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 3m07_1_A DATA FIRST_RESID 6 DATA SEQUENCE FCKSWGAEYI AADVVRFRLW ATGQQKVMLR LAGKDQEMQA NGDGWFTLDV DATA SEQUENCE AGVTPGTEYN FVLSDGMVVP DPASRAQKTD VNGPSYVVDP GSYTWRNTGW DATA SEQUENCE KGSRWEQAVV YEMHTGTFTP EGTFRAAIAK LPYLAELGVT VIEVMPVAQF DATA SEQUENCE GGERGWGYDG VLLYAPHSAY GTPDDFKAFI DAAHGYGLSV VLDIVLNHFG DATA SEQUENCE PEGNYLPLLA PAFFHKERMT PWGNGIAYDV DAVRRYIIEA PLYWLTEYHL DATA SEQUENCE DGLRFDAIDQ IEDSSARHVL VEIAQRIRED ITDRPIHLTT EDSRNIISLH DATA SEQUENCE PRDQDGNAPL FTAEWNDDFH NAVHVFATGE TQAYYNDFAD APEKHLARAL DATA SEQUENCE AEGFAYQGEI SPQTGEPRGV KSTGQPPVAF VDFIQNHDQV GNRAQGDRLI DATA SEQUENCE TLAGAERTKV LLATLLLSPH IPLLFMGEEY GESRPFLFFT DFHGDLARAV DATA SEQUENCE REGRAKEFAD HAGENVPDPN APETFQRSKL NWKQQHSEEG KAWLAFTREL DATA SEQUENCE LLLRQKHIVP LLSAARESSG TVLQTAPGFI AVSWRFPGGT LSLALNISAT DATA SEQUENCE TVLLPDLPGK TLFAWPNEST GSLSQHSLIV RLAQ 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 6 F HA 0.000 nan 4.527 nan 0.000 0.279 6 F C 0.000 175.907 175.800 0.179 0.000 0.967 6 F CA 0.000 58.085 58.000 0.142 0.000 1.383 6 F CB 0.000 39.114 39.000 0.190 0.000 1.145 7 C N 7.060 125.939 119.300 -0.702 0.000 2.394 7 C HA 0.568 5.028 4.460 -0.001 0.000 0.362 7 C C -0.279 174.398 174.990 -0.522 0.000 1.268 7 C CA -0.339 58.399 59.018 -0.467 0.000 1.828 7 C CB -0.364 27.173 27.740 -0.338 0.000 2.442 7 C HN 0.684 nan 8.230 nan 0.000 0.549 8 K N 3.794 124.132 120.400 -0.103 0.000 2.123 8 K HA 0.291 4.610 4.320 -0.001 0.000 0.259 8 K C 0.934 177.560 176.600 0.044 0.000 0.960 8 K CA -0.180 56.154 56.287 0.078 0.000 0.872 8 K CB 1.925 34.465 32.500 0.066 0.000 1.079 8 K HN 0.765 nan 8.250 nan 0.000 0.440 9 S N 1.097 116.887 115.700 0.150 0.000 2.395 9 S HA -0.022 4.448 4.470 -0.001 0.000 0.225 9 S C 0.051 174.742 174.600 0.152 0.000 1.027 9 S CA 0.866 59.103 58.200 0.061 0.000 0.965 9 S CB 0.029 63.335 63.200 0.177 0.000 0.812 9 S HN 0.435 nan 8.310 nan 0.000 0.482 10 W N 0.508 121.897 121.300 0.148 0.000 2.578 10 W HA 0.622 5.281 4.660 -0.001 0.000 0.353 10 W C 0.732 177.267 176.519 0.028 0.000 1.088 10 W CA 0.388 57.869 57.345 0.227 0.000 1.235 10 W CB 0.467 30.082 29.460 0.258 0.000 1.362 10 W HN 0.386 nan 8.180 nan 0.000 0.592 11 G N 0.211 109.245 108.800 0.389 0.000 2.548 11 G HA2 0.348 4.308 3.960 -0.001 0.000 0.208 11 G HA3 0.348 4.308 3.960 -0.001 0.000 0.208 11 G C -1.468 173.508 174.900 0.128 0.000 1.308 11 G CA -0.489 44.756 45.100 0.242 0.000 0.924 11 G HN 1.224 nan 8.290 nan 0.000 0.540 12 A N 0.028 122.832 122.820 -0.027 0.000 2.291 12 A HA 0.794 5.114 4.320 -0.001 0.000 0.311 12 A C -0.150 177.229 177.584 -0.342 0.000 1.224 12 A CA -0.016 51.783 52.037 -0.396 0.000 0.821 12 A CB 1.022 19.645 19.000 -0.629 0.000 1.172 12 A HN 0.672 nan 8.150 nan 0.000 0.494 13 E N 1.041 121.013 120.200 -0.380 0.000 2.293 13 E HA 0.323 4.673 4.350 -0.001 0.000 0.270 13 E C -1.607 174.811 176.600 -0.304 0.000 0.879 13 E CA -0.649 55.614 56.400 -0.227 0.000 0.756 13 E CB 1.835 31.477 29.700 -0.097 0.000 1.208 13 E HN 0.654 nan 8.360 nan 0.000 0.428 14 Y N 2.285 122.522 120.300 -0.105 0.000 2.605 14 Y HA 0.016 4.566 4.550 -0.001 0.000 0.336 14 Y C 1.489 177.350 175.900 -0.066 0.000 1.111 14 Y CA 0.296 58.349 58.100 -0.079 0.000 1.422 14 Y CB 0.065 38.502 38.460 -0.038 0.000 1.193 14 Y HN 0.472 nan 8.280 nan 0.000 0.526 15 I N -0.027 120.564 120.570 0.035 0.000 3.956 15 I HA 0.609 4.778 4.170 -0.001 0.000 0.333 15 I C 0.638 176.780 176.117 0.041 0.000 1.302 15 I CA 0.032 61.340 61.300 0.014 0.000 1.122 15 I CB 0.155 38.137 38.000 -0.029 0.000 1.013 15 I HN 0.434 nan 8.210 nan 0.000 0.405 16 A N 0.680 123.555 122.820 0.092 0.000 2.581 16 A HA 0.786 5.105 4.320 -0.001 0.000 0.290 16 A C 0.674 178.328 177.584 0.117 0.000 1.119 16 A CA -0.089 51.994 52.037 0.076 0.000 0.670 16 A CB 0.506 19.539 19.000 0.055 0.000 1.280 16 A HN 0.082 nan 8.150 nan 0.000 0.425 17 A N -0.185 122.669 122.820 0.056 0.000 2.070 17 A HA 0.030 4.349 4.320 -0.001 0.000 0.220 17 A C 0.951 178.573 177.584 0.064 0.000 1.159 17 A CA 2.286 54.331 52.037 0.013 0.000 0.656 17 A CB -0.414 18.581 19.000 -0.008 0.000 0.800 17 A HN 0.953 nan 8.150 nan 0.000 0.453 18 D N -1.817 118.658 120.400 0.125 0.000 2.540 18 D HA 0.252 4.891 4.640 -0.001 0.000 0.229 18 D C -0.450 175.944 176.300 0.158 0.000 1.250 18 D CA 0.006 54.094 54.000 0.146 0.000 0.817 18 D CB -0.039 40.808 40.800 0.079 0.000 1.060 18 D HN 0.076 nan 8.370 nan 0.000 0.508 19 V N 0.926 120.941 119.914 0.167 0.000 2.623 19 V HA 0.367 4.487 4.120 -0.001 0.000 0.304 19 V C -0.301 175.749 176.094 -0.073 0.000 1.054 19 V CA -0.923 61.410 62.300 0.056 0.000 0.882 19 V CB 2.357 34.201 31.823 0.035 0.000 1.002 19 V HN -0.054 nan 8.190 nan 0.000 0.424 20 V N 4.836 124.613 119.914 -0.228 0.000 2.398 20 V HA 0.524 4.643 4.120 -0.001 0.000 0.286 20 V C 0.177 176.038 176.094 -0.388 0.000 1.026 20 V CA -0.686 61.289 62.300 -0.542 0.000 0.868 20 V CB 1.719 33.029 31.823 -0.855 0.000 0.982 20 V HN 0.881 nan 8.190 nan 0.000 0.443 21 R N 4.037 124.305 120.500 -0.386 0.000 2.265 21 R HA 0.524 4.863 4.340 -0.001 0.000 0.319 21 R C -1.530 174.567 176.300 -0.340 0.000 1.006 21 R CA -0.337 55.639 56.100 -0.207 0.000 0.880 21 R CB 0.642 30.871 30.300 -0.118 0.000 1.077 21 R HN 0.532 nan 8.270 nan 0.000 0.454 22 F N 3.689 123.627 119.950 -0.021 0.000 2.427 22 F HA 0.522 5.048 4.527 -0.001 0.000 0.346 22 F C 0.679 176.569 175.800 0.151 0.000 1.120 22 F CA -0.610 57.434 58.000 0.072 0.000 1.033 22 F CB 1.521 40.582 39.000 0.101 0.000 1.126 22 F HN 0.299 nan 8.300 nan 0.000 0.462 23 R N 2.315 123.016 120.500 0.335 0.000 2.892 23 R HA 0.852 5.192 4.340 -0.001 0.000 0.265 23 R C -1.892 174.553 176.300 0.242 0.000 1.025 23 R CA -1.381 54.881 56.100 0.270 0.000 0.982 23 R CB 2.698 33.105 30.300 0.178 0.000 1.185 23 R HN 0.598 nan 8.270 nan 0.000 0.484 24 L N 0.740 122.050 121.223 0.145 0.000 2.591 24 L HA 0.374 4.713 4.340 -0.001 0.000 0.257 24 L C -2.107 174.617 176.870 -0.243 0.000 0.935 24 L CA -0.425 54.340 54.840 -0.125 0.000 0.873 24 L CB 1.837 43.589 42.059 -0.512 0.000 1.397 24 L HN 0.706 nan 8.230 nan 0.000 0.414 25 W N 5.591 126.222 121.300 -1.115 0.000 2.376 25 W HA 0.752 5.411 4.660 -0.001 0.000 0.312 25 W C -0.782 175.468 176.519 -0.448 0.000 1.060 25 W CA -0.322 56.296 57.345 -1.211 0.000 1.221 25 W CB 1.774 30.009 29.460 -2.041 0.000 1.281 25 W HN 0.766 nan 8.180 nan 0.000 0.456 26 A N 4.650 127.128 122.820 -0.570 0.000 3.156 26 A HA 0.267 4.586 4.320 -0.001 0.000 0.311 26 A C 0.780 178.097 177.584 -0.446 0.000 1.129 26 A CA 0.094 51.871 52.037 -0.433 0.000 0.809 26 A CB -0.330 18.510 19.000 -0.267 0.000 1.257 26 A HN 0.715 nan 8.150 nan 0.000 0.491 27 T N -2.087 111.954 114.554 -0.855 0.000 2.962 27 T HA -0.042 4.307 4.350 -0.001 0.000 0.270 27 T C 1.627 176.151 174.700 -0.294 0.000 1.088 27 T CA 1.731 63.482 62.100 -0.582 0.000 1.127 27 T CB -0.095 68.361 68.868 -0.688 0.000 0.883 27 T HN 0.795 nan 8.240 nan 0.000 0.493 28 G N 0.557 109.196 108.800 -0.268 0.000 2.920 28 G HA2 0.156 4.116 3.960 -0.001 0.000 0.208 28 G HA3 0.156 4.116 3.960 -0.001 0.000 0.208 28 G C 0.409 175.241 174.900 -0.114 0.000 1.159 28 G CA -0.187 44.821 45.100 -0.152 0.000 0.784 28 G HN 0.419 nan 8.290 nan 0.000 0.535 29 Q N -0.399 119.334 119.800 -0.111 0.000 2.342 29 Q HA 0.297 4.636 4.340 -0.001 0.000 0.267 29 Q C 0.156 176.172 176.000 0.026 0.000 1.038 29 Q CA -0.725 55.023 55.803 -0.091 0.000 0.832 29 Q CB 1.943 30.549 28.738 -0.220 0.000 1.323 29 Q HN 0.097 nan 8.270 nan 0.000 0.448 30 Q N 1.355 121.163 119.800 0.014 0.000 2.204 30 Q HA -0.019 4.321 4.340 -0.001 0.000 0.198 30 Q C -0.381 175.710 176.000 0.152 0.000 0.946 30 Q CA 1.208 57.059 55.803 0.081 0.000 0.859 30 Q CB 0.618 29.372 28.738 0.026 0.000 0.946 30 Q HN 0.592 nan 8.270 nan 0.000 0.474 31 K N -1.395 119.001 120.400 -0.008 0.000 2.508 31 K HA 0.583 4.902 4.320 -0.001 0.000 0.260 31 K C -1.544 174.823 176.600 -0.388 0.000 0.949 31 K CA -0.811 55.427 56.287 -0.081 0.000 0.834 31 K CB 1.960 34.453 32.500 -0.012 0.000 1.365 31 K HN -0.198 nan 8.250 nan 0.000 0.437 32 V N 2.897 122.480 119.914 -0.551 0.000 2.760 32 V HA 0.549 4.668 4.120 -0.001 0.000 0.309 32 V C -0.867 175.112 176.094 -0.192 0.000 1.077 32 V CA -0.854 61.162 62.300 -0.474 0.000 0.910 32 V CB 1.848 33.187 31.823 -0.806 0.000 1.008 32 V HN 0.803 nan 8.190 nan 0.000 0.424 33 M N 4.145 123.698 119.600 -0.080 0.000 2.472 33 M HA 0.563 5.042 4.480 -0.001 0.000 0.331 33 M C -0.801 175.545 176.300 0.077 0.000 1.170 33 M CA -0.829 54.466 55.300 -0.009 0.000 1.009 33 M CB 1.714 34.300 32.600 -0.022 0.000 1.672 33 M HN 0.532 nan 8.290 nan 0.000 0.453 34 L N 2.946 124.195 121.223 0.044 0.000 2.264 34 L HA 0.422 4.762 4.340 -0.001 0.000 0.289 34 L C -0.034 176.770 176.870 -0.110 0.000 1.044 34 L CA 0.058 54.879 54.840 -0.033 0.000 0.807 34 L CB 0.572 42.512 42.059 -0.199 0.000 1.192 34 L HN 0.719 nan 8.230 nan 0.000 0.425 35 R N 5.050 125.479 120.500 -0.119 0.000 2.204 35 R HA 0.483 4.823 4.340 -0.001 0.000 0.341 35 R C -1.519 174.718 176.300 -0.106 0.000 1.035 35 R CA -0.641 55.401 56.100 -0.098 0.000 0.887 35 R CB 0.510 30.763 30.300 -0.078 0.000 1.114 35 R HN 0.663 nan 8.270 nan 0.000 0.473 36 L N 4.446 125.605 121.223 -0.106 0.000 2.305 36 L HA 0.430 4.769 4.340 -0.001 0.000 0.284 36 L C 0.016 176.872 176.870 -0.023 0.000 1.013 36 L CA 0.371 55.162 54.840 -0.083 0.000 0.819 36 L CB 1.449 43.411 42.059 -0.162 0.000 1.227 36 L HN 0.856 nan 8.230 nan 0.000 0.417 37 A N 4.107 126.938 122.820 0.018 0.000 2.596 37 A HA 0.052 4.372 4.320 -0.001 0.000 0.300 37 A C 1.555 179.137 177.584 -0.002 0.000 1.495 37 A CA 1.465 53.513 52.037 0.019 0.000 0.769 37 A CB -2.137 16.879 19.000 0.027 0.000 1.047 37 A HN 2.418 nan 8.150 nan 0.000 0.436 38 G N -1.805 106.986 108.800 -0.015 0.000 2.212 38 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.266 38 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.266 38 G C 0.100 174.985 174.900 -0.026 0.000 0.978 38 G CA 1.071 46.158 45.100 -0.022 0.000 0.632 38 G HN 1.238 nan 8.290 nan 0.000 0.537 39 K N 0.992 121.374 120.400 -0.029 0.000 2.244 39 K HA 0.487 4.807 4.320 -0.001 0.000 0.260 39 K C -1.127 175.446 176.600 -0.044 0.000 0.951 39 K CA -0.965 55.304 56.287 -0.030 0.000 0.826 39 K CB 1.447 33.934 32.500 -0.023 0.000 1.108 39 K HN 0.045 nan 8.250 nan 0.000 0.433 40 D N 2.425 122.803 120.400 -0.038 0.000 2.313 40 D HA 0.184 4.823 4.640 -0.001 0.000 0.247 40 D C -0.396 175.881 176.300 -0.038 0.000 1.094 40 D CA 0.140 54.115 54.000 -0.041 0.000 0.925 40 D CB 0.979 41.760 40.800 -0.032 0.000 1.188 40 D HN 0.277 nan 8.370 nan 0.000 0.430 41 Q N 0.700 120.476 119.800 -0.041 0.000 2.281 41 Q HA 0.190 4.529 4.340 -0.001 0.000 0.263 41 Q C -0.981 175.012 176.000 -0.012 0.000 0.989 41 Q CA -0.591 55.195 55.803 -0.029 0.000 0.852 41 Q CB 2.540 31.251 28.738 -0.045 0.000 1.337 41 Q HN 0.401 nan 8.270 nan 0.000 0.418 42 E N 3.410 123.613 120.200 0.005 0.000 2.360 42 E HA 0.182 4.531 4.350 -0.001 0.000 0.269 42 E C -0.723 175.910 176.600 0.054 0.000 1.022 42 E CA 0.059 56.473 56.400 0.023 0.000 0.887 42 E CB 0.744 30.460 29.700 0.027 0.000 0.990 42 E HN 0.444 nan 8.360 nan 0.000 0.426 43 M N 3.005 122.656 119.600 0.084 0.000 2.342 43 M HA 0.124 4.603 4.480 -0.001 0.000 0.332 43 M C -0.139 176.294 176.300 0.221 0.000 1.166 43 M CA -0.567 54.826 55.300 0.154 0.000 1.086 43 M CB 1.376 34.087 32.600 0.184 0.000 1.541 43 M HN 0.428 nan 8.290 nan 0.000 0.462 44 Q N 1.813 121.725 119.800 0.186 0.000 2.294 44 Q HA 0.462 4.802 4.340 -0.001 0.000 0.257 44 Q C -0.992 175.061 176.000 0.088 0.000 0.955 44 Q CA -0.131 55.750 55.803 0.129 0.000 0.936 44 Q CB 1.216 29.994 28.738 0.067 0.000 1.188 44 Q HN 0.699 nan 8.270 nan 0.000 0.420 45 A N 4.804 127.612 122.820 -0.021 0.000 2.395 45 A HA 0.239 4.559 4.320 -0.001 0.000 0.286 45 A C -0.229 177.215 177.584 -0.234 0.000 1.193 45 A CA -0.434 51.345 52.037 -0.432 0.000 0.852 45 A CB -0.262 18.487 19.000 -0.419 0.000 1.118 45 A HN 0.857 nan 8.150 nan 0.000 0.524 46 N N 2.960 121.540 118.700 -0.200 0.000 2.535 46 N HA 0.398 5.137 4.740 -0.001 0.000 0.294 46 N C 0.222 175.705 175.510 -0.044 0.000 1.408 46 N CA 0.312 53.312 53.050 -0.083 0.000 0.927 46 N CB 0.200 38.661 38.487 -0.044 0.000 1.276 46 N HN 1.408 nan 8.380 nan 0.000 0.505 47 G N 0.927 109.686 108.800 -0.069 0.000 2.777 47 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.686 47 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.686 47 G C -0.506 174.456 174.900 0.104 0.000 1.177 47 G CA -0.302 44.798 45.100 -0.001 0.000 0.775 47 G HN 0.257 nan 8.290 nan 0.000 0.613 48 D N -0.548 119.907 120.400 0.092 0.000 2.945 48 D HA -0.085 4.554 4.640 -0.001 0.000 0.225 48 D C 1.901 178.313 176.300 0.186 0.000 1.158 48 D CA 3.441 57.553 54.000 0.185 0.000 0.805 48 D CB -1.322 39.659 40.800 0.302 0.000 1.098 48 D HN 2.494 nan 8.370 nan 0.000 0.426 49 G N -1.638 107.128 108.800 -0.057 0.000 2.176 49 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.253 49 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.253 49 G C 0.130 174.815 174.900 -0.359 0.000 0.979 49 G CA 0.183 45.097 45.100 -0.309 0.000 0.641 49 G HN 0.298 nan 8.290 nan 0.000 0.530 50 W N -0.097 121.137 121.300 -0.112 0.000 2.218 50 W HA 0.689 5.348 4.660 -0.001 0.000 0.326 50 W C 0.283 176.560 176.519 -0.405 0.000 1.276 50 W CA -0.345 56.938 57.345 -0.103 0.000 1.210 50 W CB 0.400 29.821 29.460 -0.065 0.000 1.143 50 W HN 0.026 nan 8.180 nan 0.000 0.563 51 F N 1.559 121.608 119.950 0.165 0.000 2.551 51 F HA 0.609 5.135 4.527 -0.001 0.000 0.316 51 F C 0.271 176.135 175.800 0.106 0.000 1.089 51 F CA -0.783 57.260 58.000 0.070 0.000 0.915 51 F CB 2.049 41.025 39.000 -0.039 0.000 1.186 51 F HN -0.018 nan 8.300 nan 0.000 0.456 52 T N 3.410 118.112 114.554 0.246 0.000 2.900 52 T HA 0.714 5.063 4.350 -0.001 0.000 0.303 52 T C -1.938 172.869 174.700 0.177 0.000 1.142 52 T CA -0.639 61.573 62.100 0.187 0.000 1.007 52 T CB 2.161 71.085 68.868 0.092 0.000 1.156 52 T HN 0.442 nan 8.240 nan 0.000 0.490 53 L N 2.310 123.653 121.223 0.200 0.000 2.588 53 L HA 0.535 4.874 4.340 -0.001 0.000 0.263 53 L C -1.911 175.087 176.870 0.215 0.000 0.935 53 L CA -0.442 54.504 54.840 0.177 0.000 0.891 53 L CB 2.043 44.194 42.059 0.153 0.000 1.318 53 L HN 0.501 nan 8.230 nan 0.000 0.409 54 D N 3.669 124.149 120.400 0.133 0.000 2.198 54 D HA 0.614 5.253 4.640 -0.001 0.000 0.245 54 D C -0.799 175.573 176.300 0.120 0.000 1.079 54 D CA 0.112 54.177 54.000 0.109 0.000 0.854 54 D CB 2.298 43.127 40.800 0.049 0.000 1.148 54 D HN 0.240 nan 8.370 nan 0.000 0.456 55 V N 1.529 121.531 119.914 0.147 0.000 2.483 55 V HA 0.620 4.740 4.120 -0.001 0.000 0.297 55 V C 0.211 176.355 176.094 0.085 0.000 1.027 55 V CA -1.095 61.280 62.300 0.125 0.000 0.855 55 V CB 1.563 33.493 31.823 0.178 0.000 0.995 55 V HN 0.681 nan 8.190 nan 0.000 0.424 56 A N 3.196 126.054 122.820 0.063 0.000 2.371 56 A HA 0.679 4.999 4.320 -0.001 0.000 0.257 56 A C 1.417 179.042 177.584 0.068 0.000 1.089 56 A CA 0.576 52.648 52.037 0.059 0.000 0.794 56 A CB 0.306 19.334 19.000 0.047 0.000 1.029 56 A HN 2.232 nan 8.150 nan 0.000 0.488 57 G N 0.320 109.169 108.800 0.081 0.000 2.199 57 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.254 57 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.254 57 G C 0.309 175.275 174.900 0.110 0.000 0.982 57 G CA 0.104 45.256 45.100 0.086 0.000 0.632 57 G HN 1.484 nan 8.290 nan 0.000 0.529 58 V N 3.047 123.031 119.914 0.117 0.000 2.493 58 V HA 0.402 4.521 4.120 -0.001 0.000 0.292 58 V C 1.345 177.560 176.094 0.202 0.000 1.016 58 V CA 0.806 63.183 62.300 0.129 0.000 1.097 58 V CB 0.387 32.268 31.823 0.096 0.000 0.947 58 V HN 0.754 nan 8.190 nan 0.000 0.479 59 T N 4.746 119.407 114.554 0.178 0.000 2.922 59 T HA 0.489 4.838 4.350 -0.001 0.000 0.285 59 T C -2.570 172.271 174.700 0.235 0.000 1.005 59 T CA -2.181 60.036 62.100 0.195 0.000 1.061 59 T CB 1.417 70.355 68.868 0.116 0.000 1.007 59 T HN 0.430 nan 8.240 nan 0.000 0.502 60 P HA 0.317 nan 4.420 nan 0.000 0.266 60 P C 1.139 178.545 177.300 0.176 0.000 1.195 60 P CA 0.968 64.221 63.100 0.255 0.000 0.768 60 P CB 0.274 32.088 31.700 0.190 0.000 0.838 61 G N 1.273 110.203 108.800 0.218 0.000 2.195 61 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.246 61 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.246 61 G C 0.295 175.248 174.900 0.088 0.000 0.984 61 G CA -0.008 45.111 45.100 0.032 0.000 0.633 61 G HN 0.595 nan 8.290 nan 0.000 0.525 62 T N 2.242 116.908 114.554 0.187 0.000 2.853 62 T HA 0.434 4.784 4.350 -0.001 0.000 0.298 62 T C 0.600 175.476 174.700 0.293 0.000 0.978 62 T CA 0.728 62.941 62.100 0.189 0.000 1.152 62 T CB 0.863 69.841 68.868 0.182 0.000 0.914 62 T HN 0.724 nan 8.240 nan 0.000 0.539 63 E N 3.407 123.734 120.200 0.210 0.000 2.301 63 E HA 0.502 4.851 4.350 -0.001 0.000 0.275 63 E C -0.687 176.039 176.600 0.210 0.000 1.030 63 E CA -0.906 55.617 56.400 0.207 0.000 0.852 63 E CB 0.703 30.460 29.700 0.095 0.000 1.060 63 E HN 0.767 nan 8.360 nan 0.000 0.401 64 Y N 0.236 120.529 120.300 -0.011 0.000 2.638 64 Y HA 0.635 5.184 4.550 -0.001 0.000 0.335 64 Y C -1.553 174.220 175.900 -0.210 0.000 1.155 64 Y CA -1.204 56.812 58.100 -0.140 0.000 1.046 64 Y CB 1.579 39.920 38.460 -0.198 0.000 1.303 64 Y HN 0.623 nan 8.280 nan 0.000 0.460 65 N N -0.111 118.421 118.700 -0.280 0.000 2.732 65 N HA 0.614 5.353 4.740 -0.001 0.000 0.259 65 N C -2.144 173.127 175.510 -0.398 0.000 1.402 65 N CA -0.717 52.109 53.050 -0.374 0.000 0.829 65 N CB 1.864 40.227 38.487 -0.205 0.000 1.495 65 N HN 0.445 nan 8.380 nan 0.000 0.511 66 F N 0.486 120.431 119.950 -0.008 0.000 2.425 66 F HA 0.621 5.147 4.527 -0.001 0.000 0.331 66 F C -0.081 175.663 175.800 -0.092 0.000 1.085 66 F CA -0.771 57.210 58.000 -0.032 0.000 1.028 66 F CB 1.289 40.285 39.000 -0.008 0.000 1.177 66 F HN -0.022 nan 8.300 nan 0.000 0.487 67 V N 4.210 124.179 119.914 0.092 0.000 2.487 67 V HA 0.396 4.515 4.120 -0.001 0.000 0.298 67 V C -0.053 176.006 176.094 -0.057 0.000 1.028 67 V CA -0.896 61.395 62.300 -0.015 0.000 0.860 67 V CB 1.511 33.314 31.823 -0.033 0.000 0.991 67 V HN 0.554 nan 8.190 nan 0.000 0.427 68 L N 2.470 123.643 121.223 -0.083 0.000 2.456 68 L HA 0.314 4.654 4.340 -0.001 0.000 0.257 68 L C 1.879 178.687 176.870 -0.104 0.000 1.162 68 L CA -0.123 54.646 54.840 -0.118 0.000 0.808 68 L CB 0.931 42.924 42.059 -0.110 0.000 1.136 68 L HN 0.711 nan 8.230 nan 0.000 0.466 69 S N 0.622 116.253 115.700 -0.116 0.000 2.399 69 S HA -0.255 4.215 4.470 -0.001 0.000 0.235 69 S C 1.422 175.986 174.600 -0.061 0.000 1.063 69 S CA 2.078 60.228 58.200 -0.084 0.000 1.070 69 S CB -0.381 62.775 63.200 -0.074 0.000 0.904 69 S HN 0.936 nan 8.310 nan 0.000 0.456 70 D N -0.552 119.812 120.400 -0.060 0.000 2.289 70 D HA 0.083 4.723 4.640 -0.001 0.000 0.207 70 D C 1.331 177.603 176.300 -0.047 0.000 0.966 70 D CA 1.176 55.147 54.000 -0.047 0.000 0.868 70 D CB -0.192 40.582 40.800 -0.044 0.000 0.943 70 D HN 0.549 nan 8.370 nan 0.000 0.514 71 G N 0.513 109.279 108.800 -0.056 0.000 2.205 71 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.180 71 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.180 71 G C 0.081 174.941 174.900 -0.066 0.000 1.004 71 G CA 0.092 45.159 45.100 -0.054 0.000 0.670 71 G HN 0.360 nan 8.290 nan 0.000 0.496 72 M N 2.305 121.859 119.600 -0.077 0.000 2.238 72 M HA 0.553 5.032 4.480 -0.001 0.000 0.350 72 M C 0.157 176.382 176.300 -0.126 0.000 1.321 72 M CA 0.052 55.289 55.300 -0.105 0.000 1.097 72 M CB 1.045 33.577 32.600 -0.112 0.000 1.713 72 M HN 0.097 nan 8.290 nan 0.000 0.455 73 V N 7.267 127.092 119.914 -0.149 0.000 2.370 73 V HA 0.634 4.754 4.120 -0.001 0.000 0.279 73 V C -0.398 175.545 176.094 -0.251 0.000 1.029 73 V CA -0.562 61.648 62.300 -0.149 0.000 0.870 73 V CB 0.935 32.688 31.823 -0.117 0.000 0.984 73 V HN 0.788 nan 8.190 nan 0.000 0.451 74 V N 3.953 123.741 119.914 -0.211 0.000 2.914 74 V HA 0.785 4.904 4.120 -0.001 0.000 0.314 74 V C -2.629 173.410 176.094 -0.093 0.000 1.084 74 V CA -2.567 59.556 62.300 -0.294 0.000 0.963 74 V CB 2.264 33.913 31.823 -0.289 0.000 1.025 74 V HN 0.638 nan 8.190 nan 0.000 0.432 75 P HA 0.096 nan 4.420 nan 0.000 0.271 75 P C -0.739 176.640 177.300 0.132 0.000 1.233 75 P CA 0.129 63.222 63.100 -0.011 0.000 0.789 75 P CB 0.559 32.298 31.700 0.065 0.000 0.951 76 D N 1.859 122.303 120.400 0.072 0.000 2.371 76 D HA 0.035 4.675 4.640 -0.001 0.000 0.256 76 D C -1.199 175.318 176.300 0.361 0.000 1.193 76 D CA -2.068 52.177 54.000 0.409 0.000 0.881 76 D CB 0.422 41.453 40.800 0.384 0.000 1.143 76 