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 1su8_1_A DATA FIRST_RESID 4 DATA SEQUENCE QNLKSTDRAV QQMLDKAKRE GIQTVWDRYE AMKPQCGFGE TGLCCRHCLQ DATA SEQUENCE GPCRINPFGD EPKVGICGAT AEVIVARGLD RSIAAGAAGH SGHAKHLAHT DATA SEQUENCE LKKAVQGKAA SYMIKDRTKL HSIAKRLGIP TEGQKDEDIA LEVAKAALAD DATA SEQUENCE FHEKDTPVLW VTTVLPPSRV KVLSAHGLIP AGIDHEIAEI MHRTSMGCDA DATA SEQUENCE DAQNLLLGGL RCSLADLAGC YMGTDLADIL FGTPAPVVTE SNLGVLKADA DATA SEQUENCE VNVAVHGHNP VLSDIIVSVS KEMENEARAA GATGINVVGI CCTGNEVLMR DATA SEQUENCE HGIPACTHSV SQEMAMITGA LDAMILDYQC IQPSVATIAE CTGTTVITTM DATA SEQUENCE EMSKITGATH VNFAEEAAVE NAKQILRLAI DTFKRRKGKP VEIPNIKTKV DATA SEQUENCE VAGFSTEAII NALSKLNAND PLKPLIDNVV NGNIRGVCLF AGCNNVKVPQ DATA SEQUENCE DQNFTTIARK LLKQNVLVVA TGCGAGALMR HGFMDPANVD ELCGDGLKAV DATA SEQUENCE LTAIGEANGL GGPLPPVLHM GSCVDNSRAV ALVAALANRL GVDLDRLPVV DATA SEQUENCE ASAAEAMHEK AVAIGTWAVT IGLPTHIGVL PPITGSLPVT QILTSSVKDI DATA SEQUENCE TGGYFIVELD PETAADKLLA AINERRAGLG LPW 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.901 176.000 -0.166 0.000 1.003 4 Q CA 0.000 55.709 55.803 -0.156 0.000 1.022 4 Q CB 0.000 28.644 28.738 -0.156 0.000 1.108 5 N N 1.445 120.089 118.700 -0.093 0.000 2.550 5 N HA -0.022 4.718 4.740 -0.001 0.000 0.186 5 N C 1.692 177.168 175.510 -0.057 0.000 1.110 5 N CA 0.527 53.537 53.050 -0.066 0.000 0.912 5 N CB 0.020 38.491 38.487 -0.027 0.000 0.968 5 N HN 0.265 nan 8.380 nan 0.000 0.448 6 L N -0.821 120.363 121.223 -0.065 0.000 2.418 6 L HA 0.123 4.462 4.340 -0.001 0.000 0.218 6 L C 1.476 178.323 176.870 -0.040 0.000 1.125 6 L CA 1.131 55.955 54.840 -0.027 0.000 0.835 6 L CB 0.131 42.184 42.059 -0.009 0.000 0.953 6 L HN -0.038 nan 8.230 nan 0.000 0.454 7 K N -0.745 119.540 120.400 -0.191 0.000 2.141 7 K HA 0.181 4.501 4.320 -0.001 0.000 0.202 7 K C 0.561 176.996 176.600 -0.274 0.000 1.045 7 K CA 0.617 56.643 56.287 -0.434 0.000 0.971 7 K CB 0.285 32.073 32.500 -1.187 0.000 0.795 7 K HN 0.240 nan 8.250 nan 0.000 0.459 8 S N -0.147 115.386 115.700 -0.279 0.000 2.540 8 S HA 0.130 4.599 4.470 -0.001 0.000 0.275 8 S C 0.376 174.974 174.600 -0.003 0.000 1.123 8 S CA -0.739 57.425 58.200 -0.060 0.000 0.907 8 S CB 1.670 64.799 63.200 -0.118 0.000 1.081 8 S HN 0.296 nan 8.310 nan 0.000 0.476 9 T N -0.139 114.468 114.554 0.088 0.000 3.148 9 T HA 0.120 4.470 4.350 -0.001 0.000 0.253 9 T C 0.305 175.156 174.700 0.251 0.000 1.134 9 T CA 0.164 62.338 62.100 0.123 0.000 1.051 9 T CB -0.260 68.647 68.868 0.064 0.000 0.959 9 T HN 0.517 nan 8.240 nan 0.000 0.525 10 D N 1.234 121.759 120.400 0.209 0.000 2.325 10 D HA 0.198 4.837 4.640 -0.001 0.000 0.251 10 D C 1.053 177.372 176.300 0.031 0.000 1.196 10 D CA -0.400 53.662 54.000 0.104 0.000 0.866 10 D CB 1.076 41.926 40.800 0.083 0.000 1.101 10 D HN 0.194 nan 8.370 nan 0.000 0.476 11 R N 2.702 123.209 120.500 0.012 0.000 2.120 11 R HA -0.100 4.240 4.340 -0.001 0.000 0.234 11 R C 1.894 178.185 176.300 -0.015 0.000 1.123 11 R CA 1.343 57.441 56.100 -0.002 0.000 0.975 11 R CB 0.031 30.331 30.300 0.001 0.000 0.866 11 R HN 0.485 nan 8.270 nan 0.000 0.446 12 A N 0.523 123.332 122.820 -0.019 0.000 1.929 12 A HA -0.073 4.246 4.320 -0.001 0.000 0.216 12 A C 2.289 179.869 177.584 -0.007 0.000 1.176 12 A CA 1.043 53.072 52.037 -0.013 0.000 0.628 12 A CB -0.344 18.647 19.000 -0.014 0.000 0.816 12 A HN 0.097 nan 8.150 nan 0.000 0.444 13 V N 0.098 120.013 119.914 0.001 0.000 2.343 13 V HA -0.337 3.783 4.120 -0.001 0.000 0.247 13 V C 2.635 178.691 176.094 -0.062 0.000 1.051 13 V CA 2.294 64.594 62.300 0.000 0.000 1.036 13 V CB -0.977 30.868 31.823 0.037 0.000 0.654 13 V HN 0.640 nan 8.190 nan 0.000 0.451 14 Q N -0.484 119.269 119.800 -0.077 0.000 2.096 14 Q HA -0.315 4.025 4.340 -0.001 0.000 0.204 14 Q C 2.375 178.336 176.000 -0.065 0.000 0.982 14 Q CA 2.115 57.857 55.803 -0.101 0.000 0.850 14 Q CB -0.230 28.464 28.738 -0.073 0.000 0.901 14 Q HN 0.694 nan 8.270 nan 0.000 0.422 15 Q N -0.238 119.540 119.800 -0.037 0.000 2.124 15 Q HA -0.162 4.178 4.340 -0.001 0.000 0.202 15 Q C 1.914 177.904 176.000 -0.017 0.000 0.977 15 Q CA 1.047 56.836 55.803 -0.023 0.000 0.850 15 Q CB 0.162 28.892 28.738 -0.014 0.000 0.901 15 Q HN 0.325 nan 8.270 nan 0.000 0.429 16 M N -0.004 119.590 119.600 -0.010 0.000 2.319 16 M HA -0.080 4.399 4.480 -0.001 0.000 0.265 16 M C 2.037 178.342 176.300 0.008 0.000 1.068 16 M CA 0.982 56.287 55.300 0.008 0.000 1.118 16 M CB -0.564 32.052 32.600 0.028 0.000 1.395 16 M HN 0.301 nan 8.290 nan 0.000 0.435 17 L N -0.144 121.063 121.223 -0.026 0.000 2.093 17 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 17 L C 1.983 178.839 176.870 -0.023 0.000 1.085 17 L CA 0.927 55.745 54.840 -0.037 0.000 0.755 17 L CB -0.609 41.361 42.059 -0.150 0.000 0.904 17 L HN 0.234 nan 8.230 nan 0.000 0.435 18 D N -0.043 120.340 120.400 -0.030 0.000 2.144 18 D HA -0.198 4.442 4.640 -0.001 0.000 0.200 18 D C 2.086 178.384 176.300 -0.003 0.000 0.978 18 D CA 1.084 55.073 54.000 -0.018 0.000 0.833 18 D CB 0.024 40.811 40.800 -0.020 0.000 0.961 18 D HN 0.226 nan 8.370 nan 0.000 0.470 19 K N 0.707 121.108 120.400 0.002 0.000 2.057 19 K HA -0.077 4.243 4.320 -0.001 0.000 0.207 19 K C 2.010 178.621 176.600 0.018 0.000 1.049 19 K CA 1.228 57.521 56.287 0.009 0.000 0.931 19 K CB -0.017 32.489 32.500 0.010 0.000 0.714 19 K HN 0.004 nan 8.250 nan 0.000 0.440 20 A N 1.632 124.469 122.820 0.028 0.000 1.902 20 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 20 A C 2.057 179.663 177.584 0.036 0.000 1.181 20 A CA 1.811 53.872 52.037 0.041 0.000 0.623 20 A CB -0.513 18.526 19.000 0.067 0.000 0.818 20 A HN 0.395 nan 8.150 nan 0.000 0.443 21 K N 0.226 120.643 120.400 0.028 0.000 2.026 21 K HA -0.207 4.113 4.320 -0.001 0.000 0.208 21 K C 2.258 178.869 176.600 0.018 0.000 1.048 21 K CA 1.666 57.967 56.287 0.024 0.000 0.929 21 K CB -0.226 32.281 32.500 0.012 0.000 0.713 21 K HN 0.631 nan 8.250 nan 0.000 0.439 22 R N -0.033 120.475 120.500 0.013 0.000 2.236 22 R HA -0.029 4.311 4.340 -0.001 0.000 0.208 22 R C 0.895 177.203 176.300 0.012 0.000 1.036 22 R CA 1.199 57.306 56.100 0.010 0.000 1.001 22 R CB -0.061 30.242 30.300 0.006 0.000 0.896 22 R HN 0.257 nan 8.270 nan 0.000 0.464 23 E N 0.633 120.843 120.200 0.016 0.000 2.479 23 E HA 0.104 4.454 4.350 -0.001 0.000 0.193 23 E C 0.349 176.961 176.600 0.021 0.000 1.049 23 E CA 0.232 56.642 56.400 0.017 0.000 0.870 23 E CB 0.647 30.358 29.700 0.017 0.000 0.944 23 E HN 0.621 nan 8.360 nan 0.000 0.492 24 G N 2.130 110.944 108.800 0.024 0.000 2.198 24 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.260 24 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.260 24 G C 0.119 175.039 174.900 0.033 0.000 1.025 24 G CA 0.015 45.132 45.100 0.027 0.000 0.769 24 G HN 0.251 nan 8.290 nan 0.000 0.507 25 I N 0.695 121.288 120.570 0.040 0.000 2.304 25 I HA 0.222 4.392 4.170 -0.001 0.000 0.291 25 I C 0.874 177.029 176.117 0.063 0.000 1.018 25 I CA -0.467 60.861 61.300 0.047 0.000 1.260 25 I CB 1.395 39.424 38.000 0.048 0.000 1.390 25 I HN 0.238 nan 8.210 nan 0.000 0.475 26 Q N 5.396 125.233 119.800 0.062 0.000 2.313 26 Q HA 0.180 4.520 4.340 -0.001 0.000 0.266 26 Q C -0.065 175.992 176.000 0.096 0.000 0.989 26 Q CA -0.086 55.762 55.803 0.076 0.000 0.890 26 Q CB 0.972 29.747 28.738 0.061 0.000 1.200 26 Q HN 0.777 nan 8.270 nan 0.000 0.396 27 T N -0.717 113.918 114.554 0.135 0.000 2.938 27 T HA 0.204 4.554 4.350 -0.001 0.000 0.285 27 T C 0.854 175.635 174.700 0.135 0.000 1.028 27 T CA -0.483 61.720 62.100 0.172 0.000 1.005 27 T CB 1.071 70.130 68.868 0.317 0.000 1.157 27 T HN 0.432 nan 8.240 nan 0.000 0.550 28 V N 0.316 120.255 119.914 0.043 0.000 2.380 28 V HA -0.111 4.008 4.120 -0.001 0.000 0.251 28 V C 1.819 177.871 176.094 -0.070 0.000 1.063 28 V CA 1.682 63.910 62.300 -0.120 0.000 1.055 28 V CB -0.896 30.701 31.823 -0.377 0.000 0.657 28 V HN 0.847 nan 8.190 nan 0.000 0.455 29 W N -0.173 121.192 121.300 0.108 0.000 2.402 29 W HA -0.079 4.581 4.660 -0.000 0.000 0.286 29 W C 2.294 178.901 176.519 0.147 0.000 1.221 29 W CA 1.251 58.692 57.345 0.160 0.000 1.257 29 W CB -0.682 28.853 29.460 0.124 0.000 1.120 29 W HN 0.414 nan 8.180 nan 0.000 0.551 30 D N -0.204 120.380 120.400 0.306 0.000 2.144 30 D HA -0.105 4.535 4.640 -0.001 0.000 0.200 30 D C 2.110 178.489 176.300 0.131 0.000 0.978 30 D CA 1.134 55.243 54.000 0.182 0.000 0.833 30 D CB -0.339 40.544 40.800 0.139 0.000 0.961 30 D HN 0.215 nan 8.370 nan 0.000 0.470 31 R N -0.299 120.276 120.500 0.125 0.000 2.115 31 R HA -0.135 4.204 4.340 -0.001 0.000 0.230 31 R C 2.281 178.659 176.300 0.130 0.000 1.111 31 R CA 0.647 56.803 56.100 0.093 0.000 0.976 31 R CB -0.370 29.968 30.300 0.063 0.000 0.870 31 R HN 0.237 nan 8.270 nan 0.000 0.445 32 Y N 2.209 122.517 120.300 0.012 0.000 2.145 32 Y HA -0.234 4.316 4.550 -0.001 0.000 0.286 32 Y C 2.238 178.163 175.900 0.041 0.000 1.145 32 Y CA 1.773 59.881 58.100 0.013 0.000 1.148 32 Y CB -0.395 38.064 38.460 -0.000 0.000 0.981 32 Y HN -0.041 nan 8.280 nan 0.000 0.507 33 E N 0.492 120.642 120.200 -0.082 0.000 2.118 33 E HA -0.176 4.174 4.350 -0.001 0.000 0.195 33 E C 2.171 178.700 176.600 -0.118 0.000 0.992 33 E CA 1.570 57.856 56.400 -0.190 0.000 0.804 33 E CB -0.604 29.070 29.700 -0.043 0.000 0.741 33 E HN 0.484 nan 8.360 nan 0.000 0.458 34 A N -0.398 122.403 122.820 -0.032 0.000 2.121 34 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 34 A C 2.016 179.589 177.584 -0.017 0.000 1.154 34 A CA 1.432 53.461 52.037 -0.013 0.000 0.679 34 A CB -0.402 18.607 19.000 0.015 0.000 0.795 34 A HN 0.368 nan 8.150 nan 0.000 0.458 35 M N -0.469 119.118 119.600 -0.021 0.000 2.510 35 M HA 0.196 4.676 4.480 -0.001 0.000 0.256 35 M C 0.369 176.651 176.300 -0.030 0.000 1.132 35 M CA 0.573 55.875 55.300 0.003 0.000 1.105 35 M CB -0.109 32.533 32.600 0.070 0.000 1.375 35 M HN 0.116 nan 8.290 nan 0.000 0.477 36 K N 2.026 122.363 120.400 -0.105 0.000 2.237 36 K HA 0.291 4.611 4.320 -0.001 0.000 0.270 36 K C -2.172 174.393 176.600 -0.059 0.000 1.015 36 K CA -1.524 54.698 56.287 -0.108 0.000 0.949 36 K CB -0.008 32.374 32.500 -0.196 0.000 0.976 36 K HN 0.142 nan 8.250 nan 0.000 0.472 37 P HA 0.075 nan 4.420 nan 0.000 0.279 37 P C -0.935 176.361 177.300 -0.006 0.000 1.239 37 P CA -0.348 62.735 63.100 -0.029 0.000 0.789 37 P CB 0.865 32.552 31.700 -0.022 0.000 0.933 38 Q N 0.360 120.166 119.800 0.010 0.000 2.368 38 Q HA 0.202 4.542 4.340 -0.001 0.000 0.237 38 Q C 0.015 176.025 176.000 0.018 0.000 0.987 38 Q CA -0.447 55.375 55.803 0.032 0.000 0.896 38 Q CB 0.945 29.722 28.738 0.064 0.000 1.241 38 Q HN 0.556 nan 8.270 nan 0.000 0.485 39 C N 1.586 120.908 119.300 0.036 0.000 2.648 39 C HA 0.186 4.646 4.460 -0.001 0.000 0.415 39 C C 1.739 176.725 174.990 -0.007 0.000 1.366 39 C CA 0.067 59.113 59.018 0.048 0.000 1.756 39 C CB -0.903 26.905 27.740 0.113 0.000 2.549 39 C HN 0.977 nan 8.230 nan 0.000 0.597 40 G N 3.840 112.562 108.800 -0.130 0.000 2.484 40 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.218 40 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.218 40 G C 1.004 175.751 174.900 -0.255 0.000 1.130 40 G CA 0.527 45.491 45.100 -0.226 0.000 0.784 40 G HN 0.761 nan 8.290 nan 0.000 0.543 41 F N 1.523 121.461 119.950 -0.020 0.000 2.113 41 F HA 0.087 4.614 4.527 -0.000 0.000 0.297 41 F C 2.863 178.642 175.800 -0.036 0.000 1.103 41 F CA 1.080 59.060 58.000 -0.034 0.000 1.248 41 F CB -0.779 38.202 39.000 -0.032 0.000 0.999 41 F HN 0.148 nan 8.300 nan 0.000 0.475 42 G N -0.500 108.397 108.800 0.162 0.000 2.408 42 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.217 42 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.217 42 G C 1.517 176.432 174.900 0.026 0.000 1.150 42 G CA 0.683 45.828 45.100 0.075 0.000 0.776 42 G HN 0.352 nan 8.290 nan 0.000 0.542 43 E N 0.000 120.204 120.200 0.006 0.000 2.110 43 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 43 E C 2.708 179.290 176.600 -0.031 0.000 0.988 43 E CA 1.515 57.905 56.400 -0.016 0.000 0.804 43 E CB -0.096 29.590 29.700 -0.024 0.000 0.745 43 E HN 0.604 nan 8.360 nan 0.000 0.458 44 T N -3.646 110.886 114.554 -0.036 0.000 3.081 44 T HA 0.251 4.600 4.350 -0.001 0.000 0.250 44 T C 1.497 176.174 174.700 -0.038 0.000 1.100 44 T CA 0.419 62.490 62.100 -0.048 0.000 1.038 44 T CB 0.720 69.543 68.868 -0.075 0.000 0.962 44 T HN 0.275 nan 8.240 nan 0.000 0.516 45 G N 1.556 110.346 108.800 -0.017 0.000 2.176 45 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.253 45 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.253 45 G C 0.248 175.142 174.900 -0.010 0.000 0.979 45 G CA 0.105 45.193 45.100 -0.020 0.000 0.641 45 G HN 0.586 nan 8.290 nan 0.000 0.530 46 L N 0.887 122.125 121.223 0.025 0.000 2.727 46 L HA 0.509 4.849 4.340 -0.001 0.000 0.237 46 L C 0.692 177.603 176.870 0.068 0.000 1.370 46 L CA -0.317 54.551 54.840 0.046 0.000 1.248 46 L CB 0.138 42.247 42.059 0.083 0.000 1.556 46 L HN 0.376 nan 8.230 nan 0.000 0.420 47 C N 0.314 119.618 119.300 0.006 0.000 2.782 47 C HA 0.666 5.126 4.460 -0.001 0.000 0.328 47 C C -0.672 174.273 174.990 -0.074 0.000 1.145 47 C CA -0.991 58.008 59.018 -0.032 0.000 1.358 47 C CB 1.231 28.978 27.740 0.012 0.000 1.841 47 C HN 0.679 nan 8.230 nan 0.000 0.477 48 C N 5.808 125.046 119.300 -0.103 0.000 2.535 48 C HA 0.747 5.207 4.460 -0.001 0.000 0.319 48 C C 0.277 175.231 174.990 -0.061 0.000 1.171 48 C CA -0.401 58.523 59.018 -0.155 0.000 1.394 48 C CB 0.903 28.502 27.740 -0.235 0.000 1.990 48 C HN 1.049 nan 8.230 nan 0.000 0.466 49 R N 2.629 123.154 120.500 0.042 0.000 2.690 49 R HA 0.210 4.550 4.340 -0.001 0.000 0.419 49 R C 0.726 177.145 176.300 0.198 0.000 1.090 49 R CA -0.185 55.968 56.100 0.089 0.000 1.064 49 R CB -0.114 30.228 30.300 0.070 0.000 1.391 49 R HN 0.824 nan 8.270 nan 0.000 0.586 50 H N -0.673 118.387 119.070 -0.018 0.000 2.556 50 H HA 0.023 4.579 4.556 -0.001 0.000 0.268 50 H C 0.977 176.299 175.328 -0.010 0.000 0.996 50 H CA 0.129 56.170 56.048 -0.011 0.000 1.157 50 H CB 0.316 30.073 29.762 -0.008 0.000 1.355 50 H HN 0.343 nan 8.280 nan 0.000 0.597 51 C N -1.996 117.365 119.300 0.101 0.000 3.323 51 C HA 0.325 4.785 4.460 -0.001 0.000 0.324 51 C C 1.075 176.080 174.990 0.025 0.000 1.428 51 C CA -1.040 58.007 59.018 0.048 0.000 1.368 51 C CB 0.638 28.402 27.740 0.039 0.000 1.731 51 C HN 0.216 nan 8.230 nan 0.000 0.455 52 L N 0.942 122.172 121.223 0.012 0.000 2.627 52 L HA 0.091 4.431 4.340 -0.001 0.000 0.233 52 L C 2.280 179.149 176.870 -0.003 0.000 1.144 52 L CA 0.576 55.418 54.840 0.003 0.000 0.892 52 L CB -0.588 41.471 42.059 -0.000 0.000 1.039 52 L HN 0.786 nan 8.230 nan 0.000 0.442 53 Q N 0.130 119.929 119.800 -0.003 0.000 2.389 53 Q HA 0.053 4.393 4.340 -0.001 0.000 0.204 53 Q C 1.455 177.444 176.000 -0.019 0.000 0.944 53 Q CA 0.419 56.216 55.803 -0.011 0.000 0.908 53 Q CB 0.170 28.901 28.738 -0.011 0.000 1.002 53 Q HN 0.539 nan 8.270 nan 0.000 0.493 54 G N 2.023 110.813 108.800 -0.017 0.000 2.553 54 G HA2 0.251 4.210 3.960 -0.001 0.000 0.278 54 G HA3 0.251 4.210 3.960 -0.001 0.000 0.278 54 G C -2.263 172.618 174.900 -0.031 0.000 1.349 54 G CA -0.872 44.210 45.100 -0.029 0.000 1.037 54 G HN 0.020 nan 8.290 nan 0.000 0.508 55 P HA 0.315 nan 4.420 nan 0.000 0.275 55 P C -0.709 176.536 177.300 -0.091 0.000 1.227 55 P CA -0.307 62.758 63.100 -0.059 0.000 0.781 55 P CB 0.946 32.607 31.700 -0.065 0.000 0.906 56 C N 3.651 122.892 119.300 -0.098 0.000 2.376 56 C HA 0.709 5.168 4.460 -0.001 0.000 0.335 56 C C 0.784 175.674 174.990 -0.167 0.000 1.229 56 C CA -0.314 58.631 59.018 -0.123 0.000 1.867 56 C CB 0.767 28.449 27.740 -0.096 0.000 2.319 56 C HN 0.716 nan 8.230 nan 0.000 0.515 57 R N 1.976 122.340 120.500 -0.227 0.000 2.799 57 R HA 0.873 5.212 4.340 -0.001 0.000 0.270 57 R C -1.985 174.205 176.300 -0.182 0.000 1.010 57 R CA -0.694 55.230 56.100 -0.293 0.000 0.916 57 R CB 1.180 31.024 30.300 -0.759 0.000 1.228 57 R HN 0.640 nan 8.270 nan 0.000 0.469 58 I N 1.683 122.232 120.570 -0.036 0.000 2.499 58 I HA 0.247 4.416 4.170 -0.001 0.000 0.288 58 I C -0.706 175.533 176.117 0.203 0.000 1.048 58 I CA -1.300 60.021 61.300 0.035 0.000 1.062 58 I CB 2.213 40.210 38.000 -0.004 0.000 1.238 58 I HN 0.543 nan 8.210 nan 0.000 0.426 59 N N 7.558 126.374 118.700 0.193 0.000 2.447 59 N HA 0.059 4.799 4.740 -0.001 0.000 0.263 59 N C -1.690 173.806 175.510 -0.023 0.000 1.226 59 N CA -0.988 52.183 53.050 0.202 0.000 0.906 59 N CB 0.908 39.485 38.487 0.149 0.000 1.060 59 N HN 0.339 nan 8.380 nan 0.000 0.468 60 P HA -0.054 nan 4.420 nan 0.000 0.216 60 P C -0.468 176.325 177.300 -0.846 0.000 1.153 60 P CA 1.495 64.300 63.100 -0.492 0.000 0.858 60 P CB 0.240 31.684 31.700 -0.427 0.000 0.789 61 F N -3.289 116.663 119.950 0.003 0.000 2.613 61 F HA 0.600 5.127 4.527 -0.000 0.000 0.310 61 F C 0.986 176.795 175.800 0.015 0.000 1.085 61 F CA -0.004 57.999 58.000 0.005 0.000 0.945 61 F CB 1.669 40.664 39.000 -0.008 0.000 1.298 61 F HN 0.051 nan 8.300 nan 0.000 0.455 62 G N 1.535 110.466 108.800 0.218 0.000 2.395 62 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.201 62 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.201 62 G C -1.267 173.686 174.900 0.088 0.000 1.206 62 G CA -0.474 44.704 45.100 0.129 0.000 1.210 62 G HN 0.537 nan 8.290 nan 0.000 0.557 63 D N 0.922 121.365 120.400 0.070 0.000 2.560 63 D HA 0.515 5.155 4.640 -0.001 0.000 0.277 63 D C 0.604 176.931 176.300 0.045 0.000 1.194 63 D CA -0.375 53.654 54.000 0.050 0.000 1.092 63 D CB 0.043 40.867 40.800 0.041 0.000 1.169 63 D HN 0.588 nan 8.370 nan 0.000 0.607 64 E N 0.961 121.180 120.200 0.030 0.000 2.418 64 E HA 0.167 4.517 4.350 -0.001 0.000 0.261 64 E C -1.917 174.697 176.600 0.023 0.000 1.070 64 E CA -0.984 55.428 56.400 0.019 0.000 0.931 64 E CB 0.052 29.756 29.700 0.007 0.000 0.954 64 E HN 0.191 nan 8.360 nan 0.000 0.439 65 P HA 0.090 nan 4.420 nan 0.000 0.279 65 P C -0.629 176.669 177.300 -0.002 0.000 1.239 65 P CA -0.059 63.033 63.100 -0.014 0.000 0.789 65 P CB 0.999 32.666 31.700 -0.054 0.000 0.933 66 K N 0.488 120.883 120.400 -0.009 0.000 2.380 66 K HA 0.305 4.624 4.320 -0.001 0.000 0.198 66 K C 0.242 176.829 176.600 -0.022 0.000 1.070 66 K CA -0.038 56.243 56.287 -0.010 0.000 1.040 66 K CB 1.077 33.575 32.500 -0.003 0.000 0.903 66 K HN 0.242 nan 8.250 nan 0.000 0.549 67 V N -0.019 119.879 119.914 -0.028 0.000 3.120 67 V HA 0.538 4.658 4.120 -0.001 0.000 0.303 67 V C -0.905 175.164 176.094 -0.042 0.000 1.238 67 V CA -0.840 61.441 62.300 -0.033 0.000 1.008 67 V CB 1.757 33.565 31.823 -0.024 0.000 1.064 67 V HN 0.231 nan 8.190 nan 0.000 0.434 68 G N 3.240 112.011 108.800 -0.048 0.000 2.636 68 G HA2 0.343 4.303 3.960 -0.001 0.000 0.246 68 G HA3 0.343 4.303 3.960 -0.001 0.000 0.246 68 G C 0.857 175.732 174.900 -0.042 0.000 1.216 68 G CA -0.015 45.052 45.100 -0.055 0.000 0.854 68 G HN 0.865 nan 8.290 nan 0.000 0.572 69 I N 0.384 120.929 120.570 -0.042 0.000 2.286 69 I HA -0.240 3.930 4.170 -0.001 0.000 0.248 69 I C 2.753 178.856 176.117 -0.023 0.000 1.115 69 I CA 1.633 62.914 61.300 -0.032 0.000 1.392 69 I CB -0.136 37.846 38.000 -0.031 0.000 1.065 69 I HN 0.655 nan 8.210 nan 0.000 0.418 70 C N -0.058 119.229 119.300 -0.023 0.000 2.539 70 C HA 0.453 4.913 4.460 -0.001 0.000 0.271 70 C C 1.786 176.766 174.990 -0.016 0.000 1.412 70 C CA -0.087 58.922 59.018 -0.015 0.000 1.729 70 C CB -0.982 26.752 27.740 -0.011 0.000 1.739 70 C HN 0.733 nan 8.230 nan 0.000 0.570 71 G N 0.013 108.800 108.800 -0.021 0.000 2.179 71 G HA2 0.133 4.093 3.960 -0.001 0.000 0.220 71 G HA3 0.133 4.093 3.960 -0.001 0.000 0.220 71 G C 0.222 175.108 174.900 -0.024 0.000 0.990 71 G CA 0.099 45.187 45.100 -0.019 0.000 0.646 71 G HN 1.506 nan 8.290 nan 0.000 0.517 72 A N 1.338 124.139 122.820 -0.032 0.000 2.524 72 A HA 0.601 4.920 4.320 -0.001 0.000 0.250 72 A C 1.157 178.716 177.584 -0.042 0.000 1.078 72 A CA 1.344 53.358 52.037 -0.040 0.000 0.761 72 A CB -0.054 18.912 19.000 -0.057 0.000 1.012 72 A HN 1.749 nan 8.150 nan 0.000 0.500 73 T N -0.011 114.521 114.554 -0.036 0.000 2.788 73 T HA 0.501 4.850 4.350 -0.001 0.000 0.280 73 T C 1.473 176.147 174.700 -0.044 0.000 0.984 73 T CA -0.064 62.015 62.100 -0.035 0.000 0.972 73 T CB 0.973 69.825 68.868 -0.027 0.000 1.039 73 T HN 1.144 nan 8.240 nan 0.000 0.530 74 A N 0.536 123.329 122.820 -0.044 0.000 1.940 74 A HA -0.126 4.193 4.320 -0.001 0.000 0.219 74 A C 2.322 179.877 177.584 -0.048 0.000 1.176 74 A CA 1.834 53.840 52.037 -0.051 0.000 0.631 74 A CB -1.102 17.862 19.000 -0.059 0.000 0.814 74 A HN 1.022 nan 8.150 nan 0.000 0.446 75 E N -0.312 119.865 120.200 -0.039 0.000 2.106 75 E HA -0.098 4.252 4.350 -0.001 0.000 0.192 75 E C 1.733 178.314 176.600 -0.032 0.000 0.984 75 E CA 1.401 57.782 56.400 -0.032 0.000 0.806 75 E CB -0.520 29.167 29.700 -0.022 0.000 0.750 75 E HN 0.285 nan 8.360 nan 0.000 0.458 76 V N 1.818 121.711 119.914 -0.034 0.000 2.307 76 V HA -0.238 3.882 4.120 -0.001 0.000 0.245 76 V C 2.486 178.547 176.094 -0.056 0.000 1.045 76 V CA 1.634 63.912 62.300 -0.037 0.000 1.024 76 V CB -0.407 31.395 31.823 -0.035 0.000 0.651 76 V HN 0.286 nan 8.190 nan 0.000 0.449 77 I N -0.457 120.067 120.570 -0.075 0.000 2.226 77 I HA -0.219 3.951 4.170 -0.001 0.000 0.245 77 I C 2.386 178.450 176.117 -0.089 0.000 1.100 77 I CA 1.287 62.519 61.300 -0.113 0.000 1.374 77 I CB -0.362 37.572 38.000 -0.111 0.000 1.057 77 I HN 0.146 nan 8.210 nan 0.000 0.413 78 V N 0.928 120.805 119.914 -0.061 0.000 2.343 78 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 78 V C 2.657 178.730 176.094 -0.035 0.000 1.051 78 V CA 2.024 64.295 62.300 -0.048 0.000 1.036 78 V CB -0.872 30.923 31.823 -0.047 0.000 0.654 78 V HN 0.498 nan 8.190 nan 0.000 0.451 79 A N -0.279 122.525 122.820 -0.027 0.000 1.930 79 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 79 A C 2.365 179.952 177.584 0.006 0.000 1.175 79 A CA 1.477 53.509 52.037 -0.009 0.000 0.627 79 A CB -0.419 18.579 19.000 -0.004 0.000 0.815 79 A HN 0.506 nan 8.150 nan 0.000 0.443 80 R N -0.881 119.620 120.500 0.001 0.000 2.075 80 R HA -0.076 4.264 4.340 -0.001 0.000 0.232 80 R C 2.420 178.775 176.300 0.091 0.000 1.126 80 R CA 1.101 57.231 56.100 0.050 0.000 0.963 80 R CB -0.619 29.700 30.300 0.032 0.000 0.858 80 R HN 0.516 nan 8.270 nan 0.000 0.435 81 G N 1.509 110.330 108.800 0.036 0.000 2.418 81 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.217 81 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.217 81 G C 1.366 176.290 174.900 0.039 0.000 1.158 81 G CA 0.361 45.499 45.100 0.064 0.000 0.771 