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 1gho_1_M DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ K 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.142 176.117 0.041 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.016 38.000 0.026 0.000 1.214 4 T N -2.317 112.268 114.554 0.052 0.000 3.081 4 T HA 0.218 4.568 4.350 -0.000 0.000 0.250 4 T C 0.923 175.654 174.700 0.052 0.000 1.100 4 T CA 0.966 63.082 62.100 0.026 0.000 1.038 4 T CB -0.376 68.506 68.868 0.023 0.000 0.962 4 T HN 0.248 nan 8.240 nan 0.000 0.516 5 D N 2.372 122.862 120.400 0.149 0.000 2.340 5 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 5 D C 0.959 177.471 176.300 0.353 0.000 1.039 5 D CA 0.157 54.351 54.000 0.323 0.000 0.866 5 D CB 0.057 41.066 40.800 0.349 0.000 0.913 5 D HN 0.567 nan 8.370 nan 0.000 0.523 6 S N 0.068 115.860 115.700 0.154 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.336 175.989 174.600 0.088 0.000 1.315 6 S CA -0.680 57.569 58.200 0.082 0.000 1.050 6 S CB 1.271 64.487 63.200 0.026 0.000 0.918 6 S HN -0.115 nan 8.310 nan 0.000 0.497 7 L N 3.577 124.829 121.223 0.049 0.000 2.051 7 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 7 L C 2.899 179.788 176.870 0.032 0.000 1.076 7 L CA 2.505 57.379 54.840 0.057 0.000 0.758 7 L CB -1.543 40.502 42.059 -0.024 0.000 0.890 7 L HN 0.989 nan 8.230 nan 0.000 0.433 8 A N -1.824 121.001 122.820 0.008 0.000 2.015 8 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 8 A C 2.393 179.972 177.584 -0.009 0.000 1.163 8 A CA 1.744 53.782 52.037 0.003 0.000 0.646 8 A CB -0.574 18.424 19.000 -0.004 0.000 0.806 8 A HN 0.233 nan 8.150 nan 0.000 0.448 9 V N -1.022 118.878 119.914 -0.023 0.000 2.341 9 V HA -0.129 3.991 4.120 -0.000 0.000 0.240 9 V C 2.541 178.562 176.094 -0.122 0.000 1.035 9 V CA 1.514 63.777 62.300 -0.061 0.000 1.033 9 V CB -0.377 31.413 31.823 -0.054 0.000 0.678 9 V HN 0.320 nan 8.190 nan 0.000 0.464 10 V N 0.754 120.567 119.914 -0.168 0.000 2.231 10 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 10 V C 2.163 178.136 176.094 -0.203 0.000 1.058 10 V CA 2.245 64.331 62.300 -0.357 0.000 1.022 10 V CB -0.695 30.869 31.823 -0.431 0.000 0.640 10 V HN 0.482 nan 8.190 nan 0.000 0.445 11 L N 0.281 121.494 121.223 -0.016 0.000 2.622 11 L HA -0.105 4.235 4.340 -0.000 0.000 0.233 11 L C 2.337 179.280 176.870 0.121 0.000 1.156 11 L CA 0.800 55.763 54.840 0.206 0.000 0.866 11 L CB -0.710 41.516 42.059 0.279 0.000 0.980 11 L HN 0.443 nan 8.230 nan 0.000 0.448 12 Q N 0.712 120.509 119.800 -0.005 0.000 2.137 12 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 12 Q C 2.306 178.248 176.000 -0.098 0.000 0.960 12 Q CA 1.182 56.963 55.803 -0.037 0.000 0.847 12 Q CB 0.020 28.729 28.738 -0.050 0.000 0.915 12 Q HN 0.191 nan 8.270 nan 0.000 0.448 13 R N 0.513 120.935 120.500 -0.129 0.000 2.096 13 R HA 0.009 4.349 4.340 -0.000 0.000 0.235 13 R C 0.286 176.417 176.300 -0.282 0.000 1.127 13 R CA 1.136 57.132 56.100 -0.175 0.000 0.968 13 R CB -0.232 29.964 30.300 -0.174 0.000 0.861 13 R HN 