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 3fzn_1_D DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STV 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 0.000 177.664 177.584 0.134 0.000 1.274 2 A CA 0.000 52.107 52.037 0.117 0.000 0.836 2 A CB 0.000 19.087 19.000 0.146 0.000 0.831 3 S N -0.049 115.744 115.700 0.154 0.000 2.614 3 S HA 0.432 4.902 4.470 -0.000 0.000 0.265 3 S C 1.184 175.929 174.600 0.241 0.000 1.303 3 S CA 0.069 58.381 58.200 0.186 0.000 1.000 3 S CB 0.998 64.320 63.200 0.205 0.000 0.935 3 S HN 1.473 nan 8.310 nan 0.000 0.551 4 V N 1.697 121.761 119.914 0.250 0.000 2.332 4 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 4 V C 2.583 178.963 176.094 0.478 0.000 1.055 4 V CA 2.283 64.751 62.300 0.279 0.000 1.038 4 V CB -1.415 30.493 31.823 0.142 0.000 0.651 4 V HN 1.044 nan 8.190 nan 0.000 0.450 5 H N 0.793 120.160 119.070 0.496 0.000 2.267 5 H HA -0.174 4.382 4.556 -0.000 0.000 0.297 5 H C 2.318 177.868 175.328 0.370 0.000 1.080 5 H CA 2.331 58.689 56.048 0.516 0.000 1.278 5 H CB -0.523 29.460 29.762 0.367 0.000 1.365 5 H HN 0.417 nan 8.280 nan 0.000 0.489 6 G N -0.585 108.486 108.800 0.453 0.000 2.421 6 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 6 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 6 G C 1.828 176.862 174.900 0.223 0.000 1.171 6 G CA 1.400 46.675 45.100 0.290 0.000 0.775 6 G HN 0.459 nan 8.290 nan 0.000 0.543 7 T N 0.924 115.635 114.554 0.262 0.000 2.788 7 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 7 T C 2.618 177.485 174.700 0.278 0.000 1.044 7 T CA 1.787 64.070 62.100 0.306 0.000 1.139 7 T CB -0.448 68.612 68.868 0.320 0.000 0.867 7 T HN 0.301 nan 8.240 nan 0.000 0.454 8 T N 0.801 115.500 114.554 0.242 0.000 2.777 8 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 8 T C 1.627 176.316 174.700 -0.018 0.000 1.040 8 T CA 1.012 63.210 62.100 0.165 0.000 1.141 8 T CB -0.464 68.575 68.868 0.285 0.000 0.868 8 T HN 0.412 nan 8.240 nan 0.000 0.444 9 Y N 1.273 121.511 120.300 -0.104 0.000 2.293 9 Y HA -0.042 4.508 4.550 -0.000 0.000 0.291 9 Y C 2.584 178.409 175.900 -0.124 0.000 1.137 9 Y CA 1.000 58.934 58.100 -0.276 0.000 1.202 9 Y CB -0.196 37.943 38.460 -0.536 0.000 0.990 9 Y HN 0.182 nan 8.280 nan 0.000 0.537 10 E N 0.381 120.575 120.200 -0.009 0.000 2.072 10 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 10 E C 2.037 178.440 176.600 -0.328 0.000 0.985 10 E CA 0.855 57.110 56.400 -0.241 0.000 0.801 10 E CB -0.511 28.903 29.700 -0.476 0.000 0.750 10 E HN 0.334 nan 8.360 nan 0.000 0.452 11 L N 0.303 121.448 121.223 -0.130 0.000 2.012 11 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 11 L C 2.132 179.039 176.870 0.061 0.000 1.073 11 L CA 1.754 56.658 54.840 0.106 0.000 0.748 11 L CB -0.623 41.608 42.059 0.288 0.000 0.891 11 L HN 0.277 nan 8.230 nan 0.000 0.431 12 L N -0.368 120.888 121.223 0.054 0.000 1.989 12 L HA -0.251 4.089 4.340 -0.000 0.000 0.211 12 L C 2.889 179.822 176.870 0.105 0.000 1.071 12 L CA 2.105 56.995 54.840 0.082 0.000 0.749 12 L CB -0.756 41.334 42.059 0.051 0.000 0.890 12 L HN 0.422 nan 8.230 nan 0.000 0.431 13 R N -0.290 120.300 120.500 0.149 0.000 2.096 13 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 13 R C 2.250 178.529 176.300 -0.035 0.000 1.127 13 R CA 0.915 57.022 56.100 0.011 0.000 0.968 13 R CB -0.467 29.855 30.300 0.036 0.000 0.861 13 R HN 0.204 nan 8.270 nan 0.000 0.440 14 R N 0.615 121.090 120.500 -0.042 0.000 2.148 14 R HA -0.000 4.340 4.340 -0.000 0.000 0.227 14 R C 1.656 177.964 176.300 0.013 0.000 1.103 14 R CA 0.910 56.993 56.100 -0.028 0.000 0.983 14 R CB -0.096 30.174 30.300 -0.051 0.000 0.874 14 R HN 0.441 nan 8.270 nan 0.000 0.451 15 Q N -0.575 119.237 119.800 0.020 0.000 2.320 15 Q HA 0.125 4.465 4.340 -0.000 0.000 0.201 15 Q C 0.707 176.718 176.000 0.018 0.000 0.910 15 Q CA 0.549 56.365 55.803 0.022 0.000 0.946 15 Q CB 0.904 29.647 28.738 0.007 0.000 1.062 15 Q HN 0.541 nan 8.270 nan 0.000 0.503 16 G N 1.256 110.056 108.800 -0.001 0.000 2.141 16 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.231 16 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.231 16 G C 0.128 175.008 174.900 -0.032 0.000 0.984 16 G CA -0.181 44.910 45.100 -0.016 0.000 0.660 16 G HN 0.324 nan 8.290 nan 0.000 0.525 17 I N 1.539 122.087 120.570 -0.036 0.000 2.395 17 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 17 I C 0.739 176.663 176.117 -0.321 0.000 1.023 17 I CA 0.133 61.411 61.300 -0.036 0.000 1.350 17 I CB 1.326 39.370 38.000 0.073 0.000 1.409 17 I HN 0.255 nan 8.210 nan 0.000 0.507 18 D N 1.500 121.695 120.400 -0.342 0.000 2.538 18 D HA 0.099 4.739 4.640 -0.000 0.000 0.241 18 D C -0.143 175.958 176.300 -0.332 0.000 1.297 18 D CA -0.073 53.492 54.000 -0.724 0.000 0.804 18 D CB 0.514 41.014 40.800 -0.499 0.000 1.122 18 D HN 0.293 nan 8.370 nan 0.000 0.519 19 T N 0.076 114.587 114.554 -0.072 0.000 2.916 19 T HA 0.561 4.911 4.350 -0.000 0.000 0.298 19 T C -0.911 173.794 174.700 0.009 0.000 1.031 19 T CA -0.622 61.411 62.100 -0.111 0.000 0.993 19 T CB 2.536 71.159 68.868 -0.408 0.000 1.045 19 T HN -0.129 nan 8.240 nan 0.000 0.454 20 V N 3.704 123.635 119.914 0.028 0.000 2.409 20 V HA 0.507 4.627 4.120 -0.000 0.000 0.291 20 V C -0.927 174.934 176.094 -0.389 0.000 1.020 20 V CA -0.853 61.551 62.300 0.174 0.000 0.848 20 V CB 0.731 32.900 31.823 0.576 0.000 0.990 20 V HN 0.799 nan 8.190 nan 0.000 0.430 21 F N 3.138 123.045 119.950 -0.071 0.000 2.411 21 F HA 0.790 5.317 4.527 -0.000 0.000 0.350 21 F C 0.913 176.569 175.800 -0.239 0.000 1.114 21 F CA -0.073 57.778 58.000 -0.248 0.000 1.135 21 F CB 1.741 40.646 39.000 -0.158 0.000 1.120 21 F HN 0.620 nan 8.300 nan 0.000 0.495 22 G N 2.318 110.961 108.800 -0.262 0.000 2.646 22 G HA2 0.303 4.262 3.960 -0.000 0.000 0.291 22 G HA3 0.303 4.262 3.960 -0.000 0.000 0.291 22 G C -2.252 172.697 174.900 0.081 0.000 1.445 22 G CA -0.899 44.167 45.100 -0.058 0.000 0.814 22 G HN 0.527 nan 8.290 nan 0.000 0.495 23 N N 1.091 119.896 118.700 0.175 0.000 2.461 23 N HA 0.476 5.216 4.740 -0.000 0.000 0.284 23 N C -2.783 172.827 175.510 0.168 0.000 1.049 23 N CA -1.218 51.932 53.050 0.168 0.000 0.889 23 N CB 3.293 41.839 38.487 0.098 0.000 1.365 23 N HN 0.300 nan 8.380 nan 0.000 0.499 24 P HA 0.510 nan 4.420 nan 0.000 0.278 24 P C -0.308 176.938 177.300 -0.089 0.000 1.266 24 P CA -0.101 63.037 63.100 0.063 0.000 0.807 24 P CB 1.734 33.430 31.700 -0.006 0.000 1.094 25 G N -1.210 107.501 108.800 -0.148 0.000 2.550 25 G HA2 0.356 4.316 3.960 -0.000 0.000 0.293 25 G HA3 0.356 4.316 3.960 -0.000 0.000 0.293 25 G C 0.647 175.437 174.900 -0.183 0.000 1.402 25 G CA 0.090 44.914 45.100 -0.459 0.000 0.784 25 G HN 0.399 nan 8.290 nan 0.000 0.482 26 S N -0.109 115.494 115.700 -0.162 0.000 2.368 26 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 26 S C 1.657 176.202 174.600 -0.092 0.000 1.030 26 S CA 1.734 59.879 58.200 -0.093 0.000 0.999 26 S CB -0.279 62.876 63.200 -0.075 0.000 0.844 26 S HN 0.426 nan 8.310 nan 0.000 0.459 27 N N 1.815 120.601 118.700 0.143 0.000 2.520 27 N HA 0.028 4.768 4.740 -0.000 0.000 0.185 27 N C 0.985 176.644 175.510 0.248 0.000 1.068 27 N CA 0.998 54.163 53.050 0.193 0.000 0.911 27 N CB -0.256 38.416 38.487 0.309 0.000 0.961 27 N HN 0.613 nan 8.380 nan 0.000 0.446 28 E N -0.547 119.770 120.200 0.195 0.000 2.489 28 E HA 0.222 4.572 4.350 -0.000 0.000 0.204 28 E C 1.677 178.355 176.600 0.129 0.000 1.006 28 E CA -0.122 56.404 56.400 0.210 0.000 0.936 28 E CB 0.125 29.959 29.700 0.223 0.000 1.002 28 E HN 0.213 nan 8.360 nan 0.000 0.488 29 L N 0.938 122.183 121.223 0.036 0.000 2.083 29 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 29 L C -0.715 176.166 176.870 0.018 0.000 1.083 29 L CA 1.221 56.053 54.840 -0.015 0.000 0.752 29 L CB -1.110 40.907 42.059 -0.069 0.000 0.899 29 L HN 0.128 nan 8.230 nan 0.000 0.433 30 P HA -0.162 nan 4.420 nan 0.000 0.226 30 P C 1.294 178.635 177.300 0.067 0.000 1.153 30 P CA 1.002 64.198 63.100 0.160 0.000 0.777 30 P CB 0.035 31.973 31.700 0.396 0.000 0.794 31 F N 0.201 119.926 119.950 -0.375 0.000 2.149 31 F HA 0.015 4.542 4.527 -0.000 0.000 0.294 31 F C 1.729 177.467 175.800 -0.103 0.000 1.095 31 F CA 1.298 58.865 58.000 -0.722 0.000 1.276 31 F CB -0.709 37.683 39.000 -1.014 0.000 1.023 31 F HN -0.287 nan 8.300 nan 0.000 0.480 32 L N 0.850 121.981 121.223 -0.154 0.000 2.341 32 L HA -0.032 4.308 4.340 -0.000 0.000 0.214 32 L C 1.104 177.935 176.870 -0.066 0.000 1.115 32 L CA 0.174 54.922 54.840 -0.152 0.000 0.820 32 L CB -0.823 41.135 42.059 -0.168 0.000 0.944 32 L HN 0.048 nan 8.230 nan 0.000 0.452 33 K N -0.023 120.352 120.400 -0.041 0.000 2.380 33 K HA -0.071 4.249 4.320 -0.000 0.000 0.267 33 K C -0.227 176.343 176.600 -0.050 0.000 0.990 33 K CA -0.231 56.021 56.287 -0.058 0.000 0.946 33 K CB 0.284 32.737 32.500 -0.078 0.000 0.937 33 K HN -0.041 nan 8.250 nan 0.000 0.491 34 D N 0.361 120.710 120.400 -0.085 0.000 2.701 34 D HA -0.226 4.414 4.640 -0.000 0.000 0.235 34 D C -0.652 175.569 176.300 -0.132 0.000 1.155 34 D CA 0.846 54.782 54.000 -0.108 0.000 0.649 34 D CB -1.238 39.458 40.800 -0.174 0.000 1.050 34 D HN 0.498 nan 8.370 nan 0.000 0.425 35 F N 0.984 120.765 119.950 -0.282 0.000 2.593 35 F HA 0.126 4.653 4.527 -0.000 0.000 0.393 35 F C -1.386 174.197 175.800 -0.362 0.000 1.037 35 F CA -1.126 56.632 58.000 -0.403 0.000 1.195 35 F CB 0.383 39.216 39.000 -0.278 0.000 1.034 35 F HN -0.109 nan 8.300 nan 0.000 0.552 36 P HA 0.054 nan 4.420 nan 0.000 0.272 36 P C 0.253 177.390 177.300 -0.272 0.000 1.223 36 P CA -0.056 62.728 63.100 -0.527 0.000 0.784 36 P CB 0.581 31.917 31.700 -0.605 0.000 0.923 37 E N 0.930 121.057 120.200 -0.122 0.000 2.268 37 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 37 E C 0.873 177.463 176.600 -0.017 0.000 0.995 37 E CA 0.935 57.311 56.400 -0.040 0.000 0.836 37 E CB -0.031 29.648 29.700 -0.034 0.000 0.763 37 E HN 0.601 nan 8.360 nan 0.000 0.491 38 D N -0.335 120.058 120.400 -0.011 0.000 2.340 38 D HA -0.054 4.586 4.640 -0.000 0.000 0.220 38 D C 0.090 176.318 176.300 -0.120 0.000 1.039 38 D CA 0.061 54.034 54.000 -0.045 0.000 0.866 38 D CB -0.060 40.699 40.800 -0.068 0.000 0.913 38 D HN -0.039 nan 8.370 nan 0.000 0.523 39 F N 1.361 121.171 119.950 -0.234 0.000 2.483 39 F HA 0.457 4.984 4.527 -0.000 0.000 0.329 39 F C 0.896 176.715 175.800 0.032 0.000 1.064 39 F CA -1.146 56.732 58.000 -0.204 0.000 0.986 39 F CB 1.497 40.171 39.000 -0.543 0.000 1.218 39 F HN -0.214 nan 8.300 nan 0.000 0.484 40 R N 0.997 121.675 120.500 0.296 0.000 2.740 40 R HA 0.577 4.917 4.340 -0.000 0.000 0.282 40 R C -2.136 174.375 176.300 0.351 0.000 0.969 40 R CA -0.862 55.428 56.100 0.317 0.000 0.918 40 R CB 1.641 31.984 30.300 0.070 0.000 1.175 40 R HN 0.686 nan 8.270 nan 0.000 0.464 41 Y N 3.149 123.490 120.300 0.068 0.000 2.335 41 Y HA 0.434 4.984 4.550 -0.000 0.000 0.338 41 Y C -0.834 174.935 175.900 -0.217 0.000 0.977 41 Y CA -1.209 56.795 58.100 -0.159 0.000 1.114 41 Y CB 1.420 39.609 38.460 -0.452 0.000 1.182 41 Y HN 0.516 nan 8.280 nan 0.000 0.463 42 I N 8.310 128.472 120.570 -0.679 0.000 2.359 42 I HA 0.170 4.340 4.170 -0.000 0.000 0.284 42 I C -0.717 175.141 176.117 -0.432 0.000 1.018 42 I CA -0.785 60.108 61.300 -0.678 0.000 1.173 42 I CB 0.881 38.435 38.000 -0.744 0.000 1.326 42 I HN 0.519 nan 8.210 nan 0.000 0.462 43 L N 6.672 127.928 121.223 0.055 0.000 2.349 43 L HA 0.697 5.037 4.340 -0.000 0.000 0.275 43 L C 0.099 177.160 176.870 0.318 0.000 1.115 43 L CA 0.349 55.354 54.840 0.274 0.000 0.820 43 L CB 1.070 43.459 42.059 0.550 0.000 1.135 43 L HN 0.715 nan 8.230 nan 0.000 0.445 44 A N 4.852 127.797 122.820 0.208 0.000 2.423 44 A HA 0.586 4.906 4.320 -0.000 0.000 0.304 44 A C 0.320 177.956 177.584 0.086 0.000 1.104 44 A CA -0.649 51.504 52.037 0.192 0.000 0.757 44 A CB 1.118 20.183 19.000 0.110 0.000 1.313 44 A HN 0.847 nan 8.150 nan 0.000 0.423 45 L N -0.298 120.923 121.223 -0.004 0.000 2.492 45 L HA 0.158 4.498 4.340 -0.000 0.000 0.223 45 L C 0.972 177.805 176.870 -0.061 0.000 1.132 45 L CA 0.783 55.552 54.840 -0.118 0.000 0.850 45 L CB 0.026 41.930 42.059 -0.257 0.000 0.966 45 L HN 0.711 nan 8.230 nan 0.000 0.454 46 Q N -0.555 119.232 119.800 -0.022 0.000 2.418 46 Q HA 0.146 4.486 4.340 -0.000 0.000 0.282 46 Q C -0.384 175.629 176.000 0.022 0.000 1.044 46 Q CA -0.302 55.502 55.803 0.002 0.000 0.813 46 Q CB 2.380 31.118 28.738 -0.000 0.000 1.428 46 Q HN -0.012 nan 8.270 nan 0.000 0.402 47 E N 0.784 121.005 120.200 0.035 0.000 2.208 47 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 47 E C 1.495 178.115 176.600 0.033 0.000 0.988 47 E CA 1.288 57.714 56.400 0.043 0.000 0.828 47 E CB 0.043 29.778 29.700 0.057 0.000 0.763 47 E HN 0.651 nan 8.360 nan 0.000 0.478 48 A N 0.356 123.195 122.820 0.032 0.000 1.940 48 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 48 A C 2.244 179.838 177.584 0.017 0.000 1.176 48 A CA 1.496 53.552 52.037 0.032 0.000 0.631 48 A CB -0.930 18.098 19.000 0.047 0.000 0.814 48 A HN 0.430 nan 8.150 nan 0.000 0.446 49 C N -1.501 117.806 119.300 0.011 0.000 2.466 49 C HA 0.006 4.465 4.460 -0.000 0.000 0.278 49 C C 2.660 177.642 174.990 -0.013 0.000 1.288 49 C CA 0.640 59.655 59.018 -0.005 0.000 1.722 49 C CB -1.310 26.428 27.740 -0.004 0.000 2.017 49 C HN 0.446 nan 8.230 nan 0.000 0.488 50 V N 1.270 121.189 119.914 0.009 0.000 2.252 50 V HA -0.232 3.888 4.120 -0.000 0.000 0.249 50 V C 2.487 178.556 176.094 -0.043 0.000 1.056 50 V CA 2.387 64.695 62.300 0.014 0.000 1.022 50 V CB -0.830 31.020 31.823 0.045 0.000 0.641 50 V HN 0.462 nan 8.190 nan 0.000 0.445 51 V N 0.776 120.674 119.914 -0.027 0.000 2.343 51 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 51 V C 2.659 178.704 176.094 -0.081 0.000 1.051 51 V CA 2.104 64.378 62.300 -0.043 0.000 1.036 51 V CB -1.505 30.322 31.823 0.007 0.000 0.654 51 V HN 0.624 nan 8.190 nan 0.000 0.451 52 G N 0.060 108.820 108.800 -0.067 0.000 2.440 52 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 52 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 52 G C 1.576 176.332 174.900 -0.240 0.000 1.154 52 G CA 1.210 46.234 45.100 -0.126 0.000 0.767 52 G HN 0.495 nan 8.290 nan 0.000 0.552 53 I N 1.297 121.730 120.570 -0.229 0.000 2.179 53 I HA -0.161 4.008 4.170 -0.000 0.000 0.242 53 I C 3.306 179.095 176.117 -0.546 0.000 1.088 53 I CA 1.007 62.131 61.300 -0.293 0.000 1.357 53 I CB -0.268 37.634 38.000 -0.164 0.000 1.051 53 I HN 0.244 nan 8.210 nan 0.000 0.409 54 A N 0.237 122.600 122.820 -0.762 0.000 1.933 54 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 54 A C 2.053 179.398 177.584 -0.399 0.000 1.175 54 A CA 2.185 53.604 52.037 -1.030 0.000 0.628 54 A CB -0.618 17.974 19.000 -0.680 0.000 0.814 54 A HN 0.437 nan 8.150 nan 0.000 0.444 55 D N -0.355 119.909 120.400 -0.225 0.000 2.084 55 D HA -0.074 4.566 4.640 -0.000 0.000 0.194 55 D C 2.110 178.359 176.300 -0.085 0.000 0.990 55 D CA 1.736 55.701 54.000 -0.059 0.000 0.826 55 D CB -0.680 40.164 40.800 0.073 0.000 0.971 55 D HN 0.287 nan 8.370 nan 0.000 0.453 56 G N -0.894 107.785 108.800 -0.202 0.000 2.440 56 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.218 56 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.218 56 G C 1.712 176.490 174.900 -0.203 0.000 1.154 56 G CA 1.019 45.942 45.100 -0.296 0.000 0.767 56 G HN 0.389 nan 8.290 nan 0.000 0.552 57 Y N 1.938 122.079 120.300 -0.266 0.000 2.128 57 Y HA -0.072 4.478 4.550 -0.000 0.000 0.284 57 Y C 2.964 178.814 175.900 -0.082 0.000 1.154 57 Y CA 1.689 59.698 58.100 -0.152 0.000 1.149 57 Y CB -0.317 38.060 38.460 -0.138 0.000 0.976 57 Y HN 0.256 nan 8.280 nan 0.000 0.505 58 A N -0.017 122.824 122.820 0.034 0.000 1.902 58 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 58 A C 2.121 179.690 177.584 -0.024 0.000 1.181 58 A CA 1.860 53.908 52.037 0.019 0.000 0.623 58 A CB -0.729 18.309 19.000 0.063 0.000 0.818 58 A HN 0.653 nan 8.150 nan 0.000 0.443 59 Q N -0.778 119.003 119.800 -0.031 0.000 2.050 59 Q HA -0.133 4.206 4.340 -0.000 0.000 0.202 59 Q C 2.439 178.461 176.000 0.037 0.000 0.980 59 Q CA 1.505 57.324 55.803 0.027 0.000 0.840 59 Q CB -0.342 28.411 28.738 0.024 0.000 0.898 59 Q HN 0.685 nan 8.270 nan 0.000 0.424 60 A N 0.949 123.720 122.820 -0.082 0.000 1.929 60 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 60 A C 2.212 179.752 177.584 -0.075 0.000 1.176 60 A CA 1.554 53.577 52.037 -0.023 0.000 0.628 60 A CB -0.435 18.506 19.000 -0.098 0.000 0.816 60 A HN 0.426 nan 8.150 nan 0.000 0.444 61 S N -1.168 114.418 115.700 -0.190 0.000 2.461 61 S HA -0.043 4.427 4.470 -0.000 0.000 0.228 61 S C 0.960 175.505 174.600 -0.093 0.000 1.005 61 S CA 0.669 58.739 58.200 -0.217 0.000 0.942 61 S CB -0.375 62.553 63.200 -0.455 0.000 0.776 61 S HN 0.522 nan 8.310 nan 0.000 0.514 62 R N 0.582 121.057 120.500 -0.042 0.000 3.422 62 R HA -0.113 4.227 4.340 -0.000 0.000 0.267 62 R C -0.886 175.418 176.300 0.006 0.000 1.074 62 R CA 0.950 57.052 56.100 0.003 0.000 0.718 62 R CB -1.975 28.333 30.300 0.013 0.000 1.157 62 R HN 0.573 nan 8.270 nan 0.000 0.440 63 K N -0.505 119.898 120.400 0.006 0.000 2.536 63 K HA 0.419 4.739 4.320 -0.000 0.000 0.269 63 K C -2.699 173.949 176.600 0.079 0.000 0.965 63 K CA -2.088 54.222 56.287 0.038 0.000 0.860 63 K CB 2.387 34.907 32.500 0.033 0.000 1.423 63 K HN -0.241 nan 8.250 nan 0.000 0.438 64 P HA 0.049 nan 4.420 nan 0.000 0.269 64 P C -1.317 176.118 177.300 0.225 0.000 1.209 64 P CA -0.185 63.000 63.100 0.141 0.000 0.776 64 P CB 0.639 32.416 31.700 0.127 0.000 0.876 65 A N 2.566 125.530 122.820 0.241 0.000 2.350 65 A HA 0.649 4.969 4.320 -0.000 0.000 0.324 65 A C -1.339 176.448 177.584 0.339 0.000 1.118 65 A CA -0.577 51.668 52.037 0.348 0.000 0.783 65 A CB 0.676 19.831 19.000 0.257 0.000 1.236 65 A HN 0.472 nan 8.150 nan 0.000 0.457 66 F N 2.202 122.334 119.950 0.303 0.000 2.427 66 F HA 0.750 5.277 4.527 -0.000 0.000 0.346 66 F C -0.677 175.296 175.800 0.288 0.000 1.120 66 F CA -0.755 57.394 58.000 0.249 0.000 1.033 66 F CB 0.969 40.109 39.000 0.233 0.000 1.126 66 F HN 0.423 nan 8.300 nan 0.000 0.462 67 I N 4.764 125.128 120.570 -0.342 0.000 2.608 67 I HA 0.333 4.503 4.170 -0.000 0.000 0.295 67 I C -1.202 174.763 176.117 -0.254 0.000 1.049 67 I CA -0.857 60.379 61.300 -0.107 0.000 1.063 67 I CB 2.278 40.249 38.000 -0.048 0.000 1.248 67 I HN 0.550 nan 