81 G HN 0.164 nan 8.290 nan 0.000 0.545 82 L N 0.815 122.045 121.223 0.011 0.000 2.046 82 L HA -0.006 4.333 4.340 -0.001 0.000 0.208 82 L C 2.118 179.003 176.870 0.025 0.000 1.077 82 L CA 2.136 56.977 54.840 0.001 0.000 0.747 82 L CB -0.475 41.573 42.059 -0.017 0.000 0.896 82 L HN 0.065 nan 8.230 nan 0.000 0.432 83 D N -0.548 119.874 120.400 0.038 0.000 2.117 83 D HA -0.154 4.486 4.640 -0.001 0.000 0.197 83 D C 2.340 178.667 176.300 0.044 0.000 0.987 83 D CA 1.103 55.131 54.000 0.046 0.000 0.829 83 D CB -0.064 40.764 40.800 0.045 0.000 0.961 83 D HN 0.332 nan 8.370 nan 0.000 0.460 84 R N 0.253 120.782 120.500 0.048 0.000 2.120 84 R HA -0.029 4.311 4.340 -0.001 0.000 0.234 84 R C 2.322 178.633 176.300 0.017 0.000 1.123 84 R CA 1.047 57.164 56.100 0.027 0.000 0.975 84 R CB -0.141 30.173 30.300 0.023 0.000 0.866 84 R HN 0.077 nan 8.270 nan 0.000 0.446 85 S N 1.065 116.775 115.700 0.017 0.000 2.383 85 S HA -0.082 4.388 4.470 -0.001 0.000 0.227 85 S C 1.978 176.595 174.600 0.029 0.000 1.026 85 S CA 0.998 59.201 58.200 0.005 0.000 0.981 85 S CB -0.148 63.046 63.200 -0.011 0.000 0.818 85 S HN 0.218 nan 8.310 nan 0.000 0.472 86 I N 1.843 122.442 120.570 0.048 0.000 2.226 86 I HA -0.203 3.966 4.170 -0.001 0.000 0.245 86 I C 2.713 178.879 176.117 0.082 0.000 1.100 86 I CA 1.114 62.463 61.300 0.081 0.000 1.374 86 I CB -0.480 37.577 38.000 0.094 0.000 1.057 86 I HN 0.271 nan 8.210 nan 0.000 0.413 87 A N 0.708 123.563 122.820 0.058 0.000 1.902 87 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 87 A C 2.547 180.157 177.584 0.043 0.000 1.181 87 A CA 1.774 53.842 52.037 0.052 0.000 0.623 87 A CB -0.813 18.206 19.000 0.032 0.000 0.818 87 A HN 0.423 nan 8.150 nan 0.000 0.443 88 A N -0.415 122.421 122.820 0.026 0.000 1.902 88 A HA 0.113 4.433 4.320 -0.001 0.000 0.217 88 A C 2.413 180.013 177.584 0.027 0.000 1.181 88 A CA 1.953 53.998 52.037 0.013 0.000 0.623 88 A CB -1.391 17.602 19.000 -0.013 0.000 0.818 88 A HN 0.716 nan 8.150 nan 0.000 0.443 89 G N -0.496 108.333 108.800 0.049 0.000 2.421 89 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.216 89 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.216 89 G C 1.759 176.682 174.900 0.039 0.000 1.171 89 G CA 1.471 46.596 45.100 0.042 0.000 0.775 89 G HN 0.822 nan 8.290 nan 0.000 0.543 90 A N 1.125 124.017 122.820 0.120 0.000 1.940 90 A HA 0.237 4.557 4.320 -0.001 0.000 0.219 90 A C 2.787 180.438 177.584 0.112 0.000 1.176 90 A CA 2.256 54.386 52.037 0.155 0.000 0.631 90 A CB -0.701 18.380 19.000 0.135 0.000 0.814 90 A HN 0.803 nan 8.150 nan 0.000 0.446 91 A N -0.580 122.279 122.820 0.065 0.000 1.930 91 A HA 0.165 4.484 4.320 -0.001 0.000 0.217 91 A C 2.344 179.932 177.584 0.007 0.000 1.175 91 A CA 1.838 53.904 52.037 0.049 0.000 0.627 91 A CB -1.197 17.815 19.000 0.019 0.000 0.815 91 A HN 0.660 nan 8.150 nan 0.000 0.443 92 G N -1.151 107.616 108.800 -0.054 0.000 2.404 92 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.214 92 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.214 92 G C 1.412 176.274 174.900 -0.064 0.000 1.189 92 G CA 1.113 46.127 45.100 -0.143 0.000 0.789 92 G HN 0.728 nan 8.290 nan 0.000 0.533 93 H N 0.445 119.537 119.070 0.036 0.000 2.389 93 H HA -0.048 4.507 4.556 -0.000 0.000 0.299 93 H C 2.958 178.333 175.328 0.078 0.000 1.081 93 H CA 1.408 57.475 56.048 0.031 0.000 1.345 93 H CB 0.259 30.047 29.762 0.044 0.000 1.393 93 H HN 0.537 nan 8.280 nan 0.000 0.520 94 S N -0.230 115.618 115.700 0.245 0.000 2.461 94 S HA -0.021 4.448 4.470 -0.001 0.000 0.228 94 S C 2.352 177.151 174.600 0.331 0.000 1.005 94 S CA 0.520 58.898 58.200 0.297 0.000 0.942 94 S CB -0.288 63.087 63.200 0.291 0.000 0.776 94 S HN 0.458 nan 8.310 nan 0.000 0.514 95 G N 1.330 110.232 108.800 0.170 0.000 2.421 95 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.216 95 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.216 95 G C 1.251 176.242 174.900 0.151 0.000 1.171 95 G CA 1.041 46.167 45.100 0.044 0.000 0.775 95 G HN 0.772 nan 8.290 nan 0.000 0.543 96 H N 0.703 119.838 119.070 0.108 0.000 2.290 96 H HA -0.001 4.554 4.556 -0.001 0.000 0.298 96 H C 2.781 178.266 175.328 0.262 0.000 1.087 96 H CA 1.600 57.834 56.048 0.311 0.000 1.291 96 H CB -0.059 29.905 29.762 0.337 0.000 1.369 96 H HN 0.320 nan 8.280 nan 0.000 0.492 97 A N 1.058 124.139 122.820 0.436 0.000 1.902 97 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 97 A C 2.339 180.046 177.584 0.206 0.000 1.181 97 A CA 1.718 53.923 52.037 0.280 0.000 0.623 97 A CB -0.646 18.454 19.000 0.167 0.000 0.818 97 A HN 0.546 nan 8.150 nan 0.000 0.443 98 K N -1.257 119.251 120.400 0.179 0.000 2.057 98 K HA -0.276 4.043 4.320 -0.001 0.000 0.207 98 K C 2.087 178.742 176.600 0.092 0.000 1.049 98 K CA 1.804 58.033 56.287 -0.096 0.000 0.931 98 K CB -0.342 31.902 32.500 -0.425 0.000 0.714 98 K HN 0.604 nan 8.250 nan 0.000 0.440 99 H N 1.081 120.217 119.070 0.110 0.000 2.319 99 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 99 H C 1.905 177.301 175.328 0.113 0.000 1.092 99 H CA 1.945 58.088 56.048 0.158 0.000 1.302 99 H CB -0.414 29.467 29.762 0.198 0.000 1.373 99 H HN 0.172 nan 8.280 nan 0.000 0.497 100 L N -0.362 120.915 121.223 0.090 0.000 2.083 100 L HA -0.133 4.206 4.340 -0.001 0.000 0.209 100 L C 2.882 179.734 176.870 -0.031 0.000 1.083 100 L CA 1.048 55.881 54.840 -0.013 0.000 0.752 100 L CB -0.631 41.471 42.059 0.072 0.000 0.899 100 L HN 0.377 nan 8.230 nan 0.000 0.433 101 A N -0.851 121.941 122.820 -0.045 0.000 1.902 101 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 101 A C 2.143 179.653 177.584 -0.124 0.000 1.181 101 A CA 1.485 53.448 52.037 -0.123 0.000 0.623 101 A CB -0.756 18.123 19.000 -0.201 0.000 0.818 101 A HN 0.419 nan 8.150 nan 0.000 0.443 102 H N -0.373 118.690 119.070 -0.012 0.000 2.387 102 H HA -0.074 4.482 4.556 -0.001 0.000 0.299 102 H C 2.277 177.580 175.328 -0.041 0.000 1.090 102 H CA 1.868 57.909 56.048 -0.011 0.000 1.332 102 H CB -0.581 29.191 29.762 0.016 0.000 1.386 102 H HN 0.469 nan 8.280 nan 0.000 0.516 103 T N 1.685 116.251 114.554 0.021 0.000 2.777 103 T HA -0.107 4.242 4.350 -0.001 0.000 0.266 103 T C 2.218 176.835 174.700 -0.138 0.000 1.040 103 T CA 0.832 62.839 62.100 -0.154 0.000 1.141 103 T CB -0.405 68.259 68.868 -0.340 0.000 0.868 103 T HN 0.080 nan 8.240 nan 0.000 0.444 104 L N 1.593 122.756 121.223 -0.100 0.000 2.042 104 L HA -0.009 4.331 4.340 -0.001 0.000 0.210 104 L C 2.337 179.194 176.870 -0.022 0.000 1.076 104 L CA 1.872 56.672 54.840 -0.066 0.000 0.749 104 L CB -0.566 41.460 42.059 -0.055 0.000 0.893 104 L HN 0.079 nan 8.230 nan 0.000 0.432 105 K N -0.392 120.004 120.400 -0.006 0.000 2.026 105 K HA -0.232 4.088 4.320 -0.001 0.000 0.208 105 K C 2.173 178.789 176.600 0.028 0.000 1.048 105 K CA 1.790 58.090 56.287 0.020 0.000 0.929 105 K CB -0.079 32.445 32.500 0.040 0.000 0.713 105 K HN 0.336 nan 8.250 nan 0.000 0.439 106 K N 0.083 120.500 120.400 0.027 0.000 2.063 106 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 106 K C 2.165 178.785 176.600 0.035 0.000 1.048 106 K CA 1.337 57.641 56.287 0.028 0.000 0.928 106 K CB -0.185 32.325 32.500 0.016 0.000 0.713 106 K HN 0.217 nan 8.250 nan 0.000 0.442 107 A N 1.149 123.987 122.820 0.031 0.000 1.883 107 A HA -0.147 4.173 4.320 -0.001 0.000 0.217 107 A C 2.314 179.927 177.584 0.049 0.000 1.186 107 A CA 2.038 54.115 52.037 0.067 0.000 0.624 107 A CB -0.776 18.270 19.000 0.077 0.000 0.822 107 A HN 0.228 nan 8.150 nan 0.000 0.444 108 V N -3.043 116.891 119.914 0.032 0.000 3.306 108 V HA -0.018 4.102 4.120 -0.001 0.000 0.264 108 V C 1.537 177.647 176.094 0.028 0.000 1.149 108 V CA 1.500 63.817 62.300 0.029 0.000 1.143 108 V CB -0.769 31.067 31.823 0.022 0.000 0.767 108 V HN 0.573 nan 8.190 nan 0.000 0.476 109 Q N 1.154 120.972 119.800 0.029 0.000 2.403 109 Q HA 0.337 4.677 4.340 -0.001 0.000 0.203 109 Q C 1.703 177.719 176.000 0.027 0.000 0.932 109 Q CA 0.549 56.368 55.803 0.027 0.000 0.945 109 Q CB 0.363 29.118 28.738 0.028 0.000 1.045 109 Q HN 0.901 nan 8.270 nan 0.000 0.511 110 G N 1.277 110.096 108.800 0.031 0.000 2.159 110 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.256 110 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.256 110 G C 0.729 175.648 174.900 0.033 0.000 0.977 110 G CA 0.564 45.682 45.100 0.031 0.000 0.652 110 G HN 0.303 nan 8.290 nan 0.000 0.531 111 K N -0.018 120.404 120.400 0.037 0.000 2.426 111 K HA 0.556 4.876 4.320 -0.001 0.000 0.193 111 K C 1.034 177.663 176.600 0.049 0.000 1.028 111 K CA 0.883 57.190 56.287 0.034 0.000 1.047 111 K CB 0.471 32.987 32.500 0.027 0.000 0.821 111 K HN 0.848 nan 8.250 nan 0.000 0.513 112 A N 0.127 122.994 122.820 0.079 0.000 3.124 112 A HA 0.505 4.825 4.320 -0.001 0.000 0.295 112 A C 0.250 177.938 177.584 0.173 0.000 1.199 112 A CA -0.469 51.655 52.037 0.145 0.000 0.845 112 A CB 0.496 19.613 19.000 0.196 0.000 1.381 112 A HN 0.104 nan 8.150 nan 0.000 0.537 113 A N 0.143 123.015 122.820 0.088 0.000 2.209 113 A HA 0.116 4.436 4.320 -0.001 0.000 0.212 113 A C 1.886 179.478 177.584 0.014 0.000 1.158 113 A CA 1.820 53.888 52.037 0.052 0.000 0.742 113 A CB -0.142 18.872 19.000 0.023 0.000 0.790 113 A HN 0.745 nan 8.150 nan 0.000 0.472 114 S N -1.444 114.240 115.700 -0.027 0.000 2.561 114 S HA 0.160 4.630 4.470 -0.001 0.000 0.225 114 S C -0.223 174.153 174.600 -0.373 0.000 0.977 114 S CA 0.264 58.334 58.200 -0.216 0.000 0.926 114 S CB -0.262 62.718 63.200 -0.367 0.000 0.769 114 S HN 0.575 nan 8.310 nan 0.000 0.533 115 Y N 0.995 121.329 120.300 0.057 0.000 2.509 115 Y HA 0.686 5.236 4.550 -0.000 0.000 0.341 115 Y C 0.144 176.045 175.900 0.001 0.000 1.038 115 Y CA -1.172 56.955 58.100 0.044 0.000 1.089 115 Y CB 1.275 39.757 38.460 0.036 0.000 1.241 115 Y HN 0.067 nan 8.280 nan 0.000 0.468 116 M N 0.504 120.175 119.600 0.120 0.000 2.949 116 M HA 0.546 5.026 4.480 -0.001 0.000 0.270 116 M C -2.040 174.262 176.300 0.004 0.000 1.221 116 M CA -0.867 54.464 55.300 0.051 0.000 0.818 116 M CB 1.840 34.462 32.600 0.038 0.000 1.635 116 M HN 0.488 nan 8.290 nan 0.000 0.492 117 I N 2.487 123.063 120.570 0.010 0.000 2.389 117 I HA 0.129 4.298 4.170 -0.001 0.000 0.295 117 I C 0.885 177.007 176.117 0.008 0.000 1.117 117 I CA 0.004 61.306 61.300 0.003 0.000 1.317 117 I CB 0.341 38.358 38.000 0.028 0.000 1.431 117 I HN 0.692 nan 8.210 nan 0.000 0.521 118 K N 2.878 123.274 120.400 -0.006 0.000 2.166 118 K HA 0.008 4.328 4.320 -0.001 0.000 0.201 118 K C 0.417 177.029 176.600 0.021 0.000 1.052 118 K CA 0.634 56.931 56.287 0.018 0.000 0.969 118 K CB 0.222 32.744 32.500 0.037 0.000 0.761 118 K HN 0.473 nan 8.250 nan 0.000 0.459 119 D N 1.123 121.534 120.400 0.019 0.000 2.479 119 D HA 0.073 4.713 4.640 -0.001 0.000 0.247 119 D C 0.564 176.891 176.300 0.044 0.000 1.119 119 D CA -0.095 53.922 54.000 0.028 0.000 0.922 119 D CB 0.730 41.548 40.800 0.030 0.000 1.014 119 D HN -0.033 nan 8.370 nan 0.000 0.510 120 R N 1.656 122.179 120.500 0.039 0.000 2.092 120 R HA -0.101 4.239 4.340 -0.001 0.000 0.231 120 R C 1.269 177.610 176.300 0.068 0.000 1.119 120 R CA 1.416 57.555 56.100 0.066 0.000 0.970 120 R CB 0.228 30.532 30.300 0.007 0.000 0.864 120 R HN 0.252 nan 8.270 nan 0.000 0.440 121 T N 0.795 115.354 114.554 0.008 0.000 2.708 121 T HA -0.170 4.180 4.350 -0.001 0.000 0.266 121 T C 1.662 176.406 174.700 0.072 0.000 1.037 121 T CA 1.807 63.910 62.100 0.005 0.000 1.146 121 T CB -0.136 68.728 68.868 -0.007 0.000 0.865 121 T HN 0.252 nan 8.240 nan 0.000 0.435 122 K N 0.712 121.154 120.400 0.071 0.000 2.097 122 K HA 0.003 4.323 4.320 -0.001 0.000 0.205 122 K C 2.127 178.792 176.600 0.110 0.000 1.050 122 K CA 0.700 57.037 56.287 0.084 0.000 0.938 122 K CB -0.480 32.062 32.500 0.071 0.000 0.718 122 K HN 0.175 nan 8.250 nan 0.000 0.442 123 L N 0.854 122.152 121.223 0.126 0.000 2.012 123 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 123 L C 1.991 178.928 176.870 0.112 0.000 1.073 123 L CA 1.993 56.907 54.840 0.123 0.000 0.748 123 L CB -0.674 41.465 42.059 0.134 0.000 0.891 123 L HN 0.384 nan 8.230 nan 0.000 0.431 124 H N -1.032 118.049 119.070 0.019 0.000 2.389 124 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 124 H C 2.340 177.669 175.328 0.002 0.000 1.081 124 H CA 1.391 57.444 56.048 0.009 0.000 1.345 124 H CB 0.038 29.804 29.762 0.006 0.000 1.393 124 H HN 0.594 nan 8.280 nan 0.000 0.520 125 S N 0.779 116.557 115.700 0.130 0.000 2.383 125 S HA -0.099 4.371 4.470 -0.001 0.000 0.227 125 S C 2.199 176.811 174.600 0.020 0.000 1.026 125 S CA 0.744 58.981 58.200 0.062 0.000 0.981 125 S CB -0.614 62.621 63.200 0.058 0.000 0.818 125 S HN 0.260 nan 8.310 nan 0.000 0.472 126 I N 2.496 123.087 120.570 0.035 0.000 2.202 126 I HA -0.132 4.038 4.170 -0.001 0.000 0.242 126 I C 3.083 179.158 176.117 -0.071 0.000 1.091 126 I CA 1.063 62.360 61.300 -0.005 0.000 1.368 126 I CB -0.721 37.335 38.000 0.093 0.000 1.058 126 I HN 0.394 nan 8.210 nan 0.000 0.410 127 A N 0.905 123.699 122.820 -0.044 0.000 1.873 127 A HA -0.314 4.006 4.320 -0.001 0.000 0.218 127 A C 2.395 179.924 177.584 -0.092 0.000 1.193 127 A CA 2.303 54.291 52.037 -0.081 0.000 0.629 127 A CB -0.673 18.259 19.000 -0.113 0.000 0.826 127 A HN 0.389 nan 8.150 nan 0.000 0.447 128 K N -0.627 119.735 120.400 -0.063 0.000 2.097 128 K HA -0.172 4.148 4.320 -0.001 0.000 0.206 128 K C 2.315 178.860 176.600 -0.092 0.000 1.049 128 K CA 1.532 57.783 56.287 -0.059 0.000 0.933 128 K CB -0.191 32.295 32.500 -0.023 0.000 0.717 128 K HN 0.446 nan 8.250 nan 0.000 0.442 129 R N 0.481 120.910 120.500 -0.118 0.000 2.115 129 R HA -0.037 4.303 4.340 -0.001 0.000 0.230 129 R C 2.043 178.204 176.300 -0.231 0.000 1.111 129 R CA 0.991 56.990 56.100 -0.168 0.000 0.976 129 R CB -0.049 30.131 30.300 -0.199 0.000 0.870 129 R HN 0.250 nan 8.270 nan 0.000 0.445 130 L N -0.828 120.240 121.223 -0.258 0.000 2.418 130 L HA 0.145 4.485 4.340 -0.001 0.000 0.218 130 L C 1.158 177.919 176.870 -0.182 0.000 1.125 130 L CA 0.704 55.369 54.840 -0.292 0.000 0.835 130 L CB 0.238 42.102 42.059 -0.324 0.000 0.953 130 L HN 0.575 nan 8.230 nan 0.000 0.454 131 G N 0.741 109.459 108.800 -0.136 0.000 2.131 131 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.223 131 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.223 131 G C 0.117 174.971 174.900 -0.077 0.000 0.990 131 G CA -0.394 44.648 45.100 -0.096 0.000 0.671 131 G HN 0.239 nan 8.290 nan 0.000 0.521 132 I N 2.021 122.542 120.570 -0.081 0.000 2.371 132 I HA 0.286 4.456 4.170 -0.001 0.000 0.290 132 I C -1.700 174.379 176.117 -0.063 0.000 1.028 132 I CA -2.202 59.059 61.300 -0.065 0.000 1.345 132 I CB 1.197 39.158 38.000 -0.065 0.000 1.407 132 I HN -0.109 nan 8.210 nan 0.000 0.501 133 P HA 0.084 nan 4.420 nan 0.000 0.271 133 P C 0.457 177.720 177.300 -0.061 0.000 1.216 133 P CA -0.144 62.929 63.100 -0.044 0.000 0.776 133 P CB 0.716 32.398 31.700 -0.030 0.000 0.881 134 T N -2.241 112.281 114.554 -0.054 0.000 2.964 134 T HA 0.022 4.371 4.350 -0.001 0.000 0.249 134 T C 0.489 175.188 174.700 -0.002 0.000 1.000 134 T CA -0.271 61.782 62.100 -0.077 0.000 0.992 134 T CB -0.318 68.491 68.868 -0.098 0.000 1.087 134 T HN 0.429 nan 8.240 nan 0.000 0.489 135 E N 2.573 122.781 120.200 0.014 0.000 2.493 135 E HA 0.294 4.644 4.350 -0.001 0.000 0.255 135 E C 1.167 177.779 176.600 0.019 0.000 0.999 135 E CA 0.617 57.033 56.400 0.027 0.000 0.934 135 E CB -0.086 29.623 29.700 0.016 0.000 0.940 135 E HN 0.623 nan 8.360 nan 0.000 0.473 136 G N 3.024 111.841 108.800 0.029 0.000 2.184 136 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.264 136 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.264 136 G C -0.015 174.896 174.900 0.019 0.000 0.975 136 G CA 0.345 45.458 45.100 0.021 0.000 0.642 136 G HN 0.556 nan 8.290 nan 0.000 0.536 137 Q N 0.222 120.033 119.800 0.019 0.000 2.235 137 Q HA 0.477 4.816 4.340 -0.001 0.000 0.256 137 Q C 0.368 176.381 176.000 0.021 0.000 0.951 137 Q CA -0.520 55.287 55.803 0.006 0.000 0.890 137 Q CB 1.319 30.043 28.738 -0.023 0.000 1.279 137 Q HN 0.422 nan 8.270 nan 0.000 0.444 138 K N 1.469 121.879 120.400 0.018 0.000 2.382 138 K HA -0.018 4.301 4.320 -0.001 0.000 0.275 138 K C 0.421 177.038 176.600 0.028 0.000 1.009 138 K CA -0.221 56.083 56.287 0.028 0.000 0.970 138 K CB 0.568 33.081 32.500 0.021 0.000 0.934 138 K HN 0.423 nan 8.250 nan 0.000 0.479 139 D N 2.668 123.104 120.400 0.059 0.000 2.149 139 D HA -0.155 4.485 4.640 -0.001 0.000 0.198 139 D C 1.259 177.576 176.300 0.028 0.000 0.990 139 D CA 1.530 55.571 54.000 0.069 0.000 0.839 139 D CB 0.235 41.104 40.800 0.114 0.000 0.948 139 D HN 0.509 nan 8.370 nan 0.000 0.460 140 E N 0.436 120.652 120.200 0.027 0.000 2.150 140 E HA -0.107 4.243 4.350 -0.001 0.000 0.193 140 E C 1.555 178.161 176.600 0.010 0.000 0.985 140 E CA 0.800 57.212 56.400 0.020 0.000 0.814 140 E CB 0.025 29.738 29.700 0.022 0.000 0.752 140 E HN 0.241 nan 8.360 nan 0.000 0.466 141 D N -0.092 120.310 120.400 0.004 0.000 2.123 141 D HA -0.053 4.587 4.640 -0.001 0.000 0.200 141 D C 1.943 178.233 176.300 -0.016 0.000 0.976 141 D CA 0.649 54.647 54.000 -0.002 0.000 0.831 141 D CB -0.085 40.713 40.800 -0.003 0.000 0.974 141 D HN 0.190 nan 8.370 nan 0.000 0.469 142 I N 1.401 121.947 120.570 -0.041 0.000 2.163 142 I HA -0.270 3.900 4.170 -0.001 0.000 0.243 142 I C 2.491 178.584 176.117 -0.040 0.000 1.085 142 I CA 1.203 62.457 61.300 -0.077 0.000 1.347 142 I CB -0.231 37.657 38.000 -0.187 0.000 1.044 142 I HN -0.082 nan 8.210 nan 0.000 0.408 143 A N 0.474 123.282 122.820 -0.019 0.000 1.933 143 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 143 A C 2.258 179.852 177.584 0.017 0.000 1.175 143 A CA 1.407 53.448 52.037 0.007 0.000 0.628 143 A CB -0.763 18.245 19.000 0.013 0.000 0.814 143 A HN 0.382 nan 8.150 nan 0.000 0.444 144 L N -0.264 120.967 121.223 0.013 0.000 2.046 144 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 144 L C 2.200 179.086 176.870 0.026 0.000 1.077 144 L CA 2.097 56.949 54.840 0.020 0.000 0.747 144 L CB -0.410 41.659 42.059 0.018 0.000 0.896 144 L HN 0.330 nan 8.230 nan 0.000 0.432 145 E N -0.749 119.462 120.200 0.019 0.000 2.106 145 E HA -0.124 4.225 4.350 -0.001 0.000 0.192 145 E C 2.343 178.975 176.600 0.053 0.000 0.984 145 E CA 1.317 57.732 56.400 0.025 0.000 0.806 145 E CB -0.433 29.268 29.700 0.002 0.000 0.750 145 E HN 0.403 nan 8.360 nan 0.000 0.458 146 V N 1.549 121.500 119.914 0.062 0.000 2.358 146 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 146 V C 2.415 178.608 176.094 0.165 0.000 1.047 146 V CA 1.756 64.140 62.300 0.139 0.000 1.035 146 V CB -0.782 31.118 31.823 0.129 0.000 0.658 146 V HN 0.235 nan 8.190 nan 0.000 0.452 147 A N -0.442 122.428 122.820 0.083 0.000 1.930 147 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 147 A C 2.292 179.898 177.584 0.037 0.000 1.175 147 A CA 1.798 53.856 52.037 0.035 0.000 0.627 147 A CB -0.399 18.602 19.000 0.002 0.000 0.815 147 A HN 0.526 nan 8.150 nan 0.000 0.443 148 K N -0.343 120.091 120.400 0.057 0.000 2.057 148 K HA -0.064 4.256 4.320 -0.001 0.000 0.207 148 K C 2.277 178.939 176.600 0.103 0.000 1.049 148 K CA 1.107 57.434 56.287 0.068 0.000 0.931 148 K CB -0.293 32.244 32.500 0.062 0.000 0.714 148 K HN 0.445 nan 8.250 nan 0.000 0.440 149 A N 1.409 124.315 122.820 0.143 0.000 1.930 149 A HA -0.083 4.237 4.320 -0.001 0.000 0.217 149 A C 2.336 180.107 177.584 0.311 0.000 1.175 149 A CA 1.690 53.852 52.037 0.208 0.000 0.627 149 A CB -0.576 18.556 19.000 0.221 0.000 0.815 149 A HN 0.328 nan 8.150 nan 0.000 0.443 150 A N -0.013 122.952 122.820 0.242 0.000 1.858 150 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 150 A C 2.148 179.797 177.584 0.109 0.000 1.190 150 A CA 1.577 53.570 52.037 -0.074 0.000 0.617 150 A CB -0.688 18.155 19.000 -0.260 0.000 0.827 150 A HN 0.467 nan 8.150 nan 0.000 0.443 151 L N -0.799 120.493 121.223 0.115 0.000 2.131 151 L HA -0.167 4.173 4.340 -0.001 0.000 0.210 151 L C 2.996 180.012 176.870 0.244 0.000 1.092 151 L CA 0.887 55.840 54.840 0.188 0.000 0.759 151 L CB -0.467 41.595 42.059 0.006 0.000 0.903 151 L HN 0.446 nan 8.230 nan 0.000 0.435 152 A N -0.588 122.289 122.820 0.095 0.000 2.015 152 A HA -0.207 4.113 4.320 -0.001 0.000 0.219 152 A C 1.789 179.151 177.584 -0.370 0.000 1.163 152 A CA 1.624 53.561 52.037 -0.167 0.000 0.646 152 A CB -0.398 18.583 19.000 -0.032 0.000 0.806 152 A HN 0.289 nan 8.150 nan 0.000 0.448 153 D N -1.208 119.119 120.400 -0.123 0.000 2.378 153 D HA -0.015 4.625 4.640 -0.001 0.000 0.222 153 D C 0.946 177.051 176.300 -0.326 0.000 0.980 153 D CA 0.617 54.497 54.000 -0.200 0.000 0.907 153 D CB -0.303 40.427 40.800 -0.117 0.000 0.899 153 D HN 0.538 nan 8.370 nan 0.000 0.527 154 F N -0.409 119.457 119.950 -0.140 0.000 2.558 154 F HA 0.052 4.578 4.527 -0.001 0.000 0.298 154 F C 0.968 176.801 175.800 0.056 0.000 1.119 154 F CA 0.309 58.301 58.000 -0.014 0.000 1.451 154 F CB 0.020 39.050 39.000 0.050 0.000 1.091 154 F HN 0.052 nan 8.300 nan 0.000 0.563 155 H N -2.998 116.174 119.070 0.170 0.000 2.907 155 H HA 0.518 5.073 4.556 -0.000 0.000 0.361 155 H C -0.666 174.676 175.328 0.024 0.000 1.194 155 H CA -1.544 54.575 56.048 0.117 0.000 1.152 155 H CB 0.217 30.048 29.762 0.114 0.000 1.867 155 H HN -0.089 nan 8.280 nan 0.000 0.561 156 E N 0.666 120.945 120.200 0.132 0.000 2.415 156 E HA 0.237 4.587 4.350 -0.001 0.000 0.262 156 E C -0.319 176.364 176.600 0.140 0.000 1.038 156 E CA -0.035 56.359 56.400 -0.010 0.000 0.921 156 E CB 0.699 30.312 29.700 -0.144 0.000 0.950 156 E HN 0.725 nan 8.360 nan 0.000 0.438 157 K N 0.537 120.958 120.400 0.035 0.000 2.491 157 K HA 0.227 4.547 4.320 -0.001 0.000 0.275 157 K C -0.698 175.907 176.600 0.008 0.000 0.982 157 K CA -0.841 55.481 56.287 0.059 0.000 0.794 157 K CB 0.377 32.916 32.500 0.065 0.000 1.488 157 K HN 0.111 nan 8.250 nan 0.000 0.360 158 D N 1.065 121.470 120.400 0.008 0.000 2.349 158 D HA 0.002 4.642 4.640 -0.001 0.000 0.224 158 D C -0.008 176.281 176.300 -0.020 0.000 1.029 158 D CA 0.869 54.866 54.000 -0.006 0.000 0.879 158 D CB 0.329 41.128 40.800 -0.001 0.000 0.906 158 D HN 0.609 nan 8.370 nan 0.000 0.528 159 T N -1.531 113.006 114.554 -0.028 0.000 2.924 159 T HA 0.507 4.857 4.350 -0.001 0.000 0.291 159 T C -2.750 171.920 174.700 -0.050 0.000 1.045 159 T CA -1.816 60.260 62.100 -0.041 0.000 1.015 159 T CB 2.976 71.815 68.868 -0.049 0.000 1.103 159 T HN -0.271 nan 8.240 nan 0.000 0.496 160 P HA 0.247 nan 4.420 nan 0.000 0.286 160 P C -0.243 177.019 177.300 -0.063 0.000 1.293 160 P CA -0.528 62.540 63.100 -0.054 