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 3b51_1_X 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 0.000 175.907 176.000 -0.155 0.000 1.003 4 Q CA 0.000 55.713 55.803 -0.149 0.000 1.022 4 Q CB 0.000 28.644 28.738 -0.157 0.000 1.108 5 N N 1.601 120.249 118.700 -0.087 0.000 2.453 5 N HA -0.077 4.663 4.740 -0.001 0.000 0.183 5 N C 1.452 176.933 175.510 -0.048 0.000 1.041 5 N CA 0.695 53.711 53.050 -0.057 0.000 0.900 5 N CB 0.011 38.484 38.487 -0.024 0.000 0.961 5 N HN 0.219 nan 8.380 nan 0.000 0.443 6 L N -0.005 121.185 121.223 -0.055 0.000 2.313 6 L HA 0.036 4.376 4.340 -0.001 0.000 0.214 6 L C 2.215 179.070 176.870 -0.026 0.000 1.119 6 L CA 0.789 55.617 54.840 -0.020 0.000 0.809 6 L CB -0.103 41.954 42.059 -0.004 0.000 0.933 6 L HN 0.120 nan 8.230 nan 0.000 0.449 7 K N -1.024 119.271 120.400 -0.175 0.000 2.141 7 K HA 0.102 4.422 4.320 -0.001 0.000 0.202 7 K C 0.782 177.234 176.600 -0.247 0.000 1.045 7 K CA 0.361 56.405 56.287 -0.405 0.000 0.971 7 K CB 0.435 32.262 32.500 -1.122 0.000 0.795 7 K HN 0.030 nan 8.250 nan 0.000 0.459 8 S N -0.173 115.375 115.700 -0.252 0.000 2.540 8 S HA 0.132 4.602 4.470 -0.001 0.000 0.275 8 S C 0.331 174.937 174.600 0.009 0.000 1.123 8 S CA -0.736 57.437 58.200 -0.045 0.000 0.907 8 S CB 1.672 64.813 63.200 -0.098 0.000 1.081 8 S HN 0.284 nan 8.310 nan 0.000 0.476 9 T N -0.211 114.404 114.554 0.103 0.000 3.129 9 T HA 0.145 4.495 4.350 -0.001 0.000 0.251 9 T C 0.283 175.136 174.700 0.255 0.000 1.117 9 T CA 0.102 62.284 62.100 0.135 0.000 1.034 9 T CB -0.233 68.687 68.868 0.087 0.000 0.968 9 T HN 0.516 nan 8.240 nan 0.000 0.526 10 D N 1.272 121.794 120.400 0.203 0.000 2.316 10 D HA 0.198 4.838 4.640 -0.001 0.000 0.245 10 D C 1.047 177.360 176.300 0.021 0.000 1.171 10 D CA -0.412 53.640 54.000 0.086 0.000 0.856 10 D CB 1.101 41.937 40.800 0.060 0.000 1.090 10 D HN 0.196 nan 8.370 nan 0.000 0.476 11 R N 2.741 123.242 120.500 0.002 0.000 2.115 11 R HA -0.096 4.244 4.340 -0.001 0.000 0.230 11 R C 1.920 178.209 176.300 -0.019 0.000 1.111 11 R CA 1.289 57.384 56.100 -0.008 0.000 0.976 11 R CB -0.007 30.291 30.300 -0.004 0.000 0.870 11 R HN 0.482 nan 8.270 nan 0.000 0.445 12 A N 0.690 123.497 122.820 -0.023 0.000 1.898 12 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 12 A C 2.321 179.899 177.584 -0.010 0.000 1.181 12 A CA 1.213 53.241 52.037 -0.016 0.000 0.620 12 A CB -0.428 18.562 19.000 -0.016 0.000 0.819 12 A HN 0.101 nan 8.150 nan 0.000 0.442 13 V N 0.039 119.950 119.914 -0.004 0.000 2.343 13 V HA -0.331 3.788 4.120 -0.001 0.000 0.247 13 V C 2.634 178.687 176.094 -0.069 0.000 1.051 13 V CA 2.272 64.569 62.300 -0.005 0.000 1.036 13 V CB -0.993 30.849 31.823 0.032 0.000 0.654 13 V HN 0.644 nan 8.190 nan 0.000 0.451 14 Q N -0.432 119.320 119.800 -0.081 0.000 2.096 14 Q HA -0.313 4.026 4.340 -0.001 0.000 0.204 14 Q C 2.380 178.339 176.000 -0.069 0.000 0.982 14 Q CA 2.117 57.858 55.803 -0.103 0.000 0.850 14 Q CB -0.247 28.447 28.738 -0.075 0.000 0.901 14 Q HN 0.686 nan 8.270 nan 0.000 0.422 15 Q N -0.203 119.572 119.800 -0.041 0.000 2.084 15 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 15 Q C 1.950 177.938 176.000 -0.020 0.000 0.978 15 Q CA 1.095 56.883 55.803 -0.026 0.000 0.844 15 Q CB 0.146 28.874 28.738 -0.016 0.000 0.898 15 Q HN 0.337 nan 8.270 nan 0.000 0.426 16 M N 0.051 119.642 119.600 -0.014 0.000 2.254 16 M HA -0.089 4.391 4.480 -0.001 0.000 0.265 16 M C 2.090 178.392 176.300 0.003 0.000 1.066 16 M CA 0.991 56.293 55.300 0.004 0.000 1.123 16 M CB -0.636 31.978 32.600 0.023 0.000 1.388 16 M HN 0.292 nan 8.290 nan 0.000 0.425 17 L N -0.090 121.114 121.223 -0.032 0.000 2.046 17 L HA -0.244 4.096 4.340 -0.001 0.000 0.208 17 L C 2.064 178.917 176.870 -0.029 0.000 1.077 17 L CA 1.034 55.846 54.840 -0.047 0.000 0.747 17 L CB -0.695 41.267 42.059 -0.163 0.000 0.896 17 L HN 0.248 nan 8.230 nan 0.000 0.432 18 D N -0.036 120.343 120.400 -0.034 0.000 2.117 18 D HA -0.204 4.436 4.640 -0.001 0.000 0.197 18 D C 2.097 178.394 176.300 -0.005 0.000 0.987 18 D CA 1.162 55.149 54.000 -0.021 0.000 0.829 18 D CB 0.004 40.790 40.800 -0.023 0.000 0.961 18 D HN 0.244 nan 8.370 nan 0.000 0.460 19 K N 0.721 121.121 120.400 -0.001 0.000 2.026 19 K HA -0.087 4.232 4.320 -0.001 0.000 0.208 19 K C 2.054 178.664 176.600 0.016 0.000 1.048 19 K CA 1.279 57.570 56.287 0.007 0.000 0.929 19 K CB -0.052 32.453 32.500 0.009 0.000 0.713 19 K HN 0.001 nan 8.250 nan 0.000 0.439 20 A N 1.601 124.436 122.820 0.025 0.000 1.908 20 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 20 A C 2.054 179.659 177.584 0.035 0.000 1.181 20 A CA 1.949 54.010 52.037 0.039 0.000 0.627 20 A CB -0.543 18.496 19.000 0.064 0.000 0.818 20 A HN 0.422 nan 8.150 nan 0.000 0.445 21 K N -0.419 119.996 120.400 0.026 0.000 2.002 21 K HA -0.205 4.115 4.320 -0.001 0.000 0.209 21 K C 2.332 178.942 176.600 0.017 0.000 1.048 21 K CA 1.637 57.937 56.287 0.022 0.000 0.930 21 K CB -0.250 32.257 32.500 0.010 0.000 0.714 21 K HN 0.409 nan 8.250 nan 0.000 0.438 22 R N 0.811 121.318 120.500 0.012 0.000 2.117 22 R HA -0.158 4.182 4.340 -0.001 0.000 0.243 22 R C 1.273 177.580 176.300 0.012 0.000 1.143 22 R CA 2.140 58.245 56.100 0.009 0.000 0.968 22 R CB 0.012 30.315 30.300 0.006 0.000 0.863 22 R HN 0.351 nan 8.270 nan 0.000 0.444 23 E N -1.484 118.726 120.200 0.016 0.000 2.479 23 E HA 0.112 4.462 4.350 -0.001 0.000 0.193 23 E C 0.498 177.110 176.600 0.020 0.000 1.049 23 E CA 0.352 56.762 56.400 0.017 0.000 0.870 23 E CB 0.803 30.514 29.700 0.018 0.000 0.944 23 E HN 0.613 nan 8.360 nan 0.000 0.492 24 G N 2.124 110.938 108.800 0.024 0.000 2.176 24 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.252 24 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.252 24 G C 0.121 175.042 174.900 0.034 0.000 1.024 24 G CA -0.032 45.084 45.100 0.027 0.000 0.755 24 G HN 0.237 nan 8.290 nan 0.000 0.507 25 I N 0.891 121.484 120.570 0.040 0.000 2.312 25 I HA 0.207 4.377 4.170 -0.001 0.000 0.291 25 I C 0.928 177.083 176.117 0.063 0.000 1.031 25 I CA -0.434 60.895 61.300 0.048 0.000 1.293 25 I CB 1.334 39.364 38.000 0.048 0.000 1.403 25 I HN 0.261 nan 8.210 nan 0.000 0.484 26 Q N 5.614 125.451 119.800 0.063 0.000 2.311 26 Q HA 0.154 4.493 4.340 -0.001 0.000 0.272 26 Q C -0.047 176.012 176.000 0.098 0.000 1.012 26 Q CA -0.037 55.812 55.803 0.077 0.000 0.891 26 Q CB 0.943 29.719 28.738 0.063 0.000 1.201 26 Q HN 0.776 nan 8.270 nan 0.000 0.391 27 T N -0.637 114.001 114.554 0.139 0.000 2.938 27 T HA 0.201 4.551 4.350 -0.001 0.000 0.285 27 T C 0.856 175.642 174.700 0.143 0.000 1.028 27 T CA -0.429 61.778 62.100 0.178 0.000 1.005 27 T CB 1.052 70.114 68.868 0.324 0.000 1.157 27 T HN 0.439 nan 8.240 nan 0.000 0.550 28 V N 0.287 120.235 119.914 0.056 0.000 2.380 28 V HA -0.107 4.013 4.120 -0.001 0.000 0.251 28 V C 1.831 177.885 176.094 -0.067 0.000 1.063 28 V CA 1.679 63.912 62.300 -0.110 0.000 1.055 28 V CB -0.905 30.702 31.823 -0.360 0.000 0.657 28 V HN 0.843 nan 8.190 nan 0.000 0.455 29 W N -0.121 121.244 121.300 0.107 0.000 2.388 29 W HA -0.080 4.580 4.660 -0.000 0.000 0.294 29 W C 2.308 178.913 176.519 0.142 0.000 1.212 29 W CA 1.277 58.715 57.345 0.155 0.000 1.271 29 W CB -0.714 28.817 29.460 0.119 0.000 1.126 29 W HN 0.416 nan 8.180 nan 0.000 0.535 30 D N -0.173 120.411 120.400 0.307 0.000 2.117 30 D HA -0.116 4.524 4.640 -0.001 0.000 0.198 30 D C 2.105 178.483 176.300 0.130 0.000 0.982 30 D CA 1.196 55.304 54.000 0.180 0.000 0.828 30 D CB -0.382 40.502 40.800 0.139 0.000 0.967 30 D HN 0.214 nan 8.370 nan 0.000 0.464 31 R N -0.341 120.233 120.500 0.124 0.000 2.115 31 R HA -0.135 4.204 4.340 -0.001 0.000 0.230 31 R C 2.292 178.669 176.300 0.127 0.000 1.111 31 R CA 0.628 56.784 56.100 0.093 0.000 0.976 31 R CB -0.354 29.985 30.300 0.065 0.000 0.870 31 R HN 0.239 nan 8.270 nan 0.000 0.445 32 Y N 2.184 122.492 120.300 0.012 0.000 2.145 32 Y HA -0.238 4.312 4.550 -0.001 0.000 0.286 32 Y C 2.252 178.176 175.900 0.039 0.000 1.145 32 Y CA 1.787 59.894 58.100 0.011 0.000 1.148 32 Y CB -0.431 38.026 38.460 -0.005 0.000 0.981 32 Y HN -0.047 nan 8.280 nan 0.000 0.507 33 E N 0.486 120.631 120.200 -0.091 0.000 2.085 33 E HA -0.189 4.161 4.350 -0.001 0.000 0.194 33 E C 2.208 178.740 176.600 -0.114 0.000 0.994 33 E CA 1.658 57.949 56.400 -0.182 0.000 0.801 33 E CB -0.647 29.028 29.700 -0.041 0.000 0.743 33 E HN 0.486 nan 8.360 nan 0.000 0.453 34 A N -0.365 122.437 122.820 -0.030 0.000 2.125 34 A HA -0.108 4.212 4.320 -0.001 0.000 0.219 34 A C 2.046 179.620 177.584 -0.017 0.000 1.156 34 A CA 1.573 53.603 52.037 -0.012 0.000 0.671 34 A CB -0.434 18.576 19.000 0.017 0.000 0.794 34 A HN 0.376 nan 8.150 nan 0.000 0.459 35 M N -0.433 119.154 119.600 -0.022 0.000 2.541 35 M HA 0.185 4.665 4.480 -0.001 0.000 0.252 35 M C 0.321 176.602 176.300 -0.033 0.000 1.125 35 M CA 0.520 55.821 55.300 0.001 0.000 1.091 35 M CB -0.134 32.506 32.600 0.067 0.000 1.420 35 M HN 0.130 nan 8.290 nan 0.000 0.486 36 K N 2.199 122.535 120.400 -0.108 0.000 2.326 36 K HA 0.259 4.579 4.320 -0.001 0.000 0.275 36 K C -2.174 174.391 176.600 -0.059 0.000 1.018 36 K CA -1.441 54.779 56.287 -0.112 0.000 0.962 36 K CB -0.107 32.276 32.500 -0.196 0.000 0.953 36 K HN 0.152 nan 8.250 nan 0.000 0.475 37 P HA 0.077 nan 4.420 nan 0.000 0.280 37 P C -0.932 176.364 177.300 -0.007 0.000 1.244 37 P CA -0.383 62.700 63.100 -0.030 0.000 0.784 37 P CB 0.882 32.569 31.700 -0.022 0.000 0.913 38 Q N 0.471 120.276 119.800 0.009 0.000 2.368 38 Q HA 0.186 4.525 4.340 -0.001 0.000 0.237 38 Q C 0.071 176.081 176.000 0.017 0.000 0.987 38 Q CA -0.412 55.408 55.803 0.030 0.000 0.896 38 Q CB 0.835 29.610 28.738 0.062 0.000 1.241 38 Q HN 0.562 nan 8.270 nan 0.000 0.485 39 C N 1.806 121.126 119.300 0.034 0.000 2.638 39 C HA 0.156 4.616 4.460 -0.001 0.000 0.410 39 C C 1.770 176.753 174.990 -0.010 0.000 1.404 39 C CA 0.102 59.147 59.018 0.045 0.000 1.651 39 C CB -0.953 26.852 27.740 0.108 0.000 2.495 39 C HN 0.978 nan 8.230 nan 0.000 0.606 40 G N 3.981 112.704 108.800 -0.128 0.000 2.448 40 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.218 40 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.218 40 G C 1.017 175.754 174.900 -0.271 0.000 1.135 40 G CA 0.597 45.558 45.100 -0.232 0.000 0.784 40 G HN 0.763 nan 8.290 nan 0.000 0.543 41 F N 1.545 121.481 119.950 -0.023 0.000 2.084 41 F HA 0.075 4.602 4.527 -0.000 0.000 0.296 41 F C 2.894 178.671 175.800 -0.038 0.000 1.111 41 F CA 1.067 59.045 58.000 -0.037 0.000 1.224 41 F CB -0.868 38.112 39.000 -0.034 0.000 0.991 41 F HN 0.150 nan 8.300 nan 0.000 0.471 42 G N -0.426 108.464 108.800 0.151 0.000 2.418 42 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 42 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 42 G C 1.534 176.446 174.900 0.020 0.000 1.158 42 G CA 0.879 46.020 45.100 0.069 0.000 0.771 42 G HN 0.364 nan 8.290 nan 0.000 0.545 43 E N -0.110 120.091 120.200 0.002 0.000 2.118 43 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 43 E C 2.737 179.316 176.600 -0.035 0.000 0.992 43 E CA 1.596 57.984 56.400 -0.021 0.000 0.804 43 E CB -0.136 29.546 29.700 -0.030 0.000 0.741 43 E HN 0.620 nan 8.360 nan 0.000 0.458 44 T N -3.756 110.772 114.554 -0.042 0.000 3.081 44 T HA 0.268 4.617 4.350 -0.001 0.000 0.250 44 T C 1.462 176.135 174.700 -0.045 0.000 1.100 44 T CA 0.414 62.480 62.100 -0.056 0.000 1.038 44 T CB 0.786 69.600 68.868 -0.089 0.000 0.962 44 T HN 0.283 nan 8.240 nan 0.000 0.516 45 G N 1.530 110.316 108.800 -0.022 0.000 2.176 45 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.253 45 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.253 45 G C 0.239 175.132 174.900 -0.012 0.000 0.979 45 G CA 0.111 45.198 45.100 -0.023 0.000 0.641 45 G HN 0.584 nan 8.290 nan 0.000 0.530 46 L N 0.835 122.073 121.223 0.025 0.000 2.934 46 L HA 0.506 4.846 4.340 -0.001 0.000 0.233 46 L C 0.709 177.621 176.870 0.070 0.000 1.358 46 L CA -0.364 54.503 54.840 0.046 0.000 1.233 46 L CB 0.227 42.332 42.059 0.077 0.000 1.594 46 L HN 0.372 nan 8.230 nan 0.000 0.439 47 C N 0.102 119.407 119.300 0.009 0.000 2.783 47 C HA 0.686 5.146 4.460 -0.001 0.000 0.312 47 C C -0.649 174.295 174.990 -0.076 0.000 1.182 47 C CA -0.965 58.033 59.018 -0.032 0.000 1.432 47 C CB 1.271 29.017 27.740 0.009 0.000 1.933 47 C HN 0.661 nan 8.230 nan 0.000 0.473 48 C N 5.781 125.017 119.300 -0.106 0.000 2.535 48 C HA 0.740 5.199 4.460 -0.001 0.000 0.319 48 C C 0.243 175.193 174.990 -0.066 0.000 1.171 48 C CA -0.413 58.511 59.018 -0.156 0.000 1.394 48 C CB 0.814 28.413 27.740 -0.235 0.000 1.990 48 C HN 1.052 nan 8.230 nan 0.000 0.466 49 R N 2.744 123.266 120.500 0.037 0.000 2.690 49 R HA 0.221 4.560 4.340 -0.001 0.000 0.419 49 R C 0.686 177.103 176.300 0.195 0.000 1.090 49 R CA -0.185 55.967 56.100 0.087 0.000 1.064 49 R CB -0.119 30.220 30.300 0.065 0.000 1.391 49 R HN 0.817 nan 8.270 nan 0.000 0.586 50 H N -0.676 118.384 119.070 -0.018 0.000 2.547 50 H HA 0.055 4.610 4.556 -0.001 0.000 0.266 50 H C 0.893 176.215 175.328 -0.010 0.000 0.988 50 H CA 0.037 56.078 56.048 -0.012 0.000 1.147 50 H CB 0.357 30.114 29.762 -0.008 0.000 1.365 50 H HN 0.347 nan 8.280 nan 0.000 0.589 51 C N -1.983 117.378 119.300 0.101 0.000 3.332 51 C HA 0.300 4.760 4.460 -0.001 0.000 0.329 51 C C 1.034 176.038 174.990 0.024 0.000 1.434 51 C CA -1.020 58.027 59.018 0.048 0.000 1.314 51 C CB 0.586 28.350 27.740 0.040 0.000 1.664 51 C HN 0.222 nan 8.230 nan 0.000 0.457 52 L N 1.010 122.239 121.223 0.011 0.000 2.599 52 L HA 0.083 4.423 4.340 -0.001 0.000 0.230 52 L C 2.345 179.213 176.870 -0.003 0.000 1.141 52 L CA 0.592 55.433 54.840 0.002 0.000 0.877 52 L CB -0.568 41.491 42.059 -0.001 0.000 1.009 52 L HN 0.783 nan 8.230 nan 0.000 0.447 53 Q N 0.193 119.991 119.800 -0.003 0.000 2.311 53 Q HA 0.038 4.378 4.340 -0.001 0.000 0.203 53 Q C 1.462 177.450 176.000 -0.020 0.000 0.954 53 Q CA 0.497 56.293 55.803 -0.011 0.000 0.885 53 Q CB 0.128 28.859 28.738 -0.011 0.000 0.963 53 Q HN 0.546 nan 8.270 nan 0.000 0.471 54 G N 2.093 110.882 108.800 -0.018 0.000 2.553 54 G HA2 0.230 4.190 3.960 -0.001 0.000 0.278 54 G HA3 0.230 4.190 3.960 -0.001 0.000 0.278 54 G C -2.241 172.640 174.900 -0.032 0.000 1.349 54 G CA -0.861 44.221 45.100 -0.030 0.000 1.037 54 G HN 0.030 nan 8.290 nan 0.000 0.508 55 P HA 0.290 nan 4.420 nan 0.000 0.275 55 P C -0.685 176.560 177.300 -0.091 0.000 1.227 55 P CA -0.240 62.825 63.100 -0.059 0.000 0.781 55 P CB 0.914 32.575 31.700 -0.064 0.000 0.906 56 C N 3.724 122.964 119.300 -0.100 0.000 2.391 56 C HA 0.725 5.185 4.460 -0.001 0.000 0.339 56 C C 0.764 175.651 174.990 -0.172 0.000 1.205 56 C CA -0.314 58.629 59.018 -0.125 0.000 1.937 56 C CB 1.016 28.697 27.740 -0.097 0.000 2.341 56 C HN 0.730 nan 8.230 nan 0.000 0.516 57 R N 1.820 122.183 120.500 -0.229 0.000 2.799 57 R HA 0.854 5.194 4.340 -0.001 0.000 0.270 57 R C -2.053 174.141 176.300 -0.178 0.000 1.010 57 R CA -0.676 55.245 56.100 -0.298 0.000 0.916 57 R CB 1.164 30.987 30.300 -0.795 0.000 1.228 57 R HN 0.654 nan 8.270 nan 0.000 0.469 58 I N 1.353 121.904 120.570 -0.031 0.000 2.499 58 I HA 0.261 4.431 4.170 -0.001 0.000 0.288 58 I C -0.646 175.603 176.117 0.220 0.000 1.048 58 I CA -1.067 60.259 61.300 0.044 0.000 1.062 58 I CB 2.307 40.308 38.000 0.001 0.000 1.238 58 I HN 0.661 nan 8.210 nan 0.000 0.426 59 N N 7.773 126.601 118.700 0.214 0.000 2.447 59 N HA 0.042 4.781 4.740 -0.001 0.000 0.263 59 N C -1.742 173.756 175.510 -0.019 0.000 1.226 59 N CA -0.925 52.253 53.050 0.213 0.000 0.906 59 N CB 0.681 39.259 38.487 0.152 0.000 1.060 59 N HN 0.386 nan 8.380 nan 0.000 0.468 60 P HA -0.139 nan 4.420 nan 0.000 0.216 60 P C -0.647 176.155 177.300 -0.830 0.000 1.154 60 P CA 1.457 64.261 63.100 -0.493 0.000 0.865 60 P CB 0.266 31.689 31.700 -0.462 0.000 0.789 61 F N -3.525 116.424 119.950 -0.002 0.000 2.613 61 F HA 0.601 5.128 4.527 -0.000 0.000 0.310 61 F C 1.049 176.856 175.800 0.012 0.000 1.085 61 F CA 0.024 58.026 58.000 0.002 0.000 0.945 61 F CB 1.620 40.614 39.000 -0.011 0.000 1.298 61 F HN 0.066 nan 8.300 nan 0.000 0.455 62 G N 1.475 110.408 108.800 0.221 0.000 2.545 62 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.211 62 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.211 62 G C -1.187 173.766 174.900 0.089 0.000 1.167 62 G CA -0.378 44.800 45.100 0.129 0.000 1.151 62 G HN 0.541 nan 8.290 nan 0.000 0.581 63 D N 0.837 121.280 120.400 0.071 0.000 2.589 63 D HA 0.526 5.166 4.640 -0.001 0.000 0.268 63 D C 0.544 176.873 176.300 0.047 0.000 1.182 63 D CA -0.463 53.567 54.000 0.051 0.000 1.087 63 D CB 0.068 40.892 40.800 0.041 0.000 1.186 63 D HN 0.574 nan 8.370 nan 0.000 0.620 64 E N 0.971 121.191 120.200 0.032 0.000 2.436 64 E HA 0.115 4.464 4.350 -0.001 0.000 0.262 64 E C -1.931 174.685 176.600 0.027 0.000 1.063 64 E CA -0.869 55.544 56.400 0.022 0.000 0.944 64 E CB 0.153 29.859 29.700 0.010 0.000 0.950 64 E HN 0.167 nan 8.360 nan 0.000 0.444 65 P HA 0.057 nan 4.420 nan 0.000 0.276 65 P C -0.636 176.666 177.300 0.003 0.000 1.230 65 P CA 0.101 63.195 63.100 -0.011 0.000 0.776 65 P CB 0.907 32.577 31.700 -0.051 0.000 0.888 66 K N 0.644 121.042 120.400 -0.005 0.000 2.380 66 K HA 0.297 4.616 4.320 -0.001 0.000 0.198 66 K C 0.271 176.860 176.600 -0.018 0.000 1.070 66 K CA -0.016 56.268 56.287 -0.005 0.000 1.040 66 K CB 1.006 33.507 32.500 0.001 0.000 0.903 66 K HN 0.248 nan 8.250 nan 0.000 0.549 67 V N -0.044 119.855 119.914 -0.025 0.000 3.077 67 V HA 0.498 4.618 4.120 -0.001 0.000 0.299 67 V C -0.895 175.174 176.094 -0.041 0.000 1.276 67 V CA -0.850 61.431 62.300 -0.031 0.000 0.993 67 V CB 1.734 33.544 31.823 -0.023 0.000 1.076 67 V HN 0.242 nan 8.190 nan 0.000 0.434 68 G N 3.395 112.166 108.800 -0.048 0.000 2.664 68 G HA2 0.310 4.270 3.960 -0.001 0.000 0.242 68 G HA3 0.310 4.270 3.960 -0.001 0.000 0.242 68 G C 0.893 175.768 174.900 -0.042 0.000 1.225 68 G CA 0.066 45.134 45.100 -0.055 0.000 0.849 68 G HN 0.870 nan 8.290 nan 0.000 0.581 69 I N 0.493 121.038 120.570 -0.042 0.000 2.208 69 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 69 I C 2.793 178.896 176.117 -0.023 0.000 1.097 69 I CA 1.709 62.990 61.300 -0.032 0.000 1.363 69 I CB -0.176 37.805 38.000 -0.031 0.000 1.051 69 I HN 0.669 nan 8.210 nan 0.000 0.413 70 C N -0.040 119.247 119.300 -0.023 0.000 2.522 70 C HA 0.431 4.890 4.460 -0.001 0.000 0.271 70 C C 1.803 176.783 174.990 -0.015 0.000 1.425 70 C CA -0.056 58.953 59.018 -0.015 0.000 1.751 70 C CB -0.955 26.778 27.740 -0.011 0.000 1.775 70 C HN 0.736 nan 8.230 nan 0.000 0.557 71 G N 0.015 108.803 108.800 -0.021 0.000 2.179 71 G HA2 0.134 4.094 3.960 -0.001 0.000 0.220 71 G HA3 0.134 4.094 3.960 -0.001 0.000 0.220 71 G C 0.246 175.132 174.900 -0.024 0.000 0.990 71 G CA 0.095 45.184 45.100 -0.019 0.000 0.646 71 G HN 1.532 nan 8.290 nan 0.000 0.517 72 A N 1.420 124.221 122.820 -0.031 0.000 2.545 72 A HA 0.564 4.884 4.320 -0.001 0.000 0.253 72 A C 1.199 178.758 177.584 -0.041 0.000 1.074 72 A CA 1.434 53.448 52.037 -0.039 0.000 0.760 72 A CB -0.135 18.831 19.000 -0.057 0.000 1.005 72 A HN 1.806 nan 8.150 nan 0.000 0.506 73 T N 0.079 114.611 114.554 -0.036 0.000 2.788 73 T HA 0.484 4.834 4.350 -0.001 0.000 0.287 73 T C 1.480 176.155 174.700 -0.043 0.000 1.007 73 T CA -0.069 62.011 62.100 -0.034 0.000 1.005 73 T CB 0.988 69.841 68.868 -0.026 0.000 1.012 73 T HN 1.196 nan 8.240 nan 0.000 0.530 74 A N 0.506 123.300 122.820 -0.043 0.000 1.940 74 A HA -0.094 4.226 4.320 -0.001 0.000 0.219 74 A C 2.210 179.765 177.584 -0.047 0.000 1.176 74 A CA 1.787 53.794 52.037 -0.050 0.000 0.631 74 A CB -1.068 17.898 19.000 -0.057 0.000 0.814 74 A HN 0.887 nan 8.150 nan 0.000 0.446 75 E N -0.365 119.813 120.200 -0.037 0.000 2.051 75 E HA -0.094 4.255 4.350 -0.001 0.000 0.192 75 E C 2.052 178.634 176.600 -0.031 0.000 0.991 75 E CA 1.239 57.621 56.400 -0.030 0.000 0.799 75 E CB -0.605 29.083 29.700 -0.020 0.000 0.748 75 E HN 0.343 nan 8.360 nan 0.000 0.449 76 V N 0.761 120.655 119.914 -0.034 0.000 2.307 76 V HA -0.211 3.908 4.120 -0.001 0.000 0.245 76 V C 2.223 178.284 176.094 -0.056 0.000 1.045 76 V CA 1.491 63.770 62.300 -0.036 0.000 1.024 76 V CB -0.409 31.393 31.823 -0.034 0.000 0.651 76 V HN 0.230 nan 8.190 nan 0.000 0.449 77 I N -0.389 120.136 120.570 -0.076 0.000 2.179 77 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 77 I C 2.375 178.438 176.117 -0.090 0.000 1.088 77 I CA 1.299 62.530 61.300 -0.115 0.000 1.357 77 I CB -0.351 37.581 38.000 -0.113 0.000 1.051 77 I HN 0.144 nan 8.210 nan 0.000 0.409 78 V N 0.902 120.779 119.914 -0.062 0.000 2.307 78 V HA -0.282 3.838 4.120 -0.001 0.000 0.245 78 V C 2.680 178.753 176.094 -0.035 0.000 1.045 78 V CA 2.004 64.275 62.300 -0.049 0.000 1.024 78 V CB -0.960 30.834 31.823 -0.048 0.000 0.651 78 V HN 0.494 nan 8.190 nan 0.000 0.449 79 A N -0.099 122.705 122.820 -0.026 0.000 1.902 79 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 79 A C 2.371 179.960 177.584 0.008 0.000 1.181 79 A CA 1.729 53.761 52.037 -0.008 0.000 0.623 79 A CB -0.472 18.526 19.000 -0.003 0.000 0.818 79 A HN 0.511 nan 8.150 nan 0.000 0.443 80 R N -0.929 119.574 120.500 0.006 0.000 2.073 80 R HA -0.101 4.239 4.340 -0.001 0.000 0.234 80 R C 2.436 178.801 176.300 0.107 0.000 1.134 80 R CA 1.184 57.320 56.100 0.060 0.000 0.952 80 R CB -0.713 29.615 30.300 0.047 0.000 0.850 80 R HN 0.527 nan 8.270 nan 0.000 0.433 81 G N 1.522 110.352 108.800 0.050 0.000 2.418 81 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.217 81 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.217 81 G C 1.364 176.287 174.900 0.039 0.000 1.158 81 G CA 0.433 45.574 45.100 0.068 0.000 0.771 81 G HN 0.162 nan 8.290 nan 0.000 0.545 82 L N 0.873 122.102 121.223 0.011 0.000 2.017 82 L HA -0.017 4.322 4.340 -0.001 0.000 0.208 82 L C 2.182 179.065 176.870 0.022 0.000 1.073 82 L CA 2.199 57.038 54.840 -0.001 0.000 0.745 82 L CB -0.550 41.498 42.059 -0.019 0.000 0.894 82 L HN 0.080 nan 8.230 nan 0.000 0.432 83 D N -0.550 119.872 120.400 0.036 0.000 2.123 83 D HA -0.173 4.466 4.640 -0.001 0.000 0.196 83 D C 2.347 178.673 176.300 0.042 0.000 0.992 83 D CA 1.183 55.209 54.000 0.045 0.000 0.833 83 D CB -0.081 40.746 40.800 0.045 0.000 0.954 83 D HN 0.338 nan 8.370 nan 0.000 0.455 84 R N 0.238 120.765 120.500 0.045 0.000 2.120 84 R HA -0.020 4.320 4.340 -0.001 0.000 0.234 84 R C 2.360 178.668 176.300 0.014 0.000 1.123 84 R CA 0.994 57.107 56.100 0.023 0.000 