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 1su7_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 0.000 175.900 176.000 -0.167 0.000 1.003 4 Q CA 0.000 55.708 55.803 -0.159 0.000 1.022 4 Q CB 0.000 28.640 28.738 -0.164 0.000 1.108 5 N N 1.533 120.176 118.700 -0.094 0.000 2.550 5 N HA -0.022 4.717 4.740 -0.000 0.000 0.186 5 N C 1.685 177.161 175.510 -0.057 0.000 1.110 5 N CA 0.482 53.493 53.050 -0.066 0.000 0.912 5 N CB -0.030 38.441 38.487 -0.026 0.000 0.968 5 N HN 0.261 nan 8.380 nan 0.000 0.448 6 L N -0.802 120.382 121.223 -0.066 0.000 2.395 6 L HA 0.098 4.438 4.340 -0.000 0.000 0.218 6 L C 1.520 178.366 176.870 -0.040 0.000 1.130 6 L CA 1.218 56.042 54.840 -0.028 0.000 0.826 6 L CB 0.105 42.158 42.059 -0.010 0.000 0.941 6 L HN -0.035 nan 8.230 nan 0.000 0.451 7 K N -0.815 119.467 120.400 -0.198 0.000 2.121 7 K HA 0.182 4.502 4.320 -0.000 0.000 0.203 7 K C 0.559 176.999 176.600 -0.266 0.000 1.041 7 K CA 0.640 56.653 56.287 -0.456 0.000 0.969 7 K CB 0.287 32.039 32.500 -1.247 0.000 0.799 7 K HN 0.249 nan 8.250 nan 0.000 0.456 8 S N -0.201 115.333 115.700 -0.278 0.000 2.540 8 S HA 0.130 4.600 4.470 -0.000 0.000 0.275 8 S C 0.334 174.933 174.600 -0.001 0.000 1.123 8 S CA -0.739 57.428 58.200 -0.054 0.000 0.907 8 S CB 1.680 64.812 63.200 -0.114 0.000 1.081 8 S HN 0.292 nan 8.310 nan 0.000 0.476 9 T N -0.202 114.407 114.554 0.092 0.000 3.148 9 T HA 0.136 4.486 4.350 -0.000 0.000 0.253 9 T C 0.280 175.134 174.700 0.255 0.000 1.134 9 T CA 0.119 62.294 62.100 0.126 0.000 1.051 9 T CB -0.259 68.649 68.868 0.066 0.000 0.959 9 T HN 0.512 nan 8.240 nan 0.000 0.525 10 D N 1.235 121.760 120.400 0.208 0.000 2.295 10 D HA 0.203 4.843 4.640 -0.000 0.000 0.248 10 D C 1.031 177.349 176.300 0.031 0.000 1.154 10 D CA -0.434 53.628 54.000 0.103 0.000 0.857 10 D CB 1.119 41.969 40.800 0.085 0.000 1.117 10 D HN 0.186 nan 8.370 nan 0.000 0.468 11 R N 2.691 123.197 120.500 0.010 0.000 2.148 11 R HA -0.074 4.265 4.340 -0.000 0.000 0.227 11 R C 1.872 178.163 176.300 -0.016 0.000 1.103 11 R CA 1.242 57.340 56.100 -0.003 0.000 0.983 11 R CB 0.054 30.354 30.300 -0.001 0.000 0.874 11 R HN 0.478 nan 8.270 nan 0.000 0.451 12 A N 0.545 123.354 122.820 -0.019 0.000 1.929 12 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 12 A C 2.278 179.858 177.584 -0.007 0.000 1.176 12 A CA 1.011 53.040 52.037 -0.013 0.000 0.628 12 A CB -0.334 18.658 19.000 -0.014 0.000 0.816 12 A HN 0.094 nan 8.150 nan 0.000 0.444 13 V N 0.137 120.051 119.914 0.001 0.000 2.343 13 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 13 V C 2.634 178.691 176.094 -0.061 0.000 1.051 13 V CA 2.282 64.583 62.300 0.001 0.000 1.036 13 V CB -0.971 30.875 31.823 0.038 0.000 0.654 13 V HN 0.640 nan 8.190 nan 0.000 0.451 14 Q N -0.474 119.281 119.800 -0.076 0.000 2.096 14 Q HA -0.315 4.024 4.340 -0.000 0.000 0.204 14 Q C 2.369 178.330 176.000 -0.065 0.000 0.982 14 Q CA 2.099 57.841 55.803 -0.100 0.000 0.850 14 Q CB -0.233 28.461 28.738 -0.072 0.000 0.901 14 Q HN 0.693 nan 8.270 nan 0.000 0.422 15 Q N -0.203 119.574 119.800 -0.037 0.000 2.084 15 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 15 Q C 1.932 177.922 176.000 -0.016 0.000 0.978 15 Q CA 1.056 56.845 55.803 -0.023 0.000 0.844 15 Q CB 0.157 28.886 28.738 -0.014 0.000 0.898 15 Q HN 0.323 nan 8.270 nan 0.000 0.426 16 M N 0.014 119.608 119.600 -0.010 0.000 2.254 16 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 16 M C 2.054 178.359 176.300 0.008 0.000 1.066 16 M CA 1.023 56.328 55.300 0.008 0.000 1.123 16 M CB -0.611 32.005 32.600 0.027 0.000 1.388 16 M HN 0.302 nan 8.290 nan 0.000 0.425 17 L N -0.160 121.048 121.223 -0.025 0.000 2.083 17 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 17 L C 1.996 178.852 176.870 -0.023 0.000 1.083 17 L CA 0.936 55.755 54.840 -0.036 0.000 0.752 17 L CB -0.627 41.342 42.059 -0.150 0.000 0.899 17 L HN 0.234 nan 8.230 nan 0.000 0.433 18 D N -0.021 120.361 120.400 -0.030 0.000 2.117 18 D HA -0.204 4.436 4.640 -0.000 0.000 0.197 18 D C 2.095 178.393 176.300 -0.003 0.000 0.987 18 D CA 1.136 55.125 54.000 -0.018 0.000 0.829 18 D CB 0.024 40.812 40.800 -0.020 0.000 0.961 18 D HN 0.232 nan 8.370 nan 0.000 0.460 19 K N 0.645 121.046 120.400 0.002 0.000 2.057 19 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 19 K C 2.004 178.615 176.600 0.018 0.000 1.050 19 K CA 1.182 57.475 56.287 0.009 0.000 0.935 19 K CB -0.009 32.497 32.500 0.010 0.000 0.715 19 K HN 0.003 nan 8.250 nan 0.000 0.439 20 A N 1.666 124.502 122.820 0.028 0.000 1.902 20 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 20 A C 2.061 179.667 177.584 0.036 0.000 1.181 20 A CA 1.794 53.856 52.037 0.041 0.000 0.623 20 A CB -0.515 18.525 19.000 0.067 0.000 0.818 20 A HN 0.395 nan 8.150 nan 0.000 0.443 21 K N 0.247 120.664 120.400 0.028 0.000 2.026 21 K HA -0.206 4.113 4.320 -0.000 0.000 0.208 21 K C 2.257 178.867 176.600 0.018 0.000 1.048 21 K CA 1.651 57.952 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 0.626 nan 8.250 nan 0.000 0.439 22 R N -0.015 120.493 120.500 0.013 0.000 2.236 22 R HA -0.028 4.312 4.340 -0.000 0.000 0.208 22 R C 0.993 177.300 176.300 0.012 0.000 1.036 22 R CA 1.224 57.330 56.100 0.010 0.000 1.001 22 R CB -0.071 30.233 30.300 0.006 0.000 0.896 22 R HN 0.261 nan 8.270 nan 0.000 0.464 23 E N 0.607 120.817 120.200 0.016 0.000 2.479 23 E HA 0.095 4.444 4.350 -0.000 0.000 0.193 23 E C 0.383 176.995 176.600 0.021 0.000 1.049 23 E CA 0.267 56.677 56.400 0.017 0.000 0.870 23 E CB 0.587 30.298 29.700 0.018 0.000 0.944 23 E HN 0.628 nan 8.360 nan 0.000 0.492 24 G N 2.137 110.952 108.800 0.024 0.000 2.176 24 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 24 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 24 G C 0.086 175.007 174.900 0.034 0.000 1.024 24 G CA -0.026 45.091 45.100 0.027 0.000 0.755 24 G HN 0.227 nan 8.290 nan 0.000 0.507 25 I N 0.669 121.263 120.570 0.040 0.000 2.304 25 I HA 0.234 4.404 4.170 -0.000 0.000 0.291 25 I C 0.868 177.024 176.117 0.064 0.000 1.018 25 I CA -0.469 60.860 61.300 0.048 0.000 1.260 25 I CB 1.429 39.458 38.000 0.048 0.000 1.390 25 I HN 0.241 nan 8.210 nan 0.000 0.475 26 Q N 5.318 125.156 119.800 0.063 0.000 2.332 26 Q HA 0.199 4.539 4.340 -0.000 0.000 0.263 26 Q C -0.088 175.970 176.000 0.097 0.000 0.979 26 Q CA -0.127 55.723 55.803 0.077 0.000 0.885 26 Q CB 1.004 29.779 28.738 0.062 0.000 1.218 26 Q HN 0.781 nan 8.270 nan 0.000 0.405 27 T N -0.763 113.873 114.554 0.137 0.000 2.938 27 T HA 0.205 4.555 4.350 -0.000 0.000 0.285 27 T C 0.845 175.627 174.700 0.136 0.000 1.028 27 T CA -0.485 61.718 62.100 0.173 0.000 1.005 27 T CB 1.054 70.116 68.868 0.323 0.000 1.157 27 T HN 0.427 nan 8.240 nan 0.000 0.550 28 V N 0.310 120.250 119.914 0.044 0.000 2.380 28 V HA -0.104 4.015 4.120 -0.000 0.000 0.251 28 V C 1.827 177.880 176.094 -0.067 0.000 1.063 28 V CA 1.653 63.884 62.300 -0.116 0.000 1.055 28 V CB -0.904 30.692 31.823 -0.378 0.000 0.657 28 V HN 0.845 nan 8.190 nan 0.000 0.455 29 W N -0.126 121.240 121.300 0.109 0.000 2.388 29 W HA -0.085 4.574 4.660 -0.000 0.000 0.294 29 W C 2.296 178.904 176.519 0.147 0.000 1.212 29 W CA 1.284 58.726 57.345 0.163 0.000 1.271 29 W CB -0.700 28.836 29.460 0.126 0.000 1.126 29 W HN 0.415 nan 8.180 nan 0.000 0.535 30 D N -0.202 120.385 120.400 0.312 0.000 2.144 30 D HA -0.113 4.526 4.640 -0.000 0.000 0.200 30 D C 2.109 178.488 176.300 0.133 0.000 0.978 30 D CA 1.180 55.290 54.000 0.183 0.000 0.833 30 D CB -0.377 40.507 40.800 0.141 0.000 0.961 30 D HN 0.213 nan 8.370 nan 0.000 0.470 31 R N -0.338 120.237 120.500 0.125 0.000 2.115 31 R HA -0.133 4.206 4.340 -0.000 0.000 0.230 31 R C 2.279 178.658 176.300 0.133 0.000 1.111 31 R CA 0.605 56.761 56.100 0.094 0.000 0.976 31 R CB -0.353 29.986 30.300 0.065 0.000 0.870 31 R HN 0.238 nan 8.270 nan 0.000 0.445 32 Y N 2.190 122.496 120.300 0.011 0.000 2.145 32 Y HA -0.238 4.311 4.550 -0.001 0.000 0.286 32 Y C 2.217 178.142 175.900 0.042 0.000 1.145 32 Y CA 1.774 59.881 58.100 0.013 0.000 1.148 32 Y CB -0.401 38.059 38.460 -0.001 0.000 0.981 32 Y HN -0.045 nan 8.280 nan 0.000 0.507 33 E N 0.432 120.585 120.200 -0.079 0.000 2.118 33 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 33 E C 2.169 178.699 176.600 -0.116 0.000 0.992 33 E CA 1.531 57.817 56.400 -0.190 0.000 0.804 33 E CB -0.585 29.089 29.700 -0.044 0.000 0.741 33 E HN 0.486 nan 8.360 nan 0.000 0.458 34 A N -0.419 122.384 122.820 -0.029 0.000 2.121 34 A HA -0.068 4.251 4.320 -0.000 0.000 0.218 34 A C 2.001 179.576 177.584 -0.014 0.000 1.154 34 A CA 1.390 53.420 52.037 -0.011 0.000 0.679 34 A CB -0.385 18.625 19.000 0.018 0.000 0.795 34 A HN 0.360 nan 8.150 nan 0.000 0.458 35 M N -0.468 119.122 119.600 -0.017 0.000 2.509 35 M HA 0.201 4.681 4.480 -0.000 0.000 0.250 35 M C 0.342 176.626 176.300 -0.027 0.000 1.132 35 M CA 0.557 55.861 55.300 0.007 0.000 1.080 35 M CB -0.118 32.527 32.600 0.076 0.000 1.408 35 M HN 0.115 nan 8.290 nan 0.000 0.484 36 K N 2.091 122.429 120.400 -0.104 0.000 2.237 36 K HA 0.290 4.610 4.320 -0.000 0.000 0.270 36 K C -2.187 174.378 176.600 -0.058 0.000 1.015 36 K CA -1.503 54.719 56.287 -0.108 0.000 0.949 36 K CB 0.016 32.396 32.500 -0.200 0.000 0.976 36 K HN 0.151 nan 8.250 nan 0.000 0.472 37 P HA 0.086 nan 4.420 nan 0.000 0.284 37 P C -0.959 176.339 177.300 -0.003 0.000 1.253 37 P CA -0.410 62.674 63.100 -0.027 0.000 0.800 37 P CB 0.946 32.634 31.700 -0.020 0.000 0.961 38 Q N 0.364 120.172 119.800 0.013 0.000 2.382 38 Q HA 0.205 4.544 4.340 -0.000 0.000 0.229 38 Q C 0.020 176.034 176.000 0.022 0.000 1.006 38 Q CA -0.440 55.384 55.803 0.035 0.000 0.916 38 Q CB 0.948 29.727 28.738 0.067 0.000 1.235 38 Q HN 0.552 nan 8.270 nan 0.000 0.512 39 C N 1.511 120.835 119.300 0.040 0.000 2.648 39 C HA 0.190 4.650 4.460 -0.000 0.000 0.415 39 C C 1.738 176.727 174.990 -0.002 0.000 1.366 39 C CA 0.066 59.115 59.018 0.053 0.000 1.756 39 C CB -0.893 26.915 27.740 0.114 0.000 2.549 39 C HN 0.976 nan 8.230 nan 0.000 0.597 40 G N 3.819 112.547 108.800 -0.121 0.000 2.484 40 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.218 40 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.218 40 G C 1.009 175.751 174.900 -0.263 0.000 1.130 40 G CA 0.516 45.481 45.100 -0.225 0.000 0.784 40 G HN 0.763 nan 8.290 nan 0.000 0.543 41 F N 1.538 121.476 119.950 -0.019 0.000 2.113 41 F HA 0.080 4.607 4.527 -0.000 0.000 0.297 41 F C 2.862 178.641 175.800 -0.035 0.000 1.103 41 F CA 1.087 59.067 58.000 -0.033 0.000 1.248 41 F CB -0.761 38.220 39.000 -0.032 0.000 0.999 41 F HN 0.150 nan 8.300 nan 0.000 0.475 42 G N -0.461 108.436 108.800 0.161 0.000 2.408 42 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 42 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 42 G C 1.514 176.429 174.900 0.024 0.000 1.150 42 G CA 0.710 45.855 45.100 0.075 0.000 0.776 42 G HN 0.355 nan 8.290 nan 0.000 0.542 43 E N 0.006 120.208 120.200 0.004 0.000 2.110 43 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 43 E C 2.728 179.308 176.600 -0.034 0.000 0.988 43 E CA 1.514 57.903 56.400 -0.018 0.000 0.804 43 E CB -0.115 29.569 29.700 -0.026 0.000 0.745 43 E HN 0.604 nan 8.360 nan 0.000 0.458 44 T N -3.565 110.965 114.554 -0.040 0.000 3.100 44 T HA 0.239 4.588 4.350 -0.000 0.000 0.253 44 T C 1.511 176.186 174.700 -0.042 0.000 1.118 44 T CA 0.439 62.507 62.100 -0.053 0.000 1.058 44 T CB 0.682 69.501 68.868 -0.082 0.000 0.953 44 T HN 0.280 nan 8.240 nan 0.000 0.515 45 G N 1.476 110.264 108.800 -0.019 0.000 2.176 45 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.253 45 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.253 45 G C 0.230 175.125 174.900 -0.009 0.000 0.979 45 G CA 0.088 45.176 45.100 -0.021 0.000 0.641 45 G HN 0.583 nan 8.290 nan 0.000 0.530 46 L N 0.919 122.158 121.223 0.027 0.000 2.796 46 L HA 0.516 4.855 4.340 -0.000 0.000 0.235 46 L C 0.661 177.578 176.870 0.078 0.000 1.344 46 L CA -0.347 54.523 54.840 0.050 0.000 1.245 46 L CB 0.210 42.321 42.059 0.087 0.000 1.556 46 L HN 0.373 nan 8.230 nan 0.000 0.423 47 C N 0.356 119.663 119.300 0.011 0.000 2.782 47 C HA 0.674 5.133 4.460 -0.000 0.000 0.328 47 C C -0.674 174.271 174.990 -0.075 0.000 1.145 47 C CA -0.983 58.018 59.018 -0.028 0.000 1.358 47 C CB 1.227 28.977 27.740 0.018 0.000 1.841 47 C HN 0.688 nan 8.230 nan 0.000 0.477 48 C N 5.792 125.029 119.300 -0.106 0.000 2.535 48 C HA 0.748 5.208 4.460 -0.000 0.000 0.319 48 C C 0.252 175.202 174.990 -0.067 0.000 1.171 48 C CA -0.400 58.519 59.018 -0.165 0.000 1.394 48 C CB 0.927 28.520 27.740 -0.245 0.000 1.990 48 C HN 1.052 nan 8.230 nan 0.000 0.466 49 R N 2.571 123.096 120.500 0.041 0.000 2.690 49 R HA 0.216 4.556 4.340 -0.000 0.000 0.419 49 R C 0.713 177.136 176.300 0.205 0.000 1.090 49 R CA -0.176 55.980 56.100 0.093 0.000 1.064 49 R CB -0.114 30.230 30.300 0.073 0.000 1.391 49 R HN 0.824 nan 8.270 nan 0.000 0.586 50 H N -0.740 118.320 119.070 -0.017 0.000 2.556 50 H HA 0.033 4.589 4.556 -0.001 0.000 0.268 50 H C 0.954 176.276 175.328 -0.009 0.000 0.996 50 H CA 0.079 56.121 56.048 -0.011 0.000 1.157 50 H CB 0.323 30.081 29.762 -0.007 0.000 1.355 50 H HN 0.342 nan 8.280 nan 0.000 0.597 51 C N -2.007 117.355 119.300 0.103 0.000 3.323 51 C HA 0.333 4.793 4.460 -0.000 0.000 0.324 51 C C 1.067 176.072 174.990 0.026 0.000 1.428 51 C CA -1.039 58.009 59.018 0.050 0.000 1.368 51 C CB 0.648 28.412 27.740 0.040 0.000 1.731 51 C HN 0.214 nan 8.230 nan 0.000 0.455 52 L N 0.893 122.124 121.223 0.013 0.000 2.627 52 L HA 0.103 4.443 4.340 -0.000 0.000 0.233 52 L C 2.257 179.126 176.870 -0.002 0.000 1.144 52 L CA 0.578 55.420 54.840 0.004 0.000 0.892 52 L CB -0.565 41.495 42.059 0.000 0.000 1.039 52 L HN 0.783 nan 8.230 nan 0.000 0.442 53 Q N 0.057 119.855 119.800 -0.002 0.000 2.389 53 Q HA 0.067 4.407 4.340 -0.000 0.000 0.204 53 Q C 1.419 177.407 176.000 -0.019 0.000 0.944 53 Q CA 0.356 56.153 55.803 -0.010 0.000 0.908 53 Q CB 0.224 28.956 28.738 -0.011 0.000 1.002 53 Q HN 0.529 nan 8.270 nan 0.000 0.493 54 G N 2.033 110.823 108.800 -0.016 0.000 2.553 54 G HA2 0.269 4.229 3.960 -0.000 0.000 0.278 54 G HA3 0.269 4.229 3.960 -0.000 0.000 0.278 54 G C -2.276 172.605 174.900 -0.031 0.000 1.349 54 G CA -0.885 44.198 45.100 -0.029 0.000 1.037 54 G HN 0.008 nan 8.290 nan 0.000 0.508 55 P HA 0.317 nan 4.420 nan 0.000 0.275 55 P C -0.716 176.528 177.300 -0.092 0.000 1.227 55 P CA -0.292 62.773 63.100 -0.059 0.000 0.781 55 P CB 0.991 32.652 31.700 -0.064 0.000 0.906 56 C N 3.545 122.786 119.300 -0.098 0.000 2.391 56 C HA 0.718 5.178 4.460 -0.000 0.000 0.339 56 C C 0.775 175.665 174.990 -0.166 0.000 1.205 56 C CA -0.301 58.644 59.018 -0.123 0.000 1.937 56 C CB 0.858 28.540 27.740 -0.097 0.000 2.341 56 C HN 0.725 nan 8.230 nan 0.000 0.516 57 R N 1.880 122.245 120.500 -0.225 0.000 2.799 57 R HA 0.871 5.210 4.340 -0.000 0.000 0.270 57 R C -2.016 174.177 176.300 -0.178 0.000 1.010 57 R CA -0.695 55.233 56.100 -0.286 0.000 0.916 57 R CB 1.174 31.024 30.300 -0.750 0.000 1.228 57 R HN 0.642 nan 8.270 nan 0.000 0.469 58 I N 1.686 122.242 120.570 -0.023 0.000 2.499 58 I HA 0.248 4.418 4.170 -0.000 0.000 0.288 58 I C -0.740 175.510 176.117 0.221 0.000 1.048 58 I CA -1.293 60.035 61.300 0.046 0.000 1.062 58 I CB 2.237 40.238 38.000 0.001 0.000 1.238 58 I HN 0.547 nan 8.210 nan 0.000 0.426 59 N N 7.592 126.416 118.700 0.208 0.000 2.454 59 N HA 0.062 4.801 4.740 -0.000 0.000 0.260 59 N C -1.691 173.806 175.510 -0.022 0.000 1.218 59 N CA -1.014 52.161 53.050 0.208 0.000 0.904 59 N CB 0.907 39.486 38.487 0.153 0.000 1.065 59 N HN 0.334 nan 8.380 nan 0.000 0.462 60 P HA -0.072 nan 4.420 nan 0.000 0.216 60 P C -0.440 176.362 177.300 -0.831 0.000 1.153 60 P CA 1.532 64.336 63.100 -0.494 0.000 0.858 60 P CB 0.230 31.679 31.700 -0.419 0.000 0.789 61 F N -3.404 116.547 119.950 0.000 0.000 2.613 61 F HA 0.599 5.126 4.527 -0.000 0.000 0.310 61 F C 1.021 176.829 175.800 0.014 0.000 1.085 61 F CA 0.050 58.051 58.000 0.003 0.000 0.945 61 F CB 1.669 40.664 39.000 -0.009 0.000 1.298 61 F HN 0.060 nan 8.300 nan 0.000 0.455 62 G N 1.492 110.428 108.800 0.227 0.000 2.460 62 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.207 62 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.207 62 G C -1.281 173.674 174.900 0.090 0.000 1.170 62 G CA -0.463 44.717 45.100 0.133 0.000 1.151 62 G HN 0.544 nan 8.290 nan 0.000 0.575 63 D N 0.807 121.251 120.400 0.072 0.000 2.589 63 D HA 0.540 5.180 4.640 -0.000 0.000 0.268 63 D C 0.585 176.913 176.300 0.046 0.000 1.182 63 D CA -0.410 53.620 54.000 0.051 0.000 1.087 63 D CB 0.138 40.963 40.800 0.042 0.000 1.186 63 D HN 0.573 nan 8.370 nan 0.000 0.620 64 E N 0.831 121.050 120.200 0.031 0.000 2.418 64 E HA 0.172 4.522 4.350 -0.000 0.000 0.261 64 E C -1.930 174.684 176.600 0.024 0.000 1.070 64 E CA -1.012 55.400 56.400 0.020 0.000 0.931 64 E CB 0.182 29.887 29.700 0.008 0.000 0.954 64 E HN 0.185 nan 8.360 nan 0.000 0.439 65 P HA 0.076 nan 4.420 nan 0.000 0.275 65 P C -0.651 176.649 177.300 0.000 0.000 1.227 65 P CA 0.015 63.107 63.100 -0.012 0.000 0.781 65 P CB 1.015 32.683 31.700 -0.053 0.000 0.906 66 K N 0.544 120.940 120.400 -0.007 0.000 2.391 66 K HA 0.287 4.606 4.320 -0.000 0.000 0.197 66 K C 0.299 176.887 176.600 -0.021 0.000 1.087 66 K CA 0.003 56.285 56.287 -0.008 0.000 1.012 66 K CB 1.037 33.535 32.500 -0.003 0.000 0.925 66 K HN 0.244 nan 8.250 nan 0.000 0.547 67 V N 0.089 119.987 119.914 -0.027 0.000 3.120 67 V HA 0.538 4.657 4.120 -0.000 0.000 0.303 67 V C -0.861 175.208 176.094 -0.041 0.000 1.238 67 V CA -0.836 61.445 62.300 -0.032 0.000 1.008 67 V CB 1.756 33.565 31.823 -0.024 0.000 1.064 67 V HN 0.246 nan 8.190 nan 0.000 0.434 68 G N 3.280 112.052 108.800 -0.048 0.000 2.636 68 G HA2 0.324 4.284 3.960 -0.000 0.000 0.246 68 G HA3 0.324 4.284 3.960 -0.000 0.000 0.246 68 G C 0.856 175.731 174.900 -0.042 0.000 1.216 68 G CA -0.006 45.061 45.100 -0.054 0.000 0.854 68 G HN 0.861 nan 8.290 nan 0.000 0.572 69 I N 0.361 120.906 120.570 -0.042 0.000 2.286 69 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 69 I C 2.728 178.831 176.117 -0.023 0.000 1.115 69 I CA 1.570 62.851 61.300 -0.031 0.000 1.392 69 I CB -0.125 37.856 38.000 -0.030 0.000 1.065 69 I HN 0.652 nan 8.210 nan 0.000 0.418 70 C N -0.094 119.193 119.300 -0.022 0.000 2.539 70 C HA 0.465 4.925 4.460 -0.000 0.000 0.271 70 C C 1.768 176.748 174.990 -0.015 0.000 1.412 70 C CA -0.089 58.920 59.018 -0.015 0.000 1.729 70 C CB -0.970 26.764 27.740 -0.010 0.000 1.739 70 C HN 0.723 nan 8.230 nan 0.000 0.570 71 G N 0.047 108.835 108.800 -0.021 0.000 2.179 71 G HA2 0.141 4.100 3.960 -0.000 0.000 0.220 71 G HA3 0.141 4.100 3.960 -0.000 0.000 0.220 71 G C 0.200 175.086 174.900 -0.024 0.000 0.990 71 G CA 0.108 45.196 45.100 -0.019 0.000 0.646 71 G HN 1.499 nan 8.290 nan 0.000 0.517 72 A N 1.252 124.053 122.820 -0.032 0.000 2.492 72 A HA 0.616 4.936 4.320 -0.000 0.000 0.254 72 A C 1.145 178.703 177.584 -0.042 0.000 1.091 72 A CA 1.292 53.306 52.037 -0.040 0.000 0.768 72 A CB -0.017 18.950 19.000 -0.057 0.000 1.028 72 A HN 1.744 nan 8.150 nan 0.000 0.498 73 T N -0.038 114.495 114.554 -0.036 0.000 2.788 73 T HA 0.504 4.854 4.350 -0.000 0.000 0.280 73 T C 1.466 176.139 174.700 -0.044 0.000 0.984 73 T CA -0.069 62.010 62.100 -0.036 0.000 0.972 73 T CB 1.010 69.861 68.868 -0.027 0.000 1.039 73 T HN 1.137 nan 8.240 nan 0.000 0.530 74 A N 0.603 123.396 122.820 -0.045 0.000 1.908 74 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 74 A C 2.321 179.875 177.584 -0.050 0.000 1.181 74 A CA 1.838 53.844 52.037 -0.052 0.000 0.627 74 A CB -1.099 17.864 19.000 -0.062 0.000 0.818 74 A HN 1.022 nan 8.150 nan 0.000 0.445 75 E N -0.295 119.881 120.200 -0.040 0.000 2.106 75 E HA -0.096 4.253 4.350 -0.000 0.000 0.192 75 E C 1.748 178.329 176.600 -0.032 0.000 0.984 75 E CA 1.380 57.760 56.400 -0.033 0.000 0.806 75 E CB -0.538 29.148 29.700 -0.023 0.000 0.750 75 E HN 0.287 nan 8.360 nan 0.000 0.458 76 V N 1.892 121.786 119.914 -0.034 0.000 2.295 76 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 76 V C 2.498 178.560 176.094 -0.054 0.000 1.049 76 V CA 1.716 63.994 62.300 -0.036 0.000 1.024 76 V CB -0.419 31.383 31.823 -0.034 0.000 0.648 76 V HN 0.285 nan 8.190 nan 0.000 0.447 77 I N -0.483 120.042 120.570 -0.074 0.000 2.226 77 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 77 I C 2.382 178.447 176.117 -0.087 0.000 1.100 77 I CA 1.252 62.485 61.300 -0.112 0.000 1.374 77 I CB -0.358 37.575 38.000 -0.111 0.000 1.057 77 I HN 0.148 nan 8.210 nan 0.000 0.413 78 V N 0.942 120.819 119.914 -0.061 0.000 2.295 78 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 78 V C 2.671 178.744 176.094 -0.034 0.000 1.049 78 V CA 2.057 64.328 62.300 -0.048 0.000 1.024 78 V CB -0.897 30.897 31.823 -0.048 0.000 0.648 78 V HN 0.501 nan 8.190 nan 0.000 0.447 79 A N -0.333 122.471 122.820 -0.026 0.000 1.930 79 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 79 A C 2.366 179.954 177.584 0.007 0.000 1.175 79 A CA 1.527 53.560 52.037 -0.008 0.000 0.627 79 A CB -0.437 18.561 19.000 -0.003 0.000 0.815 79 A HN 0.503 nan 8.150 nan 0.000 0.443 80 R N -0.911 119.591 120.500 0.003 0.000 2.075 80 R HA -0.085 4.254 4.340 -0.000 0.000 0.232 80 R C 2.424 178.781 176.300 0.095 0.000 1.126 80 R CA 1.133 57.265 56.100 0.053 0.000 0.963 80 R CB -0.620 29.700 30.300 0.032 0.000 0.858 80 R HN 0.522 nan 8.270 nan 0.000 0.435 81 G N 1.444 110.268 108.800 0.039 0.000 2.418 81 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 81 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 81 G C 1.361 176.285 174.900 0.040 0.000 1.158 81 G CA 0.339 45.478 45.100 0.066 0.000 0.771 81 G HN 0.165 nan 8.290 nan 0.000 0.545 82 L N 0.889 122.119 121.223 0.012 0.000 2.046 82 L HA -0.013 4.326 4.340 -0.000 0.000 0.208 82 L C 2.124 179.010 176.870 0.025 0.000 1.077 82 L CA 2.178 57.018 54.840 0.001 0.000 0.747 82 L CB -0.531 41.518 42.059 -0.017 0.000 0.896 82 L HN 0.070 nan 8.230 nan 0.000 0.432 83 D N -0.509 119.914 120.400 0.039 0.000 2.123 83 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 83 D C 2.343 178.670 176.300 0.046 0.000 0.992 83 D CA 1.173 55.201 54.000 0.047 0.000 0.833 83 D CB -0.083 40.745 40.800 0.047 0.000 0.954 83 D HN 0.337 nan 8.370 nan 0.000 0.455 84 R N 0.232 120.762 120.500 0.050 0.000 2.120 84 R HA -0.019 4.321 4.340 -0.000 0.000 0.234 84 R C 2.349 178.660 176.300 0.019 0.000 1.123 84 R CA 0.931 57.048 56.100 0.028 0.000 0.975 84 R CB -0.149 30.165 