0.000 0.770 160 P CB 0.368 32.039 31.700 -0.048 0.000 1.206 161 V N 1.595 121.473 119.914 -0.059 0.000 2.425 161 V HA -0.063 4.056 4.120 -0.001 0.000 0.276 161 V C 2.008 178.067 176.094 -0.058 0.000 1.017 161 V CA 0.531 62.798 62.300 -0.056 0.000 1.062 161 V CB -0.730 31.055 31.823 -0.064 0.000 0.997 161 V HN 0.392 nan 8.190 nan 0.000 0.476 162 L N 4.420 125.613 121.223 -0.051 0.000 2.217 162 L HA -0.036 4.303 4.340 -0.001 0.000 0.211 162 L C 1.812 178.531 176.870 -0.251 0.000 1.107 162 L CA 1.129 55.868 54.840 -0.168 0.000 0.783 162 L CB -0.132 41.786 42.059 -0.236 0.000 0.919 162 L HN 0.674 nan 8.230 nan 0.000 0.442 163 W N -0.258 120.908 121.300 -0.223 0.000 3.204 163 W HA 0.035 4.694 4.660 -0.001 0.000 0.249 163 W C 1.482 177.809 176.519 -0.320 0.000 1.322 163 W CA 0.293 57.465 57.345 -0.289 0.000 1.593 163 W CB 0.251 29.576 29.460 -0.225 0.000 1.122 163 W HN 0.050 nan 8.180 nan 0.000 0.710 164 V N -0.519 119.327 119.914 -0.113 0.000 2.721 164 V HA -0.161 3.959 4.120 -0.001 0.000 0.236 164 V C 2.404 178.386 176.094 -0.185 0.000 1.116 164 V CA 2.220 64.426 62.300 -0.157 0.000 1.148 164 V CB -0.609 31.152 31.823 -0.103 0.000 0.886 164 V HN 0.032 nan 8.190 nan 0.000 0.490 165 T N -1.028 113.429 114.554 -0.162 0.000 2.995 165 T HA -0.139 4.210 4.350 -0.001 0.000 0.269 165 T C 1.594 176.181 174.700 -0.188 0.000 1.091 165 T CA 1.683 63.695 62.100 -0.147 0.000 1.128 165 T CB -0.516 68.282 68.868 -0.116 0.000 0.891 165 T HN 0.576 nan 8.240 nan 0.000 0.492 166 T N -0.267 114.125 114.554 -0.270 0.000 3.107 166 T HA 0.223 4.573 4.350 -0.001 0.000 0.249 166 T C 1.641 176.142 174.700 -0.331 0.000 1.096 166 T CA 0.338 62.259 62.100 -0.297 0.000 1.012 166 T CB -0.027 68.620 68.868 -0.369 0.000 0.977 166 T HN 0.470 nan 8.240 nan 0.000 0.527 167 V N -1.739 117.951 119.914 -0.375 0.000 3.605 167 V HA 0.544 4.664 4.120 -0.001 0.000 0.284 167 V C 0.254 176.226 176.094 -0.203 0.000 1.386 167 V CA -0.471 61.581 62.300 -0.413 0.000 1.053 167 V CB -0.416 30.859 31.823 -0.913 0.000 0.857 167 V HN 0.355 nan 8.190 nan 0.000 0.436 168 L N 1.048 122.177 121.223 -0.156 0.000 2.330 168 L HA 0.646 4.986 4.340 -0.001 0.000 0.271 168 L C -2.485 174.343 176.870 -0.070 0.000 1.013 168 L CA -2.108 52.681 54.840 -0.085 0.000 0.816 168 L CB 1.719 43.735 42.059 -0.073 0.000 1.287 168 L HN -0.040 nan 8.230 nan 0.000 0.435 169 P HA 0.127 nan 4.420 nan 0.000 0.272 169 P C -2.146 175.131 177.300 -0.038 0.000 1.223 169 P CA -1.056 62.022 63.100 -0.037 0.000 0.784 169 P CB 0.194 31.882 31.700 -0.019 0.000 0.923 170 P HA -0.248 nan 4.420 nan 0.000 0.216 170 P C 1.467 178.752 177.300 -0.024 0.000 1.154 170 P CA 1.954 65.032 63.100 -0.036 0.000 0.865 170 P CB -0.293 31.386 31.700 -0.035 0.000 0.789 171 S N -0.765 114.924 115.700 -0.017 0.000 2.383 171 S HA -0.169 4.300 4.470 -0.001 0.000 0.227 171 S C 2.118 176.717 174.600 -0.002 0.000 1.026 171 S CA 1.057 59.252 58.200 -0.008 0.000 0.981 171 S CB -0.809 62.389 63.200 -0.003 0.000 0.818 171 S HN -0.023 nan 8.310 nan 0.000 0.472 172 R N 1.789 122.287 120.500 -0.004 0.000 2.075 172 R HA 0.122 4.462 4.340 -0.001 0.000 0.232 172 R C 2.052 178.353 176.300 0.001 0.000 1.126 172 R CA 1.612 57.714 56.100 0.004 0.000 0.963 172 R CB -1.477 28.823 30.300 -0.001 0.000 0.858 172 R HN 0.331 nan 8.270 nan 0.000 0.435 173 V N 1.503 121.407 119.914 -0.017 0.000 2.392 173 V HA -0.248 3.872 4.120 -0.001 0.000 0.249 173 V C 2.452 178.541 176.094 -0.009 0.000 1.059 173 V CA 2.238 64.525 62.300 -0.022 0.000 1.051 173 V CB -0.571 31.226 31.823 -0.042 0.000 0.658 173 V HN 0.420 nan 8.190 nan 0.000 0.455 174 K N -0.131 120.263 120.400 -0.009 0.000 2.057 174 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 174 K C 2.119 178.721 176.600 0.003 0.000 1.050 174 K CA 1.443 57.724 56.287 -0.010 0.000 0.935 174 K CB -0.159 32.333 32.500 -0.013 0.000 0.715 174 K HN 0.314 nan 8.250 nan 0.000 0.439 175 V N 1.877 121.807 119.914 0.026 0.000 2.287 175 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 175 V C 2.318 178.489 176.094 0.128 0.000 1.053 175 V CA 1.704 64.048 62.300 0.073 0.000 1.027 175 V CB -0.326 31.548 31.823 0.084 0.000 0.646 175 V HN 0.329 nan 8.190 nan 0.000 0.447 176 L N -0.605 120.671 121.223 0.088 0.000 2.056 176 L HA -0.125 4.215 4.340 -0.001 0.000 0.207 176 L C 2.611 179.529 176.870 0.080 0.000 1.078 176 L CA 1.597 56.496 54.840 0.098 0.000 0.749 176 L CB -0.632 41.457 42.059 0.050 0.000 0.901 176 L HN 0.271 nan 8.230 nan 0.000 0.433 177 S N 0.029 115.748 115.700 0.031 0.000 2.382 177 S HA -0.160 4.310 4.470 -0.001 0.000 0.228 177 S C 2.177 176.768 174.600 -0.016 0.000 1.027 177 S CA 1.155 59.360 58.200 0.007 0.000 0.991 177 S CB -0.284 62.909 63.200 -0.012 0.000 0.823 177 S HN 0.488 nan 8.310 nan 0.000 0.469 178 A N 1.041 123.828 122.820 -0.055 0.000 2.019 178 A HA -0.137 4.183 4.320 -0.001 0.000 0.219 178 A C 1.569 178.998 177.584 -0.259 0.000 1.164 178 A CA 1.219 53.156 52.037 -0.168 0.000 0.644 178 A CB -0.561 18.295 19.000 -0.240 0.000 0.805 178 A HN 0.563 nan 8.150 nan 0.000 0.449 179 H N -1.347 117.728 119.070 0.008 0.000 2.529 179 H HA 0.258 4.813 4.556 -0.001 0.000 0.277 179 H C 1.498 176.834 175.328 0.015 0.000 1.004 179 H CA 0.473 56.528 56.048 0.012 0.000 1.167 179 H CB 0.007 29.779 29.762 0.016 0.000 1.445 179 H HN 0.606 nan 8.280 nan 0.000 0.554 180 G N 1.522 110.372 108.800 0.083 0.000 2.176 180 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.252 180 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.252 180 G C 0.887 175.829 174.900 0.070 0.000 1.024 180 G CA 0.374 45.510 45.100 0.060 0.000 0.755 180 G HN 0.433 nan 8.290 nan 0.000 0.507 181 L N -0.193 121.079 121.223 0.081 0.000 2.607 181 L HA 0.301 4.641 4.340 -0.001 0.000 0.228 181 L C 1.024 177.923 176.870 0.049 0.000 1.123 181 L CA -0.383 54.499 54.840 0.070 0.000 0.890 181 L CB -0.002 42.105 42.059 0.079 0.000 1.103 181 L HN 0.179 nan 8.230 nan 0.000 0.468 182 I N 2.261 122.852 120.570 0.035 0.000 2.471 182 I HA 0.153 4.323 4.170 -0.001 0.000 0.286 182 I C -1.932 174.197 176.117 0.020 0.000 1.079 182 I CA -2.208 59.100 61.300 0.014 0.000 1.398 182 I CB 0.178 38.176 38.000 -0.004 0.000 1.403 182 I HN -0.201 nan 8.210 nan 0.000 0.530 183 P HA 0.120 nan 4.420 nan 0.000 0.271 183 P C 0.269 177.582 177.300 0.022 0.000 1.216 183 P CA -0.175 62.947 63.100 0.036 0.000 0.776 183 P CB 0.876 32.588 31.700 0.019 0.000 0.881 184 A N 2.509 125.364 122.820 0.057 0.000 2.030 184 A HA 0.440 4.760 4.320 -0.001 0.000 0.215 184 A C 1.002 178.562 177.584 -0.040 0.000 1.164 184 A CA 1.359 53.385 52.037 -0.019 0.000 0.697 184 A CB -0.560 18.382 19.000 -0.098 0.000 0.827 184 A HN 0.655 nan 8.150 nan 0.000 0.457 185 G N -1.751 107.076 108.800 0.045 0.000 2.702 185 G HA2 0.445 4.404 3.960 -0.001 0.000 0.296 185 G HA3 0.445 4.404 3.960 -0.001 0.000 0.296 185 G C 0.226 175.165 174.900 0.066 0.000 1.463 185 G CA -0.530 44.587 45.100 0.030 0.000 0.890 185 G HN -0.027 nan 8.290 nan 0.000 0.534 186 I N 0.392 120.924 120.570 -0.064 0.000 2.163 186 I HA -0.080 4.089 4.170 -0.001 0.000 0.240 186 I C 1.995 178.171 176.117 0.098 0.000 1.081 186 I CA 1.051 62.309 61.300 -0.070 0.000 1.353 186 I CB 0.094 37.872 38.000 -0.370 0.000 1.054 186 I HN 0.391 nan 8.210 nan 0.000 0.407 187 D N -0.654 119.876 120.400 0.217 0.000 2.224 187 D HA -0.189 4.451 4.640 -0.001 0.000 0.205 187 D C 1.915 178.319 176.300 0.173 0.000 0.965 187 D CA 1.058 55.192 54.000 0.224 0.000 0.852 187 D CB -0.353 40.613 40.800 0.276 0.000 0.947 187 D HN 0.411 nan 8.370 nan 0.000 0.494 188 H N 1.381 120.519 119.070 0.114 0.000 2.319 188 H HA -0.093 4.463 4.556 -0.001 0.000 0.299 188 H C 1.703 177.076 175.328 0.076 0.000 1.092 188 H CA 1.787 57.891 56.048 0.093 0.000 1.302 188 H CB 0.305 30.120 29.762 0.088 0.000 1.373 188 H HN -0.066 nan 8.280 nan 0.000 0.497 189 E N 0.311 120.531 120.200 0.034 0.000 2.106 189 E HA -0.112 4.238 4.350 -0.001 0.000 0.192 189 E C 2.620 179.205 176.600 -0.026 0.000 0.984 189 E CA 1.046 57.434 56.400 -0.020 0.000 0.806 189 E CB -0.191 29.546 29.700 0.062 0.000 0.750 189 E HN 0.601 nan 8.360 nan 0.000 0.458 190 I N 1.256 121.838 120.570 0.020 0.000 2.163 190 I HA -0.277 3.893 4.170 -0.001 0.000 0.243 190 I C 2.485 178.602 176.117 0.001 0.000 1.085 190 I CA 1.282 62.597 61.300 0.026 0.000 1.347 190 I CB -0.329 37.704 38.000 0.055 0.000 1.044 190 I HN 0.005 nan 8.210 nan 0.000 0.408 191 A N -0.042 122.770 122.820 -0.014 0.000 1.930 191 A HA -0.252 4.068 4.320 -0.001 0.000 0.217 191 A C 2.308 179.879 177.584 -0.023 0.000 1.175 191 A CA 1.781 53.807 52.037 -0.018 0.000 0.627 191 A CB -0.611 18.380 19.000 -0.015 0.000 0.815 191 A HN 0.487 nan 8.150 nan 0.000 0.443 192 E N -0.320 119.817 120.200 -0.105 0.000 2.110 192 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 192 E C 1.782 178.369 176.600 -0.022 0.000 0.988 192 E CA 1.020 57.377 56.400 -0.072 0.000 0.804 192 E CB -0.103 29.480 29.700 -0.195 0.000 0.745 192 E HN 0.517 nan 8.360 nan 0.000 0.458 193 I N 0.882 121.440 120.570 -0.019 0.000 2.179 193 I HA -0.274 3.895 4.170 -0.001 0.000 0.242 193 I C 2.343 178.469 176.117 0.016 0.000 1.088 193 I CA 1.139 62.440 61.300 0.001 0.000 1.357 193 I CB -0.863 37.145 38.000 0.014 0.000 1.051 193 I HN 0.318 nan 8.210 nan 0.000 0.409 194 M N -0.678 118.933 119.600 0.018 0.000 2.159 194 M HA -0.212 4.268 4.480 -0.001 0.000 0.263 194 M C 2.312 178.652 176.300 0.067 0.000 1.063 194 M CA 1.520 56.827 55.300 0.011 0.000 1.110 194 M CB -1.774 30.822 32.600 -0.007 0.000 1.374 194 M HN 0.393 nan 8.290 nan 0.000 0.411 195 H N 0.991 120.040 119.070 -0.036 0.000 2.270 195 H HA -0.165 4.390 4.556 -0.001 0.000 0.299 195 H C 2.298 177.622 175.328 -0.007 0.000 1.077 195 H CA 1.926 57.960 56.048 -0.024 0.000 1.294 195 H CB 0.072 29.817 29.762 -0.029 0.000 1.371 195 H HN 0.380 nan 8.280 nan 0.000 0.491 196 R N 0.744 121.188 120.500 -0.093 0.000 2.189 196 R HA -0.065 4.275 4.340 -0.001 0.000 0.223 196 R C 1.816 178.097 176.300 -0.031 0.000 1.092 196 R CA 1.683 57.678 56.100 -0.174 0.000 0.989 196 R CB -0.562 29.646 30.300 -0.153 0.000 0.876 196 R HN 0.377 nan 8.270 nan 0.000 0.457 197 T N -1.278 113.295 114.554 0.032 0.000 3.107 197 T HA 0.060 4.410 4.350 -0.001 0.000 0.249 197 T C 0.979 175.790 174.700 0.185 0.000 1.096 197 T CA 0.031 62.194 62.100 0.105 0.000 1.012 197 T CB 0.012 68.957 68.868 0.128 0.000 0.977 197 T HN 0.344 nan 8.240 nan 0.000 0.527 198 S N 1.810 117.578 115.700 0.112 0.000 2.608 198 S HA 0.440 4.909 4.470 -0.001 0.000 0.261 198 S C 0.513 175.189 174.600 0.125 0.000 1.314 198 S CA -0.996 57.272 58.200 0.113 0.000 0.992 198 S CB 0.247 63.495 63.200 0.081 0.000 0.935 198 S HN 0.362 nan 8.310 nan 0.000 0.564 199 M N 1.486 121.153 119.600 0.111 0.000 2.251 199 M HA 0.262 4.741 4.480 -0.001 0.000 0.343 199 M C 1.223 177.558 176.300 0.058 0.000 1.245 199 M CA 1.922 57.269 55.300 0.079 0.000 1.061 199 M CB -0.684 31.954 32.600 0.064 0.000 1.723 199 M HN 1.544 nan 8.290 nan 0.000 0.449 200 G N 3.711 112.534 108.800 0.038 0.000 2.160 200 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.251 200 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.251 200 G C 0.244 175.161 174.900 0.028 0.000 1.008 200 G CA 0.190 45.307 45.100 0.028 0.000 0.724 200 G HN 0.817 nan 8.290 nan 0.000 0.514 201 C N -1.084 118.230 119.300 0.024 0.000 2.619 201 C HA 0.642 5.102 4.460 -0.001 0.000 0.073 201 C C 0.994 175.971 174.990 -0.022 0.000 2.364 201 C CA 0.124 59.139 59.018 -0.005 0.000 1.846 201 C CB 0.269 28.000 27.740 -0.016 0.000 2.824 201 C HN 0.566 nan 8.230 nan 0.000 0.336 202 D N 0.377 120.751 120.400 -0.043 0.000 2.425 202 D HA 0.450 5.090 4.640 -0.001 0.000 0.247 202 D C -0.185 176.106 176.300 -0.015 0.000 1.147 202 D CA 0.468 54.448 54.000 -0.034 0.000 0.879 202 D CB 0.689 41.462 40.800 -0.045 0.000 1.179 202 D HN 0.611 nan 8.370 nan 0.000 0.456 203 A N 3.427 126.239 122.820 -0.013 0.000 3.106 203 A HA 0.261 4.581 4.320 -0.001 0.000 0.227 203 A C -0.544 177.034 177.584 -0.009 0.000 0.920 203 A CA -0.632 51.398 52.037 -0.011 0.000 1.088 203 A CB 0.059 19.053 19.000 -0.010 0.000 1.233 203 A HN 0.495 nan 8.150 nan 0.000 0.503 204 D N -0.304 120.092 120.400 -0.007 0.000 2.686 204 D HA 0.628 5.268 4.640 -0.001 0.000 0.249 204 D C 1.038 177.337 176.300 -0.001 0.000 1.260 204 D CA 0.300 54.298 54.000 -0.003 0.000 0.910 204 D CB 1.736 42.536 40.800 -0.000 0.000 1.323 204 D HN 0.136 nan 8.370 nan 0.000 0.561 205 A N 3.329 126.148 122.820 -0.001 0.000 1.883 205 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 205 A C 1.913 179.501 177.584 0.008 0.000 1.186 205 A CA 1.900 53.938 52.037 0.001 0.000 0.624 205 A CB -0.622 18.377 19.000 -0.002 0.000 0.822 205 A HN 0.642 nan 8.150 nan 0.000 0.444 206 Q N 0.134 119.940 119.800 0.010 0.000 2.084 206 Q HA -0.185 4.155 4.340 -0.001 0.000 0.202 206 Q C 1.892 177.902 176.000 0.017 0.000 0.978 206 Q CA 2.206 58.018 55.803 0.015 0.000 0.844 206 Q CB -0.463 28.285 28.738 0.015 0.000 0.898 206 Q HN 0.656 nan 8.270 nan 0.000 0.426 207 N N -0.645 118.063 118.700 0.014 0.000 2.084 207 N HA -0.110 4.629 4.740 -0.001 0.000 0.190 207 N C 1.506 177.024 175.510 0.013 0.000 1.030 207 N CA 1.395 54.454 53.050 0.014 0.000 0.849 207 N CB -0.218 38.273 38.487 0.007 0.000 1.012 207 N HN 0.332 nan 8.380 nan 0.000 0.423 208 L N -0.052 121.176 121.223 0.009 0.000 2.046 208 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 208 L C 2.117 179.001 176.870 0.022 0.000 1.077 208 L CA 0.920 55.766 54.840 0.011 0.000 0.747 208 L CB -0.339 41.725 42.059 0.009 0.000 0.896 208 L HN 0.249 nan 8.230 nan 0.000 0.432 209 L N -1.035 120.203 121.223 0.025 0.000 2.156 209 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 209 L C 2.409 179.304 176.870 0.041 0.000 1.095 209 L CA 0.701 55.563 54.840 0.038 0.000 0.770 209 L CB -0.319 41.764 42.059 0.039 0.000 0.914 209 L HN 0.262 nan 8.230 nan 0.000 0.439 210 L N -0.346 120.897 121.223 0.033 0.000 2.046 210 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 210 L C 2.666 179.562 176.870 0.044 0.000 1.077 210 L CA 1.441 56.303 54.840 0.036 0.000 0.747 210 L CB -1.066 41.017 42.059 0.039 0.000 0.896 210 L HN 0.314 nan 8.230 nan 0.000 0.432 211 G N -0.458 108.364 108.800 0.037 0.000 2.422 211 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.218 211 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.218 211 G C 1.588 176.516 174.900 0.047 0.000 1.146 211 G CA 0.724 45.845 45.100 0.036 0.000 0.769 211 G HN 0.491 nan 8.290 nan 0.000 0.547 212 G N 1.026 109.857 108.800 0.052 0.000 2.440 212 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.218 212 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.218 212 G C 1.800 176.753 174.900 0.090 0.000 1.154 212 G CA 0.828 45.970 45.100 0.070 0.000 0.767 212 G HN 0.428 nan 8.290 nan 0.000 0.552 213 L N -0.190 121.083 121.223 0.083 0.000 2.046 213 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 213 L C 2.916 179.841 176.870 0.092 0.000 1.077 213 L CA 1.518 56.412 54.840 0.090 0.000 0.747 213 L CB -0.459 41.637 42.059 0.062 0.000 0.896 213 L HN 0.218 nan 8.230 nan 0.000 0.432 214 R N -0.324 120.220 120.500 0.075 0.000 2.081 214 R HA -0.204 4.136 4.340 -0.001 0.000 0.235 214 R C 2.516 178.861 176.300 0.076 0.000 1.131 214 R CA 1.923 58.064 56.100 0.070 0.000 0.960 214 R CB -0.570 29.768 30.300 0.063 0.000 0.856 214 R HN 0.408 nan 8.270 nan 0.000 0.436 215 C N 0.853 120.201 119.300 0.080 0.000 2.432 215 C HA -0.022 4.438 4.460 -0.001 0.000 0.280 215 C C 3.003 178.067 174.990 0.124 0.000 1.353 215 C CA 1.238 60.308 59.018 0.085 0.000 1.766 215 C CB -0.961 26.824 27.740 0.074 0.000 1.924 215 C HN 0.782 nan 8.230 nan 0.000 0.509 216 S N 0.322 116.116 115.700 0.156 0.000 2.402 216 S HA -0.081 4.388 4.470 -0.001 0.000 0.229 216 S C 1.743 176.495 174.600 0.252 0.000 1.021 216 S CA 1.510 59.864 58.200 0.257 0.000 0.974 216 S CB -0.711 62.655 63.200 0.276 0.000 0.800 216 S HN 0.685 nan 8.310 nan 0.000 0.484 217 L N 1.027 122.330 121.223 0.133 0.000 2.217 217 L HA 0.081 4.421 4.340 -0.001 0.000 0.211 217 L C 3.136 179.990 176.870 -0.026 0.000 1.107 217 L CA 0.846 55.698 54.840 0.020 0.000 0.783 217 L CB -0.767 41.300 42.059 0.013 0.000 0.919 217 L HN 0.478 nan 8.230 nan 0.000 0.442 218 A N 0.223 123.056 122.820 0.022 0.000 1.933 218 A HA -0.297 4.023 4.320 -0.001 0.000 0.218 218 A C 1.953 179.542 177.584 0.009 0.000 1.175 218 A CA 2.148 54.182 52.037 -0.006 0.000 0.628 218 A CB -0.598 18.415 19.000 0.022 0.000 0.814 218 A HN 0.458 nan 8.150 nan 0.000 0.444 219 D N -0.767 119.697 120.400 0.106 0.000 2.117 219 D HA -0.158 4.482 4.640 -0.001 0.000 0.197 219 D C 1.791 178.114 176.300 0.039 0.000 0.987 219 D CA 1.317 55.437 54.000 0.202 0.000 0.829 219 D CB -0.144 40.910 40.800 0.422 0.000 0.961 219 D HN 0.252 nan 8.370 nan 0.000 0.460 220 L N 0.589 121.648 121.223 -0.273 0.000 2.042 220 L HA -0.044 4.295 4.340 -0.001 0.000 0.210 220 L C 2.153 178.827 176.870 -0.327 0.000 1.076 220 L CA 2.217 56.584 54.840 -0.788 0.000 0.749 220 L CB -1.103 40.264 42.059 -1.153 0.000 0.893 220 L HN 0.108 nan 8.230 nan 0.000 0.432 221 A N -0.465 122.242 122.820 -0.188 0.000 1.908 221 A HA -0.095 4.224 4.320 -0.001 0.000 0.218 221 A C 2.356 179.867 177.584 -0.122 0.000 1.181 221 A CA 1.669 53.653 52.037 -0.087 0.000 0.627 221 A CB -1.632 17.312 19.000 -0.094 0.000 0.818 221 A HN 0.553 nan 8.150 nan 0.000 0.445 222 G N -1.021 107.704 108.800 -0.125 0.000 2.418 222 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.217 222 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.217 222 G C 1.589 176.440 174.900 -0.081 0.000 1.158 222 G CA 1.293 46.341 45.100 -0.086 0.000 0.771 222 G HN 0.526 nan 8.290 nan 0.000 0.545 223 C N -0.950 118.286 119.300 -0.107 0.000 2.432 223 C HA -0.015 4.444 4.460 -0.001 0.000 0.277 223 C C 2.383 177.324 174.990 -0.081 0.000 1.249 223 C CA 0.694 59.612 59.018 -0.166 0.000 1.725 223 C CB -1.045 26.583 27.740 -0.186 0.000 2.028 223 C HN 0.519 nan 8.230 nan 0.000 0.477 224 Y N 0.753 120.968 120.300 -0.143 0.000 2.242 224 Y HA -0.148 4.401 4.550 -0.001 0.000 0.291 224 Y C 2.573 178.464 175.900 -0.015 0.000 1.137 224 Y CA 1.636 59.729 58.100 -0.012 0.000 1.181 224 Y CB -0.552 37.951 38.460 0.072 0.000 0.989 224 Y HN 0.287 nan 8.280 nan 0.000 0.527 225 M N -1.000 118.536 119.600 -0.107 0.000 2.117 225 M HA -0.120 4.359 4.480 -0.001 0.000 0.262 225 M C 2.188 178.367 176.300 -0.202 0.000 1.065 225 M CA 2.122 57.056 55.300 -0.611 0.000 1.114 225 M CB -0.559 31.445 32.600 -0.994 0.000 1.361 225 M HN 0.333 nan 8.290 nan 0.000 0.408 226 G N -0.853 107.890 108.800 -0.095 0.000 2.402 226 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.216 226 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.216 226 G C 1.300 176.236 174.900 0.060 0.000 1.162 226 G CA 1.294 46.407 45.100 0.022 0.000 0.777 226 G HN 0.459 nan 8.290 nan 0.000 0.539 227 T N 0.967 115.526 114.554 0.008 0.000 2.746 227 T HA -0.091 4.259 4.350 -0.001 0.000 0.267 227 T C 2.016 176.757 174.700 0.068 0.000 1.039 227 T CA 1.446 63.558 62.100 0.020 0.000 1.142 227 T CB -0.266 68.548 68.868 -0.091 0.000 0.866 227 T HN 0.130 nan 8.240 nan 0.000 0.444 228 D N 1.003 121.478 120.400 0.126 0.000 2.104 228 D HA -0.023 4.617 4.640 -0.001 0.000 0.194 228 D C 2.138 178.522 176.300 0.139 0.000 0.994 228 D CA 0.882 55.005 54.000 0.205 0.000 0.830 228 D CB -0.335 40.733 40.800 0.448 0.000 0.959 228 D HN 0.307 nan 8.370 nan 0.000 0.452 229 L N 0.359 121.639 121.223 0.094 0.000 2.072 229 L HA -0.071 4.269 4.340 -0.001 0.000 0.205 229 L C 2.517 179.405 176.870 0.030 0.000 1.079 229 L CA 1.004 55.871 54.840 0.045 0.000 0.752 229 L CB -0.380 41.682 42.059 0.005 0.000 0.906 229 L HN -0.043 nan 8.230 nan 0.000 0.436 230 A N -0.201 122.687 122.820 0.114 0.000 1.972 230 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 230 A C 1.883 179.558 177.584 0.153 0.000 1.169 230 A CA 1.873 54.041 52.037 0.218 0.000 0.635 230 A CB -0.442 18.753 19.000 0.325 0.000 0.810 230 A HN 0.332 nan 8.150 nan 0.000 0.446 231 D N 0.062 120.522 120.400 0.101 0.000 2.117 231 D HA -0.094 4.546 4.640 -0.001 0.000 0.198 231 D C 1.838 178.155 176.300 0.028 0.000 0.982 231 D CA 1.011 55.054 54.000 0.072 0.000 0.828 231 D CB -0.332 40.506 40.800 0.062 0.000 0.967 231 D HN 0.518 nan 8.370 nan 0.000 0.464 232 I N 0.402 120.978 120.570 0.010 0.000 2.127 232 I HA -0.269 3.901 4.170 -0.001 0.000 0.241 232 I C 2.358 178.409 176.117 -0.111 0.000 1.075 232 I CA 0.944 62.232 61.300 -0.020 0.000 1.334 232 I CB -0.155 37.845 38.000 -0.001 0.000 1.040 232 I HN -0.013 nan 8.210 nan 0.000 0.405 233 L N -1.049 120.006 121.223 -0.281 0.000 2.109 233 L HA -0.114 4.226 4.340 -0.001 0.000 0.207 233 L C 1.569 178.051 176.870 -0.646 0.000 1.086 233 L CA 1.191 55.669 54.840 -0.603 0.000 0.760 233 L CB -0.108 41.258 42.059 -1.155 0.000 0.910 233 L HN 0.180 nan 8.230 nan 0.000 0.437 234 F N -0.975 119.032 119.950 0.094 0.000 2.767 234 F HA 0.468 4.995 4.527 -0.001 0.000 0.323 234 F C 0.950 176.779 175.800 0.048 0.000 1.091 234 F CA -0.133 57.923 58.000 0.095 0.000 1.192 234 F CB 0.319 39.382 39.000 0.104 0.000 1.056 234 F HN -0.053 nan 8.300 nan 0.000 0.571 235 G N 0.779 109.654 108.800 0.124 0.000 2.911 235 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.686 235 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.686 235 G C -0.459 174.463 174.900 0.037 0.000 1.136 235 G CA -1.078 44.060 45.100 0.064 0.000 0.764 235 G HN -0.023 nan 8.290 nan 0.000 0.626 236 T N 4.491 119.055 114.554 0.018 0.000 2.870 236 T HA 0.473 4.822 4.350 -0.001 0.000 0.300 236 T C -1.641 173.039 174.700 -0.034 0.000 0.989 236 T CA -0.087 62.014 62.100 0.002 0.000 1.139 236 T CB 0.997 69.869 68.868 0.008 0.000 0.920 236 T HN 0.496 nan 8.240 nan 0.000 0.537 237 P HA 0.405 nan 4.420 nan 0.000 0.269 237 P C -0.993 176.241 177.300 -0.111 0.000 1.209 237 P CA -0.238 62.797 63.100 -0.108 0.000 0.776 237 P CB 0.517 32.142 31.700 -0.126 0.000 0.876 238 A N 3.613 126.346 122.820 -0.146 0.000 2.485 238 A HA 0.748 5.068 4.320 -0.001 0.000 0.292 238 A C -2.747 174.680 177.584 -0.261 0.000 1.147 238 A CA -2.012 49.925 52.037 -0.165 0.000 0.750 238 A CB 0.389 19.327 19.000 -0.104 0.000 1.331 238 A HN 0.302 nan 8.150 nan 0.000 0.419 239 P HA 0.313 nan 4.420 nan 0.000 0.265 239 P C -0.622 176.523 177.300 -0.258 0.000 1.193 239 P CA 0.259 63.078 63.100 -0.468 0.000 0.765 239 P CB 0.640 32.089 31.700 -0.418 0.000 0.823 240 V N 1.009 120.782 119.914 -0.236 0.000 3.078 240 V HA 0.712 4.832 4.120 -0.001 0.000 0.311 240 V C -0.785 175.263 176.094 -0.076 0.000 1.138 240 V CA -1.016 61.208 62.300 -0.126 0.000 1.007 240 V CB 2.336 34.087 31.823 -0.121 0.000 1.045 240 V HN 0.135 nan 8.190 nan 0.000 0.432 241 V N 1.646 121.539 119.914 -0.035 0.000 2.540 241 V HA 0.864 4.984 4.120 -0.001 0.000 0.302 241 V C 0.151 176.246 176.094 0.002 0.000 1.035 241 V CA 0.474 62.773 62.300 -0.003 0.000 0.873 241 V CB 1.238 33.064 31.823 0.006 0.000 0.992 241 V HN 1.338 nan 8.190 nan 0.000 0.428 242 T N 3.221 117.785 114.554 0.017 0.000 2.606 242 T HA 0.575 4.924 4.350 -0.001 0.000 0.280 242 T C -1.552 173.164 174.700 0.027 0.000 1.074 242 T CA -0.331 61.779 62.100 0.017 0.000 1.140 242 T CB 1.923 70.799 68.868 0.013 0.000 1.631 242 T HN 0.739 nan 8.240 nan 0.000 0.464 243 E N -0.066 120.150 120.200 0.027 0.000 2.446 243 E HA 0.641 4.991 4.350 -0.001 0.000 0.276 243 E C -1.530 175.092 176.600 0.035 0.000 0.969 243 E CA -0.941 55.475 56.400 0.028 0.000 0.800 243 E CB 2.237 31.946 29.700 0.014 0.000 1.341 243 E HN 0.722 nan 8.360 nan 0.000 0.460 244 S N 1.041 116.762 115.700 0.035 0.000 2.618 244 S HA 0.695 5.165 4.470 -0.001 0.000 0.277 244 S C -0.474 174.137 174.600 0.017 0.000 1.138 244 S CA -0.475 57.750 58.200 0.042 0.000 0.844 244 S CB 1.928 65.183 63.200 0.091 0.000 1.127 244 S HN 0.869 nan 8.310 nan 0.000 0.474 245 N N -0.838 117.868 118.700 0.010 0.000 6.490 245 N HA -0.154 4.586 4.740 -0.001 0.000 0.412 245 N C 0.112 175.611 175.510 -0.019 0.000 1.101 245 N CA 0.178 53.223 53.050 -0.008 0.000 1.820 245 N CB -0.949 37.524 38.487 -0.022 0.000 0.745 245 N HN 0.670 nan 8.380 nan 0.000 0.448 246 L N 0.451 121.663 121.223 -0.018 0.000 2.275 246 L HA -0.011 4.329 4.340 -0.001 0.000 0.215 246 L C 2.373 179.236 176.870 -0.012 0.000 1.119 246 L CA 1.523 56.352 54.840 -0.018 0.000 0.790 246 L CB -0.647 41.406 42.059 -0.009 0.000 0.919 246 L HN 0.760 nan 8.230 nan 0.000 0.443 247 G N 0.121 108.915 108.800 -0.010 0.000 2.586 247 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.215 247 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.215 247 G C 1.535 176.432 174.900 -0.006 0.000 1.128 247 G CA 0.835 45.932 45.100 -0.006 0.000 0.774 247 G HN 0.399 nan 8.290 nan 0.000 0.543 248 V N -1.563 118.346 119.914 -0.010 0.000 3.217 248 V HA 0.312 4.432 4.120 -0.001 0.000 0.264 248 V C 1.240 177.327 176.094 -0.011 0.000 1.135 248 V CA -0.009 62.285 62.300 -0.010 0.000 1.142 248 V CB -0.589 31.226 31.823 -0.014 0.000 0.754 248 V HN 0.165 nan 8.190 nan 0.000 0.484 249 L N 1.403 122.620 121.223 -0.009 0.000 2.439 249 L HA 0.349 4.689 4.340 -0.001 0.000 0.269 249 L C 0.314 177.189 176.870 0.008 0.000 1.179 249 L CA 0.373 55.212 54.840 -0.001 0.000 0.828 249 L CB 0.411 42.471 42.059 0.003 0.000 1.106 249 L HN 0.188 nan 8.230 nan 0.000 0.467 250 K N 1.463 121.873 120.400 0.017 0.000 2.502 250 K HA 0.392 4.712 4.320 -0.001 0.000 0.254 250 K C 0.391 177.026 176.600 0.058 0.000 0.947 250 K CA -0.481 55.822 56.287 0.026 0.000 0.834 250 K CB 1.927 34.434 32.500 0.012 0.000 1.112 250 K HN 0.651 nan 8.250 nan 0.000 0.427 251 A N 2.360 125.217 122.820 0.061 0.000 1.978 251 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 251 A C 1.218 178.905 177.584 0.172 0.000 1.170 251 A CA 2.029 54.120 52.037 0.090 0.000 0.636 251 A CB -0.352 18.681 19.000 0.054 0.000 0.810 251 A HN 0.844 nan 8.150 nan 0.000 0.448 252 D N -1.000 119.485 120.400 0.142 0.000 2.340 252 D HA 0.459 5.099 4.640 -0.001 0.000 0.217 252 D C 0.409 176.776 176.300 0.112 0.000 1.081 252 D CA 0.556 54.673 54.000 0.196 0.000 0.842 252 D CB -0.271 40.593 40.800 0.106 0.000 0.934 252 D HN 0.385 nan 8.370 nan 0.000 0.511 253 A N -0.011 122.842 122.820 0.054 0.000 2.322 253 A HA 0.603 4.922 4.320 -0.001 0.000 0.327 253 A C -0.342 177.132 177.584 -0.183 0.000 1.134 253 A CA -0.815 51.135 52.037 -0.145 0.000 0.831 253 A CB 1.592 20.541 19.000 -0.086 0.000 1.288 253 A HN 0.020 nan 8.150 nan 0.000 0.472 254 V N 3.055 122.742 119.914 -0.379 0.000 2.415 254 V HA 0.094 4.214 4.120 -0.001 0.000 0.267 254 V C -0.146 175.921 176.094 -0.045 0.000 1.042 254 V CA -0.416 61.780 62.300 -0.173 0.000 1.000 254 V CB -0.252 31.434 31.823 -0.229 0.000 1.015 254 V HN 0.720 nan 8.190 nan 0.000 0.478 255 N N 4.304 123.025 118.700 0.035 0.000 2.419 255 N HA 0.405 5.145 4.740 -0.001 0.000 0.264 255 N C -0.801 174.712 175.510 0.006 0.000 1.031 255 N CA -0.209 52.848 53.050 0.013 0.000 0.951 255 N CB 2.249 40.753 38.487 0.027 0.000 1.101 255 N HN 0.390 nan 8.380 nan 0.000 0.488 256 V N 1.519 121.423 119.914 -0.017 0.000 2.407 256 V HA 0.486 4.606 4.120 -0.001 0.000 0.291 256 V C 0.013 176.088 176.094 -0.032 0.000 1.018 256 V CA -0.977 61.311 62.300 -0.021 0.000 0.842 256 V CB 1.359 33.163 31.823 -0.032 0.000 0.996 256 V HN 0.711 nan 8.190 nan 0.000 0.426 257 A N 4.808 127.612 122.820 -0.027 0.000 2.309 257 A HA 0.798 5.118 4.320 -0.001 0.000 0.298 257 A C -0.128 177.438 177.584 -0.030 0.000 1.165 257 A CA -0.483 51.529 52.037 -0.041 0.000 0.821 257 A CB 1.167 20.137 19.000 -0.050 0.000 1.102 257 A HN 1.300 nan 8.150 nan 0.000 0.500 258 V N 1.195 121.082 119.914 -0.045 0.000 2.439 258 V HA 0.723 4.842 4.120 -0.001 0.000 0.282 258 V C -0.376 175.724 176.094 0.011 0.000 1.039 258 V CA -0.431 61.843 62.300 -0.043 0.000 0.913 258 V CB 0.936 32.708 31.823 -0.085 0.000 0.983 258 V HN 0.988 nan 8.190 nan 0.000 0.460 259 H N 2.331 121.335 119.070 -0.111 0.000 2.894 259 H HA 0.827 5.383 4.556 -0.000 0.000 0.367 259 H C 0.075 175.345 175.328 -0.098 0.000 1.144 259 H CA 0.304 56.294 56.048 -0.096 0.000 1.180 259 H CB 1.787 31.513 29.762 -0.060 0.000 1.758 259 H HN 1.386 nan 8.280 nan 0.000 0.541 260 G N 2.647 111.467 108.800 0.034 0.000 2.395 260 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.201 260 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.201 260 G C -0.481 174.268 174.900 -0.252 0.000 1.206 260 G CA 0.343 45.405 45.100 -0.063 0.000 1.210 260 G HN 0.672 nan 8.290 nan 0.000 0.557 261 H N -0.050 118.984 119.070 -0.059 0.000 2.916 261 H HA 0.324 4.880 4.556 -0.000 0.000 0.229 261 H C 0.783 176.076 175.328 -0.059 0.000 0.917 261 H CA 0.326 56.412 56.048 0.063 0.000 1.048 261 H CB 0.524 30.463 29.762 0.295 0.000 1.417 261 H HN 0.352 nan 8.280 nan 0.000 0.445 262 N N 2.656 121.220 118.700 -0.228 0.000 2.419 262 N HA 0.050 4.790 4.740 -0.001 0.000 0.264 262 N C -1.952 173.406 175.510 -0.252 0.000 1.031 262 N CA -1.719 51.118 53.050 -0.355 0.000 0.951 262 N CB 1.703 39.971 38.487 -0.365 0.000 1.101 262 N HN 0.109 nan 8.380 nan 0.000 0.488 263 P HA -0.069 nan 4.420 nan 0.000 0.230 263 P C 1.385 178.417 177.300 -0.446 0.000 1.158 263 P CA 0.410 63.313 63.100 -0.329 0.000 0.769 263 P CB 0.508 32.023 31.700 -0.308 0.000 0.807 264 V N 0.044 119.853 119.914 -0.175 0.000 2.380 264 V HA -0.231 3.889 4.120 -0.001 0.000 0.251 264 V C 2.485 178.622 176.094 0.071 0.000 1.063 264 V CA 1.711 64.059 62.300 0.081 0.000 1.055 264 V CB -1.033 30.702 31.823 -0.147 0.000 0.657 264 V HN 0.101 nan 8.190 nan 0.000 0.455 265 L N 0.659 121.729 121.223 -0.255 0.000 2.062 265 L HA -0.048 4.291 4.340 -0.001 0.000 0.202 265 L C 2.794 179.439 176.870 -0.375 0.000 1.079 265 L CA 2.361 56.867 54.840 -0.557 0.000 0.755 265 L CB -0.953 40.746 42.059 -0.601 0.000 0.913 265 L HN 0.469 nan 8.230 nan 0.000 0.445 266 S N -1.233 114.279 115.700 -0.314 0.000 2.374 266 S HA -0.299 4.170 4.470 -0.001 0.000 0.227 266 S C 1.844 176.303 174.600 -0.235 0.000 1.037 266 S CA 1.798 59.853 58.200 -0.242 0.000 1.024 266 S CB -1.141 61.937 63.200 -0.204 0.000 0.861 266 S HN 0.606 nan 8.310 nan 0.000 0.456 267 D N 0.726 120.929 120.400 -0.328 0.000 2.144 267 D HA 0.009 4.649 4.640 -0.001 0.000 0.200 267 D C 1.839 178.007 176.300 -0.219 0.000 0.978 267 D CA 1.059 54.859 54.000 -0.333 0.000 0.833 267 D CB -0.083 40.262 40.800 -0.759 0.000 0.961 267 D HN 0.339 nan 8.370 nan 0.000 0.470 268 I N 0.924 121.408 120.570 -0.143 0.000 2.353 268 I HA -0.177 3.992 4.170 -0.001 0.000 0.248 268 I C 2.021 178.094 176.117 -0.073 0.000 1.119 268 I CA 0.612 61.872 61.300 -0.066 0.000 1.417 268 I CB -0.786 37.266 38.000 0.086 0.000 1.078 268 I HN 0.195 nan 8.210 nan 0.000 0.421 269 I N 0.621 121.131 120.570 -0.100 0.000 2.208 269 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 269 I C 2.751 178.803 176.117 -0.109 0.000 1.097 269 I CA 1.231 62.474 61.300 -0.094 0.000 1.363 269 I CB -1.265 36.665 38.000 -0.117 0.000 1.051 269 I HN 0.038 nan 8.210 nan 0.000 0.413 270 V N 0.431 120.255 119.914 -0.151 0.000 2.295 270 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 270 V C 2.572 178.560 176.094 -0.176 0.000 1.049 270 V CA 2.066 64.259 62.300 -0.180 0.000 1.024 270 V CB -0.598 31.063 31.823 -0.270 0.000 0.648 270 V HN 0.372 nan 8.190 nan 0.000 0.447 271 S N -0.564 115.028 115.700 -0.180 0.000 2.395 271 S HA -0.089 4.381 4.470 -0.001 0.000 0.225 271 S C 1.971 176.514 174.600 -0.095 0.000 1.027 271 S CA 1.092 59.206 58.200 -0.143 0.000 0.965 271 S CB 0.104 63.229 63.200 -0.124 0.000 0.812 271 S HN 0.361 nan 8.310 nan 0.000 0.482 272 V N 2.726 122.592 119.914 -0.080 0.000 2.358 272 V HA -0.165 3.955 4.120 -0.001 0.000 0.246 272 V C 2.677 178.736 176.094 -0.057 0.000 1.047 272 V CA 1.885 64.151 62.300 -0.056 0.000 1.035 272 V CB -1.079 30.723 31.823 -0.034 0.000 0.658 272 V HN 0.694 nan 8.190 nan 0.000 0.452 273 S N 1.126 116.786 115.700 -0.067 0.000 2.402 273 S HA -0.290 4.180 4.470 -0.001 0.000 0.233 273 S C 1.812 176.372 174.600 -0.068 0.000 1.030 273 S CA 1.759 59.919 58.200 -0.067 0.000 1.003 273 S CB -0.498 62.657 63.200 -0.074 0.000 0.813 273 S HN 0.748 nan 8.310 nan 0.000 0.477 274 K N 1.189 121.546 120.400 -0.071 0.000 2.228 274 K HA 0.070 4.389 4.320 -0.001 0.000 0.202 274 K C 2.238 178.806 176.600 -0.053 0.000 1.051 274 K CA 0.933 57.182 56.287 -0.063 0.000 0.960 274 K CB -0.238 32.224 32.500 -0.063 0.000 0.743 274 K HN 0.563 nan 8.250 nan 0.000 0.458 275 E N 1.474 121.643 120.200 -0.052 0.000 2.130 275 E HA -0.173 4.177 4.350 -0.001 0.000 0.196 275 E C 1.328 177.904 176.600 -0.041 0.000 0.998 275 E CA 1.150 57.525 56.400 -0.043 0.000 0.806 275 E CB 0.090 29.765 29.700 -0.042 0.000 0.738 275 E HN 0.273 nan 8.360 nan 0.000 0.459 276 M N 0.283 119.855 119.600 -0.046 0.000 2.551 276 M HA 0.112 4.592 4.480 -0.001 0.000 0.252 276 M C 0.852 177.119 176.300 -0.055 0.000 1.219 276 M CA 0.153 55.426 55.300 -0.046 0.000 0.978 276 M CB 0.301 32.874 32.600 -0.044 0.000 1.533 276 M HN 0.049 nan 8.290 nan 0.000 0.474 277 E N 1.500 121.666 120.200 -0.057 0.000 2.070 277 E HA -0.217 4.133 4.350 -0.001 0.000 0.197 277 E C 1.352 177.916 176.600 -0.060 0.000 1.004 277 E CA 1.502 57.863 56.400 -0.064 0.000 0.805 277 E CB -0.142 29.524 29.700 -0.055 0.000 0.744 277 E HN 0.559 nan 8.360 nan 0.000 0.451 278 N N 0.584 119.257 118.700 -0.045 0.000 2.216 278 N HA -0.126 4.613 4.740 -0.001 0.000 0.183 278 N C 1.598 177.086 175.510 -0.037 0.000 1.017 278 N CA 0.773 53.801 53.050 -0.037 0.000 0.861 278 N CB -0.009 38.461 38.487 -0.028 0.000 0.986 278 N HN 0.169 nan 8.380 nan 0.000 0.428 279 E N -0.039 120.139 120.200 -0.037 0.000 2.110 279 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 279 E C 1.702 178.275 176.600 -0.045 0.000 0.988 279 E CA 0.964 57.345 56.400 -0.032 0.000 0.804 279 E CB -0.012 29.671 29.700 -0.028 0.000 0.745 279 E HN 0.411 nan 8.360 nan 0.000 0.458 280 A N 0.809 123.585 122.820 -0.074 0.000 1.929 280 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 280 A C 2.055 179.561 177.584 -0.130 0.000 1.176 280 A CA 1.067 53.028 52.037 -0.127 0.000 0.628 280 A CB -0.284 18.609 19.000 -0.178 0.000 0.816 280 A HN 0.099 nan 8.150 nan 0.000 0.444 281 R N -0.503 119.942 120.500 -0.093 0.000 2.096 281 R HA -0.067 4.272 4.340 -0.001 0.000 0.235 281 R C 2.381 178.664 176.300 -0.029 0.000 1.127 281 R CA 1.105 57.165 56.100 -0.066 0.000 0.968 281 R CB -0.416 29.855 30.300 -0.049 0.000 0.861 281 R HN 0.505 nan 8.270 nan 0.000 0.440 282 A N 0.787 123.594 122.820 -0.022 0.000 2.024 282 A HA -0.116 4.204 4.320 -0.001 0.000 0.220 282 A C 2.088 179.685 177.584 0.021 0.000 1.164 282 A CA 1.748 53.785 52.037 -0.000 0.000 0.643 282 A CB -0.389 18.609 19.000 -0.003 0.000 0.806 282 A HN 0.402 nan 8.150 nan 0.000 0.451 283 A N -2.286 120.549 122.820 0.025 0.000 2.251 283 A HA 0.440 4.760 4.320 -0.001 0.000 0.209 283 A C 1.676 179.367 177.584 0.179 0.000 1.187 283 A CA 1.129 53.219 52.037 0.090 0.000 0.823 283 A CB -0.633 18.424 19.000 0.094 0.000 0.846 283 A HN 1.813 nan 8.150 nan 0.000 0.486 284 G N -2.302 106.568 108.800 0.116 0.000 2.179 284 G HA2 0.150 4.110 3.960 -0.001 0.000 0.220 284 G HA3 0.150 4.110 3.960 -0.001 0.000 0.220 284 G C 0.380 175.390 174.900 0.182 0.000 0.990 284 G CA 0.154 45.367 45.100 0.189 0.000 0.646 284 G HN 1.486 nan 8.290 nan 0.000 0.517 285 A N -0.060 122.676 122.820 -0.140 0.000 2.269 285 A HA 0.817 5.136 4.320 -0.001 0.000 0.319 285 A C 1.611 179.062 177.584 -0.222 0.000 1.110 285 A CA 1.078 52.813 52.037 -0.503 0.000 0.847 285 A CB 0.620 18.900 19.000 -1.201 0.000 1.161 285 A HN 1.271 nan 8.150 nan 0.000 0.497 286 T N -1.898 112.547 114.554 -0.182 0.000 3.023 286 T HA 0.452 4.802 4.350 -0.001 0.000 0.266 286 T C 0.892 175.518 174.700 -0.122 0.000 1.093 286 T CA 0.938 62.975 62.100 -0.104 0.000 1.129 286 T CB -0.270 68.560 68.868 -0.064 0.000 0.899 286 T HN 2.158 nan 8.240 nan 0.000 0.491 287 G N 0.316 109.008 108.800 -0.180 0.000 2.324 287 G HA2 0.410 4.370 3.960 -0.001 0.000 0.293 287 G HA3 0.410 4.370 3.960 -0.001 0.000 0.293 287 G C -1.904 172.889 174.900 -0.179 0.000 1.297 287 G CA -1.092 43.919 45.100 -0.149 0.000 0.853 287 G HN 0.335 nan 8.290 nan 0.000 0.535 288 I N 1.145 121.635 120.570 -0.133 0.000 2.315 288 I HA 0.280 4.450 4.170 -0.001 0.000 0.291 288 I C -0.262 175.802 176.117 -0.089 0.000 1.006 288 I CA -0.698 60.531 61.300 -0.118 0.000 1.265 288 I CB 1.675 39.618 38.000 -0.096 0.000 1.387 288 I HN 0.360 nan 8.210 nan 0.000 0.475 289 N N 6.624 125.277 118.700 -0.079 0.000 2.678 289 N HA 0.238 4.977 4.740 -0.001 0.000 0.231 289 N C -0.905 174.575 175.510 -0.050 0.000 1.038 289 N CA -0.317 52.699 53.050 -0.057 0.000 0.932 289 N CB 0.762 39.223 38.487 -0.045 0.000 1.176 289 N HN 0.277 nan 8.380 nan 0.000 0.511 290 V N 3.546 123.428 119.914 -0.053 0.000 2.555 290 V HA 0.288 4.408 4.120 -0.001 0.000 0.286 290 V C 0.478 176.544 176.094 -0.047 0.000 1.044 290 V CA -0.426 61.841 62.300 -0.053 0.000 1.026 290 V CB 0.812 32.596 31.823 -0.064 0.000 0.981 290 V HN 0.445 nan 8.190 nan 0.000 0.480 291 V N 2.313 122.197 119.914 -0.050 0.000 3.040 291 V HA 1.040 5.160 4.120 -0.001 0.000 0.312 291 V C 0.154 176.205 176.094 -0.072 0.000 1.115 291 V CA -0.488 61.779 62.300 -0.055 0.000 0.998 291 V CB 1.864 33.654 31.823 -0.055 0.000 1.042 291 V HN 0.889 nan 8.190 nan 0.000 0.433 292 G N 1.698 110.447 108.800 -0.084 0.000 2.400 292 G HA2 0.758 4.718 3.960 -0.001 0.000 0.333 292 G HA3 0.758 4.718 3.960 -0.001 0.000 0.333 292 G C -1.027 173.759 174.900 -0.190 0.000 1.143 292 G CA -0.805 44.233 45.100 -0.104 0.000 0.914 292 G HN 0.836 nan 8.290 nan 0.000 0.480 293 I N 0.444 120.889 120.570 -0.208 0.000 2.608 293 I HA 0.348 4.518 4.170 -0.001 0.000 0.295 293 I C 0.448 176.450 176.117 -0.193 0.000 1.049 293 I CA -0.431 60.661 61.300 -0.348 0.000 1.063 293 I CB 1.752 39.392 38.000 -0.601 0.000 1.248 293 I HN 0.691 nan 8.210 nan 0.000 0.424 294 C N 2.513 121.731 119.300 -0.137 0.000 0.168 294 C HA -0.280 4.180 4.460 -0.001 0.000 0.017 294 C C 2.225 177.215 174.990 0.000 0.000 0.171 294 C CA -0.092 58.953 59.018 0.046 0.000 0.499 294 C CB -1.483 26.339 27.740 0.137 0.000 3.212 294 C HN 1.045 nan 8.230 nan 0.000 1.118 295 C N -0.268 118.935 119.300 -0.163 0.000 2.457 295 C HA -0.054 4.406 4.460 -0.001 0.000 0.278 295 C C 2.728 177.654 174.990 -0.106 0.000 1.309 295 C CA 1.957 60.894 59.018 -0.135 0.000 1.735 295 C CB -1.455 26.140 27.740 -0.242 0.000 1.992 295 C HN 1.010 nan 8.230 nan 0.000 0.493 296 T N 0.094 114.543 114.554 -0.175 0.000 2.833 296 T HA -0.069 4.281 4.350 -0.001 0.000 0.269 296 T C 1.806 176.466 174.700 -0.067 0.000 1.054 296 T CA 1.981 64.017 62.100 -0.106 0.000 1.135 296 T CB -0.407 68.380 68.868 -0.134 0.000 0.869 296 T HN 0.636 nan 8.240 nan 0.000 0.466 297 G N 1.278 110.045 108.800 -0.053 0.000 2.418 297 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.217 297 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.217 297 G C 1.753 176.659 174.900 0.009 0.000 1.158 297 G CA 0.645 45.722 45.100 -0.038 0.000 0.771 297 G HN 0.446 nan 8.290 nan 0.000 0.545 298 N N 0.650 119.382 118.700 0.053 0.000 2.166 298 N HA -0.081 4.659 4.740 -0.001 0.000 0.186 298 N C 2.184 177.695 175.510 0.001 0.000 1.019 298 N CA 0.986 54.089 53.050 0.087 0.000 0.856 298 N CB -0.164 38.422 38.487 0.165 0.000 0.993 298 N HN 0.335 nan 8.380 nan 0.000 0.426 299 E N 0.540 120.738 120.200 -0.004 0.000 2.051 299 E HA -0.116 4.234 4.350 -0.001 0.000 0.192 299 E C 2.120 178.686 176.600 -0.057 0.000 0.991 299 E CA 1.121 57.507 56.400 -0.024 0.000 0.799 299 E CB -0.351 29.339 29.700 -0.016 0.000 0.748 299 E HN 0.396 nan 8.360 nan 0.000 0.449 300 V N -0.695 119.201 119.914 -0.031 0.000 2.951 300 V HA -0.021 4.099 4.120 -0.001 0.000 0.255 300 V C 2.409 178.503 176.094 -0.001 0.000 1.088 300 V CA 0.789 63.109 62.300 0.033 0.000 1.109 300 V CB -0.699 31.160 31.823 0.060 0.000 0.724 300 V HN 0.067 nan 8.190 nan 0.000 0.471 301 L N -0.611 120.595 121.223 -0.028 0.000 2.017 301 L HA -0.093 4.247 4.340 -0.001 0.000 0.208 301 L C 2.663 179.463 176.870 -0.118 0.000 1.073 301 L CA 2.020 56.834 54.840 -0.043 0.000 0.745 301 L CB -0.233 41.822 42.059 -0.006 0.000 0.894 301 L HN 0.188 nan 8.230 nan 0.000 0.432 302 M N -0.710 118.787 119.600 -0.172 0.000 2.175 302 M HA -0.159 4.321 4.480 -0.001 0.000 0.264 302 M C 2.360 178.521 176.300 -0.232 0.000 1.063 302 M CA 1.697 56.860 55.300 -0.229 0.000 1.119 302 M CB -0.952 31.516 32.600 -0.220 0.000 1.377 302 M HN 0.312 nan 8.290 nan 0.000 0.415 303 R N -1.596 118.724 120.500 -0.299 0.000 2.189 303 R HA 0.013 4.352 4.340 -0.001 0.000 0.203 303 R C 0.915 176.806 176.300 -0.682 0.000 1.012 303 R CA 0.760 56.550 56.100 -0.516 0.000 1.015 303 R CB 0.176 30.062 30.300 -0.689 0.000 0.938 303 R HN 0.539 nan 8.270 nan 0.000 0.472 304 H N -1.999 117.040 119.070 -0.052 0.000 3.233 304 H HA 0.248 4.804 4.556 -0.001 0.000 0.263 304 H C 0.738 176.038 175.328 -0.048 0.000 1.168 304 H CA 0.262 56.283 56.048 -0.046 0.000 1.159 304 H CB 1.654 31.387 29.762 -0.048 0.000 1.593 304 H HN 0.320 nan 8.280 nan 0.000 0.580 305 G N 1.594 110.396 108.800 0.003 0.000 2.179 305 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.257 305 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.257 305 G C 0.015 174.924 174.900 0.015 0.000 1.010 305 G CA 0.036 45.134 45.100 -0.003 0.000 0.736 305 G HN 0.226 nan 8.290 nan 0.000 0.513 306 I N 2.166 122.754 120.570 0.030 0.000 2.683 306 I HA 0.138 4.308 4.170 -0.001 0.000 0.286 306 I C -1.169 174.950 176.117 0.003 0.000 1.175 306 I CA -2.110 59.197 61.300 0.012 0.000 1.429 306 I CB 0.116 38.123 38.000 0.011 0.000 1.371 306 I HN 0.042 nan 8.210 nan 0.000 0.569 307 P HA 0.134 nan 4.420 nan 0.000 0.271 307 P C -0.786 176.507 177.300 -0.012 0.000 1.216 307 P CA -0.482 62.618 63.100 0.001 0.000 0.776 307 P CB 0.877 32.574 31.700 -0.005 0.000 0.881 308 A N 2.573 125.396 122.820 0.006 0.000 2.309 308 A HA 0.215 4.535 4.320 -0.001 0.000 0.290 308 A C 1.504 179.038 177.584 -0.082 0.000 1.206 308 A CA -0.556 51.460 52.037 -0.034 0.000 0.850 308 A CB -0.415 18.626 19.000 0.069 0.000 1.118 308 A HN 0.766 nan 8.150 nan 0.000 0.523 309 C N 2.157 121.368 119.300 -0.149 0.000 2.518 309 C HA 0.354 4.814 4.460 -0.001 0.000 0.279 309 C C 1.319 176.208 174.990 -0.169 0.000 1.279 309 C CA 1.746 60.686 59.018 -0.130 0.000 1.703 309 C CB -0.280 27.386 27.740 -0.123 0.000 2.072 309 C HN 0.989 nan 8.230 nan 0.000 0.487 310 T N -2.721 111.633 114.554 -0.333 0.000 2.653 310 T HA 0.498 4.848 4.350 -0.001 0.000 0.306 310 T C -2.263 172.021 174.700 -0.693 0.000 1.426 310 T CA -0.405 61.501 62.100 -0.323 0.000 1.008 310 T CB 1.032 69.833 68.868 -0.110 0.000 1.692 310 T HN 0.559 nan 8.240 nan 0.000 0.483 311 H N -0.254 118.795 119.070 -0.034 0.000 3.012 311 H HA 0.723 5.279 4.556 -0.001 0.000 0.367 311 H C 0.370 175.702 175.328 0.007 0.000 1.211 311 H CA 0.379 56.410 56.048 -0.028 0.000 1.139 311 H CB 1.597 31.352 29.762 -0.012 0.000 1.838 311 H HN 0.828 nan 8.280 nan 0.000 0.550 312 S N -0.177 115.608 115.700 0.142 0.000 4.054 312 S HA -0.313 4.156 4.470 -0.001 0.000 0.618 312 S C 1.782 176.420 174.600 0.064 0.000 2.026 312 S CA 1.802 60.079 58.200 0.128 0.000 4.205 312 S CB -1.272 62.018 63.200 0.149 0.000 0.233 312 S HN 0.702 nan 8.310 nan 0.000 0.612 313 V N 2.557 122.488 119.914 0.029 0.000 2.568 313 V HA -0.059 4.061 4.120 -0.001 0.000 0.253 313 V C 2.130 178.152 176.094 -0.120 0.000 1.072 313 V CA 3.066 65.290 62.300 -0.126 0.000 1.084 313 V CB -0.651 31.054 31.823 -0.197 0.000 0.676 313 V HN 1.073 nan 8.190 nan 0.000 0.469 314 S N -0.263 115.495 115.700 0.097 0.000 2.597 314 S HA -0.008 4.462 4.470 -0.001 0.000 0.224 314 S C 1.583 176.248 174.600 0.109 0.000 0.955 314 S CA 0.352 58.690 58.200 0.229 0.000 0.933 314 S CB 0.072 63.467 63.200 0.325 0.000 0.788 314 S HN 0.865 nan 8.310 nan 0.000 0.488 315 Q N 1.713 121.531 119.800 0.030 0.000 2.234 315 Q HA -0.163 4.177 4.340 -0.001 0.000 0.206 315 Q C 1.365 177.368 176.000 0.004 0.000 0.980 315 Q CA 1.643 57.422 55.803 -0.040 0.000 0.869 315 Q CB -0.730 27.960 28.738 -0.078 0.000 0.912 315 Q HN 0.660 nan 8.270 nan 0.000 0.436 316 E N 0.342 120.574 120.200 0.053 0.000 2.204 316 E HA -0.112 4.237 4.350 -0.001 0.000 0.195 316 E C 1.898 178.541 176.600 0.072 0.000 0.990 316 E CA 0.986 57.426 56.400 0.068 0.000 0.821 316 E CB -0.022 29.731 29.700 0.088 0.000 0.750 316 E HN 0.401 nan 8.360 nan 0.000 0.477 317 M N 0.188 119.844 119.600 0.094 0.000 2.296 317 M HA -0.060 4.420 4.480 -0.001 0.000 0.265 317 M C 2.340 178.664 176.300 0.040 0.000 1.064 317 M CA 0.964 56.314 55.300 0.085 0.000 1.109 317 M CB -0.942 31.723 32.600 0.109 0.000 1.396 317 M HN 0.126 nan 8.290 nan 0.000 0.430 318 A N 0.301 123.129 122.820 0.014 0.000 1.933 318 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 318 A C 2.235 179.823 177.584 0.007 0.000 1.175 318 A CA 1.589 53.622 52.037 -0.007 0.000 0.628 318 