0.975 84 R CB -0.139 30.170 30.300 0.014 0.000 0.866 84 R HN 0.069 nan 8.270 nan 0.000 0.446 85 S N 1.090 116.798 115.700 0.014 0.000 2.368 85 S HA -0.096 4.373 4.470 -0.001 0.000 0.225 85 S C 1.981 176.596 174.600 0.024 0.000 1.030 85 S CA 1.065 59.265 58.200 0.001 0.000 0.999 85 S CB -0.153 63.039 63.200 -0.013 0.000 0.844 85 S HN 0.215 nan 8.310 nan 0.000 0.459 86 I N 1.825 122.421 120.570 0.044 0.000 2.179 86 I HA -0.209 3.961 4.170 -0.001 0.000 0.242 86 I C 2.741 178.907 176.117 0.081 0.000 1.088 86 I CA 1.104 62.450 61.300 0.078 0.000 1.357 86 I CB -0.543 37.511 38.000 0.091 0.000 1.051 86 I HN 0.263 nan 8.210 nan 0.000 0.409 87 A N 0.815 123.670 122.820 0.058 0.000 1.908 87 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 87 A C 2.543 180.153 177.584 0.044 0.000 1.181 87 A CA 2.058 54.126 52.037 0.051 0.000 0.627 87 A CB -0.909 18.110 19.000 0.031 0.000 0.818 87 A HN 0.445 nan 8.150 nan 0.000 0.445 88 A N -0.572 122.263 122.820 0.025 0.000 1.902 88 A HA 0.134 4.454 4.320 -0.001 0.000 0.217 88 A C 2.427 180.027 177.584 0.027 0.000 1.181 88 A CA 1.944 53.988 52.037 0.012 0.000 0.623 88 A CB -1.403 17.589 19.000 -0.015 0.000 0.818 88 A HN 0.738 nan 8.150 nan 0.000 0.443 89 G N -0.399 108.429 108.800 0.047 0.000 2.421 89 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.216 89 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.216 89 G C 1.782 176.703 174.900 0.035 0.000 1.171 89 G CA 1.549 46.672 45.100 0.038 0.000 0.775 89 G HN 0.830 nan 8.290 nan 0.000 0.543 90 A N 1.159 124.052 122.820 0.122 0.000 1.940 90 A HA 0.178 4.498 4.320 -0.001 0.000 0.219 90 A C 2.799 180.455 177.584 0.120 0.000 1.176 90 A CA 2.421 54.553 52.037 0.160 0.000 0.631 90 A CB -0.762 18.321 19.000 0.139 0.000 0.814 90 A HN 0.860 nan 8.150 nan 0.000 0.446 91 A N -0.679 122.183 122.820 0.071 0.000 1.969 91 A HA 0.174 4.494 4.320 -0.001 0.000 0.218 91 A C 2.348 179.940 177.584 0.012 0.000 1.169 91 A CA 1.834 53.902 52.037 0.052 0.000 0.635 91 A CB -1.199 17.814 19.000 0.022 0.000 0.810 91 A HN 0.675 nan 8.150 nan 0.000 0.445 92 G N -1.074 107.700 108.800 -0.043 0.000 2.414 92 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.215 92 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.215 92 G C 1.403 176.281 174.900 -0.035 0.000 1.188 92 G CA 1.117 46.143 45.100 -0.123 0.000 0.783 92 G HN 0.728 nan 8.290 nan 0.000 0.537 93 H N 0.503 119.607 119.070 0.057 0.000 2.389 93 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 93 H C 2.977 178.365 175.328 0.100 0.000 1.081 93 H CA 1.421 57.504 56.048 0.058 0.000 1.345 93 H CB 0.251 30.049 29.762 0.060 0.000 1.393 93 H HN 0.536 nan 8.280 nan 0.000 0.520 94 S N -0.229 115.623 115.700 0.254 0.000 2.436 94 S HA -0.034 4.436 4.470 -0.001 0.000 0.228 94 S C 2.380 177.176 174.600 0.325 0.000 1.014 94 S CA 0.559 58.949 58.200 0.317 0.000 0.950 94 S CB -0.405 62.999 63.200 0.342 0.000 0.784 94 S HN 0.464 nan 8.310 nan 0.000 0.504 95 G N 1.325 110.225 108.800 0.167 0.000 2.421 95 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.216 95 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.216 95 G C 1.232 176.222 174.900 0.151 0.000 1.171 95 G CA 1.051 46.176 45.100 0.042 0.000 0.775 95 G HN 0.756 nan 8.290 nan 0.000 0.543 96 H N 0.768 119.906 119.070 0.113 0.000 2.289 96 H HA -0.077 4.478 4.556 -0.001 0.000 0.296 96 H C 2.797 178.273 175.328 0.246 0.000 1.091 96 H CA 1.762 57.988 56.048 0.297 0.000 1.274 96 H CB -0.066 29.884 29.762 0.313 0.000 1.364 96 H HN 0.331 nan 8.280 nan 0.000 0.490 97 A N 0.915 123.992 122.820 0.428 0.000 1.877 97 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 97 A C 2.330 180.030 177.584 0.195 0.000 1.186 97 A CA 1.758 53.956 52.037 0.269 0.000 0.620 97 A CB -0.675 18.417 19.000 0.153 0.000 0.822 97 A HN 0.541 nan 8.150 nan 0.000 0.443 98 K N -1.023 119.474 120.400 0.162 0.000 2.063 98 K HA -0.269 4.050 4.320 -0.001 0.000 0.208 98 K C 1.990 178.633 176.600 0.073 0.000 1.048 98 K CA 1.874 58.094 56.287 -0.112 0.000 0.928 98 K CB -0.422 31.846 32.500 -0.386 0.000 0.713 98 K HN 0.800 nan 8.250 nan 0.000 0.442 99 H N 0.079 119.205 119.070 0.093 0.000 2.319 99 H HA -0.148 4.408 4.556 -0.000 0.000 0.297 99 H C 2.180 177.569 175.328 0.101 0.000 1.097 99 H CA 1.729 57.863 56.048 0.143 0.000 1.285 99 H CB 0.042 29.913 29.762 0.182 0.000 1.368 99 H HN 0.166 nan 8.280 nan 0.000 0.495 100 L N 0.112 121.418 121.223 0.139 0.000 2.083 100 L HA -0.153 4.187 4.340 -0.001 0.000 0.209 100 L C 2.998 179.864 176.870 -0.005 0.000 1.083 100 L CA 0.854 55.709 54.840 0.026 0.000 0.752 100 L CB -0.388 41.727 42.059 0.092 0.000 0.899 100 L HN 0.395 nan 8.230 nan 0.000 0.433 101 A N -0.906 121.894 122.820 -0.033 0.000 1.902 101 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 101 A C 2.136 179.646 177.584 -0.123 0.000 1.181 101 A CA 1.400 53.366 52.037 -0.118 0.000 0.623 101 A CB -0.729 18.148 19.000 -0.205 0.000 0.818 101 A HN 0.414 nan 8.150 nan 0.000 0.443 102 H N -0.294 118.782 119.070 0.009 0.000 2.387 102 H HA -0.073 4.483 4.556 -0.001 0.000 0.299 102 H C 2.279 177.599 175.328 -0.012 0.000 1.090 102 H CA 1.847 57.899 56.048 0.007 0.000 1.332 102 H CB -0.638 29.136 29.762 0.020 0.000 1.386 102 H HN 0.460 nan 8.280 nan 0.000 0.516 103 T N 1.768 116.365 114.554 0.072 0.000 2.746 103 T HA -0.117 4.233 4.350 -0.001 0.000 0.267 103 T C 2.218 176.858 174.700 -0.101 0.000 1.039 103 T CA 0.928 62.970 62.100 -0.097 0.000 1.142 103 T CB -0.414 68.294 68.868 -0.266 0.000 0.866 103 T HN 0.082 nan 8.240 nan 0.000 0.444 104 L N 1.517 122.697 121.223 -0.070 0.000 2.046 104 L HA 0.015 4.355 4.340 -0.001 0.000 0.208 104 L C 2.340 179.207 176.870 -0.005 0.000 1.077 104 L CA 1.868 56.681 54.840 -0.046 0.000 0.747 104 L CB -0.596 41.440 42.059 -0.039 0.000 0.896 104 L HN 0.092 nan 8.230 nan 0.000 0.432 105 K N -0.390 120.016 120.400 0.010 0.000 2.009 105 K HA -0.245 4.075 4.320 -0.001 0.000 0.210 105 K C 2.170 178.794 176.600 0.040 0.000 1.049 105 K CA 1.913 58.220 56.287 0.033 0.000 0.929 105 K CB -0.094 32.438 32.500 0.054 0.000 0.714 105 K HN 0.320 nan 8.250 nan 0.000 0.440 106 K N 0.052 120.478 120.400 0.043 0.000 2.063 106 K HA -0.156 4.164 4.320 -0.001 0.000 0.208 106 K C 2.180 178.808 176.600 0.048 0.000 1.048 106 K CA 1.411 57.723 56.287 0.041 0.000 0.928 106 K CB -0.221 32.299 32.500 0.033 0.000 0.713 106 K HN 0.237 nan 8.250 nan 0.000 0.442 107 A N 1.150 123.998 122.820 0.047 0.000 1.883 107 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 107 A C 2.355 179.975 177.584 0.060 0.000 1.186 107 A CA 2.104 54.190 52.037 0.082 0.000 0.624 107 A CB -0.845 18.212 19.000 0.095 0.000 0.822 107 A HN 0.230 nan 8.150 nan 0.000 0.444 108 V N -3.101 116.839 119.914 0.042 0.000 3.129 108 V HA -0.059 4.060 4.120 -0.001 0.000 0.259 108 V C 1.643 177.757 176.094 0.034 0.000 1.116 108 V CA 1.645 63.966 62.300 0.036 0.000 1.127 108 V CB -0.814 31.027 31.823 0.029 0.000 0.742 108 V HN 0.579 nan 8.190 nan 0.000 0.474 109 Q N 1.136 120.957 119.800 0.035 0.000 2.403 109 Q HA 0.319 4.659 4.340 -0.001 0.000 0.203 109 Q C 1.607 177.626 176.000 0.032 0.000 0.932 109 Q CA 0.522 56.344 55.803 0.032 0.000 0.945 109 Q CB 0.364 29.122 28.738 0.033 0.000 1.045 109 Q HN 0.917 nan 8.270 nan 0.000 0.511 110 G N 1.507 110.329 108.800 0.037 0.000 2.147 110 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.244 110 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.244 110 G C 0.546 175.469 174.900 0.037 0.000 1.005 110 G CA 0.482 45.603 45.100 0.036 0.000 0.713 110 G HN 0.327 nan 8.290 nan 0.000 0.515 111 K N -0.418 120.008 120.400 0.044 0.000 2.355 111 K HA 0.567 4.887 4.320 -0.001 0.000 0.198 111 K C 0.906 177.541 176.600 0.058 0.000 1.039 111 K CA 0.704 57.015 56.287 0.040 0.000 1.075 111 K CB 1.011 33.531 32.500 0.033 0.000 0.870 111 K HN 0.809 nan 8.250 nan 0.000 0.540 112 A N 0.724 123.599 122.820 0.091 0.000 3.158 112 A HA 0.519 4.838 4.320 -0.001 0.000 0.302 112 A C 0.324 178.023 177.584 0.191 0.000 1.162 112 A CA -0.491 51.644 52.037 0.163 0.000 0.824 112 A CB 0.511 19.636 19.000 0.210 0.000 1.322 112 A HN 0.124 nan 8.150 nan 0.000 0.510 113 A N 0.121 123.002 122.820 0.102 0.000 2.209 113 A HA 0.119 4.439 4.320 -0.001 0.000 0.212 113 A C 1.850 179.448 177.584 0.023 0.000 1.158 113 A CA 1.757 53.831 52.037 0.061 0.000 0.742 113 A CB -0.260 18.757 19.000 0.029 0.000 0.790 113 A HN 0.721 nan 8.150 nan 0.000 0.472 114 S N -1.174 114.520 115.700 -0.010 0.000 2.481 114 S HA 0.064 4.534 4.470 -0.001 0.000 0.231 114 S C -0.060 174.306 174.600 -0.390 0.000 0.996 114 S CA 0.568 58.638 58.200 -0.217 0.000 0.942 114 S CB -0.295 62.699 63.200 -0.343 0.000 0.768 114 S HN 0.631 nan 8.310 nan 0.000 0.520 115 Y N 0.869 121.210 120.300 0.068 0.000 2.509 115 Y HA 0.720 5.270 4.550 -0.000 0.000 0.341 115 Y C 0.106 176.011 175.900 0.008 0.000 1.038 115 Y CA -1.255 56.877 58.100 0.053 0.000 1.089 115 Y CB 1.138 39.627 38.460 0.049 0.000 1.241 115 Y HN 0.032 nan 8.280 nan 0.000 0.468 116 M N 0.477 120.150 119.600 0.121 0.000 2.895 116 M HA 0.536 5.015 4.480 -0.001 0.000 0.271 116 M C -2.099 174.206 176.300 0.008 0.000 1.174 116 M CA -0.820 54.512 55.300 0.054 0.000 0.816 116 M CB 1.780 34.404 32.600 0.040 0.000 1.647 116 M HN 0.502 nan 8.290 nan 0.000 0.506 117 I N 2.542 123.120 120.570 0.013 0.000 2.389 117 I HA 0.130 4.300 4.170 -0.001 0.000 0.295 117 I C 0.898 177.022 176.117 0.012 0.000 1.117 117 I CA 0.038 61.342 61.300 0.007 0.000 1.317 117 I CB 0.374 38.393 38.000 0.032 0.000 1.431 117 I HN 0.699 nan 8.210 nan 0.000 0.521 118 K N 2.924 123.324 120.400 -0.001 0.000 2.242 118 K HA 0.024 4.343 4.320 -0.001 0.000 0.200 118 K C 0.344 176.960 176.600 0.026 0.000 1.050 118 K CA 0.588 56.889 56.287 0.023 0.000 0.981 118 K CB 0.277 32.805 32.500 0.046 0.000 0.795 118 K HN 0.485 nan 8.250 nan 0.000 0.477 119 D N 1.017 121.431 120.400 0.023 0.000 2.462 119 D HA 0.086 4.725 4.640 -0.001 0.000 0.249 119 D C 0.500 176.826 176.300 0.043 0.000 1.117 119 D CA -0.089 53.928 54.000 0.029 0.000 0.900 119 D CB 0.799 41.618 40.800 0.032 0.000 1.039 119 D HN -0.054 nan 8.370 nan 0.000 0.516 120 R N 1.497 122.018 120.500 0.035 0.000 2.092 120 R HA -0.095 4.245 4.340 -0.001 0.000 0.231 120 R C 1.363 177.696 176.300 0.056 0.000 1.119 120 R CA 1.434 57.567 56.100 0.055 0.000 0.970 120 R CB 0.290 30.584 30.300 -0.010 0.000 0.864 120 R HN 0.253 nan 8.270 nan 0.000 0.440 121 T N 0.737 115.294 114.554 0.005 0.000 2.708 121 T HA -0.160 4.190 4.350 -0.001 0.000 0.266 121 T C 1.634 176.377 174.700 0.071 0.000 1.037 121 T CA 1.706 63.810 62.100 0.007 0.000 1.146 121 T CB -0.144 68.721 68.868 -0.006 0.000 0.865 121 T HN 0.203 nan 8.240 nan 0.000 0.435 122 K N 0.855 121.295 120.400 0.067 0.000 2.032 122 K HA -0.057 4.263 4.320 -0.001 0.000 0.209 122 K C 2.105 178.768 176.600 0.106 0.000 1.048 122 K CA 0.927 57.262 56.287 0.080 0.000 0.927 122 K CB -0.659 31.882 32.500 0.068 0.000 0.712 122 K HN 0.175 nan 8.250 nan 0.000 0.441 123 L N 0.796 122.093 121.223 0.123 0.000 1.990 123 L HA -0.233 4.106 4.340 -0.001 0.000 0.213 123 L C 2.040 178.979 176.870 0.116 0.000 1.072 123 L CA 2.025 56.939 54.840 0.124 0.000 0.755 123 L CB -0.792 41.353 42.059 0.143 0.000 0.889 123 L HN 0.406 nan 8.230 nan 0.000 0.432 124 H N -1.010 118.071 119.070 0.019 0.000 2.389 124 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 124 H C 2.350 177.679 175.328 0.002 0.000 1.081 124 H CA 1.511 57.564 56.048 0.009 0.000 1.345 124 H CB 0.027 29.793 29.762 0.006 0.000 1.393 124 H HN 0.600 nan 8.280 nan 0.000 0.520 125 S N 0.739 116.515 115.700 0.126 0.000 2.383 125 S HA -0.098 4.371 4.470 -0.001 0.000 0.227 125 S C 2.209 176.821 174.600 0.020 0.000 1.026 125 S CA 0.760 58.997 58.200 0.061 0.000 0.981 125 S CB -0.645 62.590 63.200 0.058 0.000 0.818 125 S HN 0.264 nan 8.310 nan 0.000 0.472 126 I N 2.474 123.064 120.570 0.035 0.000 2.226 126 I HA -0.136 4.034 4.170 -0.001 0.000 0.245 126 I C 3.093 179.169 176.117 -0.069 0.000 1.100 126 I CA 1.110 62.410 61.300 -0.001 0.000 1.374 126 I CB -0.694 37.360 38.000 0.091 0.000 1.057 126 I HN 0.412 nan 8.210 nan 0.000 0.413 127 A N 0.746 123.538 122.820 -0.047 0.000 1.883 127 A HA -0.296 4.024 4.320 -0.001 0.000 0.217 127 A C 2.382 179.910 177.584 -0.094 0.000 1.186 127 A CA 2.151 54.138 52.037 -0.083 0.000 0.624 127 A CB -0.616 18.313 19.000 -0.118 0.000 0.822 127 A HN 0.356 nan 8.150 nan 0.000 0.444 128 K N -0.657 119.703 120.400 -0.068 0.000 2.032 128 K HA -0.185 4.135 4.320 -0.001 0.000 0.209 128 K C 2.368 178.912 176.600 -0.093 0.000 1.048 128 K CA 1.612 57.862 56.287 -0.061 0.000 0.927 128 K CB -0.210 32.274 32.500 -0.026 0.000 0.712 128 K HN 0.420 nan 8.250 nan 0.000 0.441 129 R N 0.484 120.915 120.500 -0.115 0.000 2.096 129 R HA -0.084 4.256 4.340 -0.001 0.000 0.235 129 R C 2.058 178.219 176.300 -0.232 0.000 1.127 129 R CA 1.274 57.273 56.100 -0.168 0.000 0.968 129 R CB -0.113 30.071 30.300 -0.193 0.000 0.861 129 R HN 0.261 nan 8.270 nan 0.000 0.440 130 L N -0.980 120.088 121.223 -0.258 0.000 2.492 130 L HA 0.140 4.480 4.340 -0.001 0.000 0.223 130 L C 1.231 177.993 176.870 -0.180 0.000 1.132 130 L CA 0.648 55.315 54.840 -0.289 0.000 0.850 130 L CB 0.232 42.097 42.059 -0.324 0.000 0.966 130 L HN 0.546 nan 8.230 nan 0.000 0.454 131 G N 0.766 109.485 108.800 -0.135 0.000 2.132 131 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.234 131 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.234 131 G C 0.155 175.009 174.900 -0.077 0.000 0.989 131 G CA -0.371 44.671 45.100 -0.096 0.000 0.676 131 G HN 0.255 nan 8.290 nan 0.000 0.522 132 I N 2.865 123.385 120.570 -0.082 0.000 2.352 132 I HA 0.265 4.434 4.170 -0.001 0.000 0.290 132 I C -1.487 174.590 176.117 -0.066 0.000 1.036 132 I CA -2.142 59.118 61.300 -0.067 0.000 1.336 132 I CB 1.074 39.034 38.000 -0.066 0.000 1.407 132 I HN -0.077 nan 8.210 nan 0.000 0.497 133 P HA 0.061 nan 4.420 nan 0.000 0.271 133 P C 0.415 177.676 177.300 -0.064 0.000 1.216 133 P CA -0.099 62.973 63.100 -0.047 0.000 0.771 133 P CB 0.893 32.574 31.700 -0.031 0.000 0.864 134 T N -1.879 112.638 114.554 -0.062 0.000 2.999 134 T HA -0.008 4.341 4.350 -0.001 0.000 0.247 134 T C 0.564 175.259 174.700 -0.009 0.000 1.012 134 T CA -0.238 61.809 62.100 -0.089 0.000 1.048 134 T CB -0.503 68.288 68.868 -0.128 0.000 1.020 134 T HN 0.463 nan 8.240 nan 0.000 0.478 135 E N 3.003 123.210 120.200 0.011 0.000 3.072 135 E HA 0.117 4.467 4.350 -0.001 0.000 0.241 135 E C 1.173 177.783 176.600 0.017 0.000 0.962 135 E CA 0.849 57.263 56.400 0.022 0.000 0.955 135 E CB -0.977 28.730 29.700 0.012 0.000 0.899 135 E HN 0.813 nan 8.360 nan 0.000 0.547 136 G N 2.973 111.791 108.800 0.029 0.000 2.153 136 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.252 136 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.252 136 G C -0.085 174.827 174.900 0.020 0.000 0.994 136 G CA 0.370 45.484 45.100 0.023 0.000 0.698 136 G HN 0.556 nan 8.290 nan 0.000 0.521 137 Q N -0.290 119.521 119.800 0.020 0.000 2.266 137 Q HA 0.508 4.848 4.340 -0.001 0.000 0.261 137 Q C 0.297 176.312 176.000 0.024 0.000 0.985 137 Q CA -0.697 55.110 55.803 0.007 0.000 0.873 137 Q CB 1.538 30.262 28.738 -0.023 0.000 1.306 137 Q HN 0.393 nan 8.270 nan 0.000 0.447 138 K N 1.393 121.805 120.400 0.021 0.000 2.401 138 K HA -0.019 4.301 4.320 -0.001 0.000 0.278 138 K C 0.446 177.066 176.600 0.034 0.000 1.018 138 K CA -0.169 56.138 56.287 0.033 0.000 0.981 138 K CB 0.573 33.088 32.500 0.024 0.000 0.933 138 K HN 0.392 nan 8.250 nan 0.000 0.477 139 D N 2.910 123.353 120.400 0.070 0.000 2.133 139 D HA -0.185 4.455 4.640 -0.001 0.000 0.195 139 D C 1.148 177.470 176.300 0.037 0.000 0.997 139 D CA 1.640 55.690 54.000 0.083 0.000 0.840 139 D CB 0.218 41.092 40.800 0.123 0.000 0.947 139 D HN 0.547 nan 8.370 nan 0.000 0.452 140 E N 0.502 120.722 120.200 0.034 0.000 2.110 140 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 140 E C 1.639 178.249 176.600 0.016 0.000 0.988 140 E CA 0.922 57.337 56.400 0.026 0.000 0.804 140 E CB -0.037 29.679 29.700 0.027 0.000 0.745 140 E HN 0.283 nan 8.360 nan 0.000 0.458 141 D N -0.035 120.371 120.400 0.010 0.000 2.149 141 D HA -0.065 4.575 4.640 -0.001 0.000 0.201 141 D C 1.972 178.265 176.300 -0.011 0.000 0.972 141 D CA 0.679 54.681 54.000 0.003 0.000 0.835 141 D CB -0.083 40.717 40.800 0.001 0.000 0.966 141 D HN 0.207 nan 8.370 nan 0.000 0.476 142 I N 1.379 121.928 120.570 -0.034 0.000 2.179 142 I HA -0.245 3.924 4.170 -0.001 0.000 0.242 142 I C 2.515 178.611 176.117 -0.034 0.000 1.088 142 I CA 1.056 62.313 61.300 -0.071 0.000 1.357 142 I CB -0.206 37.687 38.000 -0.179 0.000 1.051 142 I HN -0.085 nan 8.210 nan 0.000 0.409 143 A N 0.601 123.415 122.820 -0.011 0.000 1.933 143 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 143 A C 2.245 179.844 177.584 0.024 0.000 1.175 143 A CA 1.415 53.461 52.037 0.015 0.000 0.628 143 A CB -0.768 18.244 19.000 0.021 0.000 0.814 143 A HN 0.377 nan 8.150 nan 0.000 0.444 144 L N -0.120 121.115 121.223 0.019 0.000 2.042 144 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 144 L C 2.155 179.044 176.870 0.032 0.000 1.076 144 L CA 2.278 57.133 54.840 0.026 0.000 0.749 144 L CB -0.589 41.483 42.059 0.023 0.000 0.893 144 L HN 0.345 nan 8.230 nan 0.000 0.432 145 E N -0.628 119.586 120.200 0.024 0.000 2.106 145 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 145 E C 2.349 178.983 176.600 0.058 0.000 0.984 145 E CA 1.376 57.794 56.400 0.030 0.000 0.806 145 E CB -0.518 29.186 29.700 0.007 0.000 0.750 145 E HN 0.422 nan 8.360 nan 0.000 0.458 146 V N 1.620 121.574 119.914 0.066 0.000 2.295 146 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 146 V C 2.445 178.642 176.094 0.170 0.000 1.049 146 V CA 1.816 64.201 62.300 0.141 0.000 1.024 146 V CB -0.870 31.031 31.823 0.130 0.000 0.648 146 V HN 0.244 nan 8.190 nan 0.000 0.447 147 A N -0.353 122.520 122.820 0.088 0.000 1.902 147 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 147 A C 2.293 179.901 177.584 0.041 0.000 1.181 147 A CA 2.028 54.089 52.037 0.040 0.000 0.623 147 A CB -0.438 18.569 19.000 0.012 0.000 0.818 147 A HN 0.543 nan 8.150 nan 0.000 0.443 148 K N -0.391 120.046 120.400 0.063 0.000 2.057 148 K HA -0.040 4.280 4.320 -0.001 0.000 0.207 148 K C 2.313 178.977 176.600 0.106 0.000 1.049 148 K CA 1.065 57.396 56.287 0.073 0.000 0.931 148 K CB -0.312 32.228 32.500 0.067 0.000 0.714 148 K HN 0.444 nan 8.250 nan 0.000 0.440 149 A N 1.548 124.455 122.820 0.146 0.000 1.902 149 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 149 A C 2.367 180.139 177.584 0.313 0.000 1.181 149 A CA 1.870 54.037 52.037 0.217 0.000 0.623 149 A CB -0.745 18.398 19.000 0.237 0.000 0.818 149 A HN 0.337 nan 8.150 nan 0.000 0.443 150 A N -0.067 122.897 122.820 0.239 0.000 1.865 150 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 150 A C 2.175 179.815 177.584 0.093 0.000 1.191 150 A CA 1.684 53.658 52.037 -0.106 0.000 0.623 150 A CB -0.772 18.067 19.000 -0.268 0.000 0.826 150 A HN 0.484 nan 8.150 nan 0.000 0.444 151 L N -0.836 120.453 121.223 0.109 0.000 2.131 151 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 151 L C 3.022 180.036 176.870 0.239 0.000 1.092 151 L CA 0.930 55.878 54.840 0.180 0.000 0.759 151 L CB -0.513 41.547 42.059 0.002 0.000 0.903 151 L HN 0.455 nan 8.230 nan 0.000 0.435 152 A N -0.510 122.366 122.820 0.094 0.000 2.019 152 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 152 A C 1.808 179.164 177.584 -0.380 0.000 1.164 152 A CA 1.727 53.662 52.037 -0.170 0.000 0.644 152 A CB -0.440 18.543 19.000 -0.027 0.000 0.805 152 A HN 0.299 nan 8.150 nan 0.000 0.449 153 D N -1.246 119.077 120.400 -0.128 0.000 2.378 153 D HA -0.031 4.609 4.640 -0.001 0.000 0.222 153 D C 0.971 177.066 176.300 -0.342 0.000 0.980 153 D CA 0.657 54.533 54.000 -0.207 0.000 0.907 153 D CB -0.300 40.420 40.800 -0.133 0.000 0.899 153 D HN 0.534 nan 8.370 nan 0.000 0.527 154 F N -0.492 119.369 119.950 -0.148 0.000 2.615 154 F HA 0.064 4.590 4.527 -0.001 0.000 0.297 154 F C 0.994 176.827 175.800 0.055 0.000 1.124 154 F CA 0.319 58.306 58.000 -0.022 0.000 1.451 154 F CB 0.017 39.039 39.000 0.037 0.000 1.103 154 F HN 0.050 nan 8.300 nan 0.000 0.569 155 H N -2.982 116.191 119.070 0.172 0.000 2.907 155 H HA 0.511 5.067 4.556 -0.000 0.000 0.361 155 H C -0.631 174.710 175.328 0.022 0.000 1.194 155 H CA -1.530 54.588 56.048 0.116 0.000 1.152 155 H CB 0.193 30.024 29.762 0.115 0.000 1.867 155 H HN -0.092 nan 8.280 nan 0.000 0.561 156 E N 0.703 120.983 120.200 0.134 0.000 2.415 156 E HA 0.213 4.563 4.350 -0.001 0.000 0.262 156 E C -0.360 176.325 176.600 0.141 0.000 1.038 156 E CA 0.093 56.489 56.400 -0.006 0.000 0.921 156 E CB 0.656 30.284 29.700 -0.120 0.000 0.950 156 E HN 0.720 nan 8.360 nan 0.000 0.438 157 K N 0.341 120.762 120.400 0.035 0.000 2.491 157 K HA 0.126 4.446 4.320 -0.001 0.000 0.275 157 K C -0.461 176.143 176.600 0.006 0.000 0.982 157 K CA -0.645 55.676 56.287 0.058 0.000 0.794 157 K CB 0.120 32.657 32.500 0.062 0.000 1.488 157 K HN 0.308 nan 8.250 nan 0.000 0.360 158 D N 0.126 120.531 120.400 0.008 0.000 2.363 158 D HA -0.045 4.595 4.640 -0.001 0.000 0.220 158 D C 0.132 176.419 176.300 -0.020 0.000 0.994 158 D CA 0.667 54.663 54.000 -0.006 0.000 0.890 158 D CB -0.225 40.574 40.800 -0.001 0.000 0.906 158 D HN 0.595 nan 8.370 nan 0.000 0.530 159 T N -2.854 111.683 114.554 -0.029 0.000 2.908 159 T HA 0.574 4.924 4.350 -0.001 0.000 0.290 159 T C -2.750 171.919 174.700 -0.052 0.000 1.034 159 T CA -1.831 60.244 62.100 -0.042 0.000 1.010 159 T CB 2.723 71.561 68.868 -0.049 0.000 1.068 159 T HN -0.220 nan 8.240 nan 0.000 0.481 160 P HA 0.204 nan 4.420 nan 0.000 0.293 160 P C -0.189 177.071 177.300 -0.066 0.000 1.298 160 P CA -0.536 62.529 63.100 -0.058 0.000 0.757 160 P CB 0.300 31.969 31.700 -0.051 0.000 1.262 161 V N 1.654 121.530 119.914 -0.063 0.000 2.409 161 V HA -0.063 4.056 4.120 -0.001 0.000 0.270 161 V C 2.057 178.115 176.094 -0.060 0.000 1.019 161 V CA 0.511 62.775 62.300 -0.059 0.000 1.066 161 V CB -0.902 30.880 31.823 -0.068 0.000 1.021 161 V HN 0.392 nan 8.190 nan 0.000 0.476 162 L N 4.321 125.512 121.223 -0.053 0.000 2.141 162 L HA -0.092 4.248 4.340 -0.001 0.000 0.209 162 L C 1.921 178.638 176.870 -0.256 0.000 1.094 162 L CA 1.419 56.160 54.840 -0.166 0.000 0.763 162 L CB -0.172 41.751 42.059 -0.227 0.000 0.908 162 L HN 0.674 nan 