0.352 nan 8.270 nan 0.000 0.440 14 R N 0.784 121.032 120.500 -0.420 0.000 3.261 14 R HA -0.122 4.218 4.340 -0.000 0.000 0.257 14 R C -0.138 175.697 176.300 -0.776 0.000 1.014 14 R CA 0.411 55.876 56.100 -1.057 0.000 0.681 14 R CB -1.231 28.582 30.300 -0.812 0.000 1.155 14 R HN 0.322 nan 8.270 nan 0.000 0.424 15 D N -0.317 119.820 120.400 -0.438 0.000 2.221 15 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 15 D C 1.587 177.849 176.300 -0.063 0.000 0.982 15 D CA 1.761 55.571 54.000 -0.317 0.000 0.857 15 D CB -0.138 40.263 40.800 -0.665 0.000 0.934 15 D HN 0.726 nan 8.370 nan 0.000 0.475 16 W N 1.609 122.944 121.300 0.058 0.000 3.292 16 W HA 0.159 4.819 4.660 -0.000 0.000 0.263 16 W C 0.251 176.875 176.519 0.174 0.000 1.318 16 W CA -0.216 57.257 57.345 0.213 0.000 1.663 16 W CB -0.262 29.356 29.460 0.263 0.000 1.114 16 W HN -0.164 nan 8.180 nan 0.000 0.706 17 E N 1.028 121.058 120.200 -0.284 0.000 3.306 17 E HA 0.085 4.435 4.350 -0.000 0.000 0.197 17 E C -0.836 175.644 176.600 -0.200 0.000 0.980 17 E CA -0.285 56.014 56.400 -0.169 0.000 1.259 17 E CB -0.173 29.471 29.700 -0.093 0.000 1.112 17 E HN 0.078 nan 8.360 nan 0.000 0.458 18 N N 1.241 119.849 118.700 -0.153 0.000 2.572 18 N HA 0.140 4.880 4.740 -0.000 0.000 0.287 18 N C -2.373 173.016 175.510 -0.202 0.000 1.136 18 N CA -1.932 50.995 53.050 -0.206 0.000 0.900 18 N CB 1.627 40.001 38.487 -0.189 0.000 1.484 18 N HN -0.228 nan 8.380 nan 0.000 0.526 19 P HA 0.074 nan 4.420 nan 0.000 0.230 19 P C 1.074 178.144 177.300 -0.383 0.000 1.158 19 P CA 0.660 63.438 63.100 -0.537 0.000 0.769 19 P CB 0.170 31.094 31.700 -1.293 0.000 0.807 20 G N -0.343 108.277 108.800 -0.302 0.000 2.572 20 G HA2 0.035 3.995 3.960 -0.000 0.000 0.216 20 G HA3 0.035 3.995 3.960 -0.000 0.000 0.216 20 G C 0.323 175.152 174.900 -0.117 0.000 1.133 20 G CA 0.213 45.190 45.100 -0.206 0.000 0.791 20 G HN 0.211 nan 8.290 nan 0.000 0.538 21 V N 1.444 121.311 119.914 -0.080 0.000 2.326 21 V HA 0.354 4.474 4.120 -0.000 0.000 0.281 21 V C 0.851 177.006 176.094 0.102 0.000 1.015 21 V CA 0.154 62.461 62.300 0.012 0.000 0.823 21 V CB 1.214 33.042 31.823 0.007 0.000 1.009 21 V HN 0.304 nan 8.190 nan 0.000 0.436 22 T N 0.742 115.341 114.554 0.074 0.000 2.985 22 T HA 0.353 4.703 4.350 -0.000 0.000 0.254 22 T C 0.275 174.987 174.700 0.020 0.000 1.021 22 T CA 0.218 62.351 62.100 0.055 0.000 0.957 22 T CB 0.385 69.247 68.868 -0.009 0.000 1.047 22 T HN 0.691 nan 8.240 nan 0.000 0.511 23 Q N 0.339 120.199 119.800 0.099 0.000 2.756 23 Q HA 0.712 5.052 4.340 -0.000 0.000 0.295 23 Q C -2.192 173.928 176.000 0.200 0.000 0.903 23 Q CA -1.097 54.751 55.803 0.074 0.000 0.768 23 Q CB 1.076 29.784 28.738 -0.049 0.000 1.472 23 Q HN 0.230 nan 8.270 nan 0.000 0.416 24 L N 1.702 123.069 121.223 0.240 0.000 2.580 24 L HA 0.559 4.899 4.340 -0.000 0.000 0.266 24 L C -0.791 176.225 176.870 0.243 0.000 0.955 24 L CA -0.806 54.196 54.840 0.271 0.000 0.886 24 L CB 1.886 44.206 42.059 0.435 0.000 1.263 24 L HN 0.867 nan 8.230 nan 0.000 0.406 25 N N 0.575 119.377 