D HN 0.157 nan 8.370 nan 0.000 0.473 77 P HA -0.085 nan 4.420 nan 0.000 0.220 77 P C 0.399 177.960 177.300 0.436 0.000 1.148 77 P CA 0.731 64.031 63.100 0.334 0.000 0.803 77 P CB 0.210 32.028 31.700 0.197 0.000 0.782 78 A N -0.552 122.512 122.820 0.406 0.000 2.577 78 A HA 0.240 4.559 4.320 -0.001 0.000 0.280 78 A C 0.893 178.499 177.584 0.038 0.000 1.331 78 A CA -0.204 51.891 52.037 0.097 0.000 0.935 78 A CB -0.859 18.071 19.000 -0.117 0.000 1.082 78 A HN 0.129 nan 8.150 nan 0.000 0.525 79 S N -0.274 115.526 115.700 0.166 0.000 2.573 79 S HA 0.023 4.492 4.470 -0.001 0.000 0.297 79 S C 1.263 175.895 174.600 0.054 0.000 1.280 79 S CA 0.064 58.325 58.200 0.103 0.000 1.061 79 S CB 0.326 63.547 63.200 0.036 0.000 0.812 79 S HN 0.496 nan 8.310 nan 0.000 0.500 80 R N 2.442 122.959 120.500 0.027 0.000 2.276 80 R HA 0.486 4.825 4.340 -0.001 0.000 0.196 80 R C 0.222 176.530 176.300 0.012 0.000 0.961 80 R CA 0.796 56.927 56.100 0.051 0.000 1.024 80 R CB -0.286 30.073 30.300 0.099 0.000 0.940 80 R HN 0.687 nan 8.270 nan 0.000 0.480 81 A N -0.306 122.412 122.820 -0.169 0.000 2.583 81 A HA 0.457 4.776 4.320 -0.001 0.000 0.298 81 A C -1.529 175.770 177.584 -0.474 0.000 1.055 81 A CA -0.891 50.932 52.037 -0.356 0.000 0.714 81 A CB 1.118 19.710 19.000 -0.681 0.000 1.277 81 A HN -0.076 nan 8.150 nan 0.000 0.406 82 Q N 1.482 121.139 119.800 -0.238 0.000 2.245 82 Q HA 0.299 4.639 4.340 -0.001 0.000 0.256 82 Q C 0.874 176.949 176.000 0.124 0.000 0.942 82 Q CA -0.547 55.196 55.803 -0.101 0.000 0.896 82 Q CB 2.180 30.860 28.738 -0.097 0.000 1.272 82 Q HN 0.898 nan 8.270 nan 0.000 0.442 83 K N 1.078 121.617 120.400 0.232 0.000 2.009 83 K HA -0.188 4.131 4.320 -0.001 0.000 0.210 83 K C 1.150 177.826 176.600 0.128 0.000 1.049 83 K CA 2.326 58.774 56.287 0.267 0.000 0.929 83 K CB 0.335 32.929 32.500 0.156 0.000 0.714 83 K HN 0.831 nan 8.250 nan 0.000 0.440 84 T N -2.154 112.433 114.554 0.055 0.000 2.977 84 T HA 0.056 4.405 4.350 -0.001 0.000 0.152 84 T C 0.118 174.803 174.700 -0.024 0.000 0.867 84 T CA -0.123 61.989 62.100 0.020 0.000 0.917 84 T CB -0.396 68.479 68.868 0.012 0.000 2.051 84 T HN 0.299 nan 8.240 nan 0.000 0.350 85 D N 0.345 120.728 120.400 -0.029 0.000 2.478 85 D HA 0.409 5.048 4.640 -0.001 0.000 0.263 85 D C 1.361 177.622 176.300 -0.065 0.000 1.153 85 D CA -0.706 53.262 54.000 -0.053 0.000 1.038 85 D CB 0.775 41.573 40.800 -0.004 0.000 1.120 85 D HN 0.158 nan 8.370 nan 0.000 0.564 86 V N 0.223 120.100 119.914 -0.061 0.000 2.759 86 V HA -0.151 3.968 4.120 -0.001 0.000 0.256 86 V C 0.992 177.125 176.094 0.064 0.000 1.080 86 V CA 1.551 63.835 62.300 -0.027 0.000 1.101 86 V CB -0.750 31.074 31.823 0.001 0.000 0.698 86 V HN 0.446 nan 8.190 nan 0.000 0.477 87 N N 0.113 118.862 118.700 0.082 0.000 2.373 87 N HA 0.102 4.841 4.740 -0.001 0.000 0.181 87 N C 0.859 176.389 175.510 0.033 0.000 1.082 87 N CA 0.773 53.900 53.050 0.128 0.000 0.885 87 N CB 0.375 38.948 38.487 0.142 0.000 0.977 87 N HN 0.552 nan 8.380 nan 0.000 0.462 88 G N 1.496 110.296 108.800 0.000 0.000 2.510 88 G HA2 0.338 4.298 3.960 -0.001 0.000 0.280 88 G HA3 0.338 4.298 3.960 -0.001 0.000 0.280 88 G C -2.605 172.253 174.900 -0.069 0.000 1.386 88 G CA -0.808 44.273 45.100 -0.031 0.000 1.047 88 G HN -0.054 nan 8.290 nan 0.000 0.527 89 P HA 0.203 nan 4.420 nan 0.000 0.269 89 P C -0.259 176.948 177.300 -0.156 0.000 1.209 89 P CA -0.027 62.995 63.100 -0.129 0.000 0.776 89 P CB 0.997 32.663 31.700 -0.057 0.000 0.876 90 S N 1.582 117.057 115.700 -0.375 0.000 2.669 90 S HA 0.569 5.038 4.470 -0.001 0.000 0.270 90 S C -0.444 174.012 174.600 -0.240 0.000 1.225 90 S CA -0.213 57.723 58.200 -0.440 0.000 0.991 90 S CB 0.157 62.887 63.200 -0.783 0.000 0.987 90 S HN 0.483 nan 8.310 nan 0.000 0.552 91 Y N -2.150 118.141 120.300 -0.016 0.000 2.545 91 Y HA 0.728 5.278 4.550 -0.001 0.000 0.348 91 Y C -0.953 175.172 175.900 0.375 0.000 1.002 91 Y CA -1.594 56.635 58.100 0.214 0.000 1.039 91 Y CB 0.038 38.581 38.460 0.137 0.000 1.271 91 Y HN 0.262 nan 8.280 nan 0.000 0.467 92 V N 3.732 123.998 119.914 0.586 0.000 2.521 92 V HA 0.229 4.348 4.120 -0.001 0.000 0.286 92 V C -0.004 176.328 176.094 0.397 0.000 1.034 92 V CA -0.428 62.081 62.300 0.348 0.000 1.045 92 V CB 0.534 32.467 31.823 0.183 0.000 0.974 92 V HN 0.673 nan 8.190 nan 0.000 0.480 93 V N 4.172 124.265 119.914 0.299 0.000 2.472 93 V HA 0.315 4.434 4.120 -0.001 0.000 0.290 93 V C -0.038 176.250 176.094 0.324 0.000 1.037 93 V CA -0.656 61.831 62.300 0.312 0.000 0.908 93 V CB 1.958 33.917 31.823 0.228 0.000 0.985 93 V HN 0.910 nan 8.190 nan 0.000 0.454 94 D N 5.912 126.469 120.400 0.262 0.000 2.380 94 D HA 0.323 4.963 4.640 -0.001 0.000 0.230 94 D C -1.637 174.734 176.300 0.120 0.000 1.154 94 D CA -2.132 51.961 54.000 0.153 0.000 0.859 94 D CB 1.972 42.803 40.800 0.052 0.000 1.045 94 D HN 0.190 nan 8.370 nan 0.000 0.495 95 P HA -0.005 nan 4.420 nan 0.000 0.221 95 P C 0.999 178.358 177.300 0.098 0.000 1.145 95 P CA 0.796 63.961 63.100 0.108 0.000 0.795 95 P CB 0.351 32.128 31.700 0.128 0.000 0.775 96 G N -1.006 107.831 108.800 0.061 0.000 3.233 96 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.234 96 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.234 96 G C 1.332 176.249 174.900 0.028 0.000 1.137 96 G CA 0.402 45.536 45.100 0.057 0.000 0.763 96 G HN 0.317 nan 8.290 nan 0.000 0.549 97 S N -0.438 115.284 115.700 0.037 0.000 2.402 97 S HA -0.023 4.447 4.470 -0.001 0.000 0.229 97 S C 0.955 175.558 174.600 0.005 0.000 1.021 97 S CA 0.127 58.341 58.200 0.025 0.000 0.974 97 S CB -0.359 62.875 63.200 0.058 0.000 0.800 97 S HN 0.292 nan 8.310 nan 0.000 0.484 98 Y N 3.197 123.423 120.300 -0.124 0.000 2.359 98 Y HA 0.393 4.942 4.550 -0.001 0.000 0.334 98 Y C -0.284 175.460 175.900 -0.260 0.000 1.058 98 Y CA -0.406 57.536 58.100 -0.262 0.000 1.244 98 Y CB 0.627 38.797 38.460 -0.483 0.000 1.187 98 Y HN -0.008 nan 8.280 nan 0.000 0.510 99 T N 7.161 121.136 114.554 -0.965 0.000 2.747 99 T HA 0.096 4.446 4.350 -0.001 0.000 0.301 99 T C -0.800 173.358 174.700 -0.903 0.000 0.952 99 T CA -0.247 61.469 62.100 -0.641 0.000 0.983 99 T CB -0.395 68.244 68.868 -0.381 0.000 0.930 99 T HN 0.522 nan 8.240 nan 0.000 0.494 100 W N 3.120 124.191 121.300 -0.382 0.000 2.253 100 W HA 0.274 4.933 4.660 -0.001 0.000 0.322 100 W C 1.519 177.990 176.519 -0.081 0.000 1.342 100 W CA -0.647 56.629 57.345 -0.115 0.000 1.218 100 W CB 0.521 30.016 29.460 0.058 0.000 1.205 100 W HN 0.626 nan 8.180 nan 0.000 0.551 101 R N 1.391 121.995 120.500 0.173 0.000 2.123 101 R HA 0.034 4.374 4.340 -0.001 0.000 0.209 101 R C 0.401 176.793 176.300 0.153 0.000 1.078 101 R CA 0.457 56.615 56.100 0.097 0.000 1.028 101 R CB -0.005 30.310 30.300 0.025 0.000 0.939 101 R HN 0.342 nan 8.270 nan 0.000 0.463 102 N N 1.568 120.408 118.700 0.232 0.000 3.209 102 N HA 0.006 4.745 4.740 -0.001 0.000 0.309 102 N C 0.368 176.039 175.510 0.268 0.000 1.384 102 N CA 0.243 53.425 53.050 0.221 0.000 1.173 102 N CB 1.108 39.711 38.487 0.194 0.000 1.460 102 N HN 0.239 nan 8.380 nan 0.000 0.534 103 T N -4.074 110.608 114.554 0.213 0.000 3.072 103 T HA -0.026 4.323 4.350 -0.001 0.000 0.266 103 T C 1.774 176.534 174.700 0.101 0.000 1.127 103 T CA 0.620 62.815 62.100 0.159 0.000 1.107 103 T CB 0.010 68.951 68.868 0.121 0.000 0.910 103 T HN 0.241 nan 8.240 nan 0.000 0.513 104 G N 0.098 108.964 108.800 0.111 0.000 2.920 104 G HA2 0.058 4.018 3.960 -0.001 0.000 0.208 104 G HA3 0.058 4.018 3.960 -0.001 0.000 0.208 104 G C 0.295 175.238 174.900 0.071 0.000 1.159 104 G CA -0.771 44.367 45.100 0.064 0.000 0.784 104 G HN 0.661 nan 8.290 nan 0.000 0.535 105 W N 1.481 122.737 121.300 -0.072 0.000 2.322 105 W HA 0.250 4.909 4.660 -0.001 0.000 0.328 105 W C -0.435 175.977 176.519 -0.178 0.000 1.395 105 W CA -0.010 57.247 57.345 -0.147 0.000 1.267 105 W CB 0.743 30.038 29.460 -0.275 0.000 1.259 105 W HN -0.123 nan 8.180 nan 0.000 0.560 106 K N 5.140 125.068 120.400 -0.787 0.000 2.706 106 K HA 0.254 4.574 4.320 -0.001 0.000 0.203 106 K C 0.603 176.700 176.600 -0.839 0.000 1.102 106 K CA 0.358 56.265 56.287 -0.633 0.000 1.058 106 K CB 0.464 32.761 32.500 -0.338 0.000 0.779 106 K HN 0.829 nan 8.250 nan 0.000 0.483 107 G N 0.998 108.790 108.800 -1.682 0.000 2.693 107 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.226 107 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.226 107 G C -0.659 173.864 174.900 -0.627 0.000 1.354 107 G CA -0.417 44.085 45.100 -0.996 0.000 0.873 107 G HN 0.165 nan 8.290 nan 0.000 0.562 108 S N -0.652 114.963 115.700 -0.142 0.000 2.588 108 S HA 0.749 5.218 4.470 -0.001 0.000 0.275 108 S C -0.227 174.461 174.600 0.147 0.000 1.130 108 S CA -0.981 57.202 58.200 -0.028 0.000 0.855 108 S CB 1.899 65.117 63.200 0.029 0.000 1.116 108 S HN 0.827 nan 8.310 nan 0.000 0.472 109 R N 1.341 121.889 120.500 0.081 0.000 2.590 109 R HA 0.082 4.422 4.340 -0.001 0.000 0.274 109 R C 1.102 177.482 176.300 0.135 0.000 1.061 109 R CA -0.255 55.925 56.100 0.133 0.000 1.081 109 R CB -0.018 30.308 30.300 0.044 0.000 0.984 109 R HN 0.857 nan 8.270 nan 0.000 0.448 110 W N 4.165 125.450 121.300 -0.025 0.000 2.363 110 W HA -0.199 4.461 4.660 -0.001 0.000 0.296 110 W C 0.987 177.417 176.519 -0.148 0.000 1.212 110 W CA 1.681 58.880 57.345 -0.244 0.000 1.260 110 W CB 0.360 29.735 29.460 -0.143 0.000 1.131 110 W HN 0.720 nan 8.180 nan 0.000 0.530 111 E N 0.441 120.550 120.200 -0.152 0.000 2.333 111 E HA -0.260 4.090 4.350 -0.001 0.000 0.198 111 E C 1.414 177.825 176.600 -0.315 0.000 1.007 111 E CA 1.234 57.473 56.400 -0.268 0.000 0.845 111 E CB -0.864 28.752 29.700 -0.140 0.000 0.766 111 E HN 0.516 nan 8.360 nan 0.000 0.507 112 Q N 0.538 120.183 119.800 -0.259 0.000 2.403 112 Q HA 0.255 4.594 4.340 -0.001 0.000 0.203 112 Q C 0.444 176.285 176.000 -0.266 0.000 0.932 112 Q CA 0.199 55.873 55.803 -0.215 0.000 0.945 112 Q CB 0.552 29.219 28.738 -0.118 0.000 1.045 112 Q HN 0.264 nan 8.270 nan 0.000 0.511 113 A N 1.059 123.605 122.820 -0.457 0.000 2.488 113 A HA 0.297 4.616 4.320 -0.001 0.000 0.249 113 A C -0.245 177.121 177.584 -0.363 0.000 1.083 113 A CA 0.052 51.798 52.037 -0.485 0.000 0.768 113 A CB 0.452 18.826 19.000 -1.043 0.000 1.017 113 A HN 0.092 nan 8.150 nan 0.000 0.496 114 V N 4.729 124.529 119.914 -0.190 0.000 2.447 114 V HA 0.272 4.392 4.120 -0.001 0.000 0.292 114 V C -0.233 175.849 176.094 -0.020 0.000 1.021 114 V CA -0.506 61.725 62.300 -0.115 0.000 0.850 114 V CB 1.449 33.220 31.823 -0.087 0.000 1.005 114 V HN 0.682 nan 8.190 nan 0.000 0.426 115 V N 4.881 124.803 119.914 0.014 0.000 2.567 115 V HA 0.408 4.527 4.120 -0.001 0.000 0.289 115 V C -0.775 175.415 176.094 0.158 0.000 1.049 115 V CA -0.634 61.733 62.300 0.112 0.000 0.969 115 V CB 1.526 33.438 31.823 0.149 0.000 0.995 115 V HN 0.788 nan 8.190 nan 0.000 0.471 116 Y N 3.171 123.491 120.300 0.033 0.000 2.332 116 Y HA 0.413 4.962 4.550 -0.001 0.000 0.326 116 Y C 0.125 176.027 175.900 0.003 0.000 0.978 116 Y CA -0.572 57.530 58.100 0.003 0.000 1.205 116 Y CB 1.218 39.671 38.460 -0.011 0.000 1.131 116 Y HN 0.764 nan 8.280 nan 0.000 0.462 117 E N 7.194 127.274 120.200 -0.199 0.000 2.223 117 E HA 0.361 4.710 4.350 -0.001 0.000 0.282 117 E C -1.079 175.315 176.600 -0.344 0.000 1.046 117 E CA -0.627 55.708 56.400 -0.108 0.000 0.857 117 E CB 0.521 30.264 29.700 0.072 0.000 1.055 117 E HN 0.717 nan 8.360 nan 0.000 0.409 118 M N 2.759 122.233 119.600 -0.211 0.000 2.602 118 M HA 0.372 4.851 4.480 -0.001 0.000 0.312 118 M C -1.098 175.116 176.300 -0.143 0.000 1.181 118 M CA -0.704 54.421 55.300 -0.291 0.000 0.910 118 M CB 1.841 34.190 32.600 -0.417 0.000 1.723 118 M HN 0.324 nan 8.290 nan 0.000 0.459 119 H N 1.247 120.219 119.070 -0.163 0.000 2.551 119 H HA 0.363 4.918 4.556 -0.001 0.000 0.321 119 H C -0.420 174.894 175.328 -0.025 0.000 1.028 119 H CA -0.210 55.823 56.048 -0.025 0.000 1.215 119 H CB 1.541 31.417 29.762 0.191 0.000 1.414 119 H HN 0.975 nan 8.280 nan 0.000 0.480 120 T N 2.956 117.060 114.554 -0.750 0.000 2.720 120 T HA -0.139 4.210 4.350 -0.001 0.000 0.268 120 T C 2.097 176.488 174.700 -0.515 0.000 1.037 120 T CA 1.538 63.178 62.100 -0.767 0.000 1.144 120 T CB -0.292 67.669 68.868 -1.512 0.000 0.864 120 T HN 0.798 nan 8.240 nan 0.000 0.444 121 G N 1.186 109.679 108.800 -0.513 0.000 2.443 121 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.219 121 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.219 121 G C 1.664 176.765 174.900 0.335 0.000 1.131 121 G CA 1.471 46.718 45.100 0.244 0.000 0.775 121 G HN 0.630 nan 8.290 nan 0.000 0.547 122 T N -3.033 111.789 114.554 0.446 0.000 3.001 122 T HA 0.178 4.528 4.350 -0.001 0.000 0.251 122 T C 1.812 176.664 174.700 0.252 0.000 1.040 122 T CA -0.113 62.107 62.100 0.200 0.000 0.985 122 T CB -0.126 68.905 68.868 0.271 0.000 1.011 122 T HN 0.052 nan 8.240 nan 0.000 0.509 123 F N 4.427 124.469 119.950 0.153 0.000 2.216 123 F HA 0.112 4.638 4.527 -0.001 0.000 0.300 123 F C 0.893 176.929 175.800 0.393 0.000 1.085 123 F CA 1.154 59.284 58.000 0.217 0.000 1.326 123 F CB -0.378 38.719 39.000 0.160 0.000 1.027 123 F HN 0.329 nan 8.300 nan 0.000 0.497 124 T N -4.234 110.414 114.554 0.157 0.000 2.901 124 T HA 0.402 4.751 4.350 -0.001 0.000 0.293 124 T C -2.074 172.655 174.700 0.048 0.000 1.084 124 T CA -1.927 60.194 62.100 0.034 0.000 1.008 124 T CB 1.644 70.455 68.868 -0.096 0.000 1.170 124 T HN -0.353 nan 8.240 nan 0.000 0.509 125 P HA -0.053 nan 4.420 nan 0.000 0.215 125 P C 1.173 178.481 177.300 0.015 0.000 1.153 125 P CA 1.189 64.293 63.100 0.007 0.000 0.853 125 P CB 0.112 31.807 31.700 -0.008 0.000 0.788 126 E N -1.639 118.563 120.200 0.005 0.000 2.152 126 E HA 0.058 4.407 4.350 -0.001 0.000 0.192 126 E C 1.228 177.862 176.600 0.056 0.000 0.983 126 E CA 0.712 57.127 56.400 0.025 0.000 0.818 126 E CB -0.511 29.192 29.700 0.006 0.000 0.758 126 E HN 0.156 nan 8.360 nan 0.000 0.467 127 G N 2.006 110.837 108.800 0.052 0.000 2.182 127 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.248 127 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.248 127 G C 0.235 175.117 174.900 -0.028 0.000 1.042 127 G CA 0.573 45.714 45.100 0.069 0.000 0.775 127 G HN 0.366 nan 8.290 nan 0.000 0.501 128 T N -3.663 110.849 114.554 -0.069 0.000 2.930 128 T HA 0.708 5.057 4.350 -0.001 0.000 0.290 128 T C 1.064 175.673 174.700 -0.152 0.000 1.052 128 T CA -0.455 61.553 62.100 -0.154 0.000 1.017 128 T CB 1.346 70.196 68.868 -0.029 0.000 1.137 128 T HN 0.098 nan 8.240 nan 0.000 0.511 129 F N 0.538 120.439 119.950 -0.083 0.000 2.134 129 F HA 0.048 4.574 4.527 -0.001 0.000 0.299 129 F C 2.787 178.636 175.800 0.081 0.000 1.097 129 F CA 0.822 58.744 58.000 -0.129 0.000 1.264 129 F CB -0.648 38.325 39.000 -0.045 0.000 1.001 129 F HN 0.411 nan 8.300 nan 0.000 0.479 130 R N 0.353 121.011 120.500 0.264 0.000 2.081 130 R HA -0.066 4.273 4.340 -0.001 0.000 0.235 130 R C 2.378 178.779 176.300 0.169 0.000 1.131 130 R CA 1.269 57.498 56.100 0.214 0.000 0.960 130 R CB -1.322 29.068 30.300 0.150 0.000 0.856 130 R HN 0.329 nan 8.270 nan 0.000 0.436 131 A N 1.042 123.929 122.820 0.112 0.000 1.969 131 A HA -0.031 4.289 4.320 -0.001 0.000 0.218 131 A C 2.335 179.977 177.584 0.097 0.000 1.169 131 A CA 1.600 53.671 52.037 0.056 0.000 0.635 131 A CB -0.422 18.579 19.000 0.002 0.000 0.810 131 A HN 0.342 nan 8.150 nan 0.000 0.445 132 A N 0.024 122.984 122.820 0.233 0.000 2.015 132 A HA -0.043 4.277 4.320 -0.001 0.000 0.219 132 A C 2.008 179.887 177.584 0.493 0.000 1.163 132 A CA 1.295 53.606 52.037 0.457 0.000 0.646 132 A CB -0.612 18.678 19.000 0.484 0.000 0.806 132 A HN 0.510 nan 8.150 nan 0.000 0.448 133 I N -0.127 120.703 120.570 0.433 0.000 2.264 133 I HA -0.322 3.848 4.170 -0.001 0.000 0.248 133 I C 2.805 179.025 176.117 0.172 0.000 1.111 133 I CA 1.097 62.583 61.300 0.310 0.000 1.382 133 I CB -0.279 37.874 38.000 0.255 0.000 1.060 133 I HN 0.368 nan 8.210 nan 0.000 0.418 134 A N 0.236 123.112 122.820 0.093 0.000 2.121 134 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 134 A C 2.045 179.579 177.584 -0.083 0.000 1.154 134 A CA 1.213 53.239 52.037 -0.017 0.000 0.679 134 A CB -0.177 18.778 19.000 -0.076 0.000 0.795 134 A HN 0.216 nan 8.150 nan 0.000 0.458 135 K N -0.284 120.103 120.400 -0.022 0.000 2.393 135 K HA 0.270 4.590 4.320 -0.001 0.000 0.193 135 K C 1.469 178.169 176.600 0.167 0.000 1.026 135 K CA 0.101 56.397 56.287 0.015 0.000 1.064 135 K CB -0.264 32.256 32.500 0.033 0.000 0.833 135 K HN 0.512 nan 8.250 nan 0.000 0.521 136 L N 1.102 122.357 121.223 0.053 0.000 2.046 136 L HA -0.136 4.204 4.340 -0.001 0.000 0.208 136 L C -0.684 175.994 176.870 -0.320 0.000 1.077 136 L CA 1.459 56.252 54.840 -0.079 0.000 0.747 136 L CB -1.494 40.547 42.059 -0.030 0.000 0.896 136 L HN 0.048 nan 8.230 nan 0.000 0.432 137 P HA -0.234 nan 4.420 nan 0.000 0.215 137 P C 1.410 178.612 177.300 -0.163 0.000 1.153 137 P CA 1.282 64.079 63.100 -0.504 0.000 0.853 137 P CB -0.094 31.332 31.700 -0.457 0.000 0.788 138 Y N 0.583 120.781 120.300 -0.169 0.000 2.128 138 Y HA -0.218 4.332 4.550 -0.001 0.000 0.284 138 Y C 1.944 177.810 175.900 -0.058 0.000 1.154 138 Y CA 1.581 59.639 58.100 -0.071 0.000 1.149 138 Y CB -1.204 37.245 38.460 -0.019 0.000 0.976 138 Y HN -0.200 nan 8.280 nan 0.000 0.505 139 L N -0.006 121.062 121.223 -0.259 0.000 2.056 139 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 139 L C 2.860 179.558 176.870 -0.287 0.000 1.078 139 L CA 1.109 55.699 54.840 -0.417 0.000 0.749 139 L CB -1.028 40.850 42.059 -0.301 0.000 0.901 139 L HN 0.392 nan 8.230 nan 0.000 0.433 140 A N -0.511 122.200 122.820 -0.182 0.000 1.902 140 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 140 A C 2.308 179.831 177.584 -0.101 0.000 1.181 140 A CA 1.627 53.601 52.037 -0.104 0.000 0.623 140 A CB -0.413 18.560 19.000 -0.045 0.000 0.818 140 A HN 0.348 nan 8.150 nan 0.000 0.443 141 E N -0.246 119.883 120.200 -0.117 0.000 2.358 141 E HA -0.097 4.253 4.350 -0.001 0.000 0.195 141 E C 1.774 178.308 176.600 -0.109 0.000 1.010 141 E CA 0.674 57.025 56.400 -0.083 0.000 0.856 141 E CB -0.174 29.496 29.700 -0.049 0.000 0.795 141 E HN 0.452 nan 8.360 nan 0.000 0.504 142 L N -0.144 120.961 121.223 -0.197 0.000 2.093 142 L HA 0.033 4.372 4.340 -0.001 0.000 0.208 142 L C 1.530 178.322 176.870 -0.130 0.000 1.085 142 L CA 2.332 57.055 54.840 -0.195 0.000 0.755 142 L CB -0.140 41.714 42.059 -0.342 0.000 0.904 142 L HN 0.274 nan 8.230 nan 0.000 0.435 143 G N -2.043 106.681 108.800 -0.127 0.000 2.183 143 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.168 143 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.168 143 G C 0.137 174.987 174.900 -0.083 0.000 1.008 143 G CA -0.055 44.991 45.100 -0.090 0.000 0.677 143 G HN 0.240 nan 8.290 nan 0.000 0.498 144 V N 1.686 121.536 119.914 -0.106 0.000 2.763 144 V HA 0.407 4.526 4.120 -0.001 0.000 0.306 144 V C 1.790 177.862 176.094 -0.036 0.000 1.059 144 V CA 1.687 63.944 62.300 -0.073 0.000 1.138 144 V CB 1.354 33.084 31.823 -0.156 0.000 0.940 144 V HN 0.819 nan 8.190 nan 0.000 0.489 145 T N 0.564 115.119 114.554 0.001 0.000 2.975 145 T HA 0.271 4.621 4.350 -0.001 0.000 0.261 145 T C -0.075 174.689 174.700 0.108 0.000 0.984 145 T CA -0.068 62.060 62.100 0.047 0.000 0.911 145 T CB 0.427 69.311 68.868 0.027 0.000 1.127 145 T HN 0.297 nan 8.240 nan 0.000 0.514 146 V N 3.194 123.174 119.914 0.109 0.000 2.569 146 V HA 0.496 4.616 4.120 -0.001 0.000 0.301 146 V C -1.020 175.184 176.094 0.183 0.000 1.044 146 V CA -1.137 61.271 62.300 0.180 0.000 0.874 146 V CB 1.892 33.846 31.823 0.217 0.000 1.002 146 V HN 0.329 nan 8.190 nan 0.000 0.424 147 I N 3.594 124.273 120.570 0.182 0.000 2.304 147 I HA 0.413 4.583 4.170 -0.001 0.000 0.291 147 I C 0.326 176.572 176.117 0.215 0.000 1.018 147 I CA -0.173 61.250 61.300 0.206 0.000 1.260 147 I CB 1.401 39.513 38.000 0.188 0.000 1.390 147 I HN 0.799 nan 8.210 nan 0.000 0.475 148 E N 6.412 126.733 120.200 0.201 0.000 2.081 148 E HA 0.388 4.737 4.350 -0.001 0.000 0.281 148 E C -1.270 175.393 176.600 0.105 0.000 0.986 148 E CA -0.515 55.990 56.400 0.175 0.000 0.796 148 E CB 1.265 31.097 29.700 0.220 0.000 1.085 148 E HN 0.396 nan 8.360 nan 0.000 0.398 149 V N 6.514 126.476 119.914 0.080 0.000 2.406 149 V HA 0.166 4.285 4.120 -0.001 0.000 0.272 149 V C 0.728 176.784 176.094 -0.064 0.000 1.043 149 V CA -0.365 61.933 62.300 -0.004 0.000 0.915 149 V CB 0.949 32.796 31.823 0.039 0.000 0.988 149 V HN 0.890 nan 8.190 nan 0.000 0.466 150 M N 6.499 126.045 119.600 -0.091 0.000 2.219 150 M HA 0.184 4.664 4.480 -0.001 0.000 0.307 150 M C -2.146 174.044 176.300 -0.183 0.000 1.116 150 M CA -1.020 54.205 55.300 -0.124 0.000 