8.230 nan 0.000 0.437 163 W N -0.297 120.868 121.300 -0.225 0.000 2.961 163 W HA 0.002 4.662 4.660 -0.001 0.000 0.240 163 W C 1.634 177.957 176.519 -0.328 0.000 1.305 163 W CA 0.370 57.541 57.345 -0.290 0.000 1.465 163 W CB 0.194 29.519 29.460 -0.225 0.000 1.135 163 W HN 0.059 nan 8.180 nan 0.000 0.688 164 V N -0.546 119.297 119.914 -0.118 0.000 2.743 164 V HA -0.167 3.953 4.120 -0.001 0.000 0.237 164 V C 2.441 178.420 176.094 -0.191 0.000 1.113 164 V CA 2.196 64.397 62.300 -0.164 0.000 1.141 164 V CB -0.664 31.094 31.823 -0.109 0.000 0.873 164 V HN 0.041 nan 8.190 nan 0.000 0.486 165 T N -0.858 113.596 114.554 -0.167 0.000 2.962 165 T HA -0.157 4.192 4.350 -0.001 0.000 0.270 165 T C 1.597 176.184 174.700 -0.190 0.000 1.088 165 T CA 1.837 63.847 62.100 -0.150 0.000 1.127 165 T CB -0.563 68.233 68.868 -0.120 0.000 0.883 165 T HN 0.576 nan 8.240 nan 0.000 0.493 166 T N -0.395 113.996 114.554 -0.271 0.000 3.086 166 T HA 0.266 4.615 4.350 -0.001 0.000 0.250 166 T C 1.612 176.110 174.700 -0.337 0.000 1.074 166 T CA 0.289 62.210 62.100 -0.299 0.000 0.988 166 T CB 0.063 68.709 68.868 -0.371 0.000 0.988 166 T HN 0.480 nan 8.240 nan 0.000 0.530 167 V N -1.842 117.845 119.914 -0.379 0.000 3.645 167 V HA 0.548 4.668 4.120 -0.001 0.000 0.275 167 V C 0.253 176.225 176.094 -0.204 0.000 1.356 167 V CA -0.428 61.623 62.300 -0.416 0.000 1.051 167 V CB -0.328 30.946 31.823 -0.915 0.000 0.828 167 V HN 0.353 nan 8.190 nan 0.000 0.441 168 L N 1.254 122.379 121.223 -0.163 0.000 2.330 168 L HA 0.637 4.976 4.340 -0.001 0.000 0.271 168 L C -2.448 174.379 176.870 -0.073 0.000 1.013 168 L CA -2.130 52.656 54.840 -0.089 0.000 0.816 168 L CB 1.765 43.776 42.059 -0.079 0.000 1.287 168 L HN -0.033 nan 8.230 nan 0.000 0.435 169 P HA 0.077 nan 4.420 nan 0.000 0.267 169 P C -2.139 175.137 177.300 -0.039 0.000 1.200 169 P CA -0.961 62.117 63.100 -0.037 0.000 0.772 169 P CB 0.093 31.782 31.700 -0.020 0.000 0.855 170 P HA -0.253 nan 4.420 nan 0.000 0.217 170 P C 1.536 178.820 177.300 -0.025 0.000 1.151 170 P CA 1.997 65.075 63.100 -0.037 0.000 0.849 170 P CB -0.298 31.380 31.700 -0.035 0.000 0.787 171 S N -0.694 114.995 115.700 -0.018 0.000 2.382 171 S HA -0.193 4.276 4.470 -0.001 0.000 0.228 171 S C 2.134 176.732 174.600 -0.003 0.000 1.027 171 S CA 1.144 59.339 58.200 -0.009 0.000 0.991 171 S CB -0.869 62.328 63.200 -0.004 0.000 0.823 171 S HN -0.033 nan 8.310 nan 0.000 0.469 172 R N 1.779 122.276 120.500 -0.005 0.000 2.066 172 R HA 0.089 4.428 4.340 -0.001 0.000 0.232 172 R C 2.099 178.399 176.300 0.000 0.000 1.131 172 R CA 1.772 57.873 56.100 0.003 0.000 0.955 172 R CB -1.523 28.775 30.300 -0.003 0.000 0.851 172 R HN 0.354 nan 8.270 nan 0.000 0.432 173 V N 1.468 121.371 119.914 -0.018 0.000 2.392 173 V HA -0.237 3.883 4.120 -0.001 0.000 0.249 173 V C 2.459 178.547 176.094 -0.011 0.000 1.059 173 V CA 2.209 64.496 62.300 -0.023 0.000 1.051 173 V CB -0.577 31.220 31.823 -0.044 0.000 0.658 173 V HN 0.416 nan 8.190 nan 0.000 0.455 174 K N -0.049 120.344 120.400 -0.011 0.000 2.026 174 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 174 K C 2.108 178.708 176.600 -0.000 0.000 1.048 174 K CA 1.560 57.840 56.287 -0.012 0.000 0.929 174 K CB -0.185 32.306 32.500 -0.015 0.000 0.713 174 K HN 0.317 nan 8.250 nan 0.000 0.439 175 V N 1.842 121.770 119.914 0.023 0.000 2.287 175 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 175 V C 2.315 178.484 176.094 0.125 0.000 1.053 175 V CA 1.696 64.037 62.300 0.069 0.000 1.027 175 V CB -0.346 31.528 31.823 0.086 0.000 0.646 175 V HN 0.325 nan 8.190 nan 0.000 0.447 176 L N -0.522 120.753 121.223 0.088 0.000 2.056 176 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 176 L C 2.692 179.609 176.870 0.078 0.000 1.078 176 L CA 1.758 56.657 54.840 0.098 0.000 0.749 176 L CB -0.693 41.397 42.059 0.051 0.000 0.901 176 L HN 0.329 nan 8.230 nan 0.000 0.433 177 S N -0.257 115.460 115.700 0.029 0.000 2.382 177 S HA -0.179 4.290 4.470 -0.001 0.000 0.228 177 S C 2.120 176.713 174.600 -0.013 0.000 1.027 177 S CA 1.213 59.417 58.200 0.007 0.000 0.991 177 S CB -0.111 63.082 63.200 -0.012 0.000 0.823 177 S HN 0.441 nan 8.310 nan 0.000 0.469 178 A N 0.515 123.305 122.820 -0.052 0.000 1.972 178 A HA -0.105 4.215 4.320 -0.001 0.000 0.219 178 A C 1.698 179.145 177.584 -0.229 0.000 1.169 178 A CA 1.350 53.292 52.037 -0.158 0.000 0.635 178 A CB -0.692 18.166 19.000 -0.236 0.000 0.810 178 A HN 0.725 nan 8.150 nan 0.000 0.446 179 H N -1.286 117.789 119.070 0.008 0.000 2.529 179 H HA 0.256 4.812 4.556 -0.001 0.000 0.277 179 H C 1.529 176.866 175.328 0.015 0.000 1.004 179 H CA 0.429 56.485 56.048 0.013 0.000 1.167 179 H CB -0.078 29.694 29.762 0.017 0.000 1.445 179 H HN 0.602 nan 8.280 nan 0.000 0.554 180 G N 1.567 110.419 108.800 0.086 0.000 2.198 180 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.260 180 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.260 180 G C 0.934 175.877 174.900 0.072 0.000 1.025 180 G CA 0.440 45.578 45.100 0.063 0.000 0.769 180 G HN 0.442 nan 8.290 nan 0.000 0.507 181 L N -0.239 121.034 121.223 0.083 0.000 2.592 181 L HA 0.291 4.631 4.340 -0.001 0.000 0.227 181 L C 1.036 177.936 176.870 0.049 0.000 1.127 181 L CA -0.369 54.514 54.840 0.071 0.000 0.884 181 L CB -0.016 42.090 42.059 0.079 0.000 1.065 181 L HN 0.174 nan 8.230 nan 0.000 0.457 182 I N 2.518 123.109 120.570 0.035 0.000 2.452 182 I HA 0.148 4.317 4.170 -0.001 0.000 0.287 182 I C -1.906 174.222 176.117 0.019 0.000 1.079 182 I CA -2.257 59.050 61.300 0.013 0.000 1.387 182 I CB 0.169 38.166 38.000 -0.005 0.000 1.404 182 I HN -0.185 nan 8.210 nan 0.000 0.522 183 P HA 0.100 nan 4.420 nan 0.000 0.268 183 P C 0.312 177.621 177.300 0.014 0.000 1.205 183 P CA -0.174 62.947 63.100 0.034 0.000 0.771 183 P CB 0.859 32.571 31.700 0.019 0.000 0.858 184 A N 2.625 125.469 122.820 0.040 0.000 2.021 184 A HA 0.423 4.742 4.320 -0.001 0.000 0.216 184 A C 1.020 178.561 177.584 -0.072 0.000 1.163 184 A CA 1.368 53.376 52.037 -0.049 0.000 0.676 184 A CB -0.596 18.308 19.000 -0.159 0.000 0.818 184 A HN 0.681 nan 8.150 nan 0.000 0.453 185 G N -1.808 107.001 108.800 0.014 0.000 2.691 185 G HA2 0.433 4.392 3.960 -0.001 0.000 0.298 185 G HA3 0.433 4.392 3.960 -0.001 0.000 0.298 185 G C 0.227 175.164 174.900 0.062 0.000 1.471 185 G CA -0.517 44.590 45.100 0.013 0.000 0.912 185 G HN -0.026 nan 8.290 nan 0.000 0.553 186 I N 0.467 120.996 120.570 -0.068 0.000 2.113 186 I HA -0.096 4.074 4.170 -0.001 0.000 0.238 186 I C 2.055 178.236 176.117 0.108 0.000 1.070 186 I CA 1.157 62.415 61.300 -0.070 0.000 1.332 186 I CB 0.072 37.844 38.000 -0.380 0.000 1.044 186 I HN 0.404 nan 8.210 nan 0.000 0.402 187 D N -0.703 119.835 120.400 0.230 0.000 2.224 187 D HA -0.192 4.448 4.640 -0.001 0.000 0.205 187 D C 1.911 178.317 176.300 0.177 0.000 0.965 187 D CA 1.083 55.220 54.000 0.229 0.000 0.852 187 D CB -0.386 40.578 40.800 0.273 0.000 0.947 187 D HN 0.431 nan 8.370 nan 0.000 0.494 188 H N 1.351 120.489 119.070 0.114 0.000 2.319 188 H HA -0.100 4.456 4.556 -0.001 0.000 0.299 188 H C 1.714 177.086 175.328 0.075 0.000 1.092 188 H CA 1.824 57.927 56.048 0.092 0.000 1.302 188 H CB 0.320 30.133 29.762 0.086 0.000 1.373 188 H HN -0.069 nan 8.280 nan 0.000 0.497 189 E N 0.339 120.579 120.200 0.066 0.000 2.106 189 E HA -0.114 4.236 4.350 -0.001 0.000 0.192 189 E C 2.611 179.204 176.600 -0.011 0.000 0.984 189 E CA 1.051 57.455 56.400 0.007 0.000 0.806 189 E CB -0.188 29.560 29.700 0.080 0.000 0.750 189 E HN 0.607 nan 8.360 nan 0.000 0.458 190 I N 1.293 121.880 120.570 0.028 0.000 2.163 190 I HA -0.287 3.883 4.170 -0.001 0.000 0.243 190 I C 2.506 178.625 176.117 0.003 0.000 1.085 190 I CA 1.301 62.620 61.300 0.031 0.000 1.347 190 I CB -0.361 37.674 38.000 0.058 0.000 1.044 190 I HN 0.007 nan 8.210 nan 0.000 0.408 191 A N 0.035 122.847 122.820 -0.013 0.000 1.902 191 A HA -0.267 4.053 4.320 -0.001 0.000 0.217 191 A C 2.317 179.886 177.584 -0.026 0.000 1.181 191 A CA 1.922 53.945 52.037 -0.024 0.000 0.623 191 A CB -0.654 18.330 19.000 -0.027 0.000 0.818 191 A HN 0.494 nan 8.150 nan 0.000 0.443 192 E N -0.381 119.757 120.200 -0.104 0.000 2.110 192 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 192 E C 1.831 178.421 176.600 -0.017 0.000 0.988 192 E CA 1.078 57.434 56.400 -0.074 0.000 0.804 192 E CB -0.116 29.468 29.700 -0.193 0.000 0.745 192 E HN 0.506 nan 8.360 nan 0.000 0.458 193 I N 0.963 121.524 120.570 -0.014 0.000 2.163 193 I HA -0.290 3.880 4.170 -0.001 0.000 0.243 193 I C 2.361 178.488 176.117 0.016 0.000 1.085 193 I CA 1.226 62.530 61.300 0.005 0.000 1.347 193 I CB -0.911 37.099 38.000 0.016 0.000 1.044 193 I HN 0.329 nan 8.210 nan 0.000 0.408 194 M N -0.792 118.819 119.600 0.017 0.000 2.159 194 M HA -0.208 4.272 4.480 -0.001 0.000 0.263 194 M C 2.315 178.652 176.300 0.061 0.000 1.063 194 M CA 1.519 56.823 55.300 0.008 0.000 1.110 194 M CB -1.755 30.838 32.600 -0.011 0.000 1.374 194 M HN 0.397 nan 8.290 nan 0.000 0.411 195 H N 1.011 120.057 119.070 -0.040 0.000 2.270 195 H HA -0.155 4.401 4.556 -0.001 0.000 0.299 195 H C 2.310 177.632 175.328 -0.011 0.000 1.077 195 H CA 1.862 57.894 56.048 -0.028 0.000 1.294 195 H CB 0.091 29.833 29.762 -0.033 0.000 1.371 195 H HN 0.374 nan 8.280 nan 0.000 0.491 196 R N 0.717 121.167 120.500 -0.083 0.000 2.193 196 R HA -0.069 4.270 4.340 -0.001 0.000 0.229 196 R C 1.806 178.087 176.300 -0.032 0.000 1.110 196 R CA 1.726 57.730 56.100 -0.160 0.000 0.988 196 R CB -0.553 29.668 30.300 -0.132 0.000 0.871 196 R HN 0.373 nan 8.270 nan 0.000 0.458 197 T N -1.380 113.192 114.554 0.029 0.000 3.081 197 T HA 0.069 4.418 4.350 -0.001 0.000 0.250 197 T C 0.987 175.788 174.700 0.169 0.000 1.100 197 T CA 0.027 62.186 62.100 0.099 0.000 1.038 197 T CB 0.028 68.966 68.868 0.116 0.000 0.962 197 T HN 0.343 nan 8.240 nan 0.000 0.516 198 S N 1.922 117.681 115.700 0.098 0.000 2.608 198 S HA 0.413 4.883 4.470 -0.001 0.000 0.261 198 S C 0.519 175.190 174.600 0.118 0.000 1.314 198 S CA -0.973 57.287 58.200 0.099 0.000 0.992 198 S CB 0.181 63.428 63.200 0.079 0.000 0.935 198 S HN 0.360 nan 8.310 nan 0.000 0.564 199 M N 1.626 121.290 119.600 0.106 0.000 2.251 199 M HA 0.254 4.734 4.480 -0.001 0.000 0.343 199 M C 1.196 177.530 176.300 0.056 0.000 1.245 199 M CA 1.867 57.214 55.300 0.078 0.000 1.061 199 M CB -0.758 31.880 32.600 0.063 0.000 1.723 199 M HN 1.536 nan 8.290 nan 0.000 0.449 200 G N 3.899 112.721 108.800 0.038 0.000 2.176 200 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.252 200 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.252 200 G C 0.209 175.123 174.900 0.024 0.000 1.024 200 G CA 0.172 45.288 45.100 0.026 0.000 0.755 200 G HN 0.828 nan 8.290 nan 0.000 0.507 201 C N -1.218 118.092 119.300 0.017 0.000 2.951 201 C HA 0.631 5.090 4.460 -0.001 0.000 0.079 201 C C 0.944 175.917 174.990 -0.028 0.000 2.346 201 C CA 0.068 59.076 59.018 -0.016 0.000 1.858 201 C CB 0.151 27.863 27.740 -0.047 0.000 2.913 201 C HN 0.554 nan 8.230 nan 0.000 0.359 202 D N 0.568 120.941 120.400 -0.045 0.000 2.425 202 D HA 0.455 5.095 4.640 -0.001 0.000 0.247 202 D C -0.153 176.139 176.300 -0.015 0.000 1.147 202 D CA 0.449 54.428 54.000 -0.034 0.000 0.879 202 D CB 0.685 41.460 40.800 -0.042 0.000 1.179 202 D HN 0.613 nan 8.370 nan 0.000 0.456 203 A N 3.539 126.351 122.820 -0.012 0.000 3.106 203 A HA 0.261 4.581 4.320 -0.001 0.000 0.227 203 A C -0.500 177.079 177.584 -0.009 0.000 0.920 203 A CA -0.639 51.392 52.037 -0.010 0.000 1.088 203 A CB 0.095 19.089 19.000 -0.010 0.000 1.233 203 A HN 0.487 nan 8.150 nan 0.000 0.503 204 D N -0.400 119.996 120.400 -0.006 0.000 2.788 204 D HA 0.633 5.273 4.640 -0.001 0.000 0.247 204 D C 1.029 177.329 176.300 -0.000 0.000 1.236 204 D CA 0.299 54.297 54.000 -0.003 0.000 0.898 204 D CB 1.790 42.590 40.800 0.000 0.000 1.401 204 D HN 0.122 nan 8.370 nan 0.000 0.549 205 A N 3.269 126.089 122.820 -0.001 0.000 1.883 205 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 205 A C 1.904 179.492 177.584 0.008 0.000 1.186 205 A CA 1.851 53.889 52.037 0.001 0.000 0.624 205 A CB -0.627 18.372 19.000 -0.002 0.000 0.822 205 A HN 0.637 nan 8.150 nan 0.000 0.444 206 Q N 0.220 120.026 119.800 0.010 0.000 2.050 206 Q HA -0.197 4.142 4.340 -0.001 0.000 0.202 206 Q C 1.914 177.925 176.000 0.017 0.000 0.980 206 Q CA 2.299 58.111 55.803 0.015 0.000 0.840 206 Q CB -0.488 28.259 28.738 0.015 0.000 0.898 206 Q HN 0.657 nan 8.270 nan 0.000 0.424 207 N N -0.732 117.977 118.700 0.015 0.000 2.120 207 N HA -0.104 4.635 4.740 -0.001 0.000 0.188 207 N C 1.515 177.033 175.510 0.014 0.000 1.024 207 N CA 1.298 54.358 53.050 0.015 0.000 0.852 207 N CB -0.209 38.283 38.487 0.008 0.000 1.003 207 N HN 0.330 nan 8.380 nan 0.000 0.424 208 L N -0.096 121.133 121.223 0.011 0.000 2.046 208 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 208 L C 2.131 179.015 176.870 0.024 0.000 1.077 208 L CA 0.855 55.703 54.840 0.013 0.000 0.747 208 L CB -0.308 41.757 42.059 0.010 0.000 0.896 208 L HN 0.244 nan 8.230 nan 0.000 0.432 209 L N -0.990 120.249 121.223 0.026 0.000 2.109 209 L HA -0.194 4.145 4.340 -0.001 0.000 0.207 209 L C 2.432 179.327 176.870 0.042 0.000 1.086 209 L CA 0.849 55.712 54.840 0.037 0.000 0.760 209 L CB -0.366 41.715 42.059 0.037 0.000 0.910 209 L HN 0.256 nan 8.230 nan 0.000 0.437 210 L N -0.368 120.875 121.223 0.034 0.000 2.042 210 L HA -0.163 4.177 4.340 -0.001 0.000 0.210 210 L C 2.701 179.598 176.870 0.045 0.000 1.076 210 L CA 1.471 56.333 54.840 0.037 0.000 0.749 210 L CB -1.245 40.837 42.059 0.039 0.000 0.893 210 L HN 0.323 nan 8.230 nan 0.000 0.432 211 G N -0.204 108.619 108.800 0.039 0.000 2.446 211 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 211 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 211 G C 1.589 176.519 174.900 0.051 0.000 1.168 211 G CA 0.830 45.954 45.100 0.039 0.000 0.771 211 G HN 0.496 nan 8.290 nan 0.000 0.551 212 G N 0.922 109.755 108.800 0.055 0.000 2.446 212 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.217 212 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.217 212 G C 1.816 176.772 174.900 0.092 0.000 1.168 212 G CA 0.866 46.010 45.100 0.072 0.000 0.771 212 G HN 0.430 nan 8.290 nan 0.000 0.551 213 L N -0.204 121.071 121.223 0.086 0.000 2.046 213 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 213 L C 2.929 179.856 176.870 0.095 0.000 1.077 213 L CA 1.569 56.465 54.840 0.094 0.000 0.747 213 L CB -0.471 41.627 42.059 0.066 0.000 0.896 213 L HN 0.222 nan 8.230 nan 0.000 0.432 214 R N -0.358 120.188 120.500 0.078 0.000 2.081 214 R HA -0.208 4.131 4.340 -0.001 0.000 0.235 214 R C 2.528 178.876 176.300 0.080 0.000 1.131 214 R CA 1.950 58.094 56.100 0.073 0.000 0.960 214 R CB -0.581 29.759 30.300 0.067 0.000 0.856 214 R HN 0.409 nan 8.270 nan 0.000 0.436 215 C N 0.770 120.121 119.300 0.085 0.000 2.435 215 C HA -0.042 4.418 4.460 -0.001 0.000 0.279 215 C C 3.033 178.101 174.990 0.129 0.000 1.321 215 C CA 1.314 60.387 59.018 0.091 0.000 1.752 215 C CB -0.968 26.820 27.740 0.080 0.000 1.959 215 C HN 0.783 nan 8.230 nan 0.000 0.500 216 S N 0.302 116.100 115.700 0.162 0.000 2.402 216 S HA -0.083 4.386 4.470 -0.001 0.000 0.229 216 S C 1.756 176.516 174.600 0.266 0.000 1.021 216 S CA 1.562 59.920 58.200 0.263 0.000 0.974 216 S CB -0.706 62.658 63.200 0.272 0.000 0.800 216 S HN 0.687 nan 8.310 nan 0.000 0.484 217 L N 1.115 122.423 121.223 0.141 0.000 2.141 217 L HA 0.056 4.395 4.340 -0.001 0.000 0.209 217 L C 3.182 180.038 176.870 -0.023 0.000 1.094 217 L CA 0.915 55.770 54.840 0.026 0.000 0.763 217 L CB -0.827 41.240 42.059 0.014 0.000 0.908 217 L HN 0.478 nan 8.230 nan 0.000 0.437 218 A N 0.266 123.101 122.820 0.025 0.000 1.902 218 A HA -0.306 4.014 4.320 -0.001 0.000 0.217 218 A C 1.953 179.546 177.584 0.014 0.000 1.181 218 A CA 2.208 54.245 52.037 -0.001 0.000 0.623 218 A CB -0.654 18.364 19.000 0.029 0.000 0.818 218 A HN 0.465 nan 8.150 nan 0.000 0.443 219 D N -0.783 119.685 120.400 0.113 0.000 2.097 219 D HA -0.169 4.470 4.640 -0.001 0.000 0.195 219 D C 1.809 178.143 176.300 0.057 0.000 0.989 219 D CA 1.393 55.520 54.000 0.211 0.000 0.827 219 D CB -0.158 40.898 40.800 0.425 0.000 0.966 219 D HN 0.238 nan 8.370 nan 0.000 0.456 220 L N 0.699 121.779 121.223 -0.238 0.000 2.013 220 L HA -0.108 4.232 4.340 -0.001 0.000 0.212 220 L C 2.162 178.837 176.870 -0.324 0.000 1.073 220 L CA 2.316 56.689 54.840 -0.779 0.000 0.753 220 L CB -1.193 40.181 42.059 -1.142 0.000 0.890 220 L HN 0.129 nan 8.230 nan 0.000 0.432 221 A N -0.517 122.192 122.820 -0.185 0.000 1.883 221 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 221 A C 2.373 179.886 177.584 -0.118 0.000 1.186 221 A CA 1.770 53.757 52.037 -0.082 0.000 0.624 221 A CB -1.654 17.291 19.000 -0.091 0.000 0.822 221 A HN 0.560 nan 8.150 nan 0.000 0.444 222 G N -1.025 107.702 108.800 -0.121 0.000 2.418 222 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.217 222 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.217 222 G C 1.592 176.445 174.900 -0.078 0.000 1.158 222 G CA 1.310 46.362 45.100 -0.080 0.000 0.771 222 G HN 0.532 nan 8.290 nan 0.000 0.545 223 C N -0.986 118.252 119.300 -0.104 0.000 2.432 223 C HA -0.020 4.439 4.460 -0.001 0.000 0.277 223 C C 2.385 177.324 174.990 -0.085 0.000 1.249 223 C CA 0.725 59.641 59.018 -0.170 0.000 1.725 223 C CB -1.071 26.550 27.740 -0.197 0.000 2.028 223 C HN 0.518 nan 8.230 nan 0.000 0.477 224 Y N 0.723 120.940 120.300 -0.139 0.000 2.200 224 Y HA -0.167 4.383 4.550 -0.001 0.000 0.290 224 Y C 2.611 178.518 175.900 0.011 0.000 1.137 224 Y CA 1.744 59.839 58.100 -0.009 0.000 1.163 224 Y CB -0.542 37.966 38.460 0.079 0.000 0.988 224 Y HN 0.275 nan 8.280 nan 0.000 0.518 225 M N -0.896 118.662 119.600 -0.070 0.000 2.117 225 M HA -0.142 4.338 4.480 -0.001 0.000 0.262 225 M C 2.238 178.430 176.300 -0.180 0.000 1.065 225 M CA 2.149 57.112 55.300 -0.561 0.000 1.114 225 M CB -0.631 31.377 32.600 -0.986 0.000 1.361 225 M HN 0.351 nan 8.290 nan 0.000 0.408 226 G N -0.775 107.968 108.800 -0.096 0.000 2.418 226 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 226 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 226 G C 1.311 176.236 174.900 0.042 0.000 1.158 226 G CA 1.452 46.548 45.100 -0.006 0.000 0.771 226 G HN 0.470 nan 8.290 nan 0.000 0.545 227 T N 0.775 115.327 114.554 -0.003 0.000 2.737 227 T HA -0.059 4.290 4.350 -0.001 0.000 0.265 227 T C 2.037 176.774 174.700 0.061 0.000 1.038 227 T CA 1.340 63.445 62.100 0.009 0.000 1.144 227 T CB -0.276 68.535 68.868 -0.095 0.000 0.866 227 T HN 0.123 nan 8.240 nan 0.000 0.434 228 D N 1.157 121.630 120.400 0.122 0.000 2.092 228 D HA -0.046 4.594 4.640 -0.001 0.000 0.193 228 D C 2.146 178.530 176.300 0.140 0.000 0.994 228 D CA 0.956 55.079 54.000 0.205 0.000 0.828 228 D CB -0.400 40.670 40.800 0.450 0.000 0.963 228 D HN 0.291 nan 8.370 nan 0.000 0.450 229 L N 0.407 121.692 121.223 0.102 0.000 2.056 229 L HA -0.120 4.219 4.340 -0.001 0.000 0.207 229 L C 2.546 179.437 176.870 0.036 0.000 1.078 229 L CA 1.099 55.971 54.840 0.053 0.000 0.749 229 L CB -0.419 41.649 42.059 0.016 0.000 0.901 229 L HN -0.029 nan 8.230 nan 0.000 0.433 230 A N -0.142 122.750 122.820 0.119 0.000 1.933 230 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 230 A C 1.903 179.585 177.584 0.163 0.000 1.175 230 A CA 2.007 54.183 52.037 0.232 0.000 0.628 230 A CB -0.489 18.704 19.000 0.321 0.000 0.814 230 A HN 0.342 nan 8.150 nan 0.000 0.444 231 D N -0.018 120.444 120.400 0.104 0.000 2.117 231 D HA -0.094 4.546 4.640 -0.001 0.000 0.198 231 D C 1.833 178.153 176.300 0.033 0.000 0.982 231 D CA 1.030 55.075 54.000 0.074 0.000 0.828 231 D CB -0.333 40.503 40.800 0.061 0.000 0.967 231 D HN 0.518 nan 8.370 nan 0.000 0.464 232 I N 0.334 120.913 120.570 0.014 0.000 2.163 232 I HA -0.256 3.913 4.170 -0.001 0.000 0.243 232 I C 2.331 178.389 176.117 -0.098 0.000 1.085 232 I CA 0.878 62.171 61.300 -0.012 0.000 1.347 232 I CB -0.119 37.884 38.000 0.006 0.000 1.044 232 I HN -0.010 nan 8.210 nan 0.000 0.408 233 L N -1.002 120.062 121.223 -0.265 0.000 2.109 233 L HA -0.114 4.226 4.340 -0.001 0.000 0.207 233 L C 1.616 178.125 176.870 -0.602 0.000 1.086 233 L CA 1.246 55.727 54.840 -0.597 0.000 0.760 233 L CB -0.138 41.220 42.059 -1.169 0.000 0.910 233 L HN 0.178 nan 8.230 nan 0.000 0.437 234 F N -1.034 118.974 119.950 0.097 0.000 2.767 234 F HA 0.475 5.002 4.527 -0.001 0.000 0.323 234 F C 0.937 176.771 175.800 0.057 0.000 1.091 234 F CA -0.120 57.939 58.000 0.099 0.000 1.192 234 F CB 0.295 39.359 39.000 0.107 0.000 1.056 234 F HN -0.047 nan 8.300 nan 0.000 0.571 235 G N 0.693 109.579 108.800 0.143 0.000 2.906 235 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.686 235 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.686 235 G C -0.524 174.400 174.900 0.040 0.000 1.170 235 G CA -1.127 44.017 45.100 0.074 0.000 0.775 235 G HN -0.039 nan 8.290 nan 0.000 0.630 236 T N 4.534 119.100 114.554 0.019 0.000 2.834 236 T HA 0.480 4.829 4.350 -0.001 0.000 0.298 236 T C -1.640 173.038 174.700 -0.035 0.000 0.966 236 T CA -0.147 61.954 62.100 0.001 0.000 1.141 236 T CB 0.988 69.860 68.868 0.006 0.000 0.905 236 T HN 0.502 nan 8.240 nan 0.000 0.535 237 P HA 0.365 nan 4.420 nan 0.000 0.267 237 P C -0.975 176.256 177.300 -0.115 0.000 1.200 237 P CA -0.184 62.850 63.100 -0.110 0.000 0.772 237 P CB 0.470 32.094 31.700 -0.126 0.000 0.855 238 A N 3.615 126.344 122.820 -0.151 0.000 2.479 238 A HA 0.729 5.049 4.320 -0.001 0.000 0.296 238 A C -2.774 174.643 177.584 -0.278 0.000 1.121 238 A CA -2.008 49.921 52.037 -0.180 0.000 0.743 238 A CB 0.399 19.330 19.000 -0.115 0.000 1.323 238 A HN 0.300 nan 8.150 nan 0.000 0.415 239 P HA 0.251 nan 4.420 nan 0.000 0.262 239 P C -0.730 176.418 177.300 -0.252 0.000 1.182 239 P CA 0.452 63.262 63.100 -0.483 0.000 0.761 239 P CB 0.596 32.026 31.700 -0.451 0.000 0.795 240 V N 4.329 124.112 119.914 -0.218 0.000 3.087 240 V HA 0.462 4.582 4.120 -0.001 0.000 0.306 240 V C -1.151 174.906 176.094 -0.062 0.000 1.187 240 V CA -0.820 61.412 62.300 -0.114 0.000 0.999 240 V CB 2.763 34.520 31.823 -0.111 0.000 1.049 240 V HN 0.121 nan 8.190 nan 0.000 0.431 241 V N 4.654 124.553 119.914 -0.026 0.000 2.495 241 V HA 0.846 4.966 4.120 -0.001 0.000 0.298 241 V C 0.143 176.241 176.094 0.007 0.000 1.031 241 V CA 0.196 62.499 62.300 0.005 0.000 0.871 241 V CB 1.442 33.272 31.823 0.012 0.000 0.988 241 V HN 1.112 