8.210 nan 0.000 0.424 68 N N 6.062 124.772 118.700 0.016 0.000 2.461 68 N HA 0.649 5.389 4.740 -0.000 0.000 0.284 68 N C -1.674 173.913 175.510 0.129 0.000 1.049 68 N CA -0.343 52.753 53.050 0.077 0.000 0.889 68 N CB 1.150 39.827 38.487 0.317 0.000 1.365 68 N HN 0.459 nan 8.380 nan 0.000 0.499 69 L N 1.079 122.363 121.223 0.101 0.000 2.279 69 L HA 0.483 4.823 4.340 -0.000 0.000 0.262 69 L C -0.499 176.484 176.870 0.189 0.000 1.019 69 L CA -1.214 53.712 54.840 0.145 0.000 0.823 69 L CB 1.497 43.633 42.059 0.128 0.000 1.358 69 L HN 0.570 nan 8.230 nan 0.000 0.432 70 H N 0.572 119.695 119.070 0.089 0.000 2.787 70 H HA 0.338 4.894 4.556 -0.000 0.000 0.275 70 H C 0.280 175.659 175.328 0.085 0.000 1.183 70 H CA 0.744 56.843 56.048 0.084 0.000 1.290 70 H CB 0.504 30.308 29.762 0.069 0.000 1.438 70 H HN 0.700 nan 8.280 nan 0.000 0.487 71 S N 2.814 118.413 115.700 -0.169 0.000 2.991 71 S HA -0.367 4.103 4.470 -0.000 0.000 0.630 71 S C 1.761 176.336 174.600 -0.041 0.000 3.057 71 S CA 1.487 59.587 58.200 -0.168 0.000 3.520 71 S CB -1.276 61.700 63.200 -0.373 0.000 0.309 71 S HN 1.048 nan 8.310 nan 0.000 1.629 72 A N 0.314 123.106 122.820 -0.047 0.000 1.929 72 A HA 0.339 4.659 4.320 -0.000 0.000 0.216 72 A C 2.608 180.190 177.584 -0.003 0.000 1.176 72 A CA 2.363 54.395 52.037 -0.009 0.000 0.628 72 A CB -1.452 17.536 19.000 -0.019 0.000 0.816 72 A HN 1.685 nan 8.150 nan 0.000 0.444 73 A N -0.310 122.507 122.820 -0.005 0.000 1.877 73 A HA 0.117 4.437 4.320 -0.000 0.000 0.216 73 A C 2.410 180.026 177.584 0.054 0.000 1.186 73 A CA 1.976 54.031 52.037 0.030 0.000 0.620 73 A CB -1.399 17.636 19.000 0.059 0.000 0.822 73 A HN 0.686 nan 8.150 nan 0.000 0.443 74 G N -1.167 107.682 108.800 0.082 0.000 2.404 74 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.215 74 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.215 74 G C 1.588 176.534 174.900 0.078 0.000 1.174 74 G CA 1.653 46.815 45.100 0.103 0.000 0.780 74 G HN 0.426 nan 8.290 nan 0.000 0.537 75 T N 1.065 115.667 114.554 0.079 0.000 2.684 75 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 75 T C 2.482 177.180 174.700 -0.004 0.000 1.036 75 T CA 1.589 63.724 62.100 0.058 0.000 1.148 75 T CB -0.647 68.265 68.868 0.073 0.000 0.863 75 T HN 0.359 nan 8.240 nan 0.000 0.436 76 G N 1.843 110.637 108.800 -0.009 0.000 2.422 76 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 76 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 76 G C 1.624 176.521 174.900 -0.005 0.000 1.146 76 G CA 0.528 45.614 45.100 -0.023 0.000 0.769 76 G HN 0.381 nan 8.290 nan 0.000 0.547 77 N N 1.040 119.749 118.700 0.016 0.000 2.364 77 N HA -0.026 4.714 4.740 -0.000 0.000 0.183 77 N C 1.969 177.493 175.510 0.024 0.000 1.022 77 N CA 1.012 54.077 53.050 0.025 0.000 0.883 77 N CB -0.134 38.376 38.487 0.037 0.000 0.965 77 N HN 0.342 nan 8.380 nan 0.000 0.438 78 A N -0.500 122.332 122.820 0.020 0.000 2.348 78 A HA 0.188 4.508 4.320 -0.000 0.000 0.224 78 A C 1.812 179.397 177.584 0.002 0.000 1.227 78 A CA -0.088 51.961 52.037 0.020 0.000 0.885 78 A CB 0.012 19.031 19.000 0.031 0.000 0.933 78 A HN 0.018 nan 8.150 nan 0.000 0.506 79 M N -0.346 119.243 119.600 -0.018 0.000 2.229 79 M HA -0.069 4.411 4.480 -0.000 0.000 0.264 79 M C 2.152 178.434 176.300 -0.031 0.000 1.063 79 M CA 1.393 56.669 55.300 -0.041 0.000 1.114 79 M CB -1.409 31.152 32.600 -0.065 0.000 1.387 79 M HN 0.494 nan 8.290 nan 0.000 0.420 80 G N -0.001 108.790 108.800 -0.016 0.000 2.418 80 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 80 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 80 G C 1.654 176.550 174.900 -0.007 0.000 1.158 80 G CA 1.100 46.189 45.100 -0.019 0.000 0.771 80 G HN 0.527 nan 8.290 nan 0.000 0.545 81 A N 0.561 123.391 122.820 0.017 0.000 1.940 81 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 81 A C 2.414 180.026 177.584 0.047 0.000 1.176 81 A CA 1.287 53.351 52.037 0.045 0.000 0.631 81 A CB -0.385 18.645 19.000 0.050 0.000 0.814 81 A HN 0.368 nan 8.150 nan 0.000 0.446 82 L N 0.318 121.559 121.223 0.031 0.000 2.141 82 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 82 L C 3.027 179.935 176.870 0.064 0.000 1.094 82 L CA 1.347 56.217 54.840 0.049 0.000 0.763 82 L CB -0.478 41.593 42.059 0.020 0.000 0.908 82 L HN 0.654 nan 8.230 nan 0.000 0.437 83 S N 0.034 115.744 115.700 0.017 0.000 2.359 83 S HA -0.209 4.261 4.470 -0.000 0.000 0.224 83 S C 1.812 176.437 174.600 0.040 0.000 1.035 83 S CA 1.451 59.659 58.200 0.014 0.000 1.018 83 S CB -0.454 62.723 63.200 -0.039 0.000 0.876 83 S HN 0.428 nan 8.310 nan 0.000 0.448 84 N N 2.607 121.299 118.700 -0.014 0.000 2.120 84 N HA 0.034 4.774 4.740 -0.000 0.000 0.188 84 N C 2.072 177.559 175.510 -0.037 0.000 1.024 84 N CA 1.539 54.537 53.050 -0.086 0.000 0.852 84 N CB -1.004 37.374 38.487 -0.180 0.000 1.003 84 N HN 0.645 nan 8.380 nan 0.000 0.424 85 A N 1.271 124.117 122.820 0.043 0.000 1.972 85 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 85 A C 2.053 179.694 177.584 0.094 0.000 1.169 85 A CA 0.955 53.035 52.037 0.071 0.000 0.635 85 A CB -1.009 18.053 19.000 0.103 0.000 0.810 85 A HN 0.588 nan 8.150 nan 0.000 0.446 86 W N 1.134 122.414 121.300 -0.033 0.000 2.355 86 W HA -0.204 4.455 4.660 -0.000 0.000 0.309 86 W C 1.420 177.876 176.519 -0.104 0.000 1.206 86 W CA 2.029 59.356 57.345 -0.030 0.000 1.284 86 W CB -0.446 28.997 29.460 -0.028 0.000 1.145 86 W HN 0.401 nan 8.180 nan 0.000 0.502 87 N N 0.390 119.083 118.700 -0.013 0.000 2.309 87 N HA -0.149 4.591 4.740 -0.000 0.000 0.182 87 N C 1.751 177.059 175.510 -0.336 0.000 1.018 87 N CA 2.044 54.984 53.050 -0.184 0.000 0.876 87 N CB -0.524 37.930 38.487 -0.055 0.000 0.972 87 N HN 0.135 nan 8.380 nan 0.000 0.434 88 S N -1.386 114.176 115.700 -0.229 0.000 2.605 88 S HA 0.084 4.554 4.470 -0.000 0.000 0.217 88 S C -0.156 174.391 174.600 -0.089 0.000 0.958 88 S CA -0.325 57.783 58.200 -0.153 0.000 0.919 88 S CB -0.647 62.518 63.200 -0.059 0.000 0.780 88 S HN 0.404 nan 8.310 nan 0.000 0.507 89 H N 0.770 119.763 119.070 -0.129 0.000 2.713 89 H HA -0.132 4.424 4.556 -0.000 0.000 0.311 89 H C -0.614 174.682 175.328 -0.052 0.000 1.175 89 H CA 0.407 56.370 56.048 -0.142 0.000 1.143 89 H CB -2.114 27.572 29.762 -0.127 0.000 1.434 89 H HN 0.361 nan 8.280 nan 0.000 0.418 90 S N 2.256 117.998 115.700 0.071 0.000 2.499 90 S HA 0.150 4.620 4.470 -0.000 0.000 0.275 90 S C -1.825 172.824 174.600 0.081 0.000 1.257 90 S CA -1.081 57.166 58.200 0.079 0.000 1.050 90 S CB 1.077 64.323 63.200 0.076 0.000 0.937 90 S HN 0.201 nan 8.310 nan 0.000 0.490 91 P HA 0.198 nan 4.420 nan 0.000 0.252 91 P C -1.086 176.272 177.300 0.096 0.000 1.727 91 P CA 0.006 63.155 63.100 0.082 0.000 1.134 91 P CB -0.245 31.498 31.700 0.071 0.000 1.876 92 L N 4.418 125.700 121.223 0.099 0.000 2.313 92 L HA 0.491 4.831 4.340 -0.000 0.000 0.283 92 L C 0.636 177.561 176.870 0.092 0.000 1.013 92 L CA -0.960 53.934 54.840 0.091 0.000 0.816 92 L CB 1.793 43.898 42.059 0.075 0.000 1.236 92 L HN 0.143 nan 8.230 nan 0.000 0.419 93 I N 4.308 124.917 120.570 0.064 0.000 2.310 93 I HA 0.190 4.359 4.170 -0.000 0.000 0.287 93 I C -0.240 175.785 176.117 -0.154 0.000 1.073 93 I CA -0.463 60.848 61.300 0.018 0.000 1.216 93 I CB 1.225 39.283 38.000 0.097 0.000 1.415 93 I HN 0.236 nan 8.210 nan 0.000 0.480 94 V N 5.317 125.202 119.914 -0.048 0.000 2.368 94 V HA 0.276 4.396 4.120 -0.000 0.000 0.266 94 V C 0.634 176.627 176.094 -0.168 0.000 1.045 94 V CA -0.400 61.862 62.300 -0.062 0.000 0.899 94 V CB 1.038 32.950 31.823 0.148 0.000 1.006 94 V HN 0.795 nan 8.190 nan 0.000 0.470 95 T N 2.365 116.735 114.554 -0.306 0.000 2.859 95 T HA 0.867 5.217 4.350 -0.000 0.000 0.281 95 T C -0.371 174.201 174.700 -0.214 0.000 1.005 95 T CA -0.507 61.406 62.100 -0.312 0.000 1.025 95 T CB 1.992 70.667 68.868 -0.322 0.000 0.977 95 T HN 0.983 nan 8.240 nan 0.000 0.458 96 A N 1.753 124.425 122.820 -0.246 0.000 2.398 96 A HA 0.835 5.155 4.320 -0.000 0.000 0.301 96 A C 0.267 177.834 177.584 -0.028 0.000 1.041 96 A CA -0.695 51.289 52.037 -0.088 0.000 0.711 96 A CB 1.307 20.290 19.000 -0.027 0.000 1.240 96 A HN 1.333 nan 8.150 nan 0.000 0.420 97 G N 0.490 109.339 108.800 0.081 0.000 2.403 97 G HA2 0.482 4.441 3.960 -0.000 0.000 0.259 97 G HA3 0.482 4.441 3.960 -0.000 0.000 0.259 97 G C -0.204 174.757 174.900 0.102 0.000 1.244 97 G CA -0.036 45.159 45.100 0.159 0.000 0.849 97 G HN 0.862 nan 8.290 nan 0.000 0.532 98 Q N 0.413 120.286 119.800 0.122 0.000 2.297 98 Q HA 0.346 4.686 4.340 -0.000 0.000 0.269 98 Q C 0.261 176.351 176.000 0.149 0.000 1.051 98 Q CA -0.684 55.161 55.803 0.070 0.000 0.869 98 Q CB 1.114 29.851 28.738 -0.001 0.000 1.346 98 Q HN 0.491 nan 8.270 nan 0.000 0.457 99 Q N 0.381 120.236 119.800 0.091 0.000 2.524 99 Q HA 0.065 4.405 4.340 -0.000 0.000 0.246 99 Q C -0.439 175.467 176.000 -0.157 0.000 1.063 99 Q CA 0.323 56.180 55.803 0.090 0.000 0.945 99 Q CB 0.586 29.354 28.738 0.051 0.000 1.292 99 Q HN 0.839 nan 8.270 nan 0.000 0.518 100 T N 0.603 114.884 114.554 -0.456 0.000 2.932 100 T HA -0.006 4.344 4.350 -0.000 0.000 0.312 100 T C 1.386 175.930 174.700 -0.259 0.000 1.071 100 T CA 0.115 61.854 62.100 -0.601 0.000 1.128 100 T CB 0.382 68.832 68.868 -0.697 0.000 0.984 100 T HN 0.482 nan 8.240 nan 0.000 0.549 101 R N 2.954 123.326 120.500 -0.212 0.000 2.117 101 R HA -0.139 4.201 4.340 -0.000 0.000 0.243 101 R C 2.600 178.840 176.300 -0.099 0.000 1.143 101 R CA 1.480 57.501 56.100 -0.133 0.000 0.968 101 R CB -0.606 29.625 30.300 -0.115 0.000 0.863 101 R HN 0.759 nan 8.270 nan 0.000 0.444 102 A N 0.569 123.329 122.820 -0.100 0.000 2.070 102 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 102 A C 1.874 179.429 177.584 -0.048 0.000 1.159 102 A CA 1.321 53.320 52.037 -0.064 0.000 0.656 102 A CB -0.191 18.777 19.000 -0.055 0.000 0.800 102 A HN 0.231 nan 8.150 nan 0.000 0.453 103 M N -1.500 118.068 119.600 -0.054 0.000 2.313 103 M HA 0.286 4.766 4.480 -0.000 0.000 0.273 103 M C 1.315 177.600 176.300 -0.024 0.000 1.049 103 M CA 0.074 55.359 55.300 -0.026 0.000 1.004 103 M CB 0.097 32.694 32.600 -0.005 0.000 1.461 103 M HN 0.279 nan 8.290 nan 0.000 0.514 104 I N 0.819 121.365 120.570 -0.041 0.000 2.163 104 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 104 I C 2.561 178.661 176.117 -0.028 0.000 1.085 104 I CA 1.698 62.977 61.300 -0.036 0.000 1.347 104 I CB -0.722 37.246 38.000 -0.052 0.000 1.044 104 I HN 0.391 nan 8.210 nan 0.000 0.408 105 G N -0.011 108.772 108.800 -0.029 0.000 2.440 105 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 105 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 105 G C 1.678 176.568 174.900 -0.016 0.000 1.154 105 G CA 0.964 46.050 45.100 -0.024 0.000 0.767 105 G HN 0.324 nan 8.290 nan 0.000 0.552 106 V N 0.376 120.283 119.914 -0.012 0.000 3.461 106 V HA 0.141 4.261 4.120 -0.000 0.000 0.267 106 V C 0.679 176.771 176.094 -0.003 0.000 1.186 106 V CA 1.003 63.299 62.300 -0.006 0.000 1.154 106 V CB -0.803 31.018 31.823 -0.002 0.000 0.802 106 V HN 0.648 nan 8.190 nan 0.000 0.474 107 E N -0.009 120.188 120.200 -0.005 0.000 2.246 107 E HA -0.214 4.136 4.350 -0.000 0.000 0.211 107 E C 0.465 177.069 176.600 0.007 0.000 1.278 107 E CA 0.168 56.566 56.400 -0.002 0.000 0.694 107 E CB -1.609 28.088 29.700 -0.005 0.000 1.166 107 E HN 0.769 nan 8.360 nan 0.000 0.370 108 A N 0.735 123.562 122.820 0.013 0.000 2.536 108 A HA 0.213 4.533 4.320 -0.000 0.000 0.234 108 A C 0.551 178.153 177.584 0.030 0.000 1.076 108 A CA -0.109 51.944 52.037 0.026 0.000 0.769 108 A CB 0.333 19.357 19.000 0.039 0.000 1.020 108 A HN 0.381 nan 8.150 nan 0.000 0.508 109 L N 0.977 122.222 121.223 0.037 0.000 2.593 109 L HA 0.047 4.387 4.340 -0.000 0.000 0.287 109 L C 0.866 177.767 176.870 0.052 0.000 1.243 109 L CA 1.471 56.335 54.840 0.041 0.000 0.890 109 L CB -0.301 41.786 42.059 0.047 0.000 1.134 109 L HN 0.730 nan 8.230 nan 0.000 0.502 110 L N 1.687 122.930 121.223 0.034 0.000 4.800 110 L HA -0.228 4.112 4.340 -0.000 0.000 0.412 110 L C 0.290 177.156 176.870 -0.007 0.000 1.063 110 L CA 0.390 55.233 54.840 0.004 0.000 1.114 110 L CB -2.613 39.476 42.059 0.050 0.000 2.089 110 L HN 0.744 nan 8.230 nan 0.000 0.686 111 T N 0.888 115.446 114.554 0.007 0.000 2.834 111 T HA 0.136 4.486 4.350 -0.000 0.000 0.298 111 T C 0.677 175.367 174.700 -0.016 0.000 0.966 111 T CA 0.001 62.100 62.100 -0.002 0.000 1.141 111 T CB 0.897 69.764 68.868 -0.001 0.000 0.905 111 T HN 0.155 nan 8.240 nan 0.000 0.535 112 N N 4.055 122.744 118.700 -0.018 0.000 2.482 112 N HA 0.120 4.859 4.740 -0.000 0.000 0.242 112 N C -0.499 175.003 175.510 -0.014 0.000 1.100 112 N CA -0.272 52.771 53.050 -0.012 0.000 0.946 112 N CB 0.176 38.668 38.487 0.007 0.000 1.227 112 N HN 0.281 nan 8.380 nan 0.000 0.508 113 V N 3.268 123.171 119.914 -0.018 0.000 2.572 113 V HA 0.017 4.137 4.120 -0.000 0.000 0.291 113 V C 0.837 176.914 176.094 -0.028 0.000 1.039 113 V CA -0.184 62.102 62.300 -0.024 0.000 1.055 113 V CB 0.627 32.437 31.823 -0.022 0.000 0.969 113 V HN 0.740 nan 8.190 nan 0.000 0.482 114 D N 3.285 123.665 120.400 -0.035 0.000 2.708 114 D HA -0.245 4.395 4.640 -0.000 0.000 0.236 114 D C 1.311 177.590 176.300 -0.036 0.000 1.146 114 D CA 0.954 54.930 54.000 -0.041 0.000 0.662 114 D CB -0.625 40.151 40.800 -0.040 0.000 1.059 114 D HN 0.820 nan 8.370 nan 0.000 0.428 115 A N 0.237 123.045 122.820 -0.021 0.000 1.948 115 A HA 0.023 4.342 4.320 -0.000 0.000 0.220 115 A C 2.490 180.113 177.584 0.066 0.000 1.177 115 A CA 2.446 54.504 52.037 0.034 0.000 0.636 115 A CB -0.641 18.390 19.000 0.050 0.000 0.815 115 A HN 0.759 nan 8.150 nan 0.000 0.449 116 A N -0.340 122.483 122.820 0.005 0.000 2.067 116 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 116 A C 1.754 179.304 177.584 -0.056 0.000 1.158 116 A CA 1.672 53.706 52.037 -0.005 0.000 0.661 116 A CB -0.486 18.462 19.000 -0.086 0.000 0.801 116 A HN 0.539 nan 8.150 nan 0.000 0.452 117 N N -0.568 118.090 118.700 -0.070 0.000 2.416 117 N HA -0.015 4.725 4.740 -0.000 0.000 0.177 117 N C 1.385 176.818 175.510 -0.130 0.000 1.036 117 N CA 0.564 53.559 53.050 -0.091 0.000 0.901 117 N CB -0.330 38.114 38.487 -0.071 0.000 0.976 117 N HN 0.405 nan 8.380 nan 0.000 0.444 118 L N 2.331 123.464 121.223 -0.150 0.000 1.971 118 L HA -0.063 4.277 4.340 -0.000 0.000 0.215 118 L C -0.986 175.727 176.870 -0.262 0.000 1.072 118 L CA 2.083 56.808 54.840 -0.191 0.000 0.758 118 L CB -1.362 40.589 42.059 -0.179 0.000 0.889 118 L HN 0.141 nan 8.230 nan 0.000 0.433 119 P HA -0.081 nan 4.420 nan 0.000 0.236 119 P C -0.081 177.070 177.300 -0.249 0.000 1.177 119 P CA 0.415 63.291 63.100 -0.373 0.000 0.773 119 P CB -0.104 31.241 31.700 -0.592 0.000 0.878 120 R N 1.920 122.292 120.500 -0.213 0.000 2.679 120 R HA 0.120 4.460 4.340 -0.000 0.000 0.268 120 R C -1.330 174.852 176.300 -0.197 0.000 1.044 120 R CA -0.898 55.088 56.100 -0.190 0.000 1.105 120 R CB -0.363 29.850 30.300 -0.144 0.000 0.989 120 R HN 0.128 nan 8.270 nan 0.000 0.447 121 P HA 0.084 nan 4.420 nan 0.000 0.253 121 P C 0.146 177.105 177.300 -0.568 0.000 1.459 121 P CA 0.388 63.285 63.100 -0.338 0.000 0.908 121 P CB 0.255 31.765 31.700 -0.318 0.000 1.470 122 L N -0.146 120.821 121.223 -0.428 0.000 2.653 122 L HA 0.176 4.516 4.340 -0.000 0.000 0.231 122 L C 0.764 177.547 176.870 -0.145 0.000 1.153 122 L CA -0.263 54.317 54.840 -0.433 0.000 0.933 122 L CB 0.134 42.068 42.059 -0.209 0.000 1.175 122 L HN -0.104 nan 8.230 nan 0.000 0.473 123 V N -5.252 114.595 119.914 -0.111 0.000 3.007 123 V HA 0.376 4.495 4.120 -0.000 0.000 0.311 123 V C 0.597 176.898 176.094 0.345 0.000 1.120 123 V CA -1.036 61.391 62.300 0.212 0.000 0.980 123 V CB 2.165 34.068 31.823 0.134 0.000 1.033 123 V HN 0.032 nan 8.190 nan 0.000 0.429 124 K N 0.862 121.565 120.400 0.505 0.000 2.217 124 K HA 0.109 4.429 4.320 -0.000 0.000 0.202 124 K C -0.265 176.584 176.600 0.416 0.000 1.051 124 K CA 1.585 58.150 56.287 0.464 0.000 0.952 124 K CB 0.175 32.879 32.500 0.340 0.000 0.736 124 K HN 0.743 nan 8.250 nan 0.000 0.453 125 W N -0.242 121.152 121.300 0.156 0.000 3.573 125 W HA 0.307 4.967 4.660 -0.000 0.000 0.306 125 W C -1.744 174.867 176.519 0.154 0.000 1.227 125 W CA -0.640 56.778 57.345 0.121 0.000 1.212 125 W CB 1.839 31.348 29.460 0.081 0.000 1.331 125 W HN -0.332 nan 8.180 nan 0.000 0.524 126 S N 4.880 120.337 115.700 -0.405 0.000 2.614 126 S HA 0.725 5.195 4.470 -0.000 0.000 0.275 126 S C -2.334 171.966 174.600 -0.500 0.000 1.161 126 S CA -0.335 57.698 58.200 -0.278 0.000 0.969 126 S CB 0.751 63.918 63.200 -0.056 0.000 1.059 126 S HN 0.518 nan 8.310 nan 0.000 0.482 127 Y N 2.170 122.100 120.300 -0.618 0.000 2.521 127 Y HA 0.501 5.051 4.550 -0.000 0.000 0.332 127 Y C -1.289 174.419 175.900 -0.320 0.000 1.121 127 Y CA -0.649 57.085 58.100 -0.610 0.000 1.037 127 Y CB 1.658 39.453 38.460 -1.107 0.000 1.330 127 Y HN 0.725 nan 8.280 nan 0.000 0.452 128 E N 6.795 126.589 120.200 -0.678 0.000 2.191 128 E HA 0.503 4.852 4.350 -0.000 0.000 0.263 128 E C -2.776 173.410 176.600 -0.689 0.000 0.881 128 E CA -2.475 53.631 56.400 -0.490 0.000 0.757 128 E CB 1.604 31.118 29.700 -0.309 0.000 1.147 128 E HN 0.304 nan 8.360 nan 0.000 0.414 129 P HA 0.056 nan 4.420 nan 0.000 0.269 129 P C -0.231 176.966 177.300 -0.170 0.000 1.209 129 P CA 0.054 63.049 63.100 -0.176 0.000 0.776 129 P CB 1.079 32.795 31.700 0.025 0.000 0.876 130 A N 1.496 124.267 122.820 -0.081 0.000 2.167 130 A HA 0.178 4.498 4.320 -0.000 0.000 0.214 130 A C 0.734 178.292 177.584 -0.045 0.000 1.151 130 A CA 1.236 53.235 52.037 -0.063 0.000 0.735 130 A CB -0.539 18.455 19.000 -0.011 0.000 0.802 130 A HN 0.642 nan 8.150 nan 0.000 0.467 131 S N -4.084 111.597 115.700 -0.031 0.000 2.588 131 S HA 0.625 5.095 4.470 -0.000 0.000 0.269 131 S C 0.647 175.215 174.600 -0.052 0.000 1.157 131 S CA -0.044 58.133 58.200 -0.038 0.000 0.824 131 S CB 1.098 64.289 63.200 -0.015 0.000 1.126 131 S HN 0.936 nan 8.310 nan 0.000 0.464 132 A N 1.400 124.179 122.820 -0.069 0.000 1.902 132 A HA 0.242 4.562 4.320 -0.000 0.000 0.217 132 A C 2.284 179.835 177.584 -0.055 0.000 1.181 132 A CA 2.044 54.022 52.037 -0.098 0.000 0.623 132 A CB -1.576 17.372 19.000 -0.086 0.000 0.818 132 A HN 1.689 nan 8.150 nan 0.000 0.443 133 A N -0.646 122.166 122.820 -0.014 0.000 2.019 133 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 133 A C 1.937 179.542 177.584 0.036 