118.700 0.171 0.000 2.800 25 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 25 N C 0.221 175.808 175.510 0.129 0.000 1.078 25 N CA 0.730 53.880 53.050 0.167 0.000 0.804 25 N CB -0.744 37.828 38.487 0.142 0.000 1.135 25 N HN 0.691 nan 8.380 nan 0.000 0.565 26 R N 1.211 121.659 120.500 -0.087 0.000 2.340 26 R HA 0.401 4.741 4.340 -0.000 0.000 0.300 26 R C 0.700 176.854 176.300 -0.243 0.000 1.069 26 R CA -0.327 55.492 56.100 -0.469 0.000 0.984 26 R CB 0.557 30.578 30.300 -0.466 0.000 1.003 26 R HN 0.123 nan 8.270 nan 0.000 0.459 27 L N 2.752 123.825 121.223 -0.251 0.000 2.479 27 L HA 0.327 4.667 4.340 -0.000 0.000 0.248 27 L C 0.756 177.589 176.870 -0.061 0.000 1.205 27 L CA -0.629 54.160 54.840 -0.085 0.000 0.817 27 L CB 0.461 42.509 42.059 -0.019 0.000 1.162 27 L HN 0.738 nan 8.230 nan 0.000 0.486 28 A N 0.489 123.316 122.820 0.012 0.000 2.366 28 A HA 0.553 4.873 4.320 -0.000 0.000 0.249 28 A C 0.158 177.786 177.584 0.074 0.000 1.084 28 A CA -0.023 52.034 52.037 0.033 0.000 0.794 28 A CB 0.282 19.321 19.000 0.065 0.000 1.034 28 A HN 0.766 nan 8.150 nan 0.000 0.491 29 A N 0.733 123.547 122.820 -0.011 0.000 2.304 29 A HA 0.724 5.044 4.320 -0.000 0.000 0.271 29 A C 0.029 177.554 177.584 -0.098 0.000 1.091 29 A CA 0.362 52.319 52.037 -0.134 0.000 0.812 29 A CB 0.001 18.906 19.000 -0.159 0.000 1.056 29 A HN 1.791 nan 8.150 nan 0.000 0.489 30 H N -2.527 116.443 119.070 -0.167 0.000 2.904 30 H HA 0.597 5.153 4.556 -0.000 0.000 0.290 30 H C -3.352 171.749 175.328 -0.379 0.000 1.437 30 H CA -1.736 54.172 56.048 -0.234 0.000 1.147 30 H CB 0.016 29.605 29.762 -0.288 0.000 1.824 30 H HN 0.403 nan 8.280 nan 0.000 0.505 31 P HA 0.207 nan 4.420 nan 0.000 0.274 31 P C -2.592 174.459 177.300 -0.416 0.000 1.260 31 P CA -1.487 61.397 63.100 -0.360 0.000 0.793 31 P CB -0.375 31.087 31.700 -0.397 0.000 1.048 32 P HA 0.143 nan 4.420 nan 0.000 0.271 32 P C -0.846 176.517 177.300 0.104 0.000 1.226 32 P CA 0.774 63.822 63.100 -0.087 0.000 0.765 32 P CB -0.125 31.595 31.700 0.034 0.000 0.835 33 F N 1.388 121.460 119.950 0.203 0.000 2.492 33 F HA 0.584 5.111 4.527 -0.000 0.000 0.327 33 F C 1.138 176.889 175.800 -0.081 0.000 1.079 33 F CA -0.950 57.101 58.000 0.084 0.000 0.967 33 F CB 2.028 41.033 39.000 0.007 0.000 1.169 33 F HN 0.235 nan 8.300 nan 0.000 0.472 34 A N 0.565 123.352 122.820 -0.054 0.000 2.340 34 A HA 0.253 4.573 4.320 -0.000 0.000 0.213 34 A C 0.820 178.124 177.584 -0.467 0.000 1.299 34 A CA 0.487 52.233 52.037 -0.485 0.000 0.994 34 A CB -0.035 18.126 19.000 -1.400 0.000 1.132 34 A HN 0.772 nan 8.150 nan 0.000 0.519 35 S N -0.207 115.321 115.700 -0.287 0.000 3.783 35 S HA -0.131 4.339 4.470 -0.000 0.000 0.360 35 S C -0.058 174.460 174.600 -0.137 0.000 1.006 35 S CA 0.329 58.406 58.200 -0.206 0.000 1.115 35 S CB -1.708 61.356 63.200 -0.227 0.000 0.893 35 S HN 0.493 nan 8.310 nan 0.000 0.475 36 W N 1.367 122.660 121.300 -0.011 0.000 2.148 36 W HA 0.162 4.822 4.660 -0.000 0.000 0.347 36 W C 1.546 178.058 176.519 -0.012 0.000 1.288 36 W CA -0.197 57.149 57.345 