nan 8.190 nan 0.000 0.432 242 T N 3.228 117.795 114.554 0.021 0.000 2.606 242 T HA 0.555 4.905 4.350 -0.001 0.000 0.289 242 T C -1.529 173.190 174.700 0.031 0.000 1.113 242 T CA -0.391 61.721 62.100 0.021 0.000 1.106 242 T CB 1.901 70.779 68.868 0.017 0.000 1.611 242 T HN 0.740 nan 8.240 nan 0.000 0.471 243 E N 0.049 120.266 120.200 0.029 0.000 2.433 243 E HA 0.651 5.001 4.350 -0.001 0.000 0.273 243 E C -1.483 175.140 176.600 0.039 0.000 0.950 243 E CA -0.978 55.441 56.400 0.031 0.000 0.796 243 E CB 2.191 31.901 29.700 0.017 0.000 1.330 243 E HN 0.706 nan 8.360 nan 0.000 0.455 244 S N 1.130 116.854 115.700 0.040 0.000 2.588 244 S HA 0.701 5.170 4.470 -0.001 0.000 0.275 244 S C -0.490 174.124 174.600 0.024 0.000 1.130 244 S CA -0.505 57.725 58.200 0.049 0.000 0.855 244 S CB 1.859 65.118 63.200 0.100 0.000 1.116 244 S HN 0.861 nan 8.310 nan 0.000 0.472 245 N N -0.683 118.026 118.700 0.016 0.000 6.512 245 N HA -0.149 4.590 4.740 -0.001 0.000 0.413 245 N C 0.135 175.635 175.510 -0.017 0.000 1.124 245 N CA 0.130 53.177 53.050 -0.004 0.000 1.789 245 N CB -0.929 37.548 38.487 -0.017 0.000 0.749 245 N HN 0.664 nan 8.380 nan 0.000 0.431 246 L N 0.444 121.657 121.223 -0.017 0.000 2.265 246 L HA -0.026 4.314 4.340 -0.001 0.000 0.215 246 L C 2.377 179.240 176.870 -0.011 0.000 1.117 246 L CA 1.589 56.419 54.840 -0.017 0.000 0.782 246 L CB -0.666 41.387 42.059 -0.009 0.000 0.914 246 L HN 0.767 nan 8.230 nan 0.000 0.441 247 G N 0.106 108.900 108.800 -0.009 0.000 2.535 247 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.218 247 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.218 247 G C 1.564 176.461 174.900 -0.005 0.000 1.122 247 G CA 0.847 45.944 45.100 -0.006 0.000 0.769 247 G HN 0.398 nan 8.290 nan 0.000 0.549 248 V N -1.371 118.538 119.914 -0.008 0.000 3.217 248 V HA 0.295 4.415 4.120 -0.001 0.000 0.264 248 V C 1.257 177.345 176.094 -0.009 0.000 1.135 248 V CA 0.043 62.337 62.300 -0.009 0.000 1.142 248 V CB -0.591 31.224 31.823 -0.012 0.000 0.754 248 V HN 0.168 nan 8.190 nan 0.000 0.484 249 L N 1.338 122.556 121.223 -0.008 0.000 2.439 249 L HA 0.349 4.689 4.340 -0.001 0.000 0.269 249 L C 0.295 177.171 176.870 0.009 0.000 1.179 249 L CA 0.405 55.245 54.840 -0.000 0.000 0.828 249 L CB 0.382 42.443 42.059 0.003 0.000 1.106 249 L HN 0.183 nan 8.230 nan 0.000 0.467 250 K N 1.304 121.715 120.400 0.018 0.000 2.545 250 K HA 0.391 4.711 4.320 -0.001 0.000 0.252 250 K C 0.367 177.002 176.600 0.059 0.000 0.948 250 K CA -0.445 55.858 56.287 0.027 0.000 0.827 250 K CB 1.922 34.429 32.500 0.012 0.000 1.128 250 K HN 0.637 nan 8.250 nan 0.000 0.429 251 A N 2.274 125.133 122.820 0.064 0.000 1.978 251 A HA -0.195 4.125 4.320 -0.001 0.000 0.220 251 A C 1.319 179.009 177.584 0.176 0.000 1.170 251 A CA 2.088 54.181 52.037 0.092 0.000 0.636 251 A CB -0.372 18.661 19.000 0.056 0.000 0.810 251 A HN 0.860 nan 8.150 nan 0.000 0.448 252 D N -0.832 119.656 120.400 0.146 0.000 2.328 252 D HA 0.429 5.069 4.640 -0.001 0.000 0.226 252 D C 0.409 176.776 176.300 0.112 0.000 1.066 252 D CA 0.595 54.712 54.000 0.196 0.000 0.861 252 D CB -0.259 40.605 40.800 0.106 0.000 0.912 252 D HN 0.393 nan 8.370 nan 0.000 0.521 253 A N -0.110 122.743 122.820 0.055 0.000 2.350 253 A HA 0.602 4.922 4.320 -0.001 0.000 0.318 253 A C -0.430 177.037 177.584 -0.196 0.000 1.132 253 A CA -0.836 51.111 52.037 -0.150 0.000 0.811 253 A CB 1.696 20.647 19.000 -0.082 0.000 1.313 253 A HN 0.022 nan 8.150 nan 0.000 0.454 254 V N 3.113 122.798 119.914 -0.382 0.000 2.397 254 V HA 0.092 4.212 4.120 -0.001 0.000 0.262 254 V C -0.149 175.915 176.094 -0.050 0.000 1.047 254 V CA -0.436 61.752 62.300 -0.186 0.000 1.003 254 V CB -0.270 31.415 31.823 -0.230 0.000 1.037 254 V HN 0.718 nan 8.190 nan 0.000 0.480 255 N N 4.323 123.044 118.700 0.034 0.000 2.419 255 N HA 0.380 5.120 4.740 -0.001 0.000 0.264 255 N C -0.769 174.747 175.510 0.010 0.000 1.031 255 N CA -0.185 52.874 53.050 0.015 0.000 0.951 255 N CB 2.209 40.715 38.487 0.032 0.000 1.101 255 N HN 0.387 nan 8.380 nan 0.000 0.488 256 V N 1.595 121.501 119.914 -0.013 0.000 2.407 256 V HA 0.466 4.586 4.120 -0.001 0.000 0.291 256 V C -0.001 176.077 176.094 -0.026 0.000 1.018 256 V CA -0.974 61.317 62.300 -0.016 0.000 0.842 256 V CB 1.352 33.160 31.823 -0.026 0.000 0.996 256 V HN 0.708 nan 8.190 nan 0.000 0.426 257 A N 4.924 127.731 122.820 -0.021 0.000 2.301 257 A HA 0.775 5.095 4.320 -0.001 0.000 0.298 257 A C -0.117 177.453 177.584 -0.023 0.000 1.185 257 A CA -0.459 51.558 52.037 -0.034 0.000 0.830 257 A CB 1.100 20.075 19.000 -0.041 0.000 1.112 257 A HN 1.305 nan 8.150 nan 0.000 0.508 258 V N 1.353 121.244 119.914 -0.038 0.000 2.427 258 V HA 0.729 4.849 4.120 -0.001 0.000 0.286 258 V C -0.423 175.680 176.094 0.015 0.000 1.034 258 V CA -0.415 61.864 62.300 -0.036 0.000 0.893 258 V CB 0.929 32.704 31.823 -0.079 0.000 0.982 258 V HN 0.981 nan 8.190 nan 0.000 0.452 259 H N 2.480 121.487 119.070 -0.106 0.000 2.865 259 H HA 0.817 5.372 4.556 -0.000 0.000 0.362 259 H C 0.062 175.338 175.328 -0.087 0.000 1.114 259 H CA 0.303 56.298 56.048 -0.090 0.000 1.208 259 H CB 1.734 31.463 29.762 -0.055 0.000 1.727 259 H HN 1.383 nan 8.280 nan 0.000 0.534 260 G N 2.826 111.645 108.800 0.032 0.000 2.317 260 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.196 260 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.196 260 G C -0.533 174.281 174.900 -0.143 0.000 1.255 260 G CA 0.322 45.404 45.100 -0.030 0.000 1.243 260 G HN 0.658 nan 8.290 nan 0.000 0.535 261 H N -0.080 118.943 119.070 -0.080 0.000 2.998 261 H HA 0.297 4.852 4.556 -0.000 0.000 0.223 261 H C 0.789 176.067 175.328 -0.084 0.000 0.906 261 H CA 0.405 56.478 56.048 0.041 0.000 1.014 261 H CB 0.389 30.305 29.762 0.257 0.000 1.389 261 H HN 0.375 nan 8.280 nan 0.000 0.467 262 N N 3.285 121.824 118.700 -0.269 0.000 2.414 262 N HA 0.074 4.813 4.740 -0.001 0.000 0.256 262 N C -1.858 173.469 175.510 -0.305 0.000 1.029 262 N CA -1.796 50.993 53.050 -0.435 0.000 0.948 262 N CB 1.584 39.764 38.487 -0.513 0.000 1.102 262 N HN 0.022 nan 8.380 nan 0.000 0.496 263 P HA -0.118 nan 4.420 nan 0.000 0.225 263 P C 1.150 178.162 177.300 -0.481 0.000 1.148 263 P CA 0.606 63.500 63.100 -0.344 0.000 0.779 263 P CB 0.280 31.787 31.700 -0.320 0.000 0.780 264 V N 0.122 119.912 119.914 -0.207 0.000 2.317 264 V HA -0.246 3.874 4.120 -0.001 0.000 0.251 264 V C 2.509 178.601 176.094 -0.002 0.000 1.065 264 V CA 1.945 64.273 62.300 0.047 0.000 1.049 264 V CB -1.153 30.539 31.823 -0.219 0.000 0.651 264 V HN 0.106 nan 8.190 nan 0.000 0.450 265 L N 0.760 121.789 121.223 -0.323 0.000 2.062 265 L HA -0.042 4.298 4.340 -0.001 0.000 0.202 265 L C 2.734 179.373 176.870 -0.385 0.000 1.079 265 L CA 2.400 56.877 54.840 -0.605 0.000 0.755 265 L CB -0.941 40.716 42.059 -0.671 0.000 0.913 265 L HN 0.444 nan 8.230 nan 0.000 0.445 266 S N -1.435 114.072 115.700 -0.322 0.000 2.383 266 S HA -0.253 4.217 4.470 -0.001 0.000 0.229 266 S C 1.802 176.272 174.600 -0.217 0.000 1.030 266 S CA 1.505 59.563 58.200 -0.236 0.000 1.002 266 S CB -1.065 62.019 63.200 -0.193 0.000 0.829 266 S HN 0.604 nan 8.310 nan 0.000 0.467 267 D N 0.996 121.211 120.400 -0.310 0.000 2.144 267 D HA -0.036 4.604 4.640 -0.001 0.000 0.199 267 D C 1.807 177.989 176.300 -0.197 0.000 0.984 267 D CA 1.246 55.062 54.000 -0.307 0.000 0.834 267 D CB -0.082 40.286 40.800 -0.720 0.000 0.955 267 D HN 0.331 nan 8.370 nan 0.000 0.465 268 I N 0.850 121.343 120.570 -0.128 0.000 2.353 268 I HA -0.178 3.992 4.170 -0.001 0.000 0.248 268 I C 2.099 178.185 176.117 -0.052 0.000 1.119 268 I CA 0.595 61.863 61.300 -0.052 0.000 1.417 268 I CB -0.838 37.219 38.000 0.095 0.000 1.078 268 I HN 0.195 nan 8.210 nan 0.000 0.421 269 I N 0.725 121.254 120.570 -0.069 0.000 2.151 269 I HA -0.249 3.921 4.170 -0.001 0.000 0.243 269 I C 2.766 178.830 176.117 -0.088 0.000 1.080 269 I CA 1.323 62.583 61.300 -0.067 0.000 1.339 269 I CB -1.216 36.728 38.000 -0.093 0.000 1.039 269 I HN 0.041 nan 8.210 nan 0.000 0.409 270 V N 1.414 121.253 119.914 -0.125 0.000 2.295 270 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 270 V C 2.717 178.716 176.094 -0.159 0.000 1.049 270 V CA 2.192 64.403 62.300 -0.149 0.000 1.024 270 V CB -0.891 30.808 31.823 -0.207 0.000 0.648 270 V HN 0.571 nan 8.190 nan 0.000 0.447 271 S N -0.248 115.350 115.700 -0.171 0.000 2.368 271 S HA -0.146 4.324 4.470 -0.001 0.000 0.224 271 S C 1.948 176.492 174.600 -0.094 0.000 1.029 271 S CA 1.530 59.645 58.200 -0.143 0.000 0.988 271 S CB -0.614 62.505 63.200 -0.134 0.000 0.838 271 S HN 0.308 nan 8.310 nan 0.000 0.462 272 V N 2.222 122.092 119.914 -0.074 0.000 2.427 272 V HA -0.123 3.996 4.120 -0.001 0.000 0.248 272 V C 2.826 178.889 176.094 -0.052 0.000 1.051 272 V CA 1.937 64.206 62.300 -0.051 0.000 1.048 272 V CB -1.180 30.627 31.823 -0.027 0.000 0.666 272 V HN 0.534 nan 8.190 nan 0.000 0.456 273 S N -0.372 115.292 115.700 -0.060 0.000 2.383 273 S HA -0.243 4.227 4.470 -0.001 0.000 0.229 273 S C 1.986 176.547 174.600 -0.064 0.000 1.030 273 S CA 1.600 59.763 58.200 -0.061 0.000 1.002 273 S CB -0.259 62.901 63.200 -0.067 0.000 0.829 273 S HN 0.619 nan 8.310 nan 0.000 0.467 274 K N 0.950 121.308 120.400 -0.069 0.000 2.097 274 K HA -0.071 4.249 4.320 -0.001 0.000 0.205 274 K C 2.233 178.801 176.600 -0.054 0.000 1.050 274 K CA 1.088 57.336 56.287 -0.064 0.000 0.938 274 K CB -0.110 32.348 32.500 -0.070 0.000 0.718 274 K HN 0.395 nan 8.250 nan 0.000 0.442 275 E N 0.721 120.890 120.200 -0.052 0.000 2.153 275 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 275 E C 1.353 177.929 176.600 -0.040 0.000 0.988 275 E CA 0.899 57.273 56.400 -0.043 0.000 0.811 275 E CB 0.139 29.814 29.700 -0.040 0.000 0.746 275 E HN 0.270 nan 8.360 nan 0.000 0.466 276 M N 0.384 119.958 119.600 -0.044 0.000 2.505 276 M HA 0.055 4.534 4.480 -0.001 0.000 0.230 276 M C 1.577 177.846 176.300 -0.052 0.000 1.153 276 M CA 0.065 55.340 55.300 -0.043 0.000 0.997 276 M CB 0.352 32.927 32.600 -0.040 0.000 1.606 276 M HN 0.079 nan 8.290 nan 0.000 0.481 277 E N 1.732 121.900 120.200 -0.054 0.000 2.070 277 E HA -0.241 4.108 4.350 -0.001 0.000 0.197 277 E C 1.245 177.810 176.600 -0.059 0.000 1.004 277 E CA 1.925 58.288 56.400 -0.062 0.000 0.805 277 E CB 0.080 29.747 29.700 -0.055 0.000 0.744 277 E HN 0.638 nan 8.360 nan 0.000 0.451 278 N N -0.008 118.665 118.700 -0.044 0.000 2.142 278 N HA -0.142 4.597 4.740 -0.001 0.000 0.186 278 N C 1.808 177.296 175.510 -0.036 0.000 1.023 278 N CA 1.033 54.061 53.050 -0.037 0.000 0.852 278 N CB -0.031 38.439 38.487 -0.027 0.000 0.998 278 N HN 0.203 nan 8.380 nan 0.000 0.424 279 E N 0.637 120.816 120.200 -0.035 0.000 2.085 279 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 279 E C 2.062 178.636 176.600 -0.043 0.000 0.994 279 E CA 1.040 57.422 56.400 -0.031 0.000 0.801 279 E CB -0.071 29.613 29.700 -0.027 0.000 0.743 279 E HN 0.409 nan 8.360 nan 0.000 0.453 280 A N 1.263 124.040 122.820 -0.072 0.000 1.902 280 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 280 A C 2.049 179.556 177.584 -0.129 0.000 1.181 280 A CA 1.266 53.229 52.037 -0.124 0.000 0.623 280 A CB -0.384 18.519 19.000 -0.162 0.000 0.818 280 A HN 0.105 nan 8.150 nan 0.000 0.443 281 R N -0.655 119.790 120.500 -0.091 0.000 2.092 281 R HA -0.059 4.281 4.340 -0.001 0.000 0.231 281 R C 2.435 178.718 176.300 -0.028 0.000 1.119 281 R CA 1.052 57.113 56.100 -0.065 0.000 0.970 281 R CB -0.471 29.799 30.300 -0.049 0.000 0.864 281 R HN 0.522 nan 8.270 nan 0.000 0.440 282 A N 1.306 124.114 122.820 -0.021 0.000 1.978 282 A HA -0.111 4.209 4.320 -0.001 0.000 0.220 282 A C 2.170 179.767 177.584 0.022 0.000 1.170 282 A CA 1.733 53.770 52.037 0.000 0.000 0.636 282 A CB -0.373 18.626 19.000 -0.002 0.000 0.810 282 A HN 0.377 nan 8.150 nan 0.000 0.448 283 A N -2.045 120.789 122.820 0.024 0.000 2.238 283 A HA 0.419 4.739 4.320 -0.001 0.000 0.208 283 A C 1.718 179.407 177.584 0.175 0.000 1.177 283 A CA 1.170 53.259 52.037 0.087 0.000 0.804 283 A CB -0.872 18.184 19.000 0.092 0.000 0.823 283 A HN 1.876 nan 8.150 nan 0.000 0.482 284 G N -2.389 106.480 108.800 0.115 0.000 2.176 284 G HA2 0.120 4.080 3.960 -0.001 0.000 0.232 284 G HA3 0.120 4.080 3.960 -0.001 0.000 0.232 284 G C 0.400 175.412 174.900 0.188 0.000 0.986 284 G CA 0.240 45.449 45.100 0.182 0.000 0.643 284 G HN 1.517 nan 8.290 nan 0.000 0.522 285 A N -0.196 122.555 122.820 -0.114 0.000 2.264 285 A HA 0.818 5.137 4.320 -0.001 0.000 0.304 285 A C 1.660 179.123 177.584 -0.202 0.000 1.100 285 A CA 1.094 52.866 52.037 -0.442 0.000 0.839 285 A CB 0.534 18.871 19.000 -1.104 0.000 1.121 285 A HN 1.276 nan 8.150 nan 0.000 0.496 286 T N -2.043 112.409 114.554 -0.170 0.000 3.023 286 T HA 0.448 4.797 4.350 -0.001 0.000 0.266 286 T C 0.912 175.543 174.700 -0.116 0.000 1.093 286 T CA 0.969 63.010 62.100 -0.099 0.000 1.129 286 T CB -0.292 68.540 68.868 -0.060 0.000 0.899 286 T HN 2.191 nan 8.240 nan 0.000 0.491 287 G N 0.299 108.995 108.800 -0.173 0.000 2.343 287 G HA2 0.392 4.351 3.960 -0.001 0.000 0.289 287 G HA3 0.392 4.351 3.960 -0.001 0.000 0.289 287 G C -1.879 172.916 174.900 -0.175 0.000 1.295 287 G CA -1.066 43.946 45.100 -0.146 0.000 0.869 287 G HN 0.331 nan 8.290 nan 0.000 0.522 288 I N 1.265 121.758 120.570 -0.129 0.000 2.315 288 I HA 0.268 4.438 4.170 -0.001 0.000 0.291 288 I C -0.273 175.792 176.117 -0.087 0.000 1.006 288 I CA -0.667 60.564 61.300 -0.115 0.000 1.265 288 I CB 1.602 39.548 38.000 -0.091 0.000 1.387 288 I HN 0.367 nan 8.210 nan 0.000 0.475 289 N N 6.705 125.358 118.700 -0.077 0.000 2.678 289 N HA 0.233 4.973 4.740 -0.001 0.000 0.231 289 N C -0.916 174.566 175.510 -0.046 0.000 1.038 289 N CA -0.325 52.692 53.050 -0.055 0.000 0.932 289 N CB 0.815 39.276 38.487 -0.044 0.000 1.176 289 N HN 0.263 nan 8.380 nan 0.000 0.511 290 V N 3.672 123.556 119.914 -0.049 0.000 2.508 290 V HA 0.300 4.420 4.120 -0.001 0.000 0.281 290 V C 0.449 176.517 176.094 -0.043 0.000 1.041 290 V CA -0.436 61.836 62.300 -0.048 0.000 1.016 290 V CB 0.755 32.544 31.823 -0.056 0.000 0.984 290 V HN 0.449 nan 8.190 nan 0.000 0.478 291 V N 2.371 122.258 119.914 -0.046 0.000 3.040 291 V HA 1.039 5.159 4.120 -0.001 0.000 0.312 291 V C 0.142 176.195 176.094 -0.069 0.000 1.115 291 V CA -0.490 61.779 62.300 -0.052 0.000 0.998 291 V CB 1.875 33.667 31.823 -0.052 0.000 1.042 291 V HN 0.879 nan 8.190 nan 0.000 0.433 292 G N 1.836 110.586 108.800 -0.083 0.000 2.400 292 G HA2 0.762 4.722 3.960 -0.001 0.000 0.333 292 G HA3 0.762 4.722 3.960 -0.001 0.000 0.333 292 G C -1.039 173.747 174.900 -0.190 0.000 1.143 292 G CA -0.799 44.238 45.100 -0.104 0.000 0.914 292 G HN 0.840 nan 8.290 nan 0.000 0.480 293 I N 0.523 120.968 120.570 -0.208 0.000 2.545 293 I HA 0.342 4.512 4.170 -0.001 0.000 0.292 293 I C 0.412 176.408 176.117 -0.202 0.000 1.040 293 I CA -0.410 60.678 61.300 -0.353 0.000 1.068 293 I CB 1.742 39.383 38.000 -0.599 0.000 1.251 293 I HN 0.704 nan 8.210 nan 0.000 0.424 294 C N 2.665 121.875 119.300 -0.150 0.000 0.168 294 C HA -0.277 4.183 4.460 -0.001 0.000 0.017 294 C C 2.133 177.112 174.990 -0.018 0.000 0.171 294 C CA -0.110 58.925 59.018 0.029 0.000 0.499 294 C CB -1.440 26.376 27.740 0.128 0.000 3.212 294 C HN 1.024 nan 8.230 nan 0.000 1.118 295 C N 0.167 119.348 119.300 -0.198 0.000 2.468 295 C HA 0.004 4.464 4.460 -0.001 0.000 0.277 295 C C 2.489 177.407 174.990 -0.120 0.000 1.400 295 C CA 1.599 60.525 59.018 -0.154 0.000 1.770 295 C CB -1.510 26.123 27.740 -0.178 0.000 1.905 295 C HN 0.956 nan 8.230 nan 0.000 0.519 296 T N 0.655 115.101 114.554 -0.179 0.000 2.720 296 T HA -0.088 4.261 4.350 -0.001 0.000 0.268 296 T C 1.982 176.638 174.700 -0.075 0.000 1.037 296 T CA 1.912 63.945 62.100 -0.112 0.000 1.144 296 T CB -0.480 68.314 68.868 -0.123 0.000 0.864 296 T HN 0.686 nan 8.240 nan 0.000 0.444 297 G N 1.795 110.559 108.800 -0.060 0.000 2.418 297 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 297 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 297 G C 1.680 176.578 174.900 -0.003 0.000 1.158 297 G CA 0.565 45.639 45.100 -0.044 0.000 0.771 297 G HN 0.387 nan 8.290 nan 0.000 0.545 298 N N 0.724 119.448 118.700 0.039 0.000 2.149 298 N HA -0.088 4.652 4.740 -0.001 0.000 0.188 298 N C 2.180 177.678 175.510 -0.021 0.000 1.019 298 N CA 1.038 54.128 53.050 0.067 0.000 0.857 298 N CB -0.181 38.393 38.487 0.145 0.000 0.997 298 N HN 0.342 nan 8.380 nan 0.000 0.426 299 E N 0.466 120.652 120.200 -0.023 0.000 2.051 299 E HA -0.116 4.234 4.350 -0.001 0.000 0.192 299 E C 2.112 178.657 176.600 -0.092 0.000 0.991 299 E CA 1.150 57.521 56.400 -0.048 0.000 0.799 299 E CB -0.341 29.337 29.700 -0.036 0.000 0.748 299 E HN 0.407 nan 8.360 nan 0.000 0.449 300 V N -0.704 119.173 119.914 -0.061 0.000 2.951 300 V HA -0.022 4.098 4.120 -0.001 0.000 0.255 300 V C 2.394 178.471 176.094 -0.027 0.000 1.088 300 V CA 0.819 63.116 62.300 -0.004 0.000 1.109 300 V CB -0.673 31.180 31.823 0.049 0.000 0.724 300 V HN 0.074 nan 8.190 nan 0.000 0.471 301 L N -0.708 120.486 121.223 -0.048 0.000 2.027 301 L HA -0.068 4.272 4.340 -0.001 0.000 0.206 301 L C 2.665 179.457 176.870 -0.130 0.000 1.074 301 L CA 1.901 56.708 54.840 -0.055 0.000 0.745 301 L CB -0.236 41.812 42.059 -0.019 0.000 0.898 301 L HN 0.177 nan 8.230 nan 0.000 0.433 302 M N -0.532 118.954 119.600 -0.189 0.000 2.117 302 M HA -0.176 4.304 4.480 -0.001 0.000 0.262 302 M C 2.387 178.543 176.300 -0.240 0.000 1.065 302 M CA 1.754 56.910 55.300 -0.240 0.000 1.114 302 M CB -1.015 31.446 32.600 -0.233 0.000 1.361 302 M HN 0.318 nan 8.290 nan 0.000 0.408 303 R N -1.515 118.790 120.500 -0.326 0.000 2.156 303 R HA 0.000 4.340 4.340 -0.001 0.000 0.207 303 R C 1.249 177.197 176.300 -0.587 0.000 1.040 303 R CA 0.716 56.499 56.100 -0.529 0.000 1.013 303 R CB 0.213 30.032 30.300 -0.800 0.000 0.931 303 R HN 0.495 nan 8.270 nan 0.000 0.465 304 H N -1.740 117.298 119.070 -0.053 0.000 3.233 304 H HA 0.236 4.792 4.556 -0.001 0.000 0.263 304 H C 0.974 176.274 175.328 -0.047 0.000 1.168 304 H CA 0.565 56.585 56.048 -0.046 0.000 1.159 304 H CB 1.421 31.154 29.762 -0.048 0.000 1.593 304 H HN 0.373 nan 8.280 nan 0.000 0.580 305 G N 1.936 110.743 108.800 0.012 0.000 2.160 305 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.251 305 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.251 305 G C 0.249 175.159 174.900 0.016 0.000 1.008 305 G CA 0.060 45.161 45.100 0.002 0.000 0.724 305 G HN 0.229 nan 8.290 nan 0.000 0.514 306 I N 2.211 122.799 120.570 0.029 0.000 2.668 306 I HA 0.124 4.293 4.170 -0.001 0.000 0.285 306 I C -1.203 174.916 176.117 0.003 0.000 1.168 306 I CA -1.775 59.533 61.300 0.013 0.000 1.424 306 I CB 0.154 38.162 38.000 0.014 0.000 1.377 306 I HN 0.040 nan 8.210 nan 0.000 0.560 307 P HA 0.136 nan 4.420 nan 0.000 0.271 307 P C -0.752 176.542 177.300 -0.011 0.000 1.216 307 P CA -0.485 62.616 63.100 0.002 0.000 0.776 307 P CB 0.868 32.566 31.700 -0.003 0.000 0.881 308 A N 2.456 125.279 122.820 0.006 0.000 2.320 308 A HA 0.213 4.533 4.320 -0.001 0.000 0.287 308 A C 1.501 179.037 177.584 -0.080 0.000 1.181 308 A CA -0.528 51.489 52.037 -0.034 0.000 0.831 308 A CB -0.413 18.632 19.000 0.074 0.000 1.102 308 A HN 0.761 nan 8.150 nan 0.000 0.513 309 C N 2.066 121.275 119.300 -0.153 0.000 2.576 309 C HA 0.376 4.836 4.460 -0.001 0.000 0.281 309 C C 1.335 176.221 174.990 -0.173 0.000 1.292 309 C CA 1.745 60.683 59.018 -0.133 0.000 1.697 309 C CB -0.195 27.468 27.740 -0.128 0.000 2.109 309 C HN 1.007 nan 8.230 nan 0.000 0.497 310 T N -2.756 111.595 114.554 -0.339 0.000 2.653 310 T HA 0.491 4.840 4.350 -0.001 0.000 0.306 310 T C -2.264 172.017 174.700 -0.700 0.000 1.426 310 T CA -0.412 61.487 62.100 -0.336 0.000 1.008 310 T CB 0.995 69.797 68.868 -0.111 0.000 1.692 310 T HN 0.569 nan 8.240 nan 0.000 0.483 311 H N -0.216 118.836 119.070 -0.031 0.000 3.012 311 H HA 0.720 5.276 4.556 -0.001 0.000 0.367 311 H C 0.454 175.787 175.328 0.008 0.000 1.211 311 H CA 0.370 56.402 56.048 -0.026 0.000 1.139 311 H CB 1.625 31.380 29.762 -0.011 0.000 1.838 311 H HN 0.823 nan 8.280 nan 0.000 0.550 312 S N -0.122 115.664 115.700 0.144 0.000 4.110 312 S HA -0.324 4.146 4.470 -0.001 0.000 0.573 312 S C 1.837 176.477 174.600 0.067 0.000 1.936 312 S CA 1.997 60.275 58.200 0.130 0.000 4.227 312 S CB -1.268 62.022 63.200 0.150 0.000 0.327 312 S HN 0.670 nan 8.310 nan 0.000 0.532 313 V N 2.531 122.466 119.914 0.034 0.000 2.469 313 V HA -0.067 4.052 4.120 -0.001 0.000 0.251 313 V C 2.198 178.226 176.094 -0.109 0.000 1.064 313 V CA 3.110 65.340 62.300 -0.117 0.000 1.066 313 V CB -0.675 31.029 31.823 -0.199 0.000 0.667 313 V HN 1.078 nan 8.190 nan 0.000 0.461 314 S N -0.110 115.657 115.700 0.112 0.000 2.634 314 S HA -0.024 4.446 4.470 -0.001 0.000 0.221 314 S C 1.612 176.282 174.600 0.117 0.000 0.952 314 S CA 0.403 58.749 58.200 0.243 0.000 0.930 314 S CB 0.018 63.411 63.200 0.321 0.000 0.780 314 S HN 0.870 nan 8.310 nan 0.000 0.498 315 Q N 1.786 121.607 119.800 0.036 0.000 2.181 315 Q HA -0.204 4.135 4.340 -0.001 0.000 0.205 315 Q C 1.360 177.366 176.000 0.010 0.000 0.980 315 Q CA 1.761 57.544 55.803 -0.033 0.000 0.862 315 Q CB -0.759 27.941 28.738 -0.065 0.000 0.905 315 Q HN 0.684 nan 8.270 nan 0.000 0.429 316 E N 0.322 120.558 120.200 0.061 0.000 2.204 316 E HA -0.109 4.241 4.350 -0.001 0.000 0.194 316 E C 1.916 178.562 176.600 0.076 0.000 0.989 316 E CA 0.988 57.433 56.400 0.074 0.000 0.824 316 E CB -0.030 29.726 29.700 0.094 0.000 0.756 316 E HN 0.402 nan 8.360 nan 0.000 0.477 317 M N 0.264 119.922 119.600 0.096 0.000 2.296 317 M HA -0.037 4.442 4.480 -0.001 0.000 0.265 317 M C 2.343 178.667 176.300 0.041 0.000 1.064 317 M CA 0.925 56.276 55.300 0.084 0.000 1.109 317 M CB -0.934 31.731 32.600 0.107 0.000 1.396 317 M HN 0.129 nan 8.290 nan 0.000 0.430 318 A N 0.364 123.194 122.820 0.016 0.000 1.940 318 A HA -0.171 4.149 4.320 -0.001 0.000 0.219 318 A C 2.240 179.830 177.584 0.010 0.000 1.176 318 A CA 1.645 53.679 52.037 -0.005 0.000 0.631 318 A CB -0.541 18.435 19.000 -0.040 0.000 0.814 318 A HN 0.510 nan 8.150 nan 0.000 0.446 319 M N -0.603 119.010 119.600 0.021 0.000 2.200 319 M HA -0.029 4.450 4.480 -0.001 0.000 0.265 319 M C 1.662 177.979 176.300 0.029 0.000 1.066 319 M CA 0.911 56.227 55.300 0.027 0.000 1.127 319 M CB -0.374 32.248 32.600 0.037 0.000 1.379 319 M HN 0.245 nan 8.290 nan 0.000 0.420 320 I N 0.941 121.532 120.570 0.035 0.000 2.567 