0.000 1.164 133 A CA 1.614 53.660 52.037 0.016 0.000 0.644 133 A CB -0.436 18.574 19.000 0.017 0.000 0.805 133 A HN 0.670 nan 8.150 nan 0.000 0.449 134 E N -0.073 120.154 120.200 0.045 0.000 2.427 134 E HA -0.033 4.317 4.350 -0.000 0.000 0.196 134 E C 1.534 178.213 176.600 0.131 0.000 1.028 134 E CA 0.619 57.084 56.400 0.109 0.000 0.864 134 E CB -0.059 29.726 29.700 0.141 0.000 0.813 134 E HN 0.371 nan 8.360 nan 0.000 0.514 135 V N 1.644 121.582 119.914 0.040 0.000 2.287 135 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 135 V C -0.764 175.381 176.094 0.086 0.000 1.053 135 V CA 2.080 64.380 62.300 0.001 0.000 1.027 135 V CB -1.298 30.396 31.823 -0.215 0.000 0.646 135 V HN 0.298 nan 8.190 nan 0.000 0.447 136 P HA -0.188 nan 4.420 nan 0.000 0.215 136 P C 1.716 179.118 177.300 0.170 0.000 1.153 136 P CA 1.585 64.783 63.100 0.163 0.000 0.853 136 P CB -0.228 31.578 31.700 0.178 0.000 0.788 137 H N -0.057 119.057 119.070 0.073 0.000 2.352 137 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 137 H C 1.728 177.098 175.328 0.070 0.000 1.097 137 H CA 1.737 57.817 56.048 0.054 0.000 1.311 137 H CB -0.250 29.533 29.762 0.035 0.000 1.377 137 H HN -0.019 nan 8.280 nan 0.000 0.504 138 A N 0.903 123.757 122.820 0.056 0.000 1.933 138 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 138 A C 2.447 180.104 177.584 0.121 0.000 1.175 138 A CA 1.688 53.789 52.037 0.108 0.000 0.628 138 A CB -0.639 18.566 19.000 0.341 0.000 0.814 138 A HN 0.486 nan 8.150 nan 0.000 0.444 139 M N -0.245 119.429 119.600 0.122 0.000 2.117 139 M HA -0.071 4.409 4.480 -0.000 0.000 0.262 139 M C 2.279 178.612 176.300 0.055 0.000 1.065 139 M CA 2.010 57.391 55.300 0.135 0.000 1.114 139 M CB -0.570 32.132 32.600 0.169 0.000 1.361 139 M HN 0.383 nan 8.290 nan 0.000 0.408 140 S N -0.198 115.510 115.700 0.014 0.000 2.370 140 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 140 S C 2.062 176.617 174.600 -0.076 0.000 1.033 140 S CA 1.602 59.799 58.200 -0.005 0.000 1.011 140 S CB -0.191 63.040 63.200 0.052 0.000 0.852 140 S HN 0.608 nan 8.310 nan 0.000 0.457 141 R N 0.603 120.947 120.500 -0.260 0.000 2.081 141 R HA -0.012 4.328 4.340 -0.000 0.000 0.235 141 R C 2.670 178.697 176.300 -0.456 0.000 1.131 141 R CA 1.338 57.142 56.100 -0.492 0.000 0.960 141 R CB -0.606 29.148 30.300 -0.911 0.000 0.856 141 R HN 0.502 nan 8.270 nan 0.000 0.436 142 A N 1.284 123.984 122.820 -0.200 0.000 1.877 142 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 142 A C 2.169 179.754 177.584 0.001 0.000 1.186 142 A CA 1.254 53.322 52.037 0.052 0.000 0.620 142 A CB -0.516 18.640 19.000 0.261 0.000 0.822 142 A HN 0.180 nan 8.150 nan 0.000 0.443 143 I N -0.986 119.550 120.570 -0.057 0.000 2.163 143 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 143 I C 2.471 178.459 176.117 -0.215 0.000 1.085 143 I CA 1.470 62.688 61.300 -0.136 0.000 1.347 143 I CB -0.498 37.346 38.000 -0.261 0.000 1.044 143 I HN 0.416 nan 8.210 nan 0.000 0.408 144 H N -0.325 118.712 119.070 -0.055 0.000 2.403 144 H HA 0.013 4.569 4.556 -0.000 0.000 0.298 144 H C 2.338 177.613 175.328 -0.088 0.000 1.059 144 H CA 1.041 57.046 56.048 -0.072 0.000 1.363 144 H CB -0.085 29.615 29.762 -0.104 0.000 1.410 144 H HN 0.247 nan 8.280 nan 0.000 0.528 145 M N 0.480 120.051 119.600 -0.050 0.000 2.159 145 M HA -0.053 4.426 4.480 -0.000 0.000 0.263 145 M C 2.522 178.838 176.300 0.027 0.000 1.063 145 M CA 0.942 56.207 55.300 -0.058 0.000 1.110 145 M CB -0.945 31.567 32.600 -0.146 0.000 1.374 145 M HN 0.201 nan 8.290 nan 0.000 0.411 146 A N -0.772 122.077 122.820 0.048 0.000 1.930 146 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 146 A C 2.446 180.058 177.584 0.047 0.000 1.175 146 A CA 1.931 54.011 52.037 0.071 0.000 0.627 146 A CB -0.536 18.516 19.000 0.086 0.000 0.815 146 A HN 0.479 nan 8.150 nan 0.000 0.443 147 S N -0.754 114.968 115.700 0.037 0.000 2.458 147 S HA 0.215 4.685 4.470 -0.000 0.000 0.223 147 S C 0.859 175.477 174.600 0.031 0.000 1.019 147 S CA 0.038 58.262 58.200 0.040 0.000 0.937 147 S CB -0.196 63.034 63.200 0.051 0.000 0.788 147 S HN 0.528 nan 8.310 nan 0.000 0.511 148 M N 1.919 121.535 119.600 0.026 0.000 2.238 148 M HA 0.263 4.743 4.480 -0.000 0.000 0.347 148 M C 0.320 176.599 176.300 -0.036 0.000 1.173 148 M CA -0.388 54.913 55.300 0.001 0.000 1.147 148 M CB 0.378 32.975 32.600 -0.005 0.000 1.547 148 M HN 0.151 nan 8.290 nan 0.000 0.455 149 A N 5.145 127.932 122.820 -0.054 0.000 2.511 149 A HA 0.365 4.685 4.320 -0.000 0.000 0.242 149 A C -2.164 175.351 177.584 -0.116 0.000 1.069 149 A CA -1.079 50.895 52.037 -0.105 0.000 0.763 149 A CB -0.766 18.178 19.000 -0.094 0.000 1.001 149 A HN 0.532 nan 8.150 nan 0.000 0.498 150 P HA 0.133 nan 4.420 nan 0.000 0.276 150 P C -0.527 176.617 177.300 -0.260 0.000 1.243 150 P CA -0.089 62.797 63.100 -0.358 0.000 0.768 150 P CB 0.584 31.972 31.700 -0.520 0.000 0.856 151 Q N 1.156 120.833 119.800 -0.205 0.000 2.474 151 Q HA 0.478 4.818 4.340 -0.000 0.000 0.256 151 Q C 0.711 176.696 176.000 -0.024 0.000 1.048 151 Q CA 0.438 56.202 55.803 -0.065 0.000 0.922 151 Q CB 0.387 29.119 28.738 -0.011 0.000 1.288 151 Q HN 0.743 nan 8.270 nan 0.000 0.484 152 G N 0.908 109.724 108.800 0.026 0.000 2.451 152 G HA2 0.337 4.297 3.960 -0.000 0.000 0.292 152 G HA3 0.337 4.297 3.960 -0.000 0.000 0.292 152 G C -3.102 171.877 174.900 0.131 0.000 1.427 152 G CA -0.922 44.210 45.100 0.052 0.000 0.792 152 G HN 0.356 nan 8.290 nan 0.000 0.498 153 P HA 0.479 nan 4.420 nan 0.000 0.275 153 P C -0.041 177.409 177.300 0.250 0.000 1.228 153 P CA -0.268 62.955 63.100 0.204 0.000 0.786 153 P CB 1.622 33.446 31.700 0.208 0.000 0.927 154 V N 0.302 120.357 119.914 0.235 0.000 3.102 154 V HA 0.664 4.784 4.120 -0.000 0.000 0.312 154 V C -1.653 174.617 176.094 0.292 0.000 1.135 154 V CA -1.078 61.403 62.300 0.302 0.000 1.022 154 V CB 2.258 34.293 31.823 0.353 0.000 1.056 154 V HN 0.472 nan 8.190 nan 0.000 0.436 155 Y N 2.523 122.890 120.300 0.112 0.000 2.373 155 Y HA 0.824 5.374 4.550 -0.000 0.000 0.336 155 Y C -1.356 174.534 175.900 -0.017 0.000 0.979 155 Y CA -1.150 56.960 58.100 0.017 0.000 1.080 155 Y CB 2.032 40.475 38.460 -0.028 0.000 1.190 155 Y HN 0.893 nan 8.280 nan 0.000 0.446 156 L N 5.432 126.419 121.223 -0.394 0.000 2.372 156 L HA 0.582 4.922 4.340 -0.000 0.000 0.274 156 L C -0.965 175.594 176.870 -0.518 0.000 0.988 156 L CA -0.222 54.430 54.840 -0.313 0.000 0.833 156 L CB 1.840 43.872 42.059 -0.045 0.000 1.236 156 L HN 0.578 nan 8.230 nan 0.000 0.410 157 S N 4.268 119.704 115.700 -0.440 0.000 2.457 157 S HA 0.781 5.251 4.470 -0.000 0.000 0.289 157 S C -0.943 173.553 174.600 -0.174 0.000 1.163 157 S CA -0.450 57.557 58.200 -0.322 0.000 1.078 157 S CB 0.779 63.844 63.200 -0.226 0.000 0.987 157 S HN 0.436 nan 8.310 nan 0.000 0.482 158 V N 7.930 127.788 119.914 -0.094 0.000 2.409 158 V HA 0.408 4.528 4.120 -0.000 0.000 0.290 158 V C -2.412 173.670 176.094 -0.020 0.000 1.017 158 V CA -2.028 60.219 62.300 -0.088 0.000 0.841 158 V CB 1.504 33.282 31.823 -0.074 0.000 1.003 158 V HN 0.730 nan 8.190 nan 0.000 0.426 159 P HA -0.017 nan 4.420 nan 0.000 0.262 159 P C 0.312 177.614 177.300 0.003 0.000 1.182 159 P CA 0.124 63.186 63.100 -0.064 0.000 0.761 159 P CB 0.195 31.811 31.700 -0.141 0.000 0.795 160 Y N 3.047 123.416 120.300 0.115 0.000 2.421 160 Y HA -0.157 4.393 4.550 -0.000 0.000 0.292 160 Y C 1.450 177.494 175.900 0.240 0.000 1.136 160 Y CA 1.277 59.538 58.100 0.268 0.000 1.255 160 Y CB -1.237 37.380 38.460 0.261 0.000 0.991 160 Y HN 0.289 nan 8.280 nan 0.000 0.552 161 D N -0.393 119.970 120.400 -0.062 0.000 2.347 161 D HA -0.154 4.485 4.640 -0.000 0.000 0.215 161 D C 0.754 177.059 176.300 0.007 0.000 0.976 161 D CA 0.873 54.868 54.000 -0.008 0.000 0.884 161 D CB -0.384 40.320 40.800 -0.159 0.000 0.915 161 D HN 0.370 nan 8.370 nan 0.000 0.526 162 D N 0.466 120.794 120.400 -0.119 0.000 2.178 162 D HA -0.101 4.539 4.640 -0.000 0.000 0.202 162 D C 1.617 177.831 176.300 -0.142 0.000 0.974 162 D CA 0.638 54.502 54.000 -0.227 0.000 0.841 162 D CB -0.572 39.959 40.800 -0.449 0.000 0.953 162 D HN 0.436 nan 8.370 nan 0.000 0.478 163 W N 1.360 122.767 121.300 0.178 0.000 2.363 163 W HA -0.076 4.584 4.660 -0.000 0.000 0.296 163 W C 1.655 178.296 176.519 0.203 0.000 1.212 163 W CA 0.443 57.932 57.345 0.239 0.000 1.260 163 W CB -0.061 29.603 29.460 0.341 0.000 1.131 163 W HN -0.109 nan 8.180 nan 0.000 0.530 164 D N -0.089 120.509 120.400 0.331 0.000 2.355 164 D HA -0.028 4.612 4.640 -0.000 0.000 0.218 164 D C 0.895 177.281 176.300 0.143 0.000 1.004 164 D CA 0.750 54.877 54.000 0.210 0.000 0.880 164 D CB -0.131 40.766 40.800 0.163 0.000 0.911 164 D HN 0.016 nan 8.370 nan 0.000 0.528 165 K N 1.297 121.768 120.400 0.119 0.000 2.120 165 K HA 0.124 4.443 4.320 -0.000 0.000 0.245 165 K C 0.076 176.728 176.600 0.087 0.000 1.024 165 K CA -0.429 55.903 56.287 0.075 0.000 0.906 165 K CB 0.582 33.102 32.500 0.033 0.000 1.051 165 K HN -0.102 nan 8.250 nan 0.000 0.491 166 D N 0.562 121.002 120.400 0.067 0.000 2.389 166 D HA 0.175 4.815 4.640 -0.000 0.000 0.247 166 D C -0.024 176.320 176.300 0.072 0.000 1.128 166 D CA 0.096 54.139 54.000 0.073 0.000 0.884 166 D CB 0.811 41.645 40.800 0.056 0.000 1.194 166 D HN 0.458 nan 8.370 nan 0.000 0.441 167 A N 1.944 124.820 122.820 0.093 0.000 2.332 167 A HA 0.142 4.462 4.320 -0.000 0.000 0.258 167 A C 0.375 178.002 177.584 0.071 0.000 1.087 167 A CA -0.544 51.549 52.037 0.093 0.000 0.802 167 A CB 0.364 19.443 19.000 0.133 0.000 1.042 167 A HN 0.506 nan 8.150 nan 0.000 0.489 168 D N 1.227 121.661 120.400 0.057 0.000 2.531 168 D HA 0.070 4.710 4.640 -0.000 0.000 0.239 168 D C -1.475 174.856 176.300 0.051 0.000 1.144 168 D CA -1.193 52.831 54.000 0.040 0.000 0.869 168 D CB 0.900 41.711 40.800 0.019 0.000 1.160 168 D HN 0.136 nan 8.370 nan 0.000 0.484 169 P HA -0.087 nan 4.420 nan 0.000 0.222 169 P C 0.842 178.210 177.300 0.114 0.000 1.147 169 P CA 0.792 63.941 63.100 0.082 0.000 0.790 169 P CB 0.285 32.027 31.700 0.070 0.000 0.780 170 Q N -0.960 118.874 119.800 0.056 0.000 2.403 170 Q HA 0.120 4.460 4.340 -0.000 0.000 0.203 170 Q C 1.737 177.648 176.000 -0.148 0.000 0.932 170 Q CA 0.371 56.173 55.803 -0.000 0.000 0.945 170 Q CB -0.408 28.352 28.738 0.037 0.000 1.045 170 Q HN 0.247 nan 8.270 nan 0.000 0.511 171 S N 0.810 116.448 115.700 -0.103 0.000 2.419 171 S HA -0.168 4.302 4.470 -0.000 0.000 0.235 171 S C 1.647 175.923 174.600 -0.541 0.000 1.019 171 S CA 1.279 59.371 58.200 -0.179 0.000 0.982 171 S CB -0.394 62.786 63.200 -0.033 0.000 0.789 171 S HN 0.630 nan 8.310 nan 0.000 0.490 172 H N 0.660 119.361 119.070 -0.615 0.000 2.457 172 H HA -0.098 4.457 4.556 -0.000 0.000 0.297 172 H C 1.465 176.335 175.328 -0.765 0.000 1.092 172 H CA 1.562 56.971 56.048 -1.065 0.000 1.309 172 H CB -0.810 28.652 29.762 -0.500 0.000 1.382 172 H HN 0.515 nan 8.280 nan 0.000 0.535 173 H N 1.000 119.568 119.070 -0.838 0.000 2.518 173 H HA -0.023 4.533 4.556 -0.000 0.000 0.292 173 H C 2.461 177.634 175.328 -0.258 0.000 1.068 173 H CA 1.086 56.862 56.048 -0.452 0.000 1.275 173 H CB 0.218 29.741 29.762 -0.398 0.000 1.375 173 H HN 0.404 nan 8.280 nan 0.000 0.563 174 L N -0.545 120.556 121.223 -0.204 0.000 2.240 174 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 174 L C 2.169 179.103 176.870 0.107 0.000 1.106 174 L CA 0.327 55.151 54.840 -0.027 0.000 0.793 174 L CB -0.409 41.663 42.059 0.021 0.000 0.927 174 L HN 0.055 nan 8.230 nan 0.000 0.446 175 F N 0.515 120.499 119.950 0.057 0.000 2.095 175 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 175 F C 1.866 177.667 175.800 0.002 0.000 1.104 175 F CA 1.059 59.087 58.000 0.045 0.000 1.232 175 F CB -0.632 38.402 39.000 0.057 0.000 0.987 175 F HN 0.124 nan 8.300 nan 0.000 0.475 176 D N -0.436 120.062 120.400 0.165 0.000 2.424 176 D HA 0.066 4.705 4.640 -0.000 0.000 0.220 176 D C 0.309 176.441 176.300 -0.279 0.000 1.150 176 D CA -0.038 53.940 54.000 -0.037 0.000 0.831 176 D CB -0.051 40.777 40.800 0.047 0.000 0.981 176 D HN 0.103 nan 8.370 nan 0.000 0.500 177 R N 0.657 121.087 120.500 -0.117 0.000 2.502 177 R HA 0.127 4.467 4.340 -0.000 0.000 0.292 177 R C -0.348 175.813 176.300 -0.232 0.000 0.998 177 R CA 0.334 56.353 56.100 -0.135 0.000 1.056 177 R CB 0.130 30.395 30.300 -0.057 0.000 0.939 177 R HN 0.152 nan 8.270 nan 0.000 0.411 178 H N 0.534 119.621 119.070 0.029 0.000 2.511 178 H HA 0.323 4.878 4.556 -0.000 0.000 0.328 178 H C -0.727 174.577 175.328 -0.040 0.000 1.044 178 H CA -0.708 55.361 56.048 0.034 0.000 1.212 178 H CB 1.633 31.415 29.762 0.033 0.000 1.428 178 H HN 0.175 nan 8.280 nan 0.000 0.483 179 V N 2.593 122.542 119.914 0.059 0.000 2.444 179 V HA 0.357 4.477 4.120 -0.000 0.000 0.294 179 V C -0.162 175.953 176.094 0.035 0.000 1.022 179 V CA -0.617 61.668 62.300 -0.026 0.000 0.850 179 V CB 1.690 33.414 31.823 -0.164 0.000 0.992 179 V HN 0.765 nan 8.190 nan 0.000 0.426 180 S N 2.674 118.382 115.700 0.014 0.000 2.454 180 S HA 0.519 4.989 4.470 -0.000 0.000 0.306 180 S C 0.548 175.147 174.600 -0.002 0.000 1.100 180 S CA -0.035 58.174 58.200 0.015 0.000 1.087 180 S CB 1.552 64.758 63.200 0.010 0.000 1.019 180 S HN 0.956 nan 8.310 nan 0.000 0.480 181 S N 2.519 118.218 115.700 -0.001 0.000 2.651 181 S HA 0.202 4.671 4.470 -0.000 0.000 0.246 181 S C 0.315 174.907 174.600 -0.014 0.000 1.039 181 S CA -0.438 57.754 58.200 -0.013 0.000 1.013 181 S CB 0.318 63.505 63.200 -0.021 0.000 0.861 181 S HN 0.497 nan 8.310 nan 0.000 0.485 182 S N 2.695 118.390 115.700 -0.008 0.000 4.139 182 S HA 0.416 4.885 4.470 -0.000 0.000 0.215 182 S C 0.189 174.783 174.600 -0.010 0.000 1.390 182 S CA -0.399 57.796 58.200 -0.008 0.000 0.885 182 S CB -1.185 62.013 63.200 -0.003 0.000 1.560 182 S HN 0.640 nan 8.310 nan 0.000 0.449 183 V N 2.556 122.462 119.914 -0.013 0.000 2.815 183 V HA 0.991 5.111 4.120 -0.000 0.000 0.314 183 V C -0.651 175.435 176.094 -0.013 0.000 1.064 183 V CA -1.320 60.972 62.300 -0.014 0.000 0.952 183 V CB 1.864 33.677 31.823 -0.016 0.000 1.020 183 V HN 0.693 nan 8.190 nan 0.000 0.439 184 R N 2.448 122.941 120.500 -0.011 0.000 2.817 184 R HA 0.768 5.108 4.340 -0.000 0.000 0.268 184 R C -0.997 175.298 176.300 -0.009 0.000 1.027 184 R CA -1.057 55.037 56.100 -0.010 0.000 0.928 184 R CB 0.572 30.868 30.300 -0.007 0.000 1.228 184 R HN 0.794 nan 8.270 nan 0.000 0.469 185 L N 2.042 123.260 121.223 -0.009 0.000 2.525 185 L HA 0.155 4.495 4.340 -0.000 0.000 0.278 185 L C -0.391 176.475 176.870 -0.006 0.000 1.218 185 L CA 0.527 55.362 54.840 -0.008 0.000 0.878 185 L CB -0.120 41.935 42.059 -0.007 0.000 1.127 185 L HN 0.921 nan 8.230 nan 0.000 0.492 186 N N 1.902 120.598 118.700 -0.007 0.000 2.374 186 N HA -0.062 4.678 4.740 -0.000 0.000 0.241 186 N C 0.470 175.978 175.510 -0.004 0.000 1.262 186 N CA 0.082 53.129 53.050 -0.005 0.000 0.880 186 N CB 0.254 38.738 38.487 -0.006 0.000 1.105 186 N HN 0.599 nan 8.380 nan 0.000 0.438 187 D N 0.002 120.400 120.400 -0.003 0.000 2.133 187 D HA -0.277 4.363 4.640 -0.000 0.000 0.192 187 D C 1.535 177.834 176.300 -0.001 0.000 1.001 187 D CA 1.524 55.523 54.000 -0.002 0.000 0.844 187 D CB -0.317 40.482 40.800 -0.002 0.000 0.944 187 D HN 0.827 nan 8.370 nan 0.000 0.447 188 Q N 0.211 120.010 119.800 -0.002 0.000 2.050 188 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 188 Q C 1.205 177.205 176.000 -0.001 0.000 0.980 188 Q CA 1.577 57.379 55.803 -0.001 0.000 0.840 188 Q CB 0.136 28.873 28.738 -0.002 0.000 0.898 188 Q HN 0.180 nan 8.270 nan 0.000 0.424 189 D N 0.319 120.717 120.400 -0.002 0.000 2.194 189 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 189 D C 1.898 178.197 176.300 -0.001 0.000 0.964 189 D CA 0.371 54.369 54.000 -0.002 0.000 0.846 189 D CB -0.061 40.736 40.800 -0.004 0.000 0.962 189 D HN 0.217 nan 8.370 nan 0.000 0.490 190 L N 1.312 122.534 121.223 -0.001 0.000 2.046 190 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 190 L C 1.664 178.535 176.870 0.002 0.000 1.077 190 L CA 1.749 56.589 54.840 -0.000 0.000 0.747 190 L CB -0.521 41.537 42.059 -0.000 0.000 0.896 190 L HN -0.165 nan 8.230 nan 0.000 0.432 191 D N -0.792 119.609 120.400 0.002 0.000 2.144 191 D HA -0.207 4.433 4.640 -0.000 0.000 0.199 191 D C 2.186 178.488 176.300 0.004 0.000 0.984 191 D CA 1.442 55.444 54.000 0.003 0.000 0.834 191 D CB -0.081 40.720 40.800 0.002 0.000 0.955 191 D HN 0.481 nan 8.370 nan 0.000 0.465 192 I N -0.157 120.415 120.570 0.003 0.000 2.226 192 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 192 I C 2.231 178.350 176.117 0.004 0.000 1.100 192 I CA 0.450 61.752 61.300 0.003 0.000 1.374 192 I CB -0.223 37.778 38.000 0.002 0.000 1.057 192 I HN 0.160 nan 8.210 nan 0.000 0.413 193 L N 0.497 121.722 121.223 0.003 0.000 2.017 193 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 193 L C 2.394 179.268 176.870 0.008 0.000 1.073 193 L CA 1.760 56.603 54.840 0.005 0.000 0.745 193 L CB -0.530 41.531 42.059 0.003 0.000 0.894 193 L HN -0.035 nan 8.230 nan 0.000 0.432 194 V N -0.113 119.805 119.914 0.007 0.000 2.332 194 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 194 V C 2.627 178.727 176.094 0.011 0.000 1.055 194 V CA 2.144 64.450 62.300 0.010 0.000 1.038 194 V CB -0.685 31.143 31.823 0.009 0.000 0.651 194 V HN 0.475 nan 8.190 nan 0.000 0.450 195 K N 0.095 120.500 120.400 0.009 0.000 2.063 195 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 195 K C 2.298 178.905 176.600 0.012 0.000 1.048 195 K CA 1.527 57.820 56.287 0.010 0.000 0.928 195 K CB -0.439 32.066 32.500 0.008 0.000 0.713 195 K HN 0.490 nan 8.250 nan 0.000 0.442 196 A N 1.247 124.074 122.820 0.011 0.000 1.933 196 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 196 A C 2.100 179.695 177.584 0.018 0.000 1.175 196 A CA 1.273 53.318 52.037 0.014 0.000 0.628 196 A CB -0.554 18.453 19.000 0.012 0.000 0.814 196 A HN 0.152 nan 8.150 nan 0.000 0.444 197 L N -0.514 120.719 121.223 0.018 0.000 2.044 197 L HA -0.162 4.178 4.340 -0.000 0.000 0.205 197 L C 2.274 179.157 176.870 0.023 0.000 1.075 197 L CA 1.111 55.964 54.840 0.022 0.000 0.747 197 L CB -0.668 41.403 42.059 0.020 0.000 0.903 197 L HN 0.302 nan 8.230 nan 0.000 0.435 198 N N -0.012 118.700 118.700 0.019 0.000 2.149 198 N HA -0.166 4.574 4.740 -0.000 0.000 0.188 198 N C 1.927 177.448 175.510 0.020 0.000 1.019 198 N CA 1.792 54.854 53.050 0.019 0.000 0.857 198 