0.002 0.000 1.252 36 W CB 0.169 29.629 29.460 0.001 0.000 1.156 36 W HN 0.374 nan 8.180 nan 0.000 0.580 37 R N 1.533 122.196 120.500 0.271 0.000 2.508 37 R HA 0.093 4.433 4.340 -0.000 0.000 0.300 37 R C 0.089 176.469 176.300 0.133 0.000 0.970 37 R CA -0.062 56.131 56.100 0.155 0.000 1.102 37 R CB 0.383 30.742 30.300 0.099 0.000 1.246 37 R HN 0.422 nan 8.270 nan 0.000 0.539 38 N N 0.511 119.307 118.700 0.160 0.000 2.425 38 N HA -0.022 4.718 4.740 -0.000 0.000 0.289 38 N C 0.379 175.881 175.510 -0.014 0.000 1.074 38 N CA 0.101 53.191 53.050 0.067 0.000 0.905 38 N CB 2.191 40.711 38.487 0.055 0.000 1.586 38 N HN -0.103 nan 8.380 nan 0.000 0.490 39 S N 2.763 118.434 115.700 -0.049 0.000 2.365 39 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 39 S C 1.178 175.637 174.600 -0.235 0.000 1.039 39 S CA 1.269 59.398 58.200 -0.117 0.000 1.033 39 S CB -0.209 62.957 63.200 -0.058 0.000 0.887 39 S HN 0.670 nan 8.310 nan 0.000 0.447 40 E N 0.935 121.018 120.200 -0.196 0.000 2.110 40 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 40 E C 2.207 178.625 176.600 -0.304 0.000 0.988 40 E CA 1.160 57.407 56.400 -0.256 0.000 0.804 40 E CB -0.336 29.256 29.700 -0.180 0.000 0.745 40 E HN 0.753 nan 8.360 nan 0.000 0.458 41 E N 0.617 120.660 120.200 -0.262 0.000 2.051 41 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 41 E C 2.081 178.195 176.600 -0.810 0.000 0.991 41 E CA 0.980 57.211 56.400 -0.281 0.000 0.799 41 E CB -0.082 29.620 29.700 0.003 0.000 0.748 41 E HN 0.178 nan 8.360 nan 0.000 0.449 42 A N 1.579 123.627 122.820 -1.288 0.000 1.902 42 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 42 A C 2.104 179.067 177.584 -1.035 0.000 1.181 42 A CA 1.634 52.445 52.037 -2.042 0.000 0.623 42 A CB -0.505 17.811 19.000 -1.140 0.000 0.818 42 A HN 0.113 nan 8.150 nan 0.000 0.443 43 R N -0.073 120.033 120.500 -0.656 0.000 2.152 43 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 43 R C 1.444 177.497 176.300 -0.412 0.000 1.117 43 R CA 1.939 57.727 56.100 -0.520 0.000 0.981 43 R CB -0.355 29.562 30.300 -0.638 0.000 0.870 43 R HN 0.585 nan 8.270 nan 0.000 0.451 44 T N -2.847 111.486 114.554 -0.368 0.000 3.105 44 T HA 0.111 4.461 4.350 -0.000 0.000 0.253 44 T C 0.045 174.667 174.700 -0.132 0.000 1.047 44 T CA 0.152 62.120 62.100 -0.220 0.000 0.944 44 T CB 0.247 69.010 68.868 -0.175 0.000 1.016 44 T HN 0.255 nan 8.240 nan 0.000 0.544 45 D N 1.334 121.623 120.400 -0.185 0.000 2.800 45 D HA -0.151 4.489 4.640 -0.000 0.000 0.232 45 D C 0.051 176.456 176.300 0.176 0.000 1.137 45 D CA 0.386 54.408 54.000 0.037 0.000 0.718 45 D CB -0.857 40.001 40.800 0.096 0.000 1.084 45 D HN 0.553 nan 8.370 nan 0.000 0.432 46 R N -0.113 120.486 120.500 0.164 0.000 2.652 46 R HA 0.492 4.832 4.340 -0.000 0.000 0.271 46 R C -2.123 174.440 176.300 0.438 0.000 1.129 46 R CA -1.195 55.054 56.100 0.248 0.000 1.200 46 R CB -0.001 30.391 30.300 0.153 0.000 1.146 46 R HN 0.102 nan 8.270 nan 0.000 0.581 47 P HA 0.043 nan 4.420 nan 0.000 0.279 47 P C -0.650 176.763 177.300 0.188 0.000 