1.181 150 M CB 0.075 32.648 32.600 -0.045 0.000 1.410 150 M HN 0.353 nan 8.290 nan 0.000 0.454 151 P HA -0.050 nan 4.420 nan 0.000 0.265 151 P C 0.299 177.555 177.300 -0.073 0.000 1.193 151 P CA 0.025 62.956 63.100 -0.281 0.000 0.765 151 P CB 0.306 31.751 31.700 -0.425 0.000 0.823 152 V N 0.031 119.867 119.914 -0.130 0.000 3.643 152 V HA 0.391 4.511 4.120 -0.001 0.000 0.280 152 V C 0.822 176.946 176.094 0.050 0.000 1.351 152 V CA 0.235 62.554 62.300 0.033 0.000 1.073 152 V CB -0.879 30.872 31.823 -0.120 0.000 0.863 152 V HN 0.475 nan 8.190 nan 0.000 0.436 153 A N 1.360 124.186 122.820 0.011 0.000 2.566 153 A HA 0.201 4.521 4.320 -0.001 0.000 0.245 153 A C 0.457 178.095 177.584 0.089 0.000 1.056 153 A CA 0.416 52.516 52.037 0.105 0.000 0.757 153 A CB -0.221 18.825 19.000 0.076 0.000 0.979 153 A HN 0.755 nan 8.150 nan 0.000 0.508 154 Q N 1.265 121.042 119.800 -0.039 0.000 2.286 154 Q HA 0.370 4.709 4.340 -0.001 0.000 0.290 154 Q C -0.615 175.308 176.000 -0.128 0.000 1.049 154 Q CA 0.902 56.491 55.803 -0.357 0.000 0.923 154 Q CB -0.032 28.474 28.738 -0.387 0.000 1.183 154 Q HN 0.660 nan 8.270 nan 0.000 0.383 155 F N 0.669 120.601 119.950 -0.030 0.000 2.631 155 F HA 0.807 5.334 4.527 -0.001 0.000 0.328 155 F C 0.397 176.268 175.800 0.118 0.000 1.067 155 F CA -1.345 56.713 58.000 0.097 0.000 0.969 155 F CB 0.362 39.452 39.000 0.149 0.000 1.332 155 F HN 0.499 nan 8.300 nan 0.000 0.490 156 G N 0.144 109.252 108.800 0.514 0.000 2.380 156 G HA2 0.472 4.432 3.960 -0.001 0.000 0.242 156 G HA3 0.472 4.432 3.960 -0.001 0.000 0.242 156 G C 0.242 175.370 174.900 0.379 0.000 1.298 156 G CA 0.306 45.676 45.100 0.450 0.000 0.878 156 G HN 1.723 nan 8.290 nan 0.000 0.542 157 G N 1.521 110.467 108.800 0.243 0.000 2.760 157 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.246 157 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.246 157 G C 0.683 175.660 174.900 0.128 0.000 1.359 157 G CA 0.481 45.666 45.100 0.142 0.000 0.861 157 G HN 1.267 nan 8.290 nan 0.000 0.541 158 E N -0.841 119.350 120.200 -0.014 0.000 2.415 158 E HA 0.187 4.537 4.350 -0.001 0.000 0.197 158 E C 0.990 177.423 176.600 -0.279 0.000 1.007 158 E CA 0.252 56.551 56.400 -0.168 0.000 0.890 158 E CB 0.366 29.973 29.700 -0.154 0.000 0.891 158 E HN 0.602 nan 8.360 nan 0.000 0.496 159 R N 0.230 120.635 120.500 -0.158 0.000 2.621 159 R HA 0.707 5.047 4.340 -0.001 0.000 0.292 159 R C -0.601 175.764 176.300 0.107 0.000 0.969 159 R CA -0.454 55.523 56.100 -0.205 0.000 0.887 159 R CB 2.273 32.141 30.300 -0.720 0.000 1.180 159 R HN 0.156 nan 8.270 nan 0.000 0.450 160 G N 0.673 109.674 108.800 0.334 0.000 2.377 160 G HA2 0.147 4.107 3.960 -0.001 0.000 0.297 160 G HA3 0.147 4.107 3.960 -0.001 0.000 0.297 160 G C -0.904 174.059 174.900 0.106 0.000 1.547 160 G CA -0.839 44.134 45.100 -0.211 0.000 0.833 160 G HN 0.508 nan 8.290 nan 0.000 0.583 161 W N 0.273 121.315 121.300 -0.431 0.000 2.402 161 W HA 0.275 4.934 4.660 -0.001 0.000 0.286 161 W C 2.098 178.523 176.519 -0.157 0.000 1.221 161 W CA 2.025 59.284 57.345 -0.142 0.000 1.257 161 W CB -0.168 29.277 29.460 -0.024 0.000 1.120 161 W HN 1.790 nan 8.180 nan 0.000 0.551 162 G N -3.071 105.563 108.800 -0.277 0.000 2.296 162 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.188 162 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.188 162 G C 0.561 175.196 174.900 -0.442 0.000 1.000 162 G CA -0.010 44.892 45.100 -0.330 0.000 0.672 162 G HN 0.259 nan 8.290 nan 0.000 0.483 163 Y N 1.605 121.892 120.300 -0.022 0.000 2.529 163 Y HA 0.270 4.820 4.550 -0.001 0.000 0.290 163 Y C 1.545 177.462 175.900 0.028 0.000 1.177 163 Y CA 0.643 58.741 58.100 -0.004 0.000 1.305 163 Y CB 0.349 38.819 38.460 0.016 0.000 1.047 163 Y HN 0.134 nan 8.280 nan 0.000 0.522 164 D N -0.244 120.197 120.400 0.067 0.000 2.368 164 D HA 0.110 4.750 4.640 -0.001 0.000 0.218 164 D C 1.117 177.543 176.300 0.210 0.000 1.112 164 D CA 0.094 54.200 54.000 0.176 0.000 0.834 164 D CB -0.031 40.925 40.800 0.260 0.000 0.953 164 D HN 0.238 nan 8.370 nan 0.000 0.505 165 G N 0.722 109.615 108.800 0.155 0.000 2.391 165 G HA2 0.219 4.179 3.960 -0.001 0.000 0.234 165 G HA3 0.219 4.179 3.960 -0.001 0.000 0.234 165 G C 1.214 176.189 174.900 0.125 0.000 1.284 165 G CA 0.086 45.302 45.100 0.193 0.000 0.873 165 G HN 0.159 nan 8.290 nan 0.000 0.549 166 V N 0.002 120.036 119.914 0.201 0.000 3.368 166 V HA 0.386 4.506 4.120 -0.001 0.000 0.255 166 V C 0.827 177.137 176.094 0.360 0.000 1.466 166 V CA 0.105 62.595 62.300 0.316 0.000 1.095 166 V CB -0.304 31.668 31.823 0.250 0.000 0.899 166 V HN 0.460 nan 8.190 nan 0.000 0.440 167 L N 2.354 123.730 121.223 0.255 0.000 2.353 167 L HA 0.445 4.784 4.340 -0.001 0.000 0.269 167 L C 1.013 178.072 176.870 0.316 0.000 1.085 167 L CA -0.296 54.718 54.840 0.290 0.000 0.938 167 L CB 1.206 43.370 42.059 0.175 0.000 1.312 167 L HN 0.244 nan 8.230 nan 0.000 0.429 168 L N 1.132 122.594 121.223 0.398 0.000 2.456 168 L HA -0.129 4.211 4.340 -0.001 0.000 0.224 168 L C 1.121 178.172 176.870 0.302 0.000 1.148 168 L CA 1.380 56.375 54.840 0.257 0.000 0.825 168 L CB -0.327 41.826 42.059 0.157 0.000 0.937 168 L HN 0.623 nan 8.230 nan 0.000 0.450 169 Y N -0.365 120.053 120.300 0.197 0.000 2.458 169 Y HA 0.378 4.927 4.550 -0.001 0.000 0.256 169 Y C 1.081 177.041 175.900 0.101 0.000 1.159 169 Y CA -0.456 57.642 58.100 -0.003 0.000 1.261 169 Y CB 0.452 38.666 38.460 -0.411 0.000 1.119 169 Y HN 0.009 nan 8.280 nan 0.000 0.524 170 A N 2.255 125.313 122.820 0.396 0.000 2.273 170 A HA 0.489 4.808 4.320 -0.001 0.000 0.315 170 A C -2.718 175.083 177.584 0.361 0.000 1.256 170 A CA -1.919 50.291 52.037 0.288 0.000 0.851 170 A CB 0.285 19.360 19.000 0.124 0.000 1.172 170 A HN -0.114 nan 8.150 nan 0.000 0.508 171 P HA 0.001 nan 4.420 nan 0.000 0.271 171 P C -0.423 176.978 177.300 0.168 0.000 1.216 171 P CA 0.129 63.443 63.100 0.356 0.000 0.771 171 P CB 0.399 32.353 31.700 0.424 0.000 0.864 172 H N 2.824 121.836 119.070 -0.097 0.000 3.070 172 H HA -0.019 4.536 4.556 -0.001 0.000 0.313 172 H C 1.371 176.527 175.328 -0.288 0.000 0.997 172 H CA 0.854 56.671 56.048 -0.386 0.000 1.438 172 H CB 0.698 29.890 29.762 -0.951 0.000 1.455 172 H HN 0.417 nan 8.280 nan 0.000 0.575 173 S N 3.341 119.030 115.700 -0.019 0.000 2.440 173 S HA -0.167 4.303 4.470 -0.001 0.000 0.238 173 S C 2.176 176.810 174.600 0.056 0.000 1.010 173 S CA 0.656 58.894 58.200 0.062 0.000 0.972 173 S CB -0.176 63.040 63.200 0.027 0.000 0.774 173 S HN 0.639 nan 8.310 nan 0.000 0.501 174 A N 0.448 123.303 122.820 0.059 0.000 2.015 174 A HA 0.080 4.399 4.320 -0.001 0.000 0.219 174 A C 1.859 179.340 177.584 -0.173 0.000 1.163 174 A CA 1.039 52.956 52.037 -0.200 0.000 0.646 174 A CB -0.752 17.918 19.000 -0.550 0.000 0.806 174 A HN 0.613 nan 8.150 nan 0.000 0.448 175 Y N -0.824 119.269 120.300 -0.345 0.000 2.448 175 Y HA 0.390 4.939 4.550 -0.001 0.000 0.289 175 Y C 1.525 177.092 175.900 -0.556 0.000 1.114 175 Y CA 0.022 57.695 58.100 -0.711 0.000 1.235 175 Y CB -0.489 37.122 38.460 -1.414 0.000 1.045 175 Y HN 0.423 nan 8.280 nan 0.000 0.554 176 G N -0.937 107.868 108.800 0.010 0.000 2.359 176 G HA2 0.250 4.209 3.960 -0.001 0.000 0.293 176 G HA3 0.250 4.209 3.960 -0.001 0.000 0.293 176 G C -0.616 174.481 174.900 0.328 0.000 1.300 176 G CA -0.588 44.648 45.100 0.227 0.000 0.888 176 G HN 0.149 nan 8.290 nan 0.000 0.541 177 T N -1.189 113.558 114.554 0.321 0.000 2.816 177 T HA 0.589 4.939 4.350 -0.001 0.000 0.282 177 T C -1.282 173.646 174.700 0.379 0.000 0.993 177 T CA -0.626 61.673 62.100 0.331 0.000 0.994 177 T CB 1.694 70.731 68.868 0.281 0.000 1.025 177 T HN 0.201 nan 8.240 nan 0.000 0.529 178 P HA -0.089 nan 4.420 nan 0.000 0.216 178 P C 0.961 178.418 177.300 0.262 0.000 1.153 178 P CA 1.126 64.486 63.100 0.433 0.000 0.858 178 P CB -0.061 31.854 31.700 0.357 0.000 0.789 179 D N -1.196 119.287 120.400 0.138 0.000 2.178 179 D HA -0.125 4.514 4.640 -0.001 0.000 0.202 179 D C 1.526 177.768 176.300 -0.096 0.000 0.974 179 D CA 0.929 54.901 54.000 -0.047 0.000 0.841 179 D CB -0.735 40.110 40.800 0.076 0.000 0.953 179 D HN 0.165 nan 8.370 nan 0.000 0.478 180 D N -0.230 120.237 120.400 0.112 0.000 2.117 180 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 180 D C 1.778 178.173 176.300 0.157 0.000 0.987 180 D CA 0.484 54.592 54.000 0.180 0.000 0.829 180 D CB -0.302 40.702 40.800 0.341 0.000 0.961 180 D HN 0.157 nan 8.370 nan 0.000 0.460 181 F N 2.057 121.933 119.950 -0.123 0.000 2.146 181 F HA -0.059 4.468 4.527 -0.001 0.000 0.298 181 F C 1.994 177.642 175.800 -0.252 0.000 1.096 181 F CA 1.107 58.780 58.000 -0.545 0.000 1.275 181 F CB -0.180 38.389 39.000 -0.718 0.000 1.008 181 F HN -0.168 nan 8.300 nan 0.000 0.480 182 K N 0.060 120.281 120.400 -0.299 0.000 2.063 182 K HA -0.139 4.181 4.320 -0.001 0.000 0.208 182 K C 2.279 178.236 176.600 -1.071 0.000 1.048 182 K CA 1.319 57.092 56.287 -0.856 0.000 0.928 182 K CB -0.559 31.070 32.500 -1.453 0.000 0.713 182 K HN 0.283 nan 8.250 nan 0.000 0.442 183 A N 1.211 123.506 122.820 -0.876 0.000 1.902 183 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 183 A C 2.005 179.487 177.584 -0.170 0.000 1.181 183 A CA 1.238 53.013 52.037 -0.437 0.000 0.623 183 A CB -0.683 18.247 19.000 -0.117 0.000 0.818 183 A HN 0.392 nan 8.150 nan 0.000 0.443 184 F N 0.628 120.461 119.950 -0.195 0.000 2.102 184 F HA -0.145 4.382 4.527 -0.001 0.000 0.298 184 F C 1.904 177.588 175.800 -0.193 0.000 1.105 184 F CA 1.833 59.782 58.000 -0.085 0.000 1.239 184 F CB -0.227 38.803 39.000 0.050 0.000 0.991 184 F HN 0.177 nan 8.300 nan 0.000 0.474 185 I N 0.303 120.700 120.570 -0.288 0.000 2.179 185 I HA -0.281 3.889 4.170 -0.001 0.000 0.242 185 I C 2.178 177.915 176.117 -0.633 0.000 1.088 185 I CA 1.766 62.771 61.300 -0.492 0.000 1.357 185 I CB -0.638 37.166 38.000 -0.326 0.000 1.051 185 I HN 0.151 nan 8.210 nan 0.000 0.409 186 D N 0.920 121.136 120.400 -0.306 0.000 2.097 186 D HA -0.165 4.474 4.640 -0.001 0.000 0.195 186 D C 2.195 178.358 176.300 -0.229 0.000 0.989 186 D CA 1.628 55.577 54.000 -0.084 0.000 0.827 186 D CB 0.006 40.841 40.800 0.058 0.000 0.966 186 D HN 0.292 nan 8.370 nan 0.000 0.456 187 A N 0.610 123.263 122.820 -0.278 0.000 1.902 187 A HA -0.009 4.310 4.320 -0.001 0.000 0.217 187 A C 2.388 179.729 177.584 -0.405 0.000 1.181 187 A CA 2.445 54.283 52.037 -0.332 0.000 0.623 187 A CB -1.080 17.819 19.000 -0.170 0.000 0.818 187 A HN 0.298 nan 8.150 nan 0.000 0.443 188 A N -0.462 122.082 122.820 -0.459 0.000 1.892 188 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 188 A C 1.908 179.258 177.584 -0.390 0.000 1.188 188 A CA 1.905 53.696 52.037 -0.409 0.000 0.631 188 A CB -1.197 17.424 19.000 -0.632 0.000 0.822 188 A HN 0.776 nan 8.150 nan 0.000 0.447 189 H N -1.256 117.451 119.070 -0.604 0.000 2.352 189 H HA -0.107 4.448 4.556 -0.001 0.000 0.299 189 H C 2.404 177.425 175.328 -0.511 0.000 1.097 189 H CA 0.528 55.985 56.048 -0.985 0.000 1.311 189 H CB -0.164 28.994 29.762 -1.006 0.000 1.377 189 H HN 0.552 nan 8.280 nan 0.000 0.504 190 G N 0.012 108.666 108.800 -0.244 0.000 2.432 190 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.219 190 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.219 190 G C 0.705 175.478 174.900 -0.212 0.000 1.135 190 G CA 0.639 45.599 45.100 -0.234 0.000 0.767 190 G HN 0.395 nan 8.290 nan 0.000 0.550 191 Y N 0.455 120.715 120.300 -0.067 0.000 2.529 191 Y HA 0.336 4.886 4.550 -0.001 0.000 0.290 191 Y C 2.084 177.977 175.900 -0.012 0.000 1.177 191 Y CA -0.493 57.582 58.100 -0.042 0.000 1.305 191 Y CB -0.134 38.283 38.460 -0.073 0.000 1.047 191 Y HN 0.288 nan 8.280 nan 0.000 0.522 192 G N 0.168 109.038 108.800 0.118 0.000 2.141 192 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.242 192 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.242 192 G C -0.237 174.787 174.900 0.207 0.000 0.982 192 G CA -0.123 45.114 45.100 0.227 0.000 0.662 192 G HN 0.261 nan 8.290 nan 0.000 0.527 193 L N 1.513 122.743 121.223 0.011 0.000 2.296 193 L HA 0.599 4.938 4.340 -0.001 0.000 0.286 193 L C 0.690 177.575 176.870 0.026 0.000 1.023 193 L CA -0.812 54.053 54.840 0.042 0.000 0.812 193 L CB 1.849 43.892 42.059 -0.027 0.000 1.223 193 L HN 0.104 nan 8.230 nan 0.000 0.421 194 S N 1.709 117.584 115.700 0.291 0.000 2.592 194 S HA 0.509 4.979 4.470 -0.001 0.000 0.271 194 S C -0.174 174.568 174.600 0.236 0.000 1.326 194 S CA -0.580 57.863 58.200 0.406 0.000 1.024 194 S CB 1.615 65.135 63.200 0.534 0.000 0.921 194 S HN 0.320 nan 8.310 nan 0.000 0.527 195 V N 2.779 122.837 119.914 0.240 0.000 2.531 195 V HA 0.586 4.706 4.120 -0.001 0.000 0.301 195 V C -0.269 175.951 176.094 0.209 0.000 1.034 195 V CA -0.771 61.634 62.300 0.174 0.000 0.865 195 V CB 1.463 33.322 31.823 0.060 0.000 0.995 195 V HN 0.746 nan 8.190 nan 0.000 0.424 196 V N 3.290 123.328 119.914 0.206 0.000 2.769 196 V HA 0.856 4.975 4.120 -0.001 0.000 0.312 196 V C -1.037 175.119 176.094 0.104 0.000 1.061 196 V CA -0.972 61.429 62.300 0.167 0.000 0.931 196 V CB 1.982 33.935 31.823 0.217 0.000 1.010 196 V HN 0.694 nan 8.190 nan 0.000 0.433 197 L N 2.612 123.841 121.223 0.009 0.000 2.322 197 L HA 0.668 5.008 4.340 -0.001 0.000 0.281 197 L C -0.348 176.410 176.870 -0.188 0.000 1.014 197 L CA 0.031 54.812 54.840 -0.098 0.000 0.815 197 L CB 1.447 43.378 42.059 -0.214 0.000 1.247 197 L HN 0.944 nan 8.230 nan 0.000 0.421 198 D N 4.887 125.179 120.400 -0.180 0.000 2.343 198 D HA 0.203 4.843 4.640 -0.001 0.000 0.255 198 D C -0.791 175.323 176.300 -0.311 0.000 1.187 198 D CA 0.353 54.230 54.000 -0.205 0.000 0.875 198 D CB 0.605 41.326 40.800 -0.131 0.000 1.136 198 D HN 0.603 nan 8.370 nan 0.000 0.469 199 I N 3.592 123.954 120.570 -0.348 0.000 2.498 199 I HA 0.270 4.440 4.170 -0.001 0.000 0.290 199 I C -1.171 174.829 176.117 -0.195 0.000 1.032 199 I CA -0.867 60.220 61.300 -0.355 0.000 1.073 199 I CB 1.844 39.553 38.000 -0.485 0.000 1.251 199 I HN 0.042 nan 8.210 nan 0.000 0.426 200 V N 8.342 128.174 119.914 -0.138 0.000 2.328 200 V HA 0.301 4.421 4.120 -0.001 0.000 0.278 200 V C 0.497 176.568 176.094 -0.039 0.000 1.021 200 V CA -0.241 62.030 62.300 -0.049 0.000 0.838 200 V CB 1.205 32.979 31.823 -0.082 0.000 0.999 200 V HN 0.689 nan 8.190 nan 0.000 0.447 201 L N 3.997 125.279 121.223 0.098 0.000 2.906 201 L HA 0.201 4.540 4.340 -0.001 0.000 0.255 201 L C 1.536 178.596 176.870 0.317 0.000 1.166 201 L CA 0.097 55.045 54.840 0.180 0.000 0.977 201 L CB 0.087 42.305 42.059 0.265 0.000 1.313 201 L HN 0.769 nan 8.230 nan 0.000 0.549 202 N N -1.063 117.827 118.700 0.316 0.000 2.392 202 N HA -0.034 4.706 4.740 -0.001 0.000 0.177 202 N C 0.516 176.359 175.510 0.555 0.000 1.066 202 N CA 0.166 53.499 53.050 0.472 0.000 0.895 202 N CB 0.250 39.022 38.487 0.475 0.000 0.988 202 N HN 0.379 nan 8.380 nan 0.000 0.457 203 H N -2.569 116.684 119.070 0.304 0.000 2.950 203 H HA 0.315 4.870 4.556 -0.001 0.000 0.307 203 H C -1.855 173.586 175.328 0.189 0.000 1.403 203 H CA -1.169 55.103 56.048 0.374 0.000 1.145 203 H CB 0.009 30.034 29.762 0.437 0.000 1.844 203 H HN -0.101 nan 8.280 nan 0.000 0.515 204 F N 0.526 120.557 119.950 0.135 0.000 2.450 204 F HA 0.545 5.072 4.527 -0.001 0.000 0.332 204 F C 1.426 177.278 175.800 0.087 0.000 1.093 204 F CA -0.017 57.997 58.000 0.025 0.000 1.003 204 F CB 1.941 41.007 39.000 0.111 0.000 1.151 204 F HN 0.785 nan 8.300 nan 0.000 0.474 205 G N 1.725 110.645 108.800 0.200 0.000 2.683 205 G HA2 0.248 4.208 3.960 -0.001 0.000 0.260 205 G HA3 0.248 4.208 3.960 -0.001 0.000 0.260 205 G C -1.908 173.075 174.900 0.139 0.000 1.238 205 G CA -0.899 44.337 45.100 0.227 0.000 0.934 205 G HN 0.477 nan 8.290 nan 0.000 0.534 206 P HA 0.108 nan 4.420 nan 0.000 0.239 206 P C 0.141 177.341 177.300 -0.166 0.000 1.188 206 P CA 0.622 63.660 63.100 -0.104 0.000 0.794 206 P CB 0.727 32.302 31.700 -0.209 0.000 0.937 207 E N 0.143 120.282 120.200 -0.100 0.000 2.165 207 E HA 0.502 4.851 4.350 -0.001 0.000 0.266 207 E C 0.647 177.234 176.600 -0.022 0.000 0.889 207 E CA -0.293 56.069 56.400 -0.062 0.000 0.756 207 E CB 0.320 30.052 29.700 0.054 0.000 1.131 207 E HN 0.155 nan 8.360 nan 0.000 0.411 208 G N 4.196 112.886 108.800 -0.183 0.000 2.157 208 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.239 208 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.239 208 G C -0.053 174.619 174.900 -0.379 0.000 0.982 208 G CA 0.021 44.994 45.100 -0.213 0.000 0.650 208 G HN 0.576 nan 8.290 nan 0.000 0.527 209 N N 0.158 118.581 118.700 -0.462 0.000 2.500 209 N HA 0.530 5.269 4.740 -0.001 0.000 0.236 209 N C 0.492 175.666 175.510 -0.561 0.000 1.022 209 N CA -0.716 52.118 53.050 -0.360 0.000 0.935 209 N CB 0.156 38.518 38.487 -0.208 0.000 1.147 209 N HN 0.218 nan 8.380 nan 0.000 0.512 210 Y N 2.494 122.743 120.300 -0.085 0.000 2.458 210 Y HA 0.264 4.813 4.550 -0.001 0.000 0.256 210 Y C 1.605 177.433 175.900 -0.119 0.000 1.159 210 Y CA -0.195 57.857 58.100 -0.080 0.000 1.261 210 Y CB 0.164 38.605 38.460 -0.032 0.000 1.119 210 Y HN 0.460 nan 8.280 nan 0.000 0.524 211 L N 0.612 121.747 121.223 -0.145 0.000 2.079 211 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 211 L C -0.526 176.322 176.870 -0.036 0.000 1.081 211 L CA 1.335 56.031 54.840 -0.240 0.000 0.752 211 L CB -1.445 40.132 42.059 -0.804 0.000 0.896 211 L HN 0.163 nan 8.230 nan 0.000 0.433 212 P HA -0.168 nan 4.420 nan 0.000 0.218 212 P C 1.823 179.133 177.300 0.016 0.000 1.149 212 P CA 1.345 64.475 63.100 0.051 0.000 0.817 212 P CB 0.091 31.729 31.700 -0.103 0.000 0.785 213 L N -1.765 119.465 121.223 0.011 0.000 2.044 213 L HA -0.103 4.236 4.340 -0.001 0.000 0.205 213 L C 2.472 179.321 176.870 -0.034 0.000 1.075 213 L CA 1.185 56.028 54.840 0.005 0.000 0.747 213 L CB -1.045 41.043 42.059 0.050 0.000 0.903 213 L HN -0.066 nan 8.230 nan 0.000 0.435 214 L N -0.122 121.081 121.223 -0.035 0.000 2.046 214 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 214 L C 0.958 177.724 176.870 -0.174 0.000 1.077 214 L CA 1.015 55.797 54.840 -0.096 0.000 0.747 214 L CB -0.289 41.740 42.059 -0.050 0.000 0.896 214 L HN 0.272 nan 8.230 nan 0.000 0.432 215 A N -1.854 120.885 122.820 -0.135 0.000 2.872 215 A HA 0.451 4.771 4.320 -0.001 0.000 0.305 215 A C -2.135 175.432 177.584 -0.029 0.000 1.171 215 A CA -0.798 51.092 52.037 -0.244 0.000 0.782 215 A CB 0.393 19.106 19.000 -0.477 0.000 1.329 215 A HN -0.109 nan 8.150 nan 0.000 0.432 216 P HA -0.185 nan 4.420 nan 0.000 0.217 216 P C 1.617 178.998 177.300 0.133 0.000 1.148 216 P CA 1.994 65.141 63.100 0.079 0.000 0.828 216 P CB 0.302 32.017 31.700 0.026 0.000 0.783 217 A N -1.944 120.921 122.820 0.075 0.000 2.216 217 A HA -0.124 4.195 4.320 -0.001 0.000 0.214 217 A C 1.855 179.523 177.584 0.141 0.000 1.160 217 A CA 0.544 52.650 52.037 0.116 0.000 0.725 217 A CB -1.857 17.226 19.000 0.137 0.000 0.784 217 A HN 0.149 nan 8.150 nan 0.000 0.472 218 F N -0.790 119.169 119.950 0.015 0.000 2.269 218 F HA 0.084 4.610 4.527 -0.001 0.000 0.301 218 F C 0.073 175.441 175.800 -0.720 0.000 1.082 218 F CA 0.806 58.645 58.000 -0.269 0.000 1.360 218 F CB 0.068 38.827 39.000 -0.401 0.000 1.041 218 F HN 0.154 nan 8.300 nan 0.000 0.512 219 F N -0.821 119.185 119.950 0.094 0.000 2.522 219 F HA 0.332 4.859 4.527 -0.001 0.000 0.324 219 F C 0.435 176.205 175.800 -0.050 0.000 1.077 219 F CA -1.207 56.793 58.000 -0.001 0.000 0.944 219 F CB 0.394 39.429 39.000 0.058 0.000 1.175 219 F HN -0.291 nan 8.300 nan 0.000 0.468 220 H N 1.361 120.536 119.070 0.175 0.000 2.757 220 H HA 0.113 4.669 4.556 -0.001 0.000 0.370 220 H C 0.665 176.057 175.328 0.107 0.000 1.172 220 H CA 0.233 56.342 56.048 0.102 0.000 1.426 220 H CB 1.085 30.889 29.762 0.069 0.000 1.438 220 H HN 0.493 nan 8.280 nan 0.000 0.612 221 K N 1.230 121.771 120.400 0.234 0.000 2.076 221 K HA -0.029 4.290 4.320 -0.001 0.000 0.204 221 K C 1.921 178.576 176.600 0.091 0.000 1.051 221 K CA 1.038 57.404 56.287 0.131 0.000 0.949 221 K CB 0.274 32.832 32.500 0.096 0.000 0.726 221 K HN 0.589 nan 8.250 nan 0.000 0.443 222 E N -0.065 120.180 120.200 0.075 0.000 2.065 222 E HA 0.072 4.421 4.350 -0.001 0.000 0.191 222 E C -0.069 176.546 176.600 0.025 0.000 0.960 222 E CA 0.039 56.454 56.400 0.025 0.000 0.824 222 E CB 0.267 29.959 29.700 -0.013 0.000 0.793 222 E HN 0.089 nan 8.360 nan 0.000 0.459 223 R N 1.037 121.553 120.500 0.026 0.000 2.502 223 R HA 0.072 4.411 4.340 -0.001 0.000 0.292 223 R C -0.005 176.342 176.300 0.078 0.000 0.998 223 R CA 0.578 56.698 56.100 0.034 0.000 1.056 223 R CB 0.320 30.630 30.300 0.017 0.000 0.939 223 R HN 0.069 nan 8.270 nan 0.000 0.411 224 M N 2.032 121.646 119.600 0.023 0.000 2.327 224 M HA 0.185 4.665 4.480 -0.001 0.000 0.298 224 M C 0.145 176.406 176.300 -0.065 0.000 1.065 224 M CA -0.622 54.676 55.300 -0.003 0.000 0.916 224 M CB 2.281 34.855 32.600 -0.045 0.000 1.630 224 M HN 0.710 nan 8.290 nan 0.000 0.442 225 T N -0.297 114.211 114.554 -0.077 0.000 2.810 225 T HA 0.510 4.859 4.350 -0.001 0.000 0.277 225 T C -2.201 172.194 174.700 -0.508 0.000 0.973 225 T CA -1.375 60.563 62.100 -0.270 0.000 0.949 225 T CB 0.641 69.423 68.868 -0.144 0.000 1.075 225 T HN 0.375 nan 8.240 nan 0.000 0.537 226 P HA 0.129 nan 4.420 nan 0.000 0.242 226 P C 0.155 176.888 177.300 -0.945 0.000 1.197 226 P CA 0.504 62.969 63.100 -1.057 0.000 0.765 226 P CB 0.030 30.921 31.700 -1.348 0.000 0.936 227 W N -1.221 119.963 121.300 -0.194 0.000 2.534 227 W HA 0.596 5.255 4.660 -0.000 0.000 0.339 227 W C 0.494 176.934 176.519 -0.132 0.000 0.961 227 W CA 0.033 57.214 57.345 -0.273 0.000 1.545 227 W CB 0.498 29.542 29.460 -0.694 0.000 1.104 227 W HN -0.146 nan 8.180 nan 0.000 0.538 228 G N 1.039 109.876 108.800 0.062 0.000 2.337 228 G HA2 0.038 3.997 3.960 -0.001 0.000 0.298 228 G HA3 0.038 3.997 3.960 -0.001 0.000 0.298 228 G C -1.312 173.644 174.900 0.093 0.000 1.335 228 G CA -1.186 43.979 45.100 0.109 0.000 0.875 228 G HN -0.141 nan 8.290 nan 0.000 0.579 229 N N -0.191 118.530 118.700 0.034 0.000 2.454 229 N HA 0.454 5.193 4.740 -0.001 0.000 0.254 229 N C 0.849 176.546 175.510 0.310 0.000 1.228 229 N CA 0.912 54.014 53.050 0.088 0.000 0.900 229 N CB 0.841 39.287 38.487 -0.068 0.000 1.089 229 N HN 0.916 nan 8.380 nan 0.000 0.449 230 G N 0.674 109.649 108.800 0.292 0.000 2.441 230 G HA2 0.310 4.269 3.960 -0.001 0.000 0.243 230 G HA3 0.310 4.269 3.960 -0.001 0.000 0.243 230 G C -0.029 175.079 174.900 0.348 0.000 1.281 230 G CA -0.480 44.818 45.100 0.329 0.000 0.854 230 G HN 0.520 nan 8.290 nan 0.000 0.560 231 I N 1.225 121.857 120.570 0.104 0.000 2.428 231 I HA 0.279 4.448 4.170 -0.001 0.000 0.289 231 I C 1.019 176.683 176.117 -0.755 0.000 1.019 231 I CA -0.461 60.618 61.300 -0.368 0.000 1.351 231 I CB 1.773 39.471 38.000 -0.502 0.000 1.412 231 I HN 0.507 nan 8.210 nan 0.000 0.513 232 A N 6.303 128.613 122.820 -0.850 0.000 2.990 232 A HA 0.177 4.497 4.320 -0.001 0.000 0.282 232 A C 0.408 177.657 177.584 -0.559 0.000 1.688 232 A CA -0.157 51.334 52.037 -0.910 0.000 1.391 232 A CB -0.866 17.655 19.000 -0.798 0.000 1.112 232 A HN 0.745 nan 8.150 nan 0.000 0.588 233 Y N 0.737 120.929 120.300 -0.180 0.000 2.483 233 Y HA -0.182 4.367 4.550 -0.001 0.000 0.291 233 Y C 2.019 177.852 175.900 -0.110 0.000 1.143 233 Y CA 1.332 59.352 58.100 -0.134 0.000 1.289 233 Y CB -0.132 38.280 38.460 -0.080 0.000 0.983 233 Y HN 0.745 nan 8.280 nan 0.000 0.556 234 D N -0.642 119.785 120.400 0.046 0.000 2.355 234 D HA -0.030 4.609 4.640 -0.001 0.000 0.218 234 D C 0.207 176.490 176.300 -0.028 0.000 1.004 234 D CA 0.383 54.401 54.000 0.031 0.000 0.880 234 D CB -0.148 40.699 40.800 0.079 0.000 0.911 234 D HN 0.102 nan 8.370 nan 0.000 0.528 235 V N 2.007 121.854 119.914 -0.112 0.000 2.432 235 V HA -0.015 4.104 4.120 -0.001 0.000 0.275 235 V C 1.252 177.233 176.094 -0.189 0.000 1.043 235 V CA -0.341 61.870 62.300 -0.147 0.000 0.925 235 V CB 1.300 33.001 31.823 -0.203 0.000 0.985 235 V HN -0.070 nan 8.190 nan 0.000 0.466 236 D N 5.110 125.431 120.400 -0.132 0.000 2.116 236 D HA -0.216 4.424 4.640 -0.001 0.000 0.193 236 D C 1.997 178.223 176.300 -0.124 0.000 0.998 236 D CA 2.187 56.137 54.000 -0.083 0.000 0.836 236 D CB 0.217 41.005 40.800 -0.021 0.000 0.951 236 D HN 0.694 nan 8.370 nan 0.000 0.449 237 A N -0.338 122.238 122.820 -0.406 0.000 1.933 237 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 237 A C 2.486 180.013 177.584 -0.096 0.000 1.175 237 A CA 1.583 53.347 52.037 -0.455 0.000 0.628 237 A CB -0.709 17.065 19.000 -2.043 0.000 0.814 237 A HN 0.241 nan 8.150 nan 0.000 0.444 238 V N -0.241 119.392 119.914 -0.469 0.000 2.307 238 V HA -0.233 3.887 4.120 -0.001 0.000 0.245 238 V C 2.595 178.596 176.094 -0.155 0.000 1.045 238 V CA 2.201 64.150 62.300 -0.585 0.000 1.024 238 V CB -0.798 30.438 31.823 -0.978 0.000 0.651 238 V HN 0.626 nan 8.190 nan 0.000 0.449 239 R N -0.141 120.324 120.500 -0.059 0.000 2.091 239 R HA -0.168 4.171 4.340 -0.001 0.000 0.238 239 R C 2.576 178.996 176.300 0.200 0.000 1.136 239 R CA 1.620 57.775 56.100 0.093 0.000 0.959 239 R CB -0.155 30.181 30.300 0.061 0.000 0.856 239 R HN 0.449 nan 8.270 nan 0.000 0.437 240 R N -1.152 119.506 120.500 0.264 0.000 2.073 240 R HA -0.202 4.137 4.340 -0.001 0.000 0.234 240 R C 2.193 178.777 176.300 0.473 0.000 1.134 240 R CA 1.920 58.254 56.100 0.390 0.000 0.952 240 R CB -0.557 30.036 30.300 0.489 0.000 0.850 240 R HN 0.321 nan 8.270 nan 0.000 0.433 241 Y N 1.131 121.632 120.300 0.334 0.000 2.128 241 Y HA -0.242 4.307 4.550 -0.001 0.000 0.284 241 Y C 2.043 178.092 175.900 0.250 0.000 1.154 241 Y CA 1.452 59.605 58.100 0.089 0.000 1.149 241 Y CB 0.063 38.372 38.460 -0.253 0.000 0.976 241 Y HN -0.048 nan 8.280 nan 0.000 0.505 242 I N 0.077 120.916 120.570 0.448 0.000 2.233 242 I HA -0.266 3.904 4.170 -0.001 0.000 0.243 242 I C 2.365 178.629 176.117 0.245 0.000 1.093 242 I CA 1.457 62.981 61.300 0.373 0.000 1.380 242 I CB -1.113 37.140 38.000 0.423 0.000 1.067 242 I HN 0.329 nan 8.210 nan 0.000 0.413 243 I N 0.619 121.329 120.570 0.234 0.000 2.353 243 I HA -0.227 3.942 4.170 -0.001 0.000 0.248 243 I C 2.236 178.469 176.117 0.194 0.000 1.119 243 I CA 1.132 62.550 61.300 0.195 0.000 1.417 243 I CB -0.358 37.745 38.000 0.172 0.000 1.078 243 I HN 0.246 nan 8.210 nan 0.000 0.421 244 E N 1.126 121.478 120.200 0.253 0.000 2.274 244 E HA -0.128 4.222 4.350 -0.001 0.000 0.194 244 E C 2.297 178.960 176.600 0.105 0.000 0.996 244 E CA 0.886 57.471 56.400 0.309 0.000 0.840 244 E CB -0.069 29.950 29.700 0.531 0.000 0.772 244 E HN 0.491 nan 8.360 nan 0.000 0.491 245 A N 2.507 125.281 122.820 -0.077 0.000 1.851 245 A HA -0.141 4.179 4.320 -0.001 0.000 0.216 245 A C -0.163 177.409 177.584 -0.020 0.000 1.195 245 A CA 1.370 53.145 52.037 -0.436 0.000 0.622 245 A CB -1.530 17.143 19.000 -0.545 0.000 0.831 245 A HN 0.172 nan 8.150 nan 0.000 0.444 246 P HA -0.122 nan 4.420 nan 0.000 0.217 246 P C 1.303 178.627 177.300 0.040 0.000 1.150 246 P CA 0.910 64.087 63.100 0.129 0.000 0.832 246 P CB -0.174 31.657 31.700 0.219 0.000 0.787 247 L N -1.546 119.631 121.223 -0.078 0.000 2.083 247 L HA -0.143 4.196 4.340 -0.001 0.000 0.209 247 L C 2.813 179.274 176.870 -0.682 0.000 1.083 247 L CA 1.604 56.287 54.840 -0.262 0.000 0.752 247 L CB -2.124 39.839 42.059 -0.159 0.000 0.899 247 L HN -0.065 nan 8.230 nan 0.000 0.433 248 Y N -1.231 118.435 120.300 -1.056 0.000 2.128 248 Y HA -0.295 4.255 4.550 -0.001 0.000 0.284 248 Y C 2.269 177.992 175.900 -0.295 0.000 1.154 248 Y CA 1.476 59.039 58.100 -0.895 0.000 1.149 248 Y CB -0.611 37.577 38.460 -0.453 0.000 0.976 248 Y HN 0.117 nan 8.280 nan 0.000 0.505 249 W N 0.278 121.496 121.300 -0.138 0.000 2.358 249 W HA -0.184 4.476 4.660 -0.001 0.000 0.303 249 W C 2.350 178.838 176.519 -0.051 0.000 1.208 249 W CA 1.515 58.816 57.345 -0.074 0.000 1.274 249 W CB -0.544 28.884 29.460 -0.054 0.000 1.138 249 W HN 0.070 nan 8.180 nan 0.000 0.515 250 L N -0.709 120.591 121.223 0.128 0.000 2.046 250 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 250 L C 2.339 179.225 176.870 0.027 0.000 1.077 250 L CA 1.594 56.480 54.840 0.077 0.000 0.747 250 L CB -1.145 40.933 42.059 0.032 0.000 0.896 250 L HN -0.049 nan 8.230 nan 0.000 0.432 251 T N -1.544 112.984 114.554 -0.043 0.000 2.809 251 T HA -0.159 4.191 4.350 -0.001 0.000 0.260 251 T C 1.762 176.467 174.700 0.009 0.000 1.039 251 T CA 1.236 63.327 62.100 -0.014 0.000 1.141 251 T CB -0.024 68.914 68.868 0.117 0.000 0.869 251 T HN 0.191 nan 8.240 nan 0.000 0.437 252 E N 0.371 120.507 120.200 -0.107 0.000 2.158 252 E HA -0.028 4.322 4.350 -0.001 0.000 0.191 252 E C 0.926 177.416 176.600 -0.183 0.000 0.982 252 E CA 1.049 57.329 56.400 -0.199 0.000 0.823 252 E CB -0.188 29.127 29.700 -0.643 0.000 0.766 252 E HN 0.629 nan 8.360 nan 0.000 0.468 253 Y N -0.558 119.751 120.300 0.016 0.000 2.458 253 Y HA 0.269 4.819 4.550 -0.001 0.000 0.256 253 Y C -0.149 175.834 175.900 0.140 0.000 1.159 253 Y CA 0.461 58.626 58.100 0.108 0.000 1.261 253 Y CB 0.002 38.488 38.460 0.042 0.000 1.119 253 Y HN 0.145 nan 8.280 nan 0.000 0.524 254 H N -0.524 118.503 119.070 -0.072 0.000 2.791 254 H HA -0.184 4.372 4.556 -0.001 0.000 0.302 254 H C -0.053 175.309 175.328 0.057 0.000 1.198 254 H CA -0.040 55.894 56.048 -0.189 0.000 1.145 254 H CB -1.660 27.682 29.762 -0.699 0.000 1.385 254 H HN 0.264 nan 8.280 nan 0.000 0.409 255 L N 0.600 121.938 121.223 0.192 0.000 2.466 255 L HA 0.043 4.383 4.340 -0.001 0.000 0.257 255 L C 1.523 178.504 176.870 0.185 0.000 1.189 255 L CA 0.140 55.091 54.840 0.185 0.000 0.813 255 L CB 0.409 42.554 42.059 0.142 0.000 1.118 255 L HN 0.213 nan 8.230 nan 0.000 0.471 256 D N 0.513 121.051 120.400 0.229 0.000 2.369 256 D HA 0.252 4.891 4.640 -0.001 0.000 0.211 256 D C 0.515 176.891 176.300 0.127 0.000 1.077 256 D CA 0.407 54.534 54.000 0.210 0.000 0.842 256 D CB 1.196 42.226 40.800 0.385 0.000 0.947 256 D HN 0.690 nan 8.370 nan 0.000 0.509 257 G N 0.112 108.988 108.800 0.128 0.000 2.324 257 G HA2 0.387 4.346 3.960 -0.001 0.000 0.293 257 G HA3 0.387 4.346 3.960 -0.001 0.000 0.293 257 G C -2.078 172.870 174.900 0.080 0.000 1.297 257 G CA -0.891 44.275 45.100 0.111 0.000 0.853 257 G HN 0.041 nan 8.290 nan 0.000 0.535 258 L N -0.127 121.129 121.223 0.055 0.000 2.434 258 L HA 0.720 5.059 4.340 -0.001 0.000 0.260 258 L C -0.233 176.597 176.870 -0.066 0.000 0.983 258 L CA -1.069 53.700 54.840 -0.119 0.000 0.820 258 L CB 2.538 44.368 42.059 -0.383 0.000 1.361 258 L HN 0.596 nan 8.230 nan 0.000 0.410 259 R N 2.083 122.486 120.500 -0.161 0.000 2.310 259 R HA 0.428 4.768 4.340 -0.001 0.000 0.324 259 R C -1.792 174.362 176.300 -0.243 0.000 0.955 259 R CA -0.448 55.601 56.100 -0.085 0.000 0.830 259 R CB 0.746 31.032 30.300 -0.024 0.000 1.154 259 R HN 0.409 nan 8.270 nan 0.000 0.458 260 F N 2.984 122.871 119.950 -0.105 0.000 2.413 260 F HA 0.128 4.654 4.527 -0.001 0.000 0.359 260 F C 0.938 176.631 175.800 -0.179 0.000 1.122 260 F CA -0.465 57.472 58.000 -0.105 0.000 1.160 260 F CB 0.808 39.764 39.000 -0.073 0.000 1.146 260 F HN 0.492 nan 8.300 nan 0.000 0.514 261 D N 3.175 123.568 120.400 -0.013 0.000 2.455 261 D HA 0.311 4.950 4.640 -0.001 0.000 0.241 261 D C 0.378 176.682 176.300 0.007 0.000 1.138 261 D CA 0.448 54.416 54.000 -0.054 0.000 0.877 261 D CB 0.791 41.610 40.800 0.032 0.000 1.187 261 D HN 0.854 nan 8.370 nan 0.000 0.451 262 A N 3.603 126.395 122.820 -0.046 0.000 2.364 262 A HA -0.223 4.096 4.320 -0.001 0.000 0.288 262 A C 1.466 179.109 177.584 0.099 0.000 1.433 262 A CA 1.112 53.179 52.037 0.050 0.000 0.757 262 A CB -2.174 16.899 19.000 0.123 0.000 1.098 262 A HN 0.782 nan 8.150 nan 0.000 0.380 263 I N -1.747 118.838 120.570 0.025 0.000 2.756 263 I HA -0.168 4.002 4.170 -0.001 0.000 0.262 263 I C 1.727 177.852 176.117 0.012 0.000 1.225 263 I CA 1.530 62.828 61.300 -0.004 0.000 1.472 263 I CB -0.388 37.526 38.000 -0.143 0.000 1.094 263 I HN 0.576 nan 8.210 nan 0.000 0.454 264 D N 0.394 120.810 120.400 0.027 0.000 2.350 264 D HA -0.200 4.440 4.640 -0.001 0.000 0.216 264 D C 1.252 177.598 176.300 0.077 0.000 0.968 264 D CA 0.692 54.710 54.000 0.030 0.000 0.894 264 D CB -0.279 40.531 40.800 0.017 0.000 0.909 264 D HN 0.532 nan 8.370 nan 0.000 0.520 265 Q N 0.293 120.180 119.800 0.146 0.000 2.189 265 Q HA 0.308 4.647 4.340 -0.001 0.000 0.221 265 Q C 0.153 176.305 176.000 0.254 0.000 0.848 265 Q CA -0.123 55.794 55.803 0.189 0.000 1.007 265 Q CB 1.101 30.007 28.738 0.280 0.000 1.116 265 Q HN 0.445 nan 8.270 nan 0.000 0.481 266 I N 1.466 122.165 120.570 0.214 0.000 2.377 266 I HA 0.182 4.352 4.170 -0.001 0.000 0.282 266 I C 0.178 176.431 176.117 0.226 0.000 1.091 266 I CA -0.269 61.164 61.300 0.223 0.000 1.207 266 I CB 0.682 38.729 38.000 0.079 0.000 1.429 266 I HN -0.066 nan 8.210 nan 0.000 0.491 267 E N 5.109 125.489 120.200 0.300 0.000 2.167 267 E HA 0.196 4.545 4.350 -0.001 0.000 0.284 267 E C -1.205 175.536 176.600 0.234 0.000 1.016 267 E CA -0.350 56.195 56.400 0.241 0.000 0.817 267 E CB 1.081 30.888 29.700 0.178 0.000 1.080 267 E HN 0.376 nan 8.360 nan 0.000 0.397 268 D N 2.305 122.741 120.400 0.059 0.000 2.855 268 D HA 0.085 4.724 4.640 -0.001 0.000 0.241 268 D C -0.173 176.127 176.300 -0.001 0.000 1.277 268 D CA -0.512 53.458 54.000 -0.050 0.000 0.918 268 D CB 1.635 42.103 40.800 -0.554 0.000 1.462 268 D HN 0.283 nan 8.370 nan 0.000 0.559 269 S N 0.978 116.708 115.700 0.050 0.000 2.577 269 S HA 0.171 4.640 4.470 -0.001 0.000 0.219 269 S C 0.556 175.181 174.600 0.041 0.000 0.962 269 S CA -0.463 57.767 58.200 0.050 0.000 0.921 269 S CB -0.123 63.103 63.200 0.043 0.000 0.789 269 S HN 0.247 nan 8.310 nan 0.000 0.497 270 S N 1.777 117.491 115.700 0.023 0.000 2.573 270 S HA 0.462 4.931 4.470 -0.001 0.000 0.277 270 S C 1.639 176.257 174.600 0.030 0.000 1.346 270 S CA 0.044 58.257 58.200 0.022 0.000 1.034 270 S CB 0.697 63.899 63.200 0.004 0.000 0.879 270 S HN 0.620 nan 8.310 nan 0.000 0.528 271 A N 2.307 125.146 122.820 0.031 0.000 1.940 271 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 271 A C 1.292 178.901 177.584 0.042 0.000 1.176 271 A CA 1.338 53.396 52.037 0.035 0.000 0.631 271 A CB -0.187 18.829 19.000 0.028 0.000 0.814 271 A HN 0.712 nan 8.150 nan 0.000 0.446 272 R N -0.006 120.518 120.500 0.038 0.000 2.310 272 R HA 0.214 4.554 4.340 -0.001 0.000 0.324 272 R C -0.636 175.698 176.300 0.057 0.000 0.955 272 R CA -0.646 55.483 56.100 0.049 0.000 0.830 272 R CB 0.259 30.579 30.300 0.034 0.000 1.154 272 R HN 0.555 nan 8.270 nan 0.000 0.458 273 H N 3.940 123.007 119.070 -0.006 0.000 2.928 273 H HA -0.055 4.500 4.556 -0.001 0.000 0.338 273 H C 1.141 176.442 175.328 -0.044 0.000 1.047 273 H CA 0.644 56.676 56.048 -0.026 0.000 1.435 273 H CB 1.587 31.326 29.762 -0.037 0.000 1.428 273 H HN 0.544 nan 8.280 nan 0.000 0.590 274 V N 6.083 125.833 119.914 -0.274 0.000 2.370 274 V HA -0.287 3.832 4.120 -0.001 0.000 0.252 274 V C 2.321 178.435 176.094 0.034 0.000 1.068 274 V CA 2.122 64.337 62.300 -0.141 0.000 1.061 274 V CB -0.457 31.159 31.823 -0.346 0.000 0.656 274 V HN 0.742 nan 8.190 nan 0.000 0.455 275 L N -1.034 120.335 121.223 0.244 0.000 2.093 275 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 275 L C 2.443 179.413 176.870 0.166 0.000 1.085 275 L CA 1.281 56.208 54.840 0.145 0.000 0.755 275 L CB -0.531 41.531 42.059 0.006 0.000 0.904 275 L HN 0.236 nan 8.230 nan 0.000 0.435 276 V N -0.065 119.936 119.914 0.146 0.000 2.295 276 V HA -0.302 3.817 4.120 -0.001 0.000 0.246 276 V C 2.461 178.558 176.094 0.005 0.000 1.049 276 V CA 2.046 64.385 62.300 0.064 0.000 1.024 276 V CB -0.448 31.410 31.823 0.058 0.000 0.648 276 V HN 0.504 nan 8.190 nan 0.000 0.447 277 E N 0.052 120.270 120.200 0.029 0.000 2.077 277 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 277 E C 2.202 178.801 176.600 -0.001 0.000 0.989 277 E CA 1.598 58.006 56.400 0.014 0.000 0.800 277 E CB -0.170 29.547 29.700 0.030 0.000 0.746 277 E HN 0.601 nan 8.360 nan 0.000 0.452 278 I N 0.939 121.513 120.570 0.007 0.000 2.127 278 I HA -0.317 3.852 4.170 -0.001 0.000 0.241 278 I C 2.593 178.651 176.117 -0.097 0.000 1.075 278 I CA 1.292 62.595 61.300 0.006 0.000 1.334 278 I CB -0.380 37.646 38.000 0.044 0.000 1.040 278 I HN 0.217 nan 8.210 nan 0.000 0.405 279 A N -0.049 122.615 122.820 -0.261 0.000 1.902 279 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 279 A C 2.239 179.667 177.584 -0.259 0.000 1.181 279 A CA 1.654 53.405 52.037 -0.475 0.000 0.623 279 A CB -0.686 17.736 19.000 -0.963 0.000 0.818 279 A HN 0.491 nan 8.150 nan 0.000 0.443 280 Q N -0.799 118.902 119.800 -0.165 0.000 2.084 280 Q HA -0.178 4.161 4.340 -0.001 0.000 0.202 280 Q C 2.373 178.334 176.000 -0.065 0.000 0.978 280 Q CA 1.656 57.398 55.803 -0.101 0.000 0.844 280 Q CB -0.176 28.525 28.738 -0.061 0.000 0.898 280 Q HN 0.624 nan 8.270 nan 0.000 0.426 281 R N 0.153 120.630 120.500 -0.038 0.000 2.092 281 R HA -0.070 4.269 4.340 -0.001 0.000 0.231 281 R C 2.232 178.530 176.300 -0.004 0.000 1.119 281 R CA 1.083 57.184 56.100 0.001 0.000 0.970 281 R CB -0.215 30.111 30.300 0.043 0.000 0.864 281 R HN 0.265 nan 8.270 nan 0.000 0.440 282 I N 0.254 120.805 120.570 -0.032 0.000 2.226 282 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 282 I C 2.125 178.205 176.117 -0.061 0.000 1.100 282 I CA 1.207 62.485 61.300 -0.037 0.000 1.374 282 I CB -0.088 37.880 38.000 -0.054 0.000 1.057 282 I HN 0.007 nan 8.210 nan 0.000 0.413 283 R N 0.718 121.164 120.500 -0.090 0.000 2.115 283 R HA -0.097 4.242 4.340 -0.001 0.000 0.226 283 R C 2.038 178.302 176.300 -0.059 0.000 1.100 283 R CA 0.982 57.029 56.100 -0.088 0.000 0.980 283 R CB -0.321 29.914 30.300 -0.108 0.000 0.875 283 R HN 0.411 nan 8.270 nan 0.000 0.445 284 E N -0.112 120.062 120.200 -0.044 0.000 2.046 284 E HA -0.128 4.222 4.350 -0.001 0.000 0.190 284 E C 1.011 177.600 176.600 -0.018 0.000 0.982 284 E CA 1.312 57.696 56.400 -0.027 0.000 0.800 284 E CB 0.050 29.741 29.700 -0.015 0.000 0.756 284 E HN 0.268 nan 8.360 nan 0.000 0.449 285 D N -0.165 120.232 120.400 -0.004 0.000 2.249 285 D HA 0.053 4.692 4.640 -0.001 0.000 0.205 285 D C 0.291 176.588 176.300 -0.004 0.000 0.962 285 D CA 0.747 54.756 54.000 0.015 0.000 0.860 285 D CB 0.426 41.264 40.800 0.063 0.000 0.955 285 D HN 0.108 nan 8.370 nan 0.000 0.505 286 I N 0.845 121.400 120.570 -0.026 0.000 2.390 286 I HA 0.148 4.317 4.170 -0.001 0.000 0.283 286 I C 0.503 176.580 176.117 -0.067 0.000 1.016 286 I CA -0.157 61.113 61.300 -0.050 0.000 1.151 286 I CB 1.820 39.787 38.000 -0.055 0.000 1.293 286 I HN -0.191 nan 8.210 nan 0.000 0.458 287 T N -1.471 113.040 114.554 -0.071 0.000 3.058 287 T HA 0.037 4.387 4.350 -0.001 0.000 0.278 287 T C 0.846 175.494 174.700 -0.086 0.000 0.974 287 T CA -0.142 61.914 62.100 -0.074 0.000 0.893 287 T CB -0.061 68.772 68.868 -0.059 0.000 1.138 287 T HN 0.556 nan 8.240 nan 0.000 0.529 288 D N 2.152 122.493 120.400 -0.100 0.000 2.339 288 D HA 0.053 4.692 4.640 -0.001 0.000 0.217 288 D C 0.812 177.029 176.300 -0.138 0.000 1.050 288 D CA -0.197 53.736 54.000 -0.112 0.000 0.856 288 D CB 0.074 40.805 40.800 -0.116 0.000 0.922 288 D HN 0.743 nan 8.370 nan 0.000 0.518 289 R N -1.227 119.186 120.500 -0.144 0.000 2.690 289 R HA 0.520 4.859 4.340 -0.001 0.000 0.269 289 R C -3.304 172.893 176.300 -0.171 0.000 1.037 289 R CA -1.550 54.443 56.100 -0.178 0.000 0.877 289 R CB 0.061 30.240 30.300 -0.202 0.000 1.255 289 R HN -0.277 nan 8.270 nan 0.000 0.467 290 P HA 0.183 nan 4.420 nan 0.000 0.269 290 P C -0.542 176.517 177.300 -0.401 0.000 1.209 290 P CA -0.299 62.650 63.100 -0.252 0.000 0.776 290 P CB 0.462 32.047 31.700 -0.192 0.000 0.876 291 I N 3.224 123.564 120.570 -0.384 0.000 2.439 291 I HA 0.156 4.325 4.170 -0.001 0.000 0.283 291 I C 0.122 176.056 176.117 -0.306 0.000 1.023 291 I CA -0.626 60.486 61.300 -0.314 0.000 1.100 291 I CB 0.917 38.829 38.000 -0.147 0.000 1.238 291 I HN 0.340 nan 8.210 nan 0.000 0.445 292 H N 7.063 126.123 119.070 -0.018 0.000 2.820 292 H HA 0.392 4.947 4.556 -0.001 0.000 0.278 292 H C -0.244 175.024 175.328 -0.100 0.000 1.142 292 H CA -0.370 55.579 56.048 -0.165 0.000 1.346 292 H CB 1.031 30.733 29.762 -0.100 0.000 1.438 292 H HN 0.382 nan 8.280 nan 0.000 0.473 293 L N 4.128 125.353 121.223 0.004 0.000 2.262 293 L HA 0.234 4.574 4.340 -0.001 0.000 0.288 293 L C 0.689 177.729 176.870 0.283 0.000 1.035 293 L CA -0.576 54.392 54.840 0.212 0.000 0.820 293 L CB 0.877 43.029 42.059 0.155 0.000 1.204 293 L HN 0.518 nan 8.230 nan 0.000 0.424 294 T N -0.874 113.876 114.554 0.327 0.000 2.940 294 T HA 0.778 5.127 4.350 -0.001 0.000 0.288 294 T C -0.017 174.870 174.700 0.310 0.000 1.033 294 T CA -0.703 61.589 62.100 0.320 0.000 1.033 294 T CB 2.073 71.157 68.868 0.360 0.000 1.079 294 T HN 0.527 nan 8.240 nan 0.000 0.496 295 T N -0.857 113.817 114.554 0.200 0.000 2.900 295 T HA 0.597 4.946 4.350 -0.001 0.000 0.295 295 T C -1.052 173.592 174.700 -0.093 0.000 1.044 295 T CA -0.860 61.248 62.100 0.013 0.000 0.995 295 T CB 2.155 70.947 68.868 -0.127 0.000 1.072 295 T HN 0.717 nan 8.240 nan 0.000 0.473 296 E N 1.987 122.060 120.200 -0.211 0.000 2.183 296 E HA 0.285 4.634 4.350 -0.001 0.000 0.250 296 E C -1.607 174.961 176.600 -0.054 0.000 0.901 296 E CA -0.356 55.928 56.400 -0.194 0.000 0.741 296 E CB 1.051 30.424 29.700 -0.545 0.000 1.182 296 E HN 0.727 nan 8.360 nan 0.000 0.425 297 D N 1.839 122.254 120.400 0.023 0.000 