320 I HA -0.192 3.977 4.170 -0.001 0.000 0.257 320 I C 2.658 178.789 176.117 0.023 0.000 1.184 320 I CA 1.801 63.122 61.300 0.034 0.000 1.451 320 I CB -1.856 36.170 38.000 0.044 0.000 1.089 320 I HN 0.446 nan 8.210 nan 0.000 0.441 321 T N -1.129 113.437 114.554 0.020 0.000 2.803 321 T HA -0.090 4.259 4.350 -0.001 0.000 0.269 321 T C 1.791 176.499 174.700 0.012 0.000 1.052 321 T CA 1.477 63.586 62.100 0.014 0.000 1.136 321 T CB -0.509 68.367 68.868 0.013 0.000 0.864 321 T HN 0.508 nan 8.240 nan 0.000 0.467 322 G N 0.627 109.436 108.800 0.014 0.000 2.176 322 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.253 322 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.253 322 G C 0.863 175.770 174.900 0.011 0.000 0.979 322 G CA 0.231 45.337 45.100 0.009 0.000 0.641 322 G HN 1.375 nan 8.290 nan 0.000 0.530 323 A N -0.859 121.974 122.820 0.022 0.000 2.390 323 A HA 0.719 5.039 4.320 -0.001 0.000 0.232 323 A C 0.776 178.391 177.584 0.051 0.000 1.233 323 A CA 0.587 52.647 52.037 0.039 0.000 0.907 323 A CB 0.266 19.290 19.000 0.041 0.000 0.967 323 A HN 1.062 nan 8.150 nan 0.000 0.512 324 L N 1.171 122.416 121.223 0.036 0.000 2.312 324 L HA 0.294 4.634 4.340 -0.001 0.000 0.287 324 L C 0.207 177.104 176.870 0.045 0.000 1.091 324 L CA 0.066 54.926 54.840 0.034 0.000 0.846 324 L CB 0.277 42.348 42.059 0.020 0.000 1.219 324 L HN 0.216 nan 8.230 nan 0.000 0.439 325 D N 3.712 124.150 120.400 0.063 0.000 2.194 325 D HA 0.123 4.763 4.640 -0.001 0.000 0.204 325 D C 0.295 176.626 176.300 0.052 0.000 0.964 325 D CA 0.973 55.019 54.000 0.075 0.000 0.846 325 D CB 0.500 41.377 40.800 0.129 0.000 0.962 325 D HN 0.548 nan 8.370 nan 0.000 0.490 326 A N 0.189 123.032 122.820 0.037 0.000 2.549 326 A HA 0.630 4.950 4.320 -0.001 0.000 0.297 326 A C -1.259 176.337 177.584 0.021 0.000 1.061 326 A CA -0.600 51.453 52.037 0.027 0.000 0.690 326 A CB 2.101 21.113 19.000 0.020 0.000 1.287 326 A HN 0.058 nan 8.150 nan 0.000 0.402 327 M N 3.300 122.916 119.600 0.027 0.000 2.085 327 M HA 0.564 5.043 4.480 -0.001 0.000 0.309 327 M C -1.941 174.375 176.300 0.026 0.000 0.947 327 M CA -0.460 54.863 55.300 0.038 0.000 0.918 327 M CB 0.456 33.096 32.600 0.067 0.000 1.504 327 M HN 0.602 nan 8.290 nan 0.000 0.420 328 I N 6.440 127.014 120.570 0.006 0.000 2.312 328 I HA 0.352 4.521 4.170 -0.001 0.000 0.290 328 I C -0.889 175.196 176.117 -0.053 0.000 1.008 328 I CA -0.544 60.736 61.300 -0.033 0.000 1.226 328 I CB 1.019 38.982 38.000 -0.061 0.000 1.371 328 I HN 0.632 nan 8.210 nan 0.000 0.468 329 L N 6.028 127.209 121.223 -0.071 0.000 2.334 329 L HA 0.452 4.792 4.340 -0.001 0.000 0.276 329 L C 0.514 177.296 176.870 -0.147 0.000 1.014 329 L CA -0.538 54.238 54.840 -0.106 0.000 0.815 329 L CB 1.683 43.696 42.059 -0.077 0.000 1.268 329 L HN 0.650 nan 8.230 nan 0.000 0.428 330 D N 1.365 121.634 120.400 -0.218 0.000 2.855 330 D HA 0.093 4.733 4.640 -0.001 0.000 0.257 330 D C -0.584 175.594 176.300 -0.203 0.000 1.542 330 D CA 0.497 54.298 54.000 -0.333 0.000 1.164 330 D CB 0.384 40.811 40.800 -0.622 0.000 1.004 330 D HN 0.375 nan 8.370 nan 0.000 0.293 331 Y N -2.124 118.184 120.300 0.014 0.000 2.624 331 Y HA 0.476 5.026 4.550 -0.000 0.000 0.334 331 Y C -1.196 174.731 175.900 0.046 0.000 1.155 331 Y CA -1.506 56.602 58.100 0.013 0.000 1.046 331 Y CB 0.546 39.012 38.460 0.010 0.000 1.316 331 Y HN 0.207 nan 8.280 nan 0.000 0.457 332 Q N 0.119 120.056 119.800 0.228 0.000 3.120 332 Q HA -0.052 4.288 4.340 -0.001 0.000 0.070 332 Q C -0.313 175.774 176.000 0.145 0.000 1.644 332 Q CA 0.528 56.370 55.803 0.065 0.000 0.291 332 Q CB -1.174 27.368 28.738 -0.327 0.000 0.583 332 Q HN 1.473 nan 8.270 nan 0.000 0.322 333 C N 0.275 119.663 119.300 0.146 0.000 4.497 333 C HA -0.211 4.248 4.460 -0.001 0.000 0.268 333 C C 0.632 175.723 174.990 0.168 0.000 1.343 333 C CA 0.677 59.825 59.018 0.218 0.000 1.742 333 C CB -2.206 25.722 27.740 0.313 0.000 1.450 333 C HN 0.570 nan 8.230 nan 0.000 0.733 334 I N 1.325 121.913 120.570 0.029 0.000 2.312 334 I HA 0.200 4.370 4.170 -0.001 0.000 0.291 334 I C 0.758 176.904 176.117 0.049 0.000 1.031 334 I CA 0.511 61.771 61.300 -0.065 0.000 1.293 334 I CB 0.591 38.439 38.000 -0.253 0.000 1.403 334 I HN 0.263 nan 8.210 nan 0.000 0.484 335 Q N 8.643 128.504 119.800 0.103 0.000 2.244 335 Q HA 0.058 4.398 4.340 -0.001 0.000 0.278 335 Q C -1.299 174.731 176.000 0.051 0.000 1.093 335 Q CA -1.306 54.535 55.803 0.064 0.000 0.916 335 Q CB 0.660 29.431 28.738 0.055 0.000 1.159 335 Q HN 0.432 nan 8.270 nan 0.000 0.384 336 P HA -0.174 nan 4.420 nan 0.000 0.228 336 P C 1.043 178.363 177.300 0.034 0.000 1.151 336 P CA 1.026 64.144 63.100 0.031 0.000 0.770 336 P CB 0.196 31.910 31.700 0.023 0.000 0.786 337 S N 0.503 116.224 115.700 0.035 0.000 2.420 337 S HA -0.187 4.283 4.470 -0.001 0.000 0.237 337 S C 2.011 176.638 174.600 0.045 0.000 1.023 337 S CA 1.674 59.896 58.200 0.038 0.000 0.991 337 S CB -2.044 61.178 63.200 0.037 0.000 0.792 337 S HN 0.186 nan 8.310 nan 0.000 0.488 338 V N 0.350 120.297 119.914 0.055 0.000 2.469 338 V HA -0.044 4.075 4.120 -0.001 0.000 0.251 338 V C 2.716 178.840 176.094 0.051 0.000 1.064 338 V CA 1.514 63.851 62.300 0.062 0.000 1.066 338 V CB -1.879 29.995 31.823 0.086 0.000 0.667 338 V HN 0.573 nan 8.190 nan 0.000 0.461 339 A N 1.567 124.414 122.820 0.044 0.000 1.933 339 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 339 A C 2.513 180.118 177.584 0.034 0.000 1.175 339 A CA 2.768 54.828 52.037 0.038 0.000 0.628 339 A CB -1.138 17.883 19.000 0.035 0.000 0.814 339 A HN 0.827 nan 8.150 nan 0.000 0.444 340 T N -2.306 112.269 114.554 0.034 0.000 2.976 340 T HA 0.096 4.446 4.350 -0.001 0.000 0.257 340 T C 1.825 176.545 174.700 0.033 0.000 1.051 340 T CA 1.017 63.135 62.100 0.031 0.000 1.141 340 T CB -0.486 68.400 68.868 0.029 0.000 0.881 340 T HN 0.298 nan 8.240 nan 0.000 0.461 341 I N 2.119 122.712 120.570 0.038 0.000 2.361 341 I HA -0.101 4.069 4.170 -0.001 0.000 0.251 341 I C 3.170 179.308 176.117 0.036 0.000 1.133 341 I CA 1.052 62.376 61.300 0.040 0.000 1.413 341 I CB -0.569 37.460 38.000 0.048 0.000 1.073 341 I HN 0.344 nan 8.210 nan 0.000 0.424 342 A N 0.648 123.489 122.820 0.036 0.000 1.986 342 A HA -0.253 4.067 4.320 -0.001 0.000 0.220 342 A C 2.156 179.757 177.584 0.027 0.000 1.171 342 A CA 1.836 53.893 52.037 0.033 0.000 0.640 342 A CB -0.569 18.452 19.000 0.035 0.000 0.811 342 A HN 0.490 nan 8.150 nan 0.000 0.451 343 E N -1.000 119.215 120.200 0.026 0.000 2.150 343 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 343 E C 1.936 178.547 176.600 0.019 0.000 0.985 343 E CA 1.257 57.669 56.400 0.021 0.000 0.814 343 E CB -0.321 29.392 29.700 0.021 0.000 0.752 343 E HN 0.747 nan 8.360 nan 0.000 0.466 344 C N 0.028 119.340 119.300 0.021 0.000 2.492 344 C HA -0.016 4.444 4.460 -0.001 0.000 0.279 344 C C 2.885 177.886 174.990 0.017 0.000 1.335 344 C CA 1.144 60.173 59.018 0.019 0.000 1.734 344 C CB -0.814 26.941 27.740 0.024 0.000 2.027 344 C HN 0.581 nan 8.230 nan 0.000 0.496 345 T N -2.962 111.604 114.554 0.020 0.000 3.037 345 T HA 0.381 4.730 4.350 -0.001 0.000 0.251 345 T C 1.576 176.284 174.700 0.014 0.000 1.079 345 T CA 1.390 63.501 62.100 0.018 0.000 1.067 345 T CB 0.116 68.998 68.868 0.024 0.000 0.948 345 T HN 0.855 nan 8.240 nan 0.000 0.496 346 G N 1.068 109.877 108.800 0.015 0.000 2.217 346 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.246 346 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.246 346 G C 0.254 175.165 174.900 0.019 0.000 0.990 346 G CA 0.072 45.179 45.100 0.012 0.000 0.627 346 G HN 0.733 nan 8.290 nan 0.000 0.522 347 T N 2.315 116.883 114.554 0.024 0.000 2.928 347 T HA 0.433 4.783 4.350 -0.001 0.000 0.305 347 T C 0.559 175.278 174.700 0.031 0.000 1.035 347 T CA 1.037 63.155 62.100 0.030 0.000 1.145 347 T CB 1.090 69.978 68.868 0.033 0.000 0.963 347 T HN 0.239 nan 8.240 nan 0.000 0.545 348 T N 3.885 118.459 114.554 0.033 0.000 2.747 348 T HA 0.335 4.685 4.350 -0.001 0.000 0.301 348 T C 0.216 174.935 174.700 0.032 0.000 0.952 348 T CA -0.522 61.597 62.100 0.031 0.000 0.983 348 T CB 0.256 69.143 68.868 0.031 0.000 0.930 348 T HN 0.328 nan 8.240 nan 0.000 0.494 349 V N 6.125 126.060 119.914 0.034 0.000 2.406 349 V HA 0.418 4.538 4.120 -0.001 0.000 0.272 349 V C 0.142 176.255 176.094 0.032 0.000 1.043 349 V CA -0.546 61.776 62.300 0.036 0.000 0.915 349 V CB 0.666 32.515 31.823 0.043 0.000 0.988 349 V HN 0.770 nan 8.190 nan 0.000 0.466 350 I N 4.805 125.387 120.570 0.021 0.000 2.410 350 I HA 0.379 4.549 4.170 -0.001 0.000 0.286 350 I C 0.481 176.597 176.117 -0.002 0.000 1.009 350 I CA -0.331 60.974 61.300 0.008 0.000 1.111 350 I CB 2.235 40.230 38.000 -0.009 0.000 1.262 350 I HN 0.681 nan 8.210 nan 0.000 0.443 351 T N 0.343 114.915 114.554 0.030 0.000 2.918 351 T HA 0.440 4.789 4.350 -0.001 0.000 0.283 351 T C 0.706 175.338 174.700 -0.113 0.000 1.001 351 T CA -0.078 62.057 62.100 0.058 0.000 1.041 351 T CB 1.707 70.722 68.868 0.245 0.000 1.028 351 T HN 0.757 nan 8.240 nan 0.000 0.511 352 T N -2.287 112.222 114.554 -0.075 0.000 3.046 352 T HA 0.313 4.663 4.350 -0.001 0.000 0.270 352 T C 0.332 175.064 174.700 0.054 0.000 0.920 352 T CA -0.519 61.495 62.100 -0.143 0.000 0.874 352 T CB 0.246 69.055 68.868 -0.099 0.000 1.214 352 T HN 0.461 nan 8.240 nan 0.000 0.536 353 M N 1.885 121.607 119.600 0.203 0.000 2.364 353 M HA 0.546 5.025 4.480 -0.001 0.000 0.334 353 M C 1.002 177.468 176.300 0.277 0.000 1.107 353 M CA -0.568 54.869 55.300 0.229 0.000 0.988 353 M CB 1.736 34.476 32.600 0.232 0.000 1.673 353 M HN -0.008 nan 8.290 nan 0.000 0.441 354 E N 3.169 123.476 120.200 0.178 0.000 2.153 354 E HA -0.154 4.196 4.350 -0.001 0.000 0.194 354 E C 1.132 177.738 176.600 0.010 0.000 0.988 354 E CA 1.883 58.327 56.400 0.073 0.000 0.811 354 E CB 0.066 29.788 29.700 0.037 0.000 0.746 354 E HN 0.633 nan 8.360 nan 0.000 0.466 355 M N -1.366 118.254 119.600 0.033 0.000 2.493 355 M HA 0.326 4.805 4.480 -0.001 0.000 0.244 355 M C 0.124 176.442 176.300 0.030 0.000 1.182 355 M CA -0.043 55.258 55.300 0.002 0.000 0.981 355 M CB 0.570 33.150 32.600 -0.034 0.000 1.551 355 M HN -0.103 nan 8.290 nan 0.000 0.476 356 S N 0.955 116.702 115.700 0.079 0.000 2.312 356 S HA 0.483 4.952 4.470 -0.001 0.000 0.173 356 S C -0.813 173.838 174.600 0.086 0.000 1.488 356 S CA -0.729 57.528 58.200 0.094 0.000 1.239 356 S CB 0.273 63.579 63.200 0.178 0.000 1.215 356 S HN 0.418 nan 8.310 nan 0.000 0.438 357 K N 2.359 122.775 120.400 0.027 0.000 2.221 357 K HA 0.671 4.991 4.320 -0.001 0.000 0.243 357 K C -0.861 175.752 176.600 0.022 0.000 0.968 357 K CA -0.870 55.428 56.287 0.017 0.000 0.846 357 K CB 1.791 34.236 32.500 -0.091 0.000 1.141 357 K HN 0.425 nan 8.250 nan 0.000 0.434 358 I N 1.295 121.885 120.570 0.034 0.000 2.478 358 I HA 0.127 4.296 4.170 -0.001 0.000 0.287 358 I C -0.261 175.871 176.117 0.024 0.000 1.042 358 I CA -0.834 60.482 61.300 0.027 0.000 1.067 358 I CB 2.134 40.154 38.000 0.033 0.000 1.233 358 I HN 0.504 nan 8.210 nan 0.000 0.431 359 T N 4.607 119.170 114.554 0.015 0.000 2.866 359 T HA 0.210 4.560 4.350 -0.001 0.000 0.293 359 T C 1.176 175.889 174.700 0.021 0.000 1.005 359 T CA 1.329 63.438 62.100 0.013 0.000 1.162 359 T CB 0.575 69.448 68.868 0.008 0.000 0.968 359 T HN 1.140 nan 8.240 nan 0.000 0.530 360 G N 1.807 110.622 108.800 0.024 0.000 2.217 360 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.246 360 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.246 360 G C 0.253 175.173 174.900 0.035 0.000 0.990 360 G CA -0.047 45.069 45.100 0.027 0.000 0.627 360 G HN 1.164 nan 8.290 nan 0.000 0.522 361 A N 0.145 122.990 122.820 0.043 0.000 2.286 361 A HA 0.763 5.082 4.320 -0.001 0.000 0.286 361 A C 0.590 178.214 177.584 0.067 0.000 1.097 361 A CA 0.768 52.836 52.037 0.053 0.000 0.821 361 A CB 0.583 19.619 19.000 0.059 0.000 1.076 361 A HN 0.706 nan 8.150 nan 0.000 0.490 362 T N 1.513 116.105 114.554 0.063 0.000 2.832 362 T HA 0.321 4.671 4.350 -0.001 0.000 0.296 362 T C -0.350 174.411 174.700 0.102 0.000 0.968 362 T CA 0.582 62.725 62.100 0.071 0.000 1.107 362 T CB -0.029 68.865 68.868 0.045 0.000 0.916 362 T HN 0.643 nan 8.240 nan 0.000 0.517 363 H N 2.362 121.447 119.070 0.025 0.000 2.519 363 H HA 0.536 5.092 4.556 -0.000 0.000 0.316 363 H C -1.039 174.311 175.328 0.038 0.000 1.065 363 H CA -0.501 55.565 56.048 0.030 0.000 1.264 363 H CB 0.551 30.329 29.762 0.027 0.000 1.413 363 H HN 0.325 nan 8.280 nan 0.000 0.465 364 V N 6.135 125.833 119.914 -0.361 0.000 2.325 364 V HA 0.130 4.250 4.120 -0.001 0.000 0.280 364 V C 0.305 176.210 176.094 -0.315 0.000 1.016 364 V CA -1.000 61.174 62.300 -0.210 0.000 0.818 364 V CB 0.762 32.543 31.823 -0.070 0.000 1.019 364 V HN 0.893 nan 8.190 nan 0.000 0.434 365 N N 3.252 121.828 118.700 -0.206 0.000 2.359 365 N HA 0.074 4.813 4.740 -0.001 0.000 0.261 365 N C -0.965 174.573 175.510 0.046 0.000 1.267 365 N CA -0.061 52.959 53.050 -0.051 0.000 0.864 365 N CB 0.364 38.900 38.487 0.080 0.000 1.063 365 N HN 0.568 nan 8.380 nan 0.000 0.474 366 F N 3.185 123.104 119.950 -0.051 0.000 2.420 366 F HA 0.578 5.104 4.527 -0.001 0.000 0.342 366 F C -0.340 175.487 175.800 0.044 0.000 1.113 366 F CA -0.619 57.383 58.000 0.003 0.000 1.059 366 F CB 1.101 40.108 39.000 0.011 0.000 1.128 366 F HN 0.422 nan 8.300 nan 0.000 0.475 367 A N 4.861 127.495 122.820 -0.311 0.000 2.343 367 A HA 0.460 4.780 4.320 -0.001 0.000 0.308 367 A C 0.479 177.887 177.584 -0.294 0.000 1.092 367 A CA -0.584 51.357 52.037 -0.159 0.000 0.751 367 A CB 1.002 19.943 19.000 -0.098 0.000 1.203 367 A HN 0.837 nan 8.150 nan 0.000 0.452 368 E N 1.221 121.399 120.200 -0.038 0.000 2.171 368 E HA -0.223 4.126 4.350 -0.001 0.000 0.197 368 E C 1.081 177.744 176.600 0.104 0.000 0.997 368 E CA 2.153 58.618 56.400 0.109 0.000 0.810 368 E CB -0.023 29.683 29.700 0.010 0.000 0.738 368 E HN 0.845 nan 8.360 nan 0.000 0.467 369 E N -0.251 119.956 120.200 0.012 0.000 2.265 369 E HA -0.075 4.275 4.350 -0.001 0.000 0.196 369 E C 0.790 177.370 176.600 -0.034 0.000 0.996 369 E CA 1.224 57.629 56.400 0.009 0.000 0.832 369 E CB 0.122 29.818 29.700 -0.006 0.000 0.756 369 E HN 0.255 nan 8.360 nan 0.000 0.491 370 A N -0.334 122.416 122.820 -0.117 0.000 2.643 370 A HA 0.653 4.972 4.320 -0.001 0.000 0.295 370 A C 1.484 178.913 177.584 -0.258 0.000 1.065 370 A CA 0.298 52.247 52.037 -0.147 0.000 0.986 370 A CB 0.032 18.953 19.000 -0.131 0.000 1.212 370 A HN 0.170 nan 8.150 nan 0.000 0.516 371 A N -0.302 122.351 122.820 -0.279 0.000 1.883 371 A HA -0.051 4.269 4.320 -0.001 0.000 0.217 371 A C 1.992 179.490 177.584 -0.143 0.000 1.186 371 A CA 2.207 53.992 52.037 -0.420 0.000 0.624 371 A CB -0.684 18.296 19.000 -0.033 0.000 0.822 371 A HN 0.562 nan 8.150 nan 0.000 0.444 372 V N 0.136 120.000 119.914 -0.082 0.000 2.343 372 V HA -0.280 3.839 4.120 -0.001 0.000 0.247 372 V C 2.567 178.642 176.094 -0.032 0.000 1.051 372 V CA 2.384 64.661 62.300 -0.039 0.000 1.036 372 V CB -0.758 31.035 31.823 -0.049 0.000 0.654 372 V HN 0.833 nan 8.190 nan 0.000 0.451 373 E N 0.535 120.702 120.200 -0.056 0.000 2.038 373 E HA -0.281 4.068 4.350 -0.001 0.000 0.195 373 E C 2.038 178.618 176.600 -0.034 0.000 1.000 373 E CA 1.881 58.254 56.400 -0.045 0.000 0.803 373 E CB -0.151 29.516 29.700 -0.054 0.000 0.750 373 E HN 0.602 nan 8.360 nan 0.000 0.448 374 N N 0.647 119.305 118.700 -0.070 0.000 2.120 374 N HA -0.140 4.600 4.740 -0.001 0.000 0.188 374 N C 1.703 177.272 175.510 0.099 0.000 1.024 374 N CA 1.395 54.435 53.050 -0.018 0.000 0.852 374 N CB -0.643 37.764 38.487 -0.133 0.000 1.003 374 N HN 0.315 nan 8.380 nan 0.000 0.424 375 A N 1.559 124.467 122.820 0.148 0.000 1.908 375 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 375 A C 2.148 179.767 177.584 0.057 0.000 1.181 375 A CA 1.539 53.664 52.037 0.147 0.000 0.627 375 A CB -0.430 18.656 19.000 0.143 0.000 0.818 375 A HN 0.270 nan 8.150 nan 0.000 0.445 376 K N -0.842 119.575 120.400 0.029 0.000 2.057 376 K HA -0.209 4.111 4.320 -0.001 0.000 0.207 376 K C 2.421 179.027 176.600 0.011 0.000 1.049 376 K CA 1.557 57.849 56.287 0.009 0.000 0.931 376 K CB -0.195 32.303 32.500 -0.003 0.000 0.714 376 K HN 0.711 nan 8.250 nan 0.000 0.440 377 Q N 1.187 120.996 119.800 0.015 0.000 2.061 377 Q HA -0.199 4.141 4.340 -0.001 0.000 0.204 377 Q C 2.037 178.048 176.000 0.018 0.000 0.984 377 Q CA 1.622 57.433 55.803 0.014 0.000 0.846 377 Q CB -0.097 28.648 28.738 0.012 0.000 0.902 377 Q HN 0.308 nan 8.270 nan 0.000 0.421 378 I N 0.413 121.000 120.570 0.029 0.000 2.179 378 I HA -0.302 3.868 4.170 -0.001 0.000 0.242 378 I C 2.203 178.328 176.117 0.014 0.000 1.088 378 I CA 0.978 62.291 61.300 0.023 0.000 1.357 378 I CB -0.177 37.842 38.000 0.032 0.000 1.051 378 I HN 0.274 nan 8.210 nan 0.000 0.409 379 L N -0.024 121.205 121.223 0.011 0.000 2.201 379 L HA -0.132 4.208 4.340 -0.001 0.000 0.212 379 L C 2.638 179.509 176.870 0.003 0.000 1.105 379 L CA 1.029 55.868 54.840 -0.000 0.000 0.775 379 L CB -0.452 41.600 42.059 -0.011 0.000 0.913 379 L HN 0.139 nan 8.230 nan 0.000 0.440 380 R N -0.158 120.346 120.500 0.007 0.000 2.092 380 R HA -0.075 4.264 4.340 -0.001 0.000 0.231 380 R C 2.275 178.589 176.300 0.022 0.000 1.119 380 R CA 0.989 57.096 56.100 0.012 0.000 0.970 380 R CB -0.237 30.069 30.300 0.010 0.000 0.864 380 R HN 0.285 nan 8.270 nan 0.000 0.440 381 L N 0.002 121.238 121.223 0.021 0.000 2.042 381 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 381 L C 2.615 179.507 176.870 0.036 0.000 1.076 381 L CA 1.365 56.221 54.840 0.027 0.000 0.749 381 L CB -0.602 41.471 42.059 0.023 0.000 0.893 381 L HN 0.275 nan 8.230 nan 0.000 0.432 382 A N 0.286 123.125 122.820 0.033 0.000 1.902 382 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 382 A C 2.201 179.830 177.584 0.075 0.000 1.181 382 A CA 1.510 53.574 52.037 0.044 0.000 0.623 382 A CB -0.630 18.383 19.000 0.023 0.000 0.818 382 A HN 0.347 nan 8.150 nan 0.000 0.443 383 I N -0.018 120.584 120.570 0.054 0.000 2.179 383 I HA -0.255 3.915 4.170 -0.001 0.000 0.242 383 I C 1.897 178.094 176.117 0.134 0.000 1.088 383 I CA 1.500 62.846 61.300 0.078 0.000 1.357 383 I CB -0.519 37.497 38.000 0.027 0.000 1.051 383 I HN 0.260 nan 8.210 nan 0.000 0.409 384 D N 0.544 120.995 120.400 0.085 0.000 2.133 384 D HA -0.166 4.474 4.640 -0.001 0.000 0.195 384 D C 2.205 178.552 176.300 0.078 0.000 0.997 384 D CA 1.835 55.879 54.000 0.073 0.000 0.840 384 D CB -0.472 40.355 40.800 0.045 0.000 0.947 384 D HN 0.313 nan 8.370 nan 0.000 0.452 385 T N 0.572 115.175 114.554 0.082 0.000 2.777 385 T HA -0.142 4.208 4.350 -0.001 0.000 0.266 385 T C 1.728 176.477 174.700 0.081 0.000 1.040 385 T CA 0.632 62.772 62.100 0.067 0.000 1.141 385 T CB -0.506 68.399 68.868 0.063 0.000 0.868 385 T HN 0.147 nan 8.240 nan 0.000 0.444 386 F N 2.382 122.332 119.950 -0.001 0.000 2.091 386 F HA -0.152 4.375 4.527 -0.001 0.000 0.299 386 F C 2.134 177.933 175.800 -0.001 0.000 1.103 386 F CA 1.414 59.413 58.000 -0.002 0.000 1.228 386 F CB -0.217 38.781 39.000 -0.004 0.000 0.984 386 F HN -0.014 nan 8.300 nan 0.000 0.477 387 K N -0.026 120.409 120.400 0.058 0.000 2.097 387 K HA -0.162 4.157 4.320 -0.001 0.000 0.206 387 K C 2.147 178.673 176.600 -0.124 0.000 1.049 387 K CA 1.536 57.795 56.287 -0.046 0.000 0.933 387 K CB -0.272 32.268 32.500 0.067 0.000 0.717 387 K HN 0.317 nan 8.250 nan 0.000 0.442 388 R N 0.863 121.317 120.500 -0.077 0.000 2.189 388 R HA -0.106 4.233 4.340 -0.001 0.000 0.223 388 R C 1.911 178.146 176.300 -0.109 0.000 1.092 388 R CA 1.127 57.185 56.100 -0.069 0.000 0.989 388 R CB -0.070 30.211 30.300 -0.031 0.000 0.876 388 R HN 0.284 nan 8.270 nan 0.000 0.457 389 R N 0.885 121.277 120.500 -0.180 0.000 2.388 389 R HA 0.139 4.479 4.340 -0.001 0.000 0.247 389 R C 0.124 176.272 176.300 -0.252 0.000 0.931 389 R CA -0.228 55.760 56.100 -0.187 0.000 1.082 389 R CB 0.066 30.269 30.300 -0.161 0.000 1.135 389 R HN -0.164 nan 8.270 nan 0.000 0.525 390 K N 1.342 121.566 120.400 -0.294 0.000 2.466 390 K HA -0.023 4.297 4.320 -0.001 0.000 0.278 390 K C 0.553 177.068 176.600 -0.142 0.000 1.048 390 K CA 1.482 57.618 56.287 -0.250 0.000 1.088 390 K CB 0.056 32.446 32.500 -0.184 0.000 0.884 390 K HN 0.510 nan 8.250 nan 0.000 0.478 391 G N 3.299 112.029 108.800 -0.116 0.000 2.179 391 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.260 391 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.260 391 G C -0.365 174.498 174.900 -0.061 0.000 0.977 391 G CA 0.305 45.363 45.100 -0.070 0.000 0.641 391 G HN 0.606 nan 8.290 nan 0.000 0.533 392 K N 1.761 122.115 120.400 -0.077 0.000 2.234 392 K HA 0.435 4.755 4.320 -0.001 0.000 0.282 392 K C -2.001 174.572 176.600 -0.045 0.000 1.039 392 K CA -1.382 54.871 56.287 -0.056 0.000 0.928 392 K CB 1.483 33.946 32.500 -0.061 0.000 1.039 392 K HN 0.170 nan 8.250 nan 0.000 0.470 393 P HA 0.056 nan 4.420 nan 0.000 0.271 393 P C -0.538 176.753 177.300 -0.016 0.000 1.218 393 P CA -0.428 62.661 63.100 -0.019 0.000 0.780 393 P CB 0.902 32.594 31.700 -0.013 0.000 0.901 394 V N -1.391 118.518 119.914 -0.009 0.000 3.001 394 V HA 0.584 4.704 4.120 -0.001 0.000 0.314 394 V C -0.435 175.660 176.094 0.002 0.000 1.099 394 V CA -0.925 61.373 62.300 -0.002 0.000 0.989 394 V CB 2.170 33.995 31.823 0.003 0.000 1.040 394 V HN 0.618 nan 8.190 nan 0.000 0.434 395 E N 2.312 122.515 120.200 0.004 0.000 2.346 395 E HA 0.497 4.847 4.350 -0.001 0.000 0.239 395 E C -1.310 175.293 176.600 0.006 0.000 0.943 395 E CA -0.550 55.852 56.400 0.004 0.000 0.751 395 E CB 1.090 30.792 29.700 0.003 0.000 1.241 395 E HN 0.792 nan 8.360 nan 0.000 0.423 396 I N 5.583 126.157 120.570 0.006 0.000 2.297 396 I HA 0.257 4.426 4.170 -0.001 0.000 0.291 396 I C -2.051 174.068 176.117 0.002 0.000 1.033 396 I CA -2.203 59.100 61.300 0.006 0.000 1.253 396 I CB 0.977 38.982 38.000 0.009 0.000 1.396 396 I HN 0.315 nan 8.210 nan 0.000 0.476 397 P HA -0.044 nan 4.420 nan 0.000 0.262 397 P C -0.296 177.001 177.300 -0.004 0.000 1.182 397 P CA -0.015 63.083 63.100 -0.003 0.000 0.761 397 P CB 0.359 32.056 31.700 -0.006 0.000 0.795 398 N N 3.385 122.083 118.700 -0.004 0.000 3.259 398 N HA 0.165 4.905 4.740 -0.001 0.000 0.308 398 N C -0.970 174.537 175.510 -0.006 0.000 1.334 398 N CA 0.086 53.134 53.050 -0.003 0.000 1.202 398 N CB -0.913 37.573 38.487 -0.002 0.000 1.485 398 N HN 0.298 nan 8.380 nan 0.000 0.549 399 I N 1.739 122.303 120.570 -0.009 0.000 2.478 