A CB -0.551 18.423 19.000 -0.043 0.000 0.814 318 A HN 0.511 nan 8.150 nan 0.000 0.444 319 M N -0.553 119.058 119.600 0.018 0.000 2.229 319 M HA -0.045 4.434 4.480 -0.001 0.000 0.264 319 M C 1.602 177.918 176.300 0.027 0.000 1.063 319 M CA 0.922 56.237 55.300 0.025 0.000 1.114 319 M CB -0.376 32.244 32.600 0.034 0.000 1.387 319 M HN 0.251 nan 8.290 nan 0.000 0.420 320 I N 0.801 121.391 120.570 0.033 0.000 2.614 320 I HA -0.175 3.995 4.170 -0.001 0.000 0.258 320 I C 2.650 178.781 176.117 0.023 0.000 1.189 320 I CA 1.716 63.036 61.300 0.033 0.000 1.462 320 I CB -1.860 36.167 38.000 0.044 0.000 1.092 320 I HN 0.435 nan 8.210 nan 0.000 0.442 321 T N -1.079 113.486 114.554 0.019 0.000 2.849 321 T HA -0.103 4.247 4.350 -0.001 0.000 0.270 321 T C 1.793 176.500 174.700 0.012 0.000 1.066 321 T CA 1.473 63.581 62.100 0.014 0.000 1.130 321 T CB -0.510 68.365 68.868 0.012 0.000 0.864 321 T HN 0.510 nan 8.240 nan 0.000 0.481 322 G N 0.648 109.456 108.800 0.013 0.000 2.199 322 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.254 322 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.254 322 G C 0.872 175.778 174.900 0.010 0.000 0.982 322 G CA 0.213 45.317 45.100 0.008 0.000 0.632 322 G HN 1.396 nan 8.290 nan 0.000 0.529 323 A N -0.797 122.034 122.820 0.019 0.000 2.390 323 A HA 0.723 5.043 4.320 -0.001 0.000 0.232 323 A C 0.733 178.345 177.584 0.047 0.000 1.233 323 A CA 0.640 52.698 52.037 0.036 0.000 0.907 323 A CB 0.249 19.271 19.000 0.038 0.000 0.967 323 A HN 1.116 nan 8.150 nan 0.000 0.512 324 L N 0.889 122.132 121.223 0.033 0.000 2.268 324 L HA 0.334 4.674 4.340 -0.001 0.000 0.289 324 L C 0.178 177.072 176.870 0.040 0.000 1.064 324 L CA -0.017 54.841 54.840 0.030 0.000 0.824 324 L CB 0.368 42.437 42.059 0.016 0.000 1.202 324 L HN 0.207 nan 8.230 nan 0.000 0.433 325 D N 3.847 124.282 120.400 0.058 0.000 2.194 325 D HA 0.110 4.750 4.640 -0.001 0.000 0.204 325 D C 0.305 176.633 176.300 0.047 0.000 0.964 325 D CA 1.053 55.095 54.000 0.070 0.000 0.846 325 D CB 0.467 41.341 40.800 0.123 0.000 0.962 325 D HN 0.557 nan 8.370 nan 0.000 0.490 326 A N 0.105 122.944 122.820 0.032 0.000 2.549 326 A HA 0.627 4.947 4.320 -0.001 0.000 0.297 326 A C -1.291 176.302 177.584 0.015 0.000 1.061 326 A CA -0.613 51.437 52.037 0.022 0.000 0.690 326 A CB 2.056 21.064 19.000 0.013 0.000 1.287 326 A HN 0.055 nan 8.150 nan 0.000 0.402 327 M N 3.191 122.804 119.600 0.022 0.000 2.085 327 M HA 0.562 5.042 4.480 -0.001 0.000 0.309 327 M C -1.926 174.386 176.300 0.021 0.000 0.947 327 M CA -0.453 54.868 55.300 0.034 0.000 0.918 327 M CB 0.419 33.058 32.600 0.065 0.000 1.504 327 M HN 0.595 nan 8.290 nan 0.000 0.420 328 I N 6.544 127.113 120.570 -0.001 0.000 2.307 328 I HA 0.334 4.504 4.170 -0.001 0.000 0.289 328 I C -0.858 175.224 176.117 -0.060 0.000 1.021 328 I CA -0.508 60.766 61.300 -0.043 0.000 1.224 328 I CB 0.869 38.824 38.000 -0.075 0.000 1.376 328 I HN 0.633 nan 8.210 nan 0.000 0.470 329 L N 6.030 127.207 121.223 -0.076 0.000 2.325 329 L HA 0.437 4.777 4.340 -0.001 0.000 0.278 329 L C 0.101 176.879 176.870 -0.153 0.000 1.023 329 L CA -0.472 54.302 54.840 -0.111 0.000 0.811 329 L CB 1.707 43.714 42.059 -0.087 0.000 1.249 329 L HN 0.627 nan 8.230 nan 0.000 0.431 330 D N 0.497 120.767 120.400 -0.216 0.000 2.949 330 D HA 0.199 4.839 4.640 -0.001 0.000 0.247 330 D C -0.799 175.378 176.300 -0.204 0.000 1.552 330 D CA 0.169 53.977 54.000 -0.320 0.000 1.231 330 D CB 0.131 40.598 40.800 -0.556 0.000 0.990 330 D HN 0.353 nan 8.370 nan 0.000 0.270 331 Y N -2.527 117.785 120.300 0.020 0.000 2.609 331 Y HA 0.569 5.118 4.550 -0.000 0.000 0.336 331 Y C -1.355 174.589 175.900 0.074 0.000 1.129 331 Y CA -1.856 56.254 58.100 0.017 0.000 1.040 331 Y CB 0.533 38.996 38.460 0.004 0.000 1.310 331 Y HN 0.263 nan 8.280 nan 0.000 0.460 332 Q N -0.153 119.798 119.800 0.251 0.000 3.195 332 Q HA -0.068 4.272 4.340 -0.001 0.000 0.038 332 Q C -0.308 175.791 176.000 0.165 0.000 1.688 332 Q CA 0.552 56.418 55.803 0.104 0.000 0.257 332 Q CB -1.187 27.389 28.738 -0.270 0.000 0.583 332 Q HN 1.429 nan 8.270 nan 0.000 0.322 333 C N 0.211 119.604 119.300 0.154 0.000 4.497 333 C HA -0.209 4.251 4.460 -0.001 0.000 0.268 333 C C 0.615 175.697 174.990 0.154 0.000 1.343 333 C CA 0.663 59.806 59.018 0.207 0.000 1.742 333 C CB -2.126 25.790 27.740 0.293 0.000 1.450 333 C HN 0.570 nan 8.230 nan 0.000 0.733 334 I N 1.452 122.031 120.570 0.015 0.000 2.301 334 I HA 0.188 4.357 4.170 -0.001 0.000 0.292 334 I C 0.794 176.937 176.117 0.043 0.000 1.046 334 I CA 0.520 61.775 61.300 -0.076 0.000 1.282 334 I CB 0.530 38.364 38.000 -0.276 0.000 1.409 334 I HN 0.272 nan 8.210 nan 0.000 0.484 335 Q N 8.661 128.521 119.800 0.101 0.000 2.247 335 Q HA 0.023 4.362 4.340 -0.001 0.000 0.288 335 Q C -1.278 174.751 176.000 0.048 0.000 1.079 335 Q CA -1.129 54.710 55.803 0.061 0.000 0.932 335 Q CB 0.576 29.345 28.738 0.051 0.000 1.133 335 Q HN 0.442 nan 8.270 nan 0.000 0.377 336 P HA -0.157 nan 4.420 nan 0.000 0.230 336 P C 0.998 178.317 177.300 0.031 0.000 1.158 336 P CA 0.967 64.084 63.100 0.028 0.000 0.769 336 P CB 0.212 31.924 31.700 0.020 0.000 0.807 337 S N 0.564 116.284 115.700 0.032 0.000 2.420 337 S HA -0.180 4.289 4.470 -0.001 0.000 0.237 337 S C 2.010 176.635 174.600 0.043 0.000 1.023 337 S CA 1.649 59.870 58.200 0.035 0.000 0.991 337 S CB -2.042 61.178 63.200 0.034 0.000 0.792 337 S HN 0.184 nan 8.310 nan 0.000 0.488 338 V N 0.150 120.095 119.914 0.053 0.000 2.469 338 V HA 0.002 4.122 4.120 -0.001 0.000 0.251 338 V C 2.672 178.795 176.094 0.048 0.000 1.064 338 V CA 1.449 63.785 62.300 0.059 0.000 1.066 338 V CB -1.802 30.071 31.823 0.084 0.000 0.667 338 V HN 0.565 nan 8.190 nan 0.000 0.461 339 A N 0.309 123.153 122.820 0.041 0.000 2.015 339 A HA -0.090 4.229 4.320 -0.001 0.000 0.219 339 A C 2.306 179.910 177.584 0.032 0.000 1.163 339 A CA 2.300 54.358 52.037 0.036 0.000 0.646 339 A CB -0.978 18.041 19.000 0.032 0.000 0.806 339 A HN 0.572 nan 8.150 nan 0.000 0.448 340 T N -0.084 114.489 114.554 0.032 0.000 2.894 340 T HA 0.057 4.407 4.350 -0.001 0.000 0.258 340 T C 1.776 176.495 174.700 0.031 0.000 1.043 340 T CA 1.108 63.225 62.100 0.029 0.000 1.141 340 T CB -0.304 68.581 68.868 0.028 0.000 0.873 340 T HN 0.397 nan 8.240 nan 0.000 0.449 341 I N 1.746 122.337 120.570 0.036 0.000 2.264 341 I HA -0.203 3.967 4.170 -0.001 0.000 0.248 341 I C 2.864 179.001 176.117 0.034 0.000 1.111 341 I CA 1.020 62.343 61.300 0.038 0.000 1.382 341 I CB -0.444 37.584 38.000 0.046 0.000 1.060 341 I HN 0.183 nan 8.210 nan 0.000 0.418 342 A N 1.178 124.018 122.820 0.034 0.000 2.024 342 A HA -0.270 4.049 4.320 -0.001 0.000 0.220 342 A C 2.250 179.849 177.584 0.025 0.000 1.164 342 A CA 2.027 54.082 52.037 0.030 0.000 0.643 342 A CB -0.763 18.256 19.000 0.032 0.000 0.806 342 A HN 0.693 nan 8.150 nan 0.000 0.451 343 E N -0.834 119.380 120.200 0.024 0.000 2.153 343 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 343 E C 1.780 178.390 176.600 0.017 0.000 0.988 343 E CA 1.564 57.976 56.400 0.019 0.000 0.811 343 E CB -0.591 29.120 29.700 0.019 0.000 0.746 343 E HN 0.570 nan 8.360 nan 0.000 0.466 344 C N 0.779 120.090 119.300 0.019 0.000 2.507 344 C HA 0.049 4.508 4.460 -0.001 0.000 0.280 344 C C 2.846 177.845 174.990 0.016 0.000 1.345 344 C CA 1.044 60.073 59.018 0.018 0.000 1.736 344 C CB -0.551 27.202 27.740 0.023 0.000 2.060 344 C HN 0.729 nan 8.230 nan 0.000 0.498 345 T N -2.903 111.662 114.554 0.019 0.000 3.044 345 T HA 0.374 4.723 4.350 -0.001 0.000 0.250 345 T C 1.573 176.280 174.700 0.012 0.000 1.081 345 T CA 1.380 63.490 62.100 0.016 0.000 1.040 345 T CB 0.121 69.002 68.868 0.022 0.000 0.962 345 T HN 0.840 nan 8.240 nan 0.000 0.506 346 G N 1.153 109.961 108.800 0.013 0.000 2.225 346 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.254 346 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.254 346 G C 0.293 175.204 174.900 0.017 0.000 0.988 346 G CA 0.149 45.255 45.100 0.010 0.000 0.625 346 G HN 0.740 nan 8.290 nan 0.000 0.527 347 T N 2.275 116.842 114.554 0.022 0.000 2.946 347 T HA 0.421 4.771 4.350 -0.001 0.000 0.311 347 T C 0.594 175.311 174.700 0.028 0.000 1.063 347 T CA 1.074 63.190 62.100 0.027 0.000 1.139 347 T CB 1.022 69.908 68.868 0.030 0.000 0.994 347 T HN 0.253 nan 8.240 nan 0.000 0.547 348 T N 3.842 118.414 114.554 0.029 0.000 2.727 348 T HA 0.336 4.686 4.350 -0.001 0.000 0.298 348 T C 0.206 174.923 174.700 0.027 0.000 0.942 348 T CA -0.520 61.596 62.100 0.027 0.000 0.997 348 T CB 0.270 69.154 68.868 0.026 0.000 0.917 348 T HN 0.330 nan 8.240 nan 0.000 0.487 349 V N 6.184 126.116 119.914 0.030 0.000 2.406 349 V HA 0.419 4.538 4.120 -0.001 0.000 0.272 349 V C 0.131 176.242 176.094 0.028 0.000 1.043 349 V CA -0.541 61.778 62.300 0.033 0.000 0.915 349 V CB 0.645 32.492 31.823 0.040 0.000 0.988 349 V HN 0.767 nan 8.190 nan 0.000 0.466 350 I N 4.785 125.365 120.570 0.015 0.000 2.410 350 I HA 0.380 4.550 4.170 -0.001 0.000 0.286 350 I C 0.473 176.584 176.117 -0.010 0.000 1.009 350 I CA -0.324 60.977 61.300 0.001 0.000 1.111 350 I CB 2.232 40.221 38.000 -0.018 0.000 1.262 350 I HN 0.680 nan 8.210 nan 0.000 0.443 351 T N 0.289 114.859 114.554 0.026 0.000 2.922 351 T HA 0.423 4.773 4.350 -0.001 0.000 0.285 351 T C 0.719 175.350 174.700 -0.116 0.000 1.005 351 T CA -0.114 62.019 62.100 0.055 0.000 1.061 351 T CB 1.680 70.691 68.868 0.238 0.000 1.007 351 T HN 0.752 nan 8.240 nan 0.000 0.502 352 T N -2.128 112.383 114.554 -0.072 0.000 3.009 352 T HA 0.316 4.666 4.350 -0.001 0.000 0.267 352 T C 0.335 175.072 174.700 0.063 0.000 0.942 352 T CA -0.529 61.484 62.100 -0.146 0.000 0.883 352 T CB 0.234 69.034 68.868 -0.113 0.000 1.192 352 T HN 0.459 nan 8.240 nan 0.000 0.524 353 M N 1.759 121.482 119.600 0.205 0.000 2.294 353 M HA 0.505 4.984 4.480 -0.001 0.000 0.335 353 M C 0.869 177.321 176.300 0.252 0.000 1.079 353 M CA -0.513 54.911 55.300 0.207 0.000 0.982 353 M CB 1.679 34.391 32.600 0.187 0.000 1.651 353 M HN 0.122 nan 8.290 nan 0.000 0.437 354 E N 2.373 122.672 120.200 0.165 0.000 2.204 354 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 354 E C 1.046 177.645 176.600 -0.002 0.000 0.989 354 E CA 1.199 57.631 56.400 0.052 0.000 0.824 354 E CB 0.215 29.933 29.700 0.031 0.000 0.756 354 E HN 0.641 nan 8.360 nan 0.000 0.477 355 M N -1.268 118.346 119.600 0.023 0.000 2.568 355 M HA 0.191 4.671 4.480 -0.001 0.000 0.226 355 M C 0.268 176.581 176.300 0.022 0.000 1.148 355 M CA 0.250 55.547 55.300 -0.005 0.000 1.007 355 M CB 0.884 33.461 32.600 -0.038 0.000 1.651 355 M HN -0.225 nan 8.290 nan 0.000 0.488 356 S N 0.827 116.566 115.700 0.065 0.000 2.356 356 S HA 0.479 4.948 4.470 -0.001 0.000 0.171 356 S C -0.832 173.810 174.600 0.070 0.000 1.399 356 S CA -0.764 57.484 58.200 0.079 0.000 1.225 356 S CB 0.296 63.591 63.200 0.158 0.000 1.271 356 S HN 0.424 nan 8.310 nan 0.000 0.427 357 K N 2.416 122.826 120.400 0.016 0.000 2.221 357 K HA 0.684 5.004 4.320 -0.001 0.000 0.243 357 K C -0.882 175.727 176.600 0.015 0.000 0.968 357 K CA -0.882 55.408 56.287 0.004 0.000 0.846 357 K CB 1.767 34.211 32.500 -0.094 0.000 1.141 357 K HN 0.438 nan 8.250 nan 0.000 0.434 358 I N 1.324 121.910 120.570 0.028 0.000 2.512 358 I HA 0.116 4.286 4.170 -0.001 0.000 0.287 358 I C -0.341 175.788 176.117 0.021 0.000 1.069 358 I CA -0.788 60.526 61.300 0.022 0.000 1.056 358 I CB 2.202 40.219 38.000 0.029 0.000 1.229 358 I HN 0.518 nan 8.210 nan 0.000 0.429 359 T N 4.510 119.071 114.554 0.012 0.000 2.905 359 T HA 0.220 4.570 4.350 -0.001 0.000 0.299 359 T C 1.165 175.876 174.700 0.019 0.000 1.024 359 T CA 1.313 63.419 62.100 0.011 0.000 1.151 359 T CB 0.614 69.486 68.868 0.006 0.000 0.987 359 T HN 1.137 nan 8.240 nan 0.000 0.535 360 G N 1.719 110.532 108.800 0.022 0.000 2.217 360 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.246 360 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.246 360 G C 0.217 175.137 174.900 0.032 0.000 0.990 360 G CA -0.080 45.035 45.100 0.025 0.000 0.627 360 G HN 1.174 nan 8.290 nan 0.000 0.522 361 A N 0.302 123.146 122.820 0.040 0.000 2.304 361 A HA 0.768 5.087 4.320 -0.001 0.000 0.301 361 A C 0.588 178.211 177.584 0.065 0.000 1.132 361 A CA 0.696 52.762 52.037 0.050 0.000 0.819 361 A CB 0.642 19.675 19.000 0.055 0.000 1.094 361 A HN 0.691 nan 8.150 nan 0.000 0.492 362 T N 1.746 116.336 114.554 0.060 0.000 2.901 362 T HA 0.268 4.618 4.350 -0.001 0.000 0.301 362 T C -0.254 174.507 174.700 0.102 0.000 1.012 362 T CA 0.786 62.928 62.100 0.069 0.000 1.135 362 T CB -0.122 68.771 68.868 0.042 0.000 0.936 362 T HN 0.654 nan 8.240 nan 0.000 0.539 363 H N 2.240 121.322 119.070 0.021 0.000 2.476 363 H HA 0.543 5.099 4.556 -0.000 0.000 0.328 363 H C -1.074 174.274 175.328 0.034 0.000 1.073 363 H CA -0.519 55.544 56.048 0.026 0.000 1.229 363 H CB 0.616 30.392 29.762 0.023 0.000 1.432 363 H HN 0.322 nan 8.280 nan 0.000 0.477 364 V N 6.100 125.773 119.914 -0.402 0.000 2.349 364 V HA 0.135 4.255 4.120 -0.001 0.000 0.284 364 V C 0.238 176.127 176.094 -0.341 0.000 1.014 364 V CA -0.986 61.178 62.300 -0.226 0.000 0.826 364 V CB 0.831 32.604 31.823 -0.085 0.000 1.009 364 V HN 0.890 nan 8.190 nan 0.000 0.431 365 N N 3.304 121.891 118.700 -0.189 0.000 2.454 365 N HA 0.138 4.877 4.740 -0.001 0.000 0.260 365 N C -0.909 174.635 175.510 0.056 0.000 1.218 365 N CA -0.208 52.819 53.050 -0.038 0.000 0.904 365 N CB 0.406 38.948 38.487 0.092 0.000 1.065 365 N HN 0.563 nan 8.380 nan 0.000 0.462 366 F N 3.424 123.345 119.950 -0.048 0.000 2.420 366 F HA 0.604 5.131 4.527 -0.001 0.000 0.342 366 F C -0.411 175.417 175.800 0.048 0.000 1.113 366 F CA -0.646 57.356 58.000 0.003 0.000 1.059 366 F CB 1.046 40.051 39.000 0.008 0.000 1.128 366 F HN 0.443 nan 8.300 nan 0.000 0.475 367 A N 4.837 127.415 122.820 -0.403 0.000 2.356 367 A HA 0.483 4.803 4.320 -0.001 0.000 0.310 367 A C 0.381 177.720 177.584 -0.408 0.000 1.075 367 A CA -0.603 51.287 52.037 -0.244 0.000 0.746 367 A CB 1.053 19.976 19.000 -0.128 0.000 1.221 367 A HN 0.828 nan 8.150 nan 0.000 0.443 368 E N 1.115 121.226 120.200 -0.149 0.000 2.204 368 E HA -0.174 4.176 4.350 -0.001 0.000 0.195 368 E C 0.986 177.619 176.600 0.055 0.000 0.990 368 E CA 1.866 58.276 56.400 0.016 0.000 0.821 368 E CB 0.012 29.701 29.700 -0.017 0.000 0.750 368 E HN 0.831 nan 8.360 nan 0.000 0.477 369 E N -0.152 120.033 120.200 -0.024 0.000 2.268 369 E HA -0.029 4.320 4.350 -0.001 0.000 0.195 369 E C 0.842 177.414 176.600 -0.046 0.000 0.995 369 E CA 1.100 57.496 56.400 -0.007 0.000 0.836 369 E CB 0.210 29.900 29.700 -0.016 0.000 0.763 369 E HN 0.247 nan 8.360 nan 0.000 0.491 370 A N -0.258 122.488 122.820 -0.124 0.000 2.616 370 A HA 0.628 4.948 4.320 -0.001 0.000 0.294 370 A C 1.571 179.023 177.584 -0.221 0.000 1.091 370 A CA 0.323 52.277 52.037 -0.139 0.000 0.971 370 A CB 0.057 18.985 19.000 -0.120 0.000 1.222 370 A HN 0.177 nan 8.150 nan 0.000 0.521 371 A N -0.240 122.424 122.820 -0.261 0.000 1.883 371 A HA -0.073 4.247 4.320 -0.001 0.000 0.217 371 A C 2.008 179.545 177.584 -0.078 0.000 1.186 371 A CA 2.236 54.059 52.037 -0.358 0.000 0.624 371 A CB -0.687 18.267 19.000 -0.077 0.000 0.822 371 A HN 0.540 nan 8.150 nan 0.000 0.444 372 V N -0.159 119.720 119.914 -0.059 0.000 2.358 372 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 372 V C 2.426 178.514 176.094 -0.010 0.000 1.047 372 V CA 2.346 64.633 62.300 -0.022 0.000 1.035 372 V CB -0.823 30.975 31.823 -0.042 0.000 0.658 372 V HN 0.656 nan 8.190 nan 0.000 0.452 373 E N 0.188 120.369 120.200 -0.032 0.000 2.077 373 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 373 E C 2.115 178.712 176.600 -0.004 0.000 0.989 373 E CA 1.338 57.725 56.400 -0.021 0.000 0.800 373 E CB -0.198 29.484 29.700 -0.030 0.000 0.746 373 E HN 0.557 nan 8.360 nan 0.000 0.452 374 N N 0.756 119.446 118.700 -0.016 0.000 2.120 374 N HA -0.135 4.605 4.740 -0.001 0.000 0.188 374 N C 1.650 177.232 175.510 0.120 0.000 1.024 374 N CA 1.291 54.364 53.050 0.039 0.000 0.852 374 N CB -0.410 38.068 38.487 -0.016 0.000 1.003 374 N HN 0.143 nan 8.380 nan 0.000 0.424 375 A N 1.410 124.326 122.820 0.160 0.000 1.902 375 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 375 A C 2.110 179.724 177.584 0.049 0.000 1.181 375 A CA 1.355 53.469 52.037 0.129 0.000 0.623 375 A CB -0.354 18.723 19.000 0.129 0.000 0.818 375 A HN 0.244 nan 8.150 nan 0.000 0.443 376 K N -0.738 119.680 120.400 0.029 0.000 2.097 376 K HA -0.202 4.118 4.320 -0.001 0.000 0.206 376 K C 2.378 178.984 176.600 0.011 0.000 1.049 376 K CA 1.502 57.794 56.287 0.009 0.000 0.933 376 K CB -0.165 32.336 32.500 0.000 0.000 0.717 376 K HN 0.720 nan 8.250 nan 0.000 0.442 377 Q N 1.247 121.058 119.800 0.017 0.000 2.030 377 Q HA -0.186 4.154 4.340 -0.001 0.000 0.204 377 Q C 2.067 178.076 176.000 0.015 0.000 0.986 377 Q CA 1.547 57.359 55.803 0.015 0.000 0.843 377 Q CB -0.086 28.662 28.738 0.016 0.000 0.904 377 Q HN 0.287 nan 8.270 nan 0.000 0.420 378 I N 0.512 121.095 120.570 0.022 0.000 2.179 378 I HA -0.319 3.850 4.170 -0.001 0.000 0.242 378 I C 2.267 178.387 176.117 0.005 0.000 1.088 378 I CA 1.089 62.396 61.300 0.012 0.000 1.357 378 I CB -0.219 37.788 38.000 0.013 0.000 1.051 378 I HN 0.292 nan 8.210 nan 0.000 0.409 379 L N -0.024 121.200 121.223 0.001 0.000 2.141 379 L HA -0.140 4.200 4.340 -0.001 0.000 0.209 379 L C 2.683 179.553 176.870 -0.001 0.000 1.094 379 L CA 1.066 55.902 54.840 -0.008 0.000 0.763 379 L CB -0.514 41.534 42.059 -0.019 0.000 0.908 379 L HN 0.146 nan 8.230 nan 0.000 0.437 380 R N 0.041 120.543 120.500 0.003 0.000 2.096 380 R HA -0.126 4.213 4.340 -0.001 0.000 0.235 380 R C 2.272 178.583 176.300 0.019 0.000 1.127 380 R CA 1.138 57.243 56.100 0.010 0.000 0.968 380 R CB -0.386 29.919 30.300 0.009 0.000 0.861 380 R HN 0.325 nan 8.270 nan 0.000 0.440 381 L N 0.069 121.303 121.223 0.018 0.000 2.083 381 L HA -0.181 4.158 4.340 -0.001 0.000 0.209 381 L C 2.667 179.556 176.870 0.033 0.000 1.083 381 L CA 1.258 56.112 54.840 0.023 0.000 0.752 381 L CB -0.626 41.444 42.059 0.018 0.000 0.899 381 L HN 0.260 nan 8.230 nan 0.000 0.433 382 A N 0.423 123.260 122.820 0.029 0.000 1.873 382 A HA -0.161 4.158 4.320 -0.001 0.000 0.215 382 A C 2.208 179.837 177.584 0.074 0.000 1.186 382 A CA 1.443 53.505 52.037 0.041 0.000 0.616 382 A CB -0.608 18.403 19.000 0.018 0.000 0.823 382 A HN 0.337 nan 8.150 nan 0.000 0.442 383 I N 0.021 120.623 120.570 0.053 0.000 2.226 383 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 383 I C 1.795 177.995 176.117 0.138 0.000 1.100 383 I CA 1.445 62.793 61.300 0.081 0.000 1.374 383 I CB -0.483 37.533 38.000 0.026 0.000 1.057 383 I HN 0.250 nan 8.210 nan 0.000 0.413 384 D N 0.434 120.885 120.400 0.085 0.000 2.149 384 D HA -0.149 4.490 4.640 -0.001 0.000 0.198 384 D C 2.219 178.564 176.300 0.075 0.000 0.990 384 D CA 1.593 55.636 54.000 0.072 0.000 0.839 384 D CB -0.385 40.441 40.800 0.044 0.000 0.948 384 D HN 0.283 nan 8.370 nan 0.000 0.460 385 T N 0.502 115.103 114.554 0.079 0.000 2.777 385 T HA -0.128 4.222 4.350 -0.001 0.000 0.266 385 T C 1.685 176.429 174.700 0.074 0.000 1.040 385 T CA 0.492 62.630 62.100 0.062 0.000 1.141 385 T CB -0.429 68.475 68.868 0.060 0.000 0.868 385 T HN 0.133 nan 8.240 nan 0.000 0.444 386 F N 2.317 122.265 119.950 -0.003 0.000 2.120 386 F HA -0.137 4.390 4.527 -0.001 0.000 0.300 386 F C 2.103 177.902 175.800 -0.002 0.000 1.095 386 F CA 1.405 59.403 58.000 -0.004 0.000 1.249 386 F CB -0.197 38.800 39.000 -0.006 0.000 0.995 386 F HN -0.005 nan 8.300 nan 0.000 0.480 387 K N -0.063 120.362 120.400 0.042 0.000 2.147 387 K HA -0.145 4.175 4.320 -0.001 0.000 0.205 387 K C 2.097 178.626 176.600 -0.118 0.000 1.049 387 K CA 1.499 57.761 56.287 -0.042 0.000 0.936 387 K CB -0.220 32.320 32.500 0.067 0.000 0.722 387 K HN 0.323 nan 8.250 nan 0.000 0.446 388 R N 0.809 121.262 120.500 -0.080 0.000 2.189 388 R HA -0.073 4.267 4.340 -0.001 0.000 0.218 388 R C 1.821 178.053 176.300 -0.115 0.000 1.074 388 R CA 0.965 57.022 56.100 -0.072 0.000 0.991 388 R CB -0.032 30.248 30.300 -0.034 0.000 0.883 388 R HN 0.253 nan 8.270 nan 0.000 0.457 389 R N 1.593 121.980 120.500 -0.188 0.000 2.388 389 R HA 0.107 4.446 4.340 -0.001 0.000 0.247 389 R C -0.491 175.646 176.300 -0.272 0.000 0.931 389 R CA -0.204 55.778 56.100 -0.196 0.000 1.082 389 R CB 0.022 30.221 30.300 -0.168 0.000 1.135 389 R HN -0.020 nan 8.270 nan 0.000 0.525 390 K N 0.917 121.127 120.400 -0.318 0.000 2.451 390 K HA 0.252 4.572 4.320 -0.001 0.000 0.280 390 K C 0.559 177.069 176.600 -0.150 0.000 1.020 390 K CA 0.493 56.613 56.287 -0.277 0.000 1.008 390 K CB 0.737 33.103 32.500 -0.223 0.000 0.917 390 K HN 0.275 nan 8.250 nan 0.000 0.478 391 G N 2.261 110.991 108.800 -0.117 0.000 2.241 391 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.244 391 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.244 391 G C -0.289 174.573 174.900 -0.063 0.000 0.998 391 G CA -0.117 44.940 45.100 -0.072 0.000 0.621 391 G HN 0.574 nan 8.290 nan 0.000 0.519 392 K N 2.440 122.792 120.400 -0.078 0.000 2.234 392 K HA 0.458 4.778 4.320 -0.001 0.000 0.282 392 K C -1.938 174.635 176.600 -0.046 0.000 1.039 392 K CA -1.299 54.954 56.287 -0.056 0.000 0.928 392 K CB 1.319 33.784 32.500 -0.059 0.000 1.039 392 K HN 0.206 nan 8.250 nan 0.000 0.470 393 P HA -0.002 nan 4.420 nan 0.000 0.269 393 P C -0.506 176.784 177.300 -0.017 0.000 1.209 393 P CA -0.326 62.763 63.100 -0.019 0.000 0.776 393 P CB 0.806 32.498 31.700 -0.013 0.000 0.876 394 V N -1.544 118.365 119.914 -0.009 0.000 3.126 394 V HA 0.585 4.705 4.120 -0.001 0.000 0.314 394 V C -0.421 175.674 176.094 0.001 0.000 1.138 394 V CA -0.930 61.368 62.300 -0.003 0.000 1.034 394 V CB 2.148 33.972 31.823 0.002 0.000 1.075 394 V HN 0.617 nan 8.190 nan 0.000 0.442 395 E N 1.528 121.731 120.200 0.004 0.000 2.593 395 E HA 0.489 4.838 4.350 -0.001 0.000 0.232 395 E C -1.338 175.266 176.600 0.005 0.000 1.026 395 E CA -0.518 55.884 56.400 0.004 0.000 0.772 395 E CB 1.040 30.741 29.700 0.003 0.000 1.310 395 E HN 0.766 nan 8.360 nan 0.000 0.413 396 I N 5.262 125.835 120.570 0.006 0.000 2.301 396 I HA 0.255 4.425 4.170 -0.001 0.000 0.292 396 I C -2.057 174.061 176.117 0.002 0.000 1.046 396 I CA -2.151 59.152 61.300 0.005 0.000 1.282 396 I CB 0.951 38.956 38.000 0.008 0.000 1.409 396 I HN 0.298 nan 8.210 nan 0.000 0.484 397 P HA -0.022 nan 4.420 nan 0.000 0.264 397 P C -0.319 176.979 177.300 -0.004 0.000 1.193 397 P CA -0.081 63.017 63.100 -0.003 0.000 0.763 397 P CB 0.368 32.065 31.700 -0.005 0.000 0.810 398 N N 3.410 122.108 