30.300 0.024 0.000 0.866 84 R HN 0.058 nan 8.270 nan 0.000 0.446 85 S N 1.052 116.762 115.700 0.018 0.000 2.368 85 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 85 S C 1.957 176.575 174.600 0.029 0.000 1.030 85 S CA 1.037 59.239 58.200 0.004 0.000 0.999 85 S CB -0.123 63.072 63.200 -0.009 0.000 0.844 85 S HN 0.219 nan 8.310 nan 0.000 0.459 86 I N 1.642 122.242 120.570 0.049 0.000 2.226 86 I HA -0.199 3.970 4.170 -0.000 0.000 0.245 86 I C 2.668 178.835 176.117 0.085 0.000 1.100 86 I CA 1.090 62.439 61.300 0.082 0.000 1.374 86 I CB -0.451 37.606 38.000 0.095 0.000 1.057 86 I HN 0.262 nan 8.210 nan 0.000 0.413 87 A N 0.705 123.562 122.820 0.061 0.000 1.902 87 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 87 A C 2.543 180.155 177.584 0.047 0.000 1.181 87 A CA 1.779 53.849 52.037 0.055 0.000 0.623 87 A CB -0.807 18.214 19.000 0.035 0.000 0.818 87 A HN 0.424 nan 8.150 nan 0.000 0.443 88 A N -0.416 122.421 122.820 0.029 0.000 1.902 88 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 88 A C 2.412 180.015 177.584 0.032 0.000 1.181 88 A CA 1.941 53.988 52.037 0.016 0.000 0.623 88 A CB -1.389 17.604 19.000 -0.011 0.000 0.818 88 A HN 0.712 nan 8.150 nan 0.000 0.443 89 G N -0.451 108.381 108.800 0.054 0.000 2.421 89 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.216 89 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.216 89 G C 1.767 176.695 174.900 0.046 0.000 1.171 89 G CA 1.503 46.632 45.100 0.048 0.000 0.775 89 G HN 0.828 nan 8.290 nan 0.000 0.543 90 A N 1.120 124.016 122.820 0.127 0.000 1.940 90 A HA 0.226 4.545 4.320 -0.000 0.000 0.219 90 A C 2.786 180.444 177.584 0.122 0.000 1.176 90 A CA 2.283 54.419 52.037 0.164 0.000 0.631 90 A CB -0.707 18.379 19.000 0.143 0.000 0.814 90 A HN 0.822 nan 8.150 nan 0.000 0.446 91 A N -0.619 122.245 122.820 0.074 0.000 1.969 91 A HA 0.166 4.485 4.320 -0.000 0.000 0.218 91 A C 2.337 179.931 177.584 0.016 0.000 1.169 91 A CA 1.825 53.896 52.037 0.057 0.000 0.635 91 A CB -1.166 17.850 19.000 0.026 0.000 0.810 91 A HN 0.664 nan 8.150 nan 0.000 0.445 92 G N -1.196 107.578 108.800 -0.044 0.000 2.394 92 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.214 92 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.214 92 G C 1.393 176.258 174.900 -0.058 0.000 1.176 92 G CA 1.074 46.095 45.100 -0.131 0.000 0.786 92 G HN 0.736 nan 8.290 nan 0.000 0.533 93 H N 0.475 119.568 119.070 0.040 0.000 2.423 93 H HA -0.025 4.531 4.556 -0.000 0.000 0.297 93 H C 2.894 178.291 175.328 0.116 0.000 1.075 93 H CA 1.273 57.346 56.048 0.041 0.000 1.342 93 H CB 0.319 30.107 29.762 0.043 0.000 1.395 93 H HN 0.536 nan 8.280 nan 0.000 0.530 94 S N -0.406 115.451 115.700 0.261 0.000 2.470 94 S HA -0.006 4.464 4.470 -0.000 0.000 0.225 94 S C 2.357 177.147 174.600 0.316 0.000 1.006 94 S CA 0.426 58.836 58.200 0.351 0.000 0.934 94 S CB -0.233 63.211 63.200 0.407 0.000 0.778 94 S HN 0.452 nan 8.310 nan 0.000 0.517 95 G N 1.375 110.259 108.800 0.140 0.000 2.440 95 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 95 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 95 G C 1.240 176.207 174.900 0.113 0.000 1.154 95 G CA 1.083 46.186 45.100 0.006 0.000 0.767 95 G HN 0.760 nan 8.290 nan 0.000 0.552 96 H N 0.651 119.779 119.070 0.096 0.000 2.321 96 H HA 0.093 4.649 4.556 -0.001 0.000 0.300 96 H C 2.751 178.233 175.328 0.258 0.000 1.087 96 H CA 1.672 57.898 56.048 0.297 0.000 1.319 96 H CB -0.065 29.894 29.762 0.329 0.000 1.379 96 H HN 0.306 nan 8.280 nan 0.000 0.501 97 A N 0.945 124.041 122.820 0.459 0.000 1.902 97 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 97 A C 2.314 180.026 177.584 0.214 0.000 1.181 97 A CA 1.619 53.844 52.037 0.314 0.000 0.623 97 A CB -0.583 18.550 19.000 0.221 0.000 0.818 97 A HN 0.511 nan 8.150 nan 0.000 0.443 98 K N -1.274 119.233 120.400 0.178 0.000 2.097 98 K HA -0.256 4.064 4.320 -0.000 0.000 0.206 98 K C 2.096 178.760 176.600 0.105 0.000 1.049 98 K CA 1.631 57.866 56.287 -0.087 0.000 0.933 98 K CB -0.313 31.954 32.500 -0.389 0.000 0.717 98 K HN 0.606 nan 8.250 nan 0.000 0.442 99 H N 1.108 120.230 119.070 0.087 0.000 2.319 99 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 99 H C 1.912 177.291 175.328 0.085 0.000 1.092 99 H CA 1.849 57.972 56.048 0.125 0.000 1.302 99 H CB -0.402 29.456 29.762 0.160 0.000 1.373 99 H HN 0.152 nan 8.280 nan 0.000 0.497 100 L N -0.365 120.919 121.223 0.103 0.000 2.093 100 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 100 L C 2.900 179.760 176.870 -0.016 0.000 1.085 100 L CA 1.069 55.906 54.840 -0.006 0.000 0.755 100 L CB -0.592 41.494 42.059 0.046 0.000 0.904 100 L HN 0.351 nan 8.230 nan 0.000 0.435 101 A N -0.953 121.850 122.820 -0.030 0.000 1.902 101 A HA -0.239 4.080 4.320 -0.000 0.000 0.217 101 A C 2.146 179.666 177.584 -0.106 0.000 1.181 101 A CA 1.472 53.446 52.037 -0.105 0.000 0.623 101 A CB -0.756 18.136 19.000 -0.179 0.000 0.818 101 A HN 0.420 nan 8.150 nan 0.000 0.443 102 H N -0.448 118.618 119.070 -0.006 0.000 2.423 102 H HA -0.069 4.487 4.556 -0.001 0.000 0.297 102 H C 2.245 177.555 175.328 -0.031 0.000 1.075 102 H CA 1.844 57.887 56.048 -0.008 0.000 1.342 102 H CB -0.481 29.286 29.762 0.008 0.000 1.395 102 H HN 0.465 nan 8.280 nan 0.000 0.530 103 T N 1.577 116.158 114.554 0.044 0.000 2.777 103 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 103 T C 2.208 176.833 174.700 -0.124 0.000 1.040 103 T CA 0.782 62.804 62.100 -0.130 0.000 1.141 103 T CB -0.373 68.306 68.868 -0.315 0.000 0.868 103 T HN 0.083 nan 8.240 nan 0.000 0.444 104 L N 1.544 122.713 121.223 -0.091 0.000 2.046 104 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 104 L C 2.331 179.190 176.870 -0.018 0.000 1.077 104 L CA 1.871 56.674 54.840 -0.062 0.000 0.747 104 L CB -0.549 41.480 42.059 -0.050 0.000 0.896 104 L HN 0.079 nan 8.230 nan 0.000 0.432 105 K N -0.394 120.004 120.400 -0.003 0.000 2.009 105 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 105 K C 2.164 178.783 176.600 0.031 0.000 1.049 105 K CA 1.884 58.184 56.287 0.022 0.000 0.929 105 K CB -0.091 32.433 32.500 0.040 0.000 0.714 105 K HN 0.327 nan 8.250 nan 0.000 0.440 106 K N -0.012 120.409 120.400 0.034 0.000 2.063 106 K HA -0.147 4.172 4.320 -0.000 0.000 0.208 106 K C 2.149 178.773 176.600 0.040 0.000 1.048 106 K CA 1.342 57.650 56.287 0.035 0.000 0.928 106 K CB -0.173 32.343 32.500 0.027 0.000 0.713 106 K HN 0.220 nan 8.250 nan 0.000 0.442 107 A N 1.181 124.023 122.820 0.036 0.000 1.902 107 A HA -0.128 4.191 4.320 -0.000 0.000 0.217 107 A C 2.311 179.926 177.584 0.052 0.000 1.181 107 A CA 1.858 53.938 52.037 0.072 0.000 0.623 107 A CB -0.692 18.358 19.000 0.082 0.000 0.818 107 A HN 0.225 nan 8.150 nan 0.000 0.443 108 V N -3.076 116.858 119.914 0.035 0.000 3.306 108 V HA -0.021 4.099 4.120 -0.000 0.000 0.264 108 V C 1.519 177.631 176.094 0.029 0.000 1.149 108 V CA 1.503 63.821 62.300 0.031 0.000 1.143 108 V CB -0.743 31.094 31.823 0.024 0.000 0.767 108 V HN 0.569 nan 8.190 nan 0.000 0.476 109 Q N 1.099 120.917 119.800 0.031 0.000 2.365 109 Q HA 0.316 4.655 4.340 -0.000 0.000 0.203 109 Q C 1.650 177.668 176.000 0.029 0.000 0.929 109 Q CA 0.488 56.308 55.803 0.029 0.000 0.948 109 Q CB 0.314 29.070 28.738 0.030 0.000 1.043 109 Q HN 0.913 nan 8.270 nan 0.000 0.505 110 G N 1.465 110.285 108.800 0.033 0.000 2.153 110 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.252 110 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.252 110 G C 0.655 175.576 174.900 0.034 0.000 0.994 110 G CA 0.633 45.752 45.100 0.032 0.000 0.698 110 G HN 0.328 nan 8.290 nan 0.000 0.521 111 K N -0.323 120.101 120.400 0.040 0.000 2.367 111 K HA 0.540 4.860 4.320 -0.000 0.000 0.194 111 K C 1.034 177.666 176.600 0.053 0.000 1.027 111 K CA 0.775 57.084 56.287 0.036 0.000 1.075 111 K CB 0.697 33.215 32.500 0.030 0.000 0.845 111 K HN 0.743 nan 8.250 nan 0.000 0.529 112 A N 0.466 123.338 122.820 0.086 0.000 3.156 112 A HA 0.512 4.832 4.320 -0.000 0.000 0.311 112 A C 0.375 178.071 177.584 0.187 0.000 1.129 112 A CA -0.457 51.675 52.037 0.160 0.000 0.809 112 A CB 0.551 19.682 19.000 0.219 0.000 1.257 112 A HN 0.121 nan 8.150 nan 0.000 0.491 113 A N 0.247 123.124 122.820 0.095 0.000 2.121 113 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 113 A C 2.008 179.598 177.584 0.010 0.000 1.154 113 A CA 1.935 54.003 52.037 0.052 0.000 0.679 113 A CB -0.173 18.839 19.000 0.020 0.000 0.795 113 A HN 0.798 nan 8.150 nan 0.000 0.458 114 S N -1.600 114.076 115.700 -0.041 0.000 2.555 114 S HA 0.112 4.582 4.470 -0.000 0.000 0.230 114 S C -0.150 174.207 174.600 -0.404 0.000 0.978 114 S CA 0.300 58.351 58.200 -0.247 0.000 0.934 114 S CB -0.295 62.648 63.200 -0.429 0.000 0.766 114 S HN 0.546 nan 8.310 nan 0.000 0.533 115 Y N 0.984 121.319 120.300 0.058 0.000 2.509 115 Y HA 0.681 5.231 4.550 -0.000 0.000 0.341 115 Y C 0.157 176.056 175.900 -0.002 0.000 1.038 115 Y CA -1.194 56.931 58.100 0.042 0.000 1.089 115 Y CB 1.350 39.830 38.460 0.034 0.000 1.241 115 Y HN 0.088 nan 8.280 nan 0.000 0.468 116 M N 0.529 120.198 119.600 0.114 0.000 2.833 116 M HA 0.557 5.037 4.480 -0.000 0.000 0.270 116 M C -2.007 174.292 176.300 -0.001 0.000 1.209 116 M CA -0.869 54.460 55.300 0.048 0.000 0.826 116 M CB 1.887 34.508 32.600 0.036 0.000 1.657 116 M HN 0.502 nan 8.290 nan 0.000 0.492 117 I N 2.561 123.135 120.570 0.007 0.000 2.389 117 I HA 0.104 4.273 4.170 -0.000 0.000 0.295 117 I C 0.900 177.021 176.117 0.006 0.000 1.117 117 I CA 0.046 61.346 61.300 0.001 0.000 1.317 117 I CB 0.286 38.303 38.000 0.027 0.000 1.431 117 I HN 0.700 nan 8.210 nan 0.000 0.521 118 K N 2.968 123.363 120.400 -0.008 0.000 2.099 118 K HA -0.000 4.319 4.320 -0.000 0.000 0.203 118 K C 0.484 177.095 176.600 0.019 0.000 1.047 118 K CA 0.653 56.950 56.287 0.016 0.000 0.963 118 K CB 0.188 32.709 32.500 0.035 0.000 0.759 118 K HN 0.475 nan 8.250 nan 0.000 0.451 119 D N 1.166 121.577 120.400 0.017 0.000 2.485 119 D HA 0.058 4.698 4.640 -0.000 0.000 0.229 119 D C 0.628 176.952 176.300 0.041 0.000 1.101 119 D CA -0.082 53.933 54.000 0.026 0.000 0.906 119 D CB 0.737 41.555 40.800 0.030 0.000 1.019 119 D HN -0.001 nan 8.370 nan 0.000 0.516 120 R N 1.803 122.321 120.500 0.031 0.000 2.092 120 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 120 R C 1.214 177.540 176.300 0.042 0.000 1.119 120 R CA 1.380 57.511 56.100 0.052 0.000 0.970 120 R CB 0.190 30.484 30.300 -0.010 0.000 0.864 120 R HN 0.226 nan 8.270 nan 0.000 0.440 121 T N 0.864 115.411 114.554 -0.011 0.000 2.746 121 T HA -0.158 4.191 4.350 -0.000 0.000 0.267 121 T C 1.640 176.378 174.700 0.064 0.000 1.039 121 T CA 1.788 63.880 62.100 -0.012 0.000 1.142 121 T CB -0.135 68.724 68.868 -0.016 0.000 0.866 121 T HN 0.258 nan 8.240 nan 0.000 0.444 122 K N 0.760 121.200 120.400 0.067 0.000 2.057 122 K HA -0.013 4.307 4.320 -0.000 0.000 0.206 122 K C 2.127 178.795 176.600 0.114 0.000 1.050 122 K CA 0.765 57.102 56.287 0.084 0.000 0.935 122 K CB -0.514 32.029 32.500 0.072 0.000 0.715 122 K HN 0.177 nan 8.250 nan 0.000 0.439 123 L N 0.875 122.177 121.223 0.132 0.000 2.013 123 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 123 L C 2.000 178.949 176.870 0.132 0.000 1.073 123 L CA 2.004 56.926 54.840 0.137 0.000 0.753 123 L CB -0.690 41.459 42.059 0.151 0.000 0.890 123 L HN 0.390 nan 8.230 nan 0.000 0.432 124 H N -1.004 118.077 119.070 0.020 0.000 2.389 124 H HA -0.087 4.468 4.556 -0.000 0.000 0.299 124 H C 2.338 177.668 175.328 0.002 0.000 1.081 124 H CA 1.424 57.477 56.048 0.009 0.000 1.345 124 H CB -0.007 29.759 29.762 0.006 0.000 1.393 124 H HN 0.595 nan 8.280 nan 0.000 0.520 125 S N 0.806 116.586 115.700 0.134 0.000 2.383 125 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 125 S C 2.199 176.813 174.600 0.023 0.000 1.026 125 S CA 0.783 59.022 58.200 0.064 0.000 0.981 125 S CB -0.612 62.623 63.200 0.059 0.000 0.818 125 S HN 0.266 nan 8.310 nan 0.000 0.472 126 I N 2.478 123.071 120.570 0.039 0.000 2.202 126 I HA -0.132 4.038 4.170 -0.000 0.000 0.242 126 I C 3.086 179.159 176.117 -0.073 0.000 1.091 126 I CA 1.062 62.362 61.300 -0.001 0.000 1.368 126 I CB -0.728 37.331 38.000 0.097 0.000 1.058 126 I HN 0.391 nan 8.210 nan 0.000 0.410 127 A N 0.653 123.447 122.820 -0.042 0.000 1.892 127 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 127 A C 2.397 179.924 177.584 -0.095 0.000 1.188 127 A CA 2.024 54.012 52.037 -0.081 0.000 0.631 127 A CB -0.623 18.311 19.000 -0.111 0.000 0.822 127 A HN 0.318 nan 8.150 nan 0.000 0.447 128 K N -0.882 119.479 120.400 -0.066 0.000 2.057 128 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 128 K C 2.385 178.928 176.600 -0.094 0.000 1.049 128 K CA 1.499 57.749 56.287 -0.062 0.000 0.931 128 K CB -0.177 32.308 32.500 -0.025 0.000 0.714 128 K HN 0.471 nan 8.250 nan 0.000 0.440 129 R N 0.607 121.036 120.500 -0.119 0.000 2.120 129 R HA -0.068 4.272 4.340 -0.000 0.000 0.234 129 R C 2.012 178.171 176.300 -0.235 0.000 1.123 129 R CA 1.005 57.002 56.100 -0.171 0.000 0.975 129 R CB -0.050 30.127 30.300 -0.205 0.000 0.866 129 R HN 0.193 nan 8.270 nan 0.000 0.446 130 L N -0.675 120.390 121.223 -0.264 0.000 2.492 130 L HA 0.154 4.494 4.340 -0.000 0.000 0.223 130 L C 1.121 177.879 176.870 -0.186 0.000 1.132 130 L CA 0.615 55.276 54.840 -0.298 0.000 0.850 130 L CB 0.233 42.091 42.059 -0.334 0.000 0.966 130 L HN 0.571 nan 8.230 nan 0.000 0.454 131 G N 0.961 109.677 108.800 -0.140 0.000 2.137 131 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.237 131 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.237 131 G C 0.121 174.974 174.900 -0.079 0.000 1.002 131 G CA -0.296 44.745 45.100 -0.098 0.000 0.702 131 G HN 0.273 nan 8.290 nan 0.000 0.515 132 I N 2.193 122.712 120.570 -0.084 0.000 2.352 132 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 132 I C -1.634 174.443 176.117 -0.068 0.000 1.036 132 I CA -2.227 59.032 61.300 -0.068 0.000 1.336 132 I CB 1.152 39.112 38.000 -0.066 0.000 1.407 132 I HN -0.107 nan 8.210 nan 0.000 0.497 133 P HA 0.061 nan 4.420 nan 0.000 0.268 133 P C 0.497 177.756 177.300 -0.069 0.000 1.205 133 P CA -0.080 62.990 63.100 -0.049 0.000 0.771 133 P CB 0.694 32.373 31.700 -0.034 0.000 0.858 134 T N -2.184 112.331 114.554 -0.065 0.000 2.964 134 T HA 0.018 4.368 4.350 -0.000 0.000 0.249 134 T C 0.535 175.223 174.700 -0.019 0.000 1.000 134 T CA -0.239 61.801 62.100 -0.099 0.000 0.992 134 T CB -0.265 68.520 68.868 -0.139 0.000 1.087 134 T HN 0.432 nan 8.240 nan 0.000 0.489 135 E N 2.588 122.790 120.200 0.004 0.000 2.417 135 E HA 0.307 4.657 4.350 -0.000 0.000 0.261 135 E C 1.171 177.780 176.600 0.015 0.000 1.000 135 E CA 0.604 57.017 56.400 0.022 0.000 0.919 135 E CB 0.023 29.732 29.700 0.015 0.000 0.955 135 E HN 0.619 nan 8.360 nan 0.000 0.455 136 G N 2.982 111.797 108.800 0.026 0.000 2.184 136 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.264 136 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.264 136 G C -0.009 174.900 174.900 0.016 0.000 0.975 136 G CA 0.384 45.495 45.100 0.019 0.000 0.642 136 G HN 0.559 nan 8.290 nan 0.000 0.536 137 Q N 0.327 120.135 119.800 0.014 0.000 2.235 137 Q HA 0.496 4.836 4.340 -0.000 0.000 0.256 137 Q C 0.381 176.391 176.000 0.018 0.000 0.951 137 Q CA -0.448 55.356 55.803 0.001 0.000 0.890 137 Q CB 1.288 30.008 28.738 -0.030 0.000 1.279 137 Q HN 0.483 nan 8.270 nan 0.000 0.444 138 K N 1.269 121.679 120.400 0.016 0.000 2.295 138 K HA 0.025 4.344 4.320 -0.000 0.000 0.270 138 K C 0.411 177.028 176.600 0.030 0.000 1.011 138 K CA -0.404 55.901 56.287 0.030 0.000 0.953 138 K CB 0.572 33.086 32.500 0.023 0.000 0.956 138 K HN 0.392 nan 8.250 nan 0.000 0.477 139 D N 2.433 122.873 120.400 0.066 0.000 2.123 139 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 139 D C 1.334 177.654 176.300 0.034 0.000 0.992 139 D CA 1.573 55.620 54.000 0.078 0.000 0.833 139 D CB 0.161 41.033 40.800 0.120 0.000 0.954 139 D HN 0.510 nan 8.370 nan 0.000 0.455 140 E N 0.525 120.743 120.200 0.031 0.000 2.153 140 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 140 E C 1.596 178.203 176.600 0.013 0.000 0.988 140 E CA 0.852 57.265 56.400 0.023 0.000 0.811 140 E CB -0.031 29.683 29.700 0.024 0.000 0.746 140 E HN 0.265 nan 8.360 nan 0.000 0.466 141 D N -0.050 120.354 120.400 0.006 0.000 2.149 141 D HA -0.067 4.573 4.640 -0.000 0.000 0.201 141 D C 1.961 178.252 176.300 -0.015 0.000 0.972 141 D CA 0.685 54.684 54.000 -0.001 0.000 0.835 141 D CB -0.095 40.703 40.800 -0.003 0.000 0.966 141 D HN 0.202 nan 8.370 nan 0.000 0.476 142 I N 1.381 121.928 120.570 -0.038 0.000 2.179 142 I HA -0.258 3.911 4.170 -0.000 0.000 0.242 142 I C 2.506 178.603 176.117 -0.033 0.000 1.088 142 I CA 1.154 62.410 61.300 -0.073 0.000 1.357 142 I CB -0.223 37.667 38.000 -0.182 0.000 1.051 142 I HN -0.084 nan 8.210 nan 0.000 0.409 143 A N 0.515 123.328 122.820 -0.012 0.000 1.933 143 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 143 A C 2.253 179.849 177.584 0.020 0.000 1.175 143 A CA 1.411 53.456 52.037 0.013 0.000 0.628 143 A CB -0.753 18.258 19.000 0.019 0.000 0.814 143 A HN 0.393 nan 8.150 nan 0.000 0.444 144 L N -0.281 120.952 121.223 0.016 0.000 2.083 144 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 144 L C 2.103 178.990 176.870 0.028 0.000 1.083 144 L CA 2.141 56.994 54.840 0.021 0.000 0.752 144 L CB -0.445 41.626 42.059 0.019 0.000 0.899 144 L HN 0.324 nan 8.230 nan 0.000 0.433 145 E N -0.709 119.504 120.200 0.021 0.000 2.152 145 E HA -0.106 4.243 4.350 -0.000 0.000 0.192 145 E C 2.347 178.982 176.600 0.057 0.000 0.983 145 E CA 1.254 57.670 56.400 0.028 0.000 0.818 145 E CB -0.399 29.303 29.700 0.004 0.000 0.758 145 E HN 0.413 nan 8.360 nan 0.000 0.467 146 V N 1.501 121.454 119.914 0.066 0.000 2.358 146 V HA -0.210 3.909 4.120 -0.000 0.000 0.246 146 V C 2.399 178.596 176.094 0.173 0.000 1.047 146 V CA 1.722 64.110 62.300 0.146 0.000 1.035 146 V CB -0.743 31.161 31.823 0.135 0.000 0.658 146 V HN 0.231 nan 8.190 nan 0.000 0.452 147 A N -0.439 122.433 122.820 0.087 0.000 1.930 147 A HA -0.210 4.109 4.320 -0.000 0.000 0.217 147 A C 2.290 179.897 177.584 0.039 0.000 1.175 147 A CA 1.760 53.820 52.037 0.038 0.000 0.627 147 A CB -0.389 18.613 19.000 0.004 0.000 0.815 147 A HN 0.521 nan 8.150 nan 0.000 0.443 148 K N -0.357 120.078 120.400 0.058 0.000 2.097 148 K HA -0.043 4.277 4.320 -0.000 0.000 0.206 148 K C 2.267 178.929 176.600 0.103 0.000 1.049 148 K CA 1.043 57.370 56.287 0.067 0.000 0.933 148 K CB -0.278 32.259 32.500 0.061 0.000 0.717 148 K HN 0.445 nan 8.250 nan 0.000 0.442 149 A N 1.465 124.372 122.820 0.145 0.000 1.930 149 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 149 A C 2.345 180.120 177.584 0.318 0.000 1.175 149 A CA 1.665 53.829 52.037 0.213 0.000 0.627 149 A CB -0.554 18.580 19.000 0.223 0.000 0.815 149 A HN 0.320 nan 8.150 nan 0.000 0.443 150 A N -0.028 122.939 122.820 0.245 0.000 1.883 150 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 150 A C 2.147 179.794 177.584 0.106 0.000 1.186 150 A CA 1.590 53.572 52.037 -0.092 0.000 0.624 150 A CB -0.669 18.164 19.000 -0.278 0.000 0.822 150 A HN 0.469 nan 8.150 nan 0.000 0.444 151 L N -0.856 120.440 121.223 0.121 0.000 2.141 151 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 151 L C 2.983 179.999 176.870 0.244 0.000 1.094 151 L CA 0.868 55.827 54.840 0.198 0.000 0.763 151 L CB -0.439 41.618 42.059 -0.003 0.000 0.908 151 L HN 0.441 nan 8.230 nan 0.000 0.437 152 A N -0.640 122.236 122.820 0.092 0.000 2.015 152 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 152 A C 1.778 179.127 177.584 -0.392 0.000 1.163 152 A CA 1.540 53.472 52.037 -0.174 0.000 0.646 152 A CB -0.381 18.597 19.000 -0.036 0.000 0.806 152 A HN 0.281 nan 8.150 nan 0.000 0.448 153 D N -1.161 119.156 120.400 -0.138 0.000 2.378 153 D HA -0.018 4.622 4.640 -0.000 0.000 0.222 153 D C 0.933 177.030 176.300 -0.338 0.000 0.980 153 D CA 0.626 54.498 54.000 -0.214 0.000 0.907 153 D CB -0.305 40.413 40.800 -0.136 0.000 0.899 153 D HN 0.536 nan 8.370 nan 0.000 0.527 154 F N -0.409 119.449 119.950 -0.153 0.000 2.558 154 F HA 0.053 4.580 4.527 -0.001 0.000 0.298 154 F C 0.969 176.799 175.800 0.049 0.000 1.119 154 F CA 0.325 58.312 58.000 -0.022 0.000 1.451 154 F CB 0.012 39.038 39.000 0.043 0.000 1.091 154 F HN 0.055 nan 8.300 nan 0.000 0.563 155 H N -3.116 116.058 119.070 0.173 0.000 2.907 155 H HA 0.507 5.062 4.556 -0.000 0.000 0.361 155 H C -0.645 174.698 175.328 0.024 0.000 1.194 155 H CA -1.530 54.589 56.048 0.118 0.000 1.152 155 H CB 0.211 30.041 29.762 0.113 0.000 1.867 155 H HN -0.099 nan 8.280 nan 0.000 0.561 156 E N 0.638 120.921 120.200 0.138 0.000 2.415 156 E HA 0.227 4.577 4.350 -0.000 0.000 0.262 156 E C -0.340 176.345 176.600 0.143 0.000 1.038 156 E CA 0.024 56.418 56.400 -0.010 0.000 0.921 156 E CB 0.693 30.310 29.700 -0.138 0.000 0.950 156 E HN 0.720 nan 8.360 nan 0.000 0.438 157 K N 0.550 120.969 120.400 0.033 0.000 2.597 157 K HA 0.222 4.542 4.320 -0.000 0.000 0.278 157 K C -0.712 175.893 176.600 0.008 0.000 0.984 157 K CA -0.838 55.486 56.287 0.061 0.000 0.775 157 K CB 0.369 32.909 32.500 0.067 0.000 1.465 157 K HN 0.111 nan 8.250 nan 0.000 0.351 158 D N 1.101 121.507 120.400 0.009 0.000 2.340 158 D HA 0.009 4.648 4.640 -0.000 0.000 0.220 158 D C -0.036 176.253 176.300 -0.020 0.000 1.039 158 D CA 0.794 54.791 54.000 -0.006 0.000 0.866 158 D CB 0.350 41.149 40.800 -0.001 0.000 0.913 158 D HN 0.605 nan 8.370 nan 0.000 0.523 159 T N -1.538 112.999 114.554 -0.028 0.000 2.924 159 T HA 0.509 4.858 4.350 -0.000 0.000 0.291 159 T C -2.737 171.933 174.700 -0.050 0.000 1.045 159 T CA -1.826 60.249 62.100 -0.041 0.000 1.015 159 T CB 2.935 71.773 68.868 -0.050 0.000 1.103 159 T HN -0.270 nan 8.240 nan 0.000 0.496 160 P HA 0.256 nan 4.420 nan 0.000 0.293 160 P C -0.279 176.983 177.300 -0.063 0.000 1.298 160 P CA -0.537 62.531 63.100 -0.053 0.000 0.757 160 P CB 0.373 32.044 31.700 -0.047 0.000 1.262 161 V N 1.565 121.444 119.914 -0.059 0.000 2.425 161 V HA -0.051 4.069 4.120 -0.000 0.000 0.276 161 V C 1.986 178.045 176.094 -0.059 0.000 1.017 161 V CA 0.491 62.757 62.300 -0.057 0.000 1.062 161 V CB -0.648 31.137 31.823 -0.063 0.000 0.997 161 V HN 0.388 nan 8.190 nan 0.000 0.476 162 L N 4.389 125.581 121.223 -0.053 0.000 2.217 162 L HA -0.031 4.308 4.340 -0.000 0.000 0.211 162 L C 1.804 178.522 176.870 -0.252 0.000 1.107 162 L CA 1.100 55.839 54.840 -0.169 0.000 0.783 162 L CB -0.127 41.790 42.059 -0.238 0.000 0.919 162 L HN 0.676 nan 8.230 