399 I HA 0.330 4.499 4.170 -0.001 0.000 0.287 399 I C -0.636 175.472 176.117 -0.015 0.000 1.042 399 I CA -0.774 60.518 61.300 -0.014 0.000 1.067 399 I CB 1.520 39.508 38.000 -0.020 0.000 1.233 399 I HN 0.183 nan 8.210 nan 0.000 0.431 400 K N 3.200 123.592 120.400 -0.013 0.000 2.575 400 K HA 0.736 5.056 4.320 -0.001 0.000 0.279 400 K C -1.215 175.382 176.600 -0.006 0.000 0.969 400 K CA -0.805 55.476 56.287 -0.009 0.000 0.868 400 K CB 2.265 34.763 32.500 -0.002 0.000 1.457 400 K HN 0.471 nan 8.250 nan 0.000 0.426 401 T N -1.772 112.784 114.554 0.003 0.000 2.924 401 T HA 0.399 4.748 4.350 -0.001 0.000 0.291 401 T C -0.631 174.083 174.700 0.024 0.000 1.045 401 T CA -1.015 61.092 62.100 0.011 0.000 1.015 401 T CB 1.763 70.640 68.868 0.015 0.000 1.103 401 T HN 0.665 nan 8.240 nan 0.000 0.496 402 K N 1.059 121.474 120.400 0.026 0.000 2.249 402 K HA 0.536 4.856 4.320 -0.001 0.000 0.280 402 K C -1.365 175.268 176.600 0.055 0.000 1.033 402 K CA -0.660 55.648 56.287 0.035 0.000 0.946 402 K CB 0.573 33.090 32.500 0.028 0.000 1.005 402 K HN 0.492 nan 8.250 nan 0.000 0.469 403 V N 4.971 124.925 119.914 0.066 0.000 2.482 403 V HA 0.227 4.346 4.120 -0.001 0.000 0.295 403 V C -0.759 175.396 176.094 0.101 0.000 1.026 403 V CA -0.999 61.359 62.300 0.098 0.000 0.856 403 V CB 1.733 33.623 31.823 0.112 0.000 1.001 403 V HN 0.556 nan 8.190 nan 0.000 0.424 404 V N 4.570 124.567 119.914 0.138 0.000 2.407 404 V HA 0.907 5.027 4.120 -0.001 0.000 0.278 404 V C 0.490 176.732 176.094 0.247 0.000 1.037 404 V CA 0.258 62.653 62.300 0.160 0.000 0.900 404 V CB 1.114 33.057 31.823 0.201 0.000 0.983 404 V HN 1.073 nan 8.190 nan 0.000 0.459 405 A N 3.234 126.123 122.820 0.115 0.000 2.701 405 A HA 0.909 5.229 4.320 -0.001 0.000 0.290 405 A C 0.793 178.225 177.584 -0.254 0.000 1.267 405 A CA -0.173 51.919 52.037 0.092 0.000 0.709 405 A CB 0.838 19.839 19.000 0.001 0.000 1.352 405 A HN 1.970 nan 8.150 nan 0.000 0.519 406 G N -1.967 106.674 108.800 -0.266 0.000 2.132 406 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.228 406 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.228 406 G C -0.222 174.436 174.900 -0.403 0.000 1.000 406 G CA 0.321 45.215 45.100 -0.342 0.000 0.693 406 G HN 0.860 nan 8.290 nan 0.000 0.515 407 F N 3.166 123.103 119.950 -0.021 0.000 2.640 407 F HA 0.421 4.947 4.527 -0.001 0.000 0.354 407 F C 1.609 177.411 175.800 0.003 0.000 1.213 407 F CA -0.003 58.002 58.000 0.008 0.000 1.314 407 F CB 0.015 39.039 39.000 0.039 0.000 1.679 407 F HN 0.310 nan 8.300 nan 0.000 0.622 408 S N -0.974 114.760 115.700 0.056 0.000 2.580 408 S HA -0.015 4.455 4.470 -0.001 0.000 0.261 408 S C 1.462 176.109 174.600 0.078 0.000 1.366 408 S CA -0.301 57.925 58.200 0.043 0.000 0.996 408 S CB 0.831 64.029 63.200 -0.003 0.000 0.902 408 S HN 0.456 nan 8.310 nan 0.000 0.566 409 T N 1.456 116.039 114.554 0.048 0.000 2.821 409 T HA -0.067 4.283 4.350 -0.001 0.000 0.267 409 T C 1.587 176.318 174.700 0.053 0.000 1.046 409 T CA 1.840 63.971 62.100 0.052 0.000 1.139 409 T CB -0.522 68.363 68.868 0.028 0.000 0.871 409 T HN 0.735 nan 8.240 nan 0.000 0.454 410 E N 1.498 121.721 120.200 0.037 0.000 2.077 410 E HA -0.019 4.331 4.350 -0.001 0.000 0.193 410 E C 2.391 179.015 176.600 0.040 0.000 0.989 410 E CA 1.203 57.623 56.400 0.033 0.000 0.800 410 E CB -0.463 29.249 29.700 0.021 0.000 0.746 410 E HN 0.487 nan 8.360 nan 0.000 0.452 411 A N 0.513 123.359 122.820 0.042 0.000 1.902 411 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 411 A C 2.242 179.904 177.584 0.131 0.000 1.181 411 A CA 1.179 53.245 52.037 0.048 0.000 0.623 411 A CB -0.608 18.379 19.000 -0.021 0.000 0.818 411 A HN 0.191 nan 8.150 nan 0.000 0.443 412 I N -0.368 120.304 120.570 0.171 0.000 2.202 412 I HA -0.249 3.921 4.170 -0.001 0.000 0.242 412 I C 2.297 178.474 176.117 0.100 0.000 1.091 412 I CA 1.294 62.697 61.300 0.171 0.000 1.368 412 I CB -0.329 37.751 38.000 0.133 0.000 1.058 412 I HN 0.298 nan 8.210 nan 0.000 0.410 413 I N 0.886 121.500 120.570 0.073 0.000 2.208 413 I HA -0.342 3.827 4.170 -0.001 0.000 0.245 413 I C 2.350 178.496 176.117 0.049 0.000 1.097 413 I CA 1.789 63.120 61.300 0.052 0.000 1.363 413 I CB -0.570 37.455 38.000 0.041 0.000 1.051 413 I HN 0.338 nan 8.210 nan 0.000 0.413 414 N N 1.150 119.880 118.700 0.051 0.000 2.120 414 N HA -0.171 4.568 4.740 -0.001 0.000 0.188 414 N C 1.795 177.336 175.510 0.053 0.000 1.024 414 N CA 1.709 54.785 53.050 0.043 0.000 0.852 414 N CB -0.091 38.416 38.487 0.033 0.000 1.003 414 N HN 0.331 nan 8.380 nan 0.000 0.424 415 A N 0.450 123.318 122.820 0.079 0.000 1.877 415 A HA -0.042 4.277 4.320 -0.001 0.000 0.216 415 A C 2.283 179.905 177.584 0.064 0.000 1.186 415 A CA 1.101 53.192 52.037 0.091 0.000 0.620 415 A CB -0.849 18.243 19.000 0.154 0.000 0.822 415 A HN 0.375 nan 8.150 nan 0.000 0.443 416 L N 0.590 121.847 121.223 0.057 0.000 2.201 416 L HA -0.156 4.184 4.340 -0.001 0.000 0.212 416 L C 2.881 179.771 176.870 0.032 0.000 1.105 416 L CA 1.379 56.242 54.840 0.039 0.000 0.775 416 L CB -0.415 41.665 42.059 0.035 0.000 0.913 416 L HN 0.614 nan 8.230 nan 0.000 0.440 417 S N -0.739 114.981 115.700 0.033 0.000 2.447 417 S HA -0.122 4.348 4.470 -0.001 0.000 0.233 417 S C 1.854 176.468 174.600 0.023 0.000 1.006 417 S CA 0.530 58.746 58.200 0.026 0.000 0.957 417 S CB -0.180 63.035 63.200 0.024 0.000 0.773 417 S HN 0.278 nan 8.310 nan 0.000 0.507 418 K N 1.308 121.724 120.400 0.027 0.000 2.283 418 K HA 0.216 4.535 4.320 -0.001 0.000 0.202 418 K C 1.743 178.356 176.600 0.021 0.000 1.048 418 K CA 0.593 56.895 56.287 0.024 0.000 0.948 418 K CB -0.554 31.963 32.500 0.029 0.000 0.742 418 K HN 0.479 nan 8.250 nan 0.000 0.458 419 L N -0.785 120.451 121.223 0.022 0.000 2.463 419 L HA 0.102 4.442 4.340 -0.001 0.000 0.219 419 L C 0.327 177.206 176.870 0.016 0.000 1.088 419 L CA 0.134 54.985 54.840 0.018 0.000 0.849 419 L CB 0.089 42.159 42.059 0.019 0.000 1.012 419 L HN 0.131 nan 8.230 nan 0.000 0.468 420 N N -0.740 117.970 118.700 0.016 0.000 2.747 420 N HA 0.280 5.020 4.740 -0.001 0.000 0.262 420 N C 0.460 175.978 175.510 0.015 0.000 1.261 420 N CA 0.171 53.230 53.050 0.014 0.000 0.809 420 N CB 1.242 39.738 38.487 0.014 0.000 1.450 420 N HN 0.001 nan 8.380 nan 0.000 0.560 421 A N 3.016 125.843 122.820 0.013 0.000 1.902 421 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 421 A C 1.309 178.900 177.584 0.012 0.000 1.181 421 A CA 1.426 53.470 52.037 0.013 0.000 0.623 421 A CB -0.306 18.700 19.000 0.011 0.000 0.818 421 A HN 0.812 nan 8.150 nan 0.000 0.443 422 N N -1.199 117.507 118.700 0.010 0.000 2.236 422 N HA 0.102 4.842 4.740 -0.001 0.000 0.196 422 N C -0.599 174.917 175.510 0.010 0.000 1.114 422 N CA 0.324 53.380 53.050 0.009 0.000 0.859 422 N CB 0.579 39.071 38.487 0.007 0.000 0.982 422 N HN 0.261 nan 8.380 nan 0.000 0.493 423 D N -0.146 120.261 120.400 0.011 0.000 2.846 423 D HA 0.117 4.757 4.640 -0.001 0.000 0.279 423 D C -2.040 174.269 176.300 0.014 0.000 1.222 423 D CA -1.872 52.135 54.000 0.012 0.000 0.769 423 D CB 0.837 41.643 40.800 0.010 0.000 1.299 423 D HN -0.049 nan 8.370 nan 0.000 0.537 424 P HA -0.078 nan 4.420 nan 0.000 0.220 424 P C 1.751 179.063 177.300 0.020 0.000 1.148 424 P CA 0.490 63.602 63.100 0.020 0.000 0.803 424 P CB 0.557 32.271 31.700 0.023 0.000 0.782 425 L N -0.386 120.848 121.223 0.019 0.000 2.291 425 L HA -0.056 4.284 4.340 -0.001 0.000 0.214 425 L C 2.785 179.665 176.870 0.016 0.000 1.120 425 L CA 1.067 55.918 54.840 0.018 0.000 0.799 425 L CB -0.769 41.300 42.059 0.017 0.000 0.925 425 L HN -0.005 nan 8.230 nan 0.000 0.446 426 K N 0.900 121.308 120.400 0.014 0.000 2.032 426 K HA -0.171 4.149 4.320 -0.001 0.000 0.209 426 K C -0.530 176.078 176.600 0.013 0.000 1.048 426 K CA 1.468 57.763 56.287 0.013 0.000 0.927 426 K CB -0.714 31.793 32.500 0.012 0.000 0.712 426 K HN 0.144 nan 8.250 nan 0.000 0.441 427 P HA -0.176 nan 4.420 nan 0.000 0.216 427 P C 1.288 178.596 177.300 0.013 0.000 1.150 427 P CA 0.895 64.003 63.100 0.014 0.000 0.837 427 P CB -0.002 31.707 31.700 0.015 0.000 0.786 428 L N -0.653 120.578 121.223 0.013 0.000 2.017 428 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 428 L C 2.196 179.074 176.870 0.012 0.000 1.073 428 L CA 1.787 56.634 54.840 0.011 0.000 0.745 428 L CB -1.274 40.791 42.059 0.011 0.000 0.894 428 L HN -0.136 nan 8.230 nan 0.000 0.432 429 I N -0.370 120.207 120.570 0.013 0.000 2.226 429 I HA -0.266 3.904 4.170 -0.001 0.000 0.245 429 I C 2.047 178.173 176.117 0.015 0.000 1.100 429 I CA 1.158 62.467 61.300 0.014 0.000 1.374 429 I CB -0.612 37.396 38.000 0.014 0.000 1.057 429 I HN 0.266 nan 8.210 nan 0.000 0.413 430 D N 0.996 121.405 120.400 0.014 0.000 2.116 430 D HA -0.190 4.450 4.640 -0.001 0.000 0.193 430 D C 1.865 178.175 176.300 0.016 0.000 0.998 430 D CA 1.294 55.303 54.000 0.014 0.000 0.836 430 D CB -0.450 40.358 40.800 0.013 0.000 0.951 430 D HN 0.367 nan 8.370 nan 0.000 0.449 431 N N 0.129 118.838 118.700 0.015 0.000 2.354 431 N HA -0.058 4.682 4.740 -0.001 0.000 0.179 431 N C 1.975 177.496 175.510 0.019 0.000 1.021 431 N CA 0.197 53.257 53.050 0.016 0.000 0.887 431 N CB 0.333 38.828 38.487 0.013 0.000 0.974 431 N HN 0.079 nan 8.380 nan 0.000 0.437 432 V N 1.008 120.933 119.914 0.019 0.000 2.295 432 V HA -0.160 3.960 4.120 -0.001 0.000 0.246 432 V C 2.474 178.587 176.094 0.031 0.000 1.049 432 V CA 1.188 63.503 62.300 0.024 0.000 1.024 432 V CB -0.448 31.387 31.823 0.020 0.000 0.648 432 V HN 0.029 nan 8.190 nan 0.000 0.447 433 V N 2.132 122.063 119.914 0.027 0.000 2.343 433 V HA -0.208 3.912 4.120 -0.001 0.000 0.247 433 V C 2.173 178.285 176.094 0.030 0.000 1.051 433 V CA 2.220 64.538 62.300 0.030 0.000 1.036 433 V CB -0.976 30.862 31.823 0.024 0.000 0.654 433 V HN 0.907 nan 8.190 nan 0.000 0.451 434 N N 0.508 119.222 118.700 0.024 0.000 2.461 434 N HA 0.137 4.876 4.740 -0.001 0.000 0.188 434 N C 1.305 176.829 175.510 0.023 0.000 1.134 434 N CA 1.093 54.156 53.050 0.021 0.000 0.878 434 N CB 0.312 38.808 38.487 0.015 0.000 0.972 434 N HN 0.476 nan 8.380 nan 0.000 0.456 435 G N -0.059 108.760 108.800 0.031 0.000 2.175 435 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.244 435 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.244 435 G C 0.798 175.716 174.900 0.031 0.000 0.982 435 G CA 0.308 45.431 45.100 0.037 0.000 0.641 435 G HN 0.520 nan 8.290 nan 0.000 0.527 436 N N -0.416 118.298 118.700 0.024 0.000 2.223 436 N HA 0.038 4.778 4.740 -0.001 0.000 0.185 436 N C 0.334 175.857 175.510 0.022 0.000 1.016 436 N CA 0.868 53.930 53.050 0.020 0.000 0.863 436 N CB 0.076 38.572 38.487 0.016 0.000 0.983 436 N HN 0.345 nan 8.380 nan 0.000 0.429 437 I N 0.771 121.355 120.570 0.023 0.000 2.382 437 I HA 0.144 4.314 4.170 -0.001 0.000 0.285 437 I C 1.039 177.174 176.117 0.030 0.000 1.007 437 I CA -0.169 61.144 61.300 0.022 0.000 1.142 437 I CB 1.595 39.604 38.000 0.014 0.000 1.289 437 I HN 0.040 nan 8.210 nan 0.000 0.453 438 R N 4.351 124.872 120.500 0.035 0.000 2.075 438 R HA 0.110 4.450 4.340 -0.001 0.000 0.232 438 R C 0.813 177.132 176.300 0.031 0.000 1.126 438 R CA 1.322 57.450 56.100 0.047 0.000 0.963 438 R CB 0.420 30.753 30.300 0.055 0.000 0.858 438 R HN 0.863 nan 8.270 nan 0.000 0.435 439 G N -1.593 107.215 108.800 0.014 0.000 2.427 439 G HA2 0.365 4.324 3.960 -0.001 0.000 0.306 439 G HA3 0.365 4.324 3.960 -0.001 0.000 0.306 439 G C -1.888 173.003 174.900 -0.016 0.000 1.280 439 G CA -0.597 44.500 45.100 -0.004 0.000 0.837 439 G HN -0.003 nan 8.290 nan 0.000 0.482 440 V N -0.508 119.385 119.914 -0.034 0.000 2.588 440 V HA 0.617 4.737 4.120 -0.001 0.000 0.304 440 V C -0.654 175.387 176.094 -0.089 0.000 1.042 440 V CA -0.727 61.545 62.300 -0.046 0.000 0.877 440 V CB 1.373 33.176 31.823 -0.034 0.000 0.996 440 V HN 1.029 nan 8.190 nan 0.000 0.425 441 C N 6.556 125.781 119.300 -0.125 0.000 2.369 441 C HA 0.758 5.217 4.460 -0.001 0.000 0.322 441 C C -0.555 174.270 174.990 -0.275 0.000 1.258 441 C CA -0.638 58.231 59.018 -0.249 0.000 1.487 441 C CB 0.597 28.114 27.740 -0.372 0.000 2.165 441 C HN 0.875 nan 8.230 nan 0.000 0.483 442 L N 6.656 127.723 121.223 -0.260 0.000 2.257 442 L HA 0.624 4.963 4.340 -0.001 0.000 0.290 442 L C -1.002 175.715 176.870 -0.255 0.000 1.044 442 L CA 0.255 54.990 54.840 -0.175 0.000 0.810 442 L CB 0.135 42.146 42.059 -0.079 0.000 1.193 442 L HN 0.597 nan 8.230 nan 0.000 0.425 443 F N 4.846 124.808 119.950 0.020 0.000 2.411 443 F HA 0.722 5.249 4.527 -0.001 0.000 0.350 443 F C 0.679 176.503 175.800 0.040 0.000 1.114 443 F CA 0.160 58.210 58.000 0.084 0.000 1.135 443 F CB 1.279 40.330 39.000 0.085 0.000 1.120 443 F HN 0.702 nan 8.300 nan 0.000 0.495 444 A N 2.031 125.033 122.820 0.303 0.000 2.527 444 A HA 0.907 5.227 4.320 -0.001 0.000 0.293 444 A C 0.040 177.772 177.584 0.247 0.000 1.117 444 A CA -0.208 51.928 52.037 0.165 0.000 0.723 444 A CB 1.132 20.165 19.000 0.056 0.000 1.313 444 A HN 1.518 nan 8.150 nan 0.000 0.411 445 G N -1.319 107.581 108.800 0.166 0.000 2.615 445 G HA2 0.063 4.022 3.960 -0.001 0.000 0.218 445 G HA3 0.063 4.022 3.960 -0.001 0.000 0.218 445 G C 0.232 175.282 174.900 0.251 0.000 1.339 445 G CA -0.359 44.857 45.100 0.193 0.000 0.884 445 G HN 1.857 nan 8.290 nan 0.000 0.559 446 C N 0.339 119.784 119.300 0.242 0.000 2.365 446 C HA 0.719 5.179 4.460 -0.001 0.000 0.374 446 C C 0.803 175.969 174.990 0.293 0.000 1.318 446 C CA -0.998 58.150 59.018 0.216 0.000 2.239 446 C CB 0.698 28.531 27.740 0.155 0.000 2.144 446 C HN 0.798 nan 8.230 nan 0.000 0.581 447 N N 2.077 120.908 118.700 0.219 0.000 2.476 447 N HA 0.321 5.061 4.740 -0.001 0.000 0.275 447 N C -0.802 174.737 175.510 0.049 0.000 1.190 447 N CA -0.008 53.143 53.050 0.169 0.000 0.977 447 N CB 0.652 39.237 38.487 0.163 0.000 1.200 447 N HN 0.694 nan 8.380 nan 0.000 0.515 448 N N 0.315 119.007 118.700 -0.013 0.000 2.397 448 N HA 0.065 4.805 4.740 -0.001 0.000 0.291 448 N C 0.337 175.746 175.510 -0.168 0.000 1.065 448 N CA -0.391 52.597 53.050 -0.102 0.000 0.884 448 N CB 1.791 40.218 38.487 -0.100 0.000 1.551 448 N HN 0.179 nan 8.380 nan 0.000 0.487 449 V N 4.531 124.253 119.914 -0.320 0.000 2.660 449 V HA -0.177 3.943 4.120 -0.001 0.000 0.257 449 V C 1.891 177.712 176.094 -0.455 0.000 1.088 449 V CA 1.914 63.931 62.300 -0.471 0.000 1.106 449 V CB -0.254 31.152 31.823 -0.695 0.000 0.686 449 V HN 0.632 nan 8.190 nan 0.000 0.481 450 K N -0.679 119.440 120.400 -0.468 0.000 2.283 450 K HA 0.018 4.338 4.320 -0.001 0.000 0.202 450 K C 0.455 177.037 176.600 -0.030 0.000 1.048 450 K CA 0.524 56.637 56.287 -0.289 0.000 0.948 450 K CB 0.112 32.498 32.500 -0.189 0.000 0.742 450 K HN 0.397 nan 8.250 nan 0.000 0.458 451 V N 2.741 122.642 119.914 -0.022 0.000 2.417 451 V HA 0.189 4.309 4.120 -0.001 0.000 0.291 451 V C -2.464 173.692 176.094 0.102 0.000 1.024 451 V CA -2.495 59.822 62.300 0.027 0.000 0.861 451 V CB 1.396 33.203 31.823 -0.027 0.000 0.985 451 V HN -0.045 nan 8.190 nan 0.000 0.436 452 P HA -0.043 nan 4.420 nan 0.000 0.258 452 P C -0.135 177.254 177.300 0.148 0.000 1.172 452 P CA 0.309 63.497 63.100 0.147 0.000 0.762 452 P CB 0.226 31.974 31.700 0.080 0.000 0.764 453 Q N 3.827 123.773 119.800 0.242 0.000 2.262 453 Q HA -0.138 4.202 4.340 -0.001 0.000 0.298 453 Q C 0.069 176.181 176.000 0.186 0.000 1.083 453 Q CA 0.779 56.735 55.803 0.255 0.000 0.962 453 Q CB -0.145 28.819 28.738 0.377 0.000 1.104 453 Q HN 0.489 nan 8.270 nan 0.000 0.376 454 D N 1.676 122.180 120.400 0.174 0.000 2.748 454 D HA -0.277 4.363 4.640 -0.001 0.000 0.189 454 D C 0.867 177.152 176.300 -0.025 0.000 0.982 454 D CA 1.443 55.527 54.000 0.141 0.000 1.017 454 D CB -0.800 40.071 40.800 0.118 0.000 1.076 454 D HN 0.820 nan 8.370 nan 0.000 0.446 455 Q N 0.448 120.230 119.800 -0.031 0.000 2.096 455 Q HA -0.184 4.156 4.340 -0.001 0.000 0.204 455 Q C 1.679 177.618 176.000 -0.102 0.000 0.982 455 Q CA 1.969 57.732 55.803 -0.068 0.000 0.850 455 Q CB 0.070 28.793 28.738 -0.025 0.000 0.901 455 Q HN 0.312 nan 8.270 nan 0.000 0.422 456 N N -0.327 118.287 118.700 -0.143 0.000 2.135 456 N HA -0.091 4.648 4.740 -0.001 0.000 0.186 456 N C 1.460 176.814 175.510 -0.261 0.000 1.027 456 N CA 1.152 54.086 53.050 -0.193 0.000 0.849 456 N CB -0.492 37.850 38.487 -0.243 0.000 1.002 456 N HN 0.246 nan 8.380 nan 0.000 0.425 457 F N 1.181 120.976 119.950 -0.257 0.000 2.095 457 F HA -0.226 4.301 4.527 -0.001 0.000 0.298 457 F C 2.715 178.107 175.800 -0.679 0.000 1.104 457 F CA 1.623 59.285 58.000 -0.563 0.000 1.232 457 F CB -0.765 37.908 39.000 -0.544 0.000 0.987 457 F HN 0.167 nan 8.300 nan 0.000 0.475 458 T N -3.787 110.580 114.554 -0.311 0.000 2.857 458 T HA -0.116 4.234 4.350 -0.001 0.000 0.266 458 T C 1.831 176.445 174.700 -0.144 0.000 1.048 458 T CA 1.625 63.513 62.100 -0.354 0.000 1.139 458 T CB -0.912 67.813 68.868 -0.238 0.000 0.874 458 T HN 0.146 nan 8.240 nan 0.000 0.455 459 T N 2.254 116.745 114.554 -0.105 0.000 2.708 459 T HA 0.100 4.450 4.350 -0.001 0.000 0.266 459 T C 1.923 176.615 174.700 -0.015 0.000 1.037 459 T CA 1.458 63.537 62.100 -0.036 0.000 1.146 459 T CB -0.438 68.409 68.868 -0.036 0.000 0.865 459 T HN 0.395 nan 8.240 nan 0.000 0.435 460 I N 1.291 121.839 120.570 -0.036 0.000 2.202 460 I HA -0.130 4.039 4.170 -0.001 0.000 0.242 460 I C 2.963 179.168 176.117 0.147 0.000 1.091 460 I CA 1.043 62.384 61.300 0.068 0.000 1.368 460 I CB -0.544 37.558 38.000 0.170 0.000 1.058 460 I HN 0.174 nan 8.210 nan 0.000 0.410 461 A N 0.989 123.802 122.820 -0.012 0.000 1.908 461 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 461 A C 2.406 180.094 177.584 0.173 0.000 1.181 461 A CA 1.706 53.774 52.037 0.053 0.000 0.627 461 A CB -0.654 18.081 19.000 -0.441 0.000 0.818 461 A HN 0.319 nan 8.150 nan 0.000 0.445 462 R N -0.814 119.791 120.500 0.174 0.000 2.091 462 R HA -0.166 4.173 4.340 -0.001 0.000 0.238 462 R C 2.353 178.735 176.300 0.137 0.000 1.136 462 R CA 1.803 58.033 56.100 0.217 0.000 0.959 462 R CB -0.238 30.172 30.300 0.184 0.000 0.856 462 R HN 0.514 nan 8.270 nan 0.000 0.437 463 K N 1.016 121.478 120.400 0.104 0.000 2.057 463 K HA -0.072 4.247 4.320 -0.001 0.000 0.206 463 K C 1.915 178.566 176.600 0.086 0.000 1.050 463 K CA 1.169 57.503 56.287 0.078 0.000 0.935 463 K CB -0.140 32.394 32.500 0.057 0.000 0.715 463 K HN 0.076 nan 8.250 nan 0.000 0.439 464 L N 0.302 121.591 121.223 0.110 0.000 2.056 464 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 464 L C 2.315 179.245 176.870 0.100 0.000 1.078 464 L CA 1.034 55.933 54.840 0.100 0.000 0.749 464 L CB -0.477 41.654 42.059 0.120 0.000 0.901 464 L HN 0.181 nan 8.230 nan 0.000 0.433 465 L N -0.412 120.889 121.223 0.130 0.000 2.046 465 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 465 L C 2.699 179.616 176.870 0.080 0.000 1.077 465 L CA 1.033 55.943 54.840 0.115 0.000 0.747 465 L CB -0.514 41.639 42.059 0.156 0.000 0.896 465 L HN 0.185 nan 8.230 nan 0.000 0.432 466 K N -0.123 120.323 120.400 0.076 0.000 2.209 466 K HA -0.121 4.199 4.320 -0.001 0.000 0.204 466 K C 1.673 178.303 176.600 0.049 0.000 1.048 466 K CA 0.952 57.272 56.287 0.054 0.000 0.940 466 K CB -0.119 32.411 32.500 0.050 0.000 0.729 466 K HN 0.340 nan 8.250 nan 0.000 0.451 467 Q N 0.815 120.648 119.800 0.055 0.000 2.247 467 Q HA 0.064 4.404 4.340 -0.001 0.000 0.205 467 Q C -0.420 175.610 176.000 0.051 0.000 0.896 467 Q CA -0.091 55.744 55.803 0.053 0.000 0.950 467 Q CB 0.082 28.854 28.738 0.058 0.000 1.054 467 Q HN 0.232 nan 8.270 nan 0.000 0.482 468 N N -0.706 118.022 118.700 0.047 0.000 2.776 468 N HA -0.143 4.596 4.740 -0.001 0.000 0.250 468 N C -0.599 174.934 175.510 0.037 0.000 1.112 468 N CA 0.437 53.511 53.050 0.040 0.000 0.733 468 N CB -1.790 36.719 38.487 0.036 0.000 1.097 468 N HN 0.046 nan 8.380 nan 0.000 0.558 469 V N 1.373 121.312 119.914 0.042 0.000 2.530 469 V HA 0.163 4.283 4.120 -0.001 0.000 0.282 469 V C 0.952 177.064 176.094 0.030 0.000 1.048 469 V CA -0.676 61.641 62.300 0.029 0.000 0.997 469 V CB 1.397 33.234 31.823 0.024 0.000 0.987 469 V HN 0.223 nan 8.190 nan 0.000 0.477 470 L N 7.482 128.712 121.223 0.012 0.000 2.433 470 L HA 0.312 4.651 4.340 -0.001 0.000 0.275 470 L C -0.141 176.731 176.870 0.003 0.000 1.128 470 L CA 0.769 55.611 54.840 0.004 0.000 0.875 470 L CB 0.762 42.814 42.059 -0.011 0.000 1.171 470 L HN 0.447 nan 8.230 nan 0.000 0.463 471 V N 6.487 126.420 119.914 0.032 0.000 2.398 471 V HA 0.555 4.674 4.120 -0.001 0.000 0.286 471 V C -0.052 176.070 176.094 0.048 0.000 1.026 471 V CA -0.410 61.929 62.300 0.064 0.000 0.868 471 V CB 1.555 33.488 31.823 0.184 0.000 0.982 471 V HN 0.675 nan 8.190 nan 0.000 0.443 472 V N 2.157 122.091 119.914 0.034 0.000 2.960 472 V HA 1.091 5.211 4.120 -0.001 0.000 0.315 472 V C -0.211 175.926 176.094 0.070 0.000 1.087 472 V CA -0.717 61.606 62.300 0.039 0.000 0.982 472 V CB 1.815 33.652 31.823 0.024 0.000 1.039 472 V HN 1.200 nan 8.190 nan 0.000 0.437 473 A N 2.078 124.933 122.820 0.057 0.000 2.574 473 A HA 0.984 5.304 4.320 -0.001 0.000 0.297 473 A C -0.307 177.265 177.584 -0.020 0.000 1.062 473 A CA -0.020 52.025 52.037 0.013 0.000 0.686 473 A CB 1.890 20.841 19.000 -0.081 0.000 1.285 473 A HN 1.992 nan 8.150 nan 0.000 0.403 474 T N -1.468 113.067 114.554 -0.033 0.000 2.865 474 T HA 0.844 5.193 4.350 -0.001 0.000 0.294 474 T C 0.813 175.485 174.700 -0.047 0.000 1.119 474 T CA 0.425 62.535 62.100 0.016 0.000 1.007 474 T CB 1.019 69.939 68.868 0.086 0.000 1.225 474 T HN 2.683 nan 8.240 nan 0.000 0.515 475 G N -0.028 108.794 108.800 0.035 0.000 2.596 475 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.295 475 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.295 475 G C 1.112 175.952 174.900 -0.100 0.000 1.240 475 G CA 0.291 45.411 45.100 0.033 0.000 0.985 475 G HN 1.369 nan 8.290 nan 0.000 0.555 476 C N 1.679 120.928 119.300 -0.085 0.000 2.539 476 C HA 0.366 4.826 4.460 -0.001 0.000 0.268 476 C C 2.964 177.647 174.990 -0.511 0.000 1.395 476 C CA 1.034 59.929 59.018 -0.205 0.000 1.757 476 C CB -1.337 26.415 27.740 0.019 0.000 1.851 476 C HN 1.068 nan 8.230 nan 0.000 0.545 477 G N 1.053 109.479 108.800 -0.623 0.000 2.404 477 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.215 477 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.215 477 G C 1.889 176.255 174.900 -0.890 0.000 1.174 477 G CA 0.952 45.273 45.100 -1.298 0.000 0.780 477 G HN 0.552 nan 8.290 nan 0.000 0.537 478 A N 0.946 123.414 122.820 -0.586 