N CB -0.259 38.237 38.487 0.016 0.000 0.997 198 N HN 0.383 nan 8.380 nan 0.000 0.426 199 S N -1.040 114.672 115.700 0.019 0.000 2.556 199 S HA 0.403 4.873 4.470 -0.000 0.000 0.216 199 S C 0.745 175.359 174.600 0.023 0.000 0.970 199 S CA -0.398 57.813 58.200 0.019 0.000 0.912 199 S CB 0.082 63.291 63.200 0.015 0.000 0.790 199 S HN 0.305 nan 8.310 nan 0.000 0.504 200 A N 2.119 124.956 122.820 0.028 0.000 2.498 200 A HA 0.504 4.824 4.320 -0.000 0.000 0.239 200 A C 1.393 179.000 177.584 0.038 0.000 1.068 200 A CA 0.130 52.189 52.037 0.036 0.000 0.766 200 A CB 0.225 19.252 19.000 0.045 0.000 1.003 200 A HN 0.619 nan 8.150 nan 0.000 0.497 201 S N 0.942 116.665 115.700 0.039 0.000 2.458 201 S HA 0.034 4.504 4.470 -0.000 0.000 0.223 201 S C 0.664 175.292 174.600 0.048 0.000 1.019 201 S CA 0.828 59.048 58.200 0.034 0.000 0.937 201 S CB -0.076 63.137 63.200 0.022 0.000 0.788 201 S HN 0.761 nan 8.310 nan 0.000 0.511 202 N N 1.968 120.713 118.700 0.075 0.000 2.673 202 N HA 0.363 5.103 4.740 -0.000 0.000 0.265 202 N C -3.275 172.384 175.510 0.248 0.000 1.709 202 N CA -1.675 51.452 53.050 0.128 0.000 0.792 202 N CB 1.270 39.789 38.487 0.053 0.000 1.286 202 N HN 0.151 nan 8.380 nan 0.000 0.506 203 P HA 0.296 nan 4.420 nan 0.000 0.271 203 P C -0.935 176.409 177.300 0.074 0.000 1.218 203 P CA -0.229 62.941 63.100 0.118 0.000 0.780 203 P CB 1.406 33.144 31.700 0.064 0.000 0.901 204 A N 3.078 125.875 122.820 -0.038 0.000 2.413 204 A HA 0.777 5.097 4.320 -0.000 0.000 0.307 204 A C -0.684 176.882 177.584 -0.031 0.000 1.087 204 A CA -0.869 51.084 52.037 -0.139 0.000 0.750 204 A CB 1.113 19.871 19.000 -0.403 0.000 1.296 204 A HN 0.455 nan 8.150 nan 0.000 0.423 205 I N 1.154 121.719 120.570 -0.008 0.000 2.509 205 I HA 0.508 4.678 4.170 -0.000 0.000 0.293 205 I C -1.000 175.143 176.117 0.043 0.000 1.020 205 I CA -0.952 60.346 61.300 -0.004 0.000 1.088 205 I CB 2.191 40.157 38.000 -0.058 0.000 1.267 205 I HN 0.307 nan 8.210 nan 0.000 0.430 206 V N 6.897 126.842 119.914 0.052 0.000 2.487 206 V HA 0.492 4.611 4.120 -0.000 0.000 0.298 206 V C -0.251 175.876 176.094 0.056 0.000 1.028 206 V CA -0.532 61.808 62.300 0.068 0.000 0.860 206 V CB 1.897 33.772 31.823 0.088 0.000 0.991 206 V HN 0.466 nan 8.190 nan 0.000 0.427 207 L N 3.917 125.166 121.223 0.045 0.000 2.334 207 L HA 0.899 5.239 4.340 -0.000 0.000 0.276 207 L C 0.701 177.615 176.870 0.073 0.000 1.014 207 L CA -0.271 54.607 54.840 0.063 0.000 0.815 207 L CB 1.983 44.090 42.059 0.079 0.000 1.268 207 L HN 0.771 nan 8.230 nan 0.000 0.428 208 G N 0.992 109.841 108.800 0.081 0.000 3.016 208 G HA2 0.532 4.492 3.960 -0.000 0.000 0.270 208 G HA3 0.532 4.492 3.960 -0.000 0.000 0.270 208 G C -2.203 172.758 174.900 0.103 0.000 1.352 208 G CA -0.879 44.272 45.100 0.085 0.000 1.060 208 G HN 0.398 nan 8.290 nan 0.000 0.538 209 P HA -0.016 nan 4.420 nan 0.000 0.221 209 P C 0.577 177.949 177.300 0.119 0.000 1.150 209 P CA 0.885 64.061 63.100 0.126 0.000 0.800 209 P CB 0.315 32.089 31.700 0.123 0.000 0.787 210 D N -0.342 120.127 120.400 0.115 0.000 2.310 210 D HA -0.058 4.582 4.640 -0.000 0.000 0.212 210 D C 1.986 178.330 176.300 0.074 0.000 0.965 210 D CA 0.546 54.608 54.000 0.102 0.000 0.879 210 D CB -0.237 40.621 40.800 0.097 0.000 0.921 210 D HN 0.053 nan 8.370 nan 0.000 0.510 211 V N 1.078 121.038 119.914 0.078 0.000 2.307 211 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 211 V C 2.198 178.333 176.094 0.068 0.000 1.045 211 V CA 1.867 64.209 62.300 0.071 0.000 1.024 211 V CB -0.353 31.523 31.823 0.088 0.000 0.651 211 V HN 0.071 nan 8.190 nan 0.000 0.449 212 D N 0.004 120.453 120.400 0.080 0.000 2.117 212 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 212 D C 2.125 178.470 176.300 0.075 0.000 0.982 212 D CA 1.368 55.409 54.000 0.069 0.000 0.828 212 D CB -0.170 40.670 40.800 0.066 0.000 0.967 212 D HN 0.351 nan 8.370 nan 0.000 0.464 213 A N 0.401 123.276 122.820 0.092 0.000 1.940 213 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 213 A C 2.260 179.879 177.584 0.058 0.000 1.176 213 A CA 2.091 54.182 52.037 0.089 0.000 0.631 213 A CB -0.919 18.139 19.000 0.096 0.000 0.814 213 A HN 0.316 nan 8.150 nan 0.000 0.446 214 A N -1.529 121.319 122.820 0.047 0.000 2.206 214 A HA 0.139 4.459 4.320 -0.000 0.000 0.211 214 A C 1.030 178.629 177.584 0.025 0.000 1.158 214 A CA 0.818 52.873 52.037 0.030 0.000 0.761 214 A CB -0.470 18.545 19.000 0.024 0.000 0.801 214 A HN 0.554 nan 8.150 nan 0.000 0.473 215 N N -2.080 116.637 118.700 0.029 0.000 2.727 215 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 215 N C 0.547 176.065 175.510 0.012 0.000 1.048 215 N CA 0.880 53.941 53.050 0.018 0.000 0.714 215 N CB -1.310 37.183 38.487 0.011 0.000 0.959 215 N HN 0.618 nan 8.380 nan 0.000 0.544 216 A N -0.850 121.982 122.820 0.021 0.000 2.307 216 A HA 0.153 4.473 4.320 -0.000 0.000 0.218 216 A C 1.692 179.288 177.584 0.021 0.000 1.228 216 A CA 0.457 52.507 52.037 0.021 0.000 0.857 216 A CB 0.036 19.053 19.000 0.030 0.000 0.897 216 A HN 0.451 nan 8.150 nan 0.000 0.495 217 N N 1.708 120.413 118.700 0.008 0.000 2.043 217 N HA -0.174 4.566 4.740 -0.000 0.000 0.193 217 N C 1.825 177.295 175.510 -0.067 0.000 1.037 217 N CA 1.943 54.985 53.050 -0.014 0.000 0.851 217 N CB -0.452 38.006 38.487 -0.048 0.000 1.027 217 N HN 0.449 nan 8.380 nan 0.000 0.422 218 A N 0.894 123.674 122.820 -0.068 0.000 1.933 218 A HA -0.140 4.179 4.320 -0.000 0.000 0.218 218 A C 1.649 179.205 177.584 -0.047 0.000 1.175 218 A CA 1.595 53.583 52.037 -0.081 0.000 0.628 218 A CB -0.452 18.513 19.000 -0.059 0.000 0.814 218 A HN 0.154 nan 8.150 nan 0.000 0.444 219 D N -0.409 119.982 120.400 -0.015 0.000 2.144 219 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 219 D C 1.996 178.312 176.300 0.027 0.000 0.978 219 D CA 1.342 55.345 54.000 0.005 0.000 0.833 219 D CB -0.504 40.303 40.800 0.010 0.000 0.961 219 D HN 0.454 nan 8.370 nan 0.000 0.470 220 C N 0.369 119.700 119.300 0.051 0.000 2.440 220 C HA -0.056 4.404 4.460 -0.000 0.000 0.278 220 C C 2.941 178.044 174.990 0.188 0.000 1.295 220 C CA 0.019 59.110 59.018 0.123 0.000 1.738 220 C CB -0.777 27.074 27.740 0.185 0.000 1.987 220 C HN 0.165 nan 8.230 nan 0.000 0.492 221 V N 1.025 120.966 119.914 0.045 0.000 2.287 221 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 221 V C 2.473 178.568 176.094 0.002 0.000 1.053 221 V CA 2.502 64.737 62.300 -0.109 0.000 1.027 221 V CB -0.679 30.912 31.823 -0.386 0.000 0.646 221 V HN 0.559 nan 8.190 nan 0.000 0.447 222 M N -0.143 119.463 119.600 0.009 0.000 2.117 222 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 222 M C 1.862 178.190 176.300 0.047 0.000 1.065 222 M CA 1.916 57.234 55.300 0.030 0.000 1.114 222 M CB -0.694 31.916 32.600 0.017 0.000 1.361 222 M HN 0.266 nan 8.290 nan 0.000 0.408 223 L N 0.541 121.795 121.223 0.051 0.000 2.012 223 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 223 L C 2.360 179.265 176.870 0.059 0.000 1.073 223 L CA 2.378 57.249 54.840 0.051 0.000 0.748 223 L CB -1.349 40.739 42.059 0.049 0.000 0.891 223 L HN 0.382 nan 8.230 nan 0.000 0.431 224 A N -1.132 121.736 122.820 0.081 0.000 1.969 224 A HA -0.183 4.136 4.320 -0.000 0.000 0.218 224 A C 2.139 179.783 177.584 0.101 0.000 1.169 224 A CA 1.589 53.670 52.037 0.074 0.000 0.635 224 A CB -0.550 18.497 19.000 0.078 0.000 0.810 224 A HN 0.616 nan 8.150 nan 0.000 0.445 225 E N -0.525 119.749 120.200 0.123 0.000 2.047 225 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 225 E C 2.330 178.978 176.600 0.080 0.000 0.987 225 E CA 0.799 57.276 56.400 0.128 0.000 0.799 225 E CB -0.150 29.632 29.700 0.138 0.000 0.752 225 E HN 0.369 nan 8.360 nan 0.000 0.449 226 R N 0.522 121.059 120.500 0.062 0.000 2.073 226 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 226 R C 2.322 178.647 176.300 0.043 0.000 1.134 226 R CA 0.982 57.109 56.100 0.045 0.000 0.952 226 R CB -0.514 29.808 30.300 0.037 0.000 0.850 226 R HN 0.261 nan 8.270 nan 0.000 0.433 227 L N 1.199 122.448 121.223 0.044 0.000 2.554 227 L HA 0.024 4.364 4.340 -0.000 0.000 0.226 227 L C 0.193 177.089 176.870 0.043 0.000 1.137 227 L CA 0.165 55.028 54.840 0.039 0.000 0.863 227 L CB -0.098 41.982 42.059 0.035 0.000 0.985 227 L HN 0.061 nan 8.230 nan 0.000 0.451 228 K N -0.226 120.204 120.400 0.051 0.000 3.077 228 K HA -0.183 4.137 4.320 -0.000 0.000 0.264 228 K C 0.015 176.640 176.600 0.043 0.000 1.008 228 K CA 0.860 57.178 56.287 0.053 0.000 0.740 228 K CB -2.002 30.525 32.500 0.044 0.000 1.273 228 K HN 0.334 nan 8.250 nan 0.000 0.477 229 A N 1.176 124.015 122.820 0.030 0.000 2.324 229 A HA 0.657 4.977 4.320 -0.000 0.000 0.330 229 A C -2.087 175.454 177.584 -0.070 0.000 1.165 229 A CA -1.492 50.544 52.037 -0.003 0.000 0.813 229 A CB 0.959 19.954 19.000 -0.009 0.000 1.197 229 A HN -0.015 nan 8.150 nan 0.000 0.484 230 P HA 0.298 nan 4.420 nan 0.000 0.271 230 P C -0.766 176.281 177.300 -0.421 0.000 1.218 230 P CA 0.008 62.904 63.100 -0.339 0.000 0.780 230 P CB 1.012 32.433 31.700 -0.466 0.000 0.901 231 V N 3.551 123.108 119.914 -0.595 0.000 2.483 231 V HA 0.361 4.481 4.120 -0.000 0.000 0.297 231 V C -0.144 175.550 176.094 -0.666 0.000 1.027 231 V CA -0.475 61.497 62.300 -0.547 0.000 0.855 231 V CB 1.751 33.069 31.823 -0.841 0.000 0.995 231 V HN 0.614 nan 8.190 nan 0.000 0.424 232 W N 2.714 123.779 121.300 -0.391 0.000 2.647 232 W HA 0.675 5.335 4.660 -0.000 0.000 0.353 232 W C -0.386 175.946 176.519 -0.312 0.000 1.080 232 W CA -0.736 56.340 57.345 -0.447 0.000 1.208 232 W CB 2.152 31.380 29.460 -0.388 0.000 1.396 232 W HN 0.411 nan 8.180 nan 0.000 0.573 233 V N 2.734 122.585 119.914 -0.105 0.000 2.439 233 V HA 0.638 4.758 4.120 -0.000 0.000 0.282 233 V C 0.251 176.234 176.094 -0.184 0.000 1.039 233 V CA -0.428 61.801 62.300 -0.117 0.000 0.913 233 V CB 0.646 32.324 31.823 -0.243 0.000 0.983 233 V HN 0.564 nan 8.190 nan 0.000 0.460 234 A N 9.386 132.140 122.820 -0.110 0.000 2.507 234 A HA 0.484 4.804 4.320 -0.000 0.000 0.235 234 A C -2.129 175.348 177.584 -0.177 0.000 1.070 234 A CA -0.688 51.269 52.037 -0.133 0.000 0.768 234 A CB -0.428 18.588 19.000 0.027 0.000 1.011 234 A HN 0.845 nan 8.150 nan 0.000 0.502 235 P HA 0.096 nan 4.420 nan 0.000 0.270 235 P C -0.042 177.215 177.300 -0.072 0.000 1.223 235 P CA 0.449 63.448 63.100 -0.168 0.000 0.785 235 P CB 0.450 32.063 31.700 -0.144 0.000 0.923 236 S N -1.964 113.702 115.700 -0.057 0.000 3.641 236 S HA -0.176 4.293 4.470 -0.000 0.000 0.346 236 S C 0.624 175.269 174.600 0.076 0.000 1.074 236 S CA 0.707 58.923 58.200 0.026 0.000 1.026 236 S CB -2.237 61.042 63.200 0.131 0.000 0.908 236 S HN 0.932 nan 8.310 nan 0.000 0.479 237 A N 0.884 123.701 122.820 -0.005 0.000 2.537 237 A HA 0.402 4.722 4.320 -0.000 0.000 0.260 237 A C -0.481 177.355 177.584 0.420 0.000 1.082 237 A CA -0.695 51.434 52.037 0.153 0.000 0.765 237 A CB 0.091 19.134 19.000 0.072 0.000 1.019 237 A HN 0.302 nan 8.150 nan 0.000 0.507 238 P HA 0.011 nan 4.420 nan 0.000 0.225 238 P C 0.305 177.834 177.300 0.381 0.000 1.156 238 P CA 1.002 64.328 63.100 0.376 0.000 0.787 238 P CB 0.308 32.112 31.700 0.173 0.000 0.802 239 R N -2.628 118.106 120.500 0.391 0.000 2.817 239 R HA 0.550 4.890 4.340 -0.000 0.000 0.268 239 R C -1.384 175.150 176.300 0.390 0.000 1.027 239 R CA -0.813 55.459 56.100 0.287 0.000 0.928 239 R CB 1.291 31.663 30.300 0.120 0.000 1.228 239 R HN -0.135 nan 8.270 nan 0.000 0.469 240 C N 3.018 122.460 119.300 0.236 0.000 2.251 240 C HA 0.507 4.966 4.460 -0.000 0.000 0.323 240 C C -1.654 173.422 174.990 0.143 0.000 1.241 240 C CA -1.940 57.223 59.018 0.242 0.000 1.601 240 C CB 0.582 28.336 27.740 0.025 0.000 2.251 240 C HN 0.623 nan 8.230 nan 0.000 0.488 241 P HA 0.210 nan 4.420 nan 0.000 0.262 241 P C -0.293 177.128 177.300 0.201 0.000 1.304 241 P CA 0.303 63.499 63.100 0.159 0.000 0.859 241 P CB 0.054 31.859 31.700 0.174 0.000 1.310 242 F N 1.104 121.007 119.950 -0.079 0.000 2.665 242 F HA 0.461 4.988 4.527 -0.000 0.000 0.308 242 F C -2.703 172.897 175.800 -0.334 0.000 1.112 242 F CA -2.381 55.510 58.000 -0.182 0.000 0.972 242 F CB 1.848 40.764 39.000 -0.140 0.000 1.295 242 F HN -0.361 nan 8.300 nan 0.000 0.440 243 P HA 0.111 nan 4.420 nan 0.000 0.266 243 P C 0.448 177.541 177.300 -0.344 0.000 1.215 243 P CA 0.168 63.054 63.100 -0.357 0.000 0.763 243 P CB 0.609 32.117 31.700 -0.320 0.000 0.806 244 T N 0.394 114.722 114.554 -0.375 0.000 3.118 244 T HA 0.007 4.357 4.350 -0.000 0.000 0.260 244 T C 1.037 175.733 174.700 -0.006 0.000 1.139 244 T CA 0.565 62.380 62.100 -0.474 0.000 1.085 244 T CB -0.229 68.510 68.868 -0.215 0.000 0.934 244 T HN 0.172 nan 8.240 nan 0.000 0.518 245 R N 0.441 120.949 120.500 0.014 0.000 2.543 245 R HA 0.234 4.574 4.340 -0.000 0.000 0.323 245 R C 0.303 176.660 176.300 0.097 0.000 1.002 245 R CA -0.392 55.755 56.100 0.078 0.000 1.106 245 R CB -0.542 29.775 30.300 0.029 0.000 1.280 245 R HN 0.581 nan 8.270 nan 0.000 0.549 246 H N 3.131 122.229 119.070 0.047 0.000 2.897 246 H HA 0.033 4.589 4.556 -0.000 0.000 0.347 246 H C -1.391 174.032 175.328 0.157 0.000 1.068 246 H CA -0.969 55.130 56.048 0.086 0.000 1.426 246 H CB 1.568 31.392 29.762 0.104 0.000 1.410 246 H HN -0.161 nan 8.280 nan 0.000 0.597 247 P HA -0.131 nan 4.420 nan 0.000 0.217 247 P C 1.429 178.824 177.300 0.157 0.000 1.148 247 P CA 1.135 64.229 63.100 -0.010 0.000 0.828 247 P CB -0.100 31.521 31.700 -0.131 0.000 0.783 248 C N -2.508 117.055 119.300 0.439 0.000 2.472 248 C HA 0.107 4.567 4.460 -0.000 0.000 0.278 248 C C 1.289 176.295 174.990 0.026 0.000 1.447 248 C CA -0.568 58.580 59.018 0.217 0.000 1.773 248 C CB -2.094 25.789 27.740 0.238 0.000 1.793 248 C HN 0.084 nan 8.230 nan 0.000 0.544 249 F N 1.990 121.950 119.950 0.017 0.000 2.495 249 F HA 0.264 4.791 4.527 -0.000 0.000 0.365 249 F C 1.244 176.865 175.800 -0.298 0.000 1.090 249 F CA -0.053 57.849 58.000 -0.162 0.000 1.235 249 F CB 0.437 39.494 39.000 0.096 0.000 1.119 249 F HN -0.044 nan 8.300 nan 0.000 0.562 250 R N 3.656 123.452 120.500 -1.174 0.000 2.508 250 R HA 0.330 4.670 4.340 -0.000 0.000 0.300 250 R C 0.618 176.296 176.300 -1.036 0.000 0.970 250 R CA 0.365 55.792 56.100 -1.121 0.000 1.102 250 R CB -0.075 29.175 30.300 -1.749 0.000 1.246 250 R HN 0.967 nan 8.270 nan 0.000 0.539 251 G N 1.229 109.089 108.800 -1.565 0.000 2.660 251 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.247 251 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.247 251 G C -1.075 173.453 174.900 -0.621 0.000 1.328 251 G CA -0.534 44.035 45.100 -0.884 0.000 0.884 251 G HN 0.177 nan 8.290 nan 0.000 0.531 252 L N 0.674 121.576 121.223 -0.536 0.000 2.319 252 L HA 0.714 5.054 4.340 -0.000 0.000 0.280 252 L C 1.042 177.699 176.870 -0.354 0.000 1.099 252 L CA -0.199 54.249 54.840 -0.653 0.000 0.828 252 L CB 0.636 42.069 42.059 -1.042 0.000 1.150 252 L HN 0.608 nan 8.230 nan 0.000 0.442 253 M N 7.133 126.544 119.600 -0.315 0.000 2.228 253 M HA 0.268 4.748 4.480 -0.000 0.000 0.351 253 M C -1.965 174.184 176.300 -0.250 0.000 1.233 253 M CA -1.454 53.668 55.300 -0.296 0.000 1.129 253 M CB 0.458 32.806 32.600 -0.420 0.000 1.604 253 M HN 0.478 nan 8.290 nan 0.000 0.457 254 P HA 0.065 nan 4.420 nan 0.000 0.269 254 P C -0.827 176.431 177.300 -0.070 0.000 1.209 254 P CA -0.154 62.872 63.100 -0.123 0.000 0.776 254 P CB 0.524 32.164 31.700 -0.099 0.000 0.876 255 A N 2.609 125.437 122.820 0.014 0.000 3.135 255 A HA 0.528 4.848 4.320 -0.000 0.000 0.253 255 A C 0.658 178.392 177.584 0.249 0.000 1.638 255 A CA 0.108 52.233 52.037 0.147 0.000 1.295 255 A CB -1.228 17.901 19.000 0.215 0.000 1.106 255 A HN 0.582 nan 8.150 nan 0.000 0.648 256 G N -0.643 108.271 108.800 0.191 0.000 2.638 256 G HA2 0.487 4.447 3.960 -0.000 0.000 0.302 256 G HA3 0.487 4.447 3.960 -0.000 0.000 0.302 256 G C 0.547 175.421 174.900 -0.044 0.000 1.365 256 G CA -0.632 44.503 45.100 0.057 0.000 0.987 256 G HN 0.172 nan 8.290 nan 0.000 0.495 257 I N 1.536 121.875 120.570 -0.385 0.000 2.099 257 I HA -0.238 3.932 4.170 -0.000 0.000 0.239 257 I C 3.076 179.087 176.117 -0.177 0.000 1.066 257 I CA 1.987 63.016 61.300 -0.452 0.000 1.324 257 I CB -0.065 37.594 38.000 -0.568 0.000 1.037 257 I HN 0.559 nan 8.210 nan 0.000 0.401 258 A N 0.495 123.193 122.820 -0.203 0.000 1.902 258 A HA -0.148 4.171 4.320 -0.000 0.000 0.217 258 A C 2.521 180.036 177.584 -0.115 0.000 1.181 258 A CA 1.799 53.744 52.037 -0.154 0.000 0.623 258 A CB -0.941 17.957 19.000 -0.170 0.000 0.818 258 A HN 0.454 nan 8.150 nan 0.000 0.443 259 A N -0.092 122.663 122.820 -0.109 0.000 1.908 259 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 259 A C 2.125 179.622 177.584 -0.145 0.000 1.181 259 A CA 1.670 53.642 52.037 -0.109 0.000 0.627 259 A CB -0.573 18.370 19.000 -0.095 0.000 0.818 259 A HN 0.516 nan 8.150 nan 0.000 0.445 260 I N 0.399 120.888 120.570 -0.134 0.000 2.333 260 I HA -0.197 3.973 4.170 -0.000 0.000 0.246 260 I C 2.834 178.847 176.117 -0.174 0.000 1.106 260 I CA 1.348 62.514 61.300 -0.224 0.000 1.411 260 I CB -0.259 37.599 38.000 -0.236 0.000 1.082 260 I HN 0.497 nan 8.210 nan 0.000 0.420 261 S N 0.366 116.026 115.700 -0.065 0.000 2.399 261 S HA -0.279 4.191 4.470 -0.000 0.000 0.231 261 S C 1.934 176.490 174.600 -0.073 0.000 1.022 261 S CA 1.241 59.420 58.200 -0.036 0.000 0.983 261 S CB -0.413 62.785 63.200 -0.003 0.000 0.803 261 S HN 0.362 nan 8.310 nan 0.000 0.480 262 Q N 1.488 121.231 119.800 -0.095 0.000 2.079 262 Q HA 0.160 4.500 4.340 -0.000 0.000 0.200 262 Q C 2.004 177.941 176.000 -0.104 0.000 0.974 262 Q CA 1.429 57.180 55.803 -0.087 0.000 0.840 262 Q CB -0.735 27.954 28.738 -0.082 0.000 0.898 262 Q HN 0.661 nan 8.270 nan 0.000 0.430 263 L N -0.406 120.705 121.223 -0.186 0.000 2.131 263 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 263 L C 1.920 178.634 176.870 -0.259 0.000 1.092 263 L CA 0.843 55.520 54.840 -0.272 0.000 0.759 263 L CB -0.259 41.452 42.059 -0.581 0.000 0.903 263 L HN 0.263 nan 8.230 nan 0.000 0.435 264 L N -0.834 120.255 121.223 -0.224 0.000 2.558 264 L HA 0.032 4.372 4.340 -0.000 0.000 0.225 264 L C 1.090 178.006 176.870 0.077 0.000 1.128 264 L CA -0.198 54.594 54.840 -0.079 0.000 0.868 264 L CB -0.175 41.812 42.059 -0.120 0.000 1.006 264 L HN 0.206 nan 8.230 nan 0.000 0.454 265 E N 0.550 120.756 120.200 0.009 0.000 2.465 265 E HA 0.101 4.450 4.350 -0.000 0.000 0.260 265 E C 1.172 177.742 