1.239 47 P CA -0.136 63.089 63.100 0.208 0.000 0.789 47 P CB 1.145 32.924 31.700 0.132 0.000 0.933 48 S N 1.793 117.485 115.700 -0.014 0.000 2.525 48 S HA 0.166 4.636 4.470 -0.000 0.000 0.290 48 S C 0.936 175.521 174.600 -0.024 0.000 1.152 48 S CA -0.538 57.578 58.200 -0.139 0.000 1.072 48 S CB 0.884 63.645 63.200 -0.732 0.000 1.027 48 S HN 0.373 nan 8.310 nan 0.000 0.500 49 Q N 1.720 121.551 119.800 0.052 0.000 2.472 49 Q HA -0.009 4.331 4.340 -0.000 0.000 0.208 49 Q C 0.788 176.926 176.000 0.230 0.000 0.958 49 Q CA 0.351 56.234 55.803 0.135 0.000 0.932 49 Q CB -0.145 28.684 28.738 0.151 0.000 1.007 49 Q HN 0.782 nan 8.270 nan 0.000 0.508 50 Q N 0.494 120.357 119.800 0.104 0.000 2.365 50 Q HA 0.148 4.488 4.340 -0.000 0.000 0.203 50 Q C 0.010 176.052 176.000 0.070 0.000 0.929 50 Q CA 0.134 55.981 55.803 0.073 0.000 0.948 50 Q CB 0.102 28.778 28.738 -0.102 0.000 1.043 50 Q HN 0.160 nan 8.270 nan 0.000 0.505 51 L N 1.171 122.460 121.223 0.111 0.000 2.343 51 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 51 L C -1.158 175.800 176.870 0.147 0.000 0.996 51 L CA -0.373 54.523 54.840 0.092 0.000 0.831 51 L CB 1.470 43.506 42.059 -0.038 0.000 1.232 51 L HN -0.101 nan 8.230 nan 0.000 0.413 52 R N 2.781 123.394 120.500 0.187 0.000 2.561 52 R HA 0.457 4.797 4.340 -0.000 0.000 0.297 52 R C -0.909 175.431 176.300 0.066 0.000 0.969 52 R CA -0.592 55.586 56.100 0.130 0.000 0.879 52 R CB 2.264 32.658 30.300 0.157 0.000 1.178 52 R HN 0.691 nan 8.270 nan 0.000 0.445 53 S N 2.690 118.417 115.700 0.046 0.000 2.565 53 S HA 0.276 4.746 4.470 -0.000 0.000 0.274 53 S C 0.971 175.590 174.600 0.033 0.000 1.309 53 S CA -0.430 57.791 58.200 0.034 0.000 1.043 53 S CB 0.510 63.737 63.200 0.046 0.000 0.939 53 S HN 0.540 nan 8.310 nan 0.000 0.504 54 L N 3.455 124.707 121.223 0.048 0.000 2.857 54 L HA 0.285 4.625 4.340 -0.000 0.000 0.249 54 L C -0.019 177.059 176.870 0.347 0.000 1.172 54 L CA -0.255 54.648 54.840 0.106 0.000 0.980 54 L CB -0.331 41.761 42.059 0.055 0.000 1.299 54 L HN 0.497 nan 8.230 nan 0.000 0.535 55 N N 1.381 120.208 118.700 0.212 0.000 2.530 55 N HA 0.513 5.253 4.740 -0.000 0.000 0.273 55 N C 0.634 176.294 175.510 0.251 0.000 1.173 55 N CA 0.769 53.948 53.050 0.215 0.000 0.967 55 N CB 1.690 40.228 38.487 0.085 0.000 1.109 55 N HN 0.304 nan 8.380 nan 0.000 0.453 56 G N 0.770 109.755 108.800 0.307 0.000 2.366 56 G HA2 -0.061 3.900 3.960 -0.000 0.000 0.190 56 G HA3 -0.061 3.900 3.960 -0.000 0.000 0.190 56 G C -1.349 173.791 174.900 0.399 0.000 1.299 56 G CA -0.749 44.511 45.100 0.267 0.000 1.056 56 G HN 0.467 nan 8.290 nan 0.000 0.468 57 E N -0.307 120.086 120.200 0.322 0.000 2.313 57 E HA 0.529 4.879 4.350 -0.000 0.000 0.276 57 E C -1.131 175.739 176.600 0.449 0.000 1.031 57 E CA -0.126 56.471 56.400 0.328 0.000 0.857 57 E CB 0.810 30.616 29.700 0.177 0.000 1.040 57 E HN 0.383 nan 8.360 nan 0.000 0.408 58 W N 1.652 123.040 121.300 0.147 0.000 3.047 58 W HA 0.402 5.062 4.660 -0.000 0.000 0.341 58 W C -0.530 176.106 176.519 0.196 0.000 1.225 58 W CA -0.740 