nan 0.000 0.442 163 W N -0.247 120.917 121.300 -0.226 0.000 3.204 163 W HA 0.033 4.693 4.660 -0.000 0.000 0.249 163 W C 1.475 177.801 176.519 -0.322 0.000 1.322 163 W CA 0.296 57.465 57.345 -0.292 0.000 1.593 163 W CB 0.261 29.585 29.460 -0.227 0.000 1.122 163 W HN 0.052 nan 8.180 nan 0.000 0.710 164 V N -0.561 119.284 119.914 -0.114 0.000 2.743 164 V HA -0.160 3.960 4.120 -0.000 0.000 0.237 164 V C 2.401 178.384 176.094 -0.186 0.000 1.113 164 V CA 2.188 64.393 62.300 -0.158 0.000 1.141 164 V CB -0.583 31.178 31.823 -0.103 0.000 0.873 164 V HN 0.034 nan 8.190 nan 0.000 0.486 165 T N -0.996 113.461 114.554 -0.163 0.000 2.995 165 T HA -0.139 4.210 4.350 -0.000 0.000 0.269 165 T C 1.572 176.160 174.700 -0.188 0.000 1.091 165 T CA 1.697 63.709 62.100 -0.146 0.000 1.128 165 T CB -0.513 68.285 68.868 -0.116 0.000 0.891 165 T HN 0.575 nan 8.240 nan 0.000 0.492 166 T N -0.352 114.039 114.554 -0.271 0.000 3.086 166 T HA 0.249 4.599 4.350 -0.000 0.000 0.250 166 T C 1.591 176.091 174.700 -0.334 0.000 1.074 166 T CA 0.300 62.220 62.100 -0.299 0.000 0.988 166 T CB 0.021 68.667 68.868 -0.371 0.000 0.988 166 T HN 0.469 nan 8.240 nan 0.000 0.530 167 V N -1.823 117.867 119.914 -0.374 0.000 3.605 167 V HA 0.550 4.669 4.120 -0.000 0.000 0.284 167 V C 0.226 176.200 176.094 -0.200 0.000 1.386 167 V CA -0.480 61.571 62.300 -0.414 0.000 1.053 167 V CB -0.397 30.872 31.823 -0.923 0.000 0.857 167 V HN 0.350 nan 8.190 nan 0.000 0.436 168 L N 0.970 122.100 121.223 -0.155 0.000 2.330 168 L HA 0.648 4.988 4.340 -0.000 0.000 0.271 168 L C -2.486 174.344 176.870 -0.068 0.000 1.013 168 L CA -2.103 52.688 54.840 -0.082 0.000 0.816 168 L CB 1.773 43.789 42.059 -0.071 0.000 1.287 168 L HN -0.047 nan 8.230 nan 0.000 0.435 169 P HA 0.118 nan 4.420 nan 0.000 0.269 169 P C -2.141 175.137 177.300 -0.037 0.000 1.215 169 P CA -0.999 62.080 63.100 -0.035 0.000 0.780 169 P CB 0.226 31.915 31.700 -0.017 0.000 0.898 170 P HA -0.242 nan 4.420 nan 0.000 0.216 170 P C 1.461 178.747 177.300 -0.023 0.000 1.150 170 P CA 1.925 65.004 63.100 -0.035 0.000 0.843 170 P CB -0.272 31.408 31.700 -0.033 0.000 0.787 171 S N -0.760 114.931 115.700 -0.015 0.000 2.382 171 S HA -0.173 4.297 4.470 -0.000 0.000 0.228 171 S C 2.120 176.720 174.600 0.000 0.000 1.027 171 S CA 1.057 59.253 58.200 -0.006 0.000 0.991 171 S CB -0.799 62.400 63.200 -0.002 0.000 0.823 171 S HN -0.025 nan 8.310 nan 0.000 0.469 172 R N 1.805 122.304 120.500 -0.002 0.000 2.062 172 R HA 0.128 4.468 4.340 -0.000 0.000 0.229 172 R C 2.075 178.377 176.300 0.003 0.000 1.128 172 R CA 1.645 57.749 56.100 0.006 0.000 0.960 172 R CB -1.495 28.805 30.300 0.001 0.000 0.855 172 R HN 0.329 nan 8.270 nan 0.000 0.432 173 V N 1.564 121.469 119.914 -0.015 0.000 2.392 173 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 173 V C 2.455 178.545 176.094 -0.007 0.000 1.059 173 V CA 2.248 64.536 62.300 -0.019 0.000 1.051 173 V CB -0.576 31.223 31.823 -0.041 0.000 0.658 173 V HN 0.414 nan 8.190 nan 0.000 0.455 174 K N -0.126 120.269 120.400 -0.008 0.000 2.057 174 K HA -0.149 4.170 4.320 -0.000 0.000 0.207 174 K C 2.112 178.715 176.600 0.005 0.000 1.049 174 K CA 1.530 57.812 56.287 -0.008 0.000 0.931 174 K CB -0.187 32.306 32.500 -0.012 0.000 0.714 174 K HN 0.322 nan 8.250 nan 0.000 0.440 175 V N 1.842 121.774 119.914 0.029 0.000 2.287 175 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 175 V C 2.316 178.492 176.094 0.136 0.000 1.053 175 V CA 1.717 64.064 62.300 0.080 0.000 1.027 175 V CB -0.342 31.535 31.823 0.090 0.000 0.646 175 V HN 0.331 nan 8.190 nan 0.000 0.447 176 L N -0.570 120.708 121.223 0.092 0.000 2.056 176 L HA -0.130 4.209 4.340 -0.000 0.000 0.207 176 L C 2.616 179.536 176.870 0.084 0.000 1.078 176 L CA 1.626 56.527 54.840 0.102 0.000 0.749 176 L CB -0.630 41.460 42.059 0.052 0.000 0.901 176 L HN 0.275 nan 8.230 nan 0.000 0.433 177 S N -0.021 115.699 115.700 0.033 0.000 2.382 177 S HA -0.149 4.320 4.470 -0.000 0.000 0.228 177 S C 2.165 176.756 174.600 -0.015 0.000 1.027 177 S CA 1.132 59.338 58.200 0.009 0.000 0.991 177 S CB -0.266 62.928 63.200 -0.010 0.000 0.823 177 S HN 0.487 nan 8.310 nan 0.000 0.469 178 A N 0.992 123.778 122.820 -0.056 0.000 2.019 178 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 178 A C 1.526 178.946 177.584 -0.272 0.000 1.164 178 A CA 1.196 53.128 52.037 -0.176 0.000 0.644 178 A CB -0.542 18.307 19.000 -0.251 0.000 0.805 178 A HN 0.574 nan 8.150 nan 0.000 0.449 179 H N -1.394 117.681 119.070 0.009 0.000 2.529 179 H HA 0.265 4.820 4.556 -0.001 0.000 0.277 179 H C 1.481 176.819 175.328 0.016 0.000 1.004 179 H CA 0.457 56.513 56.048 0.013 0.000 1.167 179 H CB 0.031 29.803 29.762 0.017 0.000 1.445 179 H HN 0.603 nan 8.280 nan 0.000 0.554 180 G N 1.585 110.435 108.800 0.084 0.000 2.176 180 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.252 180 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.252 180 G C 0.877 175.821 174.900 0.073 0.000 1.024 180 G CA 0.366 45.503 45.100 0.062 0.000 0.755 180 G HN 0.433 nan 8.290 nan 0.000 0.507 181 L N -0.209 121.065 121.223 0.083 0.000 2.607 181 L HA 0.303 4.642 4.340 -0.000 0.000 0.228 181 L C 1.051 177.952 176.870 0.052 0.000 1.123 181 L CA -0.388 54.496 54.840 0.073 0.000 0.890 181 L CB -0.010 42.098 42.059 0.082 0.000 1.103 181 L HN 0.180 nan 8.230 nan 0.000 0.468 182 I N 2.086 122.678 120.570 0.037 0.000 2.471 182 I HA 0.153 4.323 4.170 -0.000 0.000 0.286 182 I C -1.944 174.188 176.117 0.024 0.000 1.079 182 I CA -2.163 59.146 61.300 0.016 0.000 1.398 182 I CB 0.250 38.249 38.000 -0.002 0.000 1.403 182 I HN -0.212 nan 8.210 nan 0.000 0.530 183 P HA 0.118 nan 4.420 nan 0.000 0.271 183 P C 0.238 177.553 177.300 0.024 0.000 1.216 183 P CA -0.158 62.966 63.100 0.040 0.000 0.776 183 P CB 0.853 32.566 31.700 0.022 0.000 0.881 184 A N 2.577 125.431 122.820 0.058 0.000 2.030 184 A HA 0.438 4.757 4.320 -0.000 0.000 0.215 184 A C 1.001 178.558 177.584 -0.044 0.000 1.164 184 A CA 1.386 53.410 52.037 -0.022 0.000 0.697 184 A CB -0.580 18.355 19.000 -0.109 0.000 0.827 184 A HN 0.648 nan 8.150 nan 0.000 0.457 185 G N -1.781 107.045 108.800 0.044 0.000 2.702 185 G HA2 0.443 4.403 3.960 -0.000 0.000 0.296 185 G HA3 0.443 4.403 3.960 -0.000 0.000 0.296 185 G C 0.239 175.181 174.900 0.070 0.000 1.463 185 G CA -0.525 44.592 45.100 0.028 0.000 0.890 185 G HN -0.026 nan 8.290 nan 0.000 0.534 186 I N 0.368 120.906 120.570 -0.055 0.000 2.163 186 I HA -0.089 4.080 4.170 -0.000 0.000 0.240 186 I C 1.989 178.174 176.117 0.113 0.000 1.081 186 I CA 1.099 62.367 61.300 -0.053 0.000 1.353 186 I CB 0.094 37.887 38.000 -0.345 0.000 1.054 186 I HN 0.388 nan 8.210 nan 0.000 0.407 187 D N -0.719 119.820 120.400 0.232 0.000 2.224 187 D HA -0.180 4.460 4.640 -0.000 0.000 0.205 187 D C 1.913 178.322 176.300 0.181 0.000 0.965 187 D CA 1.004 55.142 54.000 0.231 0.000 0.852 187 D CB -0.334 40.634 40.800 0.279 0.000 0.947 187 D HN 0.409 nan 8.370 nan 0.000 0.494 188 H N 1.327 120.467 119.070 0.118 0.000 2.319 188 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 188 H C 1.690 177.066 175.328 0.079 0.000 1.092 188 H CA 1.758 57.863 56.048 0.096 0.000 1.302 188 H CB 0.324 30.141 29.762 0.091 0.000 1.373 188 H HN -0.074 nan 8.280 nan 0.000 0.497 189 E N 0.357 120.590 120.200 0.056 0.000 2.072 189 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 189 E C 2.614 179.203 176.600 -0.019 0.000 0.985 189 E CA 1.036 57.432 56.400 -0.008 0.000 0.801 189 E CB -0.209 29.535 29.700 0.074 0.000 0.750 189 E HN 0.601 nan 8.360 nan 0.000 0.452 190 I N 1.285 121.872 120.570 0.027 0.000 2.163 190 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 190 I C 2.485 178.603 176.117 0.003 0.000 1.085 190 I CA 1.345 62.663 61.300 0.031 0.000 1.347 190 I CB -0.348 37.689 38.000 0.060 0.000 1.044 190 I HN 0.009 nan 8.210 nan 0.000 0.408 191 A N -0.045 122.767 122.820 -0.014 0.000 1.898 191 A HA -0.254 4.065 4.320 -0.000 0.000 0.216 191 A C 2.316 179.885 177.584 -0.026 0.000 1.181 191 A CA 1.813 53.837 52.037 -0.020 0.000 0.620 191 A CB -0.622 18.366 19.000 -0.019 0.000 0.819 191 A HN 0.491 nan 8.150 nan 0.000 0.442 192 E N -0.364 119.770 120.200 -0.110 0.000 2.153 192 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 192 E C 1.772 178.360 176.600 -0.019 0.000 0.988 192 E CA 0.954 57.311 56.400 -0.071 0.000 0.811 192 E CB -0.096 29.485 29.700 -0.198 0.000 0.746 192 E HN 0.513 nan 8.360 nan 0.000 0.466 193 I N 0.889 121.449 120.570 -0.017 0.000 2.179 193 I HA -0.268 3.901 4.170 -0.000 0.000 0.242 193 I C 2.321 178.448 176.117 0.017 0.000 1.088 193 I CA 1.127 62.429 61.300 0.004 0.000 1.357 193 I CB -0.844 37.166 38.000 0.016 0.000 1.051 193 I HN 0.316 nan 8.210 nan 0.000 0.409 194 M N -0.721 118.890 119.600 0.018 0.000 2.159 194 M HA -0.203 4.276 4.480 -0.000 0.000 0.263 194 M C 2.305 178.645 176.300 0.066 0.000 1.063 194 M CA 1.499 56.804 55.300 0.009 0.000 1.110 194 M CB -1.741 30.854 32.600 -0.009 0.000 1.374 194 M HN 0.392 nan 8.290 nan 0.000 0.411 195 H N 0.978 120.026 119.070 -0.037 0.000 2.270 195 H HA -0.156 4.400 4.556 -0.001 0.000 0.299 195 H C 2.288 177.612 175.328 -0.007 0.000 1.077 195 H CA 1.869 57.903 56.048 -0.025 0.000 1.294 195 H CB 0.079 29.823 29.762 -0.031 0.000 1.371 195 H HN 0.375 nan 8.280 nan 0.000 0.491 196 R N 0.759 121.208 120.500 -0.086 0.000 2.189 196 R HA -0.063 4.276 4.340 -0.000 0.000 0.223 196 R C 1.749 178.029 176.300 -0.033 0.000 1.092 196 R CA 1.677 57.672 56.100 -0.175 0.000 0.989 196 R CB -0.527 29.683 30.300 -0.149 0.000 0.876 196 R HN 0.373 nan 8.270 nan 0.000 0.457 197 T N -1.373 113.200 114.554 0.031 0.000 3.107 197 T HA 0.073 4.423 4.350 -0.000 0.000 0.249 197 T C 0.945 175.755 174.700 0.184 0.000 1.096 197 T CA 0.002 62.166 62.100 0.105 0.000 1.012 197 T CB 0.051 68.997 68.868 0.130 0.000 0.977 197 T HN 0.335 nan 8.240 nan 0.000 0.527 198 S N 1.771 117.538 115.700 0.112 0.000 2.624 198 S HA 0.463 4.933 4.470 -0.000 0.000 0.263 198 S C 0.501 175.176 174.600 0.125 0.000 1.287 198 S CA -0.999 57.269 58.200 0.114 0.000 0.990 198 S CB 0.285 63.534 63.200 0.082 0.000 0.950 198 S HN 0.352 nan 8.310 nan 0.000 0.561 199 M N 1.486 121.153 119.600 0.112 0.000 2.251 199 M HA 0.260 4.740 4.480 -0.000 0.000 0.343 199 M C 1.214 177.549 176.300 0.058 0.000 1.245 199 M CA 1.936 57.284 55.300 0.080 0.000 1.061 199 M CB -0.699 31.940 32.600 0.064 0.000 1.723 199 M HN 1.535 nan 8.290 nan 0.000 0.449 200 G N 3.707 112.529 108.800 0.038 0.000 2.147 200 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 200 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 200 G C 0.242 175.157 174.900 0.026 0.000 1.005 200 G CA 0.166 45.282 45.100 0.027 0.000 0.713 200 G HN 0.814 nan 8.290 nan 0.000 0.515 201 C N -1.022 118.290 119.300 0.020 0.000 2.619 201 C HA 0.647 5.106 4.460 -0.000 0.000 0.073 201 C C 1.006 175.980 174.990 -0.026 0.000 2.364 201 C CA 0.146 59.157 59.018 -0.012 0.000 1.846 201 C CB 0.214 27.935 27.740 -0.032 0.000 2.824 201 C HN 0.563 nan 8.230 nan 0.000 0.336 202 D N 0.342 120.714 120.400 -0.047 0.000 2.424 202 D HA 0.457 5.096 4.640 -0.000 0.000 0.244 202 D C -0.197 176.094 176.300 -0.016 0.000 1.134 202 D CA 0.453 54.432 54.000 -0.036 0.000 0.881 202 D CB 0.711 41.483 40.800 -0.045 0.000 1.191 202 D HN 0.612 nan 8.370 nan 0.000 0.445 203 A N 3.363 126.175 122.820 -0.013 0.000 3.106 203 A HA 0.261 4.581 4.320 -0.000 0.000 0.227 203 A C -0.589 176.989 177.584 -0.009 0.000 0.920 203 A CA -0.634 51.396 52.037 -0.011 0.000 1.088 203 A CB 0.063 19.056 19.000 -0.011 0.000 1.233 203 A HN 0.485 nan 8.150 nan 0.000 0.503 204 D N -0.304 120.092 120.400 -0.007 0.000 2.788 204 D HA 0.636 5.276 4.640 -0.000 0.000 0.247 204 D C 1.009 177.308 176.300 -0.001 0.000 1.236 204 D CA 0.309 54.308 54.000 -0.003 0.000 0.898 204 D CB 1.798 42.597 40.800 -0.000 0.000 1.401 204 D HN 0.134 nan 8.370 nan 0.000 0.549 205 A N 3.318 126.137 122.820 -0.001 0.000 1.902 205 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 205 A C 1.897 179.486 177.584 0.009 0.000 1.181 205 A CA 1.837 53.874 52.037 0.001 0.000 0.623 205 A CB -0.600 18.399 19.000 -0.002 0.000 0.818 205 A HN 0.639 nan 8.150 nan 0.000 0.443 206 Q N 0.214 120.020 119.800 0.010 0.000 2.079 206 Q HA -0.182 4.157 4.340 -0.000 0.000 0.200 206 Q C 1.873 177.884 176.000 0.019 0.000 0.974 206 Q CA 2.183 57.996 55.803 0.016 0.000 0.840 206 Q CB -0.451 28.297 28.738 0.017 0.000 0.898 206 Q HN 0.650 nan 8.270 nan 0.000 0.430 207 N N -0.625 118.084 118.700 0.015 0.000 2.084 207 N HA -0.103 4.636 4.740 -0.000 0.000 0.190 207 N C 1.505 177.024 175.510 0.015 0.000 1.030 207 N CA 1.380 54.439 53.050 0.016 0.000 0.849 207 N CB -0.211 38.281 38.487 0.008 0.000 1.012 207 N HN 0.337 nan 8.380 nan 0.000 0.423 208 L N -0.026 121.203 121.223 0.010 0.000 2.046 208 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 208 L C 2.112 178.996 176.870 0.024 0.000 1.077 208 L CA 0.910 55.758 54.840 0.013 0.000 0.747 208 L CB -0.328 41.736 42.059 0.010 0.000 0.896 208 L HN 0.254 nan 8.230 nan 0.000 0.432 209 L N -1.054 120.186 121.223 0.027 0.000 2.156 209 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 209 L C 2.400 179.297 176.870 0.044 0.000 1.095 209 L CA 0.698 55.562 54.840 0.040 0.000 0.770 209 L CB -0.316 41.767 42.059 0.041 0.000 0.914 209 L HN 0.261 nan 8.230 nan 0.000 0.439 210 L N -0.357 120.887 121.223 0.036 0.000 2.046 210 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 210 L C 2.678 179.576 176.870 0.047 0.000 1.077 210 L CA 1.417 56.281 54.840 0.039 0.000 0.747 210 L CB -1.101 40.983 42.059 0.042 0.000 0.896 210 L HN 0.313 nan 8.230 nan 0.000 0.432 211 G N -0.352 108.472 108.800 0.040 0.000 2.440 211 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.218 211 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.218 211 G C 1.586 176.516 174.900 0.051 0.000 1.154 211 G CA 0.763 45.886 45.100 0.039 0.000 0.767 211 G HN 0.492 nan 8.290 nan 0.000 0.552 212 G N 0.925 109.758 108.800 0.055 0.000 2.418 212 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 212 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 212 G C 1.803 176.759 174.900 0.093 0.000 1.158 212 G CA 0.783 45.927 45.100 0.073 0.000 0.771 212 G HN 0.427 nan 8.290 nan 0.000 0.545 213 L N -0.176 121.098 121.223 0.086 0.000 2.046 213 L HA -0.069 4.270 4.340 -0.000 0.000 0.208 213 L C 2.913 179.840 176.870 0.095 0.000 1.077 213 L CA 1.516 56.412 54.840 0.093 0.000 0.747 213 L CB -0.454 41.645 42.059 0.065 0.000 0.896 213 L HN 0.219 nan 8.230 nan 0.000 0.432 214 R N -0.319 120.228 120.500 0.078 0.000 2.081 214 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 214 R C 2.520 178.869 176.300 0.081 0.000 1.131 214 R CA 1.915 58.059 56.100 0.074 0.000 0.960 214 R CB -0.572 29.768 30.300 0.067 0.000 0.856 214 R HN 0.407 nan 8.270 nan 0.000 0.436 215 C N 0.879 120.230 119.300 0.085 0.000 2.432 215 C HA -0.027 4.433 4.460 -0.000 0.000 0.280 215 C C 2.995 178.062 174.990 0.129 0.000 1.353 215 C CA 1.277 60.349 59.018 0.091 0.000 1.766 215 C CB -0.968 26.820 27.740 0.079 0.000 1.924 215 C HN 0.779 nan 8.230 nan 0.000 0.509 216 S N 0.227 116.024 115.700 0.161 0.000 2.402 216 S HA -0.064 4.406 4.470 -0.000 0.000 0.229 216 S C 1.725 176.481 174.600 0.261 0.000 1.021 216 S CA 1.429 59.787 58.200 0.263 0.000 0.974 216 S CB -0.691 62.677 63.200 0.279 0.000 0.800 216 S HN 0.687 nan 8.310 nan 0.000 0.484 217 L N 0.966 122.272 121.223 0.138 0.000 2.217 217 L HA 0.101 4.441 4.340 -0.000 0.000 0.211 217 L C 3.106 179.963 176.870 -0.021 0.000 1.107 217 L CA 0.826 55.680 54.840 0.024 0.000 0.783 217 L CB -0.723 41.346 42.059 0.016 0.000 0.919 217 L HN 0.476 nan 8.230 nan 0.000 0.442 218 A N 0.159 122.996 122.820 0.028 0.000 1.933 218 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 218 A C 1.948 179.541 177.584 0.016 0.000 1.175 218 A CA 2.083 54.120 52.037 0.001 0.000 0.628 218 A CB -0.555 18.463 19.000 0.030 0.000 0.814 218 A HN 0.455 nan 8.150 nan 0.000 0.444 219 D N -0.726 119.743 120.400 0.114 0.000 2.117 219 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 219 D C 1.795 178.121 176.300 0.044 0.000 0.987 219 D CA 1.288 55.413 54.000 0.210 0.000 0.829 219 D CB -0.142 40.914 40.800 0.428 0.000 0.961 219 D HN 0.246 nan 8.370 nan 0.000 0.460 220 L N 0.601 121.657 121.223 -0.279 0.000 2.042 220 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 220 L C 2.136 178.807 176.870 -0.332 0.000 1.076 220 L CA 2.225 56.572 54.840 -0.822 0.000 0.749 220 L CB -1.091 40.257 42.059 -1.185 0.000 0.893 220 L HN 0.113 nan 8.230 nan 0.000 0.432 221 A N -0.479 122.228 122.820 -0.188 0.000 1.902 221 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 221 A C 2.361 179.874 177.584 -0.119 0.000 1.181 221 A CA 1.645 53.632 52.037 -0.083 0.000 0.623 221 A CB -1.628 17.317 19.000 -0.091 0.000 0.818 221 A HN 0.547 nan 8.150 nan 0.000 0.443 222 G N -1.033 107.694 108.800 -0.121 0.000 2.418 222 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 222 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 222 G C 1.582 176.443 174.900 -0.065 0.000 1.158 222 G CA 1.292 46.346 45.100 -0.076 0.000 0.771 222 G HN 0.525 nan 8.290 nan 0.000 0.545 223 C N -0.945 118.291 119.300 -0.106 0.000 2.432 223 C HA -0.018 4.442 4.460 -0.000 0.000 0.277 223 C C 2.377 177.326 174.990 -0.068 0.000 1.249 223 C CA 0.700 59.618 59.018 -0.168 0.000 1.725 223 C CB -1.043 26.579 27.740 -0.197 0.000 2.028 223 C HN 0.522 nan 8.230 nan 0.000 0.477 224 Y N 0.769 120.988 120.300 -0.135 0.000 2.242 224 Y HA -0.152 4.397 4.550 -0.001 0.000 0.291 224 Y C 2.569 178.470 175.900 0.002 0.000 1.137 224 Y CA 1.641 59.740 58.100 -0.001 0.000 1.181 224 Y CB -0.557 37.949 38.460 0.078 0.000 0.989 224 Y HN 0.290 nan 8.280 nan 0.000 0.527 225 M N -0.977 118.563 119.600 -0.100 0.000 2.117 225 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 225 M C 2.223 178.423 176.300 -0.167 0.000 1.065 225 M CA 2.128 57.065 55.300 -0.605 0.000 1.114 225 M CB -0.604 31.384 32.600 -1.021 0.000 1.361 225 M HN 0.334 nan 8.290 nan 0.000 0.408 226 G N -0.738 108.037 108.800 -0.042 0.000 2.418 226 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 226 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 226 G C 1.305 176.274 174.900 0.115 0.000 1.158 226 G CA 1.385 46.551 45.100 0.111 0.000 0.771 226 G HN 0.467 nan 8.290 nan 0.000 0.545 227 T N 0.921 115.503 114.554 0.047 0.000 2.746 227 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 227 T C 2.024 176.776 174.700 0.086 0.000 1.039 227 T CA 1.431 63.557 62.100 0.044 0.000 1.142 227 T CB -0.279 68.545 68.868 -0.074 0.000 0.866 227 T HN 0.132 nan 8.240 nan 0.000 0.444 228 D N 1.065 121.552 120.400 0.145 0.000 2.092 228 D HA -0.033 4.606 4.640 -0.000 0.000 0.193 228 D C 2.139 178.530 176.300 0.151 0.000 0.994 228 D CA 0.909 55.041 54.000 0.220 0.000 0.828 228 D CB -0.361 40.717 40.800 0.464 0.000 0.963 228 D HN 0.307 nan 8.370 nan 0.000 0.450 229 L N 0.363 121.651 121.223 0.109 0.000 2.056 229 L HA -0.084 4.255 4.340 -0.000 0.000 0.207 229 L C 2.523 179.416 176.870 0.038 0.000 1.078 229 L CA 1.043 55.917 54.840 0.056 0.000 0.749 229 L CB -0.397 41.671 42.059 0.015 0.000 0.901 229 L HN -0.039 nan 8.230 nan 0.000 0.433 230 A N -0.208 122.687 122.820 0.124 0.000 1.972 230 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 230 A C 1.892 179.575 177.584 0.165 0.000 1.169 230 A CA 1.852 54.027 52.037 0.230 0.000 0.635 230 A CB -0.434 18.762 19.000 0.327 0.000 0.810 230 A HN 0.330 nan 8.150 nan 0.000 0.446 231 D N 0.068 120.534 120.400 0.110 0.000 2.117 231 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 231 D C 1.845 178.165 176.300 0.034 0.000 0.982 231 D CA 1.002 55.050 54.000 0.079 0.000 0.828 231 D CB -0.331 40.509 40.800 0.067 0.000 0.967 231 D HN 0.513 nan 8.370 nan 0.000 0.464 232 I N 0.414 120.994 120.570 0.016 0.000 2.163 232 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 232 I C 2.344 178.396 176.117 -0.107 0.000 1.085 232 I CA 0.937 62.228 61.300 -0.014 0.000 1.347 232 I CB -0.152 37.851 38.000 0.004 0.000 1.044 232 I HN -0.013 nan 8.210 nan 0.000 0.408 233 L N -1.046 120.010 121.223 -0.279 0.000 2.156 233 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 233 L C 1.559 178.040 176.870 -0.648 0.000 1.095 233 L CA 1.173 55.646 54.840 -0.612 0.000 0.770 233 L CB -0.111 41.227 42.059 -1.202 0.000 0.914 233 L HN 0.179 nan 8.230 nan 0.000 0.439 234 F N -0.959 119.047 119.950 0.094 0.000 2.767 234 F HA 0.469 4.995 4.527 -0.001 0.000 0.323 234 F C 0.967 176.797 175.800 0.051 0.000 1.091 234 F CA -0.135 57.924 58.000 0.098 0.000 1.192 234 F CB 0.320 39.382 39.000 0.104 0.000 1.056 234 F HN -0.051 nan 8.300 nan 0.000 0.571 235 G N 0.752 109.630 108.800 0.129 0.000 2.784 235 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.686 235 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.686 235 G C -0.467 174.455 174.900 0.037 0.000 1.156 235 G CA -1.077 44.062 45.100 0.065 0.000 0.757 235 G HN -0.027 nan 8.290 nan 0.000 0.642 236 T N 4.477 119.042 114.554 0.017 0.000 2.870 236 T HA 0.481 4.831 4.350 -0.000 0.000 0.300 236 T C -1.649 173.029 174.700 -0.036 0.000 0.989 236 T CA -0.111 61.990 62.100 0.001 0.000 1.139 236 T CB 1.005 69.878 68.868 0.007 0.000 0.920 236 T HN 0.498 nan 8.240 nan 0.000 0.537 237 P HA 0.382 nan 4.420 nan 0.000 0.267 237 P C -1.009 176.223 177.300 -0.114 0.000 1.200 237 P CA -0.209 62.823 63.100 -0.112 0.000 0.772 237 P CB 0.499 32.120 31.700 -0.131 0.000 0.855 238 A N 3.779 126.509 122.820 -0.150 0.000 2.485 238 A HA 0.745 5.065 4.320 -0.000 0.000 0.292 238 A C -2.746 174.678 177.584 -0.267 0.000 1.147 238 A CA -2.039 49.897 52.037 -0.169 0.000 0.750 238 A CB 0.407 19.342 19.000 -0.107 0.000 1.331 238 A HN 0.300 nan 8.150 nan 0.000 0.419 239 P HA 0.305 nan 4.420 nan 0.000 0.265 239 P C -0.619 176.525 177.300 -0.262 0.000 1.193 239 P CA 0.288 63.104 63.100 -0.475 0.000 0.765 239 P CB 0.601 32.050 31.700 -0.418 0.000 0.823 240 V N 1.107 120.877 119.914 -0.240 0.000 3.078 240 V HA 0.717 4.836 4.120 -0.000 0.000 0.311 240 V C -0.755 175.293 176.094 -0.077 0.000 1.138 240 V CA -1.019 61.205 62.300 -0.128 0.000 1.007 240 V CB 2.329 34.079 31.823 -0.123 0.000 1.045 240 V HN 0.137 nan 8.190 nan 0.000 0.432 241 V N 1.507 121.400 119.914 -0.036 0.000 2.540 241 V HA 0.881 5.001 4.120 -0.000 0.000 0.302 241 V C 0.135 176.230 176.094 0.002 0.000 1.035 241 V CA 0.450 62.748 62.300 -0.003 0.000 0.873 241 V CB 1.329 