176.600 -0.050 0.000 0.980 265 E CA 0.894 57.289 56.400 -0.009 0.000 0.927 265 E CB 0.360 30.043 29.700 -0.029 0.000 0.934 265 E HN 0.302 nan 8.360 nan 0.000 0.459 266 G N 3.979 112.740 108.800 -0.064 0.000 2.225 266 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.254 266 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.254 266 G C -0.110 174.668 174.900 -0.203 0.000 0.988 266 G CA 0.169 45.184 45.100 -0.141 0.000 0.625 266 G HN 0.714 nan 8.290 nan 0.000 0.527 267 H N 1.647 120.728 119.070 0.018 0.000 2.604 267 H HA 0.264 4.819 4.556 -0.000 0.000 0.306 267 H C 1.257 176.598 175.328 0.023 0.000 1.075 267 H CA 0.328 56.395 56.048 0.031 0.000 1.357 267 H CB 1.462 31.252 29.762 0.046 0.000 1.426 267 H HN 0.466 nan 8.280 nan 0.000 0.470 268 D N 2.371 122.843 120.400 0.120 0.000 2.183 268 D HA -0.075 4.564 4.640 -0.000 0.000 0.203 268 D C 0.448 176.792 176.300 0.072 0.000 0.969 268 D CA 0.534 54.578 54.000 0.073 0.000 0.842 268 D CB 0.372 41.201 40.800 0.047 0.000 0.957 268 D HN 0.113 nan 8.370 nan 0.000 0.484 269 V N 1.182 121.148 119.914 0.087 0.000 2.525 269 V HA 0.302 4.422 4.120 -0.000 0.000 0.299 269 V C -0.484 175.647 176.094 0.063 0.000 1.034 269 V CA -1.010 61.327 62.300 0.062 0.000 0.863 269 V CB 2.456 34.307 31.823 0.047 0.000 0.999 269 V HN -0.083 nan 8.190 nan 0.000 0.423 270 V N 6.040 125.982 119.914 0.048 0.000 2.347 270 V HA 0.439 4.559 4.120 -0.000 0.000 0.280 270 V C -0.340 175.771 176.094 0.027 0.000 1.021 270 V CA -0.537 61.781 62.300 0.031 0.000 0.847 270 V CB 1.593 33.438 31.823 0.036 0.000 0.990 270 V HN 0.661 nan 8.190 nan 0.000 0.444 271 L N 7.563 128.800 121.223 0.023 0.000 2.265 271 L HA 0.584 4.924 4.340 -0.000 0.000 0.289 271 L C -0.299 176.588 176.870 0.028 0.000 1.033 271 L CA 0.228 55.079 54.840 0.019 0.000 0.814 271 L CB 1.393 43.461 42.059 0.016 0.000 1.203 271 L HN 0.443 nan 8.230 nan 0.000 0.423 272 V N 6.888 126.817 119.914 0.025 0.000 2.394 272 V HA 0.471 4.591 4.120 -0.000 0.000 0.282 272 V C 0.169 176.275 176.094 0.021 0.000 1.031 272 V CA -0.399 61.925 62.300 0.040 0.000 0.881 272 V CB 1.348 33.190 31.823 0.032 0.000 0.982 272 V HN 0.584 nan 8.190 nan 0.000 0.451 273 I N 3.649 124.239 120.570 0.034 0.000 2.418 273 I HA 0.600 4.770 4.170 -0.000 0.000 0.287 273 I C 0.952 177.093 176.117 0.040 0.000 1.008 273 I CA -0.404 60.914 61.300 0.029 0.000 1.104 273 I CB 1.674 39.694 38.000 0.034 0.000 1.264 273 I HN 0.846 nan 8.210 nan 0.000 0.438 274 G N 4.426 113.245 108.800 0.031 0.000 2.176 274 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.252 274 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.252 274 G C -0.056 174.880 174.900 0.061 0.000 1.024 274 G CA 0.192 45.319 45.100 0.046 0.000 0.755 274 G HN 1.011 nan 8.290 nan 0.000 0.507 275 A N -0.632 122.216 122.820 0.046 0.000 2.515 275 A HA 0.974 5.294 4.320 -0.000 0.000 0.296 275 A C -2.664 174.922 177.584 0.003 0.000 1.094 275 A CA -1.423 50.643 52.037 0.049 0.000 0.718 275 A CB 1.855 20.906 19.000 0.085 0.000 1.307 275 A HN 0.119 nan 8.150 nan 0.000 0.408 276 P HA 0.380 nan 4.420 nan 0.000 0.274 276 P C -0.790 176.405 177.300 -0.175 0.000 1.237 276 P CA -0.225 62.832 63.100 -0.071 0.000 0.793 276 P CB 0.781 32.453 31.700 -0.047 0.000 0.977 277 V N 3.173 122.869 119.914 -0.363 0.000 2.275 277 V HA 0.358 4.478 4.120 -0.000 0.000 0.272 277 V C -0.475 175.258 176.094 -0.602 0.000 1.028 277 V CA -0.027 61.752 62.300 -0.869 0.000 0.810 277 V CB -0.842 30.469 31.823 -0.853 0.000 1.043 277 V HN 0.368 nan 8.190 nan 0.000 0.453 278 F N 2.294 121.989 119.950 -0.425 0.000 2.598 278 F HA 0.630 5.156 4.527 -0.000 0.000 0.327 278 F C 0.564 175.992 175.800 -0.621 0.000 1.057 278 F CA -1.419 56.231 58.000 -0.585 0.000 0.957 278 F CB 1.736 40.248 39.000 -0.813 0.000 1.278 278 F HN 0.186 nan 8.300 nan 0.000 0.484 279 R N 1.649 122.065 120.500 -0.139 0.000 3.710 279 R HA 0.233 4.573 4.340 -0.000 0.000 0.201 279 R C -1.241 175.060 176.300 0.002 0.000 1.641 279 R CA -0.137 55.930 56.100 -0.055 0.000 1.390 279 R CB -1.264 29.043 30.300 0.010 0.000 1.341 279 R HN 0.356 nan 8.270 nan 0.000 0.728 280 Y N -0.106 120.305 120.300 0.184 0.000 2.394 280 Y HA 0.047 4.597 4.550 -0.000 0.000 0.351 280 Y C 1.758 177.809 175.900 0.253 0.000 1.272 280 Y CA 0.629 58.847 58.100 0.196 0.000 1.508 280 Y CB 0.355 38.943 38.460 0.214 0.000 1.369 280 Y HN 0.505 nan 8.280 nan 0.000 0.639 281 H N -1.484 117.789 119.070 0.337 0.000 3.170 281 H HA 0.106 4.662 4.556 -0.000 0.000 0.130 281 H C 0.006 175.536 175.328 0.336 0.000 1.146 281 H CA -0.110 56.112 56.048 0.291 0.000 1.068 281 H CB 0.394 30.317 29.762 0.268 0.000 0.980 281 H HN 0.626 nan 8.280 nan 0.000 0.259 282 Q N 1.441 121.454 119.800 0.356 0.000 2.432 282 Q HA -0.082 4.258 4.340 -0.000 0.000 0.264 282 Q C -1.016 175.145 176.000 0.268 0.000 1.035 282 Q CA -0.015 55.944 55.803 0.260 0.000 0.908 282 Q CB 0.618 29.383 28.738 0.046 0.000 1.280 282 Q HN 0.456 nan 8.270 nan 0.000 0.455 283 Y N 1.578 121.929 120.300 0.086 0.000 2.404 283 Y HA 0.214 4.764 4.550 -0.000 0.000 0.344 283 Y C -0.917 174.963 175.900 -0.033 0.000 0.995 283 Y CA -0.926 57.188 58.100 0.024 0.000 1.201 283 Y CB 0.791 39.270 38.460 0.031 0.000 1.151 283 Y HN 0.764 nan 8.280 nan 0.000 0.517 284 D N 8.775 128.946 120.400 -0.382 0.000 2.656 284 D HA 0.263 4.903 4.640 -0.000 0.000 0.303 284 D C -3.024 172.975 176.300 -0.501 0.000 1.199 284 D CA -1.992 51.791 54.000 -0.362 0.000 0.797 284 D CB 0.747 41.434 40.800 -0.188 0.000 1.170 284 D HN 0.234 nan 8.370 nan 0.000 0.509 285 P HA 0.452 nan 4.420 nan 0.000 0.269 285 P C 0.373 177.448 177.300 -0.374 0.000 1.209 285 P CA 0.227 62.947 63.100 -0.633 0.000 0.776 285 P CB 1.740 33.032 31.700 -0.680 0.000 0.876 286 G N 1.620 110.218 108.800 -0.335 0.000 2.356 286 G HA2 0.145 4.105 3.960 -0.000 0.000 0.281 286 G HA3 0.145 4.105 3.960 -0.000 0.000 0.281 286 G C -1.608 173.119 174.900 -0.288 0.000 1.246 286 G CA -0.673 44.274 45.100 -0.255 0.000 0.889 286 G HN 0.458 nan 8.290 nan 0.000 0.486 287 Q N -0.586 119.092 119.800 -0.204 0.000 2.299 287 Q HA 0.424 4.763 4.340 -0.000 0.000 0.246 287 Q C 0.224 176.147 176.000 -0.129 0.000 0.935 287 Q CA -0.584 55.116 55.803 -0.171 0.000 0.887 287 Q CB 1.348 30.042 28.738 -0.073 0.000 1.223 287 Q HN 0.509 nan 8.270 nan 0.000 0.439 288 Y N 0.748 121.054 120.300 0.011 0.000 2.263 288 Y HA 0.020 4.570 4.550 -0.000 0.000 0.292 288 Y C 0.533 176.486 175.900 0.088 0.000 1.130 288 Y CA 0.858 59.000 58.100 0.070 0.000 1.179 288 Y CB 0.433 38.944 38.460 0.086 0.000 0.998 288 Y HN 0.377 nan 8.280 nan 0.000 0.532 289 L N -0.369 120.973 121.223 0.199 0.000 2.472 289 L HA 0.330 4.670 4.340 -0.000 0.000 0.260 289 L C -0.625 176.283 176.870 0.063 0.000 0.963 289 L CA -1.010 53.902 54.840 0.120 0.000 0.829 289 L CB 2.731 44.858 42.059 0.114 0.000 1.348 289 L HN -0.241 nan 8.230 nan 0.000 0.408 290 K N 1.682 122.102 120.400 0.034 0.000 2.107 290 K HA 0.419 4.739 4.320 -0.000 0.000 0.251 290 K C -2.366 174.244 176.600 0.018 0.000 1.012 290 K CA -1.623 54.672 56.287 0.013 0.000 0.920 290 K CB 0.494 32.991 32.500 -0.005 0.000 1.033 290 K HN 0.241 nan 8.250 nan 0.000 0.478 291 P HA -0.036 nan 4.420 nan 0.000 0.262 291 P C 0.349 177.655 177.300 0.010 0.000 1.182 291 P CA 0.780 63.886 63.100 0.010 0.000 0.761 291 P CB 0.408 32.110 31.700 0.003 0.000 0.795 292 G N 1.303 110.111 108.800 0.014 0.000 2.179 292 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.220 292 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.220 292 G C 0.132 175.047 174.900 0.024 0.000 0.990 292 G CA -0.147 44.961 45.100 0.014 0.000 0.646 292 G HN 0.620 nan 8.290 nan 0.000 0.517 293 T N 1.165 115.738 114.554 0.032 0.000 2.779 293 T HA 0.622 4.972 4.350 -0.000 0.000 0.280 293 T C 0.201 174.926 174.700 0.041 0.000 0.987 293 T CA -0.324 61.804 62.100 0.047 0.000 0.966 293 T CB 1.328 70.231 68.868 0.058 0.000 0.933 293 T HN 0.740 nan 8.240 nan 0.000 0.442 294 R N 3.096 123.620 120.500 0.039 0.000 2.589 294 R HA 0.789 5.129 4.340 -0.000 0.000 0.293 294 R C -1.291 175.026 176.300 0.027 0.000 0.963 294 R CA -0.956 55.161 56.100 0.028 0.000 0.905 294 R CB 1.223 31.536 30.300 0.021 0.000 1.144 294 R HN 0.519 nan 8.270 nan 0.000 0.459 295 L N 4.043 125.274 121.223 0.014 0.000 2.329 295 L HA 0.604 4.944 4.340 -0.000 0.000 0.279 295 L C -1.296 175.564 176.870 -0.016 0.000 1.014 295 L CA -0.908 53.934 54.840 0.003 0.000 0.814 295 L CB 1.508 43.561 42.059 -0.009 0.000 1.257 295 L HN 0.726 nan 8.230 nan 0.000 0.424 296 I N 3.843 124.404 120.570 -0.014 0.000 2.478 296 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 296 I C -0.563 175.536 176.117 -0.030 0.000 1.042 296 I CA -0.319 60.968 61.300 -0.021 0.000 1.067 296 I CB 2.058 40.053 38.000 -0.008 0.000 1.233 296 I HN 0.526 nan 8.210 nan 0.000 0.431 297 S N 5.811 121.482 115.700 -0.049 0.000 2.451 297 S HA 0.658 5.128 4.470 -0.000 0.000 0.301 297 S C -0.740 173.836 174.600 -0.039 0.000 1.116 297 S CA -0.468 57.698 58.200 -0.056 0.000 1.093 297 S CB 1.271 64.411 63.200 -0.100 0.000 1.017 297 S HN 0.326 nan 8.310 nan 0.000 0.482 298 V N 4.653 124.552 119.914 -0.025 0.000 2.357 298 V HA 0.623 4.743 4.120 -0.000 0.000 0.284 298 V C 0.370 176.452 176.094 -0.020 0.000 1.018 298 V CA -0.471 61.818 62.300 -0.019 0.000 0.841 298 V CB 1.166 32.984 31.823 -0.008 0.000 0.991 298 V HN 0.952 nan 8.190 nan 0.000 0.437 299 T N 3.164 117.701 114.554 -0.028 0.000 2.900 299 T HA 0.247 4.596 4.350 -0.000 0.000 0.295 299 T C 0.842 175.514 174.700 -0.047 0.000 1.044 299 T CA -0.098 61.983 62.100 -0.030 0.000 0.995 299 T CB 1.377 70.225 68.868 -0.033 0.000 1.072 299 T HN 0.870 nan 8.240 nan 0.000 0.473 300 C N 1.719 120.977 119.300 -0.071 0.000 2.626 300 C HA 0.438 4.898 4.460 -0.000 0.000 0.266 300 C C 0.473 175.372 174.990 -0.151 0.000 1.317 300 C CA -0.378 58.571 59.018 -0.116 0.000 1.716 300 C CB -1.310 26.334 27.740 -0.160 0.000 1.819 300 C HN 0.747 nan 8.230 nan 0.000 0.578 301 D N 1.003 121.334 120.400 -0.115 0.000 2.471 301 D HA 0.361 5.001 4.640 -0.000 0.000 0.245 301 D C -1.913 174.364 176.300 -0.039 0.000 1.116 301 D CA -1.889 52.051 54.000 -0.099 0.000 0.853 301 D CB 1.975 42.744 40.800 -0.051 0.000 1.123 301 D HN -0.077 nan 8.370 nan 0.000 0.540 302 P HA -0.076 nan 4.420 nan 0.000 0.218 302 P C 1.721 179.026 177.300 0.009 0.000 1.148 302 P CA 0.755 63.849 63.100 -0.010 0.000 0.822 302 P CB 0.415 32.114 31.700 -0.002 0.000 0.784 303 L N -0.647 120.595 121.223 0.032 0.000 2.131 303 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 303 L C 2.371 179.262 176.870 0.034 0.000 1.092 303 L CA 1.489 56.364 54.840 0.058 0.000 0.759 303 L CB -0.763 41.368 42.059 0.120 0.000 0.903 303 L HN 0.055 nan 8.230 nan 0.000 0.435 304 E N 0.148 120.359 120.200 0.018 0.000 2.047 304 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 304 E C 2.353 178.928 176.600 -0.042 0.000 0.987 304 E CA 1.082 57.476 56.400 -0.011 0.000 0.799 304 E CB -0.181 29.515 29.700 -0.007 0.000 0.752 304 E HN 0.479 nan 8.360 nan 0.000 0.449 305 A N 1.638 124.435 122.820 -0.038 0.000 1.908 305 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 305 A C 2.395 179.952 177.584 -0.045 0.000 1.181 305 A CA 1.838 53.846 52.037 -0.049 0.000 0.627 305 A CB -0.652 18.325 19.000 -0.038 0.000 0.818 305 A HN 0.295 nan 8.150 nan 0.000 0.445 306 A N 0.377 123.182 122.820 -0.025 0.000 1.930 306 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 306 A C 2.178 179.744 177.584 -0.029 0.000 1.175 306 A CA 1.610 53.636 52.037 -0.019 0.000 0.627 306 A CB -0.386 18.614 19.000 0.001 0.000 0.815 306 A HN 0.723 nan 8.150 nan 0.000 0.443 307 R N -0.828 119.652 120.500 -0.033 0.000 2.312 307 R HA 0.486 4.825 4.340 -0.000 0.000 0.205 307 R C 0.725 176.974 176.300 -0.084 0.000 0.904 307 R CA 0.557 56.634 56.100 -0.038 0.000 1.052 307 R CB -0.360 29.935 30.300 -0.007 0.000 1.014 307 R HN 0.244 nan 8.270 nan 0.000 0.503 308 A N 3.057 125.805 122.820 -0.121 0.000 2.548 308 A HA 0.179 4.499 4.320 -0.000 0.000 0.247 308 A C -1.617 175.844 177.584 -0.205 0.000 1.067 308 A CA -1.127 50.792 52.037 -0.195 0.000 0.757 308 A CB 0.184 19.055 19.000 -0.214 0.000 0.996 308 A HN 0.269 nan 8.150 nan 0.000 0.504 309 P HA 0.060 nan 4.420 nan 0.000 0.245 309 P C -0.155 176.981 177.300 -0.273 0.000 1.212 309 P CA 0.744 63.626 63.100 -0.364 0.000 0.774 309 P CB -0.048 31.146 31.700 -0.843 0.000 0.999 310 M N -2.867 116.599 119.600 -0.223 0.000 2.578 310 M HA 0.654 5.134 4.480 -0.000 0.000 0.276 310 M C -0.395 175.837 176.300 -0.114 0.000 1.245 310 M CA -0.363 54.864 55.300 -0.122 0.000 0.871 310 M CB 1.227 33.786 32.600 -0.068 0.000 1.722 310 M HN 0.043 nan 8.290 nan 0.000 0.473 311 G N 1.685 110.444 108.800 -0.067 0.000 2.707 311 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.686 311 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.686 311 G C -1.596 173.271 174.900 -0.056 0.000 1.315 311 G CA -0.394 44.670 45.100 -0.060 0.000 0.832 311 G HN 0.971 nan 8.290 nan 0.000 0.573 312 D N 0.057 120.431 120.400 -0.043 0.000 2.348 312 D HA 0.773 5.413 4.640 -0.000 0.000 0.249 312 D C 0.701 176.973 176.300 -0.047 0.000 1.110 312 D CA 1.007 54.985 54.000 -0.037 0.000 0.967 312 D CB 1.615 42.401 40.800 -0.023 0.000 1.139 312 D HN 1.260 nan 8.370 nan 0.000 0.466 313 A N 0.636 123.431 122.820 -0.041 0.000 2.539 313 A HA 0.744 5.064 4.320 -0.000 0.000 0.296 313 A C -1.193 176.372 177.584 -0.032 0.000 1.073 313 A CA -0.595 51.415 52.037 -0.044 0.000 0.700 313 A CB 1.123 20.091 19.000 -0.054 0.000 1.296 313 A HN 0.457 nan 8.150 nan 0.000 0.405 314 I N 1.270 121.822 120.570 -0.030 0.000 2.499 314 I HA 0.372 4.542 4.170 -0.000 0.000 0.288 314 I C -0.919 175.181 176.117 -0.027 0.000 1.048 314 I CA -0.857 60.428 61.300 -0.024 0.000 1.062 314 I CB 2.253 40.242 38.000 -0.019 0.000 1.238 314 I HN 0.312 nan 8.210 nan 0.000 0.426 315 V N 5.856 125.754 119.914 -0.027 0.000 2.348 315 V HA 0.849 4.969 4.120 -0.000 0.000 0.270 315 V C 0.292 176.367 176.094 -0.031 0.000 1.037 315 V CA -0.055 62.225 62.300 -0.032 0.000 0.872 315 V CB 0.608 32.411 31.823 -0.032 0.000 1.002 315 V HN 0.888 nan 8.190 nan 0.000 0.464 316 A N 3.714 126.514 122.820 -0.034 0.000 2.536 316 A HA 0.619 4.938 4.320 -0.000 0.000 0.293 316 A C -1.178 176.386 177.584 -0.034 0.000 1.119 316 A CA -0.772 51.247 52.037 -0.030 0.000 0.654 316 A CB 1.056 20.044 19.000 -0.021 0.000 1.291 316 A HN 0.705 nan 8.150 nan 0.000 0.439 317 D N 0.084 120.467 120.400 -0.028 0.000 2.390 317 D HA 0.335 4.975 4.640 -0.000 0.000 0.249 317 D C 1.049 177.339 176.300 -0.016 0.000 1.144 317 D CA -0.402 53.583 54.000 -0.026 0.000 0.880 317 D CB 0.376 41.164 40.800 -0.020 0.000 1.182 317 D HN 0.275 nan 8.370 nan 0.000 0.451 318 I N 3.693 124.255 120.570 -0.014 0.000 2.252 318 I HA -0.039 4.131 4.170 -0.000 0.000 0.245 318 I C 2.312 178.433 176.117 0.006 0.000 1.102 318 I CA 1.039 62.339 61.300 -0.001 0.000 1.385 318 I CB -1.615 36.389 38.000 0.008 0.000 1.064 318 I HN 0.689 nan 8.210 nan 0.000 0.414 319 G N 0.883 109.686 108.800 0.005 0.000 2.459 319 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 319 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 319 G C 1.857 176.760 174.900 0.004 0.000 1.183 319 G CA 1.119 46.223 45.100 0.006 0.000 0.776 319 G HN 0.480 nan 8.290 nan 0.000 0.552 320 A N 0.155 122.975 122.820 -0.000 0.000 1.933 320 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 320 A C 2.444 180.028 177.584 0.000 0.000 1.175 320 A CA 1.891 53.927 52.037 -0.001 0.000 0.628 320 A CB -0.297 18.700 19.000 -0.005 0.000 0.814 320 A HN 0.309 nan 8.150 nan 0.000 0.444 321 M N -0.591 119.009 119.600 0.000 0.000 2.156 321 M HA -0.037 4.443 4.480 -0.000 0.000 0.264 321 M C 2.549 178.854 176.300 0.007 0.000 1.067 321 M CA 1.492 56.794 55.300 0.002 0.000 1.131 321 M CB -1.405 31.194 32.600 -0.000 0.000 1.368 321 M HN 0.479 nan 8.290 nan 0.000 0.416 322 A N -0.459 122.368 122.820 0.011 0.000 1.877 322 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 322 A C 2.479 180.072 177.584 0.015 0.000 1.186 322 A CA 2.334 54.381 52.037 0.018 0.000 0.620 322 A CB -0.998 18.017 19.000 0.024 0.000 0.822 322 A HN 0.489 nan 8.150 nan 0.000 0.443 323 S N -0.419 115.286 115.700 0.010 0.000 2.356 323 S HA -0.075 4.395 4.470 -0.000 0.000 0.223 323 S C 2.209 176.813 174.600 0.007 0.000 1.032 323 S CA 1.723 59.928 58.200 0.007 0.000 1.005 323 S CB -0.544 62.658 63.200 0.004 0.000 0.867 323 S HN 0.853 nan 8.310 nan 0.000 0.449 324 A N 1.487 124.310 122.820 0.006 0.000 1.883 324 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 324 A C 2.267 179.856 177.584 0.008 0.000 1.186 324 A CA 1.652 53.692 52.037 0.005 0.000 0.624 324 A CB -0.938 18.064 19.000 0.003 0.000 0.822 324 A HN 0.581 nan 8.150 nan 0.000 0.444 325 L N -0.854 120.375 121.223 0.010 0.000 2.017 325 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 325 L C 3.100 179.979 176.870 0.016 0.000 1.073 325 L CA 1.136 55.984 54.840 0.013 0.000 0.745 325 L CB -0.567 41.501 42.059 0.015 0.000 0.894 325 L HN 0.440 nan 8.230 nan 0.000 0.432 326 A N -0.167 122.663 122.820 0.017 0.000 1.972 326 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 326 A C 1.970 179.564 177.584 0.016 0.000 1.169 326 A CA 1.707 53.756 52.037 0.019 0.000 0.635 326 A CB -0.452 18.559 19.000 0.019 0.000 0.810 326 A HN 0.476 nan 8.150 nan 0.000 0.446 327 N N -0.768 117.939 118.700 0.012 0.000 2.373 327 N HA 0.132 4.872 4.740 -0.000 0.000 0.181 327 N C 1.328 176.844 175.510 0.009 0.000 1.082 327 N CA 0.546 53.602 53.050 0.010 0.000 0.885 327 N CB 0.179 38.670 38.487 0.007 0.000 0.977 327 N HN 0.472 nan 8.380 nan 0.000 0.462 328 L N 0.657 121.886 121.223 0.010 0.000 2.408 328 L HA 0.137 4.476 4.340 -0.000 0.000 0.215 328 L C 0.775 177.651 176.870 0.011 0.000 1.081 328 L CA 0.029 54.874 54.840 0.009 0.000 0.840 328 L CB 0.094 42.158 42.059 0.008 0.000 1.002 328 L HN -0.102 nan 8.230 nan 0.000 0.468 329 V N -1.487 118.435 119.914 0.014 0.000 2.811 329 V HA 0.129 4.248 4.120 -0.000 0.000 0.302 329 V C 0.249 176.353 176.094 0.017 0.000 1.063 329 V CA -0.909 61.401 62.300 0.016 0.000 1.088 329 V CB 0.473 32.308 31.823 0.020 0.000 0.982 329 V HN 0.154 nan 8.190 nan 0.000 0.485 330 E N 1.345 121.555 120.200 0.016 0.000 2.392 330 E HA 0.217 4.567 4.350 -0.000 0.000 0.259 330 E C -0.300 176.312 176.600 0.020 0.000 