56.722 57.345 0.195 0.000 1.150 58 W CB 0.878 30.510 29.460 0.286 0.000 1.470 58 W HN 0.265 nan 8.180 nan 0.000 0.578 59 R N 1.602 122.365 120.500 0.437 0.000 2.474 59 R HA 0.656 4.996 4.340 -0.000 0.000 0.295 59 R C -1.402 175.100 176.300 0.338 0.000 0.980 59 R CA -0.784 55.507 56.100 0.318 0.000 0.934 59 R CB 1.580 32.013 30.300 0.221 0.000 1.101 59 R HN 0.450 nan 8.270 nan 0.000 0.469 60 F N 0.522 120.492 119.950 0.033 0.000 2.578 60 F HA 0.664 5.191 4.527 -0.000 0.000 0.311 60 F C -1.480 174.180 175.800 -0.233 0.000 1.094 60 F CA -0.624 57.257 58.000 -0.199 0.000 0.923 60 F CB 2.082 40.852 39.000 -0.383 0.000 1.230 60 F HN 0.680 nan 8.300 nan 0.000 0.450 61 A N 4.227 126.166 122.820 -1.469 0.000 2.549 61 A HA 0.601 4.921 4.320 -0.000 0.000 0.297 61 A C -2.493 174.216 177.584 -1.458 0.000 1.061 61 A CA -0.561 50.801 52.037 -1.125 0.000 0.690 61 A CB 0.779 19.477 19.000 -0.503 0.000 1.287 61 A HN 0.970 nan 8.150 nan 0.000 0.402 62 W N 1.813 122.333 121.300 -1.299 0.000 2.689 62 W HA 0.793 5.453 4.660 -0.000 0.000 0.340 62 W C -1.968 173.956 176.519 -0.992 0.000 1.060 62 W CA -0.441 56.303 57.345 -1.001 0.000 1.218 62 W CB 1.449 30.506 29.460 -0.672 0.000 1.410 62 W HN 0.519 nan 8.180 nan 0.000 0.528 63 F N 4.804 124.118 119.950 -1.059 0.000 2.631 63 F HA 0.349 4.876 4.527 -0.000 0.000 0.308 63 F C -1.532 173.456 175.800 -1.353 0.000 1.097 63 F CA -2.388 55.118 58.000 -0.824 0.000 0.952 63 F CB 1.396 40.076 39.000 -0.535 0.000 1.307 63 F HN 0.142 nan 8.300 nan 0.000 0.450 64 P HA 0.078 nan 4.420 nan 0.000 0.226 64 P C -0.241 176.964 177.300 -0.158 0.000 1.153 64 P CA 1.039 63.958 63.100 -0.301 0.000 0.777 64 P CB 0.578 32.318 31.700 0.066 0.000 0.794 65 A N -1.052 121.681 122.820 -0.145 0.000 2.605 65 A HA 0.521 4.841 4.320 -0.000 0.000 0.294 65 A C -2.379 175.108 177.584 -0.162 0.000 1.062 65 A CA -1.088 50.892 52.037 -0.093 0.000 0.682 65 A CB 0.611 19.615 19.000 0.007 0.000 1.278 65 A HN -0.290 nan 8.150 nan 0.000 0.410 66 P HA -0.142 nan 4.420 nan 0.000 0.216 66 P C 0.846 178.035 177.300 -0.185 0.000 1.150 66 P CA 1.647 64.602 63.100 -0.243 0.000 0.837 66 P CB 0.203 31.732 31.700 -0.284 0.000 0.786 67 E N 0.291 120.448 120.200 -0.072 0.000 2.171 67 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 67 E C 2.101 178.653 176.600 -0.080 0.000 0.997 67 E CA 1.540 57.919 56.400 -0.035 0.000 0.810 67 E CB -0.894 28.823 29.700 0.029 0.000 0.738 67 E HN 0.228 nan 8.360 nan 0.000 0.467 68 A N 0.728 123.487 122.820 -0.102 0.000 2.206 68 A HA 0.032 4.352 4.320 -0.000 0.000 0.211 68 A C 0.845 178.251 177.584 -0.297 0.000 1.158 68 A CA 0.070 52.064 52.037 -0.072 0.000 0.761 68 A CB -0.011 19.039 19.000 0.083 0.000 0.801 68 A HN 0.043 nan 8.150 nan 0.000 0.473 69 V N 2.530 122.108 119.914 -0.559 0.000 2.572 69 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 69 V C -2.132 173.747 176.094 -0.358 0.000 1.039 69 V CA -1.308 60.487 62.300 -0.842 0.000 1.055 69 V CB 0.756 32.009 31.823 -0.951 0.000 0.969 69 V HN 0.338 nan 8.190 nan 0.000 0.482 70 P HA 