2.505 297 D HA 0.143 4.782 4.640 -0.001 0.000 0.249 297 D C 0.713 177.017 176.300 0.006 0.000 1.082 297 D CA -0.354 53.648 54.000 0.003 0.000 0.839 297 D CB 1.815 42.614 40.800 -0.002 0.000 1.317 297 D HN 0.296 nan 8.370 nan 0.000 0.497 298 S N 2.876 118.566 115.700 -0.017 0.000 2.558 298 S HA 0.043 4.513 4.470 -0.001 0.000 0.217 298 S C 1.377 175.924 174.600 -0.089 0.000 0.975 298 S CA 0.053 58.228 58.200 -0.043 0.000 0.912 298 S CB 0.113 63.286 63.200 -0.045 0.000 0.776 298 S HN 0.448 nan 8.310 nan 0.000 0.526 299 R N 1.199 121.647 120.500 -0.087 0.000 2.240 299 R HA 0.205 4.545 4.340 -0.001 0.000 0.203 299 R C -0.109 176.097 176.300 -0.157 0.000 1.011 299 R CA 0.316 56.359 56.100 -0.095 0.000 1.007 299 R CB -0.279 29.988 30.300 -0.054 0.000 0.911 299 R HN 0.265 nan 8.270 nan 0.000 0.468 300 N N 0.745 119.262 118.700 -0.306 0.000 2.735 300 N HA -0.157 4.583 4.740 -0.001 0.000 0.248 300 N C -0.340 175.091 175.510 -0.132 0.000 1.083 300 N CA 1.220 53.862 53.050 -0.681 0.000 0.703 300 N CB -1.566 36.448 38.487 -0.788 0.000 1.005 300 N HN 0.438 nan 8.380 nan 0.000 0.550 301 I N -2.609 117.980 120.570 0.032 0.000 2.970 301 I HA 0.393 4.562 4.170 -0.001 0.000 0.310 301 I C 1.744 178.048 176.117 0.312 0.000 1.010 301 I CA -0.636 60.762 61.300 0.163 0.000 1.228 301 I CB 0.693 38.743 38.000 0.082 0.000 1.433 301 I HN 0.087 nan 8.210 nan 0.000 0.573 302 I N -1.073 119.653 120.570 0.260 0.000 4.338 302 I HA 0.159 4.328 4.170 -0.001 0.000 0.329 302 I C 1.678 177.909 176.117 0.191 0.000 1.378 302 I CA 0.322 61.767 61.300 0.242 0.000 1.170 302 I CB 0.450 38.559 38.000 0.181 0.000 1.206 302 I HN 0.712 nan 8.210 nan 0.000 0.432 303 S N 1.852 117.630 115.700 0.131 0.000 2.442 303 S HA 0.020 4.489 4.470 -0.001 0.000 0.236 303 S C 1.681 176.305 174.600 0.040 0.000 1.007 303 S CA 0.847 59.089 58.200 0.070 0.000 0.965 303 S CB -0.671 62.551 63.200 0.038 0.000 0.773 303 S HN 0.609 nan 8.310 nan 0.000 0.504 304 L N 0.173 121.415 121.223 0.030 0.000 2.591 304 L HA 0.254 4.594 4.340 -0.001 0.000 0.228 304 L C 0.391 177.094 176.870 -0.278 0.000 1.133 304 L CA 0.388 55.163 54.840 -0.108 0.000 0.880 304 L CB -0.233 41.661 42.059 -0.276 0.000 1.033 304 L HN 0.368 nan 8.230 nan 0.000 0.450 305 H N -1.340 117.763 119.070 0.055 0.000 2.587 305 H HA 0.209 4.764 4.556 -0.001 0.000 0.245 305 H C -2.272 173.052 175.328 -0.007 0.000 1.238 305 H CA -1.609 54.454 56.048 0.025 0.000 0.963 305 H CB -0.148 29.596 29.762 -0.031 0.000 1.904 305 H HN 0.062 nan 8.280 nan 0.000 0.584 306 P HA 0.168 nan 4.420 nan 0.000 0.274 306 P C -0.079 177.236 177.300 0.025 0.000 1.246 306 P CA -0.337 62.786 63.100 0.039 0.000 0.795 306 P CB 1.542 33.254 31.700 0.020 0.000 1.006 307 R N 1.214 121.729 120.500 0.025 0.000 2.686 307 R HA 0.364 4.704 4.340 -0.001 0.000 0.286 307 R C -0.023 176.288 176.300 0.017 0.000 0.969 307 R CA -0.685 55.427 56.100 0.020 0.000 0.898 307 R CB 1.119 31.438 30.300 0.031 0.000 1.183 307 R HN 0.571 nan 8.270 nan 0.000 0.456 308 D N 0.689 121.095 120.400 0.010 0.000 2.451 308 D HA -0.001 4.639 4.640 -0.001 0.000 0.259 308 D C 1.075 177.384 176.300 0.015 0.000 1.201 308 D CA -0.402 53.603 54.000 0.009 0.000 1.028 308 D CB 0.571 41.371 40.800 0.001 0.000 1.095 308 D HN 0.273 nan 8.370 nan 0.000 0.539 309 Q N 0.453 120.262 119.800 0.014 0.000 2.197 309 Q HA -0.223 4.117 4.340 -0.001 0.000 0.207 309 Q C 0.479 176.490 176.000 0.017 0.000 0.984 309 Q CA 2.017 57.830 55.803 0.017 0.000 0.869 309 Q CB -1.048 27.699 28.738 0.014 0.000 0.906 309 Q HN 0.785 nan 8.270 nan 0.000 0.426 310 D N -1.113 119.294 120.400 0.012 0.000 2.340 310 D HA 0.288 4.927 4.640 -0.001 0.000 0.217 310 D C 0.929 177.238 176.300 0.015 0.000 1.081 310 D CA 0.515 54.522 54.000 0.011 0.000 0.842 310 D CB 0.232 41.035 40.800 0.005 0.000 0.934 310 D HN 0.381 nan 8.370 nan 0.000 0.511 311 G N -0.107 108.706 108.800 0.020 0.000 2.157 311 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.248 311 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.248 311 G C -0.113 174.803 174.900 0.027 0.000 0.979 311 G CA -0.290 44.827 45.100 0.028 0.000 0.650 311 G HN 0.355 nan 8.290 nan 0.000 0.529 312 N N 0.777 119.485 118.700 0.014 0.000 2.525 312 N HA 0.547 5.287 4.740 -0.001 0.000 0.271 312 N C 0.293 175.800 175.510 -0.006 0.000 1.194 312 N CA 0.701 53.753 53.050 0.003 0.000 0.964 312 N CB 1.336 39.817 38.487 -0.010 0.000 1.126 312 N HN 0.749 nan 8.380 nan 0.000 0.452 313 A N 2.668 125.475 122.820 -0.022 0.000 2.412 313 A HA 0.358 4.678 4.320 -0.001 0.000 0.334 313 A C -1.305 176.231 177.584 -0.080 0.000 1.419 313 A CA -1.196 50.815 52.037 -0.043 0.000 0.930 313 A CB 0.541 19.508 19.000 -0.055 0.000 1.149 313 A HN 0.468 nan 8.150 nan 0.000 0.515 314 P HA -0.059 nan 4.420 nan 0.000 0.221 314 P C 0.766 177.970 177.300 -0.160 0.000 1.150 314 P CA 0.813 63.855 63.100 -0.097 0.000 0.800 314 P CB 0.395 32.054 31.700 -0.068 0.000 0.787 315 L N -2.513 118.598 121.223 -0.185 0.000 2.666 315 L HA 0.332 4.671 4.340 -0.001 0.000 0.213 315 L C 0.801 177.391 176.870 -0.466 0.000 1.734 315 L CA -0.776 53.866 54.840 -0.329 0.000 2.979 315 L CB -0.696 41.259 42.059 -0.173 0.000 2.784 315 L HN -0.272 nan 8.230 nan 0.000 0.797 316 F N -0.164 119.605 119.950 -0.302 0.000 2.382 316 F HA 0.169 4.696 4.527 -0.001 0.000 0.331 316 F C 1.477 177.187 175.800 -0.150 0.000 1.121 316 F CA -0.184 57.637 58.000 -0.299 0.000 1.183 316 F CB 0.898 39.568 39.000 -0.550 0.000 1.207 316 F HN 0.193 nan 8.300 nan 0.000 0.555 317 T N 0.834 115.413 114.554 0.041 0.000 2.852 317 T HA 0.343 4.693 4.350 -0.001 0.000 0.256 317 T C 0.395 175.070 174.700 -0.043 0.000 1.038 317 T CA 1.081 63.092 62.100 -0.149 0.000 1.141 317 T CB 0.027 68.584 68.868 -0.519 0.000 0.869 317 T HN 0.627 nan 8.240 nan 0.000 0.439 318 A N 0.664 123.544 122.820 0.100 0.000 2.609 318 A HA 0.712 5.031 4.320 -0.001 0.000 0.291 318 A C -1.711 175.932 177.584 0.098 0.000 1.096 318 A CA -0.733 51.355 52.037 0.085 0.000 0.684 318 A CB 1.680 20.825 19.000 0.240 0.000 1.282 318 A HN 0.115 nan 8.150 nan 0.000 0.412 319 E N 0.297 120.414 120.200 -0.137 0.000 2.199 319 E HA 0.565 4.914 4.350 -0.001 0.000 0.269 319 E C -1.665 175.160 176.600 0.375 0.000 0.899 319 E CA -0.453 55.940 56.400 -0.012 0.000 0.772 319 E CB 0.628 30.126 29.700 -0.336 0.000 1.155 319 E HN 0.480 nan 8.360 nan 0.000 0.408 320 W N 3.698 125.113 121.300 0.192 0.000 2.397 320 W HA 0.151 4.811 4.660 -0.001 0.000 0.327 320 W C 0.438 177.139 176.519 0.304 0.000 1.421 320 W CA -0.042 57.496 57.345 0.321 0.000 1.288 320 W CB 0.032 29.698 29.460 0.342 0.000 1.312 320 W HN 0.474 nan 8.180 nan 0.000 0.559 321 N N 2.955 121.878 118.700 0.372 0.000 3.234 321 N HA 0.044 4.784 4.740 -0.001 0.000 0.272 321 N C 0.402 175.968 175.510 0.094 0.000 1.254 321 N CA -0.069 53.172 53.050 0.318 0.000 1.087 321 N CB -0.020 38.633 38.487 0.277 0.000 1.356 321 N HN 0.217 nan 8.380 nan 0.000 0.511 322 D N 0.184 120.705 120.400 0.201 0.000 2.263 322 D HA -0.120 4.519 4.640 -0.001 0.000 0.208 322 D C 0.869 177.227 176.300 0.097 0.000 0.971 322 D CA 0.844 54.943 54.000 0.164 0.000 0.867 322 D CB 0.263 41.223 40.800 0.267 0.000 0.929 322 D HN 0.458 nan 8.370 nan 0.000 0.492 323 D N -0.315 120.178 120.400 0.155 0.000 2.158 323 D HA -0.192 4.447 4.640 -0.001 0.000 0.197 323 D C 1.616 177.895 176.300 -0.035 0.000 0.995 323 D CA 0.539 54.615 54.000 0.127 0.000 0.846 323 D CB -0.355 40.669 40.800 0.373 0.000 0.941 323 D HN 0.245 nan 8.370 nan 0.000 0.456 324 F N 1.086 120.983 119.950 -0.089 0.000 2.051 324 F HA -0.242 4.285 4.527 -0.001 0.000 0.296 324 F C 2.476 178.168 175.800 -0.180 0.000 1.122 324 F CA 1.800 59.724 58.000 -0.126 0.000 1.201 324 F CB -0.469 38.457 39.000 -0.124 0.000 0.978 324 F HN 0.088 nan 8.300 nan 0.000 0.472 325 H N 0.525 119.475 119.070 -0.201 0.000 2.319 325 H HA -0.187 4.368 4.556 -0.001 0.000 0.297 325 H C 1.750 176.999 175.328 -0.131 0.000 1.097 325 H CA 2.130 58.083 56.048 -0.159 0.000 1.285 325 H CB -0.453 29.342 29.762 0.054 0.000 1.368 325 H HN 0.280 nan 8.280 nan 0.000 0.495 326 N N 0.729 119.289 118.700 -0.232 0.000 2.188 326 N HA -0.079 4.660 4.740 -0.001 0.000 0.184 326 N C 2.137 177.299 175.510 -0.581 0.000 1.018 326 N CA 1.267 54.154 53.050 -0.272 0.000 0.858 326 N CB -0.609 37.657 38.487 -0.368 0.000 0.989 326 N HN 0.456 nan 8.380 nan 0.000 0.426 327 A N 0.773 123.126 122.820 -0.779 0.000 1.877 327 A HA -0.068 4.252 4.320 -0.001 0.000 0.216 327 A C 2.498 179.919 177.584 -0.272 0.000 1.186 327 A CA 1.243 53.043 52.037 -0.395 0.000 0.620 327 A CB -0.846 18.024 19.000 -0.217 0.000 0.822 327 A HN 0.089 nan 8.150 nan 0.000 0.443 328 V N -0.376 119.267 119.914 -0.453 0.000 2.332 328 V HA -0.322 3.798 4.120 -0.001 0.000 0.248 328 V C 2.467 178.456 176.094 -0.176 0.000 1.055 328 V CA 2.633 64.732 62.300 -0.336 0.000 1.038 328 V CB -0.993 30.516 31.823 -0.523 0.000 0.651 328 V HN 0.859 nan 8.190 nan 0.000 0.450 329 H N -0.310 118.498 119.070 -0.437 0.000 2.321 329 H HA -0.146 4.409 4.556 -0.001 0.000 0.300 329 H C 2.084 177.218 175.328 -0.323 0.000 1.087 329 H CA 2.327 58.118 56.048 -0.429 0.000 1.319 329 H CB -0.136 29.247 29.762 -0.631 0.000 1.379 329 H HN 0.182 nan 8.280 nan 0.000 0.501 330 V N 0.317 120.131 119.914 -0.167 0.000 2.295 330 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 330 V C 2.275 178.360 176.094 -0.014 0.000 1.049 330 V CA 1.885 64.133 62.300 -0.086 0.000 1.024 330 V CB -0.905 30.974 31.823 0.095 0.000 0.648 330 V HN 0.429 nan 8.190 nan 0.000 0.447 331 F N 1.542 121.422 119.950 -0.117 0.000 2.120 331 F HA -0.226 4.300 4.527 -0.001 0.000 0.300 331 F C 2.117 177.858 175.800 -0.099 0.000 1.095 331 F CA 1.851 59.803 58.000 -0.080 0.000 1.249 331 F CB -0.337 38.613 39.000 -0.084 0.000 0.995 331 F HN 0.089 nan 8.300 nan 0.000 0.480 332 A N -1.535 121.217 122.820 -0.113 0.000 2.169 332 A HA 0.094 4.414 4.320 -0.001 0.000 0.210 332 A C 1.878 179.322 177.584 -0.233 0.000 1.168 332 A CA 1.165 53.080 52.037 -0.202 0.000 0.813 332 A CB -0.847 18.101 19.000 -0.087 0.000 0.861 332 A HN 0.464 nan 8.150 nan 0.000 0.481 333 T N -6.318 108.047 114.554 -0.314 0.000 2.959 333 T HA 0.408 4.757 4.350 -0.001 0.000 0.254 333 T C 1.494 176.050 174.700 -0.240 0.000 1.003 333 T CA 1.177 63.080 62.100 -0.329 0.000 0.950 333 T CB 0.278 68.797 68.868 -0.581 0.000 1.090 333 T HN 1.587 nan 8.240 nan 0.000 0.503 334 G N 1.639 110.317 108.800 -0.204 0.000 2.184 334 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.264 334 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.264 334 G C -0.169 174.675 174.900 -0.094 0.000 0.975 334 G CA 0.313 45.345 45.100 -0.114 0.000 0.642 334 G HN 0.694 nan 8.290 nan 0.000 0.536 335 E N 0.508 120.611 120.200 -0.162 0.000 2.360 335 E HA 0.415 4.765 4.350 -0.001 0.000 0.269 335 E C 1.206 177.790 176.600 -0.026 0.000 1.022 335 E CA 0.747 57.097 56.400 -0.082 0.000 0.887 335 E CB 0.520 30.174 29.700 -0.077 0.000 0.990 335 E HN 0.476 nan 8.360 nan 0.000 0.426 336 T N -0.904 113.694 114.554 0.073 0.000 3.262 336 T HA -0.035 4.314 4.350 -0.001 0.000 0.300 336 T C 0.220 175.020 174.700 0.166 0.000 0.959 336 T CA -0.721 61.463 62.100 0.139 0.000 0.936 336 T CB 0.272 69.203 68.868 0.106 0.000 1.169 336 T HN 0.393 nan 8.240 nan 0.000 0.532 337 Q N 1.864 121.772 119.800 0.181 0.000 2.354 337 Q HA 0.662 5.001 4.340 -0.001 0.000 0.244 337 Q C 0.848 176.907 176.000 0.098 0.000 0.969 337 Q CA 0.423 56.319 55.803 0.155 0.000 0.885 337 Q CB 0.996 29.861 28.738 0.212 0.000 1.241 337 Q HN 0.673 nan 8.270 nan 0.000 0.461 338 A N 1.934 124.787 122.820 0.056 0.000 5.479 338 A HA -0.392 3.927 4.320 -0.001 0.000 0.301 338 A C 0.910 178.493 177.584 -0.003 0.000 1.961 338 A CA 1.926 53.974 52.037 0.017 0.000 0.716 338 A CB -2.424 16.586 19.000 0.017 0.000 1.266 338 A HN 1.346 nan 8.150 nan 0.000 0.372 339 Y N -2.117 118.141 120.300 -0.070 0.000 2.403 339 Y HA 0.009 4.558 4.550 -0.001 0.000 0.291 339 Y C 1.861 177.780 175.900 0.032 0.000 1.143 339 Y CA 1.917 59.963 58.100 -0.090 0.000 1.257 339 Y CB -0.779 37.581 38.460 -0.167 0.000 0.984 339 Y HN 0.512 nan 8.280 nan 0.000 0.550 340 Y N 1.234 121.430 120.300 -0.172 0.000 2.497 340 Y HA -0.138 4.412 4.550 -0.001 0.000 0.292 340 Y C 2.391 178.389 175.900 0.163 0.000 1.137 340 Y CA 0.772 58.906 58.100 0.058 0.000 1.285 340 Y CB -0.773 37.640 38.460 -0.078 0.000 0.991 340 Y HN 0.416 nan 8.280 nan 0.000 0.556 341 N N 0.478 119.295 118.700 0.194 0.000 2.364 341 N HA -0.173 4.566 4.740 -0.001 0.000 0.183 341 N C 0.556 176.095 175.510 0.048 0.000 1.022 341 N CA 1.092 54.216 53.050 0.123 0.000 0.883 341 N CB -0.061 38.468 38.487 0.070 0.000 0.965 341 N HN 0.319 nan 8.380 nan 0.000 0.438 342 D N -0.612 119.746 120.400 -0.070 0.000 2.351 342 D HA -0.090 4.550 4.640 -0.001 0.000 0.216 342 D C 0.376 176.271 176.300 -0.676 0.000 0.968 342 D CA 0.803 54.566 54.000 -0.395 0.000 0.899 342 D CB -0.111 40.243 40.800 -0.744 0.000 0.907 342 D HN 0.378 nan 8.370 nan 0.000 0.514 343 F N -1.025 118.939 119.950 0.024 0.000 2.688 343 F HA 0.410 4.937 4.527 -0.001 0.000 0.310 343 F C 1.912 177.817 175.800 0.174 0.000 1.098 343 F CA -0.418 57.568 58.000 -0.022 0.000 1.228 343 F CB 0.039 39.055 39.000 0.027 0.000 1.042 343 F HN -0.144 nan 8.300 nan 0.000 0.557 344 A N -0.664 122.300 122.820 0.241 0.000 1.969 344 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 344 A C 0.828 178.524 177.584 0.187 0.000 1.169 344 A CA 1.222 53.377 52.037 0.197 0.000 0.635 344 A CB -0.426 18.657 19.000 0.138 0.000 0.810 344 A HN 0.211 nan 8.150 nan 0.000 0.445 345 D N -0.349 120.174 120.400 0.205 0.000 2.365 345 D HA 0.446 5.086 4.640 -0.001 0.000 0.237 345 D C 0.254 176.647 176.300 0.155 0.000 1.190 345 D CA 0.737 54.830 54.000 0.155 0.000 0.867 345 D CB 0.060 40.934 40.800 0.123 0.000 1.050 345 D HN 0.855 nan 8.370 nan 0.000 0.491 346 A N 5.114 128.003 122.820 0.114 0.000 2.546 346 A HA -0.121 4.198 4.320 -0.001 0.000 0.295 346 A C -1.439 176.224 177.584 0.131 0.000 1.455 346 A CA 0.280 52.359 52.037 0.070 0.000 0.730 346 A CB -1.327 17.650 19.000 -0.039 0.000 1.111 346 A HN 0.602 nan 8.150 nan 0.000 0.411 347 P HA -0.245 nan 4.420 nan 0.000 0.218 347 P C 1.529 178.935 177.300 0.177 0.000 1.148 347 P CA 1.587 64.889 63.100 0.338 0.000 0.822 347 P CB 0.004 31.895 31.700 0.319 0.000 0.784 348 E N 1.847 122.139 120.200 0.152 0.000 2.118 348 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 348 E C 1.650 178.176 176.600 -0.124 0.000 0.992 348 E CA 1.387 57.762 56.400 -0.042 0.000 0.804 348 E CB -0.835 28.943 29.700 0.130 0.000 0.741 348 E HN 0.280 nan 8.360 nan 0.000 0.458 349 K N -0.129 120.209 120.400 -0.105 0.000 2.057 349 K HA -0.094 4.225 4.320 -0.001 0.000 0.206 349 K C 2.336 178.838 176.600 -0.163 0.000 1.050 349 K CA 1.323 57.502 56.287 -0.179 0.000 0.935 349 K CB -0.298 32.052 32.500 -0.249 0.000 0.715 349 K HN 0.308 nan 8.250 nan 0.000 0.439 350 H N 0.728 119.804 119.070 0.010 0.000 2.353 350 H HA -0.114 4.442 4.556 -0.001 0.000 0.300 350 H C 2.200 177.544 175.328 0.027 0.000 1.090 350 H CA 1.143 57.240 56.048 0.082 0.000 1.327 350 H CB -0.286 29.660 29.762 0.308 0.000 1.383 350 H HN 0.065 nan 8.280 nan 0.000 0.508 351 L N 1.109 122.351 121.223 0.031 0.000 1.994 351 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 351 L C 2.570 179.381 176.870 -0.099 0.000 1.071 351 L CA 1.989 56.742 54.840 -0.144 0.000 0.745 351 L CB -0.992 40.795 42.059 -0.453 0.000 0.892 351 L HN 0.173 nan 8.230 nan 0.000 0.431 352 A N -0.495 122.232 122.820 -0.155 0.000 1.902 352 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 352 A C 2.560 180.081 177.584 -0.106 0.000 1.181 352 A CA 1.834 53.775 52.037 -0.161 0.000 0.623 352 A CB -0.681 18.189 19.000 -0.216 0.000 0.818 352 A HN 0.520 nan 8.150 nan 0.000 0.443 353 R N -0.480 119.983 120.500 -0.062 0.000 2.081 353 R HA -0.103 4.236 4.340 -0.001 0.000 0.235 353 R C 2.335 178.655 176.300 0.034 0.000 1.131 353 R CA 1.394 57.477 56.100 -0.027 0.000 0.960 353 R CB -0.391 29.906 30.300 -0.005 0.000 0.856 353 R HN 0.457 nan 8.270 nan 0.000 0.436 354 A N 1.069 123.952 122.820 0.105 0.000 1.877 354 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 354 A C 2.194 179.898 177.584 0.200 0.000 1.186 354 A CA 1.230 53.370 52.037 0.172 0.000 0.620 354 A CB -0.615 18.540 19.000 0.258 0.000 0.822 354 A HN 0.337 nan 8.150 nan 0.000 0.443 355 L N -0.838 120.498 121.223 0.188 0.000 2.012 355 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 355 L C 3.098 180.074 176.870 0.178 0.000 1.073 355 L CA 1.321 56.271 54.840 0.184 0.000 0.748 355 L CB -0.443 41.731 42.059 0.191 0.000 0.891 355 L HN 0.456 nan 8.230 nan 0.000 0.431 356 A N -0.759 122.045 122.820 -0.026 0.000 1.897 356 A HA -0.142 4.177 4.320 -0.001 0.000 0.215 356 A C 2.004 179.604 177.584 0.026 0.000 1.181 356 A CA 1.529 53.476 52.037 -0.149 0.000 0.620 356 A CB -0.160 18.664 19.000 -0.293 0.000 0.821 356 A HN 0.499 nan 8.150 nan 0.000 0.443 357 E N -2.643 117.559 120.200 0.004 0.000 2.514 357 E HA 0.345 4.695 4.350 -0.001 0.000 0.215 357 E C 1.130 177.583 176.600 -0.246 0.000 0.946 357 E CA 0.322 56.699 56.400 -0.039 0.000 1.038 357 E CB 0.803 30.485 29.700 -0.029 0.000 1.069 357 E HN 0.617 nan 8.360 nan 0.000 0.503 358 G N 1.652 110.201 108.800 -0.418 0.000 4.013 358 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.255 358 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.255 358 G C -0.412 174.195 174.900 -0.490 0.000 1.765 358 G CA -0.382 43.906 45.100 -1.353 0.000 1.396 358 G HN 0.091 nan 8.290 nan 0.000 0.605 359 F N 2.378 122.242 119.950 -0.144 0.000 2.384 359 F HA 0.765 5.292 4.527 -0.001 0.000 0.338 359 F C 1.541 177.411 175.800 0.117 0.000 1.103 359 F CA -0.492 57.552 58.000 0.073 0.000 1.157 359 F CB 1.409 40.509 39.000 0.167 0.000 1.167 359 F HN 0.564 nan 8.300 nan 0.000 0.529 360 A N 2.626 125.698 122.820 0.419 0.000 1.929 360 A HA -0.068 4.251 4.320 -0.001 0.000 0.216 360 A C 0.146 177.838 177.584 0.181 0.000 1.176 360 A CA 0.954 53.193 52.037 0.337 0.000 0.628 360 A CB -0.742 18.575 19.000 0.527 0.000 0.816 360 A HN 0.615 nan 8.150 nan 0.000 0.444 361 Y N 0.121 120.551 120.300 0.216 0.000 2.369 361 Y HA 0.413 4.962 4.550 -0.001 0.000 0.337 361 Y C 0.517 176.504 175.900 0.146 0.000 0.961 361 Y CA -0.226 57.944 58.100 0.118 0.000 1.186 361 Y CB 1.274 39.744 38.460 0.016 0.000 1.139 361 Y HN 0.276 nan 8.280 nan 0.000 0.494 362 Q N 2.690 122.620 119.800 0.216 0.000 2.158 362 Q HA 0.321 4.660 4.340 -0.001 0.000 0.306 362 Q C 0.810 176.902 176.000 0.153 0.000 0.878 362 Q CA 0.159 56.094 55.803 0.221 0.000 1.136 362 Q CB 1.186 30.043 28.738 0.199 0.000 1.253 362 Q HN 1.104 nan 8.270 nan 0.000 0.441 363 G N 0.298 109.189 108.800 0.152 0.000 2.367 363 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.181 363 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.181 363 G C -0.100 174.866 174.900 0.111 0.000 1.000 363 G CA -0.700 44.468 45.100 0.113 0.000 0.693 363 G HN 0.274 nan 8.290 nan 0.000 0.480 364 E N 0.992 121.270 120.200 0.130 0.000 2.392 364 E HA 0.483 4.833 4.350 -0.001 0.000 0.259 364 E C 0.958 177.682 176.600 0.208 0.000 1.108 364 E CA -0.401 56.072 56.400 0.122 0.000 0.916 364 E CB 0.877 30.585 29.700 0.013 0.000 0.989 364 E HN 0.201 nan 8.360 nan 0.000 0.432 365 I N 1.729 122.386 120.570 0.145 0.000 2.618 365 I HA -0.047 4.122 4.170 -0.001 0.000 0.284 365 I C 0.623 176.839 176.117 0.166 0.000 1.146 365 I CA 0.277 61.646 61.300 0.115 0.000 1.425 365 I CB 0.278 38.318 38.000 0.066 0.000 1.383 365 I HN 0.359 nan 8.210 nan 0.000 0.562 366 S N 8.489 124.205 115.700 0.027 0.000 2.474 366 S HA 0.259 4.729 4.470 -0.001 0.000 0.276 366 S C -1.406 173.149 174.600 -0.075 0.000 1.227 366 S CA -1.179 56.934 58.200 -0.146 0.000 1.050 366 S CB 0.977 64.001 63.200 -0.293 0.000 0.939 366 S HN 0.350 nan 8.310 nan 0.000 0.490 367 P HA -0.133 nan 4.420 nan 0.000 0.216 367 P C 1.495 178.768 177.300 -0.046 0.000 1.150 367 P CA 1.061 64.145 63.100 -0.027 0.000 0.843 367 P CB 0.130 31.823 31.700 -0.011 0.000 0.787 368 Q N -1.232 118.521 119.800 -0.079 0.000 2.167 368 Q HA -0.083 4.256 4.340 -0.001 0.000 0.202 368 Q C 1.922 177.886 176.000 -0.059 0.000 0.970 368 Q CA 2.111 57.878 55.803 -0.060 0.000 0.855 368 Q CB -0.845 27.858 28.738 -0.060 0.000 0.911 368 Q HN 0.406 nan 8.270 nan 0.000 0.438 369 T N -5.062 109.448 114.554 -0.074 0.000 2.990 369 T HA 0.288 4.638 4.350 -0.001 0.000 0.249 369 T C 1.364 176.038 174.700 -0.042 0.000 1.039 369 T CA 0.769 62.833 62.100 -0.061 0.000 1.036 369 T CB 0.562 69.386 68.868 -0.073 0.000 0.994 369 T HN 0.329 nan 8.240 nan 0.000 0.489 370 G N 1.419 110.198 