1.108 330 E CA -0.321 56.089 56.400 0.016 0.000 0.916 330 E CB 0.740 30.449 29.700 0.015 0.000 0.989 330 E HN 0.896 nan 8.360 nan 0.000 0.432 331 E N 1.571 121.783 120.200 0.019 0.000 2.070 331 E HA 0.034 4.384 4.350 -0.000 0.000 0.282 331 E C -0.803 175.810 176.600 0.021 0.000 1.104 331 E CA -0.098 56.315 56.400 0.022 0.000 0.876 331 E CB 0.617 30.328 29.700 0.020 0.000 1.055 331 E HN 0.293 nan 8.360 nan 0.000 0.401 332 S N 3.088 118.803 115.700 0.025 0.000 2.564 332 S HA 0.066 4.536 4.470 -0.000 0.000 0.278 332 S C 0.912 175.526 174.600 0.022 0.000 1.333 332 S CA 0.092 58.306 58.200 0.024 0.000 1.048 332 S CB 0.525 63.742 63.200 0.028 0.000 0.900 332 S HN 0.620 nan 8.310 nan 0.000 0.505 333 S N 4.267 119.978 115.700 0.019 0.000 2.593 333 S HA 0.203 4.673 4.470 -0.000 0.000 0.217 333 S C 0.695 175.305 174.600 0.017 0.000 0.966 333 S CA -0.383 57.827 58.200 0.016 0.000 0.914 333 S CB -0.142 63.066 63.200 0.013 0.000 0.776 333 S HN 0.709 nan 8.310 nan 0.000 0.523 334 R N 1.221 121.733 120.500 0.020 0.000 2.827 334 R HA 0.171 4.511 4.340 -0.000 0.000 0.269 334 R C 0.306 176.618 176.300 0.020 0.000 1.048 334 R CA -0.166 55.946 56.100 0.021 0.000 1.173 334 R CB 0.169 30.485 30.300 0.027 0.000 1.070 334 R HN 0.304 nan 8.270 nan 0.000 0.498 335 Q N 1.493 121.304 119.800 0.018 0.000 2.332 335 Q HA 0.094 4.434 4.340 -0.000 0.000 0.263 335 Q C -0.953 175.059 176.000 0.020 0.000 0.979 335 Q CA -0.155 55.657 55.803 0.015 0.000 0.885 335 Q CB 0.728 29.473 28.738 0.011 0.000 1.218 335 Q HN 0.370 nan 8.270 nan 0.000 0.405 336 L N 6.735 127.970 121.223 0.019 0.000 2.485 336 L HA 0.299 4.639 4.340 -0.000 0.000 0.275 336 L C -2.099 174.782 176.870 0.018 0.000 1.207 336 L CA -1.003 53.852 54.840 0.026 0.000 0.855 336 L CB 0.152 42.224 42.059 0.022 0.000 1.114 336 L HN 0.695 nan 8.230 nan 0.000 0.485 337 P HA 0.069 nan 4.420 nan 0.000 0.266 337 P C -1.110 176.188 177.300 -0.004 0.000 1.193 337 P CA -0.061 63.042 63.100 0.004 0.000 0.770 337 P CB 0.148 31.845 31.700 -0.006 0.000 0.836 338 T N -0.640 113.906 114.554 -0.013 0.000 2.882 338 T HA 0.626 4.976 4.350 -0.000 0.000 0.287 338 T C 0.259 174.947 174.700 -0.020 0.000 0.992 338 T CA -0.930 61.160 62.100 -0.017 0.000 1.076 338 T CB 0.890 69.749 68.868 -0.015 0.000 0.961 338 T HN 0.441 nan 8.240 nan 0.000 0.490 339 A N 2.231 125.042 122.820 -0.016 0.000 2.466 339 A HA 0.582 4.901 4.320 -0.000 0.000 0.238 339 A C 0.982 178.561 177.584 -0.008 0.000 1.074 339 A CA -0.288 51.748 52.037 -0.003 0.000 0.774 339 A CB -0.687 18.312 19.000 -0.001 0.000 1.015 339 A HN 1.474 nan 8.150 nan 0.000 0.498 340 A N 2.955 125.772 122.820 -0.004 0.000 2.445 340 A HA 0.536 4.856 4.320 -0.000 0.000 0.242 340 A C -1.514 176.070 177.584 0.001 0.000 1.075 340 A CA -0.859 51.169 52.037 -0.015 0.000 0.777 340 A CB -0.655 18.332 19.000 -0.023 0.000 1.013 340 A HN 0.783 nan 8.150 nan 0.000 0.493 341 P HA 0.203 nan 4.420 nan 0.000 0.272 341 P C -0.360 176.946 177.300 0.009 0.000 1.223 341 P CA -0.198 62.903 63.100 0.002 0.000 0.784 341 P CB 0.516 32.216 31.700 -0.001 0.000 0.923 342 E N 1.710 121.917 120.200 0.011 0.000 2.390 342 E HA 0.183 4.533 4.350 -0.000 0.000 0.261 342 E C -1.822 174.787 176.600 0.015 0.000 1.076 342 E CA -1.147 55.263 56.400 0.016 0.000 0.905 342 E CB -0.303 29.407 29.700 0.015 0.000 0.984 342 E HN 0.387 nan 8.360 nan 0.000 0.427 343 P HA 0.119 nan 4.420 nan 0.000 0.272 343 P C -1.351 175.959 177.300 0.016 0.000 1.223 343 P CA -0.327 62.784 63.100 0.018 0.000 0.784 343 P CB 0.853 32.569 31.700 0.025 0.000 0.923 344 A N 2.104 124.931 122.820 0.012 0.000 2.445 344 A HA 0.175 4.495 4.320 -0.000 0.000 0.242 344 A C 0.350 177.940 177.584 0.010 0.000 1.075 344 A CA -0.277 51.765 52.037 0.008 0.000 0.777 344 A CB -0.146 18.855 19.000 0.002 0.000 1.013 344 A HN 0.545 nan 8.150 nan 0.000 0.493 345 K N 2.232 122.636 120.400 0.007 0.000 2.284 345 K HA 0.394 4.714 4.320 -0.000 0.000 0.287 345 K C -0.031 176.564 176.600 -0.009 0.000 1.081 345 K CA -0.459 55.832 56.287 0.008 0.000 0.910 345 K CB 0.304 32.810 32.500 0.011 0.000 1.088 345 K HN 0.683 nan 8.250 nan 0.000 0.478 346 V N 1.309 121.208 119.914 -0.024 0.000 2.881 346 V HA 0.170 4.290 4.120 -0.000 0.000 0.303 346 V C 0.016 176.063 176.094 -0.079 0.000 1.070 346 V CA -0.694 61.561 62.300 -0.076 0.000 1.074 346 V CB 1.245 32.983 31.823 -0.142 0.000 1.012 346 V HN 0.818 nan 8.190 nan 0.000 0.482 347 D N 2.066 122.407 120.400 -0.099 0.000 2.424 347 D HA 0.332 4.972 4.640 -0.000 0.000 0.244 347 D C -0.300 175.991 176.300 -0.016 0.000 1.134 347 D CA 0.499 54.472 54.000 -0.045 0.000 0.881 347 D CB 0.875 41.657 40.800 -0.029 0.000 1.191 347 D HN 0.870 nan 8.370 nan 0.000 0.445 348 Q N 2.451 122.288 119.800 0.062 0.000 2.292 348 Q HA 0.289 4.629 4.340 -0.000 0.000 0.270 348 Q C -1.487 174.571 176.000 0.098 0.000 1.024 348 Q CA -0.837 55.053 55.803 0.145 0.000 0.768 348 Q CB 1.188 29.999 28.738 0.123 0.000 1.250 348 Q HN 0.527 nan 8.270 nan 0.000 0.447 349 D N 2.054 122.517 120.400 0.105 0.000 2.511 349 D HA 0.369 5.009 4.640 -0.000 0.000 0.276 349 D C 0.023 176.349 176.300 0.043 0.000 1.220 349 D CA -0.218 53.819 54.000 0.062 0.000 1.077 349 D CB 0.414 41.248 40.800 0.057 0.000 1.126 349 D HN 0.469 nan 8.370 nan 0.000 0.583 350 A N -1.080 121.758 122.820 0.029 0.000 2.327 350 A HA 0.476 4.796 4.320 -0.000 0.000 0.228 350 A C 0.973 178.563 177.584 0.011 0.000 1.275 350 A CA 0.454 52.502 52.037 0.019 0.000 0.875 350 A CB -1.042 17.968 19.000 0.017 0.000 0.925 350 A HN 0.558 nan 8.150 nan 0.000 0.493 351 G N -0.595 108.208 108.800 0.006 0.000 3.019 351 G HA2 0.440 4.400 3.960 -0.000 0.000 0.152 351 G HA3 0.440 4.400 3.960 -0.000 0.000 0.152 351 G C -0.032 174.851 174.900 -0.030 0.000 1.320 351 G CA -1.002 44.093 45.100 -0.009 0.000 1.013 351 G HN 0.419 nan 8.290 nan 0.000 0.593 352 R N -0.265 120.203 120.500 -0.053 0.000 2.698 352 R HA 0.155 4.495 4.340 -0.000 0.000 0.266 352 R C -0.400 175.820 176.300 -0.133 0.000 1.026 352 R CA -0.380 55.672 56.100 -0.079 0.000 1.102 352 R CB 0.257 30.507 30.300 -0.083 0.000 0.978 352 R HN 0.081 nan 8.270 nan 0.000 0.436 353 L N 3.926 125.083 121.223 -0.109 0.000 2.331 353 L HA 0.147 4.487 4.340 -0.000 0.000 0.278 353 L C 0.742 177.524 176.870 -0.147 0.000 1.106 353 L CA 0.184 54.966 54.840 -0.096 0.000 0.824 353 L CB 0.530 42.554 42.059 -0.059 0.000 1.142 353 L HN 0.484 nan 8.230 nan 0.000 0.443 354 H N 4.888 123.955 119.070 -0.005 0.000 2.764 354 H HA 0.068 4.624 4.556 -0.000 0.000 0.341 354 H C -1.400 173.915 175.328 -0.022 0.000 1.072 354 H CA -1.307 54.745 56.048 0.006 0.000 1.444 354 H CB 0.894 30.670 29.762 0.023 0.000 1.458 354 H HN 0.343 nan 8.280 nan 0.000 0.572 355 P HA -0.178 nan 4.420 nan 0.000 0.216 355 P C 1.111 178.422 177.300 0.018 0.000 1.153 355 P CA 1.375 64.471 63.100 -0.006 0.000 0.858 355 P CB 0.401 32.186 31.700 0.140 0.000 0.789 356 E N -1.067 119.238 120.200 0.176 0.000 2.097 356 E HA -0.164 4.185 4.350 -0.000 0.000 0.196 356 E C 1.977 178.648 176.600 0.119 0.000 1.000 356 E CA 1.928 58.448 56.400 0.199 0.000 0.804 356 E CB -1.395 28.381 29.700 0.126 0.000 0.740 356 E HN 0.263 nan 8.360 nan 0.000 0.454 357 T N 0.255 114.856 114.554 0.078 0.000 2.720 357 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 357 T C 2.022 176.709 174.700 -0.022 0.000 1.037 357 T CA 1.359 63.485 62.100 0.042 0.000 1.144 357 T CB -0.387 68.519 68.868 0.064 0.000 0.864 357 T HN -0.020 nan 8.240 nan 0.000 0.444 358 V N 0.900 120.735 119.914 -0.131 0.000 2.295 358 V HA -0.141 3.978 4.120 -0.000 0.000 0.246 358 V C 2.173 178.120 176.094 -0.245 0.000 1.049 358 V CA 1.690 63.839 62.300 -0.252 0.000 1.024 358 V CB -0.858 30.699 31.823 -0.444 0.000 0.648 358 V HN 0.387 nan 8.190 nan 0.000 0.447 359 F N 0.512 120.466 119.950 0.008 0.000 2.186 359 F HA -0.087 4.439 4.527 -0.000 0.000 0.299 359 F C 2.233 178.020 175.800 -0.022 0.000 1.090 359 F CA 1.250 59.232 58.000 -0.029 0.000 1.307 359 F CB -0.816 38.152 39.000 -0.053 0.000 1.019 359 F HN 0.197 nan 8.300 nan 0.000 0.489 360 D N -0.406 120.077 120.400 0.139 0.000 2.117 360 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 360 D C 2.291 178.629 176.300 0.063 0.000 0.982 360 D CA 1.749 55.802 54.000 0.088 0.000 0.828 360 D CB -0.750 40.090 40.800 0.067 0.000 0.967 360 D HN 0.175 nan 8.370 nan 0.000 0.464 361 T N 1.122 115.703 114.554 0.044 0.000 2.708 361 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 361 T C 2.247 176.980 174.700 0.055 0.000 1.037 361 T CA 0.533 62.654 62.100 0.036 0.000 1.146 361 T CB -0.337 68.540 68.868 0.014 0.000 0.865 361 T HN 0.109 nan 8.240 nan 0.000 0.435 362 L N 1.418 122.683 121.223 0.070 0.000 2.012 362 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 362 L C 2.779 179.734 176.870 0.142 0.000 1.073 362 L CA 1.356 56.271 54.840 0.126 0.000 0.748 362 L CB -0.653 41.513 42.059 0.178 0.000 0.891 362 L HN 0.383 nan 8.230 nan 0.000 0.431 363 N N -0.123 118.643 118.700 0.110 0.000 2.166 363 N HA -0.212 4.528 4.740 -0.000 0.000 0.186 363 N C 1.311 176.867 175.510 0.076 0.000 1.019 363 N CA 1.586 54.692 53.050 0.094 0.000 0.856 363 N CB 0.040 38.560 38.487 0.055 0.000 0.993 363 N HN 0.318 nan 8.380 nan 0.000 0.426 364 D N 0.249 120.686 120.400 0.061 0.000 2.144 364 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 364 D C 1.801 178.127 176.300 0.044 0.000 0.978 364 D CA 1.060 55.087 54.000 0.046 0.000 0.833 364 D CB 0.012 40.834 40.800 0.037 0.000 0.961 364 D HN 0.459 nan 8.370 nan 0.000 0.470 365 M N -0.136 119.496 119.600 0.053 0.000 2.615 365 M HA 0.210 4.690 4.480 -0.000 0.000 0.262 365 M C 0.914 177.240 176.300 0.044 0.000 1.198 365 M CA -0.067 55.258 55.300 0.043 0.000 1.165 365 M CB 0.547 33.171 32.600 0.040 0.000 1.310 365 M HN -0.191 nan 8.290 nan 0.000 0.494 366 A N 2.512 125.374 122.820 0.069 0.000 2.386 366 A HA 0.415 4.735 4.320 -0.000 0.000 0.248 366 A C -2.070 175.530 177.584 0.026 0.000 1.082 366 A CA -1.112 50.956 52.037 0.052 0.000 0.789 366 A CB -0.702 18.364 19.000 0.110 0.000 1.025 366 A HN 0.121 nan 8.150 nan 0.000 0.490 367 P HA 0.078 nan 4.420 nan 0.000 0.270 367 P C 0.186 177.480 177.300 -0.010 0.000 1.223 367 P CA -0.040 63.051 63.100 -0.015 0.000 0.785 367 P CB 0.488 32.167 31.700 -0.034 0.000 0.923 368 E N 0.794 120.990 120.200 -0.006 0.000 2.265 368 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 368 E C 0.909 177.500 176.600 -0.016 0.000 0.996 368 E CA 1.017 57.415 56.400 -0.002 0.000 0.832 368 E CB -0.183 29.513 29.700 -0.007 0.000 0.756 368 E HN 0.517 nan 8.360 nan 0.000 0.491 369 N N 0.280 118.960 118.700 -0.033 0.000 2.273 369 N HA 0.114 4.854 4.740 -0.000 0.000 0.231 369 N C -0.178 175.284 175.510 -0.080 0.000 1.134 369 N CA -0.025 52.998 53.050 -0.045 0.000 0.856 369 N CB 0.128 38.593 38.487 -0.037 0.000 1.068 369 N HN -0.067 nan 8.380 nan 0.000 0.510 370 A N 0.815 123.561 122.820 -0.123 0.000 2.536 370 A HA 0.356 4.676 4.320 -0.000 0.000 0.234 370 A C 0.104 177.513 177.584 -0.291 0.000 1.076 370 A CA 0.073 51.954 52.037 -0.261 0.000 0.769 370 A CB -0.002 18.744 19.000 -0.425 0.000 1.020 370 A HN 0.416 nan 8.150 nan 0.000 0.508 371 I N 0.878 121.252 120.570 -0.327 0.000 2.418 371 I HA 0.334 4.504 4.170 -0.000 0.000 0.287 371 I C -1.237 174.714 176.117 -0.275 0.000 1.008 371 I CA -0.294 60.892 61.300 -0.190 0.000 1.104 371 I CB 1.418 39.409 38.000 -0.015 0.000 1.264 371 I HN 0.601 nan 8.210 nan 0.000 0.438 372 Y N 6.042 126.372 120.300 0.049 0.000 2.387 372 Y HA 0.651 5.201 4.550 -0.000 0.000 0.330 372 Y C -0.367 175.550 175.900 0.028 0.000 1.133 372 Y CA -0.755 57.373 58.100 0.047 0.000 1.152 372 Y CB 1.441 39.941 38.460 0.067 0.000 1.215 372 Y HN 0.312 nan 8.280 nan 0.000 0.466 373 L N 2.527 123.857 121.223 0.178 0.000 2.362 373 L HA 0.465 4.805 4.340 -0.000 0.000 0.271 373 L C -0.712 176.224 176.870 0.110 0.000 1.002 373 L CA -0.687 54.207 54.840 0.089 0.000 0.818 373 L CB 1.735 43.858 42.059 0.107 0.000 1.298 373 L HN 0.562 nan 8.230 nan 0.000 0.420 374 N N 1.305 120.049 118.700 0.073 0.000 2.443 374 N HA 0.322 5.062 4.740 -0.000 0.000 0.269 374 N C -0.793 174.903 175.510 0.310 0.000 0.985 374 N CA -0.223 52.962 53.050 0.224 0.000 0.921 374 N CB 1.410 40.067 38.487 0.283 0.000 1.195 374 N HN 0.696 nan 8.380 nan 0.000 0.492 375 E N 1.781 122.140 120.200 0.266 0.000 3.843 375 E HA 0.137 4.487 4.350 -0.000 0.000 0.189 375 E C -1.240 175.499 176.600 0.232 0.000 1.013 375 E CA -0.090 56.452 56.400 0.236 0.000 1.395 375 E CB 0.241 30.040 29.700 0.166 0.000 1.136 375 E HN 0.353 nan 8.360 nan 0.000 0.444 376 S N 0.325 116.186 115.700 0.268 0.000 2.512 376 S HA 0.097 4.566 4.470 -0.000 0.000 0.291 376 S C 1.176 175.930 174.600 0.256 0.000 1.151 376 S CA -0.242 58.104 58.200 0.244 0.000 1.120 376 S CB 0.423 63.781 63.200 0.263 0.000 1.029 376 S HN 0.396 nan 8.310 nan 0.000 0.485 377 T N 0.646 115.344 114.554 0.240 0.000 2.995 377 T HA -0.076 4.274 4.350 -0.000 0.000 0.269 377 T C 1.736 176.545 174.700 0.182 0.000 1.091 377 T CA 1.067 63.315 62.100 0.247 0.000 1.128 377 T CB -0.299 68.705 68.868 0.227 0.000 0.891 377 T HN 0.630 nan 8.240 nan 0.000 0.492 378 S N 1.401 117.196 115.700 0.159 0.000 2.575 378 S HA 0.054 4.523 4.470 -0.000 0.000 0.215 378 S C 1.688 176.332 174.600 0.072 0.000 0.966 378 S CA 0.364 58.618 58.200 0.090 0.000 0.911 378 S CB -0.537 62.733 63.200 0.117 0.000 0.780 378 S HN 0.684 nan 8.310 nan 0.000 0.514 379 T N -3.077 111.562 114.554 0.141 0.000 3.084 379 T HA 0.216 4.566 4.350 -0.000 0.000 0.270 379 T C 1.238 175.999 174.700 0.102 0.000 1.008 379 T CA 0.260 62.471 62.100 0.184 0.000 0.900 379 T CB -0.216 68.870 68.868 0.363 0.000 1.084 379 T HN 0.171 nan 8.240 nan 0.000 0.538 380 T N 2.254 116.853 114.554 0.074 0.000 2.720 380 T HA -0.011 4.339 4.350 -0.000 0.000 0.268 380 T C 2.386 177.109 174.700 0.037 0.000 1.037 380 T CA 1.545 63.678 62.100 0.054 0.000 1.144 380 T CB -0.659 68.241 68.868 0.054 0.000 0.864 380 T HN 0.630 nan 8.240 nan 0.000 0.444 381 A N 1.379 124.194 122.820 -0.007 0.000 1.902 381 A HA -0.189 4.130 4.320 -0.000 0.000 0.217 381 A C 2.292 179.863 177.584 -0.022 0.000 1.181 381 A CA 1.697 53.724 52.037 -0.017 0.000 0.623 381 A CB -0.682 18.281 19.000 -0.060 0.000 0.818 381 A HN 0.550 nan 8.150 nan 0.000 0.443 382 Q N -1.252 118.519 119.800 -0.050 0.000 2.084 382 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 382 Q C 2.182 177.990 176.000 -0.320 0.000 0.978 382 Q CA 1.667 57.429 55.803 -0.069 0.000 0.844 382 Q CB -0.306 28.481 28.738 0.081 0.000 0.898 382 Q HN 0.770 nan 8.270 nan 0.000 0.426 383 M N -0.733 118.450 119.600 -0.695 0.000 2.080 383 M HA -0.224 4.255 4.480 -0.000 0.000 0.260 383 M C 1.285 177.241 176.300 -0.573 0.000 1.068 383 M CA 1.764 56.356 55.300 -1.179 0.000 1.109 383 M CB -0.101 31.850 32.600 -1.082 0.000 1.342 383 M HN 0.282 nan 8.290 nan 0.000 0.405 384 W N 0.617 121.686 121.300 -0.384 0.000 2.402 384 W HA -0.164 4.496 4.660 -0.000 0.000 0.286 384 W C 2.377 178.796 176.519 -0.167 0.000 1.221 384 W CA 1.294 58.473 57.345 -0.276 0.000 1.257 384 W CB -0.172 29.146 29.460 -0.235 0.000 1.120 384 W HN 0.352 nan 8.180 nan 0.000 0.551 385 Q N -0.608 119.227 119.800 0.057 0.000 2.230 385 Q HA -0.066 4.273 4.340 -0.000 0.000 0.202 385 Q C 1.826 177.828 176.000 0.003 0.000 0.963 385 Q CA 0.995 56.824 55.803 0.043 0.000 0.866 385 Q CB -0.116 28.634 28.738 0.021 0.000 0.931 385 Q HN 0.309 nan 8.270 nan 0.000 0.452 386 R N -0.548 119.911 120.500 -0.069 0.000 2.365 386 R HA 0.249 4.589 4.340 -0.000 0.000 0.223 386 R C -0.175 176.086 176.300 -0.064 0.000 0.899 386 R CA -0.062 56.018 56.100 -0.033 0.000 1.059 386 R CB 0.738 31.058 30.300 0.035 0.000 1.086 386 R HN 0.063 nan 8.270 nan 0.000 0.522 387 L N 1.482 122.606 121.223 -0.165 0.000 2.287 387 L HA 0.294 4.634 4.340 -0.000 0.000 0.287 387 L C -0.348 176.448 176.870 -0.124 0.000 1.022 387 L CA -0.546 54.171 54.840 -0.204 0.000 0.814 387 L CB 1.558 43.327 42.059 -0.483 0.000 1.217 387 L HN 0.089 nan 8.230 nan 0.000 0.420 388 N N 4.806 123.479 118.700 -0.045 0.000 2.399 388 N HA 0.263 5.003 4.740 -0.000 0.000 0.259 388 N C -0.767 174.734 175.510 -0.015 0.000 1.160 388 N CA -0.353 52.682 53.050 -0.025 0.000 0.946 388 N CB 0.479 38.967 38.487 0.001 0.000 1.156 388 N HN 0.551 nan 8.380 nan 0.000 0.489 389 M N 3.624 123.185 119.600 -0.065 0.000 2.055 389 M HA 0.233 4.713 4.480 -0.000 0.000 0.346 389 M C 0.780 177.028 176.300 -0.087 0.000 1.074 389 M CA -0.416 54.855 55.300 -0.050 0.000 1.009 389 M CB 1.508 34.054 32.600 -0.090 0.000 1.423 389 M HN 0.459 nan 8.290 nan 0.000 0.410 390 R N 0.365 120.828 120.500 -0.061 0.000 2.173 390 R HA 0.152 4.492 4.340 -0.000 0.000 0.208 390 R C 0.309 176.552 176.300 -0.096 0.000 1.035 390 R CA 0.619 56.669 56.100 -0.083 0.000 1.004 390 R CB 0.230 30.497 30.300 -0.055 0.000 0.917 390 R HN 0.596 nan 8.270 nan 0.000 0.462 391 N N 0.934 119.591 118.700 -0.072 0.000 2.443 391 N HA 0.305 5.044 4.740 -0.000 0.000 0.293 391 N C -2.627 172.847 175.510 -0.061 0.000 1.159 391 N CA -1.708 51.303 53.050 -0.064 0.000 0.904 391 N CB 1.169 39.630 38.487 -0.042 0.000 1.214 391 N HN -0.225 nan 8.380 nan 0.000 0.513 392 P HA 0.097 nan 4.420 nan 0.000 0.271 392 P C 0.459 177.750 177.300 -0.015 0.000 1.233 392 P CA 0.269 63.350 63.100 -0.031 0.000 0.789 392 P CB 0.256 31.945 31.700 -0.019 0.000 0.951 393 G N 0.482 109.275 108.800 -0.012 0.000 2.305 393 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.287 393 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.287 393 G C 0.622 175.514 174.900 -0.014 0.000 1.036 393 G CA 0.478 45.585 45.100 0.013 0.000 0.887 393 G HN 0.446 nan 8.290 nan 0.000 0.505 394 S N -1.601 114.052 115.700 -0.079 0.000 2.539 394 S HA 0.381 4.851 4.470 -0.000 0.000 0.221 394 S C -0.037 174.580 174.600 0.029 0.000 0.987 394 S CA 0.242 58.433 58.200 -0.016 0.000 0.929 394 S CB 0.575 63.776 63.200 0.003 0.000 0.832 394 S HN 0.771 nan 8.310 nan 0.000 0.492 395 Y N 0.709 120.802 120.300 -0.343 0.000 2.479 395 Y HA 0.568 5.117 4.550 -0.000 0.000 0.338 395 Y C -2.180 173.422 175.900 -0.497 0.000 1.055 395 Y CA -1.377 56.557 58.100 -0.276 0.000 1.023 395 Y CB 1.048 39.329 38.460 -0.299 0.000 1.287 395 Y HN 0.048 nan 8.280 nan 0.000 0.447 396 Y N 6.322 126.379 120.300 -0.405 0.000 2.470 396 Y HA 0.583 5.132 4.550 -0.000 0.000 0.341 396 Y C -1.457 174.305 