33.157 31.823 0.007 0.000 0.992 241 V HN 1.346 nan 8.190 nan 0.000 0.428 242 T N 3.085 117.649 114.554 0.016 0.000 2.606 242 T HA 0.566 4.916 4.350 -0.000 0.000 0.289 242 T C -1.598 173.118 174.700 0.027 0.000 1.113 242 T CA -0.338 61.772 62.100 0.017 0.000 1.106 242 T CB 1.935 70.810 68.868 0.012 0.000 1.611 242 T HN 0.744 nan 8.240 nan 0.000 0.471 243 E N -0.051 120.165 120.200 0.027 0.000 2.433 243 E HA 0.648 4.998 4.350 -0.000 0.000 0.273 243 E C -1.495 175.126 176.600 0.035 0.000 0.950 243 E CA -0.943 55.474 56.400 0.028 0.000 0.796 243 E CB 2.241 31.949 29.700 0.014 0.000 1.330 243 E HN 0.728 nan 8.360 nan 0.000 0.455 244 S N 1.023 116.744 115.700 0.035 0.000 2.618 244 S HA 0.692 5.162 4.470 -0.000 0.000 0.277 244 S C -0.432 174.178 174.600 0.017 0.000 1.138 244 S CA -0.488 57.738 58.200 0.043 0.000 0.844 244 S CB 1.908 65.164 63.200 0.093 0.000 1.127 244 S HN 0.871 nan 8.310 nan 0.000 0.474 245 N N -0.905 117.801 118.700 0.010 0.000 6.490 245 N HA -0.156 4.583 4.740 -0.000 0.000 0.412 245 N C 0.148 175.646 175.510 -0.020 0.000 1.101 245 N CA 0.208 53.253 53.050 -0.009 0.000 1.820 245 N CB -0.950 37.524 38.487 -0.022 0.000 0.745 245 N HN 0.674 nan 8.380 nan 0.000 0.448 246 L N 0.373 121.585 121.223 -0.019 0.000 2.265 246 L HA -0.019 4.320 4.340 -0.000 0.000 0.215 246 L C 2.343 179.205 176.870 -0.013 0.000 1.117 246 L CA 1.535 56.364 54.840 -0.019 0.000 0.782 246 L CB -0.643 41.410 42.059 -0.010 0.000 0.914 246 L HN 0.752 nan 8.230 nan 0.000 0.441 247 G N 0.025 108.819 108.800 -0.011 0.000 2.708 247 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.210 247 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.210 247 G C 1.525 176.421 174.900 -0.007 0.000 1.141 247 G CA 0.773 45.868 45.100 -0.007 0.000 0.788 247 G HN 0.393 nan 8.290 nan 0.000 0.531 248 V N -1.602 118.305 119.914 -0.011 0.000 3.217 248 V HA 0.315 4.435 4.120 -0.000 0.000 0.264 248 V C 1.220 177.307 176.094 -0.012 0.000 1.135 248 V CA -0.006 62.287 62.300 -0.011 0.000 1.142 248 V CB -0.584 31.230 31.823 -0.015 0.000 0.754 248 V HN 0.160 nan 8.190 nan 0.000 0.484 249 L N 1.347 122.564 121.223 -0.010 0.000 2.439 249 L HA 0.357 4.697 4.340 -0.000 0.000 0.269 249 L C 0.342 177.216 176.870 0.006 0.000 1.179 249 L CA 0.349 55.188 54.840 -0.003 0.000 0.828 249 L CB 0.434 42.494 42.059 0.001 0.000 1.106 249 L HN 0.173 nan 8.230 nan 0.000 0.467 250 K N 1.386 121.795 120.400 0.015 0.000 2.502 250 K HA 0.384 4.704 4.320 -0.000 0.000 0.254 250 K C 0.372 177.005 176.600 0.055 0.000 0.947 250 K CA -0.459 55.842 56.287 0.024 0.000 0.834 250 K CB 1.912 34.417 32.500 0.008 0.000 1.112 250 K HN 0.662 nan 8.250 nan 0.000 0.427 251 A N 2.385 125.241 122.820 0.060 0.000 1.978 251 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 251 A C 1.188 178.876 177.584 0.173 0.000 1.170 251 A CA 1.977 54.068 52.037 0.090 0.000 0.636 251 A CB -0.330 18.704 19.000 0.057 0.000 0.810 251 A HN 0.831 nan 8.150 nan 0.000 0.448 252 D N -0.899 119.585 120.400 0.140 0.000 2.340 252 D HA 0.453 5.093 4.640 -0.000 0.000 0.217 252 D C 0.440 176.810 176.300 0.116 0.000 1.081 252 D CA 0.567 54.685 54.000 0.197 0.000 0.842 252 D CB -0.264 40.601 40.800 0.108 0.000 0.934 252 D HN 0.390 nan 8.370 nan 0.000 0.511 253 A N 0.006 122.855 122.820 0.049 0.000 2.322 253 A HA 0.600 4.920 4.320 -0.000 0.000 0.327 253 A C -0.328 177.126 177.584 -0.218 0.000 1.134 253 A CA -0.821 51.119 52.037 -0.162 0.000 0.831 253 A CB 1.549 20.491 19.000 -0.096 0.000 1.288 253 A HN 0.018 nan 8.150 nan 0.000 0.472 254 V N 3.041 122.706 119.914 -0.416 0.000 2.415 254 V HA 0.083 4.203 4.120 -0.000 0.000 0.267 254 V C -0.133 175.928 176.094 -0.056 0.000 1.042 254 V CA -0.418 61.762 62.300 -0.199 0.000 1.000 254 V CB -0.276 31.398 31.823 -0.247 0.000 1.015 254 V HN 0.718 nan 8.190 nan 0.000 0.478 255 N N 4.327 123.044 118.700 0.029 0.000 2.419 255 N HA 0.366 5.106 4.740 -0.000 0.000 0.264 255 N C -0.747 174.765 175.510 0.003 0.000 1.031 255 N CA -0.197 52.858 53.050 0.009 0.000 0.951 255 N CB 2.187 40.689 38.487 0.025 0.000 1.101 255 N HN 0.391 nan 8.380 nan 0.000 0.488 256 V N 1.601 121.503 119.914 -0.020 0.000 2.407 256 V HA 0.476 4.596 4.120 -0.000 0.000 0.291 256 V C 0.071 176.144 176.094 -0.035 0.000 1.018 256 V CA -0.967 61.319 62.300 -0.024 0.000 0.842 256 V CB 1.309 33.111 31.823 -0.035 0.000 0.996 256 V HN 0.706 nan 8.190 nan 0.000 0.426 257 A N 4.889 127.691 122.820 -0.030 0.000 2.309 257 A HA 0.777 5.096 4.320 -0.000 0.000 0.298 257 A C -0.092 177.471 177.584 -0.034 0.000 1.165 257 A CA -0.477 51.533 52.037 -0.046 0.000 0.821 257 A CB 1.134 20.100 19.000 -0.056 0.000 1.102 257 A HN 1.274 nan 8.150 nan 0.000 0.500 258 V N 1.253 121.136 119.914 -0.051 0.000 2.465 258 V HA 0.700 4.820 4.120 -0.000 0.000 0.279 258 V C -0.266 175.832 176.094 0.006 0.000 1.045 258 V CA -0.371 61.900 62.300 -0.049 0.000 0.938 258 V CB 0.868 32.637 31.823 -0.090 0.000 0.986 258 V HN 0.986 nan 8.190 nan 0.000 0.467 259 H N 2.267 121.266 119.070 -0.118 0.000 2.961 259 H HA 0.827 5.382 4.556 -0.000 0.000 0.371 259 H C 0.129 175.389 175.328 -0.113 0.000 1.190 259 H CA 0.314 56.299 56.048 -0.105 0.000 1.138 259 H CB 1.849 31.571 29.762 -0.066 0.000 1.816 259 H HN 1.383 nan 8.280 nan 0.000 0.551 260 G N 2.214 111.031 108.800 0.028 0.000 2.460 260 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.207 260 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.207 260 G C -0.367 174.359 174.900 -0.289 0.000 1.170 260 G CA 0.439 45.488 45.100 -0.085 0.000 1.151 260 G HN 0.696 nan 8.290 nan 0.000 0.575 261 H N -0.036 118.990 119.070 -0.073 0.000 2.998 261 H HA 0.320 4.875 4.556 -0.000 0.000 0.223 261 H C 0.778 176.118 175.328 0.020 0.000 0.906 261 H CA 0.321 56.419 56.048 0.084 0.000 1.014 261 H CB 0.538 30.489 29.762 0.316 0.000 1.389 261 H HN 0.354 nan 8.280 nan 0.000 0.467 262 N N 2.457 121.063 118.700 -0.157 0.000 2.419 262 N HA 0.057 4.796 4.740 -0.000 0.000 0.264 262 N C -1.999 173.362 175.510 -0.249 0.000 1.031 262 N CA -1.705 51.175 53.050 -0.283 0.000 0.951 262 N CB 1.777 40.052 38.487 -0.352 0.000 1.101 262 N HN 0.103 nan 8.380 nan 0.000 0.488 263 P HA -0.069 nan 4.420 nan 0.000 0.230 263 P C 1.407 178.394 177.300 -0.522 0.000 1.158 263 P CA 0.435 63.306 63.100 -0.380 0.000 0.769 263 P CB 0.507 31.974 31.700 -0.388 0.000 0.807 264 V N 0.029 119.809 119.914 -0.223 0.000 2.392 264 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 264 V C 2.475 178.590 176.094 0.036 0.000 1.059 264 V CA 1.763 64.087 62.300 0.041 0.000 1.051 264 V CB -1.020 30.655 31.823 -0.247 0.000 0.658 264 V HN 0.101 nan 8.190 nan 0.000 0.455 265 L N 0.554 121.616 121.223 -0.267 0.000 2.071 265 L HA -0.028 4.312 4.340 -0.000 0.000 0.201 265 L C 2.761 179.401 176.870 -0.383 0.000 1.076 265 L CA 2.290 56.800 54.840 -0.551 0.000 0.755 265 L CB -0.827 40.865 42.059 -0.611 0.000 0.915 265 L HN 0.446 nan 8.230 nan 0.000 0.445 266 S N -1.508 114.001 115.700 -0.319 0.000 2.374 266 S HA -0.285 4.184 4.470 -0.000 0.000 0.227 266 S C 1.962 176.419 174.600 -0.239 0.000 1.037 266 S CA 1.671 59.723 58.200 -0.247 0.000 1.024 266 S CB -1.044 62.032 63.200 -0.207 0.000 0.861 266 S HN 0.645 nan 8.310 nan 0.000 0.456 267 D N 0.706 120.905 120.400 -0.336 0.000 2.183 267 D HA -0.043 4.596 4.640 -0.000 0.000 0.203 267 D C 1.900 178.074 176.300 -0.209 0.000 0.969 267 D CA 1.037 54.843 54.000 -0.325 0.000 0.842 267 D CB 0.012 40.364 40.800 -0.747 0.000 0.957 267 D HN 0.354 nan 8.370 nan 0.000 0.484 268 I N 1.572 122.060 120.570 -0.135 0.000 2.353 268 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 268 I C 2.404 178.480 176.117 -0.068 0.000 1.119 268 I CA 0.444 61.710 61.300 -0.057 0.000 1.417 268 I CB -0.805 37.256 38.000 0.103 0.000 1.078 268 I HN 0.088 nan 8.210 nan 0.000 0.421 269 I N 0.618 121.127 120.570 -0.102 0.000 2.208 269 I HA -0.233 3.936 4.170 -0.000 0.000 0.245 269 I C 2.743 178.796 176.117 -0.107 0.000 1.097 269 I CA 1.246 62.489 61.300 -0.096 0.000 1.363 269 I CB -1.267 36.659 38.000 -0.124 0.000 1.051 269 I HN 0.032 nan 8.210 nan 0.000 0.413 270 V N 0.553 120.379 119.914 -0.145 0.000 2.295 270 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 270 V C 2.454 178.444 176.094 -0.174 0.000 1.049 270 V CA 2.124 64.322 62.300 -0.171 0.000 1.024 270 V CB -0.611 31.062 31.823 -0.250 0.000 0.648 270 V HN 0.385 nan 8.190 nan 0.000 0.447 271 S N -0.686 114.905 115.700 -0.183 0.000 2.470 271 S HA -0.035 4.434 4.470 -0.000 0.000 0.225 271 S C 1.901 176.443 174.600 -0.096 0.000 1.006 271 S CA 0.755 58.867 58.200 -0.147 0.000 0.934 271 S CB 0.342 63.459 63.200 -0.139 0.000 0.778 271 S HN 0.356 nan 8.310 nan 0.000 0.517 272 V N 2.805 122.673 119.914 -0.078 0.000 2.427 272 V HA -0.147 3.972 4.120 -0.000 0.000 0.248 272 V C 2.726 178.786 176.094 -0.056 0.000 1.051 272 V CA 1.823 64.091 62.300 -0.053 0.000 1.048 272 V CB -0.980 30.826 31.823 -0.028 0.000 0.666 272 V HN 0.701 nan 8.190 nan 0.000 0.456 273 S N 0.318 115.978 115.700 -0.066 0.000 2.400 273 S HA -0.286 4.183 4.470 -0.000 0.000 0.232 273 S C 1.927 176.486 174.600 -0.068 0.000 1.025 273 S CA 1.644 59.803 58.200 -0.067 0.000 0.993 273 S CB -0.457 62.698 63.200 -0.075 0.000 0.808 273 S HN 0.639 nan 8.310 nan 0.000 0.478 274 K N 1.164 121.520 120.400 -0.074 0.000 2.097 274 K HA -0.055 4.264 4.320 -0.000 0.000 0.206 274 K C 2.339 178.906 176.600 -0.055 0.000 1.049 274 K CA 1.586 57.834 56.287 -0.066 0.000 0.933 274 K CB -0.225 32.233 32.500 -0.070 0.000 0.717 274 K HN 0.579 nan 8.250 nan 0.000 0.442 275 E N 0.301 120.469 120.200 -0.052 0.000 2.160 275 E HA -0.129 4.220 4.350 -0.000 0.000 0.195 275 E C 1.433 178.009 176.600 -0.041 0.000 0.991 275 E CA 0.911 57.285 56.400 -0.043 0.000 0.810 275 E CB 0.045 29.721 29.700 -0.040 0.000 0.742 275 E HN 0.308 nan 8.360 nan 0.000 0.466 276 M N 0.242 119.815 119.600 -0.045 0.000 2.475 276 M HA 0.073 4.552 4.480 -0.000 0.000 0.261 276 M C 1.456 177.724 176.300 -0.055 0.000 1.177 276 M CA 0.165 55.438 55.300 -0.044 0.000 0.979 276 M CB 0.286 32.861 32.600 -0.042 0.000 1.482 276 M HN 0.088 nan 8.290 nan 0.000 0.484 277 E N 1.758 121.924 120.200 -0.058 0.000 2.065 277 E HA -0.256 4.094 4.350 -0.000 0.000 0.201 277 E C 1.319 177.883 176.600 -0.060 0.000 1.016 277 E CA 1.853 58.214 56.400 -0.065 0.000 0.818 277 E CB 0.211 29.877 29.700 -0.056 0.000 0.749 277 E HN 0.461 nan 8.360 nan 0.000 0.453 278 N N 0.222 118.896 118.700 -0.044 0.000 2.331 278 N HA -0.117 4.622 4.740 -0.000 0.000 0.180 278 N C 1.449 176.938 175.510 -0.035 0.000 1.019 278 N CA 0.806 53.834 53.050 -0.037 0.000 0.881 278 N CB -0.085 38.386 38.487 -0.027 0.000 0.972 278 N HN 0.260 nan 8.380 nan 0.000 0.435 279 E N 0.179 120.357 120.200 -0.036 0.000 2.077 279 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 279 E C 1.727 178.303 176.600 -0.041 0.000 0.989 279 E CA 1.072 57.454 56.400 -0.030 0.000 0.800 279 E CB -0.000 29.684 29.700 -0.027 0.000 0.746 279 E HN 0.380 nan 8.360 nan 0.000 0.452 280 A N 0.937 123.714 122.820 -0.071 0.000 1.897 280 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 280 A C 2.077 179.585 177.584 -0.126 0.000 1.181 280 A CA 1.074 53.036 52.037 -0.124 0.000 0.620 280 A CB -0.312 18.583 19.000 -0.176 0.000 0.821 280 A HN 0.122 nan 8.150 nan 0.000 0.443 281 R N -0.486 119.959 120.500 -0.090 0.000 2.115 281 R HA -0.044 4.295 4.340 -0.000 0.000 0.230 281 R C 2.334 178.619 176.300 -0.025 0.000 1.111 281 R CA 1.021 57.083 56.100 -0.064 0.000 0.976 281 R CB -0.430 29.841 30.300 -0.048 0.000 0.870 281 R HN 0.501 nan 8.270 nan 0.000 0.445 282 A N 1.117 123.927 122.820 -0.017 0.000 2.070 282 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 282 A C 2.116 179.717 177.584 0.029 0.000 1.159 282 A CA 1.591 53.631 52.037 0.005 0.000 0.656 282 A CB -0.264 18.737 19.000 0.002 0.000 0.800 282 A HN 0.366 nan 8.150 nan 0.000 0.453 283 A N -2.179 120.663 122.820 0.037 0.000 2.251 283 A HA 0.435 4.755 4.320 -0.000 0.000 0.209 283 A C 1.693 179.400 177.584 0.205 0.000 1.187 283 A CA 1.157 53.258 52.037 0.107 0.000 0.823 283 A CB -0.605 18.466 19.000 0.118 0.000 0.846 283 A HN 1.769 nan 8.150 nan 0.000 0.486 284 G N -2.316 106.568 108.800 0.140 0.000 2.179 284 G HA2 0.149 4.109 3.960 -0.000 0.000 0.220 284 G HA3 0.149 4.109 3.960 -0.000 0.000 0.220 284 G C 0.400 175.438 174.900 0.230 0.000 0.990 284 G CA 0.162 45.390 45.100 0.214 0.000 0.646 284 G HN 1.472 nan 8.290 nan 0.000 0.517 285 A N 0.011 122.777 122.820 -0.090 0.000 2.264 285 A HA 0.801 5.120 4.320 -0.000 0.000 0.304 285 A C 1.658 179.118 177.584 -0.207 0.000 1.100 285 A CA 1.120 52.876 52.037 -0.468 0.000 0.839 285 A CB 0.546 18.822 19.000 -1.206 0.000 1.121 285 A HN 1.309 nan 8.150 nan 0.000 0.496 286 T N -1.977 112.475 114.554 -0.171 0.000 3.055 286 T HA 0.446 4.796 4.350 -0.000 0.000 0.265 286 T C 0.898 175.524 174.700 -0.123 0.000 1.111 286 T CA 0.977 63.016 62.100 -0.102 0.000 1.118 286 T CB -0.336 68.494 68.868 -0.063 0.000 0.909 286 T HN 2.226 nan 8.240 nan 0.000 0.501 287 G N 0.344 109.034 108.800 -0.184 0.000 2.343 287 G HA2 0.377 4.336 3.960 -0.000 0.000 0.289 287 G HA3 0.377 4.336 3.960 -0.000 0.000 0.289 287 G C -1.853 172.936 174.900 -0.186 0.000 1.295 287 G CA -1.038 43.970 45.100 -0.153 0.000 0.869 287 G HN 0.343 nan 8.290 nan 0.000 0.522 288 I N 1.204 121.691 120.570 -0.138 0.000 2.315 288 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 288 I C -0.223 175.838 176.117 -0.093 0.000 1.006 288 I CA -0.681 60.545 61.300 -0.124 0.000 1.265 288 I CB 1.617 39.557 38.000 -0.099 0.000 1.387 288 I HN 0.371 nan 8.210 nan 0.000 0.475 289 N N 6.662 125.311 118.700 -0.085 0.000 2.678 289 N HA 0.234 4.974 4.740 -0.000 0.000 0.231 289 N C -0.889 174.590 175.510 -0.053 0.000 1.038 289 N CA -0.310 52.704 53.050 -0.060 0.000 0.932 289 N CB 0.780 39.238 38.487 -0.048 0.000 1.176 289 N HN 0.278 nan 8.380 nan 0.000 0.511 290 V N 3.666 123.546 119.914 -0.056 0.000 2.555 290 V HA 0.302 4.422 4.120 -0.000 0.000 0.286 290 V C 0.446 176.511 176.094 -0.050 0.000 1.044 290 V CA -0.441 61.826 62.300 -0.056 0.000 1.026 290 V CB 0.824 32.608 31.823 -0.066 0.000 0.981 290 V HN 0.454 nan 8.190 nan 0.000 0.480 291 V N 2.250 122.132 119.914 -0.053 0.000 3.040 291 V HA 1.028 5.148 4.120 -0.000 0.000 0.312 291 V C 0.162 176.210 176.094 -0.075 0.000 1.115 291 V CA -0.521 61.745 62.300 -0.058 0.000 0.998 291 V CB 1.842 33.630 31.823 -0.058 0.000 1.042 291 V HN 0.886 nan 8.190 nan 0.000 0.433 292 G N 1.803 110.551 108.800 -0.087 0.000 2.371 292 G HA2 0.745 4.705 3.960 -0.000 0.000 0.326 292 G HA3 0.745 4.705 3.960 -0.000 0.000 0.326 292 G C -0.973 173.810 174.900 -0.195 0.000 1.127 292 G CA -0.766 44.269 45.100 -0.108 0.000 0.885 292 G HN 0.825 nan 8.290 nan 0.000 0.477 293 I N 0.483 120.925 120.570 -0.214 0.000 2.608 293 I HA 0.351 4.520 4.170 -0.000 0.000 0.295 293 I C 0.531 176.524 176.117 -0.207 0.000 1.049 293 I CA -0.435 60.652 61.300 -0.355 0.000 1.063 293 I CB 1.793 39.437 38.000 -0.594 0.000 1.248 293 I HN 0.696 nan 8.210 nan 0.000 0.424 294 C N 2.555 121.762 119.300 -0.155 0.000 0.168 294 C HA -0.287 4.173 4.460 -0.000 0.000 0.017 294 C C 2.248 177.230 174.990 -0.013 0.000 0.171 294 C CA 0.040 59.074 59.018 0.027 0.000 0.499 294 C CB -1.415 26.392 27.740 0.112 0.000 3.212 294 C HN 1.051 nan 8.230 nan 0.000 1.118 295 C N -0.294 118.900 119.300 -0.176 0.000 2.457 295 C HA -0.052 4.408 4.460 -0.000 0.000 0.278 295 C C 2.672 177.596 174.990 -0.110 0.000 1.309 295 C CA 1.932 60.869 59.018 -0.135 0.000 1.735 295 C CB -1.433 26.183 27.740 -0.206 0.000 1.992 295 C HN 1.000 nan 8.230 nan 0.000 0.493 296 T N 0.056 114.499 114.554 -0.185 0.000 2.833 296 T HA -0.059 4.291 4.350 -0.000 0.000 0.269 296 T C 1.801 176.458 174.700 -0.071 0.000 1.054 296 T CA 1.885 63.920 62.100 -0.109 0.000 1.135 296 T CB -0.369 68.417 68.868 -0.137 0.000 0.869 296 T HN 0.649 nan 8.240 nan 0.000 0.466 297 G N 1.187 109.952 108.800 -0.059 0.000 2.418 297 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.217 297 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.217 297 G C 1.745 176.650 174.900 0.008 0.000 1.158 297 G CA 0.535 45.610 45.100 -0.042 0.000 0.771 297 G HN 0.431 nan 8.290 nan 0.000 0.545 298 N N 0.669 119.400 118.700 0.053 0.000 2.166 298 N HA -0.081 4.658 4.740 -0.000 0.000 0.186 298 N C 2.187 177.696 175.510 -0.002 0.000 1.019 298 N CA 0.979 54.081 53.050 0.088 0.000 0.856 298 N CB -0.160 38.425 38.487 0.164 0.000 0.993 298 N HN 0.330 nan 8.380 nan 0.000 0.426 299 E N 0.550 120.746 120.200 -0.006 0.000 2.051 299 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 299 E C 2.127 178.690 176.600 -0.062 0.000 0.991 299 E CA 1.174 57.557 56.400 -0.029 0.000 0.799 299 E CB -0.418 29.269 29.700 -0.022 0.000 0.748 299 E HN 0.392 nan 8.360 nan 0.000 0.449 300 V N -0.551 119.342 119.914 -0.035 0.000 2.871 300 V HA -0.050 4.070 4.120 -0.000 0.000 0.256 300 V C 2.420 178.511 176.094 -0.005 0.000 1.082 300 V CA 0.899 63.216 62.300 0.030 0.000 1.105 300 V CB -0.731 31.128 31.823 0.060 0.000 0.713 300 V HN 0.070 nan 8.190 nan 0.000 0.473 301 L N -0.670 120.534 121.223 -0.032 0.000 2.017 301 L HA -0.091 4.248 4.340 -0.000 0.000 0.208 301 L C 2.674 179.471 176.870 -0.122 0.000 1.073 301 L CA 2.009 56.821 54.840 -0.046 0.000 0.745 301 L CB -0.240 41.813 42.059 -0.009 0.000 0.894 301 L HN 0.185 nan 8.230 nan 0.000 0.432 302 M N -0.686 118.806 119.600 -0.180 0.000 2.159 302 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 302 M C 2.370 178.527 176.300 -0.239 0.000 1.063 302 M CA 1.724 56.880 55.300 -0.238 0.000 1.110 302 M CB -0.967 31.496 32.600 -0.229 0.000 1.374 302 M HN 0.311 nan 8.290 nan 0.000 0.411 303 R N -1.604 118.711 120.500 -0.308 0.000 2.189 303 R HA 0.006 4.346 4.340 -0.000 0.000 0.203 303 R C 0.872 176.768 176.300 -0.673 0.000 1.012 303 R CA 0.770 56.557 56.100 -0.522 0.000 1.015 303 R CB 0.169 30.045 30.300 -0.707 0.000 0.938 303 R HN 0.545 nan 8.270 nan 0.000 0.472 304 H N -2.033 117.006 119.070 -0.053 0.000 3.233 304 H HA 0.246 4.801 4.556 -0.001 0.000 0.263 304 H C 0.726 176.025 175.328 -0.048 0.000 1.168 304 H CA 0.258 56.278 56.048 -0.046 0.000 1.159 304 H CB 1.654 31.387 29.762 -0.047 0.000 1.593 304 H HN 0.315 nan 8.280 nan 0.000 0.580 305 G N 1.590 110.390 108.800 0.001 0.000 2.179 305 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 305 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 305 G C 0.030 174.939 174.900 0.015 0.000 1.010 305 G CA 0.046 45.143 45.100 -0.004 0.000 0.736 305 G HN 0.233 nan 8.290 nan 0.000 0.513 306 I N 2.112 122.700 120.570 0.030 0.000 2.618 306 I HA 0.145 4.315 4.170 -0.000 0.000 0.284 306 I C -1.184 174.935 176.117 0.003 0.000 1.146 306 I CA -2.046 59.261 61.300 0.012 0.000 1.425 306 I CB 0.181 38.188 38.000 0.011 0.000 1.383 306 I HN 0.039 nan 8.210 nan 0.000 0.562 307 P HA 0.149 nan 4.420 nan 0.000 0.275 307 P C -0.828 176.465 177.300 -0.012 0.000 1.227 307 P CA -0.504 62.596 63.100 0.000 0.000 0.781 307 P CB 0.932 32.629 31.700 -0.006 0.000 0.906 308 A N 2.511 125.334 122.820 0.005 0.000 2.309 308 A HA 0.213 4.532 4.320 -0.000 0.000 0.290 308 A C 1.510 179.045 177.584 -0.081 0.000 1.206 308 A CA -0.550 51.468 52.037 -0.032 0.000 0.850 308 A CB -0.440 18.607 19.000 0.078 0.000 1.118 308 A HN 0.760 nan 8.150 nan 0.000 0.523 309 C N 2.144 121.354 119.300 -0.150 0.000 2.543 309 C HA 0.340 4.800 4.460 -0.000 0.000 0.281 309 C C 1.355 176.243 174.990 -0.170 0.000 1.276 309 C CA 1.787 60.726 59.018 -0.133 0.000 1.700 309 C CB -0.251 27.411 27.740 -0.130 0.000 2.093 309 C HN 0.994 nan 8.230 nan 0.000 0.488 310 T N -2.828 111.524 114.554 -0.336 0.000 2.653 310 T HA 0.496 4.845 4.350 -0.000 0.000 0.306 310 T C -2.259 172.013 174.700 -0.713 0.000 1.426 310 T CA -0.414 61.486 62.100 -0.333 0.000 1.008 310 T CB 1.012 69.812 68.868 -0.114 0.000 1.692 310 T HN 0.562 nan 8.240 nan 0.000 0.483 311 H N -0.248 118.802 119.070 -0.034 0.000 3.012 311 H HA 0.727 5.283 4.556 -0.001 0.000 0.367 311 H C 0.363 175.695 175.328 0.006 0.000 1.211 311 H CA 0.384 56.415 56.048 -0.028 0.000 1.139 311 H CB 1.617 31.371 29.762 -0.013 0.000 1.838 311 H HN 0.831 nan 8.280 nan 0.000 0.550 312 S N -0.170 115.613 115.700 0.138 0.000 4.054 312 S HA -0.311 4.159 4.470 -0.000 0.000 0.618 312 S C 1.772 176.408 174.600 0.061 0.000 2.026 312 S CA 1.743 60.018 58.200 0.125 0.000 4.205 312 S CB -1.276 62.012 63.200 0.147 0.000 0.233 312 S HN 0.699 nan 8.310 nan 0.000 0.612 313 V N 2.570 122.500 119.914 0.027 0.000 2.568 313 V HA -0.058 4.062 4.120 -0.000 0.000 0.253 313 V C 2.103 178.121 176.094 -0.126 0.000 1.072 313 V CA 3.070 65.290 62.300 -0.133 0.000 1.084 313 V CB -0.643 31.058 31.823 -0.204 0.000 0.676 313 V HN 1.074 nan 8.190 nan 0.000 0.469 314 S N -0.197 115.564 115.700 0.101 0.000 2.634 314 S HA -0.003 4.467 4.470 -0.000 0.000 0.221 314 S C 1.567 176.234 174.600 0.112 0.000 0.952 314 S CA 0.342 58.685 58.200 0.238 0.000 0.930 314 S CB 0.071 63.472 63.200 0.336 0.000 0.780 314 S HN 0.867 nan 8.310 nan 0.000 0.498 315 Q N 1.702 121.520 119.800 0.030 0.000 2.226 315 Q HA -0.155 4.184 4.340 -0.000 0.000 0.204 315 Q C 1.327 177.328 176.000 0.003 0.000 0.975 315 Q CA 1.613 57.392 55.803 -0.040 0.000 0.866 315 Q CB -0.727 27.965 28.738 -0.077 0.000 0.915 315 Q HN 0.659 nan 8.270 nan 0.000 0.440 316 E N 0.361 120.594 120.200 0.054 0.000 2.204 316 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 316 E C 1.878 178.522 176.600 0.073 0.000 0.989 316 E CA 0.934 57.375 56.400 0.068 0.000 0.824 316 E CB -0.016 29.737 29.700 0.089 0.000 0.756 316 E HN 0.392 nan 8.360 nan 0.000 0.477 317 M N 0.198 119.855 119.600 0.096 0.000 2.296 317 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 317 M C 2.328 178.652 176.300 0.040 0.000 1.064 317 M CA 0.968 56.319 55.300 0.085 0.000 1.109 317 M CB -0.927 31.739 32.600 0.110 0.000 1.396 317 M HN 0.130 nan 8.290 nan 0.000 0.430 318 A N 0.130 122.958 122.820 0.013 0.000 1.972 318 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 318 A C 2.230 179.818 177.584 0.006 0.000 1.169 318 A CA 1.452 53.484 52.037 -0.008 0.000 0.635 318 A CB -0.535 18.437 19.000 -0.046 0.000 0.810 318 A HN 0.501 nan 8.150 nan 0.000 0.446 319 M N -0.569 119.041 119.600 0.017 0.000 2.254 319 M HA -0.032 4.448 4.480 -0.000 0.000 0.265 319 M C 1.536 177.852 176.300 0.027 0.000 1.066 319 M CA 0.899 56.213 55.300 0.024 0.000 1.123 319 M CB -0.315 32.306 32.600 0.034 0.000 1.388 319 M HN 0.245 nan 8.290 