0.000 1.908 478 A HA 0.114 4.434 4.320 -0.001 0.000 0.218 478 A C 2.702 179.914 177.584 -0.620 0.000 1.181 478 A CA 2.183 53.835 52.037 -0.643 0.000 0.627 478 A CB -1.139 17.255 19.000 -1.010 0.000 0.818 478 A HN 0.555 nan 8.150 nan 0.000 0.445 479 G N -0.424 107.934 108.800 -0.737 0.000 2.446 479 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.217 479 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.217 479 G C 1.787 176.317 174.900 -0.617 0.000 1.168 479 G CA 1.692 46.080 45.100 -1.187 0.000 0.771 479 G HN 0.839 nan 8.290 nan 0.000 0.551 480 A N 0.522 123.034 122.820 -0.513 0.000 1.883 480 A HA 0.059 4.379 4.320 -0.001 0.000 0.217 480 A C 2.477 179.993 177.584 -0.113 0.000 1.186 480 A CA 1.489 53.394 52.037 -0.220 0.000 0.624 480 A CB -0.461 18.356 19.000 -0.305 0.000 0.822 480 A HN 0.361 nan 8.150 nan 0.000 0.444 481 L N -1.350 119.671 121.223 -0.336 0.000 2.093 481 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 481 L C 2.875 179.787 176.870 0.069 0.000 1.085 481 L CA 1.193 55.885 54.840 -0.247 0.000 0.755 481 L CB -0.468 41.330 42.059 -0.435 0.000 0.904 481 L HN 0.409 nan 8.230 nan 0.000 0.435 482 M N -0.615 118.961 119.600 -0.039 0.000 2.080 482 M HA -0.236 4.244 4.480 -0.001 0.000 0.260 482 M C 2.410 178.755 176.300 0.076 0.000 1.068 482 M CA 1.838 57.165 55.300 0.045 0.000 1.109 482 M CB -0.350 32.265 32.600 0.024 0.000 1.342 482 M HN 0.139 nan 8.290 nan 0.000 0.405 483 R N -1.072 119.449 120.500 0.035 0.000 2.237 483 R HA -0.079 4.261 4.340 -0.001 0.000 0.219 483 R C 1.110 177.311 176.300 -0.166 0.000 1.080 483 R CA 0.673 56.745 56.100 -0.047 0.000 0.995 483 R CB -0.136 30.124 30.300 -0.067 0.000 0.875 483 R HN 0.523 nan 8.270 nan 0.000 0.462 484 H N -1.360 117.798 119.070 0.147 0.000 2.542 484 H HA 0.184 4.739 4.556 -0.001 0.000 0.283 484 H C 0.964 176.390 175.328 0.163 0.000 1.059 484 H CA 0.689 56.860 56.048 0.204 0.000 1.162 484 H CB 1.310 31.264 29.762 0.321 0.000 1.539 484 H HN 0.432 nan 8.280 nan 0.000 0.543 485 G N 0.867 109.777 108.800 0.183 0.000 2.157 485 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.239 485 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.239 485 G C 0.568 175.462 174.900 -0.010 0.000 0.982 485 G CA -0.019 45.101 45.100 0.033 0.000 0.650 485 G HN 0.327 nan 8.290 nan 0.000 0.527 486 F N 0.251 120.218 119.950 0.027 0.000 2.748 486 F HA 0.422 4.948 4.527 -0.000 0.000 0.299 486 F C 2.455 178.265 175.800 0.016 0.000 1.154 486 F CA 1.054 59.062 58.000 0.013 0.000 1.446 486 F CB 0.106 39.099 39.000 -0.012 0.000 1.112 486 F HN 0.245 nan 8.300 nan 0.000 0.584 487 M N -0.920 118.786 119.600 0.177 0.000 2.484 487 M HA 0.122 4.601 4.480 -0.001 0.000 0.307 487 M C -0.472 175.894 176.300 0.110 0.000 1.149 487 M CA -0.010 55.377 55.300 0.145 0.000 0.972 487 M CB 0.285 32.983 32.600 0.164 0.000 1.400 487 M HN -0.228 nan 8.290 nan 0.000 0.508 488 D N 1.232 121.672 120.400 0.066 0.000 2.329 488 D HA 0.233 4.872 4.640 -0.001 0.000 0.232 488 D C -1.970 174.345 176.300 0.025 0.000 1.088 488 D CA -2.049 51.975 54.000 0.041 0.000 0.835 488 D CB 1.900 42.709 40.800 0.015 0.000 1.078 488 D HN -0.077 nan 8.370 nan 0.000 0.495 489 P HA -0.078 nan 4.420 nan 0.000 0.221 489 P C 0.920 178.225 177.300 0.008 0.000 1.145 489 P CA 0.769 63.886 63.100 0.028 0.000 0.795 489 P CB 0.173 31.899 31.700 0.043 0.000 0.775 490 A N -0.421 122.401 122.820 0.003 0.000 2.125 490 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 490 A C 1.762 179.331 177.584 -0.026 0.000 1.156 490 A CA 1.447 53.480 52.037 -0.008 0.000 0.671 490 A CB -1.470 17.526 19.000 -0.007 0.000 0.794 490 A HN 0.293 nan 8.150 nan 0.000 0.459 491 N N -0.863 117.811 118.700 -0.042 0.000 2.280 491 N HA 0.131 4.871 4.740 -0.001 0.000 0.192 491 N C 1.055 176.522 175.510 -0.072 0.000 1.109 491 N CA 0.140 53.143 53.050 -0.079 0.000 0.855 491 N CB 0.424 38.826 38.487 -0.142 0.000 0.974 491 N HN 0.205 nan 8.380 nan 0.000 0.482 492 V N 1.312 121.203 119.914 -0.038 0.000 2.287 492 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 492 V C 1.627 177.708 176.094 -0.021 0.000 1.053 492 V CA 1.776 64.062 62.300 -0.022 0.000 1.027 492 V CB -0.302 31.517 31.823 -0.006 0.000 0.646 492 V HN 0.318 nan 8.190 nan 0.000 0.447 493 D N -0.493 119.895 120.400 -0.020 0.000 2.123 493 D HA -0.197 4.443 4.640 -0.001 0.000 0.196 493 D C 2.201 178.488 176.300 -0.022 0.000 0.992 493 D CA 1.555 55.545 54.000 -0.016 0.000 0.833 493 D CB -0.166 40.626 40.800 -0.014 0.000 0.954 493 D HN 0.597 nan 8.370 nan 0.000 0.455 494 E N -0.064 120.113 120.200 -0.037 0.000 2.072 494 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 494 E C 2.102 178.675 176.600 -0.045 0.000 0.985 494 E CA 0.548 56.921 56.400 -0.045 0.000 0.801 494 E CB 0.079 29.739 29.700 -0.067 0.000 0.750 494 E HN 0.235 nan 8.360 nan 0.000 0.452 495 L N 0.047 121.235 121.223 -0.058 0.000 2.298 495 L HA 0.122 4.462 4.340 -0.001 0.000 0.209 495 L C 0.803 177.680 176.870 0.011 0.000 1.084 495 L CA -0.198 54.614 54.840 -0.045 0.000 0.816 495 L CB 0.564 42.557 42.059 -0.110 0.000 0.967 495 L HN 0.140 nan 8.230 nan 0.000 0.460 496 C N 0.793 120.098 119.300 0.009 0.000 2.350 496 C HA 0.594 5.054 4.460 -0.001 0.000 0.348 496 C C 1.195 176.198 174.990 0.022 0.000 1.260 496 C CA -1.434 57.599 59.018 0.025 0.000 1.966 496 C CB 0.485 28.236 27.740 0.020 0.000 2.380 496 C HN 0.439 nan 8.230 nan 0.000 0.535 497 G N 1.977 110.795 108.800 0.029 0.000 2.690 497 G HA2 0.116 4.075 3.960 -0.001 0.000 0.239 497 G HA3 0.116 4.075 3.960 -0.001 0.000 0.239 497 G C 0.493 175.404 174.900 0.018 0.000 1.233 497 G CA -0.006 45.109 45.100 0.025 0.000 0.847 497 G HN 0.821 nan 8.290 nan 0.000 0.588 498 D N 1.010 121.419 120.400 0.015 0.000 2.123 498 D HA -0.115 4.524 4.640 -0.001 0.000 0.196 498 D C 2.558 178.865 176.300 0.012 0.000 0.992 498 D CA 1.652 55.658 54.000 0.011 0.000 0.833 498 D CB -0.560 40.245 40.800 0.009 0.000 0.954 498 D HN 0.470 nan 8.370 nan 0.000 0.455 499 G N 0.953 109.762 108.800 0.015 0.000 2.433 499 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.216 499 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.216 499 G C 1.599 176.508 174.900 0.015 0.000 1.186 499 G CA 0.766 45.875 45.100 0.015 0.000 0.779 499 G HN 0.264 nan 8.290 nan 0.000 0.543 500 L N 0.939 122.173 121.223 0.018 0.000 2.017 500 L HA 0.047 4.387 4.340 -0.001 0.000 0.208 500 L C 2.667 179.544 176.870 0.011 0.000 1.073 500 L CA 2.660 57.510 54.840 0.016 0.000 0.745 500 L CB -0.684 41.389 42.059 0.023 0.000 0.894 500 L HN 0.293 nan 8.230 nan 0.000 0.432 501 K N -0.560 119.847 120.400 0.011 0.000 2.044 501 K HA -0.233 4.086 4.320 -0.001 0.000 0.210 501 K C 2.013 178.617 176.600 0.007 0.000 1.049 501 K CA 1.696 57.988 56.287 0.008 0.000 0.927 501 K CB -0.377 32.127 32.500 0.007 0.000 0.713 501 K HN 0.475 nan 8.250 nan 0.000 0.443 502 A N 0.500 123.325 122.820 0.008 0.000 1.883 502 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 502 A C 2.270 179.858 177.584 0.008 0.000 1.186 502 A CA 1.989 54.031 52.037 0.008 0.000 0.624 502 A CB -0.733 18.272 19.000 0.008 0.000 0.822 502 A HN 0.204 nan 8.150 nan 0.000 0.444 503 V N 0.006 119.925 119.914 0.007 0.000 2.323 503 V HA -0.219 3.901 4.120 -0.001 0.000 0.244 503 V C 2.559 178.655 176.094 0.002 0.000 1.041 503 V CA 1.814 64.117 62.300 0.005 0.000 1.025 503 V CB -0.787 31.038 31.823 0.004 0.000 0.656 503 V HN 0.565 nan 8.190 nan 0.000 0.451 504 L N -0.179 121.042 121.223 -0.002 0.000 2.079 504 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 504 L C 2.606 179.478 176.870 0.005 0.000 1.081 504 L CA 1.983 56.818 54.840 -0.008 0.000 0.752 504 L CB -1.050 41.002 42.059 -0.012 0.000 0.896 504 L HN 0.376 nan 8.230 nan 0.000 0.433 505 T N -0.197 114.362 114.554 0.008 0.000 2.737 505 T HA -0.120 4.230 4.350 -0.001 0.000 0.265 505 T C 2.069 176.778 174.700 0.015 0.000 1.038 505 T CA 1.223 63.331 62.100 0.013 0.000 1.144 505 T CB -0.254 68.621 68.868 0.010 0.000 0.866 505 T HN 0.435 nan 8.240 nan 0.000 0.434 506 A N 1.307 124.135 122.820 0.013 0.000 1.883 506 A HA -0.087 4.232 4.320 -0.001 0.000 0.217 506 A C 2.290 179.885 177.584 0.019 0.000 1.186 506 A CA 1.496 53.542 52.037 0.015 0.000 0.624 506 A CB -0.878 18.129 19.000 0.013 0.000 0.822 506 A HN 0.535 nan 8.150 nan 0.000 0.444 507 I N -0.504 120.078 120.570 0.020 0.000 2.202 507 I HA -0.163 4.006 4.170 -0.001 0.000 0.242 507 I C 2.743 178.885 176.117 0.041 0.000 1.091 507 I CA 1.082 62.399 61.300 0.029 0.000 1.368 507 I CB -0.754 37.260 38.000 0.024 0.000 1.058 507 I HN 0.386 nan 8.210 nan 0.000 0.410 508 G N 0.436 109.260 108.800 0.040 0.000 2.446 508 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.217 508 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.217 508 G C 1.538 176.463 174.900 0.041 0.000 1.168 508 G CA 0.685 45.816 45.100 0.051 0.000 0.771 508 G HN 0.420 nan 8.290 nan 0.000 0.551 509 E N 0.389 120.607 120.200 0.030 0.000 2.204 509 E HA 0.040 4.390 4.350 -0.001 0.000 0.194 509 E C 2.780 179.395 176.600 0.025 0.000 0.989 509 E CA 0.575 56.990 56.400 0.025 0.000 0.824 509 E CB -0.096 29.616 29.700 0.019 0.000 0.756 509 E HN 0.437 nan 8.360 nan 0.000 0.477 510 A N 1.187 124.023 122.820 0.027 0.000 2.119 510 A HA -0.055 4.264 4.320 -0.001 0.000 0.216 510 A C 1.573 179.174 177.584 0.029 0.000 1.152 510 A CA 0.650 52.702 52.037 0.025 0.000 0.708 510 A CB -0.032 18.983 19.000 0.025 0.000 0.805 510 A HN 0.124 nan 8.150 nan 0.000 0.460 511 N N -0.645 118.077 118.700 0.037 0.000 2.268 511 N HA 0.164 4.904 4.740 -0.001 0.000 0.204 511 N C 0.883 176.413 175.510 0.033 0.000 1.124 511 N CA 0.731 53.805 53.050 0.040 0.000 0.838 511 N CB 0.547 39.070 38.487 0.060 0.000 0.994 511 N HN 0.567 nan 8.380 nan 0.000 0.489 512 G N 1.095 109.912 108.800 0.028 0.000 2.141 512 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.242 512 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.242 512 G C 0.788 175.702 174.900 0.024 0.000 0.982 512 G CA -0.085 45.028 45.100 0.023 0.000 0.662 512 G HN 0.318 nan 8.290 nan 0.000 0.527 513 L N 0.185 121.426 121.223 0.031 0.000 2.341 513 L HA 0.316 4.656 4.340 -0.001 0.000 0.214 513 L C 2.399 179.285 176.870 0.026 0.000 1.115 513 L CA 0.909 55.769 54.840 0.033 0.000 0.820 513 L CB -0.292 41.795 42.059 0.047 0.000 0.944 513 L HN 1.023 nan 8.230 nan 0.000 0.452 514 G N 0.277 109.090 108.800 0.023 0.000 2.179 514 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.257 514 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.257 514 G C 0.398 175.309 174.900 0.019 0.000 1.010 514 G CA 0.198 45.309 45.100 0.018 0.000 0.736 514 G HN 0.704 nan 8.290 nan 0.000 0.513 515 G N -1.444 107.370 108.800 0.023 0.000 2.466 515 G HA2 0.735 4.694 3.960 -0.001 0.000 0.291 515 G HA3 0.735 4.694 3.960 -0.001 0.000 0.291 515 G C -3.267 171.651 174.900 0.030 0.000 1.460 515 G CA 0.029 45.143 45.100 0.023 0.000 0.791 515 G HN 0.368 nan 8.290 nan 0.000 0.505 516 P HA 0.404 nan 4.420 nan 0.000 0.276 516 P C 0.477 177.802 177.300 0.041 0.000 1.252 516 P CA -0.457 62.659 63.100 0.026 0.000 0.802 516 P CB 1.142 32.851 31.700 0.015 0.000 1.035 517 L N 1.585 122.828 121.223 0.034 0.000 2.483 517 L HA 0.100 4.439 4.340 -0.001 0.000 0.277 517 L C -1.520 175.356 176.870 0.011 0.000 1.248 517 L CA -1.343 53.514 54.840 0.029 0.000 0.825 517 L CB -0.711 41.306 42.059 -0.069 0.000 1.096 517 L HN 0.319 nan 8.230 nan 0.000 0.512 518 P HA 0.105 nan 4.420 nan 0.000 0.272 518 P C -2.305 174.994 177.300 -0.002 0.000 1.240 518 P CA -1.451 61.667 63.100 0.031 0.000 0.791 518 P CB -0.074 31.680 31.700 0.090 0.000 0.978 519 P HA -0.092 nan 4.420 nan 0.000 0.218 519 P C 0.097 177.444 177.300 0.079 0.000 1.148 519 P CA 1.398 64.532 63.100 0.056 0.000 0.822 519 P CB 0.128 31.873 31.700 0.076 0.000 0.784 520 V N -0.170 119.796 119.914 0.087 0.000 2.656 520 V HA 0.255 4.375 4.120 -0.001 0.000 0.307 520 V C -0.190 175.904 176.094 0.001 0.000 1.051 520 V CA -0.839 61.504 62.300 0.070 0.000 0.893 520 V CB 2.275 34.170 31.823 0.120 0.000 0.999 520 V HN -0.171 nan 8.190 nan 0.000 0.426 521 L N 4.227 125.416 121.223 -0.058 0.000 2.257 521 L HA 0.449 4.788 4.340 -0.001 0.000 0.290 521 L C -0.115 176.837 176.870 0.137 0.000 1.044 521 L CA -0.611 54.152 54.840 -0.128 0.000 0.810 521 L CB 0.579 42.451 42.059 -0.312 0.000 1.193 521 L HN 0.639 nan 8.230 nan 0.000 0.425 522 H N 5.227 124.413 119.070 0.193 0.000 2.864 522 H HA 0.201 4.756 4.556 -0.001 0.000 0.281 522 H C 0.318 175.760 175.328 0.189 0.000 1.093 522 H CA -0.008 56.140 56.048 0.167 0.000 1.453 522 H CB 1.109 30.968 29.762 0.161 0.000 1.462 522 H HN 0.613 nan 8.280 nan 0.000 0.480 523 M N 3.448 123.307 119.600 0.431 0.000 2.428 523 M HA 0.193 4.673 4.480 -0.001 0.000 0.239 523 M C 1.004 177.416 176.300 0.187 0.000 1.121 523 M CA 0.569 56.015 55.300 0.244 0.000 1.019 523 M CB 0.700 33.396 32.600 0.161 0.000 1.485 523 M HN 0.822 nan 8.290 nan 0.000 0.484 524 G N 0.503 109.492 108.800 0.315 0.000 2.295 524 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.195 524 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.195 524 G C -0.377 174.663 174.900 0.234 0.000 1.269 524 G CA -0.289 44.888 45.100 0.129 0.000 1.170 524 G HN 0.403 nan 8.290 nan 0.000 0.511 525 S N -0.995 114.784 115.700 0.132 0.000 2.640 525 S HA 0.392 4.862 4.470 -0.001 0.000 0.262 525 S C 1.631 176.312 174.600 0.136 0.000 1.232 525 S CA 0.620 58.904 58.200 0.139 0.000 0.988 525 S CB 0.857 64.134 63.200 0.127 0.000 1.034 525 S HN 1.400 nan 8.310 nan 0.000 0.569 526 C N 0.329 119.733 119.300 0.173 0.000 2.429 526 C HA -0.049 4.411 4.460 -0.001 0.000 0.277 526 C C 2.903 177.932 174.990 0.066 0.000 1.262 526 C CA 0.725 59.848 59.018 0.174 0.000 1.733 526 C CB -1.759 26.168 27.740 0.311 0.000 2.010 526 C HN 0.800 nan 8.230 nan 0.000 0.483 527 V N 0.104 120.027 119.914 0.014 0.000 2.490 527 V HA -0.160 3.959 4.120 -0.001 0.000 0.250 527 V C 1.495 177.552 176.094 -0.062 0.000 1.061 527 V CA 2.446 64.665 62.300 -0.134 0.000 1.064 527 V CB -0.934 30.748 31.823 -0.235 0.000 0.670 527 V HN 0.360 nan 8.190 nan 0.000 0.461 528 D N 0.904 121.303 120.400 -0.002 0.000 2.392 528 D HA -0.061 4.579 4.640 -0.001 0.000 0.228 528 D C 1.825 178.147 176.300 0.038 0.000 1.003 528 D CA 0.518 54.517 54.000 -0.001 0.000 0.917 528 D CB -0.601 40.217 40.800 0.031 0.000 0.890 528 D HN 0.503 nan 8.370 nan 0.000 0.532 529 N N 0.431 119.188 118.700 0.096 0.000 2.258 529 N HA -0.160 4.580 4.740 -0.001 0.000 0.187 529 N C 1.763 177.388 175.510 0.190 0.000 1.012 529 N CA 1.066 54.232 53.050 0.194 0.000 0.870 529 N CB -0.133 38.541 38.487 0.311 0.000 0.977 529 N HN 0.270 nan 8.380 nan 0.000 0.434 530 S N 0.882 116.591 115.700 0.015 0.000 2.419 530 S HA -0.058 4.412 4.470 -0.001 0.000 0.233 530 S C 1.824 176.245 174.600 -0.299 0.000 1.016 530 S CA 0.493 58.565 58.200 -0.213 0.000 0.974 530 S CB -0.140 62.818 63.200 -0.405 0.000 0.786 530 S HN 0.300 nan 8.310 nan 0.000 0.492 531 R N 1.407 121.798 120.500 -0.183 0.000 2.075 531 R HA 0.100 4.440 4.340 -0.001 0.000 0.232 531 R C 2.796 179.080 176.300 -0.027 0.000 1.126 531 R CA 1.234 57.260 56.100 -0.125 0.000 0.963 531 R CB -0.831 29.440 30.300 -0.048 0.000 0.858 531 R HN 0.574 nan 8.270 nan 0.000 0.435 532 A N 0.967 123.805 122.820 0.030 0.000 1.902 532 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 532 A C 2.395 180.024 177.584 0.076 0.000 1.181 532 A CA 1.393 53.469 52.037 0.065 0.000 0.623 532 A CB -0.555 18.500 19.000 0.092 0.000 0.818 532 A HN 0.106 nan 8.150 nan 0.000 0.443 533 V N -0.084 119.886 119.914 0.093 0.000 2.287 533 V HA -0.283 3.837 4.120 -0.001 0.000 0.248 533 V C 3.069 179.224 176.094 0.101 0.000 1.053 533 V CA 2.021 64.383 62.300 0.102 0.000 1.027 533 V CB -1.315 30.549 31.823 0.067 0.000 0.646 533 V HN 0.626 nan 8.190 nan 0.000 0.447 534 A N -0.276 122.596 122.820 0.086 0.000 1.908 534 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 534 A C 2.174 179.799 177.584 0.068 0.000 1.181 534 A CA 2.227 54.332 52.037 0.113 0.000 0.627 534 A CB -0.582 18.454 19.000 0.060 0.000 0.818 534 A HN 0.456 nan 8.150 nan 0.000 0.445 535 L N -0.117 121.134 121.223 0.047 0.000 2.027 535 L HA -0.091 4.248 4.340 -0.001 0.000 0.206 535 L C 2.415 179.308 176.870 0.038 0.000 1.074 535 L CA 1.991 56.856 54.840 0.041 0.000 0.745 535 L CB -0.588 41.494 42.059 0.038 0.000 0.898 535 L HN 0.154 nan 8.230 nan 0.000 0.433 536 V N 0.144 120.083 119.914 0.042 0.000 2.343 536 V HA -0.265 3.854 4.120 -0.001 0.000 0.247 536 V C 2.798 178.911 176.094 0.032 0.000 1.051 536 V CA 1.575 63.896 62.300 0.035 0.000 1.036 536 V CB -1.433 30.414 31.823 0.040 0.000 0.654 536 V HN 0.599 nan 8.190 nan 0.000 0.451 537 A N 0.006 122.851 122.820 0.041 0.000 1.933 537 A HA -0.087 4.233 4.320 -0.001 0.000 0.218 537 A C 2.415 180.013 177.584 0.023 0.000 1.175 537 A CA 2.003 54.058 52.037 0.030 0.000 0.628 537 A CB -0.700 18.321 19.000 0.036 0.000 0.814 537 A HN 0.563 nan 8.150 nan 0.000 0.444 538 A N -0.285 122.553 122.820 0.030 0.000 1.898 538 A HA -0.002 4.318 4.320 -0.001 0.000 0.216 538 A C 2.157 179.751 177.584 0.018 0.000 1.181 538 A CA 1.408 53.459 52.037 0.023 0.000 0.620 538 A CB -0.564 18.454 19.000 0.030 0.000 0.819 538 A HN 0.463 nan 8.150 nan 0.000 0.442 539 L N -0.739 120.496 121.223 0.019 0.000 2.046 539 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 539 L C 3.123 180.000 176.870 0.012 0.000 1.077 539 L CA 1.075 55.925 54.840 0.015 0.000 0.747 539 L CB -0.562 41.506 42.059 0.015 0.000 0.896 539 L HN 0.440 nan 8.230 nan 0.000 0.432 540 A N 0.221 123.048 122.820 0.012 0.000 1.883 540 A HA -0.280 4.039 4.320 -0.001 0.000 0.217 540 A C 2.093 179.680 177.584 0.005 0.000 1.186 540 A CA 2.332 54.374 52.037 0.008 0.000 0.624 540 A CB -0.739 18.266 19.000 0.008 0.000 0.822 540 A HN 0.458 nan 8.150 nan 0.000 0.444 541 N N -0.614 118.089 118.700 0.004 0.000 2.188 541 N HA -0.162 4.578 4.740 -0.001 0.000 0.184 541 N C 1.821 177.332 175.510 0.002 0.000 1.018 541 N CA 1.527 54.577 53.050 0.000 0.000 0.858 541 N CB -0.307 38.179 38.487 -0.003 0.000 0.989 541 N HN 0.373 nan 8.380 nan 0.000 0.426 542 R N 0.348 120.851 120.500 0.006 0.000 2.096 542 R HA 0.104 4.444 4.340 -0.001 0.000 0.235 542 R C 1.798 178.102 176.300 0.006 0.000 1.127 542 R CA 1.211 57.315 56.100 0.006 0.000 0.968 542 R CB -0.549 29.757 30.300 0.009 0.000 0.861 542 R HN 0.321 nan 8.270 nan 0.000 0.440 543 L N -1.045 120.182 121.223 0.007 0.000 2.446 543 L HA 0.249 4.589 4.340 -0.001 0.000 0.219 543 L C 1.132 178.006 176.870 0.006 0.000 1.116 543 L CA 0.546 55.391 54.840 0.007 0.000 0.844 543 L CB -0.059 42.005 42.059 0.009 0.000 0.970 543 L HN 0.563 nan 8.230 nan 0.000 0.457 544 G N 1.011 109.813 108.800 0.004 0.000 2.176 544 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.252 544 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.252 544 G C 0.112 175.014 174.900 0.003 0.000 1.024 544 G CA 0.370 45.471 45.100 0.002 0.000 0.755 544 G HN 0.315 nan 8.290 nan 0.000 0.507 545 V N -3.850 116.066 119.914 0.004 0.000 3.126 545 V HA 0.898 5.017 4.120 -0.001 0.000 0.314 545 V C 0.104 176.201 176.094 0.005 0.000 1.138 545 V CA -1.051 61.252 62.300 0.005 0.000 1.034 545 V CB 2.159 33.986 31.823 0.007 0.000 1.075 545 V HN 0.129 nan 8.190 nan 0.000 0.442 546 D N 0.077 120.482 120.400 0.007 0.000 2.354 546 D HA 0.353 4.993 4.640 -0.001 0.000 0.247 546 D C 0.931 177.236 176.300 0.009 0.000 1.138 546 D CA -0.300 53.705 54.000 0.008 0.000 0.958 546 D CB 1.554 42.361 40.800 0.011 0.000 1.144 546 D HN 0.490 nan 8.370 nan 0.000 0.458 547 L N 1.188 122.417 121.223 0.010 0.000 2.191 547 L HA -0.122 4.218 4.340 -0.001 0.000 0.212 547 L C 1.700 178.573 176.870 0.006 0.000 1.103 547 L CA 1.306 56.152 54.840 0.010 0.000 0.769 547 L CB -0.771 41.298 42.059 0.016 0.000 0.908 547 L HN 0.519 nan 8.230 nan 0.000 0.438 548 D N -0.991 119.415 120.400 0.010 0.000 2.363 548 D HA -0.138 4.501 4.640 -0.001 0.000 0.226 548 D C 1.705 178.014 176.300 0.014 0.000 1.020 548 D CA 0.524 54.532 54.000 0.014 0.000 0.892 548 D CB -0.154 40.661 40.800 0.025 0.000 0.900 548 D HN 0.316 nan 8.370 nan 0.000 0.531 549 R N -0.377 120.128 120.500 0.009 0.000 2.365 549 R HA 0.307 4.647 4.340 -0.001 0.000 0.223 549 R C 0.418 176.718 176.300 0.001 0.000 0.899 549 R CA -0.271 55.832 56.100 0.006 0.000 1.059 549 R CB 0.743 31.047 30.300 0.007 0.000 1.086 549 R HN 0.162 nan 8.270 nan 0.000 0.522 550 L N 3.299 124.521 121.223 -0.002 0.000 2.375 550 L HA 0.266 4.605 4.340 -0.001 0.000 0.271 550 L C -1.838 175.023 176.870 -0.016 0.000 1.107 550 L CA -1.994 52.843 54.840 -0.005 0.000 0.806 550 L CB 0.850 42.907 42.059 -0.003 0.000 1.146 550 L HN -0.243 nan 8.230 nan 0.000 0.447 551 P HA 0.114 nan 4.420 nan 0.000 0.230 551 P C -0.860 176.418 177.300 -0.036 0.000 1.791 551 P CA 0.090 63.174 63.100 -0.027 0.000 1.020 551 P CB 0.112 31.804 31.700 -0.014 0.000 1.977 552 V N 2.581 122.466 119.914 -0.047 0.000 2.638 552 V HA 0.456 4.575 4.120 -0.001 0.000 0.306 552 V C 0.426 176.464 176.094 -0.094 0.000 1.052 552 V CA -0.847 61.417 62.300 -0.060 0.000 0.885 552 V CB 2.496 34.296 31.823 -0.038 0.000 0.999 552 V HN 0.243 nan 8.190 nan 0.000 0.424 553 V N 1.495 121.335 119.914 -0.123 0.000 3.102 553 V HA 1.094 5.214 4.120 -0.001 0.000 0.312 553 V C -0.242 175.741 176.094 -0.186 0.000 1.135 553 V CA -0.800 61.401 62.300 -0.166 0.000 1.022 553 V CB 1.956 33.676 31.823 -0.171 0.000 1.056 553 V HN 1.217 nan 8.190 nan 0.000 0.436 554 A N 0.964 123.666 122.820 -0.197 0.000 2.413 554 A HA 0.931 5.251 4.320 -0.001 0.000 0.307 554 A C -0.369 177.124 177.584 -0.152 0.000 1.087 554 A CA -0.227 51.694 52.037 -0.194 0.000 0.750 554 A CB 1.941 20.833 19.000 -0.181 0.000 1.296 554 A HN 1.792 nan 8.150 nan 0.000 0.423 555 S N 0.410 116.034 115.700 -0.126 0.000 2.775 555 S HA 0.555 5.025 4.470 -0.001 0.000 0.277 555 S C -0.492 174.199 174.600 0.152 0.000 1.156 555 S CA 0.218 58.457 58.200 0.065 0.000 1.081 555 S CB 0.703 63.977 63.200 0.123 0.000 1.054 555 S HN 1.870 nan 8.310 nan 0.000 0.482 556 A N 4.175 127.012 122.820 0.028 0.000 3.015 556 A HA 0.660 4.980 4.320 -0.001 0.000 0.293 556 A C 1.348 178.859 177.584 -0.121 0.000 1.572 556 A CA 0.047 52.102 52.037 0.031 0.000 1.274 556 A CB -0.634 18.358 19.000 -0.013 0.000 1.156 556 A HN 1.208 nan 8.150 nan 0.000 0.562 557 A N 1.272 123.994 122.820 -0.164 0.000 2.066 557 A HA 