175.900 -0.230 0.000 1.021 396 Y CA -1.203 56.810 58.100 -0.146 0.000 1.025 396 Y CB 2.162 40.719 38.460 0.162 0.000 1.266 396 Y HN 0.587 nan 8.280 nan 0.000 0.448 397 F N 2.664 122.565 119.950 -0.082 0.000 2.591 397 F HA 0.579 5.106 4.527 -0.000 0.000 0.309 397 F C -0.427 175.249 175.800 -0.207 0.000 1.098 397 F CA -1.763 56.202 58.000 -0.058 0.000 0.937 397 F CB 0.960 40.004 39.000 0.073 0.000 1.250 397 F HN 0.740 nan 8.300 nan 0.000 0.447 398 C N 4.199 122.865 119.300 -1.056 0.000 2.409 398 C HA 0.439 4.899 4.460 -0.000 0.000 0.398 398 C C 1.573 176.095 174.990 -0.779 0.000 1.507 398 C CA 0.010 58.377 59.018 -1.086 0.000 1.460 398 C CB -1.104 26.183 27.740 -0.755 0.000 2.472 398 C HN 1.039 nan 8.230 nan 0.000 0.614 399 A N 3.327 125.823 122.820 -0.539 0.000 2.015 399 A HA 0.281 4.601 4.320 -0.000 0.000 0.219 399 A C 2.197 179.698 177.584 -0.139 0.000 1.163 399 A CA 1.540 53.448 52.037 -0.215 0.000 0.646 399 A CB -0.407 18.485 19.000 -0.180 0.000 0.806 399 A HN 1.605 nan 8.150 nan 0.000 0.448 400 A N -2.025 120.682 122.820 -0.188 0.000 2.430 400 A HA 0.466 4.786 4.320 -0.000 0.000 0.243 400 A C 1.564 179.050 177.584 -0.163 0.000 1.254 400 A CA 0.943 52.908 52.037 -0.119 0.000 0.914 400 A CB -0.722 18.232 19.000 -0.075 0.000 0.998 400 A HN 1.771 nan 8.150 nan 0.000 0.515 401 G N -1.077 107.572 108.800 -0.251 0.000 2.155 401 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.257 401 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.257 401 G C 0.645 175.389 174.900 -0.260 0.000 0.983 401 G CA 0.217 45.161 45.100 -0.259 0.000 0.676 401 G HN 1.456 nan 8.290 nan 0.000 0.528 402 G N 0.186 108.830 108.800 -0.260 0.000 2.356 402 G HA2 0.593 4.553 3.960 -0.000 0.000 0.300 402 G HA3 0.593 4.553 3.960 -0.000 0.000 0.300 402 G C 0.514 175.259 174.900 -0.258 0.000 1.107 402 G CA -0.615 44.346 45.100 -0.230 0.000 0.960 402 G HN 0.587 nan 8.290 nan 0.000 0.418 403 L N 1.753 122.749 121.223 -0.377 0.000 2.467 403 L HA 0.424 4.764 4.340 -0.000 0.000 0.270 403 L C 1.547 178.224 176.870 -0.321 0.000 1.205 403 L CA 0.801 55.380 54.840 -0.435 0.000 0.828 403 L CB 0.838 42.427 42.059 -0.784 0.000 1.101 403 L HN 0.832 nan 8.230 nan 0.000 0.479 404 G N 1.276 110.034 108.800 -0.071 0.000 2.179 404 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 404 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 404 G C 0.260 175.215 174.900 0.092 0.000 0.990 404 G CA 0.345 45.495 45.100 0.084 0.000 0.646 404 G HN 0.654 nan 8.290 nan 0.000 0.517 405 F N 1.609 121.519 119.950 -0.067 0.000 2.188 405 F HA 0.501 5.028 4.527 -0.000 0.000 0.289 405 F C 2.494 178.276 175.800 -0.029 0.000 1.082 405 F CA 2.000 59.960 58.000 -0.068 0.000 1.282 405 F CB -0.366 38.560 39.000 -0.123 0.000 1.060 405 F HN 0.225 nan 8.300 nan 0.000 0.493 406 A N 0.893 123.711 122.820 -0.002 0.000 1.930 406 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 406 A C 2.271 179.800 177.584 -0.091 0.000 1.175 406 A CA 1.593 53.572 52.037 -0.096 0.000 0.627 406 A CB -1.223 17.859 19.000 0.136 0.000 0.815 406 A HN 0.578 nan 8.150 nan 0.000 0.443 407 L N 0.191 121.427 121.223 0.022 0.000 1.976 407 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 407 L C -0.407 176.510 176.870 0.080 0.000 1.071 407 L CA 1.921 56.839 54.840 0.131 0.000 0.746 407 L CB -0.766 41.341 42.059 0.079 0.000 0.890 407 L HN 0.252 nan 8.230 nan 0.000 0.432 408 P HA -0.159 nan 4.420 nan 0.000 0.216 408 P C 1.307 178.485 177.300 -0.204 0.000 1.153 408 P CA 2.013 65.060 63.100 -0.090 0.000 0.848 408 P CB -0.124 31.515 31.700 -0.103 0.000 0.787 409 A N 0.733 123.284 122.820 -0.449 0.000 1.940 409 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 409 A C 2.501 179.862 177.584 -0.372 0.000 1.176 409 A CA 2.214 53.883 52.037 -0.613 0.000 0.631 409 A CB -1.575 16.566 19.000 -1.432 0.000 0.814 409 A HN 0.229 nan 8.150 nan 0.000 0.446 410 A N -0.045 122.626 122.820 -0.248 0.000 1.978 410 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 410 A C 2.085 179.600 177.584 -0.115 0.000 1.170 410 A CA 1.577 53.520 52.037 -0.156 0.000 0.636 410 A CB -0.593 18.333 19.000 -0.123 0.000 0.810 410 A HN 0.540 nan 8.150 nan 0.000 0.448 411 I N -0.634 119.912 120.570 -0.040 0.000 2.202 411 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 411 I C 2.707 178.821 176.117 -0.005 0.000 1.091 411 I CA 1.108 62.417 61.300 0.015 0.000 1.368 411 I CB -0.662 37.392 38.000 0.089 0.000 1.058 411 I HN 0.381 nan 8.210 nan 0.000 0.410 412 G N 0.596 109.363 108.800 -0.055 0.000 2.402 412 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 412 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 412 G C 1.727 176.652 174.900 0.042 0.000 1.162 412 G CA 0.730 45.831 45.100 0.001 0.000 0.777 412 G HN 0.216 nan 8.290 nan 0.000 0.539 413 V N 0.704 120.560 119.914 -0.098 0.000 2.287 413 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 413 V C 2.788 178.858 176.094 -0.040 0.000 1.053 413 V CA 2.354 64.583 62.300 -0.118 0.000 1.027 413 V CB -0.541 31.167 31.823 -0.192 0.000 0.646 413 V HN 0.434 nan 8.190 nan 0.000 0.447 414 Q N -0.257 119.521 119.800 -0.036 0.000 2.124 414 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 414 Q C 1.948 177.967 176.000 0.031 0.000 0.977 414 Q CA 1.739 57.529 55.803 -0.021 0.000 0.850 414 Q CB -0.560 28.150 28.738 -0.047 0.000 0.901 414 Q HN 0.537 nan 8.270 nan 0.000 0.429 415 L N -0.036 121.239 121.223 0.086 0.000 2.042 415 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 415 L C 2.018 179.017 176.870 0.214 0.000 1.076 415 L CA 2.243 57.179 54.840 0.161 0.000 0.749 415 L CB -0.945 41.245 42.059 0.218 0.000 0.893 415 L HN 0.264 nan 8.230 nan 0.000 0.432 416 A N -1.764 121.160 122.820 0.173 0.000 2.014 416 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 416 A C 1.148 178.707 177.584 -0.042 0.000 1.163 416 A CA 0.963 52.972 52.037 -0.046 0.000 0.652 416 A CB -0.193 18.605 19.000 -0.336 0.000 0.808 416 A HN 0.444 nan 8.150 nan 0.000 0.449 417 E N -0.508 119.684 120.200 -0.014 0.000 3.568 417 E HA 0.166 4.515 4.350 -0.000 0.000 0.213 417 E C -2.173 174.421 176.600 -0.009 0.000 1.197 417 E CA -1.574 54.816 56.400 -0.018 0.000 1.126 417 E CB 0.854 30.542 29.700 -0.021 0.000 1.285 417 E HN 0.343 nan 8.360 nan 0.000 0.418 418 P HA -0.123 nan 4.420 nan 0.000 0.221 418 P C 0.611 177.905 177.300 -0.010 0.000 1.145 418 P CA 1.068 64.169 63.100 0.002 0.000 0.795 418 P CB 0.454 32.161 31.700 0.012 0.000 0.775 419 E N -0.879 119.313 120.200 -0.014 0.000 2.479 419 E HA 0.092 4.441 4.350 -0.000 0.000 0.193 419 E C 0.396 176.979 176.600 -0.027 0.000 1.049 419 E CA -0.045 56.344 56.400 -0.018 0.000 0.870 419 E CB 0.094 29.785 29.700 -0.015 0.000 0.944 419 E HN 0.283 nan 8.360 nan 0.000 0.492 420 R N 1.458 121.937 120.500 -0.034 0.000 2.393 420 R HA 0.212 4.552 4.340 -0.000 0.000 0.315 420 R C -0.586 175.673 176.300 -0.068 0.000 0.952 420 R CA -0.785 55.285 56.100 -0.049 0.000 0.842 420 R CB 1.331 31.605 30.300 -0.044 0.000 1.163 420 R HN -0.080 nan 8.270 nan 0.000 0.450 421 Q N 2.461 122.209 119.800 -0.086 0.000 2.271 421 Q HA 0.105 4.445 4.340 -0.000 0.000 0.273 421 Q C -0.833 175.073 176.000 -0.157 0.000 1.051 421 Q CA 0.165 55.903 55.803 -0.109 0.000 0.901 421 Q CB 0.922 29.598 28.738 -0.103 0.000 1.174 421 Q HN 0.388 nan 8.270 nan 0.000 0.385 422 V N 6.706 126.529 119.914 -0.152 0.000 2.465 422 V HA 0.421 4.541 4.120 -0.000 0.000 0.279 422 V C 0.089 176.058 176.094 -0.209 0.000 1.045 422 V CA -0.437 61.756 62.300 -0.177 0.000 0.938 422 V CB 1.101 32.834 31.823 -0.150 0.000 0.986 422 V HN 0.727 nan 8.190 nan 0.000 0.467 423 I N 4.127 124.578 120.570 -0.199 0.000 2.476 423 I HA 0.580 4.749 4.170 -0.000 0.000 0.281 423 I C 0.109 176.230 176.117 0.007 0.000 1.040 423 I CA -0.469 60.763 61.300 -0.113 0.000 1.094 423 I CB 1.708 39.673 38.000 -0.059 0.000 1.219 423 I HN 0.641 nan 8.210 nan 0.000 0.450 424 A N 6.603 129.400 122.820 -0.039 0.000 2.252 424 A HA 0.690 5.010 4.320 -0.000 0.000 0.309 424 A C -0.358 177.311 177.584 0.142 0.000 1.285 424 A CA -0.422 51.652 52.037 0.063 0.000 0.900 424 A CB 0.678 19.703 19.000 0.041 0.000 1.157 424 A HN 0.455 nan 8.150 nan 0.000 0.536 425 V N 5.083 125.112 119.914 0.191 0.000 2.318 425 V HA 0.366 4.486 4.120 -0.000 0.000 0.271 425 V C -0.224 175.983 176.094 0.188 0.000 1.030 425 V CA 0.117 62.534 62.300 0.195 0.000 0.844 425 V CB 0.133 32.124 31.823 0.279 0.000 1.015 425 V HN 0.717 nan 8.190 nan 0.000 0.460 426 I N 3.600 124.255 120.570 0.143 0.000 2.498 426 I HA 0.590 4.760 4.170 -0.000 0.000 0.290 426 I C 0.924 177.088 176.117 0.079 0.000 1.032 426 I CA -0.492 60.889 61.300 0.134 0.000 1.073 426 I CB 2.067 40.150 38.000 0.139 0.000 1.251 426 I HN 0.641 nan 8.210 nan 0.000 0.426 427 G N 2.718 111.588 108.800 0.116 0.000 2.606 427 G HA2 0.075 4.035 3.960 -0.000 0.000 0.252 427 G HA3 0.075 4.035 3.960 -0.000 0.000 0.252 427 G C 0.785 175.710 174.900 0.041 0.000 1.206 427 G CA -0.236 44.919 45.100 0.091 0.000 0.861 427 G HN 0.816 nan 8.290 nan 0.000 0.561 428 D N 0.282 120.680 120.400 -0.004 0.000 2.144 428 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 428 D C 2.176 178.639 176.300 0.271 0.000 0.984 428 D CA 1.441 55.444 54.000 0.006 0.000 0.834 428 D CB -0.911 39.948 40.800 0.099 0.000 0.955 428 D HN 0.469 nan 8.370 nan 0.000 0.465 429 G N 0.299 109.268 108.800 0.282 0.000 2.404 429 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 429 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 429 G C 1.872 177.084 174.900 0.519 0.000 1.174 429 G CA 1.034 46.403 45.100 0.448 0.000 0.780 429 G HN 0.356 nan 8.290 nan 0.000 0.537 430 S N 1.060 117.034 115.700 0.456 0.000 2.399 430 S HA 0.005 4.475 4.470 -0.000 0.000 0.231 430 S C 2.730 177.583 174.600 0.422 0.000 1.022 430 S CA 1.052 59.530 58.200 0.463 0.000 0.983 430 S CB -0.314 63.041 63.200 0.258 0.000 0.803 430 S HN 0.582 nan 8.310 nan 0.000 0.480 431 A N 2.677 125.676 122.820 0.298 0.000 1.978 431 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 431 A C 1.866 179.606 177.584 0.261 0.000 1.170 431 A CA 1.438 53.627 52.037 0.254 0.000 0.636 431 A CB -0.526 18.617 19.000 0.239 0.000 0.810 431 A HN 0.506 nan 8.150 nan 0.000 0.448 432 N N -1.272 117.571 118.700 0.238 0.000 2.331 432 N HA -0.121 4.619 4.740 -0.000 0.000 0.180 432 N C 1.438 176.973 175.510 0.041 0.000 1.019 432 N CA 1.327 54.431 53.050 0.090 0.000 0.881 432 N CB -0.469 38.001 38.487 -0.029 0.000 0.972 432 N HN 0.660 nan 8.380 nan 0.000 0.435 433 Y N 1.340 121.706 120.300 0.109 0.000 2.165 433 Y HA -0.071 4.479 4.550 -0.000 0.000 0.286 433 Y C 1.525 177.456 175.900 0.052 0.000 1.155 433 Y CA 0.997 59.143 58.100 0.076 0.000 1.164 433 Y CB -0.042 38.459 38.460 0.067 0.000 0.978 433 Y HN -0.082 nan 8.280 nan 0.000 0.513 434 S N -0.703 115.113 115.700 0.192 0.000 2.668 434 S HA 0.144 4.614 4.470 -0.000 0.000 0.244 434 S C 1.099 175.725 174.600 0.042 0.000 1.140 434 S CA -0.328 57.929 58.200 0.094 0.000 1.134 434 S CB -0.085 63.160 63.200 0.075 0.000 0.954 434 S HN 0.219 nan 8.310 nan 0.000 0.490 435 I N 2.768 123.374 120.570 0.060 0.000 2.264 435 I HA -0.180 3.989 4.170 -0.000 0.000 0.248 435 I C 2.346 178.430 176.117 -0.054 0.000 1.111 435 I CA 1.720 63.054 61.300 0.057 0.000 1.382 435 I CB -0.249 37.831 38.000 0.133 0.000 1.060 435 I HN 0.477 nan 8.210 nan 0.000 0.418 436 S N 0.532 116.145 115.700 -0.145 0.000 2.474 436 S HA -0.042 4.428 4.470 -0.000 0.000 0.235 436 S C 2.184 176.530 174.600 -0.424 0.000 0.997 436 S CA 0.628 58.504 58.200 -0.540 0.000 0.949 436 S CB -0.895 62.103 63.200 -0.336 0.000 0.766 436 S HN 0.478 nan 8.310 nan 0.000 0.517 437 A N 2.081 124.792 122.820 -0.181 0.000 2.024 437 A HA 0.093 4.413 4.320 -0.000 0.000 0.220 437 A C 2.162 179.706 177.584 -0.066 0.000 1.164 437 A CA 1.247 53.239 52.037 -0.075 0.000 0.643 437 A CB -0.861 18.118 19.000 -0.034 0.000 0.806 437 A HN 0.581 nan 8.150 nan 0.000 0.451 438 L N -2.605 118.518 121.223 -0.167 0.000 2.089 438 L HA -0.263 4.077 4.340 -0.000 0.000 0.213 438 L C 2.441 179.331 176.870 0.033 0.000 1.079 438 L CA 1.864 56.628 54.840 -0.127 0.000 0.758 438 L CB -0.529 41.468 42.059 -0.104 0.000 0.891 438 L HN 0.764 nan 8.230 nan 0.000 0.433 439 W N 0.904 122.075 121.300 -0.214 0.000 2.321 439 W HA -0.246 4.414 4.660 -0.000 0.000 0.306 439 W C 2.544 179.080 176.519 0.029 0.000 1.217 439 W CA 2.243 59.549 57.345 -0.064 0.000 1.257 439 W CB -0.304 29.067 29.460 -0.150 0.000 1.145 439 W HN -0.001 nan 8.180 nan 0.000 0.509 440 T N 0.299 114.970 114.554 0.195 0.000 2.788 440 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 440 T C 1.940 176.706 174.700 0.110 0.000 1.044 440 T CA 1.820 64.024 62.100 0.174 0.000 1.139 440 T CB -0.870 68.144 68.868 0.244 0.000 0.867 440 T HN 0.256 nan 8.240 nan 0.000 0.454 441 A N 1.436 124.315 122.820 0.099 0.000 1.902 441 A HA 0.172 4.492 4.320 -0.000 0.000 0.217 441 A C 2.637 180.240 177.584 0.032 0.000 1.181 441 A CA 1.775 53.885 52.037 0.120 0.000 0.623 441 A CB -1.059 18.082 19.000 0.236 0.000 0.818 441 A HN 0.504 nan 8.150 nan 0.000 0.443 442 A N -1.206 121.580 122.820 -0.056 0.000 1.873 442 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 442 A C 2.138 179.557 177.584 -0.276 0.000 1.186 442 A CA 1.608 53.562 52.037 -0.137 0.000 0.616 442 A CB -0.459 18.457 19.000 -0.140 0.000 0.823 442 A HN 0.474 nan 8.150 nan 0.000 0.442 443 Q N -1.416 118.069 119.800 -0.524 0.000 2.119 443 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 443 Q C 1.060 176.687 176.000 -0.622 0.000 0.972 443 Q CA 1.387 56.747 55.803 -0.738 0.000 0.847 443 Q CB -0.265 27.701 28.738 -1.287 0.000 0.903 443 Q HN 0.881 nan 8.270 nan 0.000 0.433 444 Y N -0.154 120.026 120.300 -0.200 0.000 2.485 444 Y HA 0.136 4.686 4.550 -0.000 0.000 0.260 444 Y C 0.376 176.235 175.900 -0.067 0.000 1.173 444 Y CA -0.455 57.581 58.100 -0.106 0.000 1.252 444 Y CB 0.047 38.462 38.460 -0.075 0.000 1.123 444 Y HN 0.106 nan 8.280 nan 0.000 0.524 445 N N 1.351 120.056 118.700 0.009 0.000 2.705 445 N HA -0.227 4.513 4.740 -0.000 0.000 0.255 445 N C -1.077 174.459 175.510 0.044 0.000 1.008 445 N CA 0.330 53.388 53.050 0.013 0.000 0.742 445 N CB -1.244 37.239 38.487 -0.007 0.000 0.906 445 N HN 0.385 nan 8.380 nan 0.000 0.541 446 I N 1.018 121.628 120.570 0.066 0.000 2.301 446 I HA 0.214 4.384 4.170 -0.000 0.000 0.292 446 I C -1.485 174.654 176.117 0.037 0.000 1.046 446 I CA -1.893 59.442 61.300 0.058 0.000 1.282 446 I CB 1.181 39.227 38.000 0.076 0.000 1.409 446 I HN 0.055 nan 8.210 nan 0.000 0.484 447 P HA 0.076 nan 4.420 nan 0.000 0.226 447 P C -0.050 177.209 177.300 -0.069 0.000 1.758 447 P CA -0.209 62.884 63.100 -0.012 0.000 0.896 447 P CB -0.510 31.182 31.700 -0.012 0.000 1.784 448 T N 1.201 115.684 114.554 -0.119 0.000 2.926 448 T HA 0.201 4.550 4.350 -0.000 0.000 0.307 448 T C 0.755 175.209 174.700 -0.410 0.000 1.059 448 T CA 0.435 62.340 62.100 -0.326 0.000 1.122 448 T CB 0.518 69.080 68.868 -0.511 0.000 0.972 448 T HN 0.065 nan 8.240 nan 0.000 0.545 449 I N 2.863 123.180 120.570 -0.421 0.000 2.354 449 I HA 0.367 4.537 4.170 -0.000 0.000 0.292 449 I C -0.769 175.105 176.117 -0.406 0.000 0.989 449 I CA -0.609 60.524 61.300 -0.279 0.000 1.188 449 I CB 0.882 38.812 38.000 -0.118 0.000 1.342 449 I HN 0.498 nan 8.210 nan 0.000 0.457 450 F N 5.743 125.711 119.950 0.030 0.000 2.402 450 F HA 0.438 4.965 4.527 -0.000 0.000 0.355 450 F C -0.033 175.781 175.800 0.024 0.000 1.123 450 F CA -0.920 57.099 58.000 0.033 0.000 1.021 450 F CB 1.397 40.420 39.000 0.039 0.000 1.160 450 F HN 0.006 nan 8.300 nan 0.000 0.451 451 V N 5.576 125.586 119.914 0.160 0.000 2.311 451 V HA 0.313 4.432 4.120 -0.000 0.000 0.275 451 V C -0.022 176.097 176.094 0.041 0.000 1.022 451 V CA -0.612 61.737 62.300 0.081 0.000 0.830 451 V CB 0.874 32.730 31.823 0.055 0.000 1.012 451 V HN 0.440 nan 8.190 nan 0.000 0.452 452 I N 5.955 126.509 120.570 -0.026 0.000 2.325 452 I HA 0.341 4.511 4.170 -0.000 0.000 0.291 452 I C 0.221 176.245 176.117 -0.155 0.000 1.019 452 I CA -0.405 60.802 61.300 -0.156 0.000 1.302 452 I CB 1.403 39.164 38.000 -0.397 0.000 1.401 452 I HN 0.453 nan 8.210 nan 0.000 0.485 453 M N 5.731 125.263 119.600 -0.114 0.000 2.319 453 M HA 0.149 4.629 4.480 -0.000 0.000 0.343 453 M C 0.152 176.404 176.300 -0.081 0.000 1.364 453 M CA -0.124 55.133 55.300 -0.072 0.000 1.292 453 M CB -0.644 31.948 32.600 -0.013 0.000 1.432 453 M HN 0.357 nan 8.290 nan 0.000 0.448 454 N N 3.705 122.356 118.700 -0.083 0.000 2.558 454 N HA 0.105 4.845 4.740 -0.000 0.000 0.233 454 N C 0.260 175.779 175.510 0.015 0.000 1.038 454 N CA -0.072 52.956 53.050 -0.036 0.000 0.934 454 N CB 0.386 38.873 38.487 0.001 0.000 1.175 454 N HN 0.444 nan 8.380 nan 0.000 0.512 455 N N 2.451 121.172 118.700 0.034 0.000 2.236 455 N HA 0.139 4.879 4.740 -0.000 0.000 0.196 455 N C 1.022 176.562 175.510 0.050 0.000 1.114 455 N CA 0.364 53.440 53.050 0.043 0.000 0.859 455 N CB -0.003 38.518 38.487 0.058 0.000 0.982 455 N HN 0.476 nan 8.380 nan 0.000 0.493 456 G N -1.448 107.385 108.800 0.056 0.000 2.162 456 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 456 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 456 G C 0.013 174.915 174.900 0.003 0.000 0.976 456 G CA 0.748 45.871 45.100 0.038 0.000 0.655 456 G HN 0.802 nan 8.290 nan 0.000 0.533 457 T N -1.670 112.892 114.554 0.013 0.000 2.802 457 T HA 0.516 4.866 4.350 -0.000 0.000 0.311 457 T C -1.297 173.447 174.700 0.073 0.000 1.405 457 T CA -0.544 61.556 62.100 -0.000 0.000 1.016 457 T CB 0.845 69.755 68.868 0.069 0.000 1.352 457 T HN 0.338 nan 8.240 nan 0.000 0.498 458 Y N 2.587 122.963 120.300 0.127 0.000 2.570 458 Y HA 0.316 4.866 4.550 -0.000 0.000 0.336 458 Y C 1.656 177.649 175.900 0.155 0.000 1.284 458 Y CA -0.332 57.853 58.100 0.143 0.000 1.761 458 Y CB -0.200 38.343 38.460 0.138 0.000 1.724 458 Y HN 0.828 nan 8.280 nan 0.000 0.455 459 G N 1.366 110.342 108.800 0.294 0.000 2.440 459 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 459 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 459 G C 1.819 176.895 174.900 0.294 0.000 1.154 459 G CA 0.913 46.163 45.100 0.251 0.000 0.767 459 G HN 0.632 nan 8.290 nan 0.000 0.552 460 A N 0.329 123.317 122.820 0.279 0.000 1.972 460 A HA 0.123 4.443 4.320 -0.000 0.000 0.219 460 A C 2.429 180.262 177.584 0.415 0.000 1.169 460 A CA 1.169 53.396 