62.300 -0.027 0.000 0.881 521 V CB 1.652 33.444 31.823 -0.052 0.000 0.982 521 V HN 0.620 nan 8.190 nan 0.000 0.451 522 S N 3.902 119.593 115.700 -0.016 0.000 2.405 522 S HA 0.371 4.841 4.470 -0.000 0.000 0.291 522 S C 0.522 175.099 174.600 -0.040 0.000 1.137 522 S CA -0.504 57.688 58.200 -0.013 0.000 1.061 522 S CB 0.312 63.509 63.200 -0.004 0.000 1.001 522 S HN 0.974 nan 8.310 nan 0.000 0.507 523 T N -0.601 113.929 114.554 -0.041 0.000 2.952 523 T HA 0.669 5.019 4.350 -0.000 0.000 0.286 523 T C 0.311 174.974 174.700 -0.062 0.000 1.024 523 T CA -1.004 61.058 62.100 -0.063 0.000 1.029 523 T CB 0.945 69.782 68.868 -0.052 0.000 1.094 523 T HN 0.397 nan 8.240 nan 0.000 0.515 524 V N -0.676 119.176 119.914 -0.104 0.000 2.649 524 V HA 0.742 4.862 4.120 -0.000 0.000 0.292 524 V C 0.873 176.961 176.094 -0.011 0.000 1.055 524 V CA -0.313 61.933 62.300 -0.091 0.000 1.023 524 V CB -0.523 31.179 31.823 -0.202 0.000 0.992 524 V HN 1.408 nan 8.190 nan 0.000 0.480 525 S N 0.000 115.710 115.700 0.016 0.000 2.498 525 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 525 S CA 0.000 58.232 58.200 0.053 0.000 1.107 525 S CB 0.000 63.236 63.200 0.060 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517