118.700 -0.004 0.000 3.303 398 N HA 0.164 4.904 4.740 -0.001 0.000 0.304 398 N C -1.008 174.498 175.510 -0.006 0.000 1.302 398 N CA 0.076 53.124 53.050 -0.003 0.000 1.213 398 N CB -0.929 37.557 38.487 -0.002 0.000 1.481 398 N HN 0.293 nan 8.380 nan 0.000 0.546 399 I N 1.764 122.328 120.570 -0.009 0.000 2.468 399 I HA 0.330 4.500 4.170 -0.001 0.000 0.285 399 I C -0.631 175.477 176.117 -0.016 0.000 1.039 399 I CA -0.760 60.532 61.300 -0.014 0.000 1.074 399 I CB 1.461 39.449 38.000 -0.019 0.000 1.228 399 I HN 0.192 nan 8.210 nan 0.000 0.436 400 K N 3.117 123.508 120.400 -0.015 0.000 2.579 400 K HA 0.761 5.081 4.320 -0.001 0.000 0.284 400 K C -1.126 175.469 176.600 -0.009 0.000 0.990 400 K CA -0.842 55.438 56.287 -0.011 0.000 0.880 400 K CB 2.229 34.726 32.500 -0.004 0.000 1.488 400 K HN 0.459 nan 8.250 nan 0.000 0.425 401 T N -1.846 112.707 114.554 -0.002 0.000 2.924 401 T HA 0.403 4.752 4.350 -0.001 0.000 0.291 401 T C -0.644 174.069 174.700 0.021 0.000 1.045 401 T CA -1.013 61.091 62.100 0.007 0.000 1.015 401 T CB 1.732 70.607 68.868 0.012 0.000 1.103 401 T HN 0.658 nan 8.240 nan 0.000 0.496 402 K N 1.020 121.434 120.400 0.024 0.000 2.249 402 K HA 0.548 4.868 4.320 -0.001 0.000 0.280 402 K C -1.372 175.260 176.600 0.053 0.000 1.033 402 K CA -0.684 55.622 56.287 0.033 0.000 0.946 402 K CB 0.621 33.137 32.500 0.027 0.000 1.005 402 K HN 0.495 nan 8.250 nan 0.000 0.469 403 V N 5.012 124.964 119.914 0.063 0.000 2.482 403 V HA 0.225 4.345 4.120 -0.001 0.000 0.295 403 V C -0.711 175.441 176.094 0.096 0.000 1.026 403 V CA -1.003 61.354 62.300 0.095 0.000 0.856 403 V CB 1.684 33.572 31.823 0.109 0.000 1.001 403 V HN 0.553 nan 8.190 nan 0.000 0.424 404 V N 4.540 124.532 119.914 0.130 0.000 2.439 404 V HA 0.912 5.031 4.120 -0.001 0.000 0.282 404 V C 0.514 176.733 176.094 0.208 0.000 1.039 404 V CA 0.352 62.736 62.300 0.140 0.000 0.913 404 V CB 1.107 33.044 31.823 0.189 0.000 0.983 404 V HN 1.086 nan 8.190 nan 0.000 0.460 405 A N 3.147 125.999 122.820 0.053 0.000 2.733 405 A HA 0.891 5.211 4.320 -0.001 0.000 0.299 405 A C 0.795 178.160 177.584 -0.364 0.000 1.252 405 A CA -0.105 51.945 52.037 0.021 0.000 0.677 405 A CB 0.659 19.664 19.000 0.008 0.000 1.361 405 A HN 1.980 nan 8.150 nan 0.000 0.528 406 G N -1.968 106.626 108.800 -0.344 0.000 2.132 406 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.228 406 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.228 406 G C -0.164 174.471 174.900 -0.442 0.000 1.000 406 G CA 0.348 45.212 45.100 -0.394 0.000 0.693 406 G HN 0.879 nan 8.290 nan 0.000 0.515 407 F N 3.237 123.171 119.950 -0.026 0.000 2.640 407 F HA 0.410 4.937 4.527 -0.001 0.000 0.354 407 F C 1.628 177.429 175.800 0.002 0.000 1.213 407 F CA 0.012 58.016 58.000 0.006 0.000 1.314 407 F CB 0.035 39.058 39.000 0.039 0.000 1.679 407 F HN 0.303 nan 8.300 nan 0.000 0.622 408 S N -1.097 114.639 115.700 0.059 0.000 2.580 408 S HA -0.021 4.449 4.470 -0.001 0.000 0.261 408 S C 1.478 176.127 174.600 0.083 0.000 1.366 408 S CA -0.316 57.912 58.200 0.048 0.000 0.996 408 S CB 0.853 64.054 63.200 0.002 0.000 0.902 408 S HN 0.445 nan 8.310 nan 0.000 0.566 409 T N 1.530 116.115 114.554 0.052 0.000 2.788 409 T HA -0.085 4.265 4.350 -0.001 0.000 0.268 409 T C 1.583 176.318 174.700 0.057 0.000 1.044 409 T CA 1.925 64.058 62.100 0.056 0.000 1.139 409 T CB -0.548 68.339 68.868 0.031 0.000 0.867 409 T HN 0.743 nan 8.240 nan 0.000 0.454 410 E N 1.458 121.684 120.200 0.043 0.000 2.077 410 E HA -0.015 4.335 4.350 -0.001 0.000 0.193 410 E C 2.378 179.007 176.600 0.049 0.000 0.989 410 E CA 1.186 57.609 56.400 0.039 0.000 0.800 410 E CB -0.459 29.257 29.700 0.026 0.000 0.746 410 E HN 0.498 nan 8.360 nan 0.000 0.452 411 A N 0.515 123.369 122.820 0.055 0.000 1.930 411 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 411 A C 2.231 179.908 177.584 0.155 0.000 1.175 411 A CA 1.093 53.173 52.037 0.073 0.000 0.627 411 A CB -0.580 18.430 19.000 0.017 0.000 0.815 411 A HN 0.187 nan 8.150 nan 0.000 0.443 412 I N -0.375 120.305 120.570 0.184 0.000 2.226 412 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 412 I C 2.271 178.445 176.117 0.095 0.000 1.100 412 I CA 1.292 62.689 61.300 0.162 0.000 1.374 412 I CB -0.325 37.746 38.000 0.118 0.000 1.057 412 I HN 0.293 nan 8.210 nan 0.000 0.413 413 I N 0.873 121.486 120.570 0.073 0.000 2.226 413 I HA -0.321 3.849 4.170 -0.001 0.000 0.245 413 I C 2.342 178.489 176.117 0.050 0.000 1.100 413 I CA 1.679 63.010 61.300 0.051 0.000 1.374 413 I CB -0.515 37.510 38.000 0.042 0.000 1.057 413 I HN 0.329 nan 8.210 nan 0.000 0.413 414 N N 1.213 119.945 118.700 0.055 0.000 2.120 414 N HA -0.168 4.572 4.740 -0.001 0.000 0.188 414 N C 1.828 177.372 175.510 0.056 0.000 1.024 414 N CA 1.651 54.729 53.050 0.047 0.000 0.852 414 N CB -0.093 38.418 38.487 0.040 0.000 1.003 414 N HN 0.312 nan 8.380 nan 0.000 0.424 415 A N 0.508 123.377 122.820 0.082 0.000 1.908 415 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 415 A C 2.282 179.901 177.584 0.058 0.000 1.181 415 A CA 1.203 53.292 52.037 0.088 0.000 0.627 415 A CB -0.888 18.195 19.000 0.138 0.000 0.818 415 A HN 0.389 nan 8.150 nan 0.000 0.445 416 L N 0.463 121.716 121.223 0.050 0.000 2.141 416 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 416 L C 2.875 179.762 176.870 0.029 0.000 1.094 416 L CA 1.344 56.204 54.840 0.034 0.000 0.763 416 L CB -0.386 41.690 42.059 0.029 0.000 0.908 416 L HN 0.611 nan 8.230 nan 0.000 0.437 417 S N -0.744 114.974 115.700 0.031 0.000 2.469 417 S HA -0.125 4.345 4.470 -0.001 0.000 0.238 417 S C 1.850 176.463 174.600 0.023 0.000 0.998 417 S CA 0.544 58.759 58.200 0.025 0.000 0.957 417 S CB -0.194 63.021 63.200 0.024 0.000 0.764 417 S HN 0.270 nan 8.310 nan 0.000 0.514 418 K N 1.281 121.697 120.400 0.026 0.000 2.362 418 K HA 0.203 4.523 4.320 -0.001 0.000 0.200 418 K C 1.701 178.313 176.600 0.020 0.000 1.046 418 K CA 0.632 56.933 56.287 0.024 0.000 0.952 418 K CB -0.534 31.982 32.500 0.028 0.000 0.753 418 K HN 0.492 nan 8.250 nan 0.000 0.466 419 L N -0.232 121.003 121.223 0.020 0.000 2.463 419 L HA 0.116 4.456 4.340 -0.001 0.000 0.219 419 L C 0.529 177.408 176.870 0.014 0.000 1.088 419 L CA 0.024 54.874 54.840 0.016 0.000 0.849 419 L CB 0.155 42.223 42.059 0.016 0.000 1.012 419 L HN 0.043 nan 8.230 nan 0.000 0.468 420 N N -0.257 118.452 118.700 0.015 0.000 2.747 420 N HA 0.232 4.972 4.740 -0.001 0.000 0.262 420 N C 0.214 175.733 175.510 0.014 0.000 1.261 420 N CA 0.281 53.339 53.050 0.013 0.000 0.809 420 N CB 1.614 40.109 38.487 0.013 0.000 1.450 420 N HN -0.012 nan 8.380 nan 0.000 0.560 421 A N 2.783 125.611 122.820 0.012 0.000 1.902 421 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 421 A C 1.348 178.939 177.584 0.012 0.000 1.181 421 A CA 1.178 53.222 52.037 0.012 0.000 0.623 421 A CB -0.040 18.966 19.000 0.011 0.000 0.818 421 A HN 0.659 nan 8.150 nan 0.000 0.443 422 N N -0.524 118.182 118.700 0.010 0.000 2.236 422 N HA 0.051 4.790 4.740 -0.001 0.000 0.196 422 N C -0.723 174.793 175.510 0.010 0.000 1.114 422 N CA 0.380 53.435 53.050 0.009 0.000 0.859 422 N CB 0.642 39.133 38.487 0.007 0.000 0.982 422 N HN 0.382 nan 8.380 nan 0.000 0.493 423 D N -0.296 120.110 120.400 0.011 0.000 2.846 423 D HA 0.224 4.864 4.640 -0.001 0.000 0.279 423 D C -2.102 174.207 176.300 0.013 0.000 1.222 423 D CA -1.565 52.442 54.000 0.011 0.000 0.769 423 D CB 1.128 41.934 40.800 0.010 0.000 1.299 423 D HN -0.101 nan 8.370 nan 0.000 0.537 424 P HA -0.025 nan 4.420 nan 0.000 0.218 424 P C 1.700 179.011 177.300 0.019 0.000 1.149 424 P CA 0.632 63.743 63.100 0.019 0.000 0.817 424 P CB 0.417 32.130 31.700 0.023 0.000 0.785 425 L N -0.619 120.615 121.223 0.017 0.000 2.376 425 L HA -0.055 4.285 4.340 -0.001 0.000 0.219 425 L C 2.533 179.412 176.870 0.014 0.000 1.133 425 L CA 1.004 55.854 54.840 0.017 0.000 0.816 425 L CB -0.665 41.404 42.059 0.016 0.000 0.933 425 L HN -0.017 nan 8.230 nan 0.000 0.449 426 K N 0.857 121.265 120.400 0.013 0.000 2.057 426 K HA -0.150 4.170 4.320 -0.001 0.000 0.207 426 K C -0.566 176.041 176.600 0.012 0.000 1.049 426 K CA 1.319 57.613 56.287 0.012 0.000 0.931 426 K CB -0.662 31.845 32.500 0.011 0.000 0.714 426 K HN 0.167 nan 8.250 nan 0.000 0.440 427 P HA -0.172 nan 4.420 nan 0.000 0.216 427 P C 1.411 178.718 177.300 0.011 0.000 1.150 427 P CA 0.887 63.994 63.100 0.012 0.000 0.837 427 P CB -0.047 31.660 31.700 0.012 0.000 0.786 428 L N -0.400 120.830 121.223 0.011 0.000 2.017 428 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 428 L C 2.354 179.230 176.870 0.010 0.000 1.073 428 L CA 1.732 56.577 54.840 0.009 0.000 0.745 428 L CB -1.336 40.727 42.059 0.008 0.000 0.894 428 L HN -0.178 nan 8.230 nan 0.000 0.432 429 I N -0.323 120.254 120.570 0.012 0.000 2.286 429 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 429 I C 2.031 178.157 176.117 0.014 0.000 1.115 429 I CA 1.182 62.490 61.300 0.013 0.000 1.392 429 I CB -0.645 37.363 38.000 0.013 0.000 1.065 429 I HN 0.277 nan 8.210 nan 0.000 0.418 430 D N 1.002 121.410 120.400 0.013 0.000 2.133 430 D HA -0.188 4.452 4.640 -0.001 0.000 0.195 430 D C 1.843 178.153 176.300 0.015 0.000 0.997 430 D CA 1.267 55.275 54.000 0.014 0.000 0.840 430 D CB -0.444 40.364 40.800 0.012 0.000 0.947 430 D HN 0.373 nan 8.370 nan 0.000 0.452 431 N N 0.117 118.825 118.700 0.014 0.000 2.409 431 N HA -0.053 4.687 4.740 -0.001 0.000 0.179 431 N C 1.929 177.450 175.510 0.019 0.000 1.032 431 N CA 0.152 53.211 53.050 0.015 0.000 0.898 431 N CB 0.424 38.918 38.487 0.012 0.000 0.971 431 N HN 0.075 nan 8.380 nan 0.000 0.441 432 V N 0.889 120.814 119.914 0.019 0.000 2.358 432 V HA -0.149 3.971 4.120 -0.001 0.000 0.246 432 V C 2.439 178.551 176.094 0.031 0.000 1.047 432 V CA 1.127 63.442 62.300 0.024 0.000 1.035 432 V CB -0.364 31.471 31.823 0.020 0.000 0.658 432 V HN 0.027 nan 8.190 nan 0.000 0.452 433 V N 2.129 122.059 119.914 0.027 0.000 2.358 433 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 433 V C 2.170 178.282 176.094 0.031 0.000 1.047 433 V CA 2.169 64.487 62.300 0.031 0.000 1.035 433 V CB -0.949 30.889 31.823 0.025 0.000 0.658 433 V HN 0.898 nan 8.190 nan 0.000 0.452 434 N N 0.551 119.266 118.700 0.025 0.000 2.461 434 N HA 0.133 4.873 4.740 -0.001 0.000 0.188 434 N C 1.315 176.840 175.510 0.025 0.000 1.134 434 N CA 1.090 54.153 53.050 0.022 0.000 0.878 434 N CB 0.318 38.815 38.487 0.016 0.000 0.972 434 N HN 0.481 nan 8.380 nan 0.000 0.456 435 G N -0.039 108.781 108.800 0.032 0.000 2.175 435 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.244 435 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.244 435 G C 0.775 175.694 174.900 0.032 0.000 0.982 435 G CA 0.290 45.413 45.100 0.039 0.000 0.641 435 G HN 0.517 nan 8.290 nan 0.000 0.527 436 N N -0.430 118.285 118.700 0.024 0.000 2.289 436 N HA 0.052 4.792 4.740 -0.001 0.000 0.184 436 N C 0.311 175.834 175.510 0.022 0.000 1.016 436 N CA 0.814 53.876 53.050 0.021 0.000 0.872 436 N CB 0.092 38.589 38.487 0.015 0.000 0.973 436 N HN 0.343 nan 8.380 nan 0.000 0.433 437 I N 0.665 121.249 120.570 0.023 0.000 2.382 437 I HA 0.145 4.315 4.170 -0.001 0.000 0.286 437 I C 1.020 177.155 176.117 0.029 0.000 1.002 437 I CA -0.200 61.113 61.300 0.022 0.000 1.135 437 I CB 1.634 39.642 38.000 0.014 0.000 1.288 437 I HN 0.031 nan 8.210 nan 0.000 0.448 438 R N 4.325 124.846 120.500 0.034 0.000 2.073 438 R HA 0.131 4.471 4.340 -0.001 0.000 0.229 438 R C 0.802 177.120 176.300 0.030 0.000 1.120 438 R CA 1.298 57.425 56.100 0.045 0.000 0.967 438 R CB 0.434 30.766 30.300 0.053 0.000 0.862 438 R HN 0.858 nan 8.270 nan 0.000 0.436 439 G N -1.458 107.350 108.800 0.013 0.000 2.428 439 G HA2 0.359 4.319 3.960 -0.001 0.000 0.305 439 G HA3 0.359 4.319 3.960 -0.001 0.000 0.305 439 G C -1.879 173.011 174.900 -0.016 0.000 1.260 439 G CA -0.606 44.491 45.100 -0.005 0.000 0.853 439 G HN -0.001 nan 8.290 nan 0.000 0.480 440 V N -0.519 119.375 119.914 -0.033 0.000 2.656 440 V HA 0.636 4.755 4.120 -0.001 0.000 0.307 440 V C -0.630 175.412 176.094 -0.087 0.000 1.051 440 V CA -0.700 61.573 62.300 -0.045 0.000 0.893 440 V CB 1.413 33.216 31.823 -0.033 0.000 0.999 440 V HN 1.036 nan 8.190 nan 0.000 0.426 441 C N 6.413 125.639 119.300 -0.123 0.000 2.396 441 C HA 0.751 5.210 4.460 -0.001 0.000 0.321 441 C C -0.615 174.215 174.990 -0.267 0.000 1.233 441 C CA -0.663 58.208 59.018 -0.246 0.000 1.440 441 C CB 0.628 28.150 27.740 -0.364 0.000 2.110 441 C HN 0.876 nan 8.230 nan 0.000 0.473 442 L N 6.549 127.620 121.223 -0.253 0.000 2.260 442 L HA 0.627 4.967 4.340 -0.001 0.000 0.289 442 L C -0.993 175.728 176.870 -0.249 0.000 1.057 442 L CA 0.267 55.008 54.840 -0.164 0.000 0.811 442 L CB 0.139 42.154 42.059 -0.073 0.000 1.184 442 L HN 0.600 nan 8.230 nan 0.000 0.429 443 F N 4.810 124.781 119.950 0.034 0.000 2.404 443 F HA 0.724 5.251 4.527 -0.001 0.000 0.345 443 F C 0.681 176.517 175.800 0.059 0.000 1.110 443 F CA 0.209 58.270 58.000 0.102 0.000 1.130 443 F CB 1.298 40.357 39.000 0.099 0.000 1.129 443 F HN 0.710 nan 8.300 nan 0.000 0.500 444 A N 1.944 124.963 122.820 0.332 0.000 2.569 444 A HA 0.903 5.222 4.320 -0.001 0.000 0.290 444 A C -0.006 177.736 177.584 0.264 0.000 1.136 444 A CA -0.230 51.915 52.037 0.180 0.000 0.710 444 A CB 1.105 20.142 19.000 0.062 0.000 1.303 444 A HN 1.550 nan 8.150 nan 0.000 0.413 445 G N -1.420 107.485 108.800 0.174 0.000 2.681 445 G HA2 0.078 4.038 3.960 -0.001 0.000 0.220 445 G HA3 0.078 4.038 3.960 -0.001 0.000 0.220 445 G C 0.230 175.286 174.900 0.260 0.000 1.353 445 G CA -0.395 44.824 45.100 0.198 0.000 0.872 445 G HN 1.825 nan 8.290 nan 0.000 0.557 446 C N 0.335 119.779 119.300 0.241 0.000 2.411 446 C HA 0.688 5.147 4.460 -0.001 0.000 0.358 446 C C 0.859 176.026 174.990 0.294 0.000 1.349 446 C CA -0.901 58.245 59.018 0.214 0.000 2.326 446 C CB 0.590 28.421 27.740 0.151 0.000 2.166 446 C HN 0.800 nan 8.230 nan 0.000 0.609 447 N N 2.007 120.835 118.700 0.214 0.000 2.476 447 N HA 0.343 5.083 4.740 -0.001 0.000 0.275 447 N C -0.842 174.698 175.510 0.051 0.000 1.190 447 N CA -0.092 53.059 53.050 0.168 0.000 0.977 447 N CB 0.745 39.331 38.487 0.164 0.000 1.200 447 N HN 0.693 nan 8.380 nan 0.000 0.515 448 N N 0.155 118.851 118.700 -0.007 0.000 2.336 448 N HA 0.075 4.814 4.740 -0.001 0.000 0.290 448 N C 0.215 175.628 175.510 -0.162 0.000 1.058 448 N CA -0.404 52.587 53.050 -0.097 0.000 0.865 448 N CB 1.871 40.300 38.487 -0.096 0.000 1.581 448 N HN 0.171 nan 8.380 nan 0.000 0.480 449 V N 4.263 123.987 119.914 -0.318 0.000 2.828 449 V HA -0.136 3.984 4.120 -0.001 0.000 0.260 449 V C 1.842 177.657 176.094 -0.465 0.000 1.101 449 V CA 1.829 63.853 62.300 -0.460 0.000 1.123 449 V CB -0.291 31.114 31.823 -0.697 0.000 0.704 449 V HN 0.623 nan 8.190 nan 0.000 0.493 450 K N -0.743 119.384 120.400 -0.455 0.000 2.365 450 K HA 0.049 4.368 4.320 -0.001 0.000 0.199 450 K C 0.394 176.978 176.600 -0.026 0.000 1.045 450 K CA 0.378 56.493 56.287 -0.287 0.000 0.962 450 K CB 0.227 32.626 32.500 -0.168 0.000 0.759 450 K HN 0.369 nan 8.250 nan 0.000 0.469 451 V N 2.704 122.609 119.914 -0.015 0.000 2.459 451 V HA 0.196 4.315 4.120 -0.001 0.000 0.295 451 V C -2.469 173.690 176.094 0.107 0.000 1.029 451 V CA -2.535 59.785 62.300 0.033 0.000 0.874 451 V CB 1.492 33.304 31.823 -0.019 0.000 0.985 451 V HN -0.043 nan 8.190 nan 0.000 0.438 452 P HA -0.020 nan 4.420 nan 0.000 0.261 452 P C -0.260 177.126 177.300 0.143 0.000 1.183 452 P CA 0.246 63.431 63.100 0.142 0.000 0.761 452 P CB 0.240 31.984 31.700 0.074 0.000 0.785 453 Q N 3.680 123.619 119.800 0.231 0.000 2.263 453 Q HA -0.102 4.238 4.340 -0.001 0.000 0.289 453 Q C 0.036 176.143 176.000 0.179 0.000 1.061 453 Q CA 0.642 56.596 55.803 0.250 0.000 0.927 453 Q CB -0.090 28.872 28.738 0.373 0.000 1.154 453 Q HN 0.485 nan 8.270 nan 0.000 0.378 454 D N 1.699 122.203 120.400 0.174 0.000 2.748 454 D HA -0.276 4.364 4.640 -0.001 0.000 0.189 454 D C 0.867 177.157 176.300 -0.016 0.000 0.982 454 D CA 1.443 55.527 54.000 0.141 0.000 1.017 454 D CB -0.800 40.052 40.800 0.086 0.000 1.076 454 D HN 0.827 nan 8.370 nan 0.000 0.446 455 Q N 0.453 120.238 119.800 -0.026 0.000 2.124 455 Q HA -0.171 4.169 4.340 -0.001 0.000 0.202 455 Q C 1.661 177.604 176.000 -0.095 0.000 0.977 455 Q CA 1.871 57.633 55.803 -0.067 0.000 0.850 455 Q CB 0.084 28.806 28.738 -0.025 0.000 0.901 455 Q HN 0.300 nan 8.270 nan 0.000 0.429 456 N N -0.324 118.298 118.700 -0.131 0.000 2.171 456 N HA -0.079 4.661 4.740 -0.001 0.000 0.184 456 N C 1.441 176.804 175.510 -0.245 0.000 1.021 456 N CA 1.078 54.020 53.050 -0.179 0.000 0.854 456 N CB -0.464 37.887 38.487 -0.226 0.000 0.994 456 N HN 0.242 nan 8.380 nan 0.000 0.426 457 F N 1.254 121.052 119.950 -0.254 0.000 2.095 457 F HA -0.221 4.306 4.527 -0.001 0.000 0.298 457 F C 2.676 178.076 175.800 -0.666 0.000 1.104 457 F CA 1.640 59.304 58.000 -0.560 0.000 1.232 457 F CB -0.727 37.942 39.000 -0.551 0.000 0.987 457 F HN 0.163 nan 8.300 nan 0.000 0.475 458 T N -4.060 110.313 114.554 -0.303 0.000 2.896 458 T HA -0.100 4.250 4.350 -0.001 0.000 0.263 458 T C 1.818 176.428 174.700 -0.150 0.000 1.050 458 T CA 1.533 63.408 62.100 -0.376 0.000 1.140 458 T CB -0.860 67.853 68.868 -0.258 0.000 0.877 458 T HN 0.137 nan 8.240 nan 0.000 0.457 459 T N 2.312 116.803 114.554 -0.105 0.000 2.708 459 T HA 0.104 4.454 4.350 -0.001 0.000 0.266 459 T C 1.910 176.603 174.700 -0.011 0.000 1.037 459 T CA 1.396 63.477 62.100 -0.033 0.000 1.146 459 T CB -0.434 68.413 68.868 -0.034 0.000 0.865 459 T HN 0.395 nan 8.240 nan 0.000 0.435 460 I N 1.263 121.814 120.570 -0.032 0.000 2.202 460 I HA -0.128 4.042 4.170 -0.001 0.000 0.242 460 I C 2.938 179.146 176.117 0.152 0.000 1.091 460 I CA 1.063 62.407 61.300 0.075 0.000 1.368 460 I CB -0.501 37.602 38.000 0.171 0.000 1.058 460 I HN 0.176 nan 8.210 nan 0.000 0.410 461 A N 0.930 123.747 122.820 -0.004 0.000 1.902 461 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 461 A C 2.402 180.096 177.584 0.184 0.000 1.181 461 A CA 1.466 53.551 52.037 0.081 0.000 0.623 461 A CB -0.579 18.198 19.000 -0.372 0.000 0.818 461 A HN 0.303 nan 8.150 nan 0.000 0.443 462 R N -0.669 119.943 120.500 0.186 0.000 2.091 462 R HA -0.173 4.166 4.340 -0.001 0.000 0.238 462 R C 2.328 178.713 176.300 0.141 0.000 1.136 462 R CA 1.800 58.035 56.100 0.226 0.000 0.959 462 R CB -0.242 30.171 30.300 0.189 0.000 0.856 462 R HN 0.485 nan 8.270 nan 0.000 0.437 463 K N 1.093 121.558 120.400 0.108 0.000 2.057 463 K HA -0.080 4.239 4.320 -0.001 0.000 0.207 463 K C 1.895 178.548 176.600 0.088 0.000 1.049 463 K CA 1.247 57.582 56.287 0.081 0.000 0.931 463 K CB -0.174 32.361 32.500 0.058 0.000 0.714 463 K HN 0.092 nan 8.250 nan 0.000 0.440 464 L N 0.215 121.507 121.223 0.114 0.000 2.056 464 L HA -0.121 4.219 4.340 -0.001 0.000 0.207 464 L C 2.307 179.239 176.870 0.103 0.000 1.078 464 L CA 0.969 55.870 54.840 0.103 0.000 0.749 464 L CB -0.458 41.676 42.059 0.124 0.000 0.901 464 L HN 0.167 nan 8.230 nan 0.000 0.433 465 L N -0.383 120.921 121.223 0.135 0.000 2.083 465 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 465 L C 2.662 179.581 176.870 0.081 0.000 1.083 465 L CA 1.003 55.914 54.840 0.117 0.000 0.752 465 L CB -0.489 41.664 42.059 0.157 0.000 0.899 465 L HN 0.184 nan 8.230 nan 0.000 0.433 466 K N -0.117 120.329 120.400 0.078 0.000 2.211 466 K HA -0.101 4.219 4.320 -0.001 0.000 0.203 466 K C 1.583 178.213 176.600 0.050 0.000 1.050 466 K CA 0.895 57.215 56.287 0.055 0.000 0.945 466 K CB -0.038 32.492 32.500 0.051 0.000 0.732 466 K HN 0.348 nan 8.250 nan 0.000 0.451 467 Q N 0.724 120.558 119.800 0.056 0.000 2.222 467 Q HA 0.074 4.413 4.340 -0.001 0.000 0.206 467 Q C -0.454 175.577 176.000 0.051 0.000 0.877 467 Q CA -0.106 55.729 55.803 0.054 0.000 0.958 467 Q CB 0.199 28.971 28.738 0.057 0.000 1.075 467 Q HN 0.219 nan 8.270 nan 0.000 0.483 468 N N -0.607 118.122 118.700 0.048 0.000 2.776 468 N HA -0.137 4.603 4.740 -0.001 0.000 0.250 468 N C -0.634 174.899 175.510 0.038 0.000 1.112 468 N CA 0.403 53.478 53.050 0.041 0.000 0.733 468 N CB -1.752 36.757 38.487 0.036 0.000 1.097 468 N HN 0.042 nan 8.380 nan 0.000 0.558 469 V N 1.314 121.254 119.914 0.044 0.000 2.530 469 V HA 0.200 4.320 4.120 -0.001 0.000 0.282 469 V C 0.941 177.055 176.094 0.033 0.000 1.048 469 V CA -0.713 61.606 62.300 0.031 0.000 0.997 469 V CB 1.503 33.342 31.823 0.027 0.000 0.987 469 V HN 0.223 nan 8.190 nan 0.000 0.477 470 L N 7.261 128.492 121.223 0.014 0.000 2.433 470 L HA 0.323 4.663 4.340 -0.001 0.000 0.275 470 L C -0.168 176.708 176.870 0.010 0.000 1.128 470 L CA 0.762 55.606 54.840 0.007 0.000 0.875 470 L CB 0.771 42.825 42.059 -0.009 0.000 1.171 470 L HN 0.451 nan 8.230 nan 0.000 0.463 471 V N 6.425 126.364 119.914 0.041 0.000 2.398 471 V HA 0.572 4.691 4.120 -0.001 0.000 0.286 471 V C -0.065 176.068 176.094 0.064 0.000 1.026 471 V CA -0.441 61.905 62.300 0.076 0.000 0.868 471 V CB 1.578 33.521 31.823 0.200 0.000 0.982 471 V HN 0.669 nan 8.190 nan 0.000 0.443 472 V N 2.031 121.975 119.914 0.051 0.000 2.960 472 V HA 1.097 5.216 4.120 -0.001 0.000 0.315 472 V C -0.209 175.940 176.094 0.092 0.000 1.087 472 V CA -0.709 61.626 62.300 0.058 0.000 0.982 472 V CB 1.803 33.648 31.823 0.038 0.000 1.039 472 V HN 1.231 nan 8.190 nan 0.000 0.437 473 A N 1.937 124.807 122.820 0.083 0.000 2.594 473 A HA 0.990 5.309 4.320 -0.001 0.000 0.295 473 A C -0.323 177.269 177.584 0.015 0.000 1.071 473 A CA -0.019 52.043 52.037 0.042 0.000 0.685 473 A CB 1.857 20.824 19.000 -0.055 0.000 1.285 473 A HN 2.026 nan 8.150 nan 0.000 0.405 474 T N -1.631 112.919 114.554 -0.008 0.000 2.865 474 T HA 0.839 5.189 4.350 -0.001 0.000 0.294 474 T C 0.843 175.523 174.700 -0.034 0.000 1.119 474 T CA 0.428 62.551 62.100 0.038 0.000 1.007 474 T CB 0.955 69.883 68.868 0.100 0.000 1.225 474 T HN 2.681 nan 8.240 nan 0.000 0.515 475 G N -0.076 108.752 108.800 0.047 0.000 2.614 475 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.303 475 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.303 475 G C 1.107 175.951 174.900 -0.093 0.000 1.270 475 G CA 0.311 45.436 45.100 0.042 0.000 0.988 475 G HN 1.395 nan 8.290 nan 0.000 0.551 476 C N 1.641 120.897 119.300 -0.073 0.000 2.562 476 C HA 0.372 4.832 4.460 -0.001 0.000 0.266 476 C C 2.902 177.600 174.990 -0.487 0.000 1.382 476 C CA 0.938 59.834 59.018 -0.203 0.000 1.742 476 C CB -1.352 26.399 27.740 0.018 0.000 1.812 476 C HN 1.046 nan 8.230 nan 0.000 0.559 477 G N 1.013 109.470 108.800 -0.572 0.000 2.394 477 G HA2 0.001 3.960 3.960 -0.001 0.000 0.214 477 G HA3 0.001 