nan 0.000 0.425 320 I N 0.749 121.339 120.570 0.034 0.000 2.614 320 I HA -0.165 4.004 4.170 -0.000 0.000 0.258 320 I C 2.602 178.733 176.117 0.023 0.000 1.189 320 I CA 1.620 62.940 61.300 0.033 0.000 1.462 320 I CB -1.802 36.225 38.000 0.045 0.000 1.092 320 I HN 0.430 nan 8.210 nan 0.000 0.442 321 T N -1.192 113.374 114.554 0.019 0.000 2.849 321 T HA -0.087 4.262 4.350 -0.000 0.000 0.270 321 T C 1.788 176.496 174.700 0.013 0.000 1.066 321 T CA 1.384 63.492 62.100 0.014 0.000 1.130 321 T CB -0.457 68.418 68.868 0.012 0.000 0.864 321 T HN 0.500 nan 8.240 nan 0.000 0.481 322 G N 0.649 109.457 108.800 0.014 0.000 2.199 322 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.254 322 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.254 322 G C 0.877 175.785 174.900 0.012 0.000 0.982 322 G CA 0.200 45.306 45.100 0.009 0.000 0.632 322 G HN 1.378 nan 8.290 nan 0.000 0.529 323 A N -0.820 122.013 122.820 0.021 0.000 2.390 323 A HA 0.722 5.042 4.320 -0.000 0.000 0.232 323 A C 0.750 178.364 177.584 0.050 0.000 1.233 323 A CA 0.630 52.690 52.037 0.039 0.000 0.907 323 A CB 0.259 19.283 19.000 0.041 0.000 0.967 323 A HN 1.101 nan 8.150 nan 0.000 0.512 324 L N 1.007 122.251 121.223 0.034 0.000 2.268 324 L HA 0.316 4.656 4.340 -0.000 0.000 0.289 324 L C 0.199 177.094 176.870 0.042 0.000 1.064 324 L CA 0.025 54.883 54.840 0.031 0.000 0.824 324 L CB 0.308 42.376 42.059 0.016 0.000 1.202 324 L HN 0.210 nan 8.230 nan 0.000 0.433 325 D N 3.840 124.276 120.400 0.060 0.000 2.194 325 D HA 0.114 4.753 4.640 -0.000 0.000 0.204 325 D C 0.296 176.625 176.300 0.048 0.000 0.964 325 D CA 1.040 55.083 54.000 0.073 0.000 0.846 325 D CB 0.484 41.360 40.800 0.126 0.000 0.962 325 D HN 0.559 nan 8.370 nan 0.000 0.490 326 A N 0.124 122.964 122.820 0.033 0.000 2.549 326 A HA 0.629 4.948 4.320 -0.000 0.000 0.297 326 A C -1.308 176.285 177.584 0.015 0.000 1.061 326 A CA -0.613 51.437 52.037 0.022 0.000 0.690 326 A CB 2.076 21.085 19.000 0.015 0.000 1.287 326 A HN 0.055 nan 8.150 nan 0.000 0.402 327 M N 3.150 122.763 119.600 0.022 0.000 2.093 327 M HA 0.577 5.057 4.480 -0.000 0.000 0.297 327 M C -1.991 174.322 176.300 0.022 0.000 0.938 327 M CA -0.458 54.863 55.300 0.034 0.000 0.920 327 M CB 0.513 33.153 32.600 0.066 0.000 1.517 327 M HN 0.597 nan 8.290 nan 0.000 0.427 328 I N 6.487 127.057 120.570 -0.000 0.000 2.312 328 I HA 0.361 4.531 4.170 -0.000 0.000 0.290 328 I C -0.891 175.191 176.117 -0.059 0.000 1.008 328 I CA -0.554 60.720 61.300 -0.043 0.000 1.226 328 I CB 1.046 39.000 38.000 -0.077 0.000 1.371 328 I HN 0.639 nan 8.210 nan 0.000 0.468 329 L N 5.791 126.969 121.223 -0.076 0.000 2.334 329 L HA 0.483 4.823 4.340 -0.000 0.000 0.273 329 L C 0.007 176.788 176.870 -0.148 0.000 1.013 329 L CA -0.560 54.213 54.840 -0.113 0.000 0.816 329 L CB 1.650 43.655 42.059 -0.089 0.000 1.278 329 L HN 0.589 nan 8.230 nan 0.000 0.431 330 D N 0.122 120.392 120.400 -0.217 0.000 3.094 330 D HA 0.156 4.795 4.640 -0.000 0.000 0.267 330 D C -0.622 175.572 176.300 -0.176 0.000 1.542 330 D CA 0.453 54.278 54.000 -0.291 0.000 1.157 330 D CB 0.117 40.568 40.800 -0.582 0.000 1.098 330 D HN 0.365 nan 8.370 nan 0.000 0.340 331 Y N -2.454 117.875 120.300 0.049 0.000 2.677 331 Y HA 0.574 5.124 4.550 -0.000 0.000 0.334 331 Y C -1.326 174.633 175.900 0.098 0.000 1.196 331 Y CA -1.838 56.287 58.100 0.042 0.000 1.059 331 Y CB 0.429 38.907 38.460 0.031 0.000 1.315 331 Y HN 0.129 nan 8.280 nan 0.000 0.455 332 Q N -0.133 119.829 119.800 0.270 0.000 3.195 332 Q HA -0.072 4.267 4.340 -0.000 0.000 0.038 332 Q C -0.255 175.852 176.000 0.179 0.000 1.688 332 Q CA 0.654 56.531 55.803 0.122 0.000 0.257 332 Q CB -1.136 27.457 28.738 -0.241 0.000 0.583 332 Q HN 1.467 nan 8.270 nan 0.000 0.322 333 C N 0.221 119.617 119.300 0.161 0.000 4.497 333 C HA -0.211 4.249 4.460 -0.000 0.000 0.268 333 C C 0.618 175.696 174.990 0.147 0.000 1.343 333 C CA 0.642 59.784 59.018 0.207 0.000 1.742 333 C CB -2.120 25.794 27.740 0.291 0.000 1.450 333 C HN 0.574 nan 8.230 nan 0.000 0.733 334 I N 1.534 122.109 120.570 0.007 0.000 2.322 334 I HA 0.180 4.349 4.170 -0.000 0.000 0.292 334 I C 0.824 176.963 176.117 0.037 0.000 1.060 334 I CA 0.633 61.877 61.300 -0.092 0.000 1.309 334 I CB 0.463 38.293 38.000 -0.283 0.000 1.415 334 I HN 0.276 nan 8.210 nan 0.000 0.492 335 Q N 8.721 128.578 119.800 0.095 0.000 2.247 335 Q HA 0.022 4.361 4.340 -0.000 0.000 0.288 335 Q C -1.269 174.758 176.000 0.047 0.000 1.079 335 Q CA -1.119 54.719 55.803 0.059 0.000 0.932 335 Q CB 0.577 29.346 28.738 0.051 0.000 1.133 335 Q HN 0.443 nan 8.270 nan 0.000 0.377 336 P HA -0.150 nan 4.420 nan 0.000 0.230 336 P C 0.989 178.308 177.300 0.032 0.000 1.158 336 P CA 0.926 64.043 63.100 0.028 0.000 0.769 336 P CB 0.228 31.940 31.700 0.021 0.000 0.807 337 S N 0.603 116.322 115.700 0.033 0.000 2.420 337 S HA -0.180 4.290 4.470 -0.000 0.000 0.237 337 S C 2.021 176.647 174.600 0.043 0.000 1.023 337 S CA 1.666 59.887 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 0.179 nan 8.310 nan 0.000 0.488 338 V N 0.207 120.153 119.914 0.053 0.000 2.469 338 V HA 0.001 4.120 4.120 -0.000 0.000 0.251 338 V C 2.673 178.797 176.094 0.049 0.000 1.064 338 V CA 1.453 63.790 62.300 0.060 0.000 1.066 338 V CB -1.816 30.058 31.823 0.086 0.000 0.667 338 V HN 0.570 nan 8.190 nan 0.000 0.461 339 A N 0.331 123.176 122.820 0.043 0.000 2.015 339 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 339 A C 2.305 179.909 177.584 0.033 0.000 1.163 339 A CA 2.295 54.354 52.037 0.037 0.000 0.646 339 A CB -0.970 18.050 19.000 0.034 0.000 0.806 339 A HN 0.574 nan 8.150 nan 0.000 0.448 340 T N -0.082 114.492 114.554 0.033 0.000 2.894 340 T HA 0.063 4.413 4.350 -0.000 0.000 0.258 340 T C 1.770 176.490 174.700 0.032 0.000 1.043 340 T CA 1.105 63.223 62.100 0.030 0.000 1.141 340 T CB -0.297 68.588 68.868 0.029 0.000 0.873 340 T HN 0.400 nan 8.240 nan 0.000 0.449 341 I N 1.739 122.331 120.570 0.037 0.000 2.335 341 I HA -0.184 3.985 4.170 -0.000 0.000 0.251 341 I C 2.873 179.011 176.117 0.035 0.000 1.129 341 I CA 0.922 62.246 61.300 0.039 0.000 1.402 341 I CB -0.456 37.572 38.000 0.047 0.000 1.069 341 I HN 0.183 nan 8.210 nan 0.000 0.424 342 A N 0.936 123.777 122.820 0.035 0.000 1.986 342 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 342 A C 2.137 179.737 177.584 0.026 0.000 1.171 342 A CA 1.828 53.884 52.037 0.031 0.000 0.640 342 A CB -0.611 18.409 19.000 0.033 0.000 0.811 342 A HN 0.562 nan 8.150 nan 0.000 0.451 343 E N -0.826 119.389 120.200 0.025 0.000 2.153 343 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 343 E C 1.888 178.499 176.600 0.018 0.000 0.988 343 E CA 1.256 57.668 56.400 0.020 0.000 0.811 343 E CB -0.425 29.287 29.700 0.020 0.000 0.746 343 E HN 0.732 nan 8.360 nan 0.000 0.466 344 C N 0.383 119.695 119.300 0.020 0.000 2.504 344 C HA 0.016 4.476 4.460 -0.000 0.000 0.279 344 C C 2.867 177.866 174.990 0.016 0.000 1.358 344 C CA 1.020 60.050 59.018 0.019 0.000 1.747 344 C CB -0.652 27.102 27.740 0.023 0.000 2.037 344 C HN 0.594 nan 8.230 nan 0.000 0.503 345 T N -2.851 111.714 114.554 0.019 0.000 3.044 345 T HA 0.374 4.724 4.350 -0.000 0.000 0.250 345 T C 1.570 176.278 174.700 0.013 0.000 1.081 345 T CA 1.306 63.416 62.100 0.017 0.000 1.040 345 T CB 0.098 68.980 68.868 0.023 0.000 0.962 345 T HN 0.838 nan 8.240 nan 0.000 0.506 346 G N 1.182 109.990 108.800 0.014 0.000 2.199 346 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.254 346 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.254 346 G C 0.258 175.169 174.900 0.018 0.000 0.982 346 G CA 0.176 45.282 45.100 0.011 0.000 0.632 346 G HN 0.731 nan 8.290 nan 0.000 0.529 347 T N 2.137 116.705 114.554 0.023 0.000 2.940 347 T HA 0.432 4.782 4.350 -0.000 0.000 0.309 347 T C 0.601 175.319 174.700 0.030 0.000 1.056 347 T CA 1.014 63.132 62.100 0.029 0.000 1.137 347 T CB 1.070 69.956 68.868 0.031 0.000 0.976 347 T HN 0.234 nan 8.240 nan 0.000 0.547 348 T N 3.772 118.344 114.554 0.031 0.000 2.727 348 T HA 0.343 4.693 4.350 -0.000 0.000 0.298 348 T C 0.188 174.906 174.700 0.029 0.000 0.942 348 T CA -0.517 61.600 62.100 0.029 0.000 0.997 348 T CB 0.322 69.207 68.868 0.029 0.000 0.917 348 T HN 0.323 nan 8.240 nan 0.000 0.487 349 V N 6.148 126.081 119.914 0.033 0.000 2.406 349 V HA 0.432 4.552 4.120 -0.000 0.000 0.272 349 V C 0.122 176.235 176.094 0.031 0.000 1.043 349 V CA -0.554 61.767 62.300 0.035 0.000 0.915 349 V CB 0.721 32.570 31.823 0.043 0.000 0.988 349 V HN 0.769 nan 8.190 nan 0.000 0.466 350 I N 4.706 125.287 120.570 0.018 0.000 2.447 350 I HA 0.392 4.561 4.170 -0.000 0.000 0.287 350 I C 0.434 176.549 176.117 -0.004 0.000 1.023 350 I CA -0.345 60.959 61.300 0.006 0.000 1.083 350 I CB 2.295 40.286 38.000 -0.014 0.000 1.245 350 I HN 0.682 nan 8.210 nan 0.000 0.434 351 T N 0.265 114.839 114.554 0.034 0.000 2.918 351 T HA 0.441 4.791 4.350 -0.000 0.000 0.283 351 T C 0.692 175.329 174.700 -0.104 0.000 1.001 351 T CA -0.107 62.033 62.100 0.067 0.000 1.041 351 T CB 1.733 70.753 68.868 0.254 0.000 1.028 351 T HN 0.758 nan 8.240 nan 0.000 0.511 352 T N -2.213 112.312 114.554 -0.048 0.000 3.009 352 T HA 0.320 4.670 4.350 -0.000 0.000 0.267 352 T C 0.350 175.103 174.700 0.088 0.000 0.942 352 T CA -0.511 61.516 62.100 -0.123 0.000 0.883 352 T CB 0.242 69.064 68.868 -0.077 0.000 1.192 352 T HN 0.454 nan 8.240 nan 0.000 0.524 353 M N 1.680 121.424 119.600 0.240 0.000 2.364 353 M HA 0.514 4.994 4.480 -0.000 0.000 0.334 353 M C 0.890 177.346 176.300 0.261 0.000 1.107 353 M CA -0.546 54.896 55.300 0.237 0.000 0.988 353 M CB 1.711 34.448 32.600 0.229 0.000 1.673 353 M HN 0.100 nan 8.290 nan 0.000 0.441 354 E N 2.155 122.450 120.200 0.159 0.000 2.204 354 E HA -0.161 4.188 4.350 -0.000 0.000 0.194 354 E C 1.035 177.635 176.600 -0.001 0.000 0.989 354 E CA 1.295 57.726 56.400 0.053 0.000 0.824 354 E CB 0.187 29.902 29.700 0.025 0.000 0.756 354 E HN 0.626 nan 8.360 nan 0.000 0.477 355 M N -1.388 118.225 119.600 0.022 0.000 2.505 355 M HA 0.206 4.686 4.480 -0.000 0.000 0.230 355 M C 0.208 176.523 176.300 0.024 0.000 1.153 355 M CA 0.182 55.478 55.300 -0.006 0.000 0.997 355 M CB 0.970 33.545 32.600 -0.041 0.000 1.606 355 M HN -0.223 nan 8.290 nan 0.000 0.481 356 S N 0.760 116.500 115.700 0.067 0.000 2.381 356 S HA 0.488 4.958 4.470 -0.000 0.000 0.193 356 S C -0.890 173.757 174.600 0.077 0.000 1.287 356 S CA -0.752 57.498 58.200 0.084 0.000 1.199 356 S CB 0.324 63.623 63.200 0.165 0.000 1.214 356 S HN 0.431 nan 8.310 nan 0.000 0.444 357 K N 2.446 122.859 120.400 0.021 0.000 2.221 357 K HA 0.693 5.013 4.320 -0.000 0.000 0.243 357 K C -0.920 175.691 176.600 0.018 0.000 0.968 357 K CA -0.913 55.379 56.287 0.008 0.000 0.846 357 K CB 1.795 34.237 32.500 -0.098 0.000 1.141 357 K HN 0.445 nan 8.250 nan 0.000 0.434 358 I N 1.272 121.861 120.570 0.031 0.000 2.512 358 I HA 0.121 4.291 4.170 -0.000 0.000 0.287 358 I C -0.356 175.774 176.117 0.022 0.000 1.069 358 I CA -0.791 60.524 61.300 0.025 0.000 1.056 358 I CB 2.191 40.210 38.000 0.032 0.000 1.229 358 I HN 0.513 nan 8.210 nan 0.000 0.429 359 T N 4.548 119.110 114.554 0.013 0.000 2.866 359 T HA 0.219 4.569 4.350 -0.000 0.000 0.293 359 T C 1.167 175.879 174.700 0.020 0.000 1.005 359 T CA 1.330 63.437 62.100 0.012 0.000 1.162 359 T CB 0.594 69.466 68.868 0.007 0.000 0.968 359 T HN 1.139 nan 8.240 nan 0.000 0.530 360 G N 1.758 110.572 108.800 0.023 0.000 2.217 360 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.246 360 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.246 360 G C 0.255 175.175 174.900 0.034 0.000 0.990 360 G CA -0.061 45.055 45.100 0.026 0.000 0.627 360 G HN 1.166 nan 8.290 nan 0.000 0.522 361 A N 0.223 123.069 122.820 0.043 0.000 2.302 361 A HA 0.750 5.070 4.320 -0.000 0.000 0.285 361 A C 0.629 178.254 177.584 0.068 0.000 1.105 361 A CA 0.813 52.882 52.037 0.053 0.000 0.816 361 A CB 0.543 19.579 19.000 0.060 0.000 1.067 361 A HN 0.692 nan 8.150 nan 0.000 0.489 362 T N 1.472 116.064 114.554 0.063 0.000 2.884 362 T HA 0.326 4.676 4.350 -0.000 0.000 0.298 362 T C -0.311 174.453 174.700 0.107 0.000 0.998 362 T CA 0.625 62.769 62.100 0.073 0.000 1.124 362 T CB -0.013 68.882 68.868 0.045 0.000 0.931 362 T HN 0.663 nan 8.240 nan 0.000 0.531 363 H N 2.119 121.204 119.070 0.024 0.000 2.476 363 H HA 0.564 5.120 4.556 -0.000 0.000 0.328 363 H C -1.141 174.209 175.328 0.038 0.000 1.073 363 H CA -0.529 55.537 56.048 0.030 0.000 1.229 363 H CB 0.643 30.421 29.762 0.027 0.000 1.432 363 H HN 0.323 nan 8.280 nan 0.000 0.477 364 V N 5.833 125.497 119.914 -0.417 0.000 2.349 364 V HA 0.138 4.257 4.120 -0.000 0.000 0.284 364 V C 0.172 176.062 176.094 -0.340 0.000 1.014 364 V CA -1.035 61.128 62.300 -0.228 0.000 0.826 364 V CB 0.906 32.681 31.823 -0.079 0.000 1.009 364 V HN 0.897 nan 8.190 nan 0.000 0.431 365 N N 3.143 121.719 118.700 -0.206 0.000 2.411 365 N HA 0.097 4.836 4.740 -0.000 0.000 0.261 365 N C -0.922 174.616 175.510 0.047 0.000 1.248 365 N CA 0.012 53.032 53.050 -0.050 0.000 0.885 365 N CB 0.344 38.872 38.487 0.069 0.000 1.062 365 N HN 0.585 nan 8.380 nan 0.000 0.471 366 F N 3.476 123.394 119.950 -0.053 0.000 2.427 366 F HA 0.603 5.130 4.527 -0.001 0.000 0.346 366 F C -0.398 175.432 175.800 0.050 0.000 1.120 366 F CA -0.707 57.295 58.000 0.004 0.000 1.033 366 F CB 0.893 39.900 39.000 0.012 0.000 1.126 366 F HN 0.418 nan 8.300 nan 0.000 0.462 367 A N 4.858 127.446 122.820 -0.385 0.000 2.355 367 A HA 0.501 4.821 4.320 -0.000 0.000 0.317 367 A C 0.439 177.793 177.584 -0.384 0.000 1.094 367 A CA -0.614 51.285 52.037 -0.230 0.000 0.764 367 A CB 0.961 19.884 19.000 -0.129 0.000 1.230 367 A HN 0.823 nan 8.150 nan 0.000 0.448 368 E N 1.232 121.359 120.200 -0.121 0.000 2.153 368 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 368 E C 0.929 177.575 176.600 0.078 0.000 0.988 368 E CA 1.827 58.252 56.400 0.043 0.000 0.811 368 E CB -0.049 29.653 29.700 0.003 0.000 0.746 368 E HN 0.820 nan 8.360 nan 0.000 0.466 369 E N 0.002 120.197 120.200 -0.009 0.000 2.338 369 E HA -0.029 4.321 4.350 -0.000 0.000 0.197 369 E C 0.750 177.327 176.600 -0.038 0.000 1.007 369 E CA 1.113 57.515 56.400 0.002 0.000 0.849 369 E CB 0.169 29.863 29.700 -0.010 0.000 0.774 369 E HN 0.269 nan 8.360 nan 0.000 0.506 370 A N -0.328 122.421 122.820 -0.119 0.000 2.594 370 A HA 0.649 4.969 4.320 -0.000 0.000 0.292 370 A C 1.515 178.964 177.584 -0.225 0.000 1.026 370 A CA 0.282 52.236 52.037 -0.138 0.000 0.983 370 A CB 0.074 19.001 19.000 -0.121 0.000 1.233 370 A HN 0.167 nan 8.150 nan 0.000 0.519 371 A N -0.294 122.372 122.820 -0.257 0.000 1.883 371 A HA -0.026 4.293 4.320 -0.000 0.000 0.217 371 A C 1.984 179.509 177.584 -0.099 0.000 1.186 371 A CA 2.188 53.993 52.037 -0.386 0.000 0.624 371 A CB -0.629 18.321 19.000 -0.084 0.000 0.822 371 A HN 0.542 nan 8.150 nan 0.000 0.444 372 V N 0.018 119.891 119.914 -0.068 0.000 2.307 372 V HA -0.259 3.860 4.120 -0.000 0.000 0.245 372 V C 2.426 178.513 176.094 -0.011 0.000 1.045 372 V CA 2.308 64.594 62.300 -0.024 0.000 1.024 372 V CB -0.864 30.931 31.823 -0.046 0.000 0.651 372 V HN 0.653 nan 8.190 nan 0.000 0.449 373 E N 0.301 120.480 120.200 -0.034 0.000 2.077 373 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 373 E C 2.101 178.697 176.600 -0.007 0.000 0.989 373 E CA 1.467 57.853 56.400 -0.023 0.000 0.800 373 E CB -0.239 29.441 29.700 -0.033 0.000 0.746 373 E HN 0.563 nan 8.360 nan 0.000 0.452 374 N N 0.789 119.474 118.700 -0.024 0.000 2.120 374 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 374 N C 1.673 177.261 175.510 0.129 0.000 1.024 374 N CA 1.298 54.367 53.050 0.032 0.000 0.852 374 N CB -0.424 38.035 38.487 -0.047 0.000 1.003 374 N HN 0.146 nan 8.380 nan 0.000 0.424 375 A N 1.394 124.321 122.820 0.180 0.000 1.902 375 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 375 A C 2.119 179.740 177.584 0.061 0.000 1.181 375 A CA 1.352 53.483 52.037 0.157 0.000 0.623 375 A CB -0.374 18.720 19.000 0.157 0.000 0.818 375 A HN 0.236 nan 8.150 nan 0.000 0.443 376 K N -0.751 119.671 120.400 0.036 0.000 2.097 376 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 376 K C 2.387 178.996 176.600 0.015 0.000 1.049 376 K CA 1.599 57.894 56.287 0.014 0.000 0.933 376 K CB -0.160 32.342 32.500 0.003 0.000 0.717 376 K HN 0.715 nan 8.250 nan 0.000 0.442 377 Q N 1.087 120.900 119.800 0.021 0.000 2.084 377 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 377 Q C 2.026 178.037 176.000 0.019 0.000 0.978 377 Q CA 1.385 57.199 55.803 0.018 0.000 0.844 377 Q CB -0.025 28.724 28.738 0.018 0.000 0.898 377 Q HN 0.306 nan 8.270 nan 0.000 0.426 378 I N 0.421 121.007 120.570 0.028 0.000 2.179 378 I HA -0.299 3.870 4.170 -0.000 0.000 0.242 378 I C 2.182 178.304 176.117 0.009 0.000 1.088 378 I CA 0.954 62.265 61.300 0.017 0.000 1.357 378 I CB -0.144 37.868 38.000 0.022 0.000 1.051 378 I HN 0.273 nan 8.210 nan 0.000 0.409 379 L N 0.020 121.246 121.223 0.006 0.000 2.141 379 L HA -0.136 4.203 4.340 -0.000 0.000 0.209 379 L C 2.653 179.524 176.870 0.001 0.000 1.094 379 L CA 1.077 55.914 54.840 -0.004 0.000 0.763 379 L CB -0.459 41.591 42.059 -0.015 0.000 0.908 379 L HN 0.139 nan 8.230 nan 0.000 0.437 380 R N -0.124 120.379 120.500 0.006 0.000 2.115 380 R HA -0.106 4.233 4.340 -0.000 0.000 0.230 380 R C 2.248 178.561 176.300 0.021 0.000 1.111 380 R CA 1.020 57.127 56.100 0.012 0.000 0.976 380 R CB -0.301 30.006 30.300 0.011 0.000 0.870 380 R HN 0.325 nan 8.270 nan 0.000 0.445 381 L N 0.021 121.256 121.223 0.020 0.000 2.083 381 L HA -0.177 4.162 4.340 -0.000 0.000 0.209 381 L C 2.640 179.531 176.870 0.035 0.000 1.083 381 L CA 1.256 56.111 54.840 0.025 0.000 0.752 381 L CB -0.591 41.480 42.059 0.021 0.000 0.899 381 L HN 0.256 nan 8.230 nan 0.000 0.433 382 A N 0.422 123.260 122.820 0.030 0.000 1.873 382 A HA -0.161 4.158 4.320 -0.000 0.000 0.215 382 A C 2.196 179.825 177.584 0.075 0.000 1.186 382 A CA 1.436 53.498 52.037 0.042 0.000 0.616 382 A CB -0.615 18.396 19.000 0.019 0.000 0.823 382 A HN 0.334 nan 8.150 nan 0.000 0.442 383 I N 0.056 120.658 120.570 0.055 0.000 2.226 383 I HA -0.249 3.920 4.170 -0.000 0.000 0.245 383 I C 1.790 177.989 176.117 0.137 0.000 1.100 383 I CA 1.437 62.789 61.300 0.086 0.000 1.374 383 I CB -0.495 37.523 38.000 0.031 0.000 1.057 383 I HN 0.244 nan 8.210 nan 0.000 0.413 384 D N 0.468 120.919 120.400 0.084 0.000 2.149 384 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 384 D C 2.227 178.572 176.300 0.075 0.000 0.990 384 D CA 1.620 55.662 54.000 0.072 0.000 0.839 384 D CB -0.388 40.438 40.800 0.044 0.000 0.948 384 D HN 0.288 nan 8.370 nan 0.000 0.460 385 T N 0.466 115.068 114.554 0.081 0.000 2.777 385 T HA -0.128 4.221 4.350 -0.000 0.000 0.266 385 T C 1.693 176.438 174.700 0.074 0.000 1.040 385 T CA 0.521 62.660 62.100 0.064 0.000 1.141 385 T CB -0.444 68.461 68.868 0.063 0.000 0.868 385 T HN 0.136 nan 8.240 nan 0.000 0.444 386 F N 2.314 122.262 119.950 -0.002 0.000 2.091 386 F HA -0.140 4.386 4.527 -0.001 0.000 0.299 386 F C 2.119 177.918 175.800 -0.002 0.000 1.103 386 F CA 1.416 59.414 58.000 -0.003 0.000 1.228 386 F CB -0.204 38.792 39.000 -0.005 0.000 0.984 386 F HN -0.011 nan 8.300 nan 0.000 0.477 387 K N -0.128 120.299 120.400 0.045 0.000 2.147 387 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 387 K C 2.162 178.683 176.600 -0.132 0.000 1.049 387 K CA 1.346 57.602 56.287 -0.053 0.000 0.936 387 K CB -0.229 32.307 32.500 0.059 0.000 0.722 387 K HN 0.302 nan 8.250 nan 0.000 0.446 388 R N 0.867 121.315 120.500 -0.086 0.000 2.189 388 R HA -0.076 4.264 4.340 -0.000 0.000 0.218 388 R C 1.717 177.946 176.300 -0.119 0.000 1.074 388 R CA 0.925 56.980 56.100 -0.076 0.000 0.991 388 R CB 0.025 30.305 30.300 -0.034 0.000 0.883 388 R HN 0.279 nan 8.270 nan 0.000 0.457 389 R N 1.044 121.427 120.500 -0.195 0.000 2.466 389 R HA 0.146 4.486 4.340 -0.000 0.000 0.279 389 R C -0.458 175.680 176.300 -0.270 0.000 0.976 389 R CA -0.214 55.769 56.100 -0.195 0.000 1.081 389 R CB 0.050 30.251 30.300 -0.165 0.000 1.215 389 R HN -0.122 nan 8.270 nan 0.000 0.546 390 K N 1.388 121.603 120.400 -0.308 0.000 2.466 390 K HA 0.073 4.393 4.320 -0.000 0.000 0.278 390 K C 0.722 177.235 176.600 -0.145 0.000 1.048 390 K CA 0.926 57.059 56.287 -0.255 0.000 1.088 390 K CB 0.365 32.753 32.500 -0.188 0.000 0.884 390 K HN 0.468 nan 8.250 nan 0.000 0.478 391 G N 2.535 111.263 108.800 -0.119 0.000 2.179 391 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 391 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 391 G C -0.174 174.689 174.900 -0.062 0.000 0.977 391 G CA 0.060 45.116 45.100 -0.073 0.000 0.641 391 G HN 0.572 nan 8.290 nan 0.000 0.533 392 K N 1.718 122.071 120.400 -0.077 0.000 2.249 392 K HA 0.442 4.762 4.320 -0.000 0.000 0.280 392 K C -2.028 174.545 176.600 -0.044 0.000 1.033 392 K CA -1.292 54.962 56.287 -0.056 0.000 0.946 392 K CB 1.185 33.650 32.500 -0.059 0.000 1.005 392 K HN 0.164 nan 8.250 nan 0.000 0.469 393 P HA 0.068 nan 4.420 nan 0.000 0.275 393 P C -0.559 176.732 177.300 -0.015 0.000 1.228 393 P CA -0.438 62.651 63.100 -0.018 0.000 0.786 393 P CB 0.930 32.622 31.700 -0.013 0.000 0.927 394 V N -1.316 118.593 119.914 -0.008 0.000 3.126 394 V HA 0.610 4.730 4.120 -0.000 0.000 0.314 394 V C -0.436 175.660 176.094 0.002 0.000 1.138 394 V CA -0.939 61.360 62.300 -0.002 0.000 1.034 394 V CB 2.160 33.986 31.823 0.004 0.000 1.075 394 V HN 0.606 nan 8.190 nan 0.000 0.442 395 E N 1.480 121.683 120.200 0.005 0.000 2.593 395 E HA 0.487 4.837 4.350 -0.000 0.000 0.232 395 E C -1.368 175.235 176.600 0.006 0.000 1.026 395 E CA -0.506 55.897 56.400 0.004 0.000 0.772 395 E CB 1.061 30.763 29.700 0.003 0.000 1.310 395 E HN 0.771 nan 8.360 nan 0.000 0.413 396 I N 5.242 125.816 120.570 0.006 0.000 2.297 396 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 396 I C -2.065 174.053 176.117 0.002 0.000 1.033 396 I CA -2.163 59.140 61.300 0.005 0.000 1.253 396 I CB 0.962 38.967 38.000 0.008 0.000 1.396 396 I HN 0.295 nan 8.210 nan 0.000 0.476 397 P HA -0.029 nan 4.420 nan 0.000 0.265 397 P C -0.322 176.975 177.300 -0.004 0.000 1.193 397 P CA -0.071 63.027 63.100 -0.003 0.000 0.765 397 P CB 0.374 32.070 31.700 -0.006 0.000 0.823 398 N N 3.407 122.105 118.700 -0.004 0.000 3.303 398 N HA 0.172 4.912 4.740 -0.000 0.000 0.304 398 N C -1.037 174.469 175.510 -0.006 0.000 1.302 398 N CA 0.063 53.111 53.050 -0.004 0.000 1.213 398 N CB -0.934 37.552 38.487 -0.002 0.000 1.481 398 N HN 0.289 nan 8.380 nan 0.000 0.546 399 I N 1.794 122.359 