108.800 -0.035 0.000 2.155 370 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.257 370 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.257 370 G C -0.256 174.637 174.900 -0.012 0.000 0.983 370 G CA 0.339 45.428 45.100 -0.018 0.000 0.676 370 G HN 0.640 nan 8.290 nan 0.000 0.528 371 E N -0.084 120.105 120.200 -0.018 0.000 2.312 371 E HA 0.475 4.825 4.350 -0.001 0.000 0.267 371 E C -2.695 173.907 176.600 0.002 0.000 0.894 371 E CA -2.191 54.203 56.400 -0.009 0.000 0.773 371 E CB 1.693 31.381 29.700 -0.020 0.000 1.241 371 E HN 0.015 nan 8.360 nan 0.000 0.432 372 P HA 0.053 nan 4.420 nan 0.000 0.265 372 P C -0.422 176.897 177.300 0.032 0.000 1.187 372 P CA 0.318 63.444 63.100 0.044 0.000 0.766 372 P CB 0.478 32.203 31.700 0.041 0.000 0.820 373 R N 2.260 122.801 120.500 0.067 0.000 2.483 373 R HA 0.589 4.929 4.340 -0.001 0.000 0.303 373 R C -0.303 176.054 176.300 0.095 0.000 0.987 373 R CA -0.120 55.999 56.100 0.031 0.000 0.881 373 R CB 0.763 31.014 30.300 -0.082 0.000 1.177 373 R HN 0.780 nan 8.270 nan 0.000 0.451 374 G N 1.359 110.188 108.800 0.049 0.000 2.655 374 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.680 374 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.680 374 G C -1.098 173.881 174.900 0.131 0.000 1.302 374 G CA -0.492 44.654 45.100 0.077 0.000 0.872 374 G HN 1.202 nan 8.290 nan 0.000 0.540 375 V N -3.047 116.989 119.914 0.203 0.000 3.130 375 V HA 0.887 5.006 4.120 -0.001 0.000 0.310 375 V C 0.518 176.760 176.094 0.246 0.000 1.158 375 V CA -0.553 61.863 62.300 0.193 0.000 1.029 375 V CB 1.848 33.772 31.823 0.169 0.000 1.057 375 V HN 1.336 nan 8.190 nan 0.000 0.436 376 K N 1.343 121.847 120.400 0.172 0.000 2.491 376 K HA 0.146 4.466 4.320 -0.001 0.000 0.279 376 K C 0.848 177.550 176.600 0.170 0.000 1.026 376 K CA 0.908 57.286 56.287 0.152 0.000 1.070 376 K CB 0.698 33.260 32.500 0.103 0.000 0.887 376 K HN 1.149 nan 8.250 nan 0.000 0.481 377 S N 0.745 116.535 115.700 0.149 0.000 2.666 377 S HA -0.040 4.430 4.470 -0.001 0.000 0.239 377 S C 1.244 175.909 174.600 0.108 0.000 1.031 377 S CA 0.185 58.447 58.200 0.104 0.000 1.015 377 S CB 0.257 63.400 63.200 -0.096 0.000 0.981 377 S HN 0.769 nan 8.310 nan 0.000 0.547 378 T N -1.149 113.458 114.554 0.088 0.000 3.007 378 T HA 0.114 4.464 4.350 -0.001 0.000 0.270 378 T C 1.755 176.523 174.700 0.113 0.000 1.107 378 T CA 1.115 63.267 62.100 0.087 0.000 1.118 378 T CB -0.694 68.209 68.868 0.058 0.000 0.889 378 T HN 0.444 nan 8.240 nan 0.000 0.506 379 G N 0.510 109.375 108.800 0.107 0.000 2.813 379 G HA2 0.084 4.044 3.960 -0.001 0.000 0.209 379 G HA3 0.084 4.044 3.960 -0.001 0.000 0.209 379 G C 0.652 175.620 174.900 0.113 0.000 1.150 379 G CA -0.295 44.865 45.100 0.101 0.000 0.785 379 G HN 0.382 nan 8.290 nan 0.000 0.535 380 Q N 0.983 120.867 119.800 0.141 0.000 2.299 380 Q HA 0.246 4.585 4.340 -0.001 0.000 0.246 380 Q C -2.308 173.807 176.000 0.192 0.000 0.935 380 Q CA -2.104 53.767 55.803 0.113 0.000 0.887 380 Q CB 1.608 30.358 28.738 0.018 0.000 1.223 380 Q HN 0.160 nan 8.270 nan 0.000 0.439 381 P HA 0.071 nan 4.420 nan 0.000 0.272 381 P C -2.044 175.414 177.300 0.262 0.000 1.223 381 P CA -1.232 61.972 63.100 0.172 0.000 0.784 381 P CB 0.401 32.163 31.700 0.103 0.000 0.923 382 P HA -0.117 nan 4.420 nan 0.000 0.219 382 P C 1.414 178.929 177.300 0.359 0.000 1.146 382 P CA 1.301 64.670 63.100 0.449 0.000 0.808 382 P CB -0.393 31.483 31.700 0.293 0.000 0.779 383 V N -3.093 116.932 119.914 0.184 0.000 3.444 383 V HA 0.184 4.304 4.120 -0.001 0.000 0.271 383 V C 2.085 178.350 176.094 0.284 0.000 1.188 383 V CA 1.254 63.667 62.300 0.188 0.000 1.168 383 V CB -1.798 30.114 31.823 0.149 0.000 0.810 383 V HN 0.003 nan 8.190 nan 0.000 0.500 384 A N -0.512 122.323 122.820 0.025 0.000 2.238 384 A HA 0.462 4.782 4.320 -0.001 0.000 0.208 384 A C 0.374 177.591 177.584 -0.613 0.000 1.177 384 A CA 0.165 52.038 52.037 -0.274 0.000 0.804 384 A CB -0.617 18.105 19.000 -0.465 0.000 0.823 384 A HN 0.583 nan 8.150 nan 0.000 0.482 385 F N -1.120 118.796 119.950 -0.057 0.000 2.507 385 F HA 0.501 5.027 4.527 -0.001 0.000 0.325 385 F C -0.220 175.558 175.800 -0.036 0.000 1.116 385 F CA -1.025 56.874 58.000 -0.167 0.000 0.930 385 F CB 2.043 40.660 39.000 -0.638 0.000 1.146 385 F HN -0.246 nan 8.300 nan 0.000 0.447 386 V N 3.223 123.266 119.914 0.215 0.000 2.350 386 V HA 0.352 4.471 4.120 -0.001 0.000 0.276 386 V C -0.664 175.409 176.094 -0.036 0.000 1.028 386 V CA -0.559 61.826 62.300 0.141 0.000 0.860 386 V CB 1.089 33.039 31.823 0.212 0.000 0.990 386 V HN 0.607 nan 8.190 nan 0.000 0.453 387 D N 4.386 124.691 120.400 -0.157 0.000 2.272 387 D HA 0.817 5.457 4.640 -0.001 0.000 0.247 387 D C -0.626 175.505 176.300 -0.282 0.000 0.990 387 D CA 0.117 53.853 54.000 -0.440 0.000 0.931 387 D CB 2.067 42.443 40.800 -0.707 0.000 1.195 387 D HN 0.398 nan 8.370 nan 0.000 0.477 388 F N -1.644 118.332 119.950 0.043 0.000 2.703 388 F HA 0.325 4.851 4.527 -0.001 0.000 0.308 388 F C 0.321 176.318 175.800 0.329 0.000 1.126 388 F CA -1.050 56.990 58.000 0.066 0.000 0.959 388 F CB 0.488 39.390 39.000 -0.164 0.000 1.297 388 F HN 0.268 nan 8.300 nan 0.000 0.441 389 I N -1.807 119.041 120.570 0.463 0.000 3.783 389 I HA 0.357 4.527 4.170 -0.001 0.000 0.310 389 I C -0.306 176.076 176.117 0.442 0.000 1.274 389 I CA 0.411 61.984 61.300 0.455 0.000 1.294 389 I CB 0.319 38.495 38.000 0.293 0.000 1.051 389 I HN 0.489 nan 8.210 nan 0.000 0.435 390 Q N 2.471 122.426 119.800 0.258 0.000 2.377 390 Q HA 0.445 4.784 4.340 -0.001 0.000 0.279 390 Q C -1.561 174.296 176.000 -0.239 0.000 1.049 390 Q CA -0.487 55.319 55.803 0.005 0.000 0.825 390 Q CB 2.599 31.353 28.738 0.027 0.000 1.401 390 Q HN 0.567 nan 8.270 nan 0.000 0.404 391 N N -1.378 116.966 118.700 -0.593 0.000 3.106 391 N HA 0.107 4.847 4.740 -0.001 0.000 0.253 391 N C 0.606 175.350 175.510 -1.276 0.000 1.506 391 N CA -0.444 52.101 53.050 -0.841 0.000 0.876 391 N CB -0.021 37.910 38.487 -0.926 0.000 1.452 391 N HN 0.606 nan 8.380 nan 0.000 0.542 392 H N -1.417 116.975 119.070 -1.129 0.000 2.422 392 H HA -0.103 4.453 4.556 -0.001 0.000 0.298 392 H C 0.354 175.257 175.328 -0.708 0.000 1.098 392 H CA 2.051 57.399 56.048 -1.166 0.000 1.315 392 H CB -0.054 29.256 29.762 -0.752 0.000 1.382 392 H HN 0.695 nan 8.280 nan 0.000 0.523 393 D N 0.407 120.105 120.400 -1.170 0.000 2.120 393 D HA -0.121 4.519 4.640 -0.001 0.000 0.202 393 D C 2.148 178.250 176.300 -0.329 0.000 0.972 393 D CA 0.773 54.393 54.000 -0.632 0.000 0.837 393 D CB 0.091 40.468 40.800 -0.706 0.000 0.989 393 D HN 0.218 nan 8.370 nan 0.000 0.469 394 Q N -0.057 119.487 119.800 -0.426 0.000 2.297 394 Q HA -0.001 4.338 4.340 -0.001 0.000 0.204 394 Q C 2.197 178.122 176.000 -0.125 0.000 0.962 394 Q CA 0.457 56.100 55.803 -0.268 0.000 0.879 394 Q CB 0.202 28.579 28.738 -0.602 0.000 0.947 394 Q HN 0.317 nan 8.270 nan 0.000 0.462 395 V N -0.561 119.218 119.914 -0.225 0.000 2.403 395 V HA 0.030 4.149 4.120 -0.001 0.000 0.239 395 V C 2.172 178.316 176.094 0.083 0.000 1.041 395 V CA 1.686 63.937 62.300 -0.081 0.000 1.051 395 V CB -0.868 30.834 31.823 -0.202 0.000 0.704 395 V HN 0.333 nan 8.190 nan 0.000 0.472 396 G N 1.572 110.449 108.800 0.127 0.000 2.534 396 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.217 396 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.217 396 G C 1.194 176.399 174.900 0.510 0.000 1.128 396 G CA 0.807 46.185 45.100 0.464 0.000 0.784 396 G HN 0.675 nan 8.290 nan 0.000 0.542 397 N N 0.423 119.323 118.700 0.334 0.000 2.571 397 N HA -0.026 4.714 4.740 -0.001 0.000 0.189 397 N C 0.813 176.551 175.510 0.379 0.000 1.154 397 N CA -0.022 53.200 53.050 0.287 0.000 0.907 397 N CB -0.188 38.397 38.487 0.165 0.000 0.977 397 N HN 0.230 nan 8.380 nan 0.000 0.449 398 R N -0.367 120.308 120.500 0.291 0.000 2.490 398 R HA 0.472 4.811 4.340 -0.001 0.000 0.278 398 R C 1.140 177.418 176.300 -0.036 0.000 1.069 398 R CA 0.104 56.326 56.100 0.204 0.000 1.080 398 R CB 0.726 31.101 30.300 0.125 0.000 1.030 398 R HN 0.116 nan 8.270 nan 0.000 0.491 399 A N 2.108 124.583 122.820 -0.574 0.000 1.917 399 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 399 A C 1.277 178.669 177.584 -0.320 0.000 1.182 399 A CA 1.408 52.884 52.037 -0.934 0.000 0.633 399 A CB -0.062 18.203 19.000 -1.225 0.000 0.819 399 A HN 0.608 nan 8.150 nan 0.000 0.448 400 Q N -1.490 118.202 119.800 -0.179 0.000 2.188 400 Q HA 0.262 4.601 4.340 -0.001 0.000 0.212 400 Q C 0.834 176.845 176.000 0.018 0.000 0.846 400 Q CA 0.502 56.267 55.803 -0.063 0.000 0.989 400 Q CB 0.095 28.797 28.738 -0.060 0.000 1.114 400 Q HN 0.928 nan 8.270 nan 0.000 0.488 401 G N 2.289 111.124 108.800 0.059 0.000 2.305 401 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.287 401 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.287 401 G C -0.772 174.199 174.900 0.119 0.000 1.036 401 G CA 0.389 45.570 45.100 0.135 0.000 0.887 401 G HN 0.386 nan 8.290 nan 0.000 0.505 402 D N -0.217 120.235 120.400 0.086 0.000 2.383 402 D HA 0.436 5.075 4.640 -0.001 0.000 0.252 402 D C 1.116 177.468 176.300 0.086 0.000 1.166 402 D CA -0.059 53.986 54.000 0.075 0.000 0.879 402 D CB 0.702 41.538 40.800 0.060 0.000 1.164 402 D HN 0.413 nan 8.370 nan 0.000 0.462 403 R N 1.469 122.011 120.500 0.070 0.000 2.582 403 R HA 0.114 4.454 4.340 -0.001 0.000 0.271 403 R C 1.050 177.383 176.300 0.054 0.000 1.078 403 R CA -0.830 55.303 56.100 0.056 0.000 1.127 403 R CB 0.637 30.951 30.300 0.025 0.000 1.038 403 R HN 0.447 nan 8.270 nan 0.000 0.500 404 L N 3.258 124.522 121.223 0.069 0.000 2.079 404 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 404 L C 1.906 178.794 176.870 0.030 0.000 1.081 404 L CA 1.633 56.520 54.840 0.078 0.000 0.752 404 L CB -0.484 41.644 42.059 0.115 0.000 0.896 404 L HN 0.765 nan 8.230 nan 0.000 0.433 405 I N -0.764 119.804 120.570 -0.003 0.000 2.335 405 I HA -0.332 3.837 4.170 -0.001 0.000 0.251 405 I C 2.174 178.296 176.117 0.008 0.000 1.129 405 I CA 1.811 63.107 61.300 -0.006 0.000 1.402 405 I CB -0.177 37.770 38.000 -0.089 0.000 1.069 405 I HN 0.615 nan 8.210 nan 0.000 0.424 406 T N -1.657 112.899 114.554 0.004 0.000 3.055 406 T HA -0.007 4.343 4.350 -0.001 0.000 0.265 406 T C 1.632 176.333 174.700 0.001 0.000 1.111 406 T CA 0.669 62.773 62.100 0.007 0.000 1.118 406 T CB -0.226 68.649 68.868 0.011 0.000 0.909 406 T HN 0.398 nan 8.240 nan 0.000 0.501 407 L N -0.260 120.961 121.223 -0.003 0.000 2.357 407 L HA 0.499 4.839 4.340 -0.001 0.000 0.211 407 L C 2.920 179.755 176.870 -0.059 0.000 1.075 407 L CA 0.697 55.518 54.840 -0.031 0.000 0.830 407 L CB -0.227 41.811 42.059 -0.034 0.000 0.996 407 L HN 0.329 nan 8.230 nan 0.000 0.467 408 A N -0.255 122.540 122.820 -0.042 0.000 2.197 408 A HA 0.515 4.834 4.320 -0.001 0.000 0.210 408 A C 1.124 178.697 177.584 -0.020 0.000 1.180 408 A CA 0.554 52.563 52.037 -0.047 0.000 0.846 408 A CB 0.068 19.047 19.000 -0.034 0.000 0.884 408 A HN 0.369 nan 8.150 nan 0.000 0.487 409 G N -2.065 106.738 108.800 0.006 0.000 2.730 409 G HA2 0.242 4.202 3.960 -0.001 0.000 0.686 409 G HA3 0.242 4.202 3.960 -0.001 0.000 0.686 409 G C 0.804 175.753 174.900 0.083 0.000 1.343 409 G CA -0.148 44.968 45.100 0.026 0.000 0.826 409 G HN 1.328 nan 8.290 nan 0.000 0.582 410 A N 0.143 123.038 122.820 0.125 0.000 1.877 410 A HA 0.052 4.372 4.320 -0.001 0.000 0.216 410 A C 2.161 179.838 177.584 0.156 0.000 1.186 410 A CA 2.547 54.729 52.037 0.241 0.000 0.620 410 A CB -0.478 18.672 19.000 0.250 0.000 0.822 410 A HN 0.953 nan 8.150 nan 0.000 0.443 411 E N -0.586 119.662 120.200 0.081 0.000 2.051 411 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 411 E C 2.173 178.860 176.600 0.145 0.000 0.991 411 E CA 1.407 57.876 56.400 0.116 0.000 0.799 411 E CB -0.276 29.457 29.700 0.055 0.000 0.748 411 E HN 0.628 nan 8.360 nan 0.000 0.449 412 R N 0.062 120.614 120.500 0.087 0.000 2.081 412 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 412 R C 1.936 178.321 176.300 0.143 0.000 1.131 412 R CA 1.804 57.971 56.100 0.112 0.000 0.960 412 R CB -0.302 30.024 30.300 0.043 0.000 0.856 412 R HN 0.151 nan 8.270 nan 0.000 0.436 413 T N 0.835 115.484 114.554 0.157 0.000 2.788 413 T HA -0.097 4.253 4.350 -0.001 0.000 0.268 413 T C 1.505 176.368 174.700 0.271 0.000 1.044 413 T CA 1.477 63.707 62.100 0.217 0.000 1.139 413 T CB -0.034 68.978 68.868 0.239 0.000 0.867 413 T HN 0.348 nan 8.240 nan 0.000 0.454 414 K N 0.929 121.416 120.400 0.144 0.000 2.057 414 K HA -0.088 4.232 4.320 -0.001 0.000 0.207 414 K C 2.493 179.102 176.600 0.015 0.000 1.049 414 K CA 1.547 57.726 56.287 -0.180 0.000 0.931 414 K CB -0.500 31.381 32.500 -1.031 0.000 0.714 414 K HN 0.391 nan 8.250 nan 0.000 0.440 415 V N -0.740 119.234 119.914 0.099 0.000 2.548 415 V HA -0.134 3.986 4.120 -0.001 0.000 0.249 415 V C 1.940 178.183 176.094 0.247 0.000 1.055 415 V CA 1.271 63.718 62.300 0.245 0.000 1.065 415 V CB -0.736 31.300 31.823 0.356 0.000 0.681 415 V HN 0.170 nan 8.190 nan 0.000 0.462 416 L N -0.613 120.746 121.223 0.227 0.000 2.056 416 L HA -0.060 4.279 4.340 -0.001 0.000 0.207 416 L C 2.584 179.587 176.870 0.221 0.000 1.078 416 L CA 1.550 56.523 54.840 0.222 0.000 0.749 416 L CB -0.636 41.536 42.059 0.189 0.000 0.901 416 L HN 0.377 nan 8.230 nan 0.000 0.433 417 L N 0.388 121.749 121.223 0.229 0.000 2.046 417 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 417 L C 2.631 179.566 176.870 0.108 0.000 1.077 417 L CA 2.015 56.980 54.840 0.208 0.000 0.747 417 L CB -0.710 41.543 42.059 0.324 0.000 0.896 417 L HN 0.146 nan 8.230 nan 0.000 0.432 418 A N -1.788 121.090 122.820 0.097 0.000 1.933 418 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 418 A C 2.249 179.833 177.584 -0.001 0.000 1.175 418 A CA 2.134 54.126 52.037 -0.076 0.000 0.628 418 A CB -1.148 17.860 19.000 0.013 0.000 0.814 418 A HN 0.500 nan 8.150 nan 0.000 0.444 419 T N 0.233 114.863 114.554 0.127 0.000 2.652 419 T HA -0.179 4.170 4.350 -0.001 0.000 0.267 419 T C 1.858 176.615 174.700 0.096 0.000 1.039 419 T CA 1.667 63.861 62.100 0.157 0.000 1.153 419 T CB -0.451 68.559 68.868 0.235 0.000 0.863 419 T HN 0.361 nan 8.240 nan 0.000 0.428 420 L N 0.877 122.174 121.223 0.123 0.000 2.012 420 L HA -0.004 4.335 4.340 -0.001 0.000 0.210 420 L C 2.104 178.917 176.870 -0.095 0.000 1.073 420 L CA 1.721 56.570 54.840 0.014 0.000 0.748 420 L CB -0.597 41.521 42.059 0.099 0.000 0.891 420 L HN 0.267 nan 8.230 nan 0.000 0.431 421 L N -1.330 119.840 121.223 -0.088 0.000 2.313 421 L HA -0.082 4.258 4.340 -0.001 0.000 0.214 421 L C 1.870 178.633 176.870 -0.179 0.000 1.119 421 L CA 0.514 55.267 54.840 -0.145 0.000 0.809 421 L CB -0.215 41.742 42.059 -0.169 0.000 0.933 421 L HN 0.299 nan 8.230 nan 0.000 0.449 422 L N -1.699 119.426 121.223 -0.164 0.000 2.640 422 L HA 0.173 4.513 4.340 -0.001 0.000 0.230 422 L C 0.712 177.465 176.870 -0.194 0.000 1.123 422 L CA -0.171 54.575 54.840 -0.157 0.000 0.900 422 L CB 0.368 42.358 42.059 -0.115 0.000 1.146 422 L HN 0.019 nan 8.230 nan 0.000 0.484 423 S N 0.597 116.150 115.700 -0.244 0.000 2.646 423 S HA 0.256 4.725 4.470 -0.001 0.000 0.276 423 S C -1.475 172.810 174.600 -0.525 0.000 1.222 423 S CA -0.966 56.965 58.200 -0.448 0.000 1.014 423 S CB 1.283 64.283 63.200 -0.333 0.000 0.991 423 S HN -0.024 nan 8.310 nan 0.000 0.533 424 P HA -0.046 nan 4.420 nan 0.000 0.226 424 P C -0.160 176.978 177.300 -0.271 0.000 1.153 424 P CA 0.825 63.605 63.100 -0.534 0.000 0.777 424 P CB -0.122 31.217 31.700 -0.601 0.000 0.794 425 H N -0.260 118.648 119.070 -0.271 0.000 2.757 425 H HA 0.116 4.672 4.556 -0.001 0.000 0.370 425 H C 0.697 175.904 175.328 -0.202 0.000 1.172 425 H CA -1.144 54.810 56.048 -0.157 0.000 1.426 425 H CB 0.544 30.209 29.762 -0.161 0.000 1.438 425 H HN -0.114 nan 8.280 nan 0.000 0.612 426 I N 4.563 125.124 120.570 -0.014 0.000 2.517 426 I HA 0.028 4.197 4.170 -0.001 0.000 0.285 426 I C -2.044 174.000 176.117 -0.121 0.000 1.106 426 I CA -2.409 58.788 61.300 -0.171 0.000 1.402 426 I CB 0.162 37.997 38.000 -0.274 0.000 1.399 426 I HN 0.371 nan 8.210 nan 0.000 0.535 427 P HA 0.364 nan 4.420 nan 0.000 0.288 427 P C -0.956 176.317 177.300 -0.046 0.000 1.267 427 P CA -0.656 62.383 63.100 -0.102 0.000 0.815 427 P CB 2.129 33.762 31.700 -0.111 0.000 0.989 428 L N 3.766 124.993 121.223 0.007 0.000 2.362 428 L HA 0.510 4.850 4.340 -0.001 0.000 0.275 428 L C -1.162 175.724 176.870 0.028 0.000 0.998 428 L CA -0.927 53.921 54.840 0.012 0.000 0.820 428 L CB 1.090 43.111 42.059 -0.064 0.000 1.270 428 L HN 0.223 nan 8.230 nan 0.000 0.415 429 L N 4.307 125.538 121.223 0.012 0.000 2.325 429 L HA 0.445 4.785 4.340 -0.001 0.000 0.278 429 L C -0.798 176.000 176.870 -0.120 0.000 1.023 429 L CA -0.572 54.262 54.840 -0.011 0.000 0.811 429 L CB 1.773 43.854 42.059 0.036 0.000 1.249 429 L HN 0.510 nan 8.230 nan 0.000 0.431 430 F N 4.180 123.953 119.950 -0.296 0.000 2.404 430 F HA 0.384 4.910 4.527 -0.001 0.000 0.345 430 F C 0.585 176.073 175.800 -0.519 0.000 1.110 430 F CA -1.337 56.414 58.000 -0.415 0.000 1.130 430 F CB 1.127 39.918 39.000 -0.349 0.000 1.129 430 F HN 0.443 nan 8.300 nan 0.000 0.500 431 M N 4.769 123.555 119.600 -1.357 0.000 2.243 431 M HA 0.293 4.773 4.480 -0.001 0.000 0.365 431 M C 0.906 176.790 176.300 -0.693 0.000 1.327 431 M CA 1.253 55.911 55.300 -1.069 0.000 0.918 431 M CB -0.605 31.547 32.600 -0.746 0.000 1.894 431 M HN 0.996 nan 8.290 nan 0.000 0.473 432 G N 1.641 110.200 108.800 -0.402 0.000 2.279 432 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.223 432 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.223 432 G C 0.694 175.098 174.900 -0.826 0.000 1.015 432 G CA 0.284 44.944 45.100 -0.733 0.000 0.621 432 G HN 0.812 nan 8.290 nan 0.000 0.506 433 E N 0.900 120.822 120.200 -0.463 0.000 2.160 433 E HA -0.158 4.192 4.350 -0.001 0.000 0.195 433 E C 2.374 178.757 176.600 -0.362 0.000 0.991 433 E CA 1.308 57.475 56.400 -0.388 0.000 0.810 433 E CB -0.139 29.456 29.700 -0.175 0.000 0.742 433 E HN 0.799 nan 8.360 nan 0.000 0.466 434 E N 0.990 121.080 120.200 -0.182 0.000 2.204 434 E HA -0.219 4.130 4.350 -0.001 0.000 0.195 434 E C 1.312 177.986 176.600 0.123 0.000 0.990 434 E CA 1.238 57.665 56.400 0.045 0.000 0.821 434 E CB -0.358 29.441 29.700 0.164 0.000 0.750 434 E HN 0.620 nan 8.360 nan 0.000 0.477 435 Y N -2.009 118.296 120.300 0.008 0.000 2.612 435 Y HA 0.645 5.194 4.550 -0.001 0.000 0.250 435 Y C 1.094 176.831 175.900 -0.271 0.000 1.175 435 Y CA -0.672 57.446 58.100 0.030 0.000 1.205 435 Y CB 0.345 38.823 38.460 0.031 0.000 1.201 435 Y HN 0.018 nan 8.280 nan 0.000 0.532 436 G N 0.804 109.047 108.800 -0.927 0.000 2.198 436 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.257 436 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.257 436 G C -0.205 174.301 174.900 -0.657 0.000 1.042 436 G CA 0.200 44.491 45.100 -1.348 0.000 0.791 436 G HN 0.562 nan 8.290 nan 0.000 0.502 437 E N 0.593 120.372 120.200 -0.701 0.000 2.502 437 E HA 0.387 4.737 4.350 -0.001 0.000 0.261 437 E C 1.470 177.928 176.600 -0.236 0.000 0.974 437 E CA 0.878 57.049 56.400 -0.382 0.000 0.936 437 E CB 0.436 29.837 29.700 -0.500 0.000 0.926 437 E HN 0.680 nan 8.360 nan 0.000 0.459 438 S N 3.733 119.370 115.700 -0.104 0.000 2.578 438 S HA 0.241 4.710 4.470 -0.001 0.000 0.228 438 S C 0.500 175.094 174.600 -0.010 0.000 1.022 438 S CA -0.490 57.676 58.200 -0.057 0.000 0.967 438 S CB 0.208 63.390 63.200 -0.030 0.000 0.914 438 S HN 0.410 nan 8.310 nan 0.000 0.515 439 R N 3.052 123.552 120.500 -0.000 0.000 2.698 439 R HA 0.238 4.577 4.340 -0.001 0.000 0.266 439 R C -2.389 173.954 176.300 0.071 0.000 1.026 439 R CA -1.177 54.940 56.100 0.029 0.000 1.102 439 R CB -0.091 30.224 30.300 0.024 0.000 0.978 439 R HN 0.332 nan 8.270 nan 0.000 0.436 440 P HA -0.045 nan 4.420 nan 0.000 0.272 440 P C -0.980 176.469 177.300 0.247 0.000 1.240 440 P CA 0.073 63.256 63.100 0.138 0.000 0.791 440 P CB 0.473 32.233 31.700 0.100 0.000 0.978 441 F N 1.744 121.782 119.950 0.147 0.000 2.366 441 F HA 0.392 4.918 4.527 -0.001 0.000 0.366 441 F C -0.562 175.409 175.800 0.284 0.000 1.096 441 F CA -0.791 57.340 58.000 0.219 0.000 1.060 441 F CB 0.158 39.299 39.000 0.235 0.000 1.282 441 F HN 0.054 nan 8.300 nan 0.000 0.450 442 L N 4.863 126.105 121.223 0.033 0.000 2.399 442 L HA 0.320 4.660 4.340 -0.001 0.000 0.265 442 L C -0.380 176.636 176.870 0.242 0.000 1.089 442 L CA -1.052 53.892 54.840 0.174 0.000 0.802 442 L CB 0.815 42.968 42.059 0.157 0.000 1.180 442 L HN 0.473 nan 8.230 nan 0.000 0.454 443 F N 3.310 123.297 119.950 0.062 0.000 2.471 443 F HA 0.339 4.866 4.527 -0.001 0.000 0.365 443 F C -0.430 175.177 175.800 -0.320 0.000 1.095 443 F