3.960 3.960 -0.001 0.000 0.214 477 G C 1.890 176.267 174.900 -0.872 0.000 1.176 477 G CA 0.896 45.249 45.100 -1.245 0.000 0.786 477 G HN 0.542 nan 8.290 nan 0.000 0.533 478 A N 0.968 123.449 122.820 -0.566 0.000 1.917 478 A HA 0.079 4.398 4.320 -0.001 0.000 0.219 478 A C 2.689 179.898 177.584 -0.625 0.000 1.182 478 A CA 2.260 53.921 52.037 -0.628 0.000 0.633 478 A CB -1.136 17.292 19.000 -0.952 0.000 0.819 478 A HN 0.556 nan 8.150 nan 0.000 0.448 479 G N -0.608 107.748 108.800 -0.740 0.000 2.421 479 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.216 479 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.216 479 G C 1.776 176.293 174.900 -0.637 0.000 1.171 479 G CA 1.568 45.960 45.100 -1.180 0.000 0.775 479 G HN 0.833 nan 8.290 nan 0.000 0.543 480 A N 0.575 123.069 122.820 -0.542 0.000 1.877 480 A HA 0.064 4.383 4.320 -0.001 0.000 0.216 480 A C 2.462 179.960 177.584 -0.143 0.000 1.186 480 A CA 1.428 53.307 52.037 -0.263 0.000 0.620 480 A CB -0.460 18.297 19.000 -0.404 0.000 0.822 480 A HN 0.355 nan 8.150 nan 0.000 0.443 481 L N -0.424 120.580 121.223 -0.365 0.000 2.093 481 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 481 L C 2.942 179.843 176.870 0.053 0.000 1.085 481 L CA 1.647 56.329 54.840 -0.264 0.000 0.755 481 L CB -0.618 41.179 42.059 -0.437 0.000 0.904 481 L HN 0.706 nan 8.230 nan 0.000 0.435 482 M N -0.761 118.807 119.600 -0.053 0.000 2.117 482 M HA -0.189 4.291 4.480 -0.001 0.000 0.262 482 M C 2.138 178.477 176.300 0.066 0.000 1.065 482 M CA 1.774 57.098 55.300 0.040 0.000 1.114 482 M CB -0.567 32.049 32.600 0.026 0.000 1.361 482 M HN 0.009 nan 8.290 nan 0.000 0.408 483 R N -0.512 120.001 120.500 0.021 0.000 2.280 483 R HA 0.012 4.352 4.340 -0.001 0.000 0.207 483 R C 0.928 177.100 176.300 -0.214 0.000 1.043 483 R CA 0.658 56.717 56.100 -0.068 0.000 1.006 483 R CB -0.218 30.033 30.300 -0.082 0.000 0.885 483 R HN 0.635 nan 8.270 nan 0.000 0.467 484 H N -1.237 117.921 119.070 0.147 0.000 2.528 484 H HA 0.182 4.737 4.556 -0.001 0.000 0.282 484 H C 0.952 176.393 175.328 0.189 0.000 1.097 484 H CA 0.642 56.814 56.048 0.208 0.000 1.121 484 H CB 1.340 31.292 29.762 0.317 0.000 1.590 484 H HN 0.420 nan 8.280 nan 0.000 0.553 485 G N 0.911 109.828 108.800 0.195 0.000 2.157 485 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.239 485 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.239 485 G C 0.545 175.447 174.900 0.002 0.000 0.982 485 G CA -0.001 45.128 45.100 0.049 0.000 0.650 485 G HN 0.323 nan 8.290 nan 0.000 0.527 486 F N -0.182 119.785 119.950 0.030 0.000 2.748 486 F HA 0.427 4.954 4.527 -0.000 0.000 0.299 486 F C 2.255 178.069 175.800 0.024 0.000 1.154 486 F CA 1.023 59.033 58.000 0.018 0.000 1.446 486 F CB 0.159 39.155 39.000 -0.007 0.000 1.112 486 F HN 0.201 nan 8.300 nan 0.000 0.584 487 M N -0.868 118.839 119.600 0.179 0.000 2.475 487 M HA 0.127 4.606 4.480 -0.001 0.000 0.283 487 M C -0.390 175.978 176.300 0.114 0.000 1.165 487 M CA 0.046 55.437 55.300 0.152 0.000 0.976 487 M CB 0.025 32.728 32.600 0.171 0.000 1.428 487 M HN -0.249 nan 8.290 nan 0.000 0.495 488 D N 0.246 120.687 120.400 0.068 0.000 2.349 488 D HA 0.298 4.938 4.640 -0.001 0.000 0.232 488 D C -2.008 174.308 176.300 0.026 0.000 1.071 488 D CA -2.161 51.865 54.000 0.043 0.000 0.832 488 D CB 2.064 42.874 40.800 0.018 0.000 1.086 488 D HN -0.069 nan 8.370 nan 0.000 0.504 489 P HA -0.054 nan 4.420 nan 0.000 0.225 489 P C 0.930 178.235 177.300 0.008 0.000 1.148 489 P CA 0.684 63.801 63.100 0.029 0.000 0.779 489 P CB 0.151 31.878 31.700 0.044 0.000 0.780 490 A N -0.284 122.537 122.820 0.003 0.000 2.125 490 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 490 A C 1.737 179.306 177.584 -0.026 0.000 1.156 490 A CA 1.411 53.443 52.037 -0.008 0.000 0.671 490 A CB -1.468 17.528 19.000 -0.008 0.000 0.794 490 A HN 0.294 nan 8.150 nan 0.000 0.459 491 N N -0.855 117.819 118.700 -0.043 0.000 2.270 491 N HA 0.148 4.888 4.740 -0.001 0.000 0.198 491 N C 1.001 176.467 175.510 -0.073 0.000 1.117 491 N CA 0.078 53.081 53.050 -0.080 0.000 0.845 491 N CB 0.486 38.887 38.487 -0.142 0.000 0.980 491 N HN 0.199 nan 8.380 nan 0.000 0.486 492 V N 1.396 121.287 119.914 -0.038 0.000 2.332 492 V HA -0.261 3.859 4.120 -0.001 0.000 0.248 492 V C 1.656 177.736 176.094 -0.023 0.000 1.055 492 V CA 1.736 64.021 62.300 -0.025 0.000 1.038 492 V CB -0.292 31.526 31.823 -0.007 0.000 0.651 492 V HN 0.371 nan 8.190 nan 0.000 0.450 493 D N -0.424 119.963 120.400 -0.021 0.000 2.123 493 D HA -0.216 4.423 4.640 -0.001 0.000 0.196 493 D C 2.136 178.422 176.300 -0.023 0.000 0.992 493 D CA 1.579 55.569 54.000 -0.017 0.000 0.833 493 D CB -0.169 40.622 40.800 -0.014 0.000 0.954 493 D HN 0.619 nan 8.370 nan 0.000 0.455 494 E N 0.340 120.516 120.200 -0.039 0.000 2.072 494 E HA -0.116 4.233 4.350 -0.001 0.000 0.191 494 E C 2.179 178.751 176.600 -0.047 0.000 0.985 494 E CA 0.583 56.955 56.400 -0.046 0.000 0.801 494 E CB 0.060 29.719 29.700 -0.068 0.000 0.750 494 E HN 0.236 nan 8.360 nan 0.000 0.452 495 L N 0.101 121.286 121.223 -0.064 0.000 2.354 495 L HA 0.128 4.468 4.340 -0.001 0.000 0.212 495 L C 0.761 177.634 176.870 0.006 0.000 1.091 495 L CA -0.229 54.580 54.840 -0.052 0.000 0.828 495 L CB 0.638 42.625 42.059 -0.120 0.000 0.973 495 L HN 0.158 nan 8.230 nan 0.000 0.461 496 C N 0.495 119.798 119.300 0.005 0.000 2.358 496 C HA 0.612 5.071 4.460 -0.001 0.000 0.342 496 C C 1.172 176.175 174.990 0.021 0.000 1.234 496 C CA -1.388 57.645 59.018 0.024 0.000 1.969 496 C CB 0.646 28.398 27.740 0.019 0.000 2.346 496 C HN 0.434 nan 8.230 nan 0.000 0.525 497 G N 1.617 110.435 108.800 0.030 0.000 2.664 497 G HA2 0.145 4.105 3.960 -0.001 0.000 0.242 497 G HA3 0.145 4.105 3.960 -0.001 0.000 0.242 497 G C 0.447 175.359 174.900 0.019 0.000 1.225 497 G CA -0.006 45.109 45.100 0.025 0.000 0.849 497 G HN 0.814 nan 8.290 nan 0.000 0.581 498 D N 0.708 121.117 120.400 0.015 0.000 2.144 498 D HA -0.093 4.547 4.640 -0.001 0.000 0.199 498 D C 2.554 178.861 176.300 0.012 0.000 0.984 498 D CA 1.553 55.560 54.000 0.012 0.000 0.834 498 D CB -0.452 40.353 40.800 0.009 0.000 0.955 498 D HN 0.453 nan 8.370 nan 0.000 0.465 499 G N 0.832 109.641 108.800 0.015 0.000 2.404 499 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.215 499 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.215 499 G C 1.588 176.497 174.900 0.015 0.000 1.174 499 G CA 0.626 45.736 45.100 0.015 0.000 0.780 499 G HN 0.266 nan 8.290 nan 0.000 0.537 500 L N 0.892 122.126 121.223 0.018 0.000 2.046 500 L HA 0.073 4.412 4.340 -0.001 0.000 0.208 500 L C 2.642 179.518 176.870 0.010 0.000 1.077 500 L CA 2.558 57.408 54.840 0.015 0.000 0.747 500 L CB -0.582 41.491 42.059 0.023 0.000 0.896 500 L HN 0.279 nan 8.230 nan 0.000 0.432 501 K N -0.568 119.838 120.400 0.011 0.000 2.063 501 K HA -0.192 4.127 4.320 -0.001 0.000 0.208 501 K C 1.999 178.602 176.600 0.006 0.000 1.048 501 K CA 1.475 57.766 56.287 0.007 0.000 0.928 501 K CB -0.302 32.202 32.500 0.007 0.000 0.713 501 K HN 0.463 nan 8.250 nan 0.000 0.442 502 A N 0.485 123.309 122.820 0.007 0.000 1.902 502 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 502 A C 2.226 179.813 177.584 0.006 0.000 1.181 502 A CA 1.736 53.777 52.037 0.007 0.000 0.623 502 A CB -0.570 18.434 19.000 0.008 0.000 0.818 502 A HN 0.189 nan 8.150 nan 0.000 0.443 503 V N 0.049 119.967 119.914 0.005 0.000 2.323 503 V HA -0.206 3.914 4.120 -0.001 0.000 0.244 503 V C 2.538 178.630 176.094 -0.002 0.000 1.041 503 V CA 1.746 64.048 62.300 0.002 0.000 1.025 503 V CB -0.749 31.075 31.823 0.001 0.000 0.656 503 V HN 0.564 nan 8.190 nan 0.000 0.451 504 L N -0.197 121.023 121.223 -0.006 0.000 2.079 504 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 504 L C 2.582 179.452 176.870 0.000 0.000 1.081 504 L CA 1.925 56.758 54.840 -0.012 0.000 0.752 504 L CB -1.017 41.034 42.059 -0.014 0.000 0.896 504 L HN 0.365 nan 8.230 nan 0.000 0.433 505 T N -0.258 114.299 114.554 0.005 0.000 2.812 505 T HA -0.085 4.265 4.350 -0.001 0.000 0.264 505 T C 2.056 176.763 174.700 0.012 0.000 1.042 505 T CA 1.175 63.281 62.100 0.010 0.000 1.140 505 T CB -0.170 68.703 68.868 0.009 0.000 0.870 505 T HN 0.430 nan 8.240 nan 0.000 0.445 506 A N 1.261 124.087 122.820 0.010 0.000 1.902 506 A HA -0.036 4.284 4.320 -0.001 0.000 0.217 506 A C 2.264 179.857 177.584 0.015 0.000 1.181 506 A CA 1.285 53.329 52.037 0.012 0.000 0.623 506 A CB -0.800 18.206 19.000 0.010 0.000 0.818 506 A HN 0.524 nan 8.150 nan 0.000 0.443 507 I N -0.398 120.180 120.570 0.014 0.000 2.202 507 I HA -0.177 3.993 4.170 -0.001 0.000 0.242 507 I C 2.722 178.859 176.117 0.032 0.000 1.091 507 I CA 1.125 62.438 61.300 0.021 0.000 1.368 507 I CB -0.692 37.316 38.000 0.013 0.000 1.058 507 I HN 0.385 nan 8.210 nan 0.000 0.410 508 G N 0.294 109.113 108.800 0.032 0.000 2.418 508 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.217 508 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.217 508 G C 1.540 176.462 174.900 0.036 0.000 1.158 508 G CA 0.596 45.722 45.100 0.044 0.000 0.771 508 G HN 0.399 nan 8.290 nan 0.000 0.545 509 E N 0.395 120.611 120.200 0.026 0.000 2.110 509 E HA -0.034 4.315 4.350 -0.001 0.000 0.193 509 E C 2.820 179.433 176.600 0.023 0.000 0.988 509 E CA 0.725 57.139 56.400 0.022 0.000 0.804 509 E CB -0.142 29.568 29.700 0.017 0.000 0.745 509 E HN 0.426 nan 8.360 nan 0.000 0.458 510 A N 0.948 123.783 122.820 0.024 0.000 2.119 510 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 510 A C 1.431 179.031 177.584 0.027 0.000 1.153 510 A CA 1.011 53.062 52.037 0.023 0.000 0.692 510 A CB -0.190 18.823 19.000 0.023 0.000 0.799 510 A HN 0.117 nan 8.150 nan 0.000 0.458 511 N N -0.991 117.730 118.700 0.035 0.000 2.270 511 N HA 0.318 5.058 4.740 -0.001 0.000 0.198 511 N C 0.912 176.443 175.510 0.034 0.000 1.117 511 N CA 0.880 53.954 53.050 0.040 0.000 0.845 511 N CB 0.480 39.003 38.487 0.060 0.000 0.980 511 N HN 0.509 nan 8.380 nan 0.000 0.486 512 G N 0.195 109.012 108.800 0.028 0.000 2.143 512 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.249 512 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.249 512 G C 0.737 175.651 174.900 0.024 0.000 0.981 512 G CA 0.205 45.319 45.100 0.022 0.000 0.665 512 G HN 0.328 nan 8.290 nan 0.000 0.528 513 L N 0.026 121.268 121.223 0.030 0.000 2.313 513 L HA 0.293 4.633 4.340 -0.001 0.000 0.214 513 L C 2.469 179.354 176.870 0.026 0.000 1.119 513 L CA 0.995 55.854 54.840 0.033 0.000 0.809 513 L CB -0.352 41.734 42.059 0.046 0.000 0.933 513 L HN 1.054 nan 8.230 nan 0.000 0.449 514 G N -0.040 108.773 108.800 0.022 0.000 2.155 514 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.257 514 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.257 514 G C 0.410 175.321 174.900 0.018 0.000 0.983 514 G CA 0.163 45.274 45.100 0.017 0.000 0.676 514 G HN 0.706 nan 8.290 nan 0.000 0.528 515 G N -1.358 107.455 108.800 0.022 0.000 2.428 515 G HA2 0.751 4.710 3.960 -0.001 0.000 0.304 515 G HA3 0.751 4.710 3.960 -0.001 0.000 0.304 515 G C -3.295 171.621 174.900 0.027 0.000 1.303 515 G CA 0.108 45.221 45.100 0.022 0.000 0.825 515 G HN 0.386 nan 8.290 nan 0.000 0.484 516 P HA 0.429 nan 4.420 nan 0.000 0.278 516 P C 0.338 177.662 177.300 0.039 0.000 1.258 516 P CA -0.479 62.636 63.100 0.024 0.000 0.811 516 P CB 1.191 32.899 31.700 0.014 0.000 1.063 517 L N 1.733 122.974 121.223 0.030 0.000 2.483 517 L HA 0.107 4.447 4.340 -0.001 0.000 0.277 517 L C -1.507 175.371 176.870 0.014 0.000 1.248 517 L CA -1.300 53.554 54.840 0.024 0.000 0.825 517 L CB -0.577 41.435 42.059 -0.077 0.000 1.096 517 L HN 0.316 nan 8.230 nan 0.000 0.512 518 P HA 0.132 nan 4.420 nan 0.000 0.274 518 P C -2.345 174.962 177.300 0.012 0.000 1.256 518 P CA -1.452 61.675 63.100 0.045 0.000 0.795 518 P CB -0.052 31.715 31.700 0.113 0.000 1.038 519 P HA -0.063 nan 4.420 nan 0.000 0.218 519 P C 0.037 177.389 177.300 0.087 0.000 1.149 519 P CA 1.334 64.471 63.100 0.061 0.000 0.817 519 P CB 0.159 31.903 31.700 0.074 0.000 0.785 520 V N 0.080 120.056 119.914 0.103 0.000 2.656 520 V HA 0.249 4.369 4.120 -0.001 0.000 0.307 520 V C -0.198 175.919 176.094 0.039 0.000 1.051 520 V CA -0.819 61.538 62.300 0.095 0.000 0.893 520 V CB 2.158 34.067 31.823 0.143 0.000 0.999 520 V HN -0.158 nan 8.190 nan 0.000 0.426 521 L N 4.338 125.548 121.223 -0.022 0.000 2.257 521 L HA 0.447 4.787 4.340 -0.001 0.000 0.290 521 L C -0.083 176.905 176.870 0.197 0.000 1.044 521 L CA -0.611 54.194 54.840 -0.058 0.000 0.810 521 L CB 0.538 42.426 42.059 -0.285 0.000 1.193 521 L HN 0.633 nan 8.230 nan 0.000 0.425 522 H N 5.142 124.361 119.070 0.249 0.000 2.864 522 H HA 0.208 4.763 4.556 -0.001 0.000 0.281 522 H C 0.297 175.746 175.328 0.201 0.000 1.093 522 H CA -0.083 56.077 56.048 0.187 0.000 1.453 522 H CB 1.106 30.968 29.762 0.167 0.000 1.462 522 H HN 0.606 nan 8.280 nan 0.000 0.480 523 M N 3.542 123.403 119.600 0.436 0.000 2.428 523 M HA 0.207 4.687 4.480 -0.001 0.000 0.239 523 M C 0.900 177.306 176.300 0.176 0.000 1.121 523 M CA 0.573 56.020 55.300 0.243 0.000 1.019 523 M CB 0.669 33.369 32.600 0.167 0.000 1.485 523 M HN 0.821 nan 8.290 nan 0.000 0.484 524 G N 0.354 109.329 108.800 0.293 0.000 2.306 524 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.262 524 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.262 524 G C -0.468 174.574 174.900 0.236 0.000 1.263 524 G CA -0.349 44.816 45.100 0.108 0.000 1.088 524 G HN 0.372 nan 8.290 nan 0.000 0.489 525 S N -1.196 114.587 115.700 0.139 0.000 2.633 525 S HA 0.361 4.831 4.470 -0.001 0.000 0.257 525 S C 1.631 176.315 174.600 0.140 0.000 1.265 525 S CA 0.615 58.904 58.200 0.148 0.000 0.980 525 S CB 0.837 64.119 63.200 0.137 0.000 1.017 525 S HN 1.402 nan 8.310 nan 0.000 0.577 526 C N 0.313 119.716 119.300 0.171 0.000 2.440 526 C HA -0.028 4.432 4.460 -0.001 0.000 0.278 526 C C 2.859 177.885 174.990 0.059 0.000 1.295 526 C CA 0.594 59.707 59.018 0.159 0.000 1.738 526 C CB -1.744 26.162 27.740 0.278 0.000 1.987 526 C HN 0.798 nan 8.230 nan 0.000 0.492 527 V N -0.031 119.891 119.914 0.013 0.000 2.490 527 V HA -0.151 3.969 4.120 -0.001 0.000 0.250 527 V C 1.418 177.481 176.094 -0.052 0.000 1.061 527 V CA 2.353 64.577 62.300 -0.127 0.000 1.064 527 V CB -0.904 30.795 31.823 -0.207 0.000 0.670 527 V HN 0.350 nan 8.190 nan 0.000 0.461 528 D N 0.949 121.353 120.400 0.007 0.000 2.378 528 D HA -0.048 4.592 4.640 -0.001 0.000 0.227 528 D C 1.785 178.111 176.300 0.044 0.000 1.012 528 D CA 0.426 54.429 54.000 0.006 0.000 0.905 528 D CB -0.598 40.224 40.800 0.036 0.000 0.895 528 D HN 0.494 nan 8.370 nan 0.000 0.532 529 N N 0.313 119.074 118.700 0.101 0.000 2.272 529 N HA -0.152 4.588 4.740 -0.001 0.000 0.185 529 N C 1.757 177.381 175.510 0.189 0.000 1.014 529 N CA 0.995 54.164 53.050 0.199 0.000 0.870 529 N CB -0.101 38.582 38.487 0.327 0.000 0.975 529 N HN 0.260 nan 8.380 nan 0.000 0.433 530 S N 0.876 116.584 115.700 0.014 0.000 2.419 530 S HA -0.062 4.408 4.470 -0.001 0.000 0.233 530 S C 1.811 176.234 174.600 -0.295 0.000 1.016 530 S CA 0.522 58.594 58.200 -0.213 0.000 0.974 530 S CB -0.154 62.791 63.200 -0.426 0.000 0.786 530 S HN 0.302 nan 8.310 nan 0.000 0.492 531 R N 1.340 121.734 120.500 -0.177 0.000 2.092 531 R HA 0.121 4.460 4.340 -0.001 0.000 0.231 531 R C 2.773 179.060 176.300 -0.022 0.000 1.119 531 R CA 1.199 57.226 56.100 -0.121 0.000 0.970 531 R CB -0.770 29.505 30.300 -0.043 0.000 0.864 531 R HN 0.575 nan 8.270 nan 0.000 0.440 532 A N 0.924 123.766 122.820 0.035 0.000 1.933 532 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 532 A C 2.375 180.007 177.584 0.080 0.000 1.175 532 A CA 1.268 53.346 52.037 0.069 0.000 0.628 532 A CB -0.495 18.562 19.000 0.094 0.000 0.814 532 A HN 0.098 nan 8.150 nan 0.000 0.444 533 V N -0.035 119.939 119.914 0.099 0.000 2.287 533 V HA -0.282 3.838 4.120 -0.001 0.000 0.248 533 V C 3.070 179.227 176.094 0.105 0.000 1.053 533 V CA 1.996 64.361 62.300 0.109 0.000 1.027 533 V CB -1.324 30.546 31.823 0.078 0.000 0.646 533 V HN 0.622 nan 8.190 nan 0.000 0.447 534 A N -0.143 122.732 122.820 0.091 0.000 1.908 534 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 534 A C 2.185 179.812 177.584 0.072 0.000 1.181 534 A CA 2.283 54.392 52.037 0.119 0.000 0.627 534 A CB -0.628 18.415 19.000 0.071 0.000 0.818 534 A HN 0.462 nan 8.150 nan 0.000 0.445 535 L N -0.147 121.107 121.223 0.051 0.000 2.017 535 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 535 L C 2.384 179.279 176.870 0.040 0.000 1.073 535 L CA 1.986 56.852 54.840 0.043 0.000 0.745 535 L CB -0.555 41.528 42.059 0.040 0.000 0.894 535 L HN 0.148 nan 8.230 nan 0.000 0.432 536 V N 0.033 119.974 119.914 0.045 0.000 2.358 536 V HA -0.232 3.888 4.120 -0.001 0.000 0.246 536 V C 2.785 178.900 176.094 0.035 0.000 1.047 536 V CA 1.486 63.809 62.300 0.037 0.000 1.035 536 V CB -1.260 30.590 31.823 0.044 0.000 0.658 536 V HN 0.601 nan 8.190 nan 0.000 0.452 537 A N -0.001 122.845 122.820 0.044 0.000 1.933 537 A HA -0.085 4.234 4.320 -0.001 0.000 0.218 537 A C 2.410 180.009 177.584 0.025 0.000 1.175 537 A CA 1.947 54.003 52.037 0.032 0.000 0.628 537 A CB -0.666 18.357 19.000 0.039 0.000 0.814 537 A HN 0.554 nan 8.150 nan 0.000 0.444 538 A N -0.254 122.585 122.820 0.032 0.000 1.898 538 A HA -0.007 4.313 4.320 -0.001 0.000 0.216 538 A C 2.150 179.745 177.584 0.019 0.000 1.181 538 A CA 1.427 53.479 52.037 0.025 0.000 0.620 538 A CB -0.553 18.465 19.000 0.031 0.000 0.819 538 A HN 0.466 nan 8.150 nan 0.000 0.442 539 L N -0.809 120.426 121.223 0.020 0.000 2.056 539 L HA -0.175 4.165 4.340 -0.001 0.000 0.207 539 L C 3.101 179.979 176.870 0.013 0.000 1.078 539 L CA 1.013 55.863 54.840 0.016 0.000 0.749 539 L CB -0.536 41.532 42.059 0.015 0.000 0.901 539 L HN 0.432 nan 8.230 nan 0.000 0.433 540 A N 0.389 123.217 122.820 0.013 0.000 1.877 540 A HA -0.250 4.070 4.320 -0.001 0.000 0.216 540 A C 2.018 179.606 177.584 0.006 0.000 1.186 540 A CA 2.248 54.291 52.037 0.009 0.000 0.620 540 A CB -0.861 18.145 19.000 0.010 0.000 0.822 540 A HN 0.510 nan 8.150 nan 0.000 0.443 541 N N -1.151 117.552 118.700 0.006 0.000 2.120 541 N HA -0.197 4.543 4.740 -0.001 0.000 0.188 541 N C 1.985 177.497 175.510 0.003 0.000 1.024 541 N CA 1.372 54.423 53.050 0.002 0.000 0.852 541 N CB -0.131 38.355 38.487 -0.001 0.000 1.003 541 N HN 0.414 nan 8.380 nan 0.000 0.424 542 R N 1.239 121.743 120.500 0.006 0.000 2.120 542 R HA 0.041 4.381 4.340 -0.001 0.000 0.234 542 R C 1.539 177.843 176.300 0.007 0.000 1.123 542 R CA 1.113 57.217 56.100 0.007 0.000 0.975 542 R CB -0.318 29.988 30.300 0.010 0.000 0.866 542 R HN 0.256 nan 8.270 nan 0.000 0.446 543 L N -1.035 120.192 121.223 0.007 0.000 2.509 543 L HA 0.260 4.599 4.340 -0.001 0.000 0.222 543 L C 0.979 177.852 176.870 0.006 0.000 1.123 543 L CA 0.536 55.381 54.840 0.008 0.000 0.856 543 L CB 0.083 42.148 42.059 0.009 0.000 0.985 543 L HN 0.552 nan 8.230 nan 0.000 0.456 544 G N 0.991 109.794 108.800 0.005 0.000 2.198 544 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.257 544 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.257 544 G C 0.042 174.945 174.900 0.004 0.000 1.042 544 G CA 0.346 45.448 45.100 0.003 0.000 0.791 544 G HN 0.306 nan 8.290 nan 0.000 0.502 545 V N -3.925 115.992 119.914 0.005 0.000 3.102 545 V HA 0.900 5.019 4.120 -0.001 0.000 0.312 545 V C 0.125 176.223 176.094 0.006 0.000 1.135 545 V CA -1.038 61.266 62.300 0.006 0.000 1.022 545 V CB 2.126 33.954 31.823 0.008 0.000 1.056 545 V HN 0.152 nan 8.190 nan 0.000 0.436 546 D N 0.005 120.409 120.400 0.008 0.000 2.383 546 D HA 0.357 4.996 4.640 -0.001 0.000 0.248 546 D C 0.927 177.233 176.300 0.010 0.000 1.170 546 D CA -0.311 53.695 54.000 0.009 0.000 0.977 546 D CB 1.476 42.283 40.800 0.012 0.000 1.120 546 D HN 0.482 nan 8.370 nan 0.000 0.481 547 L N 0.973 122.203 121.223 0.011 0.000 2.191 547 L HA -0.105 4.235 4.340 -0.001 0.000 0.212 547 L C 1.602 178.476 176.870 0.006 0.000 1.103 547 L CA 1.273 56.120 54.840 0.011 0.000 0.769 547 L CB -0.779 41.290 42.059 0.017 0.000 0.908 547 L HN 0.500 nan 8.230 nan 0.000 0.438 548 D N -1.096 119.311 120.400 0.011 0.000 2.352 548 D HA -0.123 4.517 4.640 -0.001 0.000 0.232 548 D C 1.678 177.986 176.300 0.015 0.000 1.055 548 D CA 0.456 54.465 54.000 0.015 0.000 0.891 548 D CB -0.186 40.630 40.800 0.027 0.000 0.897 548 D HN 0.298 nan 8.370 nan 0.000 0.529 549 R N -0.360 120.145 120.500 0.009 0.000 2.397 549 R HA 0.305 4.645 4.340 -0.001 0.000 0.241 549 R C 0.419 176.719 176.300 0.000 0.000 0.914 549 R CA -0.276 55.828 56.100 0.006 0.000 1.071 549 R CB 0.716 31.020 30.300 0.007 0.000 1.116 549 R HN 0.168 nan 8.270 nan 0.000 0.524 550 L N 2.973 124.195 121.223 -0.002 0.000 2.399 550 L HA 0.271 4.611 4.340 -0.001 0.000 0.266 550 L C -1.847 175.012 176.870 -0.017 0.000 1.114 550 L CA -2.024 52.813 54.840 -0.006 0.000 0.804 550 L CB 0.746 42.802 42.059 -0.004 0.000 1.146 550 L HN -0.240 nan 8.230 nan 0.000 0.451 551 P HA 0.131 nan 4.420 nan 0.000 0.225 551 P C -0.899 176.378 177.300 -0.037 0.000 1.813 551 P CA 0.081 63.163 63.100 -0.029 0.000 1.013 551 P CB 0.145 31.835 31.700 -0.017 0.000 1.961 552 V N 2.588 122.473 119.914 -0.048 0.000 2.638 552 V HA 0.471 4.591 4.120 -0.001 0.000 0.306 552 V C 0.428 176.465 176.094 -0.095 0.000 1.052 552 V CA -0.824 61.439 62.300 -0.061 0.000 0.885 552 V CB 2.530 34.330 31.823 -0.038 0.000 0.999 552 V HN 0.248 nan 8.190 nan 0.000 0.424 553 V N 1.472 121.313 119.914 -0.123 0.000 3.141 553 V HA 1.103 5.223 4.120 -0.001 0.000 0.312 553 V C -0.300 175.684 176.094 -0.183 0.000 1.157 553 V CA -0.786 61.414 62.300 -0.165 0.000 1.041 553 V CB 1.978 33.699 31.823 -0.170 0.000 1.071 553 V HN 1.267 nan 8.190 nan 0.000 0.441 554 A N 0.687 123.390 122.820 -0.195 0.000 2.454 554 A HA 0.931 5.251 4.320 -0.001 0.000 0.302 554 A C -0.467 177.026 177.584 -0.151 0.000 1.079 554 A CA -0.165 51.756 52.037 -0.193 0.000 0.731 554 A CB 1.927 20.820 19.000 -0.179 0.000 1.299 554 A HN 1.845 nan 8.150 nan 0.000 0.413 555 S N 0.412 116.036 115.700 -0.127 0.000 2.776 555 S HA 0.562 5.032 4.470 -0.001 0.000 0.284 555 S C -0.470 174.218 174.600 0.146 0.000 1.160 555 S CA 0.235 58.474 58.200 0.064 0.000 1.051 555 S CB 0.816 64.091 63.200 0.124 0.000 1.037 555 S HN 1.922 nan 8.310 nan 0.000 0.485 556 A N 4.198 127.030 122.820 0.021 0.000 3.078 556 A HA 0.652 4.972 4.320 -0.001 0.000 0.279 556 A C 1.364 178.862 177.584 -0.143 0.000 1.594 556 A CA 0.062 52.109 52.037 0.017 0.000 1.301 556 A CB -0.706 18.280 19.000 -0.022 0.000 1.162 556 A HN 1.227 nan 8.150 nan 