120.570 -0.009 0.000 2.468 399 I HA 0.324 4.494 4.170 -0.000 0.000 0.285 399 I C -0.597 175.510 176.117 -0.017 0.000 1.039 399 I CA -0.754 60.537 61.300 -0.015 0.000 1.074 399 I CB 1.483 39.472 38.000 -0.019 0.000 1.228 399 I HN 0.198 nan 8.210 nan 0.000 0.436 400 K N 3.268 123.659 120.400 -0.015 0.000 2.555 400 K HA 0.770 5.089 4.320 -0.000 0.000 0.279 400 K C -1.161 175.434 176.600 -0.010 0.000 0.986 400 K CA -0.787 55.493 56.287 -0.012 0.000 0.880 400 K CB 2.306 34.803 32.500 -0.005 0.000 1.474 400 K HN 0.464 nan 8.250 nan 0.000 0.433 401 T N -1.824 112.729 114.554 -0.002 0.000 2.930 401 T HA 0.407 4.757 4.350 -0.000 0.000 0.290 401 T C -0.683 174.029 174.700 0.020 0.000 1.052 401 T CA -1.006 61.098 62.100 0.007 0.000 1.017 401 T CB 1.723 70.598 68.868 0.012 0.000 1.137 401 T HN 0.664 nan 8.240 nan 0.000 0.511 402 K N 0.920 121.335 120.400 0.024 0.000 2.205 402 K HA 0.567 4.887 4.320 -0.000 0.000 0.279 402 K C -1.428 175.204 176.600 0.054 0.000 1.027 402 K CA -0.705 55.602 56.287 0.033 0.000 0.932 402 K CB 0.702 33.218 32.500 0.027 0.000 1.032 402 K HN 0.490 nan 8.250 nan 0.000 0.466 403 V N 4.993 124.945 119.914 0.064 0.000 2.482 403 V HA 0.234 4.353 4.120 -0.000 0.000 0.295 403 V C -0.724 175.429 176.094 0.097 0.000 1.026 403 V CA -0.989 61.368 62.300 0.096 0.000 0.856 403 V CB 1.710 33.599 31.823 0.110 0.000 1.001 403 V HN 0.560 nan 8.190 nan 0.000 0.424 404 V N 4.507 124.500 119.914 0.132 0.000 2.439 404 V HA 0.926 5.046 4.120 -0.000 0.000 0.282 404 V C 0.499 176.722 176.094 0.216 0.000 1.039 404 V CA 0.356 62.741 62.300 0.141 0.000 0.913 404 V CB 1.167 33.105 31.823 0.191 0.000 0.983 404 V HN 1.092 nan 8.190 nan 0.000 0.460 405 A N 3.079 125.930 122.820 0.052 0.000 3.065 405 A HA 0.879 5.199 4.320 -0.000 0.000 0.293 405 A C 0.783 178.137 177.584 -0.382 0.000 1.213 405 A CA -0.087 51.961 52.037 0.018 0.000 0.667 405 A CB 0.589 19.591 19.000 0.004 0.000 1.412 405 A HN 2.002 nan 8.150 nan 0.000 0.601 406 G N -1.915 106.671 108.800 -0.357 0.000 2.137 406 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.237 406 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.237 406 G C -0.175 174.449 174.900 -0.459 0.000 1.002 406 G CA 0.378 45.236 45.100 -0.404 0.000 0.702 406 G HN 0.901 nan 8.290 nan 0.000 0.515 407 F N 3.153 123.086 119.950 -0.027 0.000 2.640 407 F HA 0.415 4.942 4.527 -0.001 0.000 0.354 407 F C 1.613 177.414 175.800 0.002 0.000 1.213 407 F CA -0.028 57.975 58.000 0.005 0.000 1.314 407 F CB 0.086 39.109 39.000 0.039 0.000 1.679 407 F HN 0.308 nan 8.300 nan 0.000 0.622 408 S N -0.989 114.745 115.700 0.058 0.000 2.580 408 S HA -0.030 4.439 4.470 -0.000 0.000 0.261 408 S C 1.476 176.126 174.600 0.085 0.000 1.366 408 S CA -0.288 57.941 58.200 0.049 0.000 0.996 408 S CB 0.832 64.033 63.200 0.002 0.000 0.902 408 S HN 0.456 nan 8.310 nan 0.000 0.566 409 T N 1.543 116.128 114.554 0.053 0.000 2.788 409 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 409 T C 1.592 176.327 174.700 0.058 0.000 1.044 409 T CA 1.922 64.057 62.100 0.057 0.000 1.139 409 T CB -0.552 68.336 68.868 0.033 0.000 0.867 409 T HN 0.745 nan 8.240 nan 0.000 0.454 410 E N 1.467 121.693 120.200 0.044 0.000 2.085 410 E HA -0.032 4.317 4.350 -0.000 0.000 0.194 410 E C 2.388 179.017 176.600 0.049 0.000 0.994 410 E CA 1.231 57.655 56.400 0.040 0.000 0.801 410 E CB -0.457 29.259 29.700 0.027 0.000 0.743 410 E HN 0.498 nan 8.360 nan 0.000 0.453 411 A N 0.495 123.348 122.820 0.056 0.000 1.930 411 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 411 A C 2.233 179.909 177.584 0.153 0.000 1.175 411 A CA 1.106 53.186 52.037 0.072 0.000 0.627 411 A CB -0.587 18.424 19.000 0.017 0.000 0.815 411 A HN 0.186 nan 8.150 nan 0.000 0.443 412 I N -0.381 120.298 120.570 0.181 0.000 2.179 412 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 412 I C 2.294 178.468 176.117 0.095 0.000 1.088 412 I CA 1.311 62.708 61.300 0.161 0.000 1.357 412 I CB -0.338 37.733 38.000 0.118 0.000 1.051 412 I HN 0.293 nan 8.210 nan 0.000 0.409 413 I N 0.907 121.521 120.570 0.073 0.000 2.208 413 I HA -0.337 3.832 4.170 -0.000 0.000 0.245 413 I C 2.373 178.520 176.117 0.050 0.000 1.097 413 I CA 1.770 63.101 61.300 0.052 0.000 1.363 413 I CB -0.535 37.491 38.000 0.043 0.000 1.051 413 I HN 0.339 nan 8.210 nan 0.000 0.413 414 N N 1.216 119.949 118.700 0.054 0.000 2.104 414 N HA -0.188 4.551 4.740 -0.000 0.000 0.190 414 N C 1.820 177.363 175.510 0.055 0.000 1.024 414 N CA 1.822 54.900 53.050 0.046 0.000 0.853 414 N CB -0.131 38.380 38.487 0.041 0.000 1.008 414 N HN 0.324 nan 8.380 nan 0.000 0.424 415 A N 0.505 123.373 122.820 0.081 0.000 1.883 415 A HA -0.078 4.241 4.320 -0.000 0.000 0.217 415 A C 2.326 179.945 177.584 0.058 0.000 1.186 415 A CA 1.253 53.342 52.037 0.087 0.000 0.624 415 A CB -0.924 18.159 19.000 0.137 0.000 0.822 415 A HN 0.393 nan 8.150 nan 0.000 0.444 416 L N 0.507 121.760 121.223 0.050 0.000 2.201 416 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 416 L C 2.876 179.763 176.870 0.029 0.000 1.105 416 L CA 1.318 56.178 54.840 0.034 0.000 0.775 416 L CB -0.363 41.714 42.059 0.029 0.000 0.913 416 L HN 0.621 nan 8.230 nan 0.000 0.440 417 S N -0.811 114.908 115.700 0.031 0.000 2.469 417 S HA -0.129 4.341 4.470 -0.000 0.000 0.238 417 S C 1.861 176.475 174.600 0.023 0.000 0.998 417 S CA 0.545 58.760 58.200 0.025 0.000 0.957 417 S CB -0.187 63.028 63.200 0.024 0.000 0.764 417 S HN 0.258 nan 8.310 nan 0.000 0.514 418 K N 1.269 121.685 120.400 0.027 0.000 2.362 418 K HA 0.203 4.523 4.320 -0.000 0.000 0.200 418 K C 1.696 178.308 176.600 0.020 0.000 1.046 418 K CA 0.640 56.941 56.287 0.024 0.000 0.952 418 K CB -0.542 31.975 32.500 0.028 0.000 0.753 418 K HN 0.494 nan 8.250 nan 0.000 0.466 419 L N -0.315 120.920 121.223 0.020 0.000 2.463 419 L HA 0.113 4.453 4.340 -0.000 0.000 0.219 419 L C 0.535 177.413 176.870 0.014 0.000 1.088 419 L CA 0.030 54.880 54.840 0.016 0.000 0.849 419 L CB 0.182 42.250 42.059 0.016 0.000 1.012 419 L HN 0.044 nan 8.230 nan 0.000 0.468 420 N N -0.260 118.449 118.700 0.015 0.000 2.747 420 N HA 0.226 4.965 4.740 -0.000 0.000 0.262 420 N C 0.209 175.727 175.510 0.014 0.000 1.261 420 N CA 0.289 53.346 53.050 0.013 0.000 0.809 420 N CB 1.624 40.119 38.487 0.013 0.000 1.450 420 N HN -0.009 nan 8.380 nan 0.000 0.560 421 A N 2.810 125.637 122.820 0.013 0.000 1.933 421 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 421 A C 1.317 178.908 177.584 0.012 0.000 1.175 421 A CA 1.174 53.219 52.037 0.013 0.000 0.628 421 A CB -0.041 18.965 19.000 0.011 0.000 0.814 421 A HN 0.674 nan 8.150 nan 0.000 0.444 422 N N -0.570 118.136 118.700 0.010 0.000 2.236 422 N HA 0.048 4.788 4.740 -0.000 0.000 0.196 422 N C -0.688 174.828 175.510 0.010 0.000 1.114 422 N CA 0.359 53.415 53.050 0.009 0.000 0.859 422 N CB 0.676 39.168 38.487 0.008 0.000 0.982 422 N HN 0.374 nan 8.380 nan 0.000 0.493 423 D N -0.044 120.363 120.400 0.011 0.000 2.846 423 D HA 0.195 4.835 4.640 -0.000 0.000 0.279 423 D C -2.021 174.288 176.300 0.014 0.000 1.222 423 D CA -1.556 52.451 54.000 0.012 0.000 0.769 423 D CB 1.084 41.890 40.800 0.010 0.000 1.299 423 D HN -0.086 nan 8.370 nan 0.000 0.537 424 P HA -0.051 nan 4.420 nan 0.000 0.218 424 P C 1.753 179.064 177.300 0.019 0.000 1.149 424 P CA 0.575 63.686 63.100 0.019 0.000 0.817 424 P CB 0.477 32.191 31.700 0.023 0.000 0.785 425 L N -0.525 120.709 121.223 0.018 0.000 2.291 425 L HA -0.047 4.293 4.340 -0.000 0.000 0.214 425 L C 2.648 179.526 176.870 0.014 0.000 1.120 425 L CA 1.022 55.872 54.840 0.017 0.000 0.799 425 L CB -0.702 41.367 42.059 0.017 0.000 0.925 425 L HN -0.011 nan 8.230 nan 0.000 0.446 426 K N 0.861 121.269 120.400 0.013 0.000 2.063 426 K HA -0.153 4.166 4.320 -0.000 0.000 0.208 426 K C -0.576 176.031 176.600 0.012 0.000 1.048 426 K CA 1.357 57.651 56.287 0.012 0.000 0.928 426 K CB -0.674 31.833 32.500 0.011 0.000 0.713 426 K HN 0.157 nan 8.250 nan 0.000 0.442 427 P HA -0.170 nan 4.420 nan 0.000 0.216 427 P C 1.382 178.688 177.300 0.011 0.000 1.150 427 P CA 0.863 63.970 63.100 0.012 0.000 0.837 427 P CB -0.042 31.666 31.700 0.012 0.000 0.786 428 L N -0.385 120.844 121.223 0.011 0.000 2.017 428 L HA -0.107 4.232 4.340 -0.000 0.000 0.208 428 L C 2.321 179.197 176.870 0.011 0.000 1.073 428 L CA 1.752 56.597 54.840 0.009 0.000 0.745 428 L CB -1.365 40.699 42.059 0.008 0.000 0.894 428 L HN -0.164 nan 8.230 nan 0.000 0.432 429 I N -0.383 120.195 120.570 0.012 0.000 2.286 429 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 429 I C 2.019 178.144 176.117 0.015 0.000 1.115 429 I CA 1.155 62.463 61.300 0.014 0.000 1.392 429 I CB -0.609 37.399 38.000 0.014 0.000 1.065 429 I HN 0.270 nan 8.210 nan 0.000 0.418 430 D N 0.961 121.369 120.400 0.014 0.000 2.123 430 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 430 D C 1.855 178.164 176.300 0.015 0.000 0.992 430 D CA 1.217 55.225 54.000 0.014 0.000 0.833 430 D CB -0.410 40.397 40.800 0.012 0.000 0.954 430 D HN 0.357 nan 8.370 nan 0.000 0.455 431 N N 0.109 118.817 118.700 0.014 0.000 2.409 431 N HA -0.053 4.687 4.740 -0.000 0.000 0.179 431 N C 1.919 177.440 175.510 0.019 0.000 1.032 431 N CA 0.148 53.207 53.050 0.015 0.000 0.898 431 N CB 0.437 38.931 38.487 0.012 0.000 0.971 431 N HN 0.073 nan 8.380 nan 0.000 0.441 432 V N 0.874 120.800 119.914 0.019 0.000 2.358 432 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 432 V C 2.434 178.547 176.094 0.032 0.000 1.047 432 V CA 1.148 63.463 62.300 0.025 0.000 1.035 432 V CB -0.376 31.459 31.823 0.021 0.000 0.658 432 V HN 0.030 nan 8.190 nan 0.000 0.452 433 V N 2.109 122.040 119.914 0.028 0.000 2.358 433 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 433 V C 2.159 178.271 176.094 0.030 0.000 1.047 433 V CA 2.142 64.460 62.300 0.031 0.000 1.035 433 V CB -0.928 30.909 31.823 0.024 0.000 0.658 433 V HN 0.898 nan 8.190 nan 0.000 0.452 434 N N 0.472 119.186 118.700 0.024 0.000 2.461 434 N HA 0.142 4.882 4.740 -0.000 0.000 0.188 434 N C 1.313 176.837 175.510 0.023 0.000 1.134 434 N CA 1.102 54.164 53.050 0.020 0.000 0.878 434 N CB 0.398 38.894 38.487 0.014 0.000 0.972 434 N HN 0.467 nan 8.380 nan 0.000 0.456 435 G N 0.020 108.839 108.800 0.031 0.000 2.195 435 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.246 435 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.246 435 G C 0.806 175.725 174.900 0.032 0.000 0.984 435 G CA 0.274 45.397 45.100 0.038 0.000 0.633 435 G HN 0.511 nan 8.290 nan 0.000 0.525 436 N N -0.352 118.363 118.700 0.024 0.000 2.289 436 N HA 0.070 4.810 4.740 -0.000 0.000 0.184 436 N C 0.257 175.780 175.510 0.022 0.000 1.016 436 N CA 0.796 53.859 53.050 0.021 0.000 0.872 436 N CB 0.105 38.601 38.487 0.015 0.000 0.973 436 N HN 0.340 nan 8.380 nan 0.000 0.433 437 I N 0.607 121.191 120.570 0.023 0.000 2.411 437 I HA 0.146 4.315 4.170 -0.000 0.000 0.284 437 I C 0.983 177.118 176.117 0.030 0.000 1.012 437 I CA -0.217 61.096 61.300 0.022 0.000 1.119 437 I CB 1.671 39.679 38.000 0.014 0.000 1.261 437 I HN 0.023 nan 8.210 nan 0.000 0.448 438 R N 4.294 124.815 120.500 0.035 0.000 2.073 438 R HA 0.143 4.482 4.340 -0.000 0.000 0.229 438 R C 0.798 177.117 176.300 0.031 0.000 1.120 438 R CA 1.285 57.413 56.100 0.047 0.000 0.967 438 R CB 0.448 30.781 30.300 0.055 0.000 0.862 438 R HN 0.854 nan 8.270 nan 0.000 0.436 439 G N -1.426 107.382 108.800 0.013 0.000 2.428 439 G HA2 0.367 4.326 3.960 -0.000 0.000 0.305 439 G HA3 0.367 4.326 3.960 -0.000 0.000 0.305 439 G C -1.877 173.014 174.900 -0.016 0.000 1.260 439 G CA -0.605 44.492 45.100 -0.005 0.000 0.853 439 G HN -0.003 nan 8.290 nan 0.000 0.480 440 V N -0.553 119.340 119.914 -0.034 0.000 2.656 440 V HA 0.640 4.760 4.120 -0.000 0.000 0.307 440 V C -0.642 175.398 176.094 -0.091 0.000 1.051 440 V CA -0.709 61.563 62.300 -0.047 0.000 0.893 440 V CB 1.431 33.233 31.823 -0.034 0.000 0.999 440 V HN 1.045 nan 8.190 nan 0.000 0.426 441 C N 6.376 125.600 119.300 -0.128 0.000 2.396 441 C HA 0.752 5.212 4.460 -0.000 0.000 0.321 441 C C -0.638 174.183 174.990 -0.282 0.000 1.233 441 C CA -0.654 58.211 59.018 -0.255 0.000 1.440 441 C CB 0.621 28.136 27.740 -0.374 0.000 2.110 441 C HN 0.879 nan 8.230 nan 0.000 0.473 442 L N 6.582 127.647 121.223 -0.263 0.000 2.257 442 L HA 0.631 4.970 4.340 -0.000 0.000 0.290 442 L C -0.997 175.721 176.870 -0.255 0.000 1.044 442 L CA 0.257 54.993 54.840 -0.173 0.000 0.810 442 L CB 0.121 42.132 42.059 -0.080 0.000 1.193 442 L HN 0.600 nan 8.230 nan 0.000 0.425 443 F N 4.760 124.729 119.950 0.032 0.000 2.404 443 F HA 0.730 5.257 4.527 -0.001 0.000 0.345 443 F C 0.685 176.518 175.800 0.056 0.000 1.110 443 F CA 0.232 58.292 58.000 0.100 0.000 1.130 443 F CB 1.332 40.391 39.000 0.099 0.000 1.129 443 F HN 0.716 nan 8.300 nan 0.000 0.500 444 A N 1.868 124.887 122.820 0.332 0.000 2.569 444 A HA 0.897 5.216 4.320 -0.000 0.000 0.290 444 A C -0.019 177.722 177.584 0.262 0.000 1.136 444 A CA -0.227 51.916 52.037 0.178 0.000 0.710 444 A CB 1.083 20.119 19.000 0.060 0.000 1.303 444 A HN 1.566 nan 8.150 nan 0.000 0.413 445 G N -1.445 107.456 108.800 0.168 0.000 2.681 445 G HA2 0.080 4.040 3.960 -0.000 0.000 0.220 445 G HA3 0.080 4.040 3.960 -0.000 0.000 0.220 445 G C 0.223 175.271 174.900 0.247 0.000 1.353 445 G CA -0.379 44.835 45.100 0.189 0.000 0.872 445 G HN 1.850 nan 8.290 nan 0.000 0.557 446 C N 0.368 119.808 119.300 0.233 0.000 2.411 446 C HA 0.697 5.157 4.460 -0.000 0.000 0.358 446 C C 0.867 176.029 174.990 0.287 0.000 1.349 446 C CA -0.933 58.209 59.018 0.206 0.000 2.326 446 C CB 0.656 28.484 27.740 0.146 0.000 2.166 446 C HN 0.801 nan 8.230 nan 0.000 0.609 447 N N 2.002 120.828 118.700 0.211 0.000 2.458 447 N HA 0.337 5.076 4.740 -0.000 0.000 0.271 447 N C -0.799 174.741 175.510 0.050 0.000 1.210 447 N CA -0.059 53.091 53.050 0.167 0.000 0.978 447 N CB 0.662 39.248 38.487 0.164 0.000 1.206 447 N HN 0.704 nan 8.380 nan 0.000 0.536 448 N N 0.080 118.775 118.700 -0.008 0.000 2.336 448 N HA 0.066 4.805 4.740 -0.000 0.000 0.290 448 N C 0.210 175.622 175.510 -0.164 0.000 1.058 448 N CA -0.401 52.589 53.050 -0.100 0.000 0.865 448 N CB 1.802 40.230 38.487 -0.097 0.000 1.581 448 N HN 0.172 nan 8.380 nan 0.000 0.480 449 V N 4.312 124.032 119.914 -0.323 0.000 2.828 449 V HA -0.149 3.971 4.120 -0.000 0.000 0.260 449 V C 1.848 177.661 176.094 -0.467 0.000 1.101 449 V CA 1.864 63.884 62.300 -0.467 0.000 1.123 449 V CB -0.281 31.119 31.823 -0.705 0.000 0.704 449 V HN 0.626 nan 8.190 nan 0.000 0.493 450 K N -0.740 119.382 120.400 -0.463 0.000 2.288 450 K HA 0.044 4.364 4.320 -0.000 0.000 0.201 450 K C 0.433 177.021 176.600 -0.021 0.000 1.048 450 K CA 0.409 56.528 56.287 -0.279 0.000 0.956 450 K CB 0.192 32.591 32.500 -0.170 0.000 0.746 450 K HN 0.374 nan 8.250 nan 0.000 0.461 451 V N 2.721 122.626 119.914 -0.014 0.000 2.459 451 V HA 0.195 4.315 4.120 -0.000 0.000 0.295 451 V C -2.464 173.695 176.094 0.109 0.000 1.029 451 V CA -2.533 59.787 62.300 0.034 0.000 0.874 451 V CB 1.481 33.292 31.823 -0.020 0.000 0.985 451 V HN -0.049 nan 8.190 nan 0.000 0.438 452 P HA -0.014 nan 4.420 nan 0.000 0.261 452 P C -0.271 177.115 177.300 0.144 0.000 1.183 452 P CA 0.226 63.412 63.100 0.143 0.000 0.761 452 P CB 0.240 31.985 31.700 0.075 0.000 0.785 453 Q N 3.718 123.658 119.800 0.232 0.000 2.247 453 Q HA -0.104 4.235 4.340 -0.000 0.000 0.288 453 Q C -0.005 176.104 176.000 0.180 0.000 1.079 453 Q CA 0.664 56.619 55.803 0.252 0.000 0.932 453 Q CB -0.131 28.831 28.738 0.374 0.000 1.133 453 Q HN 0.480 nan 8.270 nan 0.000 0.377 454 D N 1.769 122.273 120.400 0.173 0.000 2.748 454 D HA -0.268 4.371 4.640 -0.000 0.000 0.189 454 D C 0.855 177.143 176.300 -0.019 0.000 0.982 454 D CA 1.430 55.516 54.000 0.144 0.000 1.017 454 D CB -0.802 40.050 40.800 0.088 0.000 1.076 454 D HN 0.824 nan 8.370 nan 0.000 0.446 455 Q N 0.430 120.212 119.800 -0.029 0.000 2.124 455 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 455 Q C 1.670 177.608 176.000 -0.102 0.000 0.977 455 Q CA 1.853 57.612 55.803 -0.072 0.000 0.850 455 Q CB 0.092 28.813 28.738 -0.028 0.000 0.901 455 Q HN 0.300 nan 8.270 nan 0.000 0.429 456 N N -0.294 118.323 118.700 -0.140 0.000 2.135 456 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 456 N C 1.449 176.800 175.510 -0.264 0.000 1.027 456 N CA 1.112 54.047 53.050 -0.191 0.000 0.849 456 N CB -0.488 37.858 38.487 -0.236 0.000 1.002 456 N HN 0.244 nan 8.380 nan 0.000 0.425 457 F N 1.265 121.055 119.950 -0.267 0.000 2.095 457 F HA -0.219 4.308 4.527 -0.001 0.000 0.298 457 F C 2.680 178.065 175.800 -0.693 0.000 1.104 457 F CA 1.624 59.276 58.000 -0.581 0.000 1.232 457 F CB -0.705 37.958 39.000 -0.562 0.000 0.987 457 F HN 0.167 nan 8.300 nan 0.000 0.475 458 T N -4.091 110.272 114.554 -0.318 0.000 2.896 458 T HA -0.102 4.248 4.350 -0.000 0.000 0.263 458 T C 1.816 176.421 174.700 -0.158 0.000 1.050 458 T CA 1.558 63.426 62.100 -0.386 0.000 1.140 458 T CB -0.844 67.873 68.868 -0.253 0.000 0.877 458 T HN 0.134 nan 8.240 nan 0.000 0.457 459 T N 2.209 116.696 114.554 -0.112 0.000 2.777 459 T HA 0.140 4.490 4.350 -0.000 0.000 0.266 459 T C 1.907 176.597 174.700 -0.016 0.000 1.040 459 T CA 1.269 63.347 62.100 -0.037 0.000 1.141 459 T CB -0.413 68.432 68.868 -0.038 0.000 0.868 459 T HN 0.393 nan 8.240 nan 0.000 0.444 460 I N 1.307 121.852 120.570 -0.041 0.000 2.202 460 I HA -0.128 4.041 4.170 -0.000 0.000 0.242 460 I C 2.938 179.144 176.117 0.148 0.000 1.091 460 I CA 1.055 62.396 61.300 0.069 0.000 1.368 460 I CB -0.497 37.605 38.000 0.169 0.000 1.058 460 I HN 0.172 nan 8.210 nan 0.000 0.410 461 A N 0.911 123.724 122.820 -0.012 0.000 1.902 461 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 461 A C 2.406 180.099 177.584 0.182 0.000 1.181 461 A CA 1.489 53.571 52.037 0.074 0.000 0.623 461 A CB -0.578 18.178 19.000 -0.408 0.000 0.818 461 A HN 0.307 nan 8.150 nan 0.000 0.443 462 R N -0.713 119.897 120.500 0.183 0.000 2.081 462 R HA -0.159 4.180 4.340 -0.000 0.000 0.235 462 R C 2.331 178.716 176.300 0.142 0.000 1.131 462 R CA 1.765 58.001 56.100 0.227 0.000 0.960 462 R CB -0.233 30.181 30.300 0.191 0.000 0.856 462 R HN 0.496 nan 8.270 nan 0.000 0.436 463 K N 1.093 121.557 120.400 0.107 0.000 2.057 463 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 463 K C 1.898 178.551 176.600 0.088 0.000 1.050 463 K CA 1.189 57.525 56.287 0.080 0.000 0.935 463 K CB -0.149 32.385 32.500 0.057 0.000 0.715 463 K HN 0.087 nan 8.250 nan 0.000 0.439 464 L N 0.262 121.553 121.223 0.113 0.000 2.093 464 L HA -0.127 4.212 4.340 -0.000 0.000 0.208 464 L C 2.295 179.226 176.870 0.101 0.000 1.085 464 L CA 0.967 55.867 54.840 0.101 0.000 0.755 464 L CB -0.445 41.688 42.059 0.123 0.000 0.904 464 L HN 0.182 nan 8.230 nan 0.000 0.435 465 L N -0.419 120.885 121.223 0.134 0.000 2.093 465 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 465 L C 2.679 179.598 176.870 0.082 0.000 1.085 465 L CA 0.989 55.900 54.840 0.117 0.000 0.755 465 L CB -0.472 41.682 42.059 0.159 0.000 0.904 465 L HN 0.181 nan 8.230 nan 0.000 0.435 466 K N -0.091 120.356 120.400 0.078 0.000 2.209 466 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 466 K C 1.623 178.254 176.600 0.051 0.000 1.048 466 K CA 0.939 57.260 56.287 0.056 0.000 0.940 466 K CB -0.064 32.467 32.500 0.052 0.000 0.729 466 K HN 0.351 nan 8.250 nan 0.000 0.451 467 Q N 0.725 120.560 119.800 0.057 0.000 2.247 467 Q HA 0.066 4.406 4.340 -0.000 0.000 0.205 467 Q C -0.432 175.600 176.000 0.053 0.000 0.896 467 Q CA -0.097 55.739 55.803 0.055 0.000 0.950 467 Q CB 0.171 28.944 28.738 0.059 0.000 1.054 467 Q HN 0.222 nan 8.270 nan 0.000 0.482 468 N N -0.610 118.119 118.700 0.049 0.000 2.776 468 N HA -0.138 4.601 4.740 -0.000 0.000 0.250 468 N C -0.629 174.904 175.510 0.038 0.000 1.112 468 N CA 0.411 53.486 53.050 0.041 0.000 0.733 468 N CB -1.748 36.761 38.487 0.037 0.000 1.097 468 N HN 0.043 nan 8.380 nan 0.000 0.558 469 V N 1.320 121.260 119.914 0.043 0.000 2.530 469 V HA 0.189 4.308 4.120 -0.000 0.000 0.282 469 V C 0.938 177.051 176.094 0.031 0.000 1.048 469 V CA -0.686 61.632 62.300 0.030 0.000 0.997 469 V CB 1.468 33.306 31.823 0.025 0.000 0.987 469 V HN 0.218 nan 8.190 nan 0.000 0.477 470 L N 7.244 128.475 121.223 0.013 0.000 2.369 470 L HA 0.336 4.676 4.340 -0.000 0.000 0.279 470 L C -0.164 176.710 176.870 0.006 0.000 1.108 470 L CA 0.738 55.581 54.840 0.006 0.000 0.852 470 L CB 0.839 42.892 42.059 -0.010 0.000 1.169 470 L HN 0.450 nan 8.230 nan 0.000 0.452 471 V N 6.438 126.375 119.914 0.037 0.000 2.398 471 V HA 0.573 4.692 4.120 -0.000 0.000 0.286 471 V C -0.078 176.052 176.094 0.061 0.000 1.026 471 V CA -0.437 61.906 62.300 0.073 0.000 0.868 471 V CB 1.583 33.523 31.823 0.194 0.000 0.982 471 V HN 0.673 nan 8.190 nan 0.000 0.443 472 V N 2.076 122.018 119.914 0.047 0.000 2.960 472 V HA 1.097 5.217 4.120 -0.000 0.000 0.315 472 V C -0.214 175.935 176.094 0.091 0.000 1.087 472 V CA -0.719 61.615 62.300 0.056 0.000 0.982 472 V CB 1.817 33.662 31.823 0.036 0.000 1.039 472 V HN 1.218 nan 8.190 nan 0.000 0.437 473 A N 1.907 124.775 122.820 0.081 0.000 2.594 473 A HA 0.992 5.312 4.320 -0.000 0.000 0.295 473 A C -0.319 177.270 177.584 0.008 0.000 1.071 473 A CA -0.019 52.041 52.037 0.039 0.000 0.685 473 A CB 1.865 20.829 19.000 -0.059 0.000 1.285 473 A HN 2.007 nan 8.150 nan 0.000 0.405 474 T N -1.635 112.910 114.554 -0.014 0.000 2.865 474 T HA 0.849 5.199 4.350 -0.000 0.000 0.294 474 T C 0.822 175.497 174.700 -0.042 0.000 1.119 474 T CA 0.391 62.509 62.100 0.030 0.000 1.007 474 T CB 0.950 69.873 68.868 0.092 0.000 1.225 474 T HN 2.684 nan 8.240 nan 0.000 0.515 475 G N -0.152 108.671 108.800 0.038 0.000 2.582 475 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.288 475 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.288 475 G C 1.071 175.908 174.900 -0.106 0.000 1.247 475 G CA 0.247 45.365 45.100 0.031 0.000 0.972 475 G HN 1.386 nan 8.290 nan 0.000 0.557 476 C N 1.587 120.835 119.300 -0.086 0.000 2.562 476 C HA 0.376 4.835 4.460 -0.000 0.000 0.266 476 C C 2.893 177.578 174.990 -0.509 0.000 1.382 476 C CA 0.967 59.854 59.018 -0.217 0.000 1.742 476 C CB -1.320 26.424 27.740 0.006 0.000 1.812 476 C HN 1.058 nan 8.230 nan 0.000 0.559 477 G N 0.954 109.396 108.800 -0.596 0.000 2.394 477 G HA2 0.006 3.965 3.960 -0.000 0.000 0.214 477 G HA3 0.006 3.965 3.960 -0.000 0.000 0.214 477 G C 1.877 176.250 174.900 -0.879 0.000 1.176 477 G CA 0.897 45.220 45.100 -1.295 0.000 0.786 477 G HN 0.546 nan 8.290 nan 0.000 0.533 478 A N 0.984 