CA -0.819 56.924 58.000 -0.429 0.000 1.174 443 F CB -0.109 38.577 39.000 -0.524 0.000 1.105 443 F HN 0.162 nan 8.300 nan 0.000 0.535 444 F N 3.174 122.551 119.950 -0.955 0.000 2.563 444 F HA 0.869 5.396 4.527 -0.001 0.000 0.316 444 F C -0.633 174.589 175.800 -0.964 0.000 1.076 444 F CA -0.706 56.857 58.000 -0.727 0.000 0.921 444 F CB 1.254 40.110 39.000 -0.240 0.000 1.209 444 F HN 0.457 nan 8.300 nan 0.000 0.462 445 T N -1.893 112.336 114.554 -0.543 0.000 2.696 445 T HA 0.577 4.927 4.350 -0.001 0.000 0.291 445 T C -1.743 172.636 174.700 -0.535 0.000 1.095 445 T CA -0.590 61.112 62.100 -0.664 0.000 1.026 445 T CB 1.893 70.307 68.868 -0.758 0.000 1.390 445 T HN 0.775 nan 8.240 nan 0.000 0.513 446 D N -0.131 119.805 120.400 -0.773 0.000 2.978 446 D HA 0.412 5.051 4.640 -0.001 0.000 0.268 446 D C -1.526 174.454 176.300 -0.533 0.000 1.252 446 D CA -0.398 53.295 54.000 -0.512 0.000 0.771 446 D CB -0.247 40.371 40.800 -0.304 0.000 1.361 446 D HN 0.336 nan 8.370 nan 0.000 0.558 447 F N 0.471 120.256 119.950 -0.274 0.000 2.518 447 F HA 0.647 5.174 4.527 -0.001 0.000 0.338 447 F C 0.741 176.214 175.800 -0.545 0.000 1.065 447 F CA -0.541 57.319 58.000 -0.233 0.000 1.012 447 F CB 1.060 40.014 39.000 -0.076 0.000 1.297 447 F HN 0.077 nan 8.300 nan 0.000 0.489 448 H N -1.633 117.579 119.070 0.236 0.000 2.949 448 H HA 0.607 5.163 4.556 -0.001 0.000 0.356 448 H C 0.430 175.810 175.328 0.087 0.000 1.212 448 H CA -0.468 55.653 56.048 0.121 0.000 1.136 448 H CB 1.204 31.021 29.762 0.091 0.000 1.869 448 H HN 0.781 nan 8.280 nan 0.000 0.556 449 G N 0.576 109.488 108.800 0.187 0.000 2.582 449 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.288 449 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.288 449 G C 0.675 175.614 174.900 0.065 0.000 1.247 449 G CA 0.745 45.907 45.100 0.104 0.000 0.972 449 G HN 0.682 nan 8.290 nan 0.000 0.557 450 D N -0.290 120.133 120.400 0.038 0.000 2.144 450 D HA -0.059 4.580 4.640 -0.001 0.000 0.199 450 D C 2.566 178.867 176.300 0.001 0.000 0.984 450 D CA 1.468 55.477 54.000 0.016 0.000 0.834 450 D CB -0.179 40.621 40.800 0.001 0.000 0.955 450 D HN 0.295 nan 8.370 nan 0.000 0.465 451 L N 1.140 122.353 121.223 -0.016 0.000 2.017 451 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 451 L C 2.185 179.049 176.870 -0.009 0.000 1.073 451 L CA 1.826 56.617 54.840 -0.082 0.000 0.745 451 L CB -0.871 41.066 42.059 -0.203 0.000 0.894 451 L HN -0.035 nan 8.230 nan 0.000 0.432 452 A N -0.321 122.544 122.820 0.076 0.000 1.883 452 A HA -0.286 4.034 4.320 -0.001 0.000 0.217 452 A C 2.582 180.213 177.584 0.079 0.000 1.186 452 A CA 2.053 54.159 52.037 0.115 0.000 0.624 452 A CB -0.747 18.294 19.000 0.068 0.000 0.822 452 A HN 0.522 nan 8.150 nan 0.000 0.444 453 R N -0.462 120.069 120.500 0.052 0.000 2.081 453 R HA -0.103 4.237 4.340 -0.001 0.000 0.235 453 R C 2.326 178.650 176.300 0.039 0.000 1.131 453 R CA 1.471 57.596 56.100 0.042 0.000 0.960 453 R CB -0.432 29.888 30.300 0.032 0.000 0.856 453 R HN 0.452 nan 8.270 nan 0.000 0.436 454 A N 0.282 123.116 122.820 0.024 0.000 1.902 454 A HA -0.094 4.225 4.320 -0.001 0.000 0.217 454 A C 2.268 179.874 177.584 0.037 0.000 1.181 454 A CA 1.506 53.552 52.037 0.014 0.000 0.623 454 A CB -0.461 18.529 19.000 -0.016 0.000 0.818 454 A HN 0.231 nan 8.150 nan 0.000 0.443 455 V N -0.174 119.781 119.914 0.067 0.000 2.358 455 V HA -0.215 3.904 4.120 -0.001 0.000 0.246 455 V C 2.621 178.802 176.094 0.145 0.000 1.047 455 V CA 2.157 64.538 62.300 0.135 0.000 1.035 455 V CB -0.762 31.209 31.823 0.247 0.000 0.658 455 V HN 0.636 nan 8.190 nan 0.000 0.452 456 R N 0.135 120.707 120.500 0.118 0.000 2.070 456 R HA -0.191 4.149 4.340 -0.001 0.000 0.232 456 R C 2.325 178.682 176.300 0.094 0.000 1.138 456 R CA 2.105 58.270 56.100 0.107 0.000 0.936 456 R CB -0.229 30.117 30.300 0.076 0.000 0.839 456 R HN 0.584 nan 8.270 nan 0.000 0.429 457 E N -1.107 119.134 120.200 0.068 0.000 2.150 457 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 457 E C 1.821 178.450 176.600 0.048 0.000 0.985 457 E CA 0.875 57.308 56.400 0.056 0.000 0.814 457 E CB -0.091 29.631 29.700 0.038 0.000 0.752 457 E HN 0.588 nan 8.360 nan 0.000 0.466 458 G N 1.354 110.179 108.800 0.041 0.000 2.422 458 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.218 458 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.218 458 G C 1.667 176.574 174.900 0.011 0.000 1.146 458 G CA 0.717 45.827 45.100 0.015 0.000 0.769 458 G HN 0.069 nan 8.290 nan 0.000 0.547 459 R N 0.991 121.526 120.500 0.058 0.000 2.062 459 R HA 0.207 4.547 4.340 -0.001 0.000 0.229 459 R C 2.767 179.180 176.300 0.188 0.000 1.128 459 R CA 1.698 57.853 56.100 0.093 0.000 0.960 459 R CB -0.854 29.548 30.300 0.171 0.000 0.855 459 R HN 0.190 nan 8.270 nan 0.000 0.432 460 A N 0.939 123.861 122.820 0.170 0.000 1.940 460 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 460 A C 1.950 179.633 177.584 0.165 0.000 1.176 460 A CA 1.703 53.860 52.037 0.200 0.000 0.631 460 A CB -0.456 18.619 19.000 0.126 0.000 0.814 460 A HN 0.373 nan 8.150 nan 0.000 0.446 461 K N -0.299 120.143 120.400 0.070 0.000 2.209 461 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 461 K C 1.663 178.225 176.600 -0.062 0.000 1.048 461 K CA 1.327 57.620 56.287 0.010 0.000 0.940 461 K CB -0.148 32.344 32.500 -0.014 0.000 0.729 461 K HN 0.642 nan 8.250 nan 0.000 0.451 462 E N -0.401 119.710 120.200 -0.148 0.000 2.265 462 E HA -0.135 4.214 4.350 -0.001 0.000 0.196 462 E C 0.472 176.706 176.600 -0.609 0.000 0.996 462 E CA 0.854 56.995 56.400 -0.431 0.000 0.832 462 E CB 0.061 29.364 29.700 -0.662 0.000 0.756 462 E HN 0.279 nan 8.360 nan 0.000 0.491 463 F N -1.078 118.918 119.950 0.077 0.000 2.735 463 F HA 0.377 4.904 4.527 -0.001 0.000 0.308 463 F C 1.563 177.418 175.800 0.092 0.000 1.112 463 F CA -0.283 57.816 58.000 0.164 0.000 1.235 463 F CB 0.335 39.451 39.000 0.193 0.000 1.027 463 F HN -0.084 nan 8.300 nan 0.000 0.528 464 A N 0.622 123.514 122.820 0.119 0.000 1.972 464 A HA -0.227 4.093 4.320 -0.001 0.000 0.219 464 A C 1.975 179.574 177.584 0.025 0.000 1.169 464 A CA 2.174 54.253 52.037 0.069 0.000 0.635 464 A CB -0.626 18.386 19.000 0.021 0.000 0.810 464 A HN 0.424 nan 8.150 nan 0.000 0.446 465 D N -1.229 119.133 120.400 -0.063 0.000 2.371 465 D HA -0.096 4.544 4.640 -0.001 0.000 0.221 465 D C 0.780 176.976 176.300 -0.172 0.000 0.986 465 D CA 0.965 54.879 54.000 -0.143 0.000 0.899 465 D CB -0.912 39.756 40.800 -0.221 0.000 0.902 465 D HN 0.674 nan 8.370 nan 0.000 0.530 466 H N -0.071 119.065 119.070 0.110 0.000 2.505 466 H HA 0.540 5.096 4.556 -0.000 0.000 0.289 466 H C 0.454 175.833 175.328 0.084 0.000 1.052 466 H CA -0.136 55.980 56.048 0.112 0.000 1.156 466 H CB 0.286 30.150 29.762 0.171 0.000 1.507 466 H HN 0.185 nan 8.280 nan 0.000 0.548 467 A N 1.072 123.978 122.820 0.142 0.000 2.570 467 A HA 0.121 4.440 4.320 -0.001 0.000 0.274 467 A C 1.614 179.253 177.584 0.092 0.000 0.943 467 A CA 1.425 53.522 52.037 0.099 0.000 0.983 467 A CB -0.735 18.302 19.000 0.061 0.000 0.802 467 A HN 0.807 nan 8.150 nan 0.000 0.456 468 G N 1.399 110.245 108.800 0.078 0.000 2.545 468 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.195 468 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.195 468 G C 0.186 175.114 174.900 0.048 0.000 1.009 468 G CA 0.355 45.490 45.100 0.057 0.000 0.703 468 G HN 1.049 nan 8.290 nan 0.000 0.479 469 E N 1.115 121.355 120.200 0.066 0.000 2.404 469 E HA 0.499 4.849 4.350 -0.001 0.000 0.261 469 E C -0.139 176.474 176.600 0.021 0.000 1.074 469 E CA -0.109 56.308 56.400 0.029 0.000 0.917 469 E CB 0.427 30.155 29.700 0.046 0.000 0.965 469 E HN 0.214 nan 8.360 nan 0.000 0.433 470 N N 3.256 121.949 118.700 -0.012 0.000 2.690 470 N HA 0.165 4.904 4.740 -0.001 0.000 0.255 470 N C -1.763 173.733 175.510 -0.023 0.000 1.195 470 N CA -0.368 52.682 53.050 -0.001 0.000 0.790 470 N CB 0.758 39.247 38.487 0.003 0.000 1.216 470 N HN 0.162 nan 8.380 nan 0.000 0.528 471 V N 3.844 123.747 119.914 -0.019 0.000 2.585 471 V HA 0.213 4.332 4.120 -0.001 0.000 0.296 471 V C -1.677 174.423 176.094 0.010 0.000 1.035 471 V CA -0.873 61.405 62.300 -0.038 0.000 1.084 471 V CB 0.461 32.292 31.823 0.012 0.000 0.953 471 V HN 0.466 nan 8.190 nan 0.000 0.483 472 P HA 0.090 nan 4.420 nan 0.000 0.268 472 P C -0.478 176.849 177.300 0.045 0.000 1.204 472 P CA -0.309 62.807 63.100 0.027 0.000 0.768 472 P CB 0.309 32.027 31.700 0.029 0.000 0.842 473 D N 4.264 124.686 120.400 0.036 0.000 2.434 473 D HA -0.002 4.638 4.640 -0.001 0.000 0.252 473 D C -1.506 174.804 176.300 0.018 0.000 1.185 473 D CA -1.676 52.345 54.000 0.036 0.000 0.886 473 D CB 0.430 41.243 40.800 0.022 0.000 1.148 473 D HN 0.134 nan 8.370 nan 0.000 0.483 474 P HA -0.096 nan 4.420 nan 0.000 0.218 474 P C 0.724 177.944 177.300 -0.134 0.000 1.148 474 P CA 0.852 63.895 63.100 -0.096 0.000 0.822 474 P CB 0.212 31.820 31.700 -0.154 0.000 0.784 475 N N -0.439 118.204 118.700 -0.096 0.000 2.494 475 N HA 0.013 4.753 4.740 -0.001 0.000 0.182 475 N C 0.716 176.165 175.510 -0.101 0.000 1.076 475 N CA 0.266 53.236 53.050 -0.134 0.000 0.908 475 N CB -0.224 38.195 38.487 -0.113 0.000 0.967 475 N HN 0.085 nan 8.380 nan 0.000 0.449 476 A N 2.178 124.968 122.820 -0.049 0.000 2.450 476 A HA 0.253 4.573 4.320 -0.001 0.000 0.255 476 A C -1.232 176.340 177.584 -0.020 0.000 1.096 476 A CA -1.078 50.943 52.037 -0.026 0.000 0.778 476 A CB 0.499 19.498 19.000 -0.002 0.000 1.031 476 A HN -0.054 nan 8.150 nan 0.000 0.494 477 P HA -0.168 nan 4.420 nan 0.000 0.217 477 P C 0.871 178.203 177.300 0.053 0.000 1.148 477 P CA 1.394 64.499 63.100 0.009 0.000 0.828 477 P CB 0.238 31.944 31.700 0.011 0.000 0.783 478 E N -1.019 119.198 120.200 0.027 0.000 2.118 478 E HA -0.139 4.211 4.350 -0.001 0.000 0.195 478 E C 1.958 178.568 176.600 0.018 0.000 0.992 478 E CA 1.687 58.099 56.400 0.020 0.000 0.804 478 E CB -1.367 28.341 29.700 0.013 0.000 0.741 478 E HN 0.249 nan 8.360 nan 0.000 0.458 479 T N 0.449 115.023 114.554 0.032 0.000 2.759 479 T HA -0.166 4.184 4.350 -0.001 0.000 0.269 479 T C 1.512 176.237 174.700 0.042 0.000 1.042 479 T CA 1.234 63.366 62.100 0.054 0.000 1.140 479 T CB -0.389 68.522 68.868 0.071 0.000 0.864 479 T HN 0.189 nan 8.240 nan 0.000 0.455 480 F N 1.795 121.600 119.950 -0.243 0.000 2.128 480 F HA -0.042 4.484 4.527 -0.001 0.000 0.295 480 F C 2.492 178.087 175.800 -0.342 0.000 1.100 480 F CA 1.178 58.821 58.000 -0.595 0.000 1.260 480 F CB -0.459 38.156 39.000 -0.641 0.000 1.009 480 F HN 0.079 nan 8.300 nan 0.000 0.476 481 Q N 0.064 119.757 119.800 -0.179 0.000 2.135 481 Q HA -0.206 4.133 4.340 -0.001 0.000 0.204 481 Q C 2.212 178.108 176.000 -0.173 0.000 0.981 481 Q CA 1.877 57.559 55.803 -0.202 0.000 0.856 481 Q CB -0.292 28.417 28.738 -0.048 0.000 0.902 481 Q HN 0.421 nan 8.270 nan 0.000 0.425 482 R N -0.230 120.209 120.500 -0.102 0.000 2.237 482 R HA -0.014 4.326 4.340 -0.001 0.000 0.219 482 R C 1.779 178.051 176.300 -0.046 0.000 1.080 482 R CA 1.031 57.100 56.100 -0.052 0.000 0.995 482 R CB 0.138 30.431 30.300 -0.011 0.000 0.875 482 R HN 0.055 nan 8.270 nan 0.000 0.462 483 S N 0.113 115.752 115.700 -0.103 0.000 2.548 483 S HA 0.091 4.561 4.470 -0.001 0.000 0.215 483 S C 0.248 174.839 174.600 -0.016 0.000 0.976 483 S CA 0.024 58.214 58.200 -0.016 0.000 0.908 483 S CB 0.307 63.486 63.200 -0.035 0.000 0.781 483 S HN 0.104 nan 8.310 nan 0.000 0.519 484 K N 2.243 122.546 120.400 -0.162 0.000 2.448 484 K HA 0.132 4.451 4.320 -0.001 0.000 0.278 484 K C 0.045 176.611 176.600 -0.056 0.000 1.009 484 K CA 0.070 56.279 56.287 -0.130 0.000 0.995 484 K CB 0.359 32.755 32.500 -0.174 0.000 0.917 484 K HN 0.293 nan 8.250 nan 0.000 0.481 485 L N 2.506 123.695 121.223 -0.058 0.000 2.514 485 L HA -0.064 4.276 4.340 -0.001 0.000 0.280 485 L C 0.964 177.673 176.870 -0.270 0.000 1.223 485 L CA -0.044 54.674 54.840 -0.203 0.000 0.864 485 L CB -0.095 41.702 42.059 -0.438 0.000 1.118 485 L HN 0.518 nan 8.230 nan 0.000 0.494 486 N N 1.956 120.507 118.700 -0.248 0.000 2.645 486 N HA 0.077 4.816 4.740 -0.001 0.000 0.233 486 N C 0.284 175.583 175.510 -0.352 0.000 1.058 486 N CA -0.251 52.691 53.050 -0.180 0.000 0.942 486 N CB 0.332 38.779 38.487 -0.067 0.000 1.210 486 N HN 0.417 nan 8.380 nan 0.000 0.512 487 W N 2.523 123.715 121.300 -0.179 0.000 2.525 487 W HA 0.045 4.705 4.660 -0.001 0.000 0.259 487 W C 1.747 178.206 176.519 -0.099 0.000 1.253 487 W CA 0.126 57.316 57.345 -0.258 0.000 1.262 487 W CB 0.273 29.616 29.460 -0.194 0.000 1.122 487 W HN 0.442 nan 8.180 nan 0.000 0.607 488 K N 0.146 120.606 120.400 0.099 0.000 2.057 488 K HA -0.235 4.085 4.320 -0.001 0.000 0.207 488 K C 1.965 178.577 176.600 0.021 0.000 1.049 488 K CA 1.370 57.706 56.287 0.083 0.000 0.931 488 K CB -0.461 32.060 32.500 0.035 0.000 0.714 488 K HN 0.224 nan 8.250 nan 0.000 0.440 489 Q N 0.902 120.659 119.800 -0.072 0.000 2.079 489 Q HA -0.199 4.141 4.340 -0.001 0.000 0.200 489 Q C 2.411 178.294 176.000 -0.195 0.000 0.974 489 Q CA 1.185 56.948 55.803 -0.066 0.000 0.840 489 Q CB 0.106 28.847 28.738 0.005 0.000 0.898 489 Q HN 0.261 nan 8.270 nan 0.000 0.430 490 Q N 0.131 119.558 119.800 -0.623 0.000 2.112 490 Q HA -0.221 4.118 4.340 -0.001 0.000 0.206 490 Q C 1.122 176.896 176.000 -0.376 0.000 0.987 490 Q CA 1.906 57.189 55.803 -0.867 0.000 0.858 490 Q CB -0.147 27.850 28.738 -1.235 0.000 0.905 490 Q HN 0.618 nan 8.270 nan 0.000 0.420 491 H N -0.135 118.858 119.070 -0.128 0.000 2.548 491 H HA 0.075 4.630 4.556 -0.001 0.000 0.268 491 H C 1.111 176.438 175.328 -0.001 0.000 0.975 491 H CA 0.464 56.490 56.048 -0.036 0.000 1.195 491 H CB 0.230 29.974 29.762 -0.031 0.000 1.397 491 H HN 0.244 nan 8.280 nan 0.000 0.572 492 S N 0.416 116.170 115.700 0.090 0.000 2.596 492 S HA -0.026 4.443 4.470 -0.001 0.000 0.260 492 S C 1.414 176.073 174.600 0.098 0.000 1.336 492 S CA -0.588 57.665 58.200 0.088 0.000 0.993 492 S CB 1.148 64.393 63.200 0.076 0.000 0.923 492 S HN 0.235 nan 8.310 nan 0.000 0.567 493 E N 0.725 120.980 120.200 0.091 0.000 2.072 493 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 493 E C 1.920 178.589 176.600 0.115 0.000 0.985 493 E CA 1.336 57.791 56.400 0.092 0.000 0.801 493 E CB -0.435 29.309 29.700 0.072 0.000 0.750 493 E HN 0.921 nan 8.360 nan 0.000 0.452 494 E N 0.288 120.565 120.200 0.128 0.000 2.106 494 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 494 E C 2.076 178.844 176.600 0.279 0.000 0.984 494 E CA 1.068 57.573 56.400 0.174 0.000 0.806 494 E CB -0.162 29.643 29.700 0.176 0.000 0.750 494 E HN 0.230 nan 8.360 nan 0.000 0.458 495 G N 1.095 110.045 108.800 0.249 0.000 2.402 495 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.216 495 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.216 495 G C 1.604 176.678 174.900 0.290 0.000 1.162 495 G CA 0.379 45.659 45.100 0.301 0.000 0.777 495 G HN 0.059 nan 8.290 nan 0.000 0.539 496 K N 0.991 121.509 120.400 0.196 0.000 2.209 496 K HA 0.088 4.407 4.320 -0.001 0.000 0.204 496 K C 2.770 179.482 176.600 0.187 0.000 1.048 496 K CA 1.018 57.411 56.287 0.177 0.000 0.940 496 K CB -0.531 32.047 32.500 0.129 0.000 0.729 496 K HN 0.283 nan 8.250 nan 0.000 0.451 497 A N -0.049 122.876 122.820 0.174 0.000 1.873 497 A HA -0.146 4.174 4.320 -0.001 0.000 0.215 497 A C 2.119 179.787 177.584 0.140 0.000 1.186 497 A CA 1.112 53.218 52.037 0.115 0.000 0.616 497 A CB -0.868 18.151 19.000 0.031 0.000 0.823 497 A HN 0.391 nan 8.150 nan 0.000 0.442 498 W N 0.068 121.440 121.300 0.120 0.000 2.358 498 W HA -0.106 4.553 4.660 -0.001 0.000 0.303 498 W C 2.117 178.751 176.519 0.192 0.000 1.208 498 W CA 1.244 58.669 57.345 0.134 0.000 1.274 498 W CB -0.294 29.231 29.460 0.108 0.000 1.138 498 W HN 0.235 nan 8.180 nan 0.000 0.515 499 L N -0.392 121.081 121.223 0.416 0.000 2.046 499 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 499 L C 2.621 179.622 176.870 0.218 0.000 1.077 499 L CA 1.338 56.358 54.840 0.301 0.000 0.747 499 L CB -1.177 41.046 42.059 0.274 0.000 0.896 499 L HN -0.003 nan 8.230 nan 0.000 0.432 500 A N -0.445 122.499 122.820 0.208 0.000 1.933 500 A HA -0.255 4.064 4.320 -0.001 0.000 0.218 500 A C 2.151 179.840 177.584 0.175 0.000 1.175 500 A CA 1.380 53.514 52.037 0.162 0.000 0.628 500 A CB -0.762 18.329 19.000 0.151 0.000 0.814 500 A HN 0.388 nan 8.150 nan 0.000 0.444 501 F N 1.411 121.388 119.950 0.046 0.000 2.075 501 F HA -0.158 4.369 4.527 -0.001 0.000 0.297 501 F C 2.526 178.317 175.800 -0.015 0.000 1.113 501 F CA 2.359 60.353 58.000 -0.011 0.000 1.218 501 F CB -0.674 38.251 39.000 -0.125 0.000 0.984 501 F HN 0.213 nan 8.300 nan 0.000 0.472 502 T N 0.578 115.220 114.554 0.146 0.000 2.708 502 T HA -0.222 4.128 4.350 -0.001 0.000 0.266 502 T C 2.099 176.754 174.700 -0.075 0.000 1.037 502 T CA 1.601 63.711 62.100 0.016 0.000 1.146 502 T CB -0.409 68.547 68.868 0.147 0.000 0.865 502 T HN 0.237 nan 8.240 nan 0.000 0.435 503 R N 0.943 121.432 120.500 -0.017 0.000 2.091 503 R HA -0.149 4.191 4.340 -0.001 0.000 0.238 503 R C 2.490 178.744 176.300 -0.076 0.000 1.136 503 R CA 1.852 57.928 56.100 -0.040 0.000 0.959 503 R CB -0.199 30.102 30.300 0.002 0.000 0.856 503 R HN 0.533 nan 8.270 nan 0.000 0.437 504 E N 0.348 120.497 120.200 -0.086 0.000 2.051 504 E HA -0.213 4.137 4.350 -0.001 0.000 0.192 504 E C 2.099 178.574 176.600 -0.208 0.000 0.991 504 E CA 1.322 57.662 56.400 -0.100 0.000 0.799 504 E CB -0.085 29.585 29.700 -0.049 0.000 0.748 504 E HN 0.394 nan 8.360 nan 0.000 0.449 505 L N 0.602 121.600 121.223 -0.374 0.000 2.042 505 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 505 L C 2.613 179.320 176.870 -0.272 0.000 1.076 505 L CA 0.961 55.520 54.840 -0.469 0.000 0.749 505 L CB -0.339 41.358 42.059 -0.603 0.000 0.893 505 L HN 0.266 nan 8.230 nan 0.000 0.432 506 L N -1.081 120.024 121.223 -0.197 0.000 2.093 506 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 506 L C 2.516 179.316 176.870 -0.118 0.000 1.085 506 L CA 0.563 55.318 54.840 -0.142 0.000 0.755 506 L CB -0.369 41.622 42.059 -0.112 0.000 0.904 506 L HN 0.251 nan 8.230 nan 0.000 0.435 507 L N -0.094 121.067 121.223 -0.103 0.000 2.017 507 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 507 L C 2.344 179.168 176.870 -0.077 0.000 1.073 507 L CA 1.709 56.502 54.840 -0.078 0.000 0.745 507 L CB -0.378 41.650 42.059 -0.052 0.000 0.894 507 L HN 0.094 nan 8.230 nan 0.000 0.432 508 L N -0.968 120.220 121.223 -0.058 0.000 2.046 508 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 508 L C 2.766 179.638 176.870 0.004 0.000 1.077 508 L CA 1.468 56.328 54.840 0.034 0.000 0.747 508 L CB -0.566 41.502 42.059 0.015 0.000 0.896 508 L HN 0.306 nan 8.230 nan 0.000 0.432 509 R N 0.118 120.566 120.500 -0.086 0.000 2.080 509 R HA -0.268 4.071 4.340 -0.001 0.000 0.236 509 R C 2.379 178.615 176.300 -0.108 0.000 1.137 509 R CA 2.076 58.114 56.100 -0.104 0.000 0.943 509 R CB -0.191 30.023 30.300 -0.143 0.000 0.846 509 R HN 0.213 nan 8.270 nan 0.000 0.431 510 Q N 0.865 120.595 119.800 -0.117 0.000 2.084 510 Q HA -0.191 4.149 4.340 -0.001 0.000 0.202 510 Q C 1.871 177.784 176.000 -0.146 0.000 0.978 510 Q CA 2.140 57.870 55.803 -0.122 0.000 0.844 510 Q CB -0.072 28.603 28.738 -0.106 0.000 0.898 510 Q HN 0.300 nan 8.270 nan 0.000 0.426 511 K N -1.770 118.510 120.400 -0.199 0.000 2.062 511 K HA -0.122 4.197 4.320 -0.001 0.000 0.205 511 K C 1.518 177.863 176.600 -0.425 0.000 1.051 511 K CA 1.368 57.443 56.287 -0.354 0.000 0.941 511 K CB 0.039 32.230 32.500 -0.515 0.000 0.719 511 K HN 0.399 nan 8.250 nan 0.000 0.440 512 H N -1.183 117.858 119.070 -0.049 0.000 2.695 512 H HA 0.113 4.669 4.556 -0.001 0.000 0.267 512 H C 1.832 177.127 175.328 -0.054 0.000 0.973 512 H CA 0.345 56.372 56.048 -0.036 0.000 1.223 512 H CB 0.693 30.446 29.762 -0.015 0.000 1.442 512 H HN 0.117 nan 8.280 nan 0.000 0.478 513 I N 0.467 121.050 120.570 0.021 0.000 2.512 513 I HA -0.084 4.086 4.170 -0.001 0.000 0.247 513 I C 2.511 178.546 176.117 -0.137 0.000 1.094 513 I CA 0.502 61.763 61.300 -0.066 0.000 1.427 513 I CB -0.963 36.967 38.000 -0.116 0.000 1.149 513 I HN -0.072 nan 8.210 nan 0.000 0.438 514 V N 2.578 122.406 119.914 -0.142 0.000 2.324 514 V HA -0.184 3.936 4.120 -0.001 0.000 0.250 514 V C -0.377 175.627 176.094 -0.151 0.000 1.060 514 V CA 2.232 64.433 62.300 -0.165 0.000 1.042 514 V CB -2.021 29.711 31.823 -0.151 0.000 0.650 514 V HN 0.264 nan 8.190 nan 0.000 0.450 515 P HA -0.074 nan 4.420 nan 0.000 0.225 515 P C 1.600 178.835 177.300 -0.109 0.000 1.148 515 P CA 1.131 64.174 63.100 -0.094 0.000 0.779 515 P CB -0.073 31.589 31.700 -0.063 0.000 0.780 516 L N -1.948 119.183 121.223 -0.152 0.000 2.418 516 L HA 0.000 4.340 