0.029 4.349 4.320 -0.001 0.000 0.218 557 A C 1.008 178.304 177.584 -0.481 0.000 1.157 557 A CA 1.212 53.031 52.037 -0.363 0.000 0.670 557 A CB -0.015 18.664 19.000 -0.535 0.000 0.804 557 A HN 0.678 nan 8.150 nan 0.000 0.453 558 E N -0.537 119.370 120.200 -0.487 0.000 3.729 558 E HA 0.403 4.753 4.350 -0.001 0.000 0.195 558 E C -0.250 176.299 176.600 -0.085 0.000 1.005 558 E CA -0.241 55.997 56.400 -0.270 0.000 1.356 558 E CB 0.745 30.283 29.700 -0.269 0.000 1.138 558 E HN 0.469 nan 8.360 nan 0.000 0.450 559 A N 1.334 124.106 122.820 -0.079 0.000 2.520 559 A HA 0.164 4.483 4.320 -0.001 0.000 0.235 559 A C 0.747 178.322 177.584 -0.015 0.000 1.065 559 A CA 0.409 52.438 52.037 -0.013 0.000 0.764 559 A CB 0.486 19.463 19.000 -0.038 0.000 1.002 559 A HN 0.418 nan 8.150 nan 0.000 0.502 560 M N 0.844 120.462 119.600 0.030 0.000 2.146 560 M HA 0.112 4.591 4.480 -0.001 0.000 0.194 560 M C 0.413 176.730 176.300 0.029 0.000 1.652 560 M CA 0.288 55.595 55.300 0.013 0.000 0.986 560 M CB -0.353 32.264 32.600 0.027 0.000 1.496 560 M HN 0.909 nan 8.290 nan 0.000 0.576 561 H N 2.324 121.394 119.070 0.001 0.000 2.615 561 H HA 0.115 4.671 4.556 -0.000 0.000 0.363 561 H C 0.373 175.689 175.328 -0.019 0.000 1.148 561 H CA 1.043 57.086 56.048 -0.008 0.000 1.401 561 H CB 1.178 30.943 29.762 0.005 0.000 1.461 561 H HN 0.372 nan 8.280 nan 0.000 0.588 562 E N 2.575 122.684 120.200 -0.152 0.000 2.130 562 E HA -0.218 4.131 4.350 -0.001 0.000 0.196 562 E C 1.823 178.516 176.600 0.156 0.000 0.998 562 E CA 1.352 57.749 56.400 -0.005 0.000 0.806 562 E CB 0.196 29.841 29.700 -0.092 0.000 0.738 562 E HN 0.572 nan 8.360 nan 0.000 0.459 563 K N 0.190 120.807 120.400 0.361 0.000 2.103 563 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 563 K C 2.149 178.858 176.600 0.182 0.000 1.048 563 K CA 1.140 57.492 56.287 0.109 0.000 0.930 563 K CB -0.119 32.236 32.500 -0.242 0.000 0.716 563 K HN 0.081 nan 8.250 nan 0.000 0.444 564 A N 0.889 123.804 122.820 0.159 0.000 1.969 564 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 564 A C 2.323 179.933 177.584 0.044 0.000 1.169 564 A CA 1.096 53.191 52.037 0.097 0.000 0.635 564 A CB -0.435 18.623 19.000 0.096 0.000 0.810 564 A HN 0.061 nan 8.150 nan 0.000 0.445 565 V N -0.083 119.861 119.914 0.050 0.000 2.343 565 V HA -0.244 3.876 4.120 -0.001 0.000 0.247 565 V C 3.047 179.180 176.094 0.066 0.000 1.051 565 V CA 1.887 64.207 62.300 0.033 0.000 1.036 565 V CB -1.233 30.591 31.823 0.003 0.000 0.654 565 V HN 0.600 nan 8.190 nan 0.000 0.451 566 A N -0.011 122.862 122.820 0.089 0.000 1.877 566 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 566 A C 2.188 179.754 177.584 -0.030 0.000 1.186 566 A CA 1.990 54.106 52.037 0.131 0.000 0.620 566 A CB -0.556 18.584 19.000 0.232 0.000 0.822 566 A HN 0.494 nan 8.150 nan 0.000 0.443 567 I N -0.271 120.191 120.570 -0.181 0.000 2.179 567 I HA -0.215 3.954 4.170 -0.001 0.000 0.242 567 I C 2.739 178.326 176.117 -0.883 0.000 1.088 567 I CA 1.213 61.999 61.300 -0.857 0.000 1.357 567 I CB -0.657 37.069 38.000 -0.456 0.000 1.051 567 I HN 0.395 nan 8.210 nan 0.000 0.409 568 G N 0.051 108.654 108.800 -0.329 0.000 2.469 568 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.219 568 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.219 568 G C 1.651 176.437 174.900 -0.191 0.000 1.150 568 G CA 1.605 46.615 45.100 -0.150 0.000 0.763 568 G HN 0.319 nan 8.290 nan 0.000 0.561 569 T N 0.753 115.333 114.554 0.043 0.000 2.777 569 T HA -0.116 4.234 4.350 -0.001 0.000 0.266 569 T C 2.047 176.768 174.700 0.035 0.000 1.040 569 T CA 1.342 63.507 62.100 0.107 0.000 1.141 569 T CB -0.334 68.672 68.868 0.230 0.000 0.868 569 T HN 0.798 nan 8.240 nan 0.000 0.444 570 W N 1.774 123.085 121.300 0.017 0.000 2.467 570 W HA 0.257 4.917 4.660 -0.001 0.000 0.275 570 W C 2.177 178.661 176.519 -0.058 0.000 1.239 570 W CA 0.329 57.669 57.345 -0.010 0.000 1.266 570 W CB -0.747 28.725 29.460 0.019 0.000 1.112 570 W HN 0.217 nan 8.180 nan 0.000 0.576 571 A N 2.008 124.777 122.820 -0.084 0.000 1.908 571 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 571 A C 2.245 179.751 177.584 -0.131 0.000 1.181 571 A CA 2.644 54.621 52.037 -0.100 0.000 0.627 571 A CB -1.096 17.683 19.000 -0.368 0.000 0.818 571 A HN 0.155 nan 8.150 nan 0.000 0.445 572 V N -0.312 119.424 119.914 -0.296 0.000 2.343 572 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 572 V C 2.721 178.749 176.094 -0.110 0.000 1.051 572 V CA 2.457 64.568 62.300 -0.315 0.000 1.036 572 V CB -1.178 30.310 31.823 -0.559 0.000 0.654 572 V HN 0.619 nan 8.190 nan 0.000 0.451 573 T N 1.146 115.691 114.554 -0.016 0.000 2.867 573 T HA -0.074 4.276 4.350 -0.001 0.000 0.268 573 T C 1.710 176.442 174.700 0.052 0.000 1.057 573 T CA 1.809 63.933 62.100 0.040 0.000 1.136 573 T CB -0.294 68.633 68.868 0.098 0.000 0.874 573 T HN 0.706 nan 8.240 nan 0.000 0.466 574 I N -1.427 119.195 120.570 0.087 0.000 3.428 574 I HA 0.411 4.581 4.170 -0.001 0.000 0.286 574 I C 1.426 177.565 176.117 0.036 0.000 1.287 574 I CA 0.495 61.838 61.300 0.072 0.000 1.396 574 I CB -0.203 37.864 38.000 0.113 0.000 1.062 574 I HN 0.304 nan 8.210 nan 0.000 0.471 575 G N 1.606 110.410 108.800 0.007 0.000 2.151 575 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.140 575 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.140 575 G C -0.203 174.667 174.900 -0.050 0.000 1.020 575 G CA -0.373 44.722 45.100 -0.010 0.000 0.688 575 G HN 0.276 nan 8.290 nan 0.000 0.500 576 L N 0.784 121.944 121.223 -0.104 0.000 2.307 576 L HA 0.471 4.811 4.340 -0.001 0.000 0.282 576 L C -2.173 174.480 176.870 -0.362 0.000 1.051 576 L CA -2.324 52.409 54.840 -0.178 0.000 0.804 576 L CB 1.578 43.548 42.059 -0.148 0.000 1.197 576 L HN -0.157 nan 8.230 nan 0.000 0.431 577 P HA 0.074 nan 4.420 nan 0.000 0.267 577 P C -0.881 176.120 177.300 -0.498 0.000 1.209 577 P CA 0.117 62.708 63.100 -0.849 0.000 0.763 577 P CB 0.558 31.840 31.700 -0.696 0.000 0.816 578 T N 3.133 117.400 114.554 -0.479 0.000 2.930 578 T HA 0.169 4.519 4.350 -0.001 0.000 0.313 578 T C -0.601 174.053 174.700 -0.075 0.000 1.019 578 T CA -0.431 61.487 62.100 -0.303 0.000 1.004 578 T CB 0.052 68.628 68.868 -0.487 0.000 0.987 578 T HN 0.436 nan 8.240 nan 0.000 0.456 579 H N 4.214 123.227 119.070 -0.094 0.000 2.610 579 H HA 0.555 5.111 4.556 -0.000 0.000 0.336 579 H C -0.955 174.403 175.328 0.050 0.000 1.087 579 H CA -0.282 55.763 56.048 -0.005 0.000 1.405 579 H CB 0.788 30.530 29.762 -0.033 0.000 1.460 579 H HN 0.536 nan 8.280 nan 0.000 0.538 580 I N 3.886 124.140 120.570 -0.526 0.000 2.466 580 I HA 0.263 4.433 4.170 -0.001 0.000 0.289 580 I C 0.594 176.278 176.117 -0.722 0.000 1.026 580 I CA -0.520 60.458 61.300 -0.536 0.000 1.078 580 I CB 1.515 39.397 38.000 -0.196 0.000 1.249 580 I HN 0.801 nan 8.210 nan 0.000 0.429 581 G N 6.591 115.035 108.800 -0.594 0.000 3.233 581 G HA2 0.343 4.303 3.960 -0.001 0.000 0.234 581 G HA3 0.343 4.303 3.960 -0.001 0.000 0.234 581 G C -0.021 174.798 174.900 -0.135 0.000 1.137 581 G CA 0.399 45.341 45.100 -0.263 0.000 0.763 581 G HN 0.513 nan 8.290 nan 0.000 0.549 582 V N -2.961 116.861 119.914 -0.154 0.000 3.040 582 V HA 0.712 4.832 4.120 -0.001 0.000 0.312 582 V C -0.768 175.262 176.094 -0.108 0.000 1.115 582 V CA -1.696 60.540 62.300 -0.107 0.000 0.998 582 V CB 2.149 33.908 31.823 -0.106 0.000 1.042 582 V HN -0.127 nan 8.190 nan 0.000 0.433 583 L N 5.024 126.198 121.223 -0.081 0.000 2.315 583 L HA 0.572 4.912 4.340 -0.001 0.000 0.283 583 L C -1.930 174.878 176.870 -0.103 0.000 1.089 583 L CA -1.315 53.475 54.840 -0.083 0.000 0.833 583 L CB 0.430 42.457 42.059 -0.053 0.000 1.170 583 L HN 0.710 nan 8.230 nan 0.000 0.442 584 P HA 0.314 nan 4.420 nan 0.000 0.276 584 P C -2.687 174.544 177.300 -0.115 0.000 1.252 584 P CA -1.925 61.087 63.100 -0.147 0.000 0.802 584 P CB -0.005 31.558 31.700 -0.229 0.000 1.035 585 P HA 0.195 nan 4.420 nan 0.000 0.230 585 P C 0.452 177.708 177.300 -0.074 0.000 1.791 585 P CA 0.208 63.266 63.100 -0.070 0.000 1.020 585 P CB -0.907 30.763 31.700 -0.051 0.000 1.977 586 I N -2.687 117.832 120.570 -0.085 0.000 4.526 586 I HA 0.090 4.260 4.170 -0.001 0.000 0.330 586 I C 1.376 177.453 176.117 -0.067 0.000 1.323 586 I CA -0.031 61.220 61.300 -0.081 0.000 1.218 586 I CB -0.304 37.632 38.000 -0.107 0.000 1.233 586 I HN -0.101 nan 8.210 nan 0.000 0.430 587 T N -1.098 113.418 114.554 -0.063 0.000 3.007 587 T HA 0.031 4.380 4.350 -0.001 0.000 0.270 587 T C 1.865 176.522 174.700 -0.071 0.000 1.107 587 T CA 1.073 63.143 62.100 -0.049 0.000 1.118 587 T CB -0.823 68.025 68.868 -0.033 0.000 0.889 587 T HN 0.463 nan 8.240 nan 0.000 0.506 588 G N 0.519 109.266 108.800 -0.089 0.000 2.559 588 G HA2 0.112 4.072 3.960 -0.001 0.000 0.216 588 G HA3 0.112 4.072 3.960 -0.001 0.000 0.216 588 G C 0.550 175.380 174.900 -0.117 0.000 1.126 588 G CA 0.357 45.380 45.100 -0.129 0.000 0.778 588 G HN 0.625 nan 8.290 nan 0.000 0.543 589 S N -0.392 115.262 115.700 -0.077 0.000 2.707 589 S HA 0.365 4.835 4.470 -0.001 0.000 0.312 589 S C 0.807 175.386 174.600 -0.035 0.000 1.116 589 S CA -0.822 57.343 58.200 -0.058 0.000 1.078 589 S CB 1.232 64.404 63.200 -0.046 0.000 0.997 589 S HN 0.039 nan 8.310 nan 0.000 0.477 590 L N 7.381 128.591 121.223 -0.023 0.000 2.017 590 L HA 0.214 4.553 4.340 -0.001 0.000 0.208 590 L C -1.176 175.695 176.870 0.002 0.000 1.073 590 L CA 1.979 56.820 54.840 0.001 0.000 0.745 590 L CB -1.089 40.982 42.059 0.021 0.000 0.894 590 L HN 0.469 nan 8.230 nan 0.000 0.432 591 P HA -0.148 nan 4.420 nan 0.000 0.215 591 P C 2.072 179.373 177.300 0.002 0.000 1.153 591 P CA 1.481 64.582 63.100 0.002 0.000 0.853 591 P CB -0.029 31.670 31.700 -0.001 0.000 0.788 592 V N -0.590 119.321 119.914 -0.006 0.000 2.307 592 V HA -0.236 3.884 4.120 -0.001 0.000 0.245 592 V C 2.327 178.423 176.094 0.002 0.000 1.045 592 V CA 2.525 64.822 62.300 -0.004 0.000 1.024 592 V CB -1.819 29.993 31.823 -0.018 0.000 0.651 592 V HN 0.184 nan 8.190 nan 0.000 0.449 593 T N -0.599 113.951 114.554 -0.006 0.000 2.665 593 T HA -0.336 4.013 4.350 -0.001 0.000 0.268 593 T C 1.913 176.629 174.700 0.027 0.000 1.035 593 T CA 2.139 64.239 62.100 0.001 0.000 1.151 593 T CB -0.267 68.599 68.868 -0.004 0.000 0.862 593 T HN 0.552 nan 8.240 nan 0.000 0.438 594 Q N 0.136 119.949 119.800 0.022 0.000 2.124 594 Q HA -0.063 4.276 4.340 -0.001 0.000 0.202 594 Q C 2.272 178.292 176.000 0.034 0.000 0.977 594 Q CA 1.242 57.060 55.803 0.025 0.000 0.850 594 Q CB -0.279 28.468 28.738 0.015 0.000 0.901 594 Q HN 0.551 nan 8.270 nan 0.000 0.429 595 I N 0.343 120.934 120.570 0.034 0.000 2.179 595 I HA -0.315 3.855 4.170 -0.001 0.000 0.242 595 I C 2.091 178.256 176.117 0.081 0.000 1.088 595 I CA 1.065 62.390 61.300 0.043 0.000 1.357 595 I CB -0.187 37.834 38.000 0.034 0.000 1.051 595 I HN 0.267 nan 8.210 nan 0.000 0.409 596 L N 0.018 121.306 121.223 0.109 0.000 2.217 596 L HA -0.132 4.208 4.340 -0.001 0.000 0.211 596 L C 2.414 179.455 176.870 0.285 0.000 1.107 596 L CA 1.663 56.634 54.840 0.218 0.000 0.783 596 L CB -0.701 41.465 42.059 0.178 0.000 0.919 596 L HN 0.440 nan 8.230 nan 0.000 0.442 597 T N -6.842 107.826 114.554 0.189 0.000 3.023 597 T HA 0.110 4.460 4.350 -0.001 0.000 0.253 597 T C 1.420 176.191 174.700 0.118 0.000 1.038 597 T CA 0.554 62.778 62.100 0.208 0.000 0.962 597 T CB 0.815 69.773 68.868 0.149 0.000 1.018 597 T HN 0.145 nan 8.240 nan 0.000 0.521 598 S N 1.035 116.770 115.700 0.059 0.000 4.198 598 S HA 0.121 4.591 4.470 -0.001 0.000 0.202 598 S C 1.887 176.473 174.600 -0.024 0.000 1.124 598 S CA 0.650 58.834 58.200 -0.028 0.000 1.050 598 S CB -0.247 62.935 63.200 -0.031 0.000 1.401 598 S HN 0.513 nan 8.310 nan 0.000 0.589 599 S N 1.431 117.130 115.700 -0.000 0.000 2.453 599 S HA 0.035 4.505 4.470 -0.001 0.000 0.231 599 S C 1.708 176.305 174.600 -0.006 0.000 1.005 599 S CA 1.044 59.239 58.200 -0.008 0.000 0.949 599 S CB -0.452 62.747 63.200 -0.002 0.000 0.774 599 S HN 0.424 nan 8.310 nan 0.000 0.510 600 V N 2.015 121.940 119.914 0.018 0.000 2.720 600 V HA -0.167 3.953 4.120 -0.001 0.000 0.256 600 V C 2.256 178.355 176.094 0.007 0.000 1.082 600 V CA 1.791 64.097 62.300 0.010 0.000 1.101 600 V CB -0.742 31.109 31.823 0.046 0.000 0.693 600 V HN 0.509 nan 8.190 nan 0.000 0.479 601 K N -0.202 120.212 120.400 0.023 0.000 2.113 601 K HA -0.206 4.113 4.320 -0.001 0.000 0.208 601 K C 1.651 178.249 176.600 -0.003 0.000 1.047 601 K CA 1.893 58.192 56.287 0.020 0.000 0.928 601 K CB -0.288 32.172 32.500 -0.067 0.000 0.716 601 K HN 0.524 nan 8.250 nan 0.000 0.446 602 D N 0.148 120.537 120.400 -0.019 0.000 2.347 602 D HA -0.017 4.623 4.640 -0.001 0.000 0.215 602 D C 1.672 177.958 176.300 -0.023 0.000 0.976 602 D CA 0.808 54.802 54.000 -0.010 0.000 0.884 602 D CB 0.156 40.953 40.800 -0.005 0.000 0.915 602 D HN 0.282 nan 8.370 nan 0.000 0.526 603 I N -0.008 120.503 120.570 -0.099 0.000 2.900 603 I HA -0.094 4.076 4.170 -0.001 0.000 0.251 603 I C 2.189 178.194 176.117 -0.187 0.000 1.102 603 I CA 1.097 62.210 61.300 -0.312 0.000 1.457 603 I CB 0.078 37.835 38.000 -0.405 0.000 1.285 603 I HN -0.037 nan 8.210 nan 0.000 0.459 604 T N -2.847 111.654 114.554 -0.089 0.000 2.985 604 T HA 0.350 4.700 4.350 -0.001 0.000 0.254 604 T C 1.540 176.248 174.700 0.013 0.000 1.021 604 T CA 0.589 62.674 62.100 -0.024 0.000 0.957 604 T CB 0.999 69.853 68.868 -0.024 0.000 1.047 604 T HN 0.504 nan 8.240 nan 0.000 0.511 605 G N 0.776 109.592 108.800 0.028 0.000 2.267 605 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.257 605 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.257 605 G C 0.559 175.528 174.900 0.114 0.000 0.998 605 G CA 0.033 45.169 45.100 0.060 0.000 0.620 605 G HN 1.081 nan 8.290 nan 0.000 0.529 606 G N -0.636 108.202 108.800 0.064 0.000 2.535 606 G HA2 0.851 4.810 3.960 -0.001 0.000 0.303 606 G HA3 0.851 4.810 3.960 -0.001 0.000 0.303 606 G C -0.549 174.430 174.900 0.130 0.000 1.237 606 G CA -0.160 44.941 45.100 0.000 0.000 0.986 606 G HN 1.658 nan 8.290 nan 0.000 0.494 607 Y N -3.228 116.978 120.300 -0.156 0.000 2.638 607 Y HA 0.572 5.122 4.550 -0.001 0.000 0.334 607 Y C -1.524 174.278 175.900 -0.164 0.000 1.182 607 Y CA -2.260 55.770 58.100 -0.117 0.000 1.102 607 Y CB 0.350 38.789 38.460 -0.034 0.000 1.343 607 Y HN 0.429 nan 8.280 nan 0.000 0.463 608 F N 2.802 122.798 119.950 0.077 0.000 2.429 608 F HA 0.538 5.065 4.527 -0.000 0.000 0.348 608 F C 0.304 176.167 175.800 0.104 0.000 1.109 608 F CA -0.341 57.666 58.000 0.012 0.000 1.232 608 F CB 0.869 39.872 39.000 0.005 0.000 1.157 608 F HN 0.414 nan 8.300 nan 0.000 0.564 609 I N 4.020 124.754 120.570 0.274 0.000 2.405 609 I HA 0.214 4.384 4.170 -0.001 0.000 0.280 609 I C -1.066 175.196 176.117 0.242 0.000 1.027 609 I CA -0.617 60.834 61.300 0.251 0.000 1.161 609 I CB 1.021 39.144 38.000 0.206 0.000 1.300 609 I HN 0.127 nan 8.210 nan 0.000 0.463 610 V N 5.418 125.431 119.914 0.165 0.000 2.389 610 V HA 0.329 4.449 4.120 -0.001 0.000 0.264 610 V C -0.064 176.102 176.094 0.120 0.000 1.049 610 V CA -0.131 62.218 62.300 0.082 0.000 0.932 610 V CB 0.925 32.753 31.823 0.008 0.000 1.011 610 V HN 0.647 nan 8.190 nan 0.000 0.475 611 E N 4.290 124.596 120.200 0.177 0.000 2.334 611 E HA 0.401 4.750 4.350 -0.001 0.000 0.280 611 E C -0.417 176.302 176.600 0.198 0.000 0.899 611 E CA -0.506 56.001 56.400 0.178 0.000 0.813 611 E CB 1.528 31.323 29.700 0.159 0.000 1.318 611 E HN 0.313 nan 8.360 nan 0.000 0.399 612 L N 2.454 123.730 121.223 0.088 0.000 2.418 612 L HA 0.247 4.586 4.340 -0.001 0.000 0.218 612 L C 0.452 177.350 176.870 0.047 0.000 1.125 612 L CA 0.689 55.563 54.840 0.056 0.000 0.835 612 L CB -0.156 41.916 42.059 0.022 0.000 0.953 612 L HN 0.546 nan 8.230 nan 0.000 0.454 613 D N 0.172 120.597 120.400 0.041 0.000 2.316 613 D HA 0.114 4.753 4.640 -0.001 0.000 0.245 613 D C -1.470 174.832 176.300 0.004 0.000 1.171 613 D CA -1.842 52.169 54.000 0.018 0.000 0.856 613 D CB 1.368 42.175 40.800 0.012 0.000 1.090 613 D HN -0.078 nan 8.370 nan 0.000 0.476 614 P HA -0.144 nan 4.420 nan 0.000 0.219 614 P C 0.753 178.028 177.300 -0.041 0.000 1.150 614 P CA 1.025 64.107 63.100 -0.030 0.000 0.814 614 P CB 0.369 32.050 31.700 -0.032 0.000 0.787 615 E N -0.330 119.858 120.200 -0.021 0.000 2.077 615 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 615 E C 2.028 178.614 176.600 -0.024 0.000 0.989 615 E CA 1.717 58.108 56.400 -0.015 0.000 0.800 615 E CB -0.680 29.018 29.700 -0.003 0.000 0.746 615 E HN 0.256 nan 8.360 nan 0.000 0.452 616 T N 0.878 115.418 114.554 -0.024 0.000 2.777 616 T HA -0.133 4.216 4.350 -0.001 0.000 0.266 616 T C 2.016 176.679 174.700 -0.062 0.000 1.040 616 T CA 1.113 63.198 62.100 -0.025 0.000 1.141 616 T CB -0.237 68.627 68.868 -0.007 0.000 0.868 616 T HN 0.249 nan 8.240 nan 0.000 0.444 617 A N 1.621 124.371 122.820 -0.117 0.000 1.908 617 A HA 0.092 4.412 4.320 -0.001 0.000 0.218 617 A C 2.664 180.097 177.584 -0.251 0.000 1.181 617 A CA 1.916 53.774 52.037 -0.298 0.000 0.627 617 A CB -1.163 17.470 19.000 -0.612 0.000 0.818 617 A HN 0.513 nan 8.150 nan 0.000 0.445 618 A N 0.019 122.754 122.820 -0.142 0.000 1.877 618 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 618 A C 1.785 179.341 177.584 -0.047 0.000 1.186 618 A CA 1.962 53.959 52.037 -0.068 0.000 0.620 618 A CB -0.641 18.352 19.000 -0.012 0.000 0.822 618 A HN 0.464 nan 8.150 nan 0.000 0.443 619 D N -0.258 120.121 120.400 -0.035 0.000 2.117 619 D HA -0.115 4.525 4.640 -0.001 0.000 0.197 619 D C 1.935 178.222 176.300 -0.021 0.000 0.987 619 D CA 1.376 55.368 54.000 -0.013 0.000 0.829 619 D CB -0.247 40.552 40.800 -0.002 0.000 0.961 619 D HN 0.512 nan 8.370 nan 0.000 0.460 620 K N 0.036 120.413 120.400 -0.038 0.000 2.097 620 K HA -0.004 4.315 4.320 -0.001 0.000 0.205 620 K C 2.285 178.867 176.600 -0.031 0.000 1.050 620 K CA 0.429 56.703 56.287 -0.022 0.000 0.938 620 K CB -0.028 32.466 32.500 -0.011 0.000 0.718 620 K HN 0.133 nan 8.250 nan 0.000 0.442 621 L N 0.783 121.964 121.223 -0.071 0.000 2.056 621 L HA -0.156 4.184 4.340 -0.001 0.000 0.207 621 L C 2.247 179.081 176.870 -0.059 0.000 1.078 621 L CA 0.915 55.707 54.840 -0.080 0.000 0.749 621 L CB -0.312 41.676 42.059 -0.118 0.000 0.901 621 L HN 0.144 nan 8.230 nan 0.000 0.433 622 L N -0.511 120.688 121.223 -0.040 0.000 2.046 622 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 622 L C 2.858 179.703 176.870 -0.041 0.000 1.077 622 L CA 1.210 56.038 54.840 -0.020 0.000 0.747 622 L CB -0.707 41.359 42.059 0.012 0.000 0.896 622 L HN 0.245 nan 8.230 nan 0.000 0.432 623 A N -0.057 122.735 122.820 -0.046 0.000 1.902 623 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 623 A C 2.532 180.050 177.584 -0.109 0.000 1.181 623 A CA 1.776 53.759 52.037 -0.089 0.000 0.623 623 A CB -0.740 18.228 19.000 -0.053 0.000 0.818 623 A HN 0.408 nan 8.150 nan 0.000 0.443 624 A N -0.074 122.720 122.820 -0.043 0.000 1.877 624 A HA -0.098 4.222 4.320 -0.001 0.000 0.216 624 A C 2.136 179.682 177.584 -0.063 0.000 1.186 624 A CA 1.564 53.597 52.037 -0.006 0.000 0.620 624 A CB -0.617 18.393 19.000 0.016 0.000 0.822 624 A HN 0.498 nan 8.150 nan 0.000 0.443 625 I N 0.078 120.602 120.570 -0.077 0.000 2.179 625 I HA -0.270 3.900 4.170 -0.001 0.000 0.242 625 I C 2.075 178.125 176.117 -0.112 0.000 1.088 625 I CA 1.293 62.548 61.300 -0.075 0.000 1.357 625 I CB -0.425 37.545 38.000 -0.050 0.000 1.051 625 I HN 0.308 nan 8.210 nan 0.000 0.409 626 N N 0.698 119.292 118.700 -0.177 0.000 2.188 626 N HA -0.163 4.576 4.740 -0.001 0.000 0.184 626 N C 1.711 176.873 175.510 -0.581 0.000 1.018 626 N CA 1.137 53.971 53.050 -0.361 0.000 0.858 626 N CB -0.239 37.977 38.487 -0.453 0.000 0.989 626 N HN 0.434 nan 8.380 nan 0.000 0.426 627 E N 0.468 120.412 120.200 -0.428 0.000 2.077 627 E HA -0.085 4.264 4.350 -0.001 0.000 0.193 627 E C 1.979 178.461 176.600 -0.196 0.000 0.989 627 E CA 0.775 56.979 56.400 -0.326 0.000 0.800 627 E CB 0.114 29.699 29.700 -0.192 0.000 0.746 627 E HN 0.200 nan 8.360 nan 0.000 0.452 628 R N 0.669 121.091 120.500 -0.129 0.000 2.081 628 R HA -0.056 4.283 4.340 -0.001 0.000 0.235 628 R C 2.256 178.521 176.300 -0.058 0.000 1.131 628 R CA 1.060 57.119 56.100 -0.068 0.000 0.960 628 R CB -0.477 29.797 30.300 -0.043 0.000 0.856 628 R HN 0.206 nan 8.270 nan 0.000 0.436 629 R N 0.391 120.847 120.500 -0.073 0.000 2.083 629 R HA -0.094 4.246 4.340 -0.001 0.000 0.237 629 R C 2.336 178.653 176.300 0.029 0.000 1.137 629 R CA 1.631 57.732 56.100 0.001 0.000 0.951 629 R CB -0.515 29.823 30.300 0.063 0.000 0.851 629 R HN 0.208 nan 8.270 nan 0.000 0.434 630 A N 0.771 123.555 122.820 -0.060 0.000 1.933 630 A HA -0.096 4.224 4.320 -0.001 0.000 0.218 630 A C 2.401 180.003 177.584 0.030 0.000 1.175 630 A CA 1.761 53.820 52.037 0.037 0.000 0.628 630 A CB -1.101 17.854 19.000 -0.075 0.000 0.814 630 A HN 0.496 nan 8.150 nan 0.000 0.444 631 G N -0.473 108.317 108.800 -0.017 0.000 2.448 631 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.219 631 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.219 631 G C 1.294 176.203 174.900 0.014 0.000 1.127 631 G CA 0.905 46.004 45.100 -0.003 0.000 0.766 631 G HN 0.461 nan 8.290 nan 0.000 0.552 632 L N 0.357 121.593 121.223 0.021 0.000 2.612 632 L HA 0.265 4.605 4.340 -0.001 0.000 0.230 632 L C 1.899 178.795 176.870 0.042 0.000 1.140 632 L CA 0.311 55.168 54.840 0.028 0.000 0.896 632 L CB -0.022 42.053 42.059 0.026 0.000 1.065 632 L HN 0.334 nan 8.230 nan 0.000 0.447 633 G N 0.764 109.599 108.800 0.058 0.000 2.160 633 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.251 633 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.251 633 G C 0.078 175.029 174.900 0.084 0.000 1.008 633 G CA -0.032 45.109 45.100 0.069 0.000 0.724 633 G HN 0.256 nan 8.290 nan 0.000 0.514 634 L N 0.271 121.561 121.223 0.110 0.000 2.343 634 L HA 0.500 4.840 4.340 -0.001 0.000 0.275 634 L C -1.653 175.333 176.870 0.192 0.000 1.056 634 L CA -2.403 52.509 54.840 0.120 0.000 0.804 634 L CB 1.204 43.326 42.059 0.105 0.000 1.203 634 L HN -0.116 nan 8.230 nan 0.000 0.440 635 P HA 0.059 nan 4.420 nan 0.000 0.269 635 P C -1.179 176.230 177.300 0.182 0.000 1.215 635 P CA -0.126 63.012 63.100 0.064 0.000 0.780 635 P CB 0.437 32.130 31.700 -0.011 0.000 0.898 636 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 0.005 0.000 1.226 636 W CB 0.000 29.464 29.460 0.006 0.000 1.126 636 W HN 0.000 nan 8.180 nan 0.000 0.535