52.037 0.317 0.000 0.635 460 A CB -0.316 18.818 19.000 0.223 0.000 0.810 460 A HN 0.371 nan 8.150 nan 0.000 0.446 461 L N -1.301 120.099 121.223 0.295 0.000 2.072 461 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 461 L C 2.856 179.915 176.870 0.315 0.000 1.079 461 L CA 1.201 56.197 54.840 0.260 0.000 0.752 461 L CB -0.495 41.670 42.059 0.177 0.000 0.906 461 L HN 0.373 nan 8.230 nan 0.000 0.436 462 R N -0.931 119.749 120.500 0.300 0.000 2.103 462 R HA -0.258 4.082 4.340 -0.000 0.000 0.242 462 R C 2.086 178.555 176.300 0.282 0.000 1.142 462 R CA 2.205 58.456 56.100 0.252 0.000 0.960 462 R CB -0.514 29.920 30.300 0.223 0.000 0.858 462 R HN 0.418 nan 8.270 nan 0.000 0.439 463 W N 0.481 121.893 121.300 0.187 0.000 2.355 463 W HA -0.163 4.497 4.660 -0.000 0.000 0.309 463 W C 1.663 178.272 176.519 0.149 0.000 1.206 463 W CA 1.235 58.673 57.345 0.154 0.000 1.284 463 W CB -0.372 29.186 29.460 0.164 0.000 1.145 463 W HN -0.073 nan 8.180 nan 0.000 0.502 464 F N 0.512 120.659 119.950 0.330 0.000 2.216 464 F HA -0.154 4.373 4.527 -0.000 0.000 0.300 464 F C 2.476 178.261 175.800 -0.025 0.000 1.085 464 F CA 1.981 60.066 58.000 0.141 0.000 1.326 464 F CB -1.228 37.903 39.000 0.219 0.000 1.027 464 F HN -0.018 nan 8.300 nan 0.000 0.497 465 A N -0.094 122.840 122.820 0.189 0.000 1.872 465 A HA 0.010 4.329 4.320 -0.000 0.000 0.214 465 A C 2.595 180.168 177.584 -0.018 0.000 1.187 465 A CA 1.530 53.622 52.037 0.091 0.000 0.614 465 A CB -1.587 17.479 19.000 0.110 0.000 0.826 465 A HN 0.377 nan 8.150 nan 0.000 0.442 466 G N -0.282 108.478 108.800 -0.066 0.000 2.469 466 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 466 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 466 G C 1.539 176.296 174.900 -0.238 0.000 1.150 466 G CA 1.428 46.443 45.100 -0.143 0.000 0.763 466 G HN 0.306 nan 8.290 nan 0.000 0.561 467 V N 0.840 120.511 119.914 -0.406 0.000 2.220 467 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 467 V C 2.834 178.791 176.094 -0.228 0.000 1.049 467 V CA 1.771 63.807 62.300 -0.440 0.000 1.003 467 V CB -0.585 30.811 31.823 -0.713 0.000 0.634 467 V HN 0.344 nan 8.190 nan 0.000 0.444 468 L N -0.082 121.054 121.223 -0.146 0.000 2.447 468 L HA -0.140 4.200 4.340 -0.000 0.000 0.225 468 L C 1.287 178.132 176.870 -0.041 0.000 1.148 468 L CA 1.016 55.826 54.840 -0.051 0.000 0.808 468 L CB -0.483 41.590 42.059 0.023 0.000 0.928 468 L HN 0.542 nan 8.230 nan 0.000 0.448 469 E N -0.047 120.116 120.200 -0.061 0.000 2.297 469 E HA -0.236 4.113 4.350 -0.000 0.000 0.228 469 E C -0.141 176.453 176.600 -0.011 0.000 1.213 469 E CA 0.635 57.011 56.400 -0.040 0.000 0.712 469 E CB -1.063 28.612 29.700 -0.041 0.000 1.202 469 E HN 0.387 nan 8.360 nan 0.000 0.376 470 A N 1.894 124.717 122.820 0.004 0.000 2.279 470 A HA 0.529 4.849 4.320 -0.000 0.000 0.306 470 A C 0.172 177.771 177.584 0.026 0.000 1.300 470 A CA -0.254 51.797 52.037 0.024 0.000 0.925 470 A CB 0.460 19.486 19.000 0.044 0.000 1.152 470 A HN 0.311 nan 8.150 nan 0.000 0.544 471 E N 1.661 121.874 120.200 0.022 0.000 2.232 471 E HA 0.351 4.701 4.350 -0.000 0.000 0.264 471 E C -0.372 176.245 176.600 0.028 0.000 0.973 471 E CA -1.094 55.320 56.400 0.023 0.000 0.849 471 E CB 0.679 30.388 29.700 0.015 0.000 1.198 471 E HN 0.625 nan 8.360 nan 0.000 0.407 472 N N -0.233 118.486 118.700 0.030 0.000 2.740 472 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 472 N C -1.243 174.290 175.510 0.038 0.000 1.062 472 N CA 0.451 53.520 53.050 0.031 0.000 0.704 472 N CB -1.331 37.170 38.487 0.025 0.000 0.968 472 N HN 0.140 nan 8.380 nan 0.000 0.547 473 V N 1.698 121.641 119.914 0.048 0.000 2.406 473 V HA 0.354 4.474 4.120 -0.000 0.000 0.272 473 V C -0.998 175.135 176.094 0.064 0.000 1.043 473 V CA -1.031 61.304 62.300 0.058 0.000 0.915 473 V CB 1.268 33.134 31.823 0.071 0.000 0.988 473 V HN 0.128 nan 8.190 nan 0.000 0.466 474 P HA 0.422 nan 4.420 nan 0.000 0.276 474 P C 0.580 177.935 177.300 0.090 0.000 1.252 474 P CA 0.268 63.407 63.100 0.065 0.000 0.802 474 P CB 1.197 32.928 31.700 0.052 0.000 1.035 475 G N 0.208 109.065 108.800 0.095 0.000 2.137 475 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.237 475 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.237 475 G C 0.472 175.501 174.900 0.214 0.000 1.002 475 G CA 0.215 45.395 45.100 0.134 0.000 0.702 475 G HN 0.478 nan 8.290 nan 0.000 0.515 476 L N -0.518 120.809 121.223 0.173 0.000 2.529 476 L HA 0.282 4.622 4.340 -0.000 0.000 0.223 476 L C 0.325 177.258 176.870 0.105 0.000 1.113 476 L CA 0.255 55.237 54.840 0.237 0.000 0.861 476 L CB 0.011 42.182 42.059 0.187 0.000 1.012 476 L HN 0.136 nan 8.230 nan 0.000 0.461 477 D N 0.358 120.755 120.400 -0.004 0.000 2.252 477 D HA 0.339 4.979 4.640 -0.000 0.000 0.245 477 D C -0.058 176.131 176.300 -0.185 0.000 1.009 477 D CA -0.126 53.821 54.000 -0.089 0.000 0.870 477 D CB 3.136 43.923 40.800 -0.021 0.000 1.251 477 D HN -0.200 nan 8.370 nan 0.000 0.460 478 V N -1.081 118.702 119.914 -0.218 0.000 2.468 478 V HA 0.339 4.459 4.120 -0.000 0.000 0.256 478 V C -2.524 173.515 176.094 -0.091 0.000 0.998 478 V CA -1.386 60.790 62.300 -0.206 0.000 1.114 478 V CB 0.376 31.998 31.823 -0.334 0.000 1.378 478 V HN 0.308 nan 8.190 nan 0.000 0.573 479 P HA 0.388 nan 4.420 nan 0.000 0.274 479 P C 0.887 178.161 177.300 -0.043 0.000 1.246 479 P CA 1.206 64.287 63.100 -0.032 0.000 0.795 479 P CB 1.225 32.911 31.700 -0.024 0.000 1.006 480 G N 0.559 109.337 108.800 -0.036 0.000 2.182 480 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.248 480 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.248 480 G C -0.137 174.700 174.900 -0.106 0.000 1.042 480 G CA -0.177 44.889 45.100 -0.057 0.000 0.775 480 G HN 0.494 nan 8.290 nan 0.000 0.501 481 I N 0.425 120.909 120.570 -0.144 0.000 2.378 481 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 481 I C -0.645 175.249 176.117 -0.370 0.000 0.992 481 I CA -0.820 60.278 61.300 -0.338 0.000 1.154 481 I CB 1.790 39.464 38.000 -0.544 0.000 1.315 481 I HN 0.012 nan 8.210 nan 0.000 0.448 482 D N 6.162 126.355 120.400 -0.345 0.000 2.473 482 D HA 0.230 4.870 4.640 -0.000 0.000 0.226 482 D C 0.497 176.658 176.300 -0.231 0.000 1.089 482 D CA -0.343 53.547 54.000 -0.182 0.000 0.883 482 D CB 0.638 41.377 40.800 -0.100 0.000 1.029 482 D HN 0.290 nan 8.370 nan 0.000 0.517 483 F N 1.945 121.899 119.950 0.006 0.000 2.325 483 F HA 0.042 4.569 4.527 -0.000 0.000 0.299 483 F C 2.411 178.220 175.800 0.014 0.000 1.090 483 F CA 0.505 58.513 58.000 0.014 0.000 1.392 483 F CB 0.007 39.022 39.000 0.025 0.000 1.053 483 F HN 0.243 nan 8.300 nan 0.000 0.521 484 R N 0.104 120.702 120.500 0.164 0.000 2.092 484 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 484 R C 2.421 178.749 176.300 0.048 0.000 1.119 484 R CA 1.118 57.278 56.100 0.099 0.000 0.970 484 R CB -0.682 29.663 30.300 0.075 0.000 0.864 484 R HN 0.293 nan 8.270 nan 0.000 0.440 485 A N 1.239 124.065 122.820 0.009 0.000 1.898 485 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 485 A C 2.171 179.727 177.584 -0.048 0.000 1.181 485 A CA 0.931 52.951 52.037 -0.029 0.000 0.620 485 A CB -0.435 18.532 19.000 -0.057 0.000 0.819 485 A HN 0.150 nan 8.150 nan 0.000 0.442 486 L N -0.640 120.555 121.223 -0.047 0.000 2.042 486 L HA -0.233 4.106 4.340 -0.000 0.000 0.210 486 L C 3.105 179.993 176.870 0.030 0.000 1.076 486 L CA 1.162 55.981 54.840 -0.035 0.000 0.749 486 L CB -0.627 41.430 42.059 -0.003 0.000 0.893 486 L HN 0.442 nan 8.230 nan 0.000 0.432 487 A N 0.207 123.071 122.820 0.074 0.000 1.877 487 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 487 A C 2.405 180.031 177.584 0.071 0.000 1.186 487 A CA 2.076 54.168 52.037 0.093 0.000 0.620 487 A CB -0.522 18.534 19.000 0.093 0.000 0.822 487 A HN 0.347 nan 8.150 nan 0.000 0.443 488 K N -0.609 119.811 120.400 0.034 0.000 2.044 488 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 488 K C 2.026 178.613 176.600 -0.020 0.000 1.049 488 K CA 1.658 57.953 56.287 0.013 0.000 0.927 488 K CB -0.680 31.819 32.500 -0.002 0.000 0.713 488 K HN 0.384 nan 8.250 nan 0.000 0.443 489 G N -0.254 108.486 108.800 -0.099 0.000 2.503 489 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.221 489 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.221 489 G C 0.766 175.496 174.900 -0.283 0.000 1.131 489 G CA 1.109 46.057 45.100 -0.253 0.000 0.756 489 G HN 0.391 nan 8.290 nan 0.000 0.572 490 Y N 0.050 120.407 120.300 0.095 0.000 2.555 490 Y HA 0.412 4.962 4.550 -0.000 0.000 0.259 490 Y C 1.854 177.839 175.900 0.142 0.000 1.179 490 Y CA -0.720 57.490 58.100 0.184 0.000 1.230 490 Y CB 0.338 38.906 38.460 0.180 0.000 1.146 490 Y HN 0.300 nan 8.280 nan 0.000 0.526 491 G N 0.166 109.071 108.800 0.176 0.000 2.136 491 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.242 491 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.242 491 G C -0.335 174.608 174.900 0.073 0.000 0.989 491 G CA 0.193 45.352 45.100 0.098 0.000 0.682 491 G HN 0.110 nan 8.290 nan 0.000 0.522 492 V N 1.085 121.056 119.914 0.096 0.000 2.427 492 V HA 0.437 4.556 4.120 -0.000 0.000 0.286 492 V C 0.932 177.077 176.094 0.084 0.000 1.034 492 V CA -0.514 61.842 62.300 0.094 0.000 0.893 492 V CB 1.800 33.689 31.823 0.109 0.000 0.982 492 V HN 0.526 nan 8.190 nan 0.000 0.452 493 Q N 2.872 122.719 119.800 0.079 0.000 2.315 493 Q HA 0.343 4.683 4.340 -0.000 0.000 0.289 493 Q C -0.185 175.863 176.000 0.081 0.000 1.044 493 Q CA 0.082 55.926 55.803 0.068 0.000 0.920 493 Q CB 0.712 29.486 28.738 0.059 0.000 1.214 493 Q HN 0.929 nan 8.270 nan 0.000 0.392 494 A N 5.970 128.831 122.820 0.067 0.000 2.311 494 A HA 0.606 4.926 4.320 -0.000 0.000 0.306 494 A C -1.144 176.477 177.584 0.061 0.000 1.189 494 A CA -0.700 51.381 52.037 0.074 0.000 0.791 494 A CB 0.672 19.714 19.000 0.069 0.000 1.172 494 A HN 0.747 nan 8.150 nan 0.000 0.481 495 L N 1.816 123.078 121.223 0.065 0.000 2.319 495 L HA 0.680 5.020 4.340 -0.000 0.000 0.267 495 L C 0.164 177.065 176.870 0.052 0.000 1.011 495 L CA -0.999 53.871 54.840 0.051 0.000 0.818 495 L CB 2.230 44.316 42.059 0.046 0.000 1.316 495 L HN 0.856 nan 8.230 nan 0.000 0.432 496 K N 0.654 121.079 120.400 0.041 0.000 2.267 496 K HA 0.905 5.225 4.320 -0.000 0.000 0.246 496 K C -1.229 175.386 176.600 0.025 0.000 0.954 496 K CA -0.778 55.531 56.287 0.037 0.000 0.824 496 K CB 2.389 34.911 32.500 0.036 0.000 1.167 496 K HN 0.598 nan 8.250 nan 0.000 0.431 497 A N 2.518 125.349 122.820 0.018 0.000 2.605 497 A HA 0.284 4.603 4.320 -0.000 0.000 0.293 497 A C -0.951 176.634 177.584 0.003 0.000 1.216 497 A CA -0.731 51.311 52.037 0.008 0.000 0.742 497 A CB 0.626 19.626 19.000 0.000 0.000 1.170 497 A HN 0.821 nan 8.150 nan 0.000 0.443 498 D N 0.864 121.267 120.400 0.005 0.000 2.360 498 D HA 0.083 4.722 4.640 -0.000 0.000 0.210 498 D C 0.267 176.564 176.300 -0.005 0.000 1.047 498 D CA 0.997 54.998 54.000 0.002 0.000 0.854 498 D CB 0.458 41.262 40.800 0.007 0.000 0.936 498 D HN 0.789 nan 8.370 nan 0.000 0.514 499 N N -1.312 117.386 118.700 -0.002 0.000 3.039 499 N HA 0.082 4.822 4.740 -0.000 0.000 0.257 499 N C 0.207 175.717 175.510 0.001 0.000 1.497 499 N CA -0.731 52.318 53.050 -0.002 0.000 0.861 499 N CB 1.021 39.510 38.487 0.003 0.000 1.479 499 N HN -0.220 nan 8.380 nan 0.000 0.547 500 L N -0.006 121.221 121.223 0.006 0.000 2.046 500 L HA 0.072 4.412 4.340 -0.000 0.000 0.208 500 L C 1.683 178.558 176.870 0.009 0.000 1.077 500 L CA 1.969 56.814 54.840 0.009 0.000 0.747 500 L CB -0.834 41.235 42.059 0.017 0.000 0.896 500 L HN 0.630 nan 8.230 nan 0.000 0.432 501 E N -0.291 119.915 120.200 0.011 0.000 2.110 501 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 501 E C 2.174 178.780 176.600 0.010 0.000 0.988 501 E CA 1.365 57.771 56.400 0.011 0.000 0.804 501 E CB -0.257 29.450 29.700 0.011 0.000 0.745 501 E HN 0.691 nan 8.360 nan 0.000 0.458 502 Q N 0.026 119.832 119.800 0.009 0.000 2.119 502 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 502 Q C 2.291 178.297 176.000 0.009 0.000 0.972 502 Q CA 0.675 56.483 55.803 0.010 0.000 0.847 502 Q CB -0.130 28.614 28.738 0.010 0.000 0.903 502 Q HN 0.131 nan 8.270 nan 0.000 0.433 503 L N 1.263 122.489 121.223 0.005 0.000 2.046 503 L HA -0.191 4.148 4.340 -0.000 0.000 0.208 503 L C 1.851 178.726 176.870 0.008 0.000 1.077 503 L CA 1.850 56.691 54.840 0.002 0.000 0.747 503 L CB -0.172 41.882 42.059 -0.008 0.000 0.896 503 L HN -0.027 nan 8.230 nan 0.000 0.432 504 K N -0.648 119.758 120.400 0.010 0.000 2.026 504 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 504 K C 2.022 178.630 176.600 0.014 0.000 1.048 504 K CA 1.292 57.586 56.287 0.013 0.000 0.929 504 K CB -0.793 31.715 32.500 0.013 0.000 0.713 504 K HN 0.544 nan 8.250 nan 0.000 0.439 505 G N 1.216 110.024 108.800 0.013 0.000 2.433 505 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 505 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 505 G C 1.627 176.536 174.900 0.015 0.000 1.186 505 G CA 1.324 46.432 45.100 0.013 0.000 0.779 505 G HN 0.425 nan 8.290 nan 0.000 0.543 506 S N 0.719 116.429 115.700 0.016 0.000 2.368 506 S HA -0.023 4.447 4.470 -0.000 0.000 0.225 506 S C 2.374 176.986 174.600 0.021 0.000 1.030 506 S CA 1.228 59.440 58.200 0.020 0.000 0.999 506 S CB -0.477 62.736 63.200 0.022 0.000 0.844 506 S HN 0.270 nan 8.310 nan 0.000 0.459 507 L N 1.172 122.406 121.223 0.019 0.000 2.046 507 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 507 L C 3.154 180.034 176.870 0.017 0.000 1.077 507 L CA 1.576 56.427 54.840 0.020 0.000 0.747 507 L CB -0.639 41.434 42.059 0.023 0.000 0.896 507 L HN 0.405 nan 8.230 nan 0.000 0.432 508 Q N -0.251 119.558 119.800 0.015 0.000 2.061 508 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 508 Q C 2.132 178.139 176.000 0.011 0.000 0.984 508 Q CA 1.764 57.574 55.803 0.013 0.000 0.846 508 Q CB -0.110 28.635 28.738 0.012 0.000 0.902 508 Q HN 0.549 nan 8.270 nan 0.000 0.421 509 E N 0.378 120.586 120.200 0.013 0.000 2.051 509 E HA -0.177 4.172 4.350 -0.000 0.000 0.192 509 E C 2.025 178.633 176.600 0.013 0.000 0.991 509 E CA 0.900 57.308 56.400 0.013 0.000 0.799 509 E CB -0.158 29.552 29.700 0.017 0.000 0.748 509 E HN 0.350 nan 8.360 nan 0.000 0.449 510 A N 1.330 124.159 122.820 0.015 0.000 1.940 510 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 510 A C 2.204 179.789 177.584 0.001 0.000 1.176 510 A CA 1.106 53.151 52.037 0.013 0.000 0.631 510 A CB -0.680 18.330 19.000 0.017 0.000 0.814 510 A HN 0.139 nan 8.150 nan 0.000 0.446 511 L N 0.313 121.535 121.223 -0.000 0.000 2.131 511 L HA -0.158 4.181 4.340 -0.000 0.000 0.210 511 L C 2.776 179.642 176.870 -0.007 0.000 1.092 511 L CA 1.554 56.389 54.840 -0.008 0.000 0.759 511 L CB -0.345 41.712 42.059 -0.004 0.000 0.903 511 L HN 0.617 nan 8.230 nan 0.000 0.435 512 S N -0.634 115.066 115.700 -0.001 0.000 2.558 512 S HA 0.206 4.676 4.470 -0.000 0.000 0.217 512 S C 1.034 175.635 174.600 0.001 0.000 0.975 512 S CA -0.014 58.186 58.200 -0.000 0.000 0.912 512 S CB -0.141 63.061 63.200 0.003 0.000 0.776 512 S HN 0.214 nan 8.310 nan 0.000 0.526 513 A N 1.610 124.431 122.820 0.002 0.000 2.386 513 A HA 0.454 4.774 4.320 -0.000 0.000 0.248 513 A C 0.943 178.529 177.584 0.002 0.000 1.082 513 A CA -0.385 51.655 52.037 0.006 0.000 0.789 513 A CB 0.335 19.342 19.000 0.013 0.000 1.025 513 A HN 0.454 nan 8.150 nan 0.000 0.490 514 K N 0.728 121.131 120.400 0.004 0.000 2.367 514 K HA 0.169 4.489 4.320 -0.000 0.000 0.194 514 K C 0.832 177.435 176.600 0.005 0.000 1.027 514 K CA 0.617 56.905 56.287 0.002 0.000 1.075 514 K CB 0.561 33.062 32.500 0.002 0.000 0.845 514 K HN 0.786 nan 8.250 nan 0.000 0.529 515 G N 1.748 110.555 108.800 0.012 0.000 3.042 515 G HA2 0.379 4.339 3.960 -0.000 0.000 0.278 515 G HA3 0.379 4.339 3.960 -0.000 0.000 0.278 515 G C -2.962 171.959 174.900 0.035 0.000 1.371 515 G CA -1.317 43.795 45.100 0.020 0.000 1.009 515 G HN -0.233 nan 8.290 nan 0.000 0.523 516 P HA 0.399 nan 4.420 nan 0.000 0.272 516 P C -0.823 176.557 177.300 0.133 0.000 1.223 516 P CA -0.221 62.946 63.100 0.113 0.000 0.784 516 P CB 1.661 33.491 31.700 0.217 0.000 0.923 517 V N 2.954 122.963 119.914 0.159 0.000 2.733 517 V HA 0.352 4.472 4.120 -0.000 0.000 0.306 517 V C -0.070 176.173 176.094 0.248 0.000 1.084 517 V CA -0.744 61.648 62.300 0.153 0.000 0.905 517 V CB 2.049 33.921 31.823 0.081 0.000 1.010 517 V HN 0.461 nan 8.190 nan 0.000 0.424 518 L N 5.648 127.007 121.223 0.226 0.000 2.307 518 L HA 0.718 5.058 4.340 -0.000 0.000 0.284 518 L C -1.023 175.931 176.870 0.139 0.000 1.023 518 L CA -0.312 54.666 54.840 0.230 0.000 0.810 518 L CB 1.273 43.437 42.059 0.175 0.000 1.231 518 L HN 0.610 nan 8.230 nan 0.000 0.423 519 I N 4.538 125.179 120.570 0.117 0.000 2.389 519 I HA 0.312 4.482 4.170 -0.000 0.000 0.288 519 I C -0.329 175.815 176.117 0.045 0.000 0.999 519 I CA -0.426 60.916 61.300 0.070 0.000 1.129 519 I CB 1.774 39.805 38.000 0.050 0.000 1.288 519 I HN 0.613 nan 8.210 nan 0.000 0.444 520 E N 6.595 126.822 120.200 0.045 0.000 2.089 520 E HA 0.362 4.712 4.350 -0.000 0.000 0.284 520 E C -1.296 175.307 176.600 0.004 0.000 1.023 520 E CA -0.518 55.894 56.400 0.020 0.000 0.819 520 E CB 1.112 30.869 29.700 0.093 0.000 1.076 520 E HN 0.378 nan 8.360 nan 0.000 0.396 521 V N 3.913 123.808 119.914 -0.032 0.000 2.394 521 V HA 0.132 4.252 4.120 -0.000 0.000 0.282 521 V C 0.308 176.384 176.094 -0.029 0.000 1.031 521 V CA -0.686 61.596 62.300 -0.031 0.000 0.881 521 V CB 1.492 33.285 31.823 -0.051 0.000 0.982 521 V HN 0.617 nan 8.190 nan 0.000 0.451 522 S N 4.218 119.909 115.700 -0.016 0.000 2.405 522 S HA 0.372 4.842 4.470 -0.000 0.000 0.291 522 S C 0.350 174.929 174.600 -0.034 0.000 1.137 522 S CA -0.439 57.753 58.200 -0.013 0.000 1.061 522 S CB -0.158 63.040 63.200 -0.004 0.000 1.001 522 S HN 1.011 nan 8.310 nan 0.000 0.507 523 T N 1.897 116.431 114.554 -0.034 0.000 2.945 523 T HA 0.664 5.014 4.350 -0.000 0.000 0.286 523 T C 0.455 175.125 174.700 -0.050 0.000 1.025 523 T CA -0.884 61.186 62.100 -0.050 0.000 1.039 523 T CB 1.003 69.849 68.868 -0.036 0.000 1.068 523 T HN 0.284 nan 8.240 nan 0.000 0.497 524 V N 0.000 119.858 119.914 -0.093 0.000 2.409 524 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 524 V CA 0.000 62.244 62.300 -0.094 0.000 1.235 524 V CB 0.000 31.691 31.823 -0.219 0.000 1.184 524 V HN 0.000 nan 8.190 nan 0.000 0.556