4.340 -0.001 0.000 0.218 516 L C 2.115 178.726 176.870 -0.431 0.000 1.125 516 L CA 0.628 55.328 54.840 -0.233 0.000 0.835 516 L CB -0.637 41.276 42.059 -0.244 0.000 0.953 516 L HN -0.029 nan 8.230 nan 0.000 0.454 517 L N -1.422 119.579 121.223 -0.371 0.000 2.209 517 L HA -0.066 4.273 4.340 -0.001 0.000 0.207 517 L C 2.721 179.452 176.870 -0.232 0.000 1.094 517 L CA 0.613 55.218 54.840 -0.391 0.000 0.790 517 L CB -0.417 41.457 42.059 -0.309 0.000 0.932 517 L HN 0.173 nan 8.230 nan 0.000 0.447 518 S N 0.323 115.933 115.700 -0.151 0.000 2.368 518 S HA -0.121 4.348 4.470 -0.001 0.000 0.225 518 S C 1.996 176.562 174.600 -0.056 0.000 1.030 518 S CA 1.281 59.435 58.200 -0.077 0.000 0.999 518 S CB -0.016 63.153 63.200 -0.052 0.000 0.844 518 S HN 0.436 nan 8.310 nan 0.000 0.459 519 A N 0.349 123.129 122.820 -0.067 0.000 2.206 519 A HA 0.591 4.911 4.320 -0.001 0.000 0.211 519 A C 1.038 178.623 177.584 0.002 0.000 1.158 519 A CA 0.619 52.644 52.037 -0.020 0.000 0.761 519 A CB -0.539 18.460 19.000 -0.001 0.000 0.801 519 A HN 0.605 nan 8.150 nan 0.000 0.473 520 A N 0.513 123.300 122.820 -0.055 0.000 2.437 520 A HA 0.448 4.768 4.320 -0.001 0.000 0.303 520 A C 1.098 178.729 177.584 0.078 0.000 1.324 520 A CA -0.545 51.511 52.037 0.032 0.000 0.983 520 A CB -0.029 18.869 19.000 -0.171 0.000 1.142 520 A HN 0.316 nan 8.150 nan 0.000 0.541 521 R N 1.231 121.796 120.500 0.108 0.000 2.246 521 R HA 0.038 4.377 4.340 -0.001 0.000 0.199 521 R C 0.389 176.762 176.300 0.122 0.000 0.984 521 R CA 1.021 57.178 56.100 0.095 0.000 1.015 521 R CB 0.048 30.394 30.300 0.077 0.000 0.930 521 R HN 0.961 nan 8.270 nan 0.000 0.475 522 E N -1.213 119.087 120.200 0.166 0.000 2.445 522 E HA 0.240 4.590 4.350 -0.001 0.000 0.273 522 E C 0.423 177.176 176.600 0.254 0.000 0.961 522 E CA -0.322 56.185 56.400 0.178 0.000 0.807 522 E CB 0.941 30.723 29.700 0.137 0.000 1.362 522 E HN -0.149 nan 8.360 nan 0.000 0.453 523 S N 0.957 116.802 115.700 0.242 0.000 2.368 523 S HA -0.269 4.200 4.470 -0.001 0.000 0.226 523 S C 1.121 175.914 174.600 0.321 0.000 1.044 523 S CA 1.469 59.844 58.200 0.292 0.000 1.062 523 S CB -1.099 62.213 63.200 0.188 0.000 0.931 523 S HN 0.836 nan 8.310 nan 0.000 0.440 524 S N 0.308 116.116 115.700 0.179 0.000 3.257 524 S HA -0.111 4.359 4.470 -0.001 0.000 0.300 524 S C 0.498 175.065 174.600 -0.054 0.000 1.275 524 S CA 0.670 58.905 58.200 0.058 0.000 1.023 524 S CB -2.311 60.915 63.200 0.043 0.000 1.180 524 S HN 1.284 nan 8.310 nan 0.000 0.660 525 G N 0.132 108.915 108.800 -0.029 0.000 2.367 525 G HA2 0.577 4.537 3.960 -0.001 0.000 0.314 525 G HA3 0.577 4.537 3.960 -0.001 0.000 0.314 525 G C -0.600 174.117 174.900 -0.305 0.000 1.130 525 G CA 0.235 45.145 45.100 -0.317 0.000 0.864 525 G HN 0.355 nan 8.290 nan 0.000 0.486 526 T N 0.099 114.401 114.554 -0.420 0.000 2.912 526 T HA 0.428 4.778 4.350 -0.001 0.000 0.299 526 T C -0.611 173.880 174.700 -0.348 0.000 1.052 526 T CA -0.416 61.506 62.100 -0.297 0.000 0.996 526 T CB 1.578 70.319 68.868 -0.212 0.000 1.070 526 T HN 0.371 nan 8.240 nan 0.000 0.465 527 V N 7.093 126.849 119.914 -0.264 0.000 2.455 527 V HA 0.260 4.379 4.120 -0.001 0.000 0.273 527 V C 1.365 177.331 176.094 -0.214 0.000 1.045 527 V CA -0.033 62.112 62.300 -0.258 0.000 0.976 527 V CB 0.726 32.426 31.823 -0.206 0.000 0.993 527 V HN 0.852 nan 8.190 nan 0.000 0.475 528 L N 2.943 124.030 121.223 -0.226 0.000 2.084 528 L HA 0.151 4.491 4.340 -0.001 0.000 0.202 528 L C 0.696 177.485 176.870 -0.136 0.000 1.074 528 L CA 0.949 55.692 54.840 -0.162 0.000 0.757 528 L CB -0.056 41.916 42.059 -0.146 0.000 0.918 528 L HN 0.586 nan 8.230 nan 0.000 0.444 529 Q N -0.499 119.188 119.800 -0.189 0.000 2.522 529 Q HA 0.426 4.766 4.340 -0.001 0.000 0.285 529 Q C -0.948 174.863 176.000 -0.315 0.000 0.982 529 Q CA -0.288 55.417 55.803 -0.164 0.000 0.805 529 Q CB 2.564 31.287 28.738 -0.025 0.000 1.457 529 Q HN 0.213 nan 8.270 nan 0.000 0.394 530 T N -2.268 112.166 114.554 -0.201 0.000 2.883 530 T HA 0.993 5.342 4.350 -0.001 0.000 0.301 530 T C -1.030 173.683 174.700 0.022 0.000 1.158 530 T CA -0.347 61.626 62.100 -0.212 0.000 1.007 530 T CB 2.249 71.021 68.868 -0.160 0.000 1.186 530 T HN 0.808 nan 8.240 nan 0.000 0.499 531 A N 1.294 124.199 122.820 0.142 0.000 2.599 531 A HA 0.868 5.187 4.320 -0.001 0.000 0.290 531 A C -3.265 174.446 177.584 0.211 0.000 1.101 531 A CA -1.685 50.474 52.037 0.204 0.000 0.674 531 A CB 0.535 19.711 19.000 0.293 0.000 1.277 531 A HN 0.662 nan 8.150 nan 0.000 0.419 532 P HA 0.282 nan 4.420 nan 0.000 0.261 532 P C 0.976 178.369 177.300 0.155 0.000 1.183 532 P CA 2.434 65.614 63.100 0.134 0.000 0.761 532 P CB 0.394 32.135 31.700 0.068 0.000 0.785 533 G N 2.066 110.966 108.800 0.168 0.000 2.155 533 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.257 533 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.257 533 G C -0.263 174.863 174.900 0.377 0.000 0.983 533 G CA -0.114 45.006 45.100 0.032 0.000 0.676 533 G HN 0.557 nan 8.290 nan 0.000 0.528 534 F N 1.211 121.345 119.950 0.307 0.000 2.574 534 F HA 0.721 5.248 4.527 -0.001 0.000 0.313 534 F C -0.521 175.366 175.800 0.146 0.000 1.130 534 F CA -2.021 56.105 58.000 0.211 0.000 0.936 534 F CB 1.173 40.227 39.000 0.090 0.000 1.219 534 F HN 0.447 nan 8.300 nan 0.000 0.445 535 I N 2.858 123.166 120.570 -0.437 0.000 2.828 535 I HA 0.996 5.166 4.170 -0.001 0.000 0.302 535 I C -1.541 174.160 176.117 -0.693 0.000 1.101 535 I CA -1.133 59.789 61.300 -0.630 0.000 1.031 535 I CB 2.161 39.946 38.000 -0.358 0.000 1.231 535 I HN 0.824 nan 8.210 nan 0.000 0.427 536 A N 4.943 127.404 122.820 -0.598 0.000 2.402 536 A HA 0.799 5.119 4.320 -0.001 0.000 0.291 536 A C -0.838 176.555 177.584 -0.318 0.000 1.051 536 A CA -0.490 51.337 52.037 -0.350 0.000 0.716 536 A CB 1.532 20.378 19.000 -0.257 0.000 1.223 536 A HN 1.301 nan 8.150 nan 0.000 0.425 537 V N -0.714 119.003 119.914 -0.329 0.000 3.078 537 V HA 0.981 5.101 4.120 -0.001 0.000 0.311 537 V C -0.262 175.476 176.094 -0.593 0.000 1.138 537 V CA -0.613 61.371 62.300 -0.526 0.000 1.007 537 V CB 1.640 33.014 31.823 -0.747 0.000 1.045 537 V HN 1.168 nan 8.190 nan 0.000 0.432 538 S N 1.833 117.114 115.700 -0.698 0.000 2.541 538 S HA 0.763 5.232 4.470 -0.001 0.000 0.280 538 S C -1.799 172.419 174.600 -0.638 0.000 1.112 538 S CA -0.518 57.388 58.200 -0.491 0.000 0.925 538 S CB 1.474 64.520 63.200 -0.257 0.000 1.067 538 S HN 0.803 nan 8.310 nan 0.000 0.479 539 W N 3.371 124.489 121.300 -0.303 0.000 2.600 539 W HA 0.428 5.088 4.660 -0.001 0.000 0.325 539 W C 0.084 176.179 176.519 -0.706 0.000 1.034 539 W CA -0.824 56.167 57.345 -0.590 0.000 1.226 539 W CB 1.577 30.527 29.460 -0.849 0.000 1.379 539 W HN 0.613 nan 8.180 nan 0.000 0.466 540 R N 3.242 123.498 120.500 -0.407 0.000 2.471 540 R HA 0.350 4.689 4.340 -0.001 0.000 0.292 540 R C -1.064 175.129 176.300 -0.178 0.000 1.192 540 R CA -0.232 55.726 56.100 -0.237 0.000 1.257 540 R CB -0.160 30.071 30.300 -0.114 0.000 1.130 540 R HN 0.116 nan 8.270 nan 0.000 0.558 541 F N 3.544 123.552 119.950 0.096 0.000 2.380 541 F HA 0.418 4.944 4.527 -0.001 0.000 0.321 541 F C -1.082 174.747 175.800 0.049 0.000 1.103 541 F CA -2.712 55.329 58.000 0.069 0.000 1.067 541 F CB 0.756 39.788 39.000 0.054 0.000 1.265 541 F HN 0.366 nan 8.300 nan 0.000 0.517 542 P HA -0.100 nan 4.420 nan 0.000 0.217 542 P C 1.366 178.739 177.300 0.122 0.000 1.148 542 P CA 1.648 64.834 63.100 0.143 0.000 0.828 542 P CB 0.110 31.873 31.700 0.104 0.000 0.783 543 G N -2.087 106.797 108.800 0.140 0.000 3.042 543 G HA2 0.431 4.390 3.960 -0.001 0.000 0.212 543 G HA3 0.431 4.390 3.960 -0.001 0.000 0.212 543 G C 0.495 175.470 174.900 0.124 0.000 1.166 543 G CA 0.467 45.628 45.100 0.103 0.000 0.767 543 G HN 0.577 nan 8.290 nan 0.000 0.546 544 G N -1.702 107.199 108.800 0.169 0.000 2.339 544 G HA2 0.368 4.327 3.960 -0.001 0.000 0.302 544 G HA3 0.368 4.327 3.960 -0.001 0.000 0.302 544 G C -1.242 173.751 174.900 0.155 0.000 1.425 544 G CA -0.660 44.527 45.100 0.145 0.000 0.899 544 G HN 0.168 nan 8.290 nan 0.000 0.619 545 T N 1.039 115.650 114.554 0.095 0.000 2.770 545 T HA 0.517 4.866 4.350 -0.001 0.000 0.297 545 T C -0.294 174.461 174.700 0.092 0.000 0.997 545 T CA -0.235 61.897 62.100 0.053 0.000 0.949 545 T CB 1.169 70.046 68.868 0.016 0.000 0.941 545 T HN 0.654 nan 8.240 nan 0.000 0.457 546 L N 3.782 125.091 121.223 0.143 0.000 2.289 546 L HA 0.687 5.027 4.340 -0.001 0.000 0.285 546 L C -0.319 176.723 176.870 0.287 0.000 1.049 546 L CA 0.287 55.265 54.840 0.230 0.000 0.804 546 L CB 1.218 43.459 42.059 0.304 0.000 1.195 546 L HN 0.528 nan 8.230 nan 0.000 0.428 547 S N 5.419 121.250 115.700 0.218 0.000 2.536 547 S HA 0.758 5.227 4.470 -0.001 0.000 0.287 547 S C -1.240 173.474 174.600 0.190 0.000 1.101 547 S CA -0.574 57.712 58.200 0.144 0.000 0.950 547 S CB 1.800 65.030 63.200 0.050 0.000 1.056 547 S HN 0.695 nan 8.310 nan 0.000 0.481 548 L N 2.208 123.519 121.223 0.146 0.000 2.436 548 L HA 0.891 5.230 4.340 -0.001 0.000 0.268 548 L C -1.247 175.673 176.870 0.082 0.000 0.974 548 L CA -0.353 54.590 54.840 0.172 0.000 0.826 548 L CB 1.501 43.744 42.059 0.307 0.000 1.291 548 L HN 0.820 nan 8.230 nan 0.000 0.406 549 A N 4.622 127.520 122.820 0.130 0.000 2.393 549 A HA 0.809 5.128 4.320 -0.001 0.000 0.306 549 A C -1.981 175.737 177.584 0.222 0.000 1.050 549 A CA -0.477 51.649 52.037 0.148 0.000 0.724 549 A CB 1.837 20.974 19.000 0.229 0.000 1.248 549 A HN 0.674 nan 8.150 nan 0.000 0.424 550 L N 1.919 123.291 121.223 0.248 0.000 2.410 550 L HA 0.769 5.108 4.340 -0.001 0.000 0.270 550 L C -1.195 175.929 176.870 0.423 0.000 0.983 550 L CA -0.292 54.731 54.840 0.305 0.000 0.822 550 L CB 2.140 44.359 42.059 0.266 0.000 1.285 550 L HN 0.674 nan 8.230 nan 0.000 0.409 551 N N 4.191 123.098 118.700 0.345 0.000 2.504 551 N HA 0.379 5.118 4.740 -0.001 0.000 0.280 551 N C -0.030 175.578 175.510 0.162 0.000 1.052 551 N CA -0.548 52.666 53.050 0.273 0.000 0.887 551 N CB 1.015 39.567 38.487 0.109 0.000 1.323 551 N HN 0.720 nan 8.380 nan 0.000 0.509 552 I N 0.549 121.190 120.570 0.118 0.000 3.928 552 I HA 0.349 4.518 4.170 -0.001 0.000 0.335 552 I C 0.588 176.693 176.117 -0.019 0.000 1.325 552 I CA -0.486 60.849 61.300 0.059 0.000 1.107 552 I CB -0.035 37.928 38.000 -0.062 0.000 1.014 552 I HN 0.318 nan 8.210 nan 0.000 0.400 553 S N 1.414 117.059 115.700 -0.091 0.000 2.608 553 S HA 0.519 4.989 4.470 -0.001 0.000 0.261 553 S C 1.256 175.691 174.600 -0.276 0.000 1.314 553 S CA -0.043 58.084 58.200 -0.121 0.000 0.992 553 S CB 1.581 64.728 63.200 -0.087 0.000 0.935 553 S HN 0.343 nan 8.310 nan 0.000 0.564 554 A N 0.470 123.190 122.820 -0.166 0.000 2.238 554 A HA 0.340 4.659 4.320 -0.001 0.000 0.208 554 A C 1.107 178.581 177.584 -0.184 0.000 1.177 554 A CA 0.638 52.573 52.037 -0.170 0.000 0.804 554 A CB -1.056 17.936 19.000 -0.014 0.000 0.823 554 A HN 1.155 nan 8.150 nan 0.000 0.482 555 T N -4.284 110.160 114.554 -0.182 0.000 2.906 555 T HA 0.513 4.862 4.350 -0.001 0.000 0.295 555 T C -0.225 174.373 174.700 -0.169 0.000 1.075 555 T CA -0.456 61.555 62.100 -0.149 0.000 1.005 555 T CB 1.117 69.921 68.868 -0.105 0.000 1.136 555 T HN -0.057 nan 8.240 nan 0.000 0.498 556 T N 1.977 116.442 114.554 -0.148 0.000 2.940 556 T HA 0.460 4.810 4.350 -0.001 0.000 0.309 556 T C 0.463 175.050 174.700 -0.188 0.000 1.056 556 T CA -0.255 61.752 62.100 -0.154 0.000 1.137 556 T CB 0.220 69.015 68.868 -0.121 0.000 0.976 556 T HN 1.020 nan 8.240 nan 0.000 0.547 557 V N 1.819 121.581 119.914 -0.254 0.000 2.769 557 V HA 0.659 4.779 4.120 -0.001 0.000 0.312 557 V C -0.353 175.556 176.094 -0.309 0.000 1.061 557 V CA -1.315 60.765 62.300 -0.367 0.000 0.931 557 V CB 1.370 32.741 31.823 -0.753 0.000 1.010 557 V HN 0.743 nan 8.190 nan 0.000 0.433 558 L N 3.678 124.749 121.223 -0.253 0.000 2.397 558 L HA 0.477 4.816 4.340 -0.001 0.000 0.271 558 L C -0.156 176.631 176.870 -0.139 0.000 1.148 558 L CA -0.200 54.548 54.840 -0.154 0.000 0.825 558 L CB 0.986 42.989 42.059 -0.093 0.000 1.117 558 L HN 0.536 nan 8.230 nan 0.000 0.456 559 L N 3.592 124.789 121.223 -0.043 0.000 2.344 559 L HA 0.524 4.863 4.340 -0.001 0.000 0.272 559 L C -2.006 174.905 176.870 0.069 0.000 1.035 559 L CA -1.945 52.933 54.840 0.063 0.000 0.807 559 L CB 1.640 43.739 42.059 0.067 0.000 1.237 559 L HN 0.403 nan 8.230 nan 0.000 0.442 560 P HA 0.088 nan 4.420 nan 0.000 0.274 560 P C -1.320 176.000 177.300 0.034 0.000 1.246 560 P CA -0.465 62.666 63.100 0.052 0.000 0.795 560 P CB 0.492 32.217 31.700 0.041 0.000 1.006 561 D N 1.062 121.471 120.400 0.015 0.000 2.402 561 D HA 0.187 4.826 4.640 -0.001 0.000 0.235 561 D C 0.002 176.307 176.300 0.008 0.000 1.226 561 D CA 0.202 54.208 54.000 0.011 0.000 0.918 561 D CB -0.435 40.367 40.800 0.004 0.000 1.043 561 D HN 0.194 nan 8.370 nan 0.000 0.506 562 L N 4.667 125.900 121.223 0.016 0.000 2.319 562 L HA 0.308 4.648 4.340 -0.001 0.000 0.280 562 L C -1.859 175.021 176.870 0.015 0.000 1.099 562 L CA -1.627 53.222 54.840 0.015 0.000 0.828 562 L CB 0.509 42.586 42.059 0.030 0.000 1.150 562 L HN 0.076 nan 8.230 nan 0.000 0.442 563 P HA 0.440 nan 4.420 nan 0.000 0.279 563 P C 0.125 177.437 177.300 0.020 0.000 1.252 563 P CA 0.117 63.224 63.100 0.013 0.000 0.811 563 P CB 1.627 33.333 31.700 0.009 0.000 1.035 564 G N 0.853 109.664 108.800 0.017 0.000 2.660 564 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.247 564 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.247 564 G C -0.884 174.023 174.900 0.013 0.000 1.328 564 G CA -0.349 44.762 45.100 0.018 0.000 0.884 564 G HN 0.885 nan 8.290 nan 0.000 0.531 565 K N -0.755 119.648 120.400 0.006 0.000 2.118 565 K HA 0.654 4.973 4.320 -0.001 0.000 0.264 565 K C 0.031 176.624 176.600 -0.012 0.000 1.000 565 K CA -0.175 56.109 56.287 -0.004 0.000 0.929 565 K CB 0.956 33.449 32.500 -0.011 0.000 1.021 565 K HN 0.490 nan 8.250 nan 0.000 0.463 566 T N 3.065 117.615 114.554 -0.007 0.000 2.870 566 T HA 0.106 4.455 4.350 -0.001 0.000 0.300 566 T C 1.104 175.790 174.700 -0.024 0.000 0.989 566 T CA -0.394 61.707 62.100 0.001 0.000 1.139 566 T CB 0.444 69.315 68.868 0.005 0.000 0.920 566 T HN 0.527 nan 8.240 nan 0.000 0.537 567 L N 1.598 122.815 121.223 -0.010 0.000 2.316 567 L HA 0.438 4.778 4.340 -0.001 0.000 0.207 567 L C 0.098 177.064 176.870 0.160 0.000 1.070 567 L CA 0.502 55.313 54.840 -0.048 0.000 0.820 567 L CB 0.271 42.269 42.059 -0.101 0.000 0.992 567 L HN 0.531 nan 8.230 nan 0.000 0.466 568 F N 0.150 120.101 119.950 0.002 0.000 2.622 568 F HA 0.627 5.154 4.527 -0.001 0.000 0.318 568 F C -1.356 174.505 175.800 0.101 0.000 1.135 568 F CA -0.966 57.065 58.000 0.052 0.000 1.015 568 F CB 1.321 40.341 39.000 0.034 0.000 1.275 568 F HN -0.246 nan 8.300 nan 0.000 0.457 569 A N 4.585 127.125 122.820 -0.467 0.000 2.408 569 A HA 0.716 5.036 4.320 -0.001 0.000 0.295 569 A C -2.416 174.958 177.584 -0.350 0.000 1.040 569 A CA -0.436 51.449 52.037 -0.254 0.000 0.707 569 A CB 0.843 19.772 19.000 -0.118 0.000 1.235 569 A HN 0.878 nan 8.150 nan 0.000 0.418 570 W N 4.762 125.858 121.300 -0.342 0.000 3.259 570 W HA 0.568 5.227 4.660 -0.001 0.000 0.331 570 W C -2.701 173.798 176.519 -0.033 0.000 1.144 570 W CA -1.604 55.614 57.345 -0.212 0.000 1.227 570 W CB 2.433 31.817 29.460 -0.126 0.000 1.371 570 W HN 0.478 nan 8.180 nan 0.000 0.491 571 P HA -0.009 nan 4.420 nan 0.000 0.224 571 P C -0.472 176.502 177.300 -0.544 0.000 1.157 571 P CA 1.421 63.793 63.100 -1.212 0.000 0.799 571 P CB 0.395 31.433 31.700 -1.105 0.000 0.809 572 N N -0.973 117.536 118.700 -0.319 0.000 2.571 572 N HA 0.201 4.941 4.740 -0.001 0.000 0.273 572 N C -0.997 174.436 175.510 -0.129 0.000 1.340 572 N CA -0.537 52.394 53.050 -0.198 0.000 0.789 572 N CB 1.995 40.382 38.487 -0.168 0.000 1.514 572 N HN -0.101 nan 8.380 nan 0.000 0.499 573 E N 0.181 120.324 120.200 -0.096 0.000 2.179 573 E HA 0.486 4.836 4.350 -0.001 0.000 0.275 573 E C -1.136 175.432 176.600 -0.054 0.000 0.945 573 E CA -0.406 55.957 56.400 -0.062 0.000 0.792 573 E CB 0.960 30.631 29.700 -0.048 0.000 1.125 573 E HN 0.390 nan 8.360 nan 0.000 0.397 574 S N 1.942 117.617 115.700 -0.042 0.000 2.536 574 S HA 0.377 4.846 4.470 -0.001 0.000 0.298 574 S C -0.912 173.671 174.600 -0.028 0.000 1.083 574 S CA -0.784 57.392 58.200 -0.040 0.000 0.995 574 S CB 2.009 65.180 63.200 -0.048 0.000 1.058 574 S HN 0.525 nan 8.310 nan 0.000 0.488 575 T N 1.976 116.514 114.554 -0.027 0.000 2.749 575 T HA 0.498 4.848 4.350 -0.001 0.000 0.295 575 T C 1.234 175.921 174.700 -0.021 0.000 0.936 575 T CA 0.540 62.628 62.100 -0.019 0.000 1.060 575 T CB 0.656 69.514 68.868 -0.018 0.000 0.904 575 T HN 1.083 nan 8.240 nan 0.000 0.500 576 G N 2.992 111.784 108.800 -0.014 0.000 2.168 576 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.263 576 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.263 576 G C 0.283 175.165 174.900 -0.030 0.000 0.977 576 G CA 0.408 45.499 45.100 -0.016 0.000 0.659 576 G HN 1.311 nan 8.290 nan 0.000 0.533 577 S N -1.732 113.946 115.700 -0.036 0.000 2.638 577 S HA 0.830 5.300 4.470 -0.001 0.000 0.274 577 S C -1.391 173.177 174.600 -0.054 0.000 1.157 577 S CA -0.810 57.351 58.200 -0.064 0.000 0.826 577 S CB 2.661 65.817 63.200 -0.075 0.000 1.139 577 S HN 1.360 nan 8.310 nan 0.000 0.474 578 L N 1.791 122.963 121.223 -0.085 0.000 2.441 578 L HA 0.653 4.993 4.340 -0.001 0.000 0.270 578 L C -0.159 176.657 176.870 -0.090 0.000 0.973 578 L CA 0.080 54.887 54.840 -0.056 0.000 0.842 578 L CB 1.768 43.819 42.059 -0.013 0.000 1.239 578 L HN 0.920 nan 8.230 nan 0.000 0.406 579 S N 2.697 118.351 115.700 -0.077 0.000 2.596 579 S HA 0.266 4.736 4.470 -0.001 0.000 0.260 579 S C -0.487 174.039 174.600 -0.125 0.000 1.336 579 S CA -0.589 57.550 58.200 -0.102 0.000 0.993 579 S CB 0.451 63.594 63.200 -0.096 0.000 0.923 579 S HN 0.647 nan 8.310 nan 0.000 0.567 580 Q N 1.919 121.602 119.800 -0.196 0.000 2.333 580 Q HA -0.097 4.242 4.340 -0.001 0.000 0.299 580 Q C -0.441 175.392 176.000 -0.277 0.000 1.067 580 Q CA 0.293 55.855 55.803 -0.401 0.000 0.943 580 Q CB -0.316 28.073 28.738 -0.583 0.000 1.233 580 Q HN 0.854 nan 8.270 nan 0.000 0.401 581 H N -0.728 118.364 119.070 0.036 0.000 2.756 581 H HA -0.113 4.442 4.556 -0.001 0.000 0.315 581 H C -0.903 174.515 175.328 0.150 0.000 1.210 581 H CA 1.021 57.121 56.048 0.088 0.000 1.150 581 H CB -2.044 27.754 29.762 0.059 0.000 1.463 581 H HN 0.618 nan 8.280 nan 0.000 0.427 582 S N -0.205 115.621 115.700 0.210 0.000 2.627 582 S HA 0.780 5.250 4.470 -0.001 0.000 0.283 582 S C -0.220 174.543 174.600 0.272 0.000 1.127 582 S CA -0.873 57.463 58.200 0.227 0.000 0.863 582 S CB 3.051 66.301 63.200 0.083 0.000 1.121 582 S HN 0.275 nan 8.310 nan 0.000 0.479 583 L N 1.621 123.026 121.223 0.303 0.000 2.424 583 L HA 0.873 5.212 4.340 -0.001 0.000 0.258 583 L C -1.900 175.110 176.870 0.233 0.000 0.995 583 L CA -0.554 54.463 54.840 0.296 0.000 0.821 583 L CB 1.840 44.130 42.059 0.384 0.000 1.383 583 L HN 0.710 nan 8.230 nan 0.000 0.410 584 I N 3.434 124.129 120.570 0.209 0.000 2.619 584 I HA 0.744 4.913 4.170 -0.001 0.000 0.292 584 I C -1.630 174.598 176.117 0.184 0.000 1.100 584 I CA -0.366 61.031 61.300 0.163 0.000 1.043 584 I CB 2.294 40.359 38.000 0.107 0.000 1.239 584 I HN 0.338 nan 8.210 nan 0.000 0.420 585 V N 7.483 127.510 119.914 0.188 0.000 2.531 585 V HA 0.669 4.789 4.120 -0.001 0.000 0.301 585 V C -0.223 175.940 176.094 0.115 0.000 1.034 585 V CA -0.676 61.728 62.300 0.172 0.000 0.865 585 V CB 1.780 33.719 31.823 0.193 0.000 0.995 585 V HN 0.663 nan 8.190 nan 0.000 0.424 586 R N 3.266 123.824 120.500 0.097 0.000 2.854 586 R HA 0.791 5.131 4.340 -0.001 0.000 0.271 586 R C -1.817 174.519 176.300 0.059 0.000 0.994 586 R CA -1.045 55.090 56.100 0.058 0.000 0.945 586 R CB 2.764 33.094 30.300 0.050 0.000 1.194 586 R HN 0.485 nan 8.270 nan 0.000 0.476 587 L N 0.890 122.131 121.223 0.030 0.000 2.476 587 L HA 0.571 4.910 4.340 -0.001 0.000 0.269 587 L C -1.420 175.473 176.870 0.037 0.000 0.965 587 L CA -0.302 54.564 54.840 0.044 0.000 0.845 587 L CB 1.928 44.002 42.059 0.025 0.000 1.259 587 L HN 0.801 nan 8.230 nan 0.000 0.403 588 A N 5.721 128.571 122.820 0.049 0.000 2.258 588 A HA 0.800 5.119 4.320 -0.001 0.000 0.316 588 A C -0.657 176.958 177.584 0.051 0.000 1.279 588 A CA -0.337 51.724 52.037 0.040 0.000 0.876 588 A CB 0.700 19.719 19.000 0.032 0.000 1.170 588 A HN 0.748 nan 8.150 nan 0.000 0.520 589 Q N 0.000 119.828 119.800 0.047 0.000 2.315 589 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 589 Q CA 0.000 55.835 55.803 0.053 0.000 1.022 589 Q CB 0.000 28.778 28.738 0.067 0.000 1.108 589 Q HN 0.000 nan 8.270 nan 0.000 0.481