0.330 nan 4.420 nan 0.000 0.294 70 P C 0.440 177.717 177.300 -0.038 0.000 1.294 70 P CA -0.520 62.529 63.100 -0.085 0.000 0.827 70 P CB 1.644 33.340 31.700 -0.006 0.000 0.992 71 E N 1.714 121.887 120.200 -0.045 0.000 2.169 71 E HA -0.233 4.117 4.350 -0.000 0.000 0.202 71 E C 1.670 178.233 176.600 -0.062 0.000 1.016 71 E CA 2.421 58.786 56.400 -0.058 0.000 0.817 71 E CB -0.292 29.375 29.700 -0.055 0.000 0.736 71 E HN 0.438 nan 8.360 nan 0.000 0.462 72 S N -0.202 115.486 115.700 -0.021 0.000 2.383 72 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 72 S C 1.412 175.989 174.600 -0.038 0.000 1.030 72 S CA 1.124 59.311 58.200 -0.021 0.000 1.002 72 S CB -0.740 62.472 63.200 0.020 0.000 0.829 72 S HN 0.548 nan 8.310 nan 0.000 0.467 73 W N 2.694 123.903 121.300 -0.153 0.000 2.292 73 W HA -0.186 4.474 4.660 -0.000 0.000 0.304 73 W C 1.589 177.993 176.519 -0.192 0.000 1.228 73 W CA 1.105 58.350 57.345 -0.166 0.000 1.241 73 W CB -0.641 28.692 29.460 -0.212 0.000 1.142 73 W HN 0.246 nan 8.180 nan 0.000 0.520 74 L N 0.054 120.955 121.223 -0.537 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.516 179.106 176.870 -0.466 0.000 1.083 74 L CA 1.505 55.925 54.840 -0.700 0.000 0.752 74 L CB -0.670 41.038 42.059 -0.585 0.000 0.899 74 L HN -0.037 nan 8.230 nan 0.000 0.433 75 E N -1.458 118.565 120.200 -0.295 0.000 2.132 75 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 75 E C 0.271 176.780 176.600 -0.153 0.000 0.951 75 E CA 0.388 56.678 56.400 -0.184 0.000 0.843 75 E CB 0.283 29.915 29.700 -0.113 0.000 0.807 75 E HN 0.307 nan 8.360 nan 0.000 0.467 76 C N 2.215 121.437 119.300 -0.131 0.000 2.563 76 C HA 0.362 4.822 4.460 -0.000 0.000 0.314 76 C C -0.092 174.884 174.990 -0.022 0.000 1.199 76 C CA -1.306 57.672 59.018 -0.067 0.000 1.564 76 C CB 1.446 29.170 27.740 -0.027 0.000 2.173 76 C HN 0.214 nan 8.230 nan 0.000 0.485 77 D N 1.602 122.008 120.400 0.011 0.000 2.419 77 D HA 0.194 4.834 4.640 -0.000 0.000 0.236 77 D C 0.025 176.398 176.300 0.121 0.000 1.165 77 D CA 0.502 54.560 54.000 0.096 0.000 0.882 77 D CB 0.621 41.474 40.800 0.088 0.000 1.201 77 D HN 0.367 nan 8.370 nan 0.000 0.443 78 L N 2.513 123.838 121.223 0.171 0.000 2.421 78 L HA 0.205 4.545 4.340 -0.000 0.000 0.263 78 L C -1.027 175.888 176.870 0.075 0.000 1.122 78 L CA -1.540 53.374 54.840 0.124 0.000 0.804 78 L CB 0.620 42.761 42.059 0.136 0.000 1.150 78 L HN 0.261 nan 8.230 nan 0.000 0.457 79 P HA -0.082 nan 4.420 nan 0.000 0.217 79 P C 0.635 177.951 177.300 0.027 0.000 1.154 79 P CA 1.034 64.155 63.100 0.036 0.000 0.841 79 P CB 0.186 31.903 31.700 0.028 0.000 0.788 80 E N 0.064 120.275 120.200 0.018 0.000 2.502 80 E HA 0.264 4.614 4.350 -0.000 0.000 0.194 80 E C 0.756 177.351 176.600 -0.008 0.000 1.062 80 E CA -0.142 56.256 56.400 -0.003 0.000 0.867 80 E CB -0.490 29.192 29.700 -0.030 0.000 0.888 80 E HN 0.177 nan 8.360 nan 0.000 0.510 81 A N 1.539 124.367 122.820 0.013 0.000 2.425 81 A HA 0.108 4.428 4.320 -0.000 0.000 0.249 81 A C -0.102 177.519 177.584 0.062 0.000 1.084 81 A CA -0.394 