123.460 122.820 -0.572 0.000 1.908 478 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 478 A C 2.687 179.891 177.584 -0.634 0.000 1.181 478 A CA 2.185 53.837 52.037 -0.642 0.000 0.627 478 A CB -1.105 17.311 19.000 -0.975 0.000 0.818 478 A HN 0.530 nan 8.150 nan 0.000 0.445 479 G N -0.511 107.843 108.800 -0.743 0.000 2.446 479 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.217 479 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.217 479 G C 1.780 176.297 174.900 -0.638 0.000 1.168 479 G CA 1.602 45.989 45.100 -1.188 0.000 0.771 479 G HN 0.823 nan 8.290 nan 0.000 0.551 480 A N 0.577 123.072 122.820 -0.541 0.000 1.877 480 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 480 A C 2.464 179.964 177.584 -0.139 0.000 1.186 480 A CA 1.446 53.329 52.037 -0.257 0.000 0.620 480 A CB -0.472 18.289 19.000 -0.398 0.000 0.822 480 A HN 0.355 nan 8.150 nan 0.000 0.443 481 L N -0.437 120.569 121.223 -0.363 0.000 2.093 481 L HA -0.192 4.147 4.340 -0.000 0.000 0.208 481 L C 2.927 179.831 176.870 0.057 0.000 1.085 481 L CA 1.615 56.303 54.840 -0.253 0.000 0.755 481 L CB -0.608 41.188 42.059 -0.437 0.000 0.904 481 L HN 0.714 nan 8.230 nan 0.000 0.435 482 M N -0.707 118.862 119.600 -0.051 0.000 2.117 482 M HA -0.184 4.295 4.480 -0.000 0.000 0.262 482 M C 2.124 178.465 176.300 0.069 0.000 1.065 482 M CA 1.762 57.088 55.300 0.044 0.000 1.114 482 M CB -0.519 32.096 32.600 0.025 0.000 1.361 482 M HN 0.002 nan 8.290 nan 0.000 0.408 483 R N -0.495 120.019 120.500 0.024 0.000 2.316 483 R HA 0.016 4.356 4.340 -0.000 0.000 0.202 483 R C 0.821 176.988 176.300 -0.221 0.000 1.029 483 R CA 0.616 56.676 56.100 -0.067 0.000 1.018 483 R CB -0.204 30.047 30.300 -0.082 0.000 0.888 483 R HN 0.639 nan 8.270 nan 0.000 0.471 484 H N -1.262 117.899 119.070 0.151 0.000 2.528 484 H HA 0.183 4.739 4.556 -0.001 0.000 0.282 484 H C 0.950 176.389 175.328 0.185 0.000 1.097 484 H CA 0.613 56.787 56.048 0.210 0.000 1.121 484 H CB 1.363 31.325 29.762 0.333 0.000 1.590 484 H HN 0.414 nan 8.280 nan 0.000 0.553 485 G N 0.922 109.836 108.800 0.191 0.000 2.157 485 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.239 485 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.239 485 G C 0.552 175.454 174.900 0.003 0.000 0.982 485 G CA -0.004 45.122 45.100 0.044 0.000 0.650 485 G HN 0.331 nan 8.290 nan 0.000 0.527 486 F N -0.169 119.800 119.950 0.032 0.000 2.802 486 F HA 0.443 4.970 4.527 -0.000 0.000 0.300 486 F C 2.235 178.051 175.800 0.026 0.000 1.168 486 F CA 1.000 59.012 58.000 0.020 0.000 1.433 486 F CB 0.195 39.192 39.000 -0.004 0.000 1.115 486 F HN 0.198 nan 8.300 nan 0.000 0.582 487 M N -0.848 118.863 119.600 0.185 0.000 2.475 487 M HA 0.128 4.607 4.480 -0.000 0.000 0.283 487 M C -0.423 175.947 176.300 0.117 0.000 1.165 487 M CA 0.068 55.462 55.300 0.157 0.000 0.976 487 M CB 0.096 32.802 32.600 0.176 0.000 1.428 487 M HN -0.247 nan 8.290 nan 0.000 0.495 488 D N 0.106 120.548 120.400 0.070 0.000 2.349 488 D HA 0.305 4.945 4.640 -0.000 0.000 0.232 488 D C -2.053 174.263 176.300 0.028 0.000 1.071 488 D CA -2.167 51.860 54.000 0.045 0.000 0.832 488 D CB 2.101 42.912 40.800 0.018 0.000 1.086 488 D HN -0.078 nan 8.370 nan 0.000 0.504 489 P HA -0.035 nan 4.420 nan 0.000 0.225 489 P C 0.893 178.199 177.300 0.009 0.000 1.148 489 P CA 0.666 63.784 63.100 0.030 0.000 0.779 489 P CB 0.170 31.897 31.700 0.045 0.000 0.780 490 A N -0.309 122.513 122.820 0.003 0.000 2.121 490 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 490 A C 1.689 179.258 177.584 -0.026 0.000 1.154 490 A CA 1.335 53.367 52.037 -0.008 0.000 0.679 490 A CB -1.419 17.577 19.000 -0.007 0.000 0.795 490 A HN 0.288 nan 8.150 nan 0.000 0.458 491 N N -0.834 117.841 118.700 -0.042 0.000 2.270 491 N HA 0.153 4.893 4.740 -0.000 0.000 0.198 491 N C 0.969 176.436 175.510 -0.072 0.000 1.117 491 N CA 0.050 53.053 53.050 -0.079 0.000 0.845 491 N CB 0.533 38.932 38.487 -0.147 0.000 0.980 491 N HN 0.194 nan 8.380 nan 0.000 0.486 492 V N 1.322 121.214 119.914 -0.037 0.000 2.343 492 V HA -0.250 3.869 4.120 -0.000 0.000 0.247 492 V C 1.656 177.737 176.094 -0.021 0.000 1.051 492 V CA 1.723 64.010 62.300 -0.022 0.000 1.036 492 V CB -0.275 31.544 31.823 -0.006 0.000 0.654 492 V HN 0.370 nan 8.190 nan 0.000 0.451 493 D N -0.410 119.978 120.400 -0.020 0.000 2.117 493 D HA -0.214 4.426 4.640 -0.000 0.000 0.197 493 D C 2.134 178.421 176.300 -0.021 0.000 0.987 493 D CA 1.559 55.550 54.000 -0.016 0.000 0.829 493 D CB -0.145 40.647 40.800 -0.014 0.000 0.961 493 D HN 0.618 nan 8.370 nan 0.000 0.460 494 E N 0.331 120.508 120.200 -0.037 0.000 2.072 494 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 494 E C 2.164 178.737 176.600 -0.044 0.000 0.985 494 E CA 0.558 56.931 56.400 -0.044 0.000 0.801 494 E CB 0.070 29.729 29.700 -0.068 0.000 0.750 494 E HN 0.233 nan 8.360 nan 0.000 0.452 495 L N 0.099 121.286 121.223 -0.059 0.000 2.354 495 L HA 0.134 4.474 4.340 -0.000 0.000 0.212 495 L C 0.719 177.595 176.870 0.010 0.000 1.091 495 L CA -0.239 54.573 54.840 -0.047 0.000 0.828 495 L CB 0.662 42.654 42.059 -0.112 0.000 0.973 495 L HN 0.160 nan 8.230 nan 0.000 0.461 496 C N 0.467 119.772 119.300 0.008 0.000 2.358 496 C HA 0.613 5.072 4.460 -0.000 0.000 0.342 496 C C 1.162 176.166 174.990 0.023 0.000 1.234 496 C CA -1.397 57.637 59.018 0.026 0.000 1.969 496 C CB 0.669 28.421 27.740 0.020 0.000 2.346 496 C HN 0.435 nan 8.230 nan 0.000 0.525 497 G N 1.685 110.503 108.800 0.031 0.000 2.664 497 G HA2 0.137 4.097 3.960 -0.000 0.000 0.242 497 G HA3 0.137 4.097 3.960 -0.000 0.000 0.242 497 G C 0.468 175.380 174.900 0.019 0.000 1.225 497 G CA 0.002 45.117 45.100 0.026 0.000 0.849 497 G HN 0.822 nan 8.290 nan 0.000 0.581 498 D N 0.943 121.352 120.400 0.016 0.000 2.149 498 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 498 D C 2.556 178.864 176.300 0.012 0.000 0.990 498 D CA 1.628 55.635 54.000 0.012 0.000 0.839 498 D CB -0.500 40.305 40.800 0.010 0.000 0.948 498 D HN 0.467 nan 8.370 nan 0.000 0.460 499 G N 0.832 109.641 108.800 0.015 0.000 2.421 499 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 499 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 499 G C 1.597 176.506 174.900 0.015 0.000 1.171 499 G CA 0.642 45.751 45.100 0.015 0.000 0.775 499 G HN 0.263 nan 8.290 nan 0.000 0.543 500 L N 0.901 122.134 121.223 0.018 0.000 2.046 500 L HA 0.072 4.412 4.340 -0.000 0.000 0.208 500 L C 2.651 179.527 176.870 0.010 0.000 1.077 500 L CA 2.548 57.398 54.840 0.015 0.000 0.747 500 L CB -0.579 41.494 42.059 0.023 0.000 0.896 500 L HN 0.286 nan 8.230 nan 0.000 0.432 501 K N -0.539 119.868 120.400 0.011 0.000 2.063 501 K HA -0.198 4.121 4.320 -0.000 0.000 0.208 501 K C 2.001 178.605 176.600 0.006 0.000 1.048 501 K CA 1.510 57.801 56.287 0.007 0.000 0.928 501 K CB -0.314 32.190 32.500 0.007 0.000 0.713 501 K HN 0.453 nan 8.250 nan 0.000 0.442 502 A N 0.530 123.354 122.820 0.007 0.000 1.908 502 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 502 A C 2.239 179.827 177.584 0.006 0.000 1.181 502 A CA 1.804 53.845 52.037 0.007 0.000 0.627 502 A CB -0.613 18.392 19.000 0.008 0.000 0.818 502 A HN 0.194 nan 8.150 nan 0.000 0.445 503 V N 0.016 119.933 119.914 0.005 0.000 2.323 503 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 503 V C 2.530 178.623 176.094 -0.002 0.000 1.041 503 V CA 1.767 64.069 62.300 0.002 0.000 1.025 503 V CB -0.737 31.087 31.823 0.001 0.000 0.656 503 V HN 0.564 nan 8.190 nan 0.000 0.451 504 L N -0.226 120.993 121.223 -0.006 0.000 2.131 504 L HA -0.170 4.169 4.340 -0.000 0.000 0.210 504 L C 2.560 179.430 176.870 0.000 0.000 1.092 504 L CA 1.780 56.612 54.840 -0.013 0.000 0.759 504 L CB -0.974 41.075 42.059 -0.016 0.000 0.903 504 L HN 0.369 nan 8.230 nan 0.000 0.435 505 T N -0.214 114.343 114.554 0.005 0.000 2.812 505 T HA -0.078 4.272 4.350 -0.000 0.000 0.264 505 T C 2.071 176.778 174.700 0.012 0.000 1.042 505 T CA 1.177 63.283 62.100 0.010 0.000 1.140 505 T CB -0.151 68.722 68.868 0.009 0.000 0.870 505 T HN 0.425 nan 8.240 nan 0.000 0.445 506 A N 1.284 124.110 122.820 0.010 0.000 1.902 506 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 506 A C 2.264 179.858 177.584 0.015 0.000 1.181 506 A CA 1.286 53.330 52.037 0.012 0.000 0.623 506 A CB -0.798 18.208 19.000 0.010 0.000 0.818 506 A HN 0.526 nan 8.150 nan 0.000 0.443 507 I N -0.417 120.161 120.570 0.014 0.000 2.202 507 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 507 I C 2.729 178.866 176.117 0.034 0.000 1.091 507 I CA 1.122 62.435 61.300 0.021 0.000 1.368 507 I CB -0.736 37.272 38.000 0.013 0.000 1.058 507 I HN 0.380 nan 8.210 nan 0.000 0.410 508 G N 0.363 109.183 108.800 0.033 0.000 2.421 508 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 508 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 508 G C 1.536 176.459 174.900 0.038 0.000 1.171 508 G CA 0.610 45.738 45.100 0.047 0.000 0.775 508 G HN 0.398 nan 8.290 nan 0.000 0.543 509 E N 0.390 120.606 120.200 0.028 0.000 2.110 509 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 509 E C 2.795 179.409 176.600 0.024 0.000 0.988 509 E CA 0.778 57.192 56.400 0.023 0.000 0.804 509 E CB -0.145 29.566 29.700 0.018 0.000 0.745 509 E HN 0.430 nan 8.360 nan 0.000 0.458 510 A N 0.843 123.678 122.820 0.025 0.000 2.119 510 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 510 A C 1.358 178.959 177.584 0.028 0.000 1.153 510 A CA 0.909 52.960 52.037 0.024 0.000 0.692 510 A CB -0.139 18.875 19.000 0.023 0.000 0.799 510 A HN 0.112 nan 8.150 nan 0.000 0.458 511 N N -0.875 117.847 118.700 0.036 0.000 2.268 511 N HA 0.330 5.069 4.740 -0.000 0.000 0.204 511 N C 0.902 176.433 175.510 0.035 0.000 1.124 511 N CA 0.849 53.923 53.050 0.041 0.000 0.838 511 N CB 0.515 39.039 38.487 0.062 0.000 0.994 511 N HN 0.490 nan 8.380 nan 0.000 0.489 512 G N 0.238 109.055 108.800 0.029 0.000 2.148 512 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.254 512 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.254 512 G C 0.794 175.709 174.900 0.025 0.000 0.981 512 G CA 0.212 45.326 45.100 0.023 0.000 0.670 512 G HN 0.349 nan 8.290 nan 0.000 0.528 513 L N 0.156 121.399 121.223 0.032 0.000 2.362 513 L HA 0.249 4.588 4.340 -0.000 0.000 0.219 513 L C 2.472 179.358 176.870 0.027 0.000 1.134 513 L CA 1.107 55.968 54.840 0.034 0.000 0.807 513 L CB -0.348 41.739 42.059 0.047 0.000 0.927 513 L HN 1.084 nan 8.230 nan 0.000 0.447 514 G N -0.188 108.626 108.800 0.023 0.000 2.168 514 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.257 514 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.257 514 G C 0.408 175.319 174.900 0.019 0.000 0.997 514 G CA 0.162 45.273 45.100 0.018 0.000 0.708 514 G HN 0.740 nan 8.290 nan 0.000 0.520 515 G N -1.479 107.335 108.800 0.023 0.000 2.349 515 G HA2 0.722 4.682 3.960 -0.000 0.000 0.294 515 G HA3 0.722 4.682 3.960 -0.000 0.000 0.294 515 G C -3.309 171.608 174.900 0.029 0.000 1.380 515 G CA 0.087 45.201 45.100 0.023 0.000 0.811 515 G HN 0.402 nan 8.290 nan 0.000 0.519 516 P HA 0.428 nan 4.420 nan 0.000 0.276 516 P C 0.373 177.697 177.300 0.040 0.000 1.252 516 P CA -0.458 62.657 63.100 0.025 0.000 0.802 516 P CB 1.163 32.872 31.700 0.014 0.000 1.035 517 L N 1.894 123.135 121.223 0.030 0.000 2.483 517 L HA 0.123 4.462 4.340 -0.000 0.000 0.277 517 L C -1.499 175.378 176.870 0.012 0.000 1.248 517 L CA -1.366 53.489 54.840 0.025 0.000 0.825 517 L CB -0.563 41.445 42.059 -0.085 0.000 1.096 517 L HN 0.318 nan 8.230 nan 0.000 0.512 518 P HA 0.130 nan 4.420 nan 0.000 0.274 518 P C -2.362 174.944 177.300 0.011 0.000 1.256 518 P CA -1.467 61.661 63.100 0.045 0.000 0.795 518 P CB -0.014 31.755 31.700 0.116 0.000 1.038 519 P HA -0.058 nan 4.420 nan 0.000 0.218 519 P C 0.037 177.389 177.300 0.088 0.000 1.149 519 P CA 1.327 64.465 63.100 0.063 0.000 0.817 519 P CB 0.172 31.919 31.700 0.079 0.000 0.785 520 V N 0.089 120.066 119.914 0.104 0.000 2.656 520 V HA 0.250 4.369 4.120 -0.000 0.000 0.307 520 V C -0.220 175.897 176.094 0.038 0.000 1.051 520 V CA -0.816 61.541 62.300 0.095 0.000 0.893 520 V CB 2.201 34.110 31.823 0.144 0.000 0.999 520 V HN -0.161 nan 8.190 nan 0.000 0.426 521 L N 4.328 125.537 121.223 -0.023 0.000 2.257 521 L HA 0.455 4.795 4.340 -0.000 0.000 0.290 521 L C -0.098 176.891 176.870 0.198 0.000 1.044 521 L CA -0.620 54.184 54.840 -0.060 0.000 0.810 521 L CB 0.598 42.486 42.059 -0.285 0.000 1.193 521 L HN 0.634 nan 8.230 nan 0.000 0.425 522 H N 5.181 124.406 119.070 0.258 0.000 2.864 522 H HA 0.213 4.768 4.556 -0.001 0.000 0.281 522 H C 0.280 175.729 175.328 0.201 0.000 1.093 522 H CA -0.103 56.059 56.048 0.190 0.000 1.453 522 H CB 1.120 30.984 29.762 0.169 0.000 1.462 522 H HN 0.606 nan 8.280 nan 0.000 0.480 523 M N 3.591 123.453 119.600 0.438 0.000 2.428 523 M HA 0.205 4.685 4.480 -0.000 0.000 0.239 523 M C 0.924 177.335 176.300 0.184 0.000 1.121 523 M CA 0.555 56.004 55.300 0.248 0.000 1.019 523 M CB 0.659 33.359 32.600 0.167 0.000 1.485 523 M HN 0.825 nan 8.290 nan 0.000 0.484 524 G N 0.370 109.353 108.800 0.306 0.000 2.297 524 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.209 524 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.209 524 G C -0.454 174.589 174.900 0.238 0.000 1.267 524 G CA -0.335 44.833 45.100 0.113 0.000 1.127 524 G HN 0.384 nan 8.290 nan 0.000 0.498 525 S N -1.150 114.630 115.700 0.134 0.000 2.641 525 S HA 0.380 4.850 4.470 -0.000 0.000 0.261 525 S C 1.600 176.276 174.600 0.126 0.000 1.257 525 S CA 0.587 58.870 58.200 0.137 0.000 0.983 525 S CB 0.891 64.165 63.200 0.123 0.000 0.990 525 S HN 1.391 nan 8.310 nan 0.000 0.572 526 C N 0.323 119.714 119.300 0.152 0.000 2.440 526 C HA -0.026 4.433 4.460 -0.000 0.000 0.278 526 C C 2.848 177.865 174.990 0.044 0.000 1.295 526 C CA 0.591 59.693 59.018 0.140 0.000 1.738 526 C CB -1.724 26.166 27.740 0.251 0.000 1.987 526 C HN 0.797 nan 8.230 nan 0.000 0.492 527 V N -0.138 119.765 119.914 -0.018 0.000 2.594 527 V HA -0.144 3.975 4.120 -0.000 0.000 0.253 527 V C 1.372 177.431 176.094 -0.058 0.000 1.069 527 V CA 2.321 64.533 62.300 -0.147 0.000 1.082 527 V CB -0.881 30.809 31.823 -0.222 0.000 0.680 527 V HN 0.351 nan 8.190 nan 0.000 0.469 528 D N 0.948 121.348 120.400 0.001 0.000 2.371 528 D HA -0.035 4.605 4.640 -0.000 0.000 0.234 528 D C 1.770 178.094 176.300 0.041 0.000 1.049 528 D CA 0.371 54.373 54.000 0.002 0.000 0.907 528 D CB -0.584 40.237 40.800 0.035 0.000 0.891 528 D HN 0.487 nan 8.370 nan 0.000 0.531 529 N N 0.330 119.088 118.700 0.096 0.000 2.258 529 N HA -0.158 4.582 4.740 -0.000 0.000 0.187 529 N C 1.762 177.381 175.510 0.182 0.000 1.012 529 N CA 1.060 54.227 53.050 0.194 0.000 0.870 529 N CB -0.121 38.560 38.487 0.324 0.000 0.977 529 N HN 0.263 nan 8.380 nan 0.000 0.434 530 S N 0.852 116.556 115.700 0.006 0.000 2.419 530 S HA -0.059 4.410 4.470 -0.000 0.000 0.233 530 S C 1.811 176.223 174.600 -0.313 0.000 1.016 530 S CA 0.530 58.593 58.200 -0.229 0.000 0.974 530 S CB -0.158 62.771 63.200 -0.452 0.000 0.786 530 S HN 0.303 nan 8.310 nan 0.000 0.492 531 R N 1.303 121.694 120.500 -0.183 0.000 2.092 531 R HA 0.127 4.467 4.340 -0.000 0.000 0.231 531 R C 2.768 179.053 176.300 -0.025 0.000 1.119 531 R CA 1.183 57.209 56.100 -0.124 0.000 0.970 531 R CB -0.752 29.523 30.300 -0.042 0.000 0.864 531 R HN 0.575 nan 8.270 nan 0.000 0.440 532 A N 0.899 123.739 122.820 0.033 0.000 1.933 532 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 532 A C 2.365 179.997 177.584 0.079 0.000 1.175 532 A CA 1.232 53.309 52.037 0.066 0.000 0.628 532 A CB -0.480 18.575 19.000 0.092 0.000 0.814 532 A HN 0.096 nan 8.150 nan 0.000 0.444 533 V N -0.034 119.939 119.914 0.099 0.000 2.287 533 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 533 V C 3.067 179.225 176.094 0.106 0.000 1.053 533 V CA 1.979 64.346 62.300 0.111 0.000 1.027 533 V CB -1.298 30.574 31.823 0.083 0.000 0.646 533 V HN 0.621 nan 8.190 nan 0.000 0.447 534 A N -0.165 122.707 122.820 0.087 0.000 1.908 534 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 534 A C 2.182 179.809 177.584 0.072 0.000 1.181 534 A CA 2.270 54.377 52.037 0.117 0.000 0.627 534 A CB -0.611 18.430 19.000 0.070 0.000 0.818 534 A HN 0.464 nan 8.150 nan 0.000 0.445 535 L N -0.150 121.103 121.223 0.050 0.000 2.017 535 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 535 L C 2.388 179.282 176.870 0.040 0.000 1.073 535 L CA 1.999 56.865 54.840 0.043 0.000 0.745 535 L CB -0.555 41.528 42.059 0.039 0.000 0.894 535 L HN 0.146 nan 8.230 nan 0.000 0.432 536 V N 0.065 120.006 119.914 0.045 0.000 2.358 536 V HA -0.239 3.880 4.120 -0.000 0.000 0.246 536 V C 2.787 178.903 176.094 0.036 0.000 1.047 536 V CA 1.507 63.829 62.300 0.038 0.000 1.035 536 V CB -1.280 30.570 31.823 0.044 0.000 0.658 536 V HN 0.604 nan 8.190 nan 0.000 0.452 537 A N -0.011 122.837 122.820 0.046 0.000 1.933 537 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 537 A C 2.410 180.010 177.584 0.026 0.000 1.175 537 A CA 1.943 54.000 52.037 0.034 0.000 0.628 537 A CB -0.669 18.356 19.000 0.041 0.000 0.814 537 A HN 0.555 nan 8.150 nan 0.000 0.444 538 A N -0.261 122.579 122.820 0.033 0.000 1.898 538 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 538 A C 2.154 179.749 177.584 0.020 0.000 1.181 538 A CA 1.410 53.462 52.037 0.026 0.000 0.620 538 A CB -0.552 18.467 19.000 0.032 0.000 0.819 538 A HN 0.466 nan 8.150 nan 0.000 0.442 539 L N -0.794 120.442 121.223 0.021 0.000 2.046 539 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 539 L C 3.122 180.000 176.870 0.013 0.000 1.077 539 L CA 1.047 55.897 54.840 0.016 0.000 0.747 539 L CB -0.563 41.506 42.059 0.016 0.000 0.896 539 L HN 0.439 nan 8.230 nan 0.000 0.432 540 A N 0.441 123.269 122.820 0.014 0.000 1.883 540 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 540 A C 2.009 179.598 177.584 0.008 0.000 1.186 540 A CA 2.345 54.389 52.037 0.011 0.000 0.624 540 A CB -0.901 18.105 19.000 0.011 0.000 0.822 540 A HN 0.517 nan 8.150 nan 0.000 0.444 541 N N -1.160 117.544 118.700 0.007 0.000 2.120 541 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 541 N C 1.977 177.489 175.510 0.004 0.000 1.024 541 N CA 1.406 54.458 53.050 0.002 0.000 0.852 541 N CB -0.145 38.342 38.487 0.000 0.000 1.003 541 N HN 0.432 nan 8.380 nan 0.000 0.424 542 R N 1.273 121.777 120.500 0.007 0.000 2.096 542 R HA 0.022 4.361 4.340 -0.000 0.000 0.235 542 R C 1.524 177.828 176.300 0.008 0.000 1.127 542 R CA 1.201 57.305 56.100 0.008 0.000 0.968 542 R CB -0.359 29.947 30.300 0.010 0.000 0.861 542 R HN 0.264 nan 8.270 nan 0.000 0.440 543 L N -0.967 120.261 121.223 0.008 0.000 2.509 543 L HA 0.258 4.598 4.340 -0.000 0.000 0.222 543 L C 0.994 177.868 176.870 0.007 0.000 1.123 543 L CA 0.481 55.326 54.840 0.009 0.000 0.856 543 L CB 0.026 42.091 42.059 0.010 0.000 0.985 543 L HN 0.566 nan 8.230 nan 0.000 0.456 544 G N 1.142 109.945 108.800 0.005 0.000 2.221 544 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.265 544 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.265 544 G C 0.054 174.957 174.900 0.005 0.000 1.041 544 G CA 0.387 45.489 45.100 0.004 0.000 0.807 544 G HN 0.308 nan 8.290 nan 0.000 0.502 545 V N -3.952 115.966 119.914 0.006 0.000 3.102 545 V HA 0.891 5.011 4.120 -0.000 0.000 0.312 545 V C 0.120 176.219 176.094 0.008 0.000 1.135 545 V CA -1.093 61.212 62.300 0.008 0.000 1.022 545 V CB 2.134 33.962 31.823 0.010 0.000 1.056 545 V HN 0.149 nan 8.190 nan 0.000 0.436 546 D N 0.108 120.514 120.400 0.010 0.000 2.383 546 D HA 0.345 4.985 4.640 -0.000 0.000 0.248 546 D C 0.924 177.231 176.300 0.012 0.000 1.170 546 D CA -0.276 53.730 54.000 0.011 0.000 0.977 546 D CB 1.476 42.285 40.800 0.014 0.000 1.120 546 D HN 0.491 nan 8.370 nan 0.000 0.481 547 L N 1.033 122.264 121.223 0.013 0.000 2.191 547 L HA -0.105 4.234 4.340 -0.000 0.000 0.212 547 L C 1.573 178.448 176.870 0.009 0.000 1.103 547 L CA 1.264 56.112 54.840 0.013 0.000 0.769 547 L CB -0.731 41.339 42.059 0.019 0.000 0.908 547 L HN 0.497 nan 8.230 nan 0.000 0.438 548 D N -1.205 119.203 120.400 0.014 0.000 2.352 548 D HA -0.111 4.528 4.640 -0.000 0.000 0.232 548 D C 1.657 177.969 176.300 0.019 0.000 1.055 548 D CA 0.396 54.407 54.000 0.018 0.000 0.891 548 D CB -0.185 40.633 40.800 0.030 0.000 0.897 548 D HN 0.285 nan 8.370 nan 0.000 0.529 549 R N -0.325 120.183 120.500 0.013 0.000 2.397 549 R HA 0.304 4.644 4.340 -0.000 0.000 0.241 549 R C 0.380 176.683 176.300 0.005 0.000 0.914 549 R CA -0.279 55.827 56.100 0.010 0.000 1.071 549 R CB 0.733 31.040 30.300 0.011 0.000 1.116 549 R HN 0.169 nan 8.270 nan 0.000 0.524 550 L N 3.093 124.317 121.223 0.001 0.000 2.375 550 L HA 0.271 4.610 4.340 -0.000 0.000 0.271 550 L C -1.845 175.018 176.870 -0.013 0.000 1.107 550 L CA -1.986 52.853 54.840 -0.002 0.000 0.806 550 L CB 0.881 42.939 42.059 -0.002 0.000 1.146 550 L HN -0.242 nan 8.230 nan 0.000 0.447 551 P HA 0.132 nan 4.420 nan 0.000 0.225 551 P C -0.885 176.394 177.300 -0.035 0.000 1.813 551 P CA 0.067 63.152 63.100 -0.025 0.000 1.013 551 P CB 0.183 31.875 31.700 -0.012 0.000 1.961 552 V N 2.599 122.485 119.914 -0.047 0.000 2.638 552 V HA 0.473 4.593 4.120 -0.000 0.000 0.306 552 V C 0.428 176.466 176.094 -0.094 0.000 1.052 552 V CA -0.824 61.440 62.300 -0.060 0.000 0.885 552 V CB 2.543 34.343 31.823 -0.038 0.000 0.999 552 V HN 0.252 nan 8.190 nan 0.000 0.424 553 V N 1.425 121.265 119.914 -0.124 0.000 3.141 553 V HA 1.101 5.221 4.120 -0.000 0.000 0.312 553 V C -0.301 175.682 176.094 -0.184 0.000 1.157 553 V CA -0.784 61.416 62.300 -0.166 0.000 1.041 553 V CB 1.969 33.690 31.823 -0.170 0.000 1.071 553 V HN 1.267 nan 8.190 nan 0.000 0.441 554 A N 0.724 123.427 122.820 -0.195 0.000 2.454 554 A HA 0.934 5.254 4.320 -0.000 0.000 0.302 554 A C -0.452 177.044 177.584 -0.147 0.000 1.079 554 A CA -0.173 51.748 52.037 -0.192 0.000 0.731 554 A CB 1.925 20.818 19.000 -0.178 0.000 1.299 554 A HN 1.851 nan 8.150 nan 0.000 0.413 555 S N 0.362 115.988 115.700 -0.123 0.000 2.776 555 S HA 0.566 5.035 4.470 -0.000 0.000 0.284 555 S C -0.510 174.181 174.600 0.153 0.000 1.160 555 S CA 0.235 58.480 58.200 0.075 0.000 1.051 555 S CB 0.845 64.129 63.200 0.140 0.000 1.037 555 S HN 1.924 nan 8.310 nan 0.000 0.485 556 A N 4.185 127.018 122.820 0.022 0.000 3.015 556 A HA 0.661 4.981 4.320 -0.000 0.000 0.293 556 A C 1.339 178.840 177.584 -0.139 0.000 1.572 556 A CA 0.044 52.093 52.037 0.020 0.000 1.274 556 A CB -0.666 18.320 19.000 -0.023 0.000 1.156 556 A HN 1.233 nan 8.150 nan 0.000 0.562 557 A N 