0.000 0.585 557 A N 1.089 123.779 122.820 -0.216 0.000 2.067 557 A HA 0.022 4.341 4.320 -0.001 0.000 0.219 557 A C 1.004 178.289 177.584 -0.499 0.000 1.158 557 A CA 1.211 53.007 52.037 -0.402 0.000 0.661 557 A CB -0.023 18.604 19.000 -0.623 0.000 0.801 557 A HN 0.673 nan 8.150 nan 0.000 0.452 558 E N -0.573 119.334 120.200 -0.488 0.000 3.729 558 E HA 0.397 4.747 4.350 -0.001 0.000 0.195 558 E C -0.242 176.306 176.600 -0.087 0.000 1.005 558 E CA -0.239 56.003 56.400 -0.264 0.000 1.356 558 E CB 0.742 30.295 29.700 -0.245 0.000 1.138 558 E HN 0.469 nan 8.360 nan 0.000 0.450 559 A N 1.296 124.065 122.820 -0.085 0.000 2.520 559 A HA 0.183 4.502 4.320 -0.001 0.000 0.235 559 A C 0.742 178.316 177.584 -0.017 0.000 1.065 559 A CA 0.371 52.397 52.037 -0.019 0.000 0.764 559 A CB 0.507 19.478 19.000 -0.049 0.000 1.002 559 A HN 0.412 nan 8.150 nan 0.000 0.502 560 M N 0.660 120.278 119.600 0.029 0.000 2.146 560 M HA 0.116 4.595 4.480 -0.001 0.000 0.194 560 M C 0.419 176.737 176.300 0.031 0.000 1.652 560 M CA 0.292 55.600 55.300 0.013 0.000 0.986 560 M CB -0.345 32.272 32.600 0.029 0.000 1.496 560 M HN 0.914 nan 8.290 nan 0.000 0.576 561 H N 2.180 121.250 119.070 0.000 0.000 2.607 561 H HA 0.143 4.698 4.556 -0.000 0.000 0.367 561 H C 0.360 175.678 175.328 -0.017 0.000 1.181 561 H CA 0.985 57.029 56.048 -0.008 0.000 1.402 561 H CB 1.209 30.975 29.762 0.007 0.000 1.474 561 H HN 0.363 nan 8.280 nan 0.000 0.596 562 E N 2.275 122.387 120.200 -0.145 0.000 2.171 562 E HA -0.201 4.149 4.350 -0.001 0.000 0.197 562 E C 1.834 178.537 176.600 0.172 0.000 0.997 562 E CA 1.248 57.655 56.400 0.012 0.000 0.810 562 E CB 0.206 29.864 29.700 -0.070 0.000 0.738 562 E HN 0.559 nan 8.360 nan 0.000 0.467 563 K N 0.211 120.844 120.400 0.388 0.000 2.103 563 K HA -0.144 4.175 4.320 -0.001 0.000 0.207 563 K C 2.141 178.855 176.600 0.190 0.000 1.048 563 K CA 1.129 57.487 56.287 0.119 0.000 0.930 563 K CB -0.111 32.246 32.500 -0.238 0.000 0.716 563 K HN 0.078 nan 8.250 nan 0.000 0.444 564 A N 0.846 123.764 122.820 0.163 0.000 1.968 564 A HA -0.079 4.241 4.320 -0.001 0.000 0.217 564 A C 2.306 179.918 177.584 0.046 0.000 1.169 564 A CA 1.058 53.154 52.037 0.099 0.000 0.638 564 A CB -0.394 18.665 19.000 0.098 0.000 0.812 564 A HN 0.060 nan 8.150 nan 0.000 0.446 565 V N -0.109 119.837 119.914 0.053 0.000 2.358 565 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 565 V C 3.039 179.174 176.094 0.068 0.000 1.047 565 V CA 1.849 64.171 62.300 0.036 0.000 1.035 565 V CB -1.190 30.636 31.823 0.006 0.000 0.658 565 V HN 0.597 nan 8.190 nan 0.000 0.452 566 A N -0.040 122.837 122.820 0.095 0.000 1.902 566 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 566 A C 2.188 179.761 177.584 -0.018 0.000 1.181 566 A CA 1.921 54.040 52.037 0.137 0.000 0.623 566 A CB -0.545 18.598 19.000 0.237 0.000 0.818 566 A HN 0.494 nan 8.150 nan 0.000 0.443 567 I N -0.310 120.158 120.570 -0.170 0.000 2.226 567 I HA -0.207 3.963 4.170 -0.001 0.000 0.245 567 I C 2.685 178.267 176.117 -0.892 0.000 1.100 567 I CA 1.189 61.967 61.300 -0.870 0.000 1.374 567 I CB -0.528 37.203 38.000 -0.449 0.000 1.057 567 I HN 0.400 nan 8.210 nan 0.000 0.413 568 G N -0.156 108.448 108.800 -0.327 0.000 2.422 568 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.218 568 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.218 568 G C 1.650 176.438 174.900 -0.187 0.000 1.146 568 G CA 1.359 46.358 45.100 -0.168 0.000 0.769 568 G HN 0.295 nan 8.290 nan 0.000 0.547 569 T N 0.809 115.386 114.554 0.038 0.000 2.821 569 T HA -0.107 4.243 4.350 -0.001 0.000 0.267 569 T C 2.045 176.760 174.700 0.025 0.000 1.046 569 T CA 1.265 63.420 62.100 0.093 0.000 1.139 569 T CB -0.308 68.695 68.868 0.225 0.000 0.871 569 T HN 0.785 nan 8.240 nan 0.000 0.454 570 W N 1.734 123.042 121.300 0.013 0.000 2.467 570 W HA 0.260 4.919 4.660 -0.001 0.000 0.275 570 W C 2.161 178.644 176.519 -0.061 0.000 1.239 570 W CA 0.371 57.709 57.345 -0.012 0.000 1.266 570 W CB -0.817 28.653 29.460 0.017 0.000 1.112 570 W HN 0.214 nan 8.180 nan 0.000 0.576 571 A N 1.945 124.706 122.820 -0.097 0.000 1.908 571 A HA -0.134 4.186 4.320 -0.001 0.000 0.218 571 A C 2.258 179.764 177.584 -0.130 0.000 1.181 571 A CA 2.583 54.562 52.037 -0.096 0.000 0.627 571 A CB -1.074 17.707 19.000 -0.365 0.000 0.818 571 A HN 0.147 nan 8.150 nan 0.000 0.445 572 V N -0.343 119.390 119.914 -0.302 0.000 2.343 572 V HA -0.214 3.905 4.120 -0.001 0.000 0.247 572 V C 2.728 178.750 176.094 -0.121 0.000 1.051 572 V CA 2.451 64.555 62.300 -0.327 0.000 1.036 572 V CB -1.122 30.343 31.823 -0.596 0.000 0.654 572 V HN 0.618 nan 8.190 nan 0.000 0.451 573 T N 1.150 115.689 114.554 -0.025 0.000 2.867 573 T HA -0.081 4.269 4.350 -0.001 0.000 0.268 573 T C 1.694 176.423 174.700 0.048 0.000 1.057 573 T CA 1.818 63.938 62.100 0.032 0.000 1.136 573 T CB -0.298 68.626 68.868 0.092 0.000 0.874 573 T HN 0.703 nan 8.240 nan 0.000 0.466 574 I N -1.446 119.176 120.570 0.087 0.000 3.564 574 I HA 0.415 4.585 4.170 -0.001 0.000 0.294 574 I C 1.420 177.559 176.117 0.036 0.000 1.289 574 I CA 0.479 61.822 61.300 0.072 0.000 1.325 574 I CB -0.209 37.860 38.000 0.116 0.000 1.039 574 I HN 0.307 nan 8.210 nan 0.000 0.474 575 G N 1.482 110.285 108.800 0.005 0.000 2.164 575 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.154 575 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.154 575 G C -0.184 174.686 174.900 -0.050 0.000 1.014 575 G CA -0.383 44.711 45.100 -0.010 0.000 0.683 575 G HN 0.274 nan 8.290 nan 0.000 0.500 576 L N 0.820 121.979 121.223 -0.106 0.000 2.322 576 L HA 0.495 4.834 4.340 -0.001 0.000 0.279 576 L C -2.191 174.462 176.870 -0.362 0.000 1.036 576 L CA -2.362 52.371 54.840 -0.178 0.000 0.807 576 L CB 1.601 43.570 42.059 -0.151 0.000 1.226 576 L HN -0.157 nan 8.230 nan 0.000 0.433 577 P HA 0.101 nan 4.420 nan 0.000 0.271 577 P C -0.926 176.076 177.300 -0.496 0.000 1.226 577 P CA 0.034 62.607 63.100 -0.878 0.000 0.765 577 P CB 0.631 31.879 31.700 -0.753 0.000 0.835 578 T N 3.055 117.336 114.554 -0.454 0.000 2.930 578 T HA 0.176 4.526 4.350 -0.001 0.000 0.313 578 T C -0.628 174.049 174.700 -0.039 0.000 1.019 578 T CA -0.428 61.511 62.100 -0.268 0.000 1.004 578 T CB 0.084 68.691 68.868 -0.435 0.000 0.987 578 T HN 0.437 nan 8.240 nan 0.000 0.456 579 H N 4.057 123.079 119.070 -0.080 0.000 2.582 579 H HA 0.580 5.136 4.556 -0.000 0.000 0.345 579 H C -0.957 174.400 175.328 0.049 0.000 1.104 579 H CA -0.304 55.745 56.048 0.001 0.000 1.390 579 H CB 0.828 30.570 29.762 -0.034 0.000 1.461 579 H HN 0.542 nan 8.280 nan 0.000 0.551 580 I N 3.666 123.899 120.570 -0.561 0.000 2.466 580 I HA 0.271 4.441 4.170 -0.001 0.000 0.289 580 I C 0.553 176.224 176.117 -0.743 0.000 1.026 580 I CA -0.498 60.468 61.300 -0.555 0.000 1.078 580 I CB 1.553 39.415 38.000 -0.230 0.000 1.249 580 I HN 0.786 nan 8.210 nan 0.000 0.429 581 G N 6.284 114.713 108.800 -0.619 0.000 3.233 581 G HA2 0.331 4.290 3.960 -0.001 0.000 0.234 581 G HA3 0.331 4.290 3.960 -0.001 0.000 0.234 581 G C -0.108 174.709 174.900 -0.139 0.000 1.137 581 G CA 0.127 45.067 45.100 -0.266 0.000 0.763 581 G HN 0.352 nan 8.290 nan 0.000 0.549 582 V N 0.288 120.107 119.914 -0.159 0.000 3.074 582 V HA 0.435 4.555 4.120 -0.001 0.000 0.314 582 V C -0.245 175.784 176.094 -0.108 0.000 1.117 582 V CA -0.972 61.263 62.300 -0.108 0.000 1.014 582 V CB 2.446 34.203 31.823 -0.109 0.000 1.057 582 V HN 0.041 nan 8.190 nan 0.000 0.438 583 L N 5.160 126.335 121.223 -0.081 0.000 2.313 583 L HA 0.381 4.721 4.340 -0.001 0.000 0.282 583 L C -1.925 174.883 176.870 -0.104 0.000 1.092 583 L CA -1.234 53.554 54.840 -0.085 0.000 0.831 583 L CB 1.496 43.522 42.059 -0.056 0.000 1.159 583 L HN 0.518 nan 8.230 nan 0.000 0.442 584 P HA 0.291 nan 4.420 nan 0.000 0.278 584 P C -2.659 174.573 177.300 -0.113 0.000 1.258 584 P CA -1.923 61.089 63.100 -0.146 0.000 0.811 584 P CB 0.225 31.788 31.700 -0.227 0.000 1.063 585 P HA 0.240 nan 4.420 nan 0.000 0.225 585 P C 0.450 177.707 177.300 -0.072 0.000 1.813 585 P CA 0.030 63.089 63.100 -0.069 0.000 1.013 585 P CB -0.831 30.839 31.700 -0.049 0.000 1.961 586 I N -2.296 118.224 120.570 -0.084 0.000 4.439 586 I HA 0.105 4.275 4.170 -0.001 0.000 0.331 586 I C 1.296 177.375 176.117 -0.064 0.000 1.345 586 I CA -0.067 61.186 61.300 -0.079 0.000 1.193 586 I CB -0.277 37.661 38.000 -0.102 0.000 1.221 586 I HN -0.116 nan 8.210 nan 0.000 0.429 587 T N -1.259 113.259 114.554 -0.059 0.000 3.007 587 T HA 0.049 4.399 4.350 -0.001 0.000 0.270 587 T C 1.818 176.480 174.700 -0.063 0.000 1.107 587 T CA 1.018 63.091 62.100 -0.045 0.000 1.118 587 T CB -0.700 68.150 68.868 -0.029 0.000 0.889 587 T HN 0.458 nan 8.240 nan 0.000 0.506 588 G N 0.451 109.204 108.800 -0.079 0.000 2.776 588 G HA2 0.172 4.131 3.960 -0.001 0.000 0.209 588 G HA3 0.172 4.131 3.960 -0.001 0.000 0.209 588 G C 0.453 175.288 174.900 -0.108 0.000 1.145 588 G CA 0.214 45.244 45.100 -0.117 0.000 0.791 588 G HN 0.605 nan 8.290 nan 0.000 0.530 589 S N -0.372 115.285 115.700 -0.072 0.000 2.756 589 S HA 0.353 4.822 4.470 -0.001 0.000 0.303 589 S C 0.768 175.347 174.600 -0.034 0.000 1.135 589 S CA -0.801 57.366 58.200 -0.056 0.000 1.066 589 S CB 1.228 64.401 63.200 -0.045 0.000 1.008 589 S HN 0.039 nan 8.310 nan 0.000 0.482 590 L N 7.316 128.525 121.223 -0.023 0.000 2.017 590 L HA 0.233 4.573 4.340 -0.001 0.000 0.208 590 L C -1.203 175.668 176.870 0.001 0.000 1.073 590 L CA 1.928 56.769 54.840 0.000 0.000 0.745 590 L CB -1.002 41.069 42.059 0.019 0.000 0.894 590 L HN 0.466 nan 8.230 nan 0.000 0.432 591 P HA -0.135 nan 4.420 nan 0.000 0.216 591 P C 2.087 179.388 177.300 0.003 0.000 1.150 591 P CA 1.352 64.453 63.100 0.001 0.000 0.837 591 P CB 0.003 31.702 31.700 -0.002 0.000 0.786 592 V N -0.657 119.254 119.914 -0.005 0.000 2.358 592 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 592 V C 2.317 178.414 176.094 0.005 0.000 1.047 592 V CA 2.443 64.742 62.300 -0.002 0.000 1.035 592 V CB -1.719 30.095 31.823 -0.016 0.000 0.658 592 V HN 0.186 nan 8.190 nan 0.000 0.452 593 T N -0.556 113.996 114.554 -0.003 0.000 2.720 593 T HA -0.268 4.081 4.350 -0.001 0.000 0.268 593 T C 1.929 176.647 174.700 0.030 0.000 1.037 593 T CA 1.700 63.803 62.100 0.006 0.000 1.144 593 T CB -0.250 68.618 68.868 -0.000 0.000 0.864 593 T HN 0.542 nan 8.240 nan 0.000 0.444 594 Q N 0.034 119.848 119.800 0.024 0.000 2.124 594 Q HA -0.017 4.323 4.340 -0.001 0.000 0.202 594 Q C 2.354 178.374 176.000 0.033 0.000 0.977 594 Q CA 1.128 56.946 55.803 0.025 0.000 0.850 594 Q CB -0.342 28.405 28.738 0.015 0.000 0.901 594 Q HN 0.530 nan 8.270 nan 0.000 0.429 595 I N 0.485 121.076 120.570 0.034 0.000 2.142 595 I HA -0.302 3.867 4.170 -0.001 0.000 0.240 595 I C 2.075 178.240 176.117 0.080 0.000 1.078 595 I CA 1.210 62.535 61.300 0.043 0.000 1.343 595 I CB -0.171 37.849 38.000 0.035 0.000 1.046 595 I HN 0.201 nan 8.210 nan 0.000 0.405 596 L N -0.022 121.268 121.223 0.111 0.000 2.291 596 L HA -0.114 4.226 4.340 -0.001 0.000 0.214 596 L C 2.286 179.323 176.870 0.280 0.000 1.120 596 L CA 1.540 56.513 54.840 0.222 0.000 0.799 596 L CB -0.613 41.565 42.059 0.199 0.000 0.925 596 L HN 0.447 nan 8.230 nan 0.000 0.446 597 T N -6.968 107.697 114.554 0.186 0.000 3.010 597 T HA 0.122 4.472 4.350 -0.001 0.000 0.257 597 T C 1.298 176.062 174.700 0.106 0.000 1.020 597 T CA 0.510 62.731 62.100 0.202 0.000 0.938 597 T CB 0.855 69.812 68.868 0.149 0.000 1.049 597 T HN 0.136 nan 8.240 nan 0.000 0.522 598 S N 0.950 116.682 115.700 0.052 0.000 4.193 598 S HA 0.107 4.577 4.470 -0.001 0.000 0.211 598 S C 1.787 176.371 174.600 -0.027 0.000 1.162 598 S CA 0.670 58.850 58.200 -0.034 0.000 1.039 598 S CB -0.302 62.879 63.200 -0.032 0.000 1.371 598 S HN 0.491 nan 8.310 nan 0.000 0.550 599 S N 1.455 117.154 115.700 -0.002 0.000 2.481 599 S HA 0.066 4.536 4.470 -0.001 0.000 0.231 599 S C 1.651 176.245 174.600 -0.010 0.000 0.996 599 S CA 0.957 59.151 58.200 -0.011 0.000 0.942 599 S CB -0.331 62.866 63.200 -0.005 0.000 0.768 599 S HN 0.451 nan 8.310 nan 0.000 0.520 600 V N 2.072 121.994 119.914 0.013 0.000 2.867 600 V HA -0.151 3.969 4.120 -0.001 0.000 0.260 600 V C 2.144 178.238 176.094 0.000 0.000 1.099 600 V CA 1.649 63.950 62.300 0.002 0.000 1.122 600 V CB -0.733 31.112 31.823 0.037 0.000 0.708 600 V HN 0.490 nan 8.190 nan 0.000 0.490 601 K N -0.262 120.144 120.400 0.010 0.000 2.152 601 K HA -0.170 4.150 4.320 -0.001 0.000 0.206 601 K C 1.594 178.187 176.600 -0.011 0.000 1.048 601 K CA 1.730 58.022 56.287 0.009 0.000 0.933 601 K CB -0.234 32.217 32.500 -0.081 0.000 0.721 601 K HN 0.523 nan 8.250 nan 0.000 0.447 602 D N 0.214 120.598 120.400 -0.026 0.000 2.355 602 D HA 0.007 4.646 4.640 -0.001 0.000 0.218 602 D C 1.616 177.896 176.300 -0.032 0.000 1.004 602 D CA 0.754 54.745 54.000 -0.015 0.000 0.880 602 D CB 0.212 41.006 40.800 -0.009 0.000 0.911 602 D HN 0.272 nan 8.370 nan 0.000 0.528 603 I N 0.009 120.513 120.570 -0.110 0.000 2.900 603 I HA -0.095 4.074 4.170 -0.001 0.000 0.251 603 I C 2.246 178.242 176.117 -0.202 0.000 1.102 603 I CA 1.014 62.117 61.300 -0.328 0.000 1.457 603 I CB 0.074 37.832 38.000 -0.403 0.000 1.285 603 I HN -0.061 nan 8.210 nan 0.000 0.459 604 T N -2.742 111.753 114.554 -0.098 0.000 2.985 604 T HA 0.361 4.711 4.350 -0.001 0.000 0.254 604 T C 1.550 176.256 174.700 0.008 0.000 1.021 604 T CA 0.567 62.648 62.100 -0.030 0.000 0.957 604 T CB 0.970 69.820 68.868 -0.029 0.000 1.047 604 T HN 0.517 nan 8.240 nan 0.000 0.511 605 G N 0.763 109.577 108.800 0.023 0.000 2.253 605 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.251 605 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.251 605 G C 0.586 175.555 174.900 0.115 0.000 0.998 605 G CA 0.047 45.181 45.100 0.058 0.000 0.621 605 G HN 1.070 nan 8.290 nan 0.000 0.524 606 G N -0.658 108.178 108.800 0.060 0.000 2.543 606 G HA2 0.842 4.801 3.960 -0.001 0.000 0.290 606 G HA3 0.842 4.801 3.960 -0.001 0.000 0.290 606 G C -0.513 174.470 174.900 0.138 0.000 1.310 606 G CA -0.139 44.961 45.100 0.000 0.000 1.025 606 G HN 1.693 nan 8.290 nan 0.000 0.502 607 Y N -3.562 116.638 120.300 -0.166 0.000 2.583 607 Y HA 0.544 5.094 4.550 -0.001 0.000 0.330 607 Y C -1.546 174.256 175.900 -0.163 0.000 1.185 607 Y CA -2.258 55.768 58.100 -0.124 0.000 1.107 607 Y CB 0.213 38.650 38.460 -0.038 0.000 1.344 607 Y HN 0.425 nan 8.280 nan 0.000 0.463 608 F N 3.002 123.001 119.950 0.082 0.000 2.429 608 F HA 0.560 5.087 4.527 -0.000 0.000 0.348 608 F C 0.309 176.171 175.800 0.104 0.000 1.109 608 F CA -0.384 57.625 58.000 0.016 0.000 1.232 608 F CB 0.879 39.882 39.000 0.006 0.000 1.157 608 F HN 0.417 nan 8.300 nan 0.000 0.564 609 I N 3.911 124.652 120.570 0.284 0.000 2.405 609 I HA 0.231 4.401 4.170 -0.001 0.000 0.280 609 I C -1.060 175.201 176.117 0.239 0.000 1.027 609 I CA -0.641 60.809 61.300 0.251 0.000 1.161 609 I CB 1.132 39.255 38.000 0.206 0.000 1.300 609 I HN 0.130 nan 8.210 nan 0.000 0.463 610 V N 5.462 125.472 119.914 0.161 0.000 2.385 610 V HA 0.368 4.488 4.120 -0.001 0.000 0.269 610 V C -0.094 176.074 176.094 0.124 0.000 1.043 610 V CA -0.146 62.202 62.300 0.080 0.000 0.906 610 V CB 1.102 32.928 31.823 0.005 0.000 0.995 610 V HN 0.672 nan 8.190 nan 0.000 0.467 611 E N 4.249 124.558 120.200 0.181 0.000 2.367 611 E HA 0.386 4.736 4.350 -0.001 0.000 0.292 611 E C -0.451 176.263 176.600 0.191 0.000 0.900 611 E CA -0.519 55.984 56.400 0.172 0.000 0.807 611 E CB 1.498 31.288 29.700 0.150 0.000 1.337 611 E HN 0.299 nan 8.360 nan 0.000 0.394 612 L N 2.423 123.697 121.223 0.086 0.000 2.313 612 L HA 0.224 4.564 4.340 -0.001 0.000 0.214 612 L C 0.509 177.406 176.870 0.046 0.000 1.119 612 L CA 0.829 55.702 54.840 0.054 0.000 0.809 612 L CB -0.232 41.840 42.059 0.022 0.000 0.933 612 L HN 0.569 nan 8.230 nan 0.000 0.449 613 D N 0.191 120.614 120.400 0.039 0.000 2.316 613 D HA 0.110 4.750 4.640 -0.001 0.000 0.245 613 D C -1.514 174.787 176.300 0.002 0.000 1.171 613 D CA -1.855 52.155 54.000 0.017 0.000 0.856 613 D CB 1.361 42.167 40.800 0.011 0.000 1.090 613 D HN -0.068 nan 8.370 nan 0.000 0.476 614 P HA -0.119 nan 4.420 nan 0.000 0.219 614 P C 0.868 178.144 177.300 -0.040 0.000 1.150 614 P CA 0.736 63.817 63.100 -0.031 0.000 0.814 614 P CB 0.451 32.132 31.700 -0.032 0.000 0.787 615 E N -0.197 119.991 120.200 -0.021 0.000 2.106 615 E HA -0.084 4.266 4.350 -0.001 0.000 0.192 615 E C 1.976 178.562 176.600 -0.024 0.000 0.984 615 E CA 1.377 57.768 56.400 -0.015 0.000 0.806 615 E CB -0.989 28.710 29.700 -0.003 0.000 0.750 615 E HN 0.265 nan 8.360 nan 0.000 0.458 616 T N 1.232 115.772 114.554 -0.024 0.000 2.821 616 T HA -0.077 4.273 4.350 -0.001 0.000 0.267 616 T C 1.972 176.635 174.700 -0.062 0.000 1.046 616 T CA 1.241 63.326 62.100 -0.025 0.000 1.139 616 T CB -0.151 68.713 68.868 -0.008 0.000 0.871 616 T HN 0.240 nan 8.240 nan 0.000 0.454 617 A N 1.568 124.318 122.820 -0.117 0.000 1.902 617 A HA 0.128 4.448 4.320 -0.001 0.000 0.217 617 A C 2.652 180.087 177.584 -0.248 0.000 1.181 617 A CA 1.823 53.684 52.037 -0.293 0.000 0.623 617 A CB -1.101 17.547 19.000 -0.587 0.000 0.818 617 A HN 0.507 nan 8.150 nan 0.000 0.443 618 A N 0.001 122.738 122.820 -0.139 0.000 1.902 618 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 618 A C 1.769 179.325 177.584 -0.047 0.000 1.181 618 A CA 1.871 53.867 52.037 -0.068 0.000 0.623 618 A CB -0.582 18.411 19.000 -0.011 0.000 0.818 618 A HN 0.459 nan 8.150 nan 0.000 0.443 619 D N -0.203 120.176 120.400 -0.035 0.000 2.144 619 D HA -0.115 4.525 4.640 -0.001 0.000 0.199 619 D C 1.915 178.203 176.300 -0.021 0.000 0.984 619 D CA 1.341 55.333 54.000 -0.013 0.000 0.834 619 D CB -0.224 40.575 40.800 -0.002 0.000 0.955 619 D HN 0.509 nan 8.370 nan 0.000 0.465 620 K N 0.054 120.430 120.400 -0.039 0.000 2.103 620 K HA 0.011 4.331 4.320 -0.001 0.000 0.204 620 K C 2.307 178.888 176.600 -0.032 0.000 1.052 620 K CA 0.369 56.643 56.287 -0.022 0.000 0.945 620 K CB -0.022 32.471 32.500 -0.012 0.000 0.722 620 K HN 0.113 nan 8.250 nan 0.000 0.443 621 L N 0.869 122.047 121.223 -0.074 0.000 2.056 621 L HA -0.176 4.163 4.340 -0.001 0.000 0.207 621 L C 2.255 179.089 176.870 -0.059 0.000 1.078 621 L CA 1.020 55.812 54.840 -0.081 0.000 0.749 621 L CB -0.331 41.657 42.059 -0.118 0.000 0.901 621 L HN 0.154 nan 8.230 nan 0.000 0.433 622 L N -0.607 120.593 121.223 -0.039 0.000 2.046 622 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 622 L C 2.831 179.678 176.870 -0.039 0.000 1.077 622 L CA 1.150 55.978 54.840 -0.020 0.000 0.747 622 L CB -0.671 41.395 42.059 0.012 0.000 0.896 622 L HN 0.244 nan 8.230 nan 0.000 0.432 623 A N -0.127 122.669 122.820 -0.041 0.000 1.933 623 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 623 A C 2.512 180.036 177.584 -0.101 0.000 1.175 623 A CA 1.634 53.622 52.037 -0.081 0.000 0.628 623 A CB -0.630 18.342 19.000 -0.046 0.000 0.814 623 A HN 0.404 nan 8.150 nan 0.000 0.444 624 A N -0.048 122.748 122.820 -0.040 0.000 1.898 624 A HA -0.055 4.265 4.320 -0.001 0.000 0.216 624 A C 2.106 179.652 177.584 -0.063 0.000 1.181 624 A CA 1.440 53.474 52.037 -0.004 0.000 0.620 624 A CB -0.567 18.443 19.000 0.017 0.000 0.819 624 A HN 0.488 nan 8.150 nan 0.000 0.442 625 I N 0.119 120.642 120.570 -0.078 0.000 2.179 625 I HA -0.270 3.900 4.170 -0.001 0.000 0.242 625 I C 2.035 178.081 176.117 -0.120 0.000 1.088 625 I CA 1.300 62.553 61.300 -0.078 0.000 1.357 625 I CB -0.396 37.572 38.000 -0.052 0.000 1.051 625 I HN 0.297 nan 8.210 nan 0.000 0.409 626 N N 0.616 119.206 118.700 -0.184 0.000 2.244 626 N HA -0.150 4.590 4.740 -0.001 0.000 0.183 626 N C 1.703 176.846 175.510 -0.610 0.000 1.016 626 N CA 1.051 53.878 53.050 -0.371 0.000 0.866 626 N CB -0.180 38.046 38.487 -0.435 0.000 0.980 626 N HN 0.431 nan 8.380 nan 0.000 0.430 627 E N 0.355 120.295 120.200 -0.433 0.000 2.110 627 E HA -0.050 4.300 4.350 -0.001 0.000 0.193 627 E C 1.919 178.390 176.600 -0.214 0.000 0.988 627 E CA 0.674 56.866 56.400 -0.346 0.000 0.804 627 E CB 0.154 29.734 29.700 -0.200 0.000 0.745 627 E HN 0.188 nan 8.360 nan 0.000 0.458 628 R N 0.641 121.056 120.500 -0.141 0.000 2.075 628 R HA -0.038 4.302 4.340 -0.001 0.000 0.232 628 R C 2.232 178.491 176.300 -0.069 0.000 1.126 628 R CA 0.976 57.031 56.100 -0.076 0.000 0.963 628 R CB -0.435 29.837 30.300 -0.047 0.000 0.858 628 R HN 0.190 nan 8.270 nan 0.000 0.435 629 R N 0.401 120.848 120.500 -0.088 0.000 2.083 629 R HA -0.094 4.246 4.340 -0.001 0.000 0.237 629 R C 2.321 178.628 176.300 0.012 0.000 1.137 629 R CA 1.621 57.713 56.100 -0.014 0.000 0.951 629 R CB -0.473 29.851 30.300 0.040 0.000 0.851 629 R HN 0.203 nan 8.270 nan 0.000 0.434 630 A N 0.658 123.414 122.820 -0.106 0.000 1.902 630 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 630 A C 2.368 179.966 177.584 0.023 0.000 1.181 630 A CA 1.732 53.776 52.037 0.011 0.000 0.623 630 A CB -1.036 17.892 19.000 -0.121 0.000 0.818 630 A HN 0.489 nan 8.150 nan 0.000 0.443 631 G N -0.680 108.105 108.800 -0.025 0.000 2.471 631 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.219 631 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.219 631 G C 1.263 176.171 174.900 0.013 0.000 1.125 631 G CA 0.782 45.879 45.100 -0.005 0.000 0.775 631 G HN 0.452 nan 8.290 nan 0.000 0.548 632 L N 0.073 121.308 121.223 0.019 0.000 2.592 632 L HA 0.283 4.623 4.340 -0.001 0.000 0.227 632 L C 1.904 178.800 176.870 0.043 0.000 1.127 632 L CA 0.382 55.239 54.840 0.028 0.000 0.884 632 L CB 0.163 42.237 42.059 0.026 0.000 1.065 632 L HN 0.317 nan 8.230 nan 0.000 0.457 633 G N 0.505 109.341 108.800 0.061 0.000 2.136 633 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.242 633 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.242 633 G C 0.082 175.037 174.900 0.092 0.000 0.989 633 G CA -0.157 44.986 45.100 0.073 0.000 0.682 633 G HN 0.224 nan 8.290 nan 0.000 0.522 634 L N 0.515 121.809 121.223 0.118 0.000 2.379 634 L HA 0.513 4.853 4.340 -0.001 0.000 0.269 634 L C -1.628 175.365 176.870 0.205 0.000 1.084 634 L CA -2.393 52.524 54.840 0.128 0.000 0.802 634 L CB 1.015 43.141 42.059 0.112 0.000 1.175 634 L HN -0.122 nan 8.230 nan 0.000 0.448 635 P HA 0.043 nan 4.420 nan 0.000 0.270 635 P C -1.188 176.237 177.300 0.207 0.000 1.223 635 P CA -0.100 63.047 63.100 0.078 0.000 0.785 635 P CB 0.414 32.114 31.700 0.001 0.000 0.923 636 W N 0.000 121.303 121.300 0.005 0.000 2.388 636 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 636 W CA 0.000 57.349 57.345 0.006 0.000 1.226 636 W CB 0.000 29.464 29.460 0.007 0.000 1.126 636 W HN 0.000 nan 8.180 nan 0.000 0.535