1.100 123.797 122.820 -0.205 0.000 2.067 557 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 557 A C 1.005 178.295 177.584 -0.490 0.000 1.158 557 A CA 1.197 53.002 52.037 -0.386 0.000 0.661 557 A CB -0.020 18.613 19.000 -0.611 0.000 0.801 557 A HN 0.673 nan 8.150 nan 0.000 0.452 558 E N -0.547 119.363 120.200 -0.483 0.000 3.729 558 E HA 0.398 4.748 4.350 -0.000 0.000 0.195 558 E C -0.221 176.329 176.600 -0.084 0.000 1.005 558 E CA -0.245 55.998 56.400 -0.261 0.000 1.356 558 E CB 0.753 30.308 29.700 -0.240 0.000 1.138 558 E HN 0.474 nan 8.360 nan 0.000 0.450 559 A N 1.269 124.039 122.820 -0.083 0.000 2.520 559 A HA 0.183 4.503 4.320 -0.000 0.000 0.235 559 A C 0.746 178.319 177.584 -0.019 0.000 1.065 559 A CA 0.359 52.385 52.037 -0.018 0.000 0.764 559 A CB 0.513 19.483 19.000 -0.049 0.000 1.002 559 A HN 0.409 nan 8.150 nan 0.000 0.502 560 M N 0.547 120.164 119.600 0.028 0.000 2.146 560 M HA 0.113 4.593 4.480 -0.000 0.000 0.194 560 M C 0.437 176.754 176.300 0.030 0.000 1.652 560 M CA 0.277 55.584 55.300 0.012 0.000 0.986 560 M CB -0.341 32.276 32.600 0.028 0.000 1.496 560 M HN 0.917 nan 8.290 nan 0.000 0.576 561 H N 2.161 121.228 119.070 -0.005 0.000 2.607 561 H HA 0.139 4.694 4.556 -0.000 0.000 0.367 561 H C 0.371 175.686 175.328 -0.022 0.000 1.181 561 H CA 1.010 57.050 56.048 -0.012 0.000 1.402 561 H CB 1.195 30.957 29.762 0.001 0.000 1.474 561 H HN 0.359 nan 8.280 nan 0.000 0.596 562 E N 2.231 122.338 120.200 -0.156 0.000 2.130 562 E HA -0.200 4.149 4.350 -0.000 0.000 0.196 562 E C 1.859 178.562 176.600 0.172 0.000 0.998 562 E CA 1.255 57.658 56.400 0.005 0.000 0.806 562 E CB 0.196 29.851 29.700 -0.076 0.000 0.738 562 E HN 0.559 nan 8.360 nan 0.000 0.459 563 K N 0.221 120.867 120.400 0.410 0.000 2.103 563 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 563 K C 2.136 178.843 176.600 0.179 0.000 1.048 563 K CA 1.142 57.502 56.287 0.121 0.000 0.930 563 K CB -0.117 32.244 32.500 -0.232 0.000 0.716 563 K HN 0.081 nan 8.250 nan 0.000 0.444 564 A N 0.828 123.742 122.820 0.156 0.000 1.968 564 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 564 A C 2.306 179.914 177.584 0.040 0.000 1.169 564 A CA 1.051 53.143 52.037 0.091 0.000 0.638 564 A CB -0.401 18.653 19.000 0.090 0.000 0.812 564 A HN 0.060 nan 8.150 nan 0.000 0.446 565 V N -0.050 119.893 119.914 0.048 0.000 2.343 565 V HA -0.249 3.870 4.120 -0.000 0.000 0.247 565 V C 3.044 179.178 176.094 0.066 0.000 1.051 565 V CA 1.891 64.210 62.300 0.031 0.000 1.036 565 V CB -1.235 30.590 31.823 0.003 0.000 0.654 565 V HN 0.598 nan 8.190 nan 0.000 0.451 566 A N -0.035 122.840 122.820 0.092 0.000 1.902 566 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 566 A C 2.191 179.760 177.584 -0.024 0.000 1.181 566 A CA 1.961 54.080 52.037 0.136 0.000 0.623 566 A CB -0.552 18.591 19.000 0.237 0.000 0.818 566 A HN 0.500 nan 8.150 nan 0.000 0.443 567 I N -0.317 120.146 120.570 -0.178 0.000 2.226 567 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 567 I C 2.702 178.282 176.117 -0.894 0.000 1.100 567 I CA 1.145 61.911 61.300 -0.891 0.000 1.374 567 I CB -0.585 37.139 38.000 -0.460 0.000 1.057 567 I HN 0.401 nan 8.210 nan 0.000 0.413 568 G N 0.013 108.616 108.800 -0.329 0.000 2.442 568 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 568 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 568 G C 1.655 176.447 174.900 -0.180 0.000 1.141 568 G CA 1.454 46.464 45.100 -0.151 0.000 0.763 568 G HN 0.297 nan 8.290 nan 0.000 0.554 569 T N 0.788 115.372 114.554 0.050 0.000 2.821 569 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 569 T C 2.042 176.757 174.700 0.023 0.000 1.046 569 T CA 1.291 63.451 62.100 0.100 0.000 1.139 569 T CB -0.315 68.694 68.868 0.234 0.000 0.871 569 T HN 0.787 nan 8.240 nan 0.000 0.454 570 W N 1.751 123.060 121.300 0.015 0.000 2.467 570 W HA 0.257 4.917 4.660 -0.001 0.000 0.275 570 W C 2.152 178.633 176.519 -0.063 0.000 1.239 570 W CA 0.356 57.693 57.345 -0.013 0.000 1.266 570 W CB -0.792 28.679 29.460 0.018 0.000 1.112 570 W HN 0.215 nan 8.180 nan 0.000 0.576 571 A N 2.004 124.764 122.820 -0.100 0.000 1.883 571 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 571 A C 2.255 179.758 177.584 -0.135 0.000 1.186 571 A CA 2.658 54.634 52.037 -0.103 0.000 0.624 571 A CB -1.097 17.680 19.000 -0.371 0.000 0.822 571 A HN 0.148 nan 8.150 nan 0.000 0.444 572 V N -0.309 119.415 119.914 -0.316 0.000 2.343 572 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 572 V C 2.724 178.742 176.094 -0.126 0.000 1.051 572 V CA 2.454 64.550 62.300 -0.340 0.000 1.036 572 V CB -1.144 30.303 31.823 -0.627 0.000 0.654 572 V HN 0.623 nan 8.190 nan 0.000 0.451 573 T N 1.137 115.672 114.554 -0.030 0.000 2.867 573 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 573 T C 1.683 176.411 174.700 0.047 0.000 1.057 573 T CA 1.795 63.913 62.100 0.030 0.000 1.136 573 T CB -0.291 68.632 68.868 0.092 0.000 0.874 573 T HN 0.704 nan 8.240 nan 0.000 0.466 574 I N -1.451 119.172 120.570 0.087 0.000 3.564 574 I HA 0.424 4.594 4.170 -0.000 0.000 0.294 574 I C 1.404 177.542 176.117 0.036 0.000 1.289 574 I CA 0.439 61.782 61.300 0.072 0.000 1.325 574 I CB -0.215 37.855 38.000 0.117 0.000 1.039 574 I HN 0.305 nan 8.210 nan 0.000 0.474 575 G N 1.476 110.278 108.800 0.003 0.000 2.173 575 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.142 575 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.142 575 G C -0.193 174.677 174.900 -0.051 0.000 1.019 575 G CA -0.413 44.681 45.100 -0.010 0.000 0.699 575 G HN 0.271 nan 8.290 nan 0.000 0.495 576 L N 0.816 121.974 121.223 -0.108 0.000 2.322 576 L HA 0.494 4.834 4.340 -0.000 0.000 0.279 576 L C -2.203 174.444 176.870 -0.371 0.000 1.036 576 L CA -2.360 52.371 54.840 -0.181 0.000 0.807 576 L CB 1.628 43.594 42.059 -0.154 0.000 1.226 576 L HN -0.158 nan 8.230 nan 0.000 0.433 577 P HA 0.102 nan 4.420 nan 0.000 0.271 577 P C -0.933 176.070 177.300 -0.495 0.000 1.226 577 P CA 0.036 62.602 63.100 -0.891 0.000 0.765 577 P CB 0.644 31.899 31.700 -0.742 0.000 0.835 578 T N 3.005 117.285 114.554 -0.457 0.000 2.906 578 T HA 0.180 4.530 4.350 -0.000 0.000 0.302 578 T C -0.656 174.022 174.700 -0.036 0.000 1.002 578 T CA -0.433 61.508 62.100 -0.266 0.000 0.988 578 T CB 0.111 68.721 68.868 -0.430 0.000 0.972 578 T HN 0.438 nan 8.240 nan 0.000 0.447 579 H N 4.070 123.092 119.070 -0.081 0.000 2.582 579 H HA 0.590 5.146 4.556 -0.000 0.000 0.345 579 H C -0.969 174.388 175.328 0.048 0.000 1.104 579 H CA -0.341 55.708 56.048 0.001 0.000 1.390 579 H CB 0.852 30.593 29.762 -0.035 0.000 1.461 579 H HN 0.543 nan 8.280 nan 0.000 0.551 580 I N 3.649 123.890 120.570 -0.549 0.000 2.498 580 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 580 I C 0.576 176.240 176.117 -0.755 0.000 1.032 580 I CA -0.504 60.459 61.300 -0.562 0.000 1.073 580 I CB 1.561 39.419 38.000 -0.236 0.000 1.251 580 I HN 0.791 nan 8.210 nan 0.000 0.426 581 G N 6.254 114.676 108.800 -0.629 0.000 3.233 581 G HA2 0.320 4.279 3.960 -0.000 0.000 0.234 581 G HA3 0.320 4.279 3.960 -0.000 0.000 0.234 581 G C -0.092 174.723 174.900 -0.141 0.000 1.137 581 G CA 0.137 45.073 45.100 -0.273 0.000 0.763 581 G HN 0.352 nan 8.290 nan 0.000 0.549 582 V N 0.359 120.176 119.914 -0.162 0.000 3.001 582 V HA 0.417 4.537 4.120 -0.000 0.000 0.314 582 V C -0.198 175.831 176.094 -0.109 0.000 1.099 582 V CA -0.983 61.251 62.300 -0.111 0.000 0.989 582 V CB 2.453 34.210 31.823 -0.111 0.000 1.040 582 V HN 0.034 nan 8.190 nan 0.000 0.434 583 L N 5.164 126.339 121.223 -0.080 0.000 2.313 583 L HA 0.351 4.690 4.340 -0.000 0.000 0.282 583 L C -1.979 174.830 176.870 -0.103 0.000 1.092 583 L CA -1.192 53.598 54.840 -0.083 0.000 0.831 583 L CB 1.380 43.407 42.059 -0.053 0.000 1.159 583 L HN 0.509 nan 8.230 nan 0.000 0.442 584 P HA 0.315 nan 4.420 nan 0.000 0.278 584 P C -2.646 174.585 177.300 -0.114 0.000 1.258 584 P CA -2.060 60.952 63.100 -0.146 0.000 0.811 584 P CB 0.223 31.786 31.700 -0.228 0.000 1.063 585 P HA 0.241 nan 4.420 nan 0.000 0.225 585 P C 0.392 177.648 177.300 -0.074 0.000 1.813 585 P CA 0.068 63.126 63.100 -0.070 0.000 1.013 585 P CB -0.805 30.864 31.700 -0.050 0.000 1.961 586 I N -2.431 118.087 120.570 -0.086 0.000 4.439 586 I HA 0.108 4.278 4.170 -0.000 0.000 0.331 586 I C 1.296 177.373 176.117 -0.067 0.000 1.345 586 I CA -0.087 61.164 61.300 -0.081 0.000 1.193 586 I CB -0.247 37.689 38.000 -0.105 0.000 1.221 586 I HN -0.115 nan 8.210 nan 0.000 0.429 587 T N -1.287 113.230 114.554 -0.063 0.000 3.007 587 T HA 0.048 4.398 4.350 -0.000 0.000 0.270 587 T C 1.812 176.471 174.700 -0.068 0.000 1.107 587 T CA 1.034 63.105 62.100 -0.048 0.000 1.118 587 T CB -0.687 68.162 68.868 -0.031 0.000 0.889 587 T HN 0.459 nan 8.240 nan 0.000 0.506 588 G N 0.451 109.200 108.800 -0.086 0.000 2.776 588 G HA2 0.180 4.140 3.960 -0.000 0.000 0.209 588 G HA3 0.180 4.140 3.960 -0.000 0.000 0.209 588 G C 0.448 175.276 174.900 -0.120 0.000 1.145 588 G CA 0.221 45.245 45.100 -0.127 0.000 0.791 588 G HN 0.612 nan 8.290 nan 0.000 0.530 589 S N -0.421 115.231 115.700 -0.081 0.000 2.756 589 S HA 0.356 4.826 4.470 -0.000 0.000 0.303 589 S C 0.722 175.298 174.600 -0.039 0.000 1.135 589 S CA -0.799 57.363 58.200 -0.063 0.000 1.066 589 S CB 1.306 64.477 63.200 -0.049 0.000 1.008 589 S HN 0.033 nan 8.310 nan 0.000 0.482 590 L N 7.242 128.448 121.223 -0.028 0.000 2.056 590 L HA 0.264 4.604 4.340 -0.000 0.000 0.207 590 L C -1.235 175.635 176.870 -0.000 0.000 1.078 590 L CA 1.805 56.644 54.840 -0.002 0.000 0.749 590 L CB -0.991 41.078 42.059 0.018 0.000 0.901 590 L HN 0.471 nan 8.230 nan 0.000 0.433 591 P HA -0.139 nan 4.420 nan 0.000 0.215 591 P C 2.068 179.369 177.300 0.002 0.000 1.153 591 P CA 1.376 64.476 63.100 0.000 0.000 0.853 591 P CB 0.018 31.716 31.700 -0.003 0.000 0.788 592 V N -0.714 119.196 119.914 -0.006 0.000 2.358 592 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 592 V C 2.307 178.403 176.094 0.004 0.000 1.047 592 V CA 2.428 64.727 62.300 -0.003 0.000 1.035 592 V CB -1.708 30.105 31.823 -0.017 0.000 0.658 592 V HN 0.185 nan 8.190 nan 0.000 0.452 593 T N -0.563 113.988 114.554 -0.004 0.000 2.720 593 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 593 T C 1.932 176.650 174.700 0.030 0.000 1.037 593 T CA 1.725 63.828 62.100 0.004 0.000 1.144 593 T CB -0.248 68.618 68.868 -0.002 0.000 0.864 593 T HN 0.534 nan 8.240 nan 0.000 0.444 594 Q N -0.017 119.797 119.800 0.023 0.000 2.124 594 Q HA -0.006 4.334 4.340 -0.000 0.000 0.202 594 Q C 2.350 178.371 176.000 0.034 0.000 0.977 594 Q CA 1.095 56.914 55.803 0.026 0.000 0.850 594 Q CB -0.320 28.427 28.738 0.016 0.000 0.901 594 Q HN 0.529 nan 8.270 nan 0.000 0.429 595 I N 0.431 121.022 120.570 0.035 0.000 2.179 595 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 595 I C 2.030 178.195 176.117 0.081 0.000 1.088 595 I CA 1.197 62.523 61.300 0.043 0.000 1.357 595 I CB -0.137 37.885 38.000 0.036 0.000 1.051 595 I HN 0.200 nan 8.210 nan 0.000 0.409 596 L N -0.058 121.232 121.223 0.112 0.000 2.291 596 L HA -0.104 4.235 4.340 -0.000 0.000 0.214 596 L C 2.250 179.293 176.870 0.288 0.000 1.120 596 L CA 1.471 56.447 54.840 0.226 0.000 0.799 596 L CB -0.585 41.592 42.059 0.197 0.000 0.925 596 L HN 0.439 nan 8.230 nan 0.000 0.446 597 T N -6.957 107.710 114.554 0.189 0.000 3.010 597 T HA 0.123 4.473 4.350 -0.000 0.000 0.257 597 T C 1.297 176.065 174.700 0.113 0.000 1.020 597 T CA 0.508 62.734 62.100 0.209 0.000 0.938 597 T CB 0.846 69.806 68.868 0.153 0.000 1.049 597 T HN 0.131 nan 8.240 nan 0.000 0.522 598 S N 1.011 116.744 115.700 0.056 0.000 4.193 598 S HA 0.112 4.582 4.470 -0.000 0.000 0.211 598 S C 1.778 176.363 174.600 -0.025 0.000 1.162 598 S CA 0.665 58.846 58.200 -0.031 0.000 1.039 598 S CB -0.284 62.897 63.200 -0.031 0.000 1.371 598 S HN 0.494 nan 8.310 nan 0.000 0.550 599 S N 1.377 117.077 115.700 -0.000 0.000 2.489 599 S HA 0.092 4.561 4.470 -0.000 0.000 0.228 599 S C 1.629 176.224 174.600 -0.009 0.000 0.995 599 S CA 0.907 59.101 58.200 -0.010 0.000 0.934 599 S CB -0.162 63.036 63.200 -0.004 0.000 0.771 599 S HN 0.434 nan 8.310 nan 0.000 0.522 600 V N 1.949 121.871 119.914 0.014 0.000 2.867 600 V HA -0.123 3.997 4.120 -0.000 0.000 0.260 600 V C 2.159 178.252 176.094 -0.000 0.000 1.099 600 V CA 1.622 63.923 62.300 0.001 0.000 1.122 600 V CB -0.724 31.121 31.823 0.037 0.000 0.708 600 V HN 0.489 nan 8.190 nan 0.000 0.490 601 K N -0.217 120.190 120.400 0.012 0.000 2.152 601 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 601 K C 1.609 178.203 176.600 -0.011 0.000 1.048 601 K CA 1.756 58.050 56.287 0.011 0.000 0.933 601 K CB -0.234 32.217 32.500 -0.082 0.000 0.721 601 K HN 0.517 nan 8.250 nan 0.000 0.447 602 D N 0.225 120.610 120.400 -0.026 0.000 2.363 602 D HA -0.014 4.626 4.640 -0.000 0.000 0.220 602 D C 1.615 177.894 176.300 -0.035 0.000 0.994 602 D CA 0.811 54.802 54.000 -0.015 0.000 0.890 602 D CB 0.194 40.989 40.800 -0.008 0.000 0.906 602 D HN 0.282 nan 8.370 nan 0.000 0.530 603 I N -0.068 120.432 120.570 -0.116 0.000 2.899 603 I HA -0.091 4.079 4.170 -0.000 0.000 0.257 603 I C 2.179 178.168 176.117 -0.215 0.000 1.115 603 I CA 1.006 62.098 61.300 -0.347 0.000 1.451 603 I CB 0.164 37.910 38.000 -0.423 0.000 1.251 603 I HN -0.051 nan 8.210 nan 0.000 0.456 604 T N -2.946 111.547 114.554 -0.101 0.000 2.975 604 T HA 0.361 4.710 4.350 -0.000 0.000 0.257 604 T C 1.533 176.239 174.700 0.009 0.000 1.003 604 T CA 0.577 62.657 62.100 -0.033 0.000 0.932 604 T CB 1.027 69.876 68.868 -0.031 0.000 1.087 604 T HN 0.487 nan 8.240 nan 0.000 0.512 605 G N 0.753 109.568 108.800 0.024 0.000 2.253 605 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.251 605 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.251 605 G C 0.569 175.541 174.900 0.120 0.000 0.998 605 G CA 0.028 45.164 45.100 0.060 0.000 0.621 605 G HN 1.075 nan 8.290 nan 0.000 0.524 606 G N -0.672 108.168 108.800 0.065 0.000 2.535 606 G HA2 0.858 4.817 3.960 -0.000 0.000 0.303 606 G HA3 0.858 4.817 3.960 -0.000 0.000 0.303 606 G C -0.543 174.440 174.900 0.139 0.000 1.237 606 G CA -0.189 44.911 45.100 -0.001 0.000 0.986 606 G HN 1.682 nan 8.290 nan 0.000 0.494 607 Y N -3.454 116.746 120.300 -0.167 0.000 2.583 607 Y HA 0.548 5.098 4.550 -0.001 0.000 0.330 607 Y C -1.540 174.265 175.900 -0.159 0.000 1.185 607 Y CA -2.219 55.807 58.100 -0.123 0.000 1.107 607 Y CB 0.227 38.664 38.460 -0.037 0.000 1.344 607 Y HN 0.430 nan 8.280 nan 0.000 0.463 608 F N 2.972 122.966 119.950 0.073 0.000 2.418 608 F HA 0.566 5.093 4.527 -0.000 0.000 0.341 608 F C 0.310 176.168 175.800 0.098 0.000 1.120 608 F CA -0.371 57.633 58.000 0.006 0.000 1.232 608 F CB 0.887 39.888 39.000 0.002 0.000 1.175 608 F HN 0.420 nan 8.300 nan 0.000 0.569 609 I N 3.720 124.457 120.570 0.278 0.000 2.437 609 I HA 0.228 4.397 4.170 -0.000 0.000 0.279 609 I C -1.076 175.182 176.117 0.236 0.000 1.028 609 I CA -0.650 60.798 61.300 0.248 0.000 1.142 609 I CB 1.179 39.301 38.000 0.203 0.000 1.266 609 I HN 0.129 nan 8.210 nan 0.000 0.461 610 V N 5.510 125.519 119.914 0.158 0.000 2.408 610 V HA 0.354 4.473 4.120 -0.000 0.000 0.267 610 V C -0.086 176.081 176.094 0.123 0.000 1.047 610 V CA -0.117 62.229 62.300 0.076 0.000 0.937 610 V CB 1.061 32.885 31.823 0.002 0.000 0.999 610 V HN 0.679 nan 8.190 nan 0.000 0.472 611 E N 4.321 124.629 120.200 0.181 0.000 2.367 611 E HA 0.378 4.728 4.350 -0.000 0.000 0.292 611 E C -0.482 176.237 176.600 0.198 0.000 0.900 611 E CA -0.512 55.993 56.400 0.175 0.000 0.807 611 E CB 1.456 31.249 29.700 0.154 0.000 1.337 611 E HN 0.298 nan 8.360 nan 0.000 0.394 612 L N 2.468 123.744 121.223 0.087 0.000 2.341 612 L HA 0.236 4.576 4.340 -0.000 0.000 0.214 612 L C 0.479 177.376 176.870 0.046 0.000 1.115 612 L CA 0.784 55.658 54.840 0.056 0.000 0.820 612 L CB -0.230 41.842 42.059 0.021 0.000 0.944 612 L HN 0.574 nan 8.230 nan 0.000 0.452 613 D N 0.182 120.606 120.400 0.039 0.000 2.316 613 D HA 0.110 4.749 4.640 -0.000 0.000 0.245 613 D C -1.514 174.786 176.300 0.000 0.000 1.171 613 D CA -1.811 52.198 54.000 0.016 0.000 0.856 613 D CB 1.359 42.165 40.800 0.010 0.000 1.090 613 D HN -0.069 nan 8.370 nan 0.000 0.476 614 P HA -0.119 nan 4.420 nan 0.000 0.219 614 P C 0.753 178.026 177.300 -0.045 0.000 1.150 614 P CA 0.920 63.998 63.100 -0.035 0.000 0.814 614 P CB 0.373 32.051 31.700 -0.036 0.000 0.787 615 E N -0.344 119.842 120.200 -0.024 0.000 2.077 615 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 615 E C 1.929 178.512 176.600 -0.027 0.000 0.989 615 E CA 1.536 57.925 56.400 -0.018 0.000 0.800 615 E CB -0.586 29.111 29.700 -0.004 0.000 0.746 615 E HN 0.250 nan 8.360 nan 0.000 0.452 616 T N 0.828 115.366 114.554 -0.027 0.000 2.821 616 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 616 T C 1.989 176.649 174.700 -0.066 0.000 1.046 616 T CA 1.031 63.114 62.100 -0.028 0.000 1.139 616 T CB -0.161 68.700 68.868 -0.011 0.000 0.871 616 T HN 0.230 nan 8.240 nan 0.000 0.454 617 A N 1.587 124.334 122.820 -0.122 0.000 1.902 617 A HA 0.116 4.435 4.320 -0.000 0.000 0.217 617 A C 2.650 180.082 177.584 -0.253 0.000 1.181 617 A CA 1.841 53.696 52.037 -0.303 0.000 0.623 617 A CB -1.107 17.528 19.000 -0.608 0.000 0.818 617 A HN 0.506 nan 8.150 nan 0.000 0.443 618 A N -0.002 122.732 122.820 -0.143 0.000 1.902 618 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 618 A C 1.771 179.325 177.584 -0.052 0.000 1.181 618 A CA 1.892 53.886 52.037 -0.072 0.000 0.623 618 A CB -0.595 18.397 19.000 -0.013 0.000 0.818 618 A HN 0.461 nan 8.150 nan 0.000 0.443 619 D N -0.197 120.180 120.400 -0.039 0.000 2.117 619 D HA -0.120 4.519 4.640 -0.000 0.000 0.197 619 D C 1.923 178.206 176.300 -0.029 0.000 0.987 619 D CA 1.380 55.368 54.000 -0.020 0.000 0.829 619 D CB -0.233 40.563 40.800 -0.007 0.000 0.961 619 D HN 0.508 nan 8.370 nan 0.000 0.460 620 K N 0.033 120.405 120.400 -0.045 0.000 2.103 620 K HA 0.003 4.323 4.320 -0.000 0.000 0.204 620 K C 2.311 178.888 176.600 -0.039 0.000 1.052 620 K CA 0.389 56.659 56.287 -0.029 0.000 0.945 620 K CB -0.031 32.459 32.500 -0.016 0.000 0.722 620 K HN 0.117 nan 8.250 nan 0.000 0.443 621 L N 0.848 122.023 121.223 -0.079 0.000 2.056 621 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 621 L C 2.261 179.092 176.870 -0.067 0.000 1.078 621 L CA 1.013 55.801 54.840 -0.086 0.000 0.749 621 L CB -0.337 41.648 42.059 -0.123 0.000 0.901 621 L HN 0.153 nan 8.230 nan 0.000 0.433 622 L N -0.547 120.648 121.223 -0.048 0.000 2.046 622 L HA -0.211 4.128 4.340 -0.000 0.000 0.208 622 L C 2.831 179.664 176.870 -0.062 0.000 1.077 622 L CA 1.189 56.010 54.840 -0.033 0.000 0.747 622 L CB -0.689 41.370 42.059 0.001 0.000 0.896 622 L HN 0.252 nan 8.230 nan 0.000 0.432 623 A N -0.158 122.624 122.820 -0.065 0.000 1.933 623 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 623 A C 2.513 180.024 177.584 -0.122 0.000 1.175 623 A CA 1.625 53.592 52.037 -0.116 0.000 0.628 623 A CB -0.619 18.337 19.000 -0.074 0.000 0.814 623 A HN 0.406 nan 8.150 nan 0.000 0.444 624 A N -0.031 122.758 122.820 -0.051 0.000 1.898 624 A HA -0.050 4.269 4.320 -0.000 0.000 0.216 624 A C 2.104 179.650 177.584 -0.064 0.000 1.181 624 A CA 1.433 53.465 52.037 -0.008 0.000 0.620 624 A CB -0.563 18.447 19.000 0.017 0.000 0.819 624 A HN 0.486 nan 8.150 nan 0.000 0.442 625 I N 0.127 120.648 120.570 -0.082 0.000 2.179 625 I HA -0.266 3.903 4.170 -0.000 0.000 0.242 625 I C 2.024 178.070 176.117 -0.119 0.000 1.088 625 I CA 1.274 62.526 61.300 -0.080 0.000 1.357 625 I CB -0.403 37.563 38.000 -0.056 0.000 1.051 625 I HN 0.299 nan 8.210 nan 0.000 0.409 626 N N 0.640 119.222 118.700 -0.196 0.000 2.270 626 N HA -0.149 4.591 4.740 -0.000 0.000 0.181 626 N C 1.700 176.868 175.510 -0.570 0.000 1.016 626 N CA 1.046 53.862 53.050 -0.389 0.000 0.870 626 N CB -0.186 37.964 38.487 -0.561 0.000 0.979 626 N HN 0.431 nan 8.380 nan 0.000 0.431 627 E N 0.425 120.380 120.200 -0.409 0.000 2.077 627 E HA -0.069 4.280 4.350 -0.000 0.000 0.193 627 E C 1.935 178.427 176.600 -0.180 0.000 0.989 627 E CA 0.724 56.941 56.400 -0.306 0.000 0.800 627 E CB 0.138 29.729 29.700 -0.182 0.000 0.746 627 E HN 0.194 nan 8.360 nan 0.000 0.452 628 R N 0.656 121.084 120.500 -0.119 0.000 2.081 628 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 628 R C 2.249 178.521 176.300 -0.048 0.000 1.131 628 R CA 1.014 57.080 56.100 -0.057 0.000 0.960 628 R CB -0.464 29.814 30.300 -0.036 0.000 0.856 628 R HN 0.195 nan 8.270 nan 0.000 0.436 629 R N 0.394 120.858 120.500 -0.062 0.000 2.083 629 R HA -0.097 4.242 4.340 -0.000 0.000 0.237 629 R C 2.325 178.653 176.300 0.047 0.000 1.137 629 R CA 1.634 57.742 56.100 0.014 0.000 0.951 629 R CB -0.488 29.855 30.300 0.072 0.000 0.851 629 R HN 0.208 nan 8.270 nan 0.000 0.434 630 A N 0.643 123.441 122.820 -0.036 0.000 1.933 630 A HA -0.086 4.233 4.320 -0.000 0.000 0.218 630 A C 2.353 179.966 177.584 0.048 0.000 1.175 630 A CA 1.735 53.815 52.037 0.070 0.000 0.628 630 A CB -0.984 17.998 19.000 -0.030 0.000 0.814 630 A HN 0.491 nan 8.150 nan 0.000 0.444 631 G N -0.738 108.062 108.800 -0.001 0.000 2.534 631 G HA2 0.025 3.985 3.960 -0.000 0.000 0.217 631 G HA3 0.025 3.985 3.960 -0.000 0.000 0.217 631 G C 1.250 176.163 174.900 0.022 0.000 1.128 631 G CA 0.680 45.785 45.100 0.009 0.000 0.784 631 G HN 0.448 nan 8.290 nan 0.000 0.542 632 L N 0.157 121.397 121.223 0.029 0.000 2.591 632 L HA 0.269 4.609 4.340 -0.000 0.000 0.228 632 L C 1.902 178.800 176.870 0.047 0.000 1.133 632 L CA 0.379 55.239 54.840 0.033 0.000 0.880 632 L CB 0.103 42.181 42.059 0.031 0.000 1.033 632 L HN 0.315 nan 8.230 nan 0.000 0.450 633 G N 0.566 109.404 108.800 0.063 0.000 2.136 633 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.242 633 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.242 633 G C 0.064 175.015 174.900 0.086 0.000 0.989 633 G CA -0.127 45.015 45.100 0.071 0.000 0.682 633 G HN 0.231 nan 8.290 nan 0.000 0.522 634 L N 0.485 121.777 121.223 0.114 0.000 2.360 634 L HA 0.529 4.869 4.340 -0.000 0.000 0.271 634 L C -1.657 175.326 176.870 0.188 0.000 1.057 634 L CA -2.444 52.468 54.840 0.120 0.000 0.803 634 L CB 1.172 43.298 42.059 0.111 0.000 1.207 634 L HN -0.118 nan 8.230 nan 0.000 0.445 635 P HA 0.073 nan 4.420 nan 0.000 0.270 635 P C -1.210 176.195 177.300 0.175 0.000 1.223 635 P CA -0.167 62.962 63.100 0.047 0.000 0.785 635 P CB 0.447 32.133 31.700 -0.023 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 57.348 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