51.653 52.037 0.015 0.000 0.781 81 A CB 0.388 19.422 19.000 0.056 0.000 1.019 81 A HN 0.034 nan 8.150 nan 0.000 0.490 82 D N 0.533 120.996 120.400 0.105 0.000 2.387 82 D HA 0.418 5.058 4.640 -0.000 0.000 0.255 82 D C -0.518 175.880 176.300 0.163 0.000 1.081 82 D CA 0.106 54.194 54.000 0.146 0.000 0.994 82 D CB 1.339 42.271 40.800 0.221 0.000 1.127 82 D HN 0.423 nan 8.370 nan 0.000 0.513 83 T N 0.799 115.433 114.554 0.134 0.000 2.758 83 T HA 0.430 4.780 4.350 -0.000 0.000 0.285 83 T C -0.190 174.583 174.700 0.122 0.000 0.981 83 T CA -0.443 61.742 62.100 0.142 0.000 0.965 83 T CB 1.077 70.008 68.868 0.106 0.000 0.927 83 T HN 0.016 nan 8.240 nan 0.000 0.448 84 V N 3.706 123.723 119.914 0.173 0.000 3.001 84 V HA 0.514 4.634 4.120 -0.000 0.000 0.314 84 V C -0.264 175.938 176.094 0.181 0.000 1.099 84 V CA -0.800 61.564 62.300 0.107 0.000 0.989 84 V CB 2.588 34.487 31.823 0.127 0.000 1.040 84 V HN 0.631 nan 8.190 nan 0.000 0.434 85 V N 3.473 123.468 119.914 0.135 0.000 2.546 85 V HA 0.432 4.552 4.120 -0.000 0.000 0.284 85 V C -0.210 175.960 176.094 0.127 0.000 1.050 85 V CA -0.213 62.179 62.300 0.153 0.000 0.981 85 V CB 1.634 33.518 31.823 0.102 0.000 0.990 85 V HN 0.548 nan 8.190 nan 0.000 0.474 86 V N 7.606 127.529 119.914 0.015 0.000 2.487 86 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 86 V C -2.253 173.755 176.094 -0.145 0.000 1.028 86 V CA -1.593 60.584 62.300 -0.205 0.000 0.860 86 V CB 2.460 33.809 31.823 -0.790 0.000 0.991 86 V HN 0.778 nan 8.190 nan 0.000 0.427 87 P HA 0.614 nan 4.420 nan 0.000 0.282 87 P C -0.898 176.354 177.300 -0.079 0.000 1.259 87 P CA -0.298 62.709 63.100 -0.155 0.000 0.826 87 P CB 1.736 33.347 31.700 -0.149 0.000 1.064 88 S N -0.077 115.594 115.700 -0.048 0.000 2.656 88 S HA 0.382 4.852 4.470 -0.000 0.000 0.265 88 S C -1.487 173.076 174.600 -0.062 0.000 1.110 88 S CA -1.013 57.145 58.200 -0.071 0.000 0.821 88 S CB 0.104 63.259 63.200 -0.076 0.000 1.099 88 S HN 0.358 nan 8.310 nan 0.000 0.471 89 N N 1.032 119.619 118.700 -0.189 0.000 2.417 89 N HA 0.449 5.189 4.740 -0.000 0.000 0.274 89 N C 0.429 175.791 175.510 -0.247 0.000 0.987 89 N CA -0.759 52.155 53.050 -0.227 0.000 0.912 89 N CB 0.761 39.071 38.487 -0.294 0.000 1.177 89 N HN 0.828 nan 8.380 nan 0.000 0.490 90 W N 2.779 123.960 121.300 -0.199 0.000 2.421 90 W HA -0.090 4.570 4.660 -0.000 0.000 0.270 90 W C 0.877 177.370 176.519 -0.042 0.000 1.233 90 W CA 0.912 58.138 57.345 -0.197 0.000 1.226 90 W CB -0.386 28.887 29.460 -0.311 0.000 1.121 90 W HN 0.509 nan 8.180 nan 0.000 0.579 91 Q N 0.297 120.088 119.800 -0.015 0.000 2.224 91 Q HA -0.104 4.236 4.340 -0.000 0.000 0.203 91 Q C 2.029 177.999 176.000 -0.050 0.000 0.970 91 Q CA 1.596 57.408 55.803 0.016 0.000 0.865 91 Q CB -0.565 28.065 28.738 -0.180 0.000 0.922 91 Q HN 0.211 nan 8.270 nan 0.000 0.445 92 M N -0.936 118.573 119.600 -0.151 0.000 2.630 92 M HA -0.025 4.455 4.480 -0.000 0.000 0.254 92 M C 0.475 176.774 176.300 -0.001 0.000 1.092 92 M CA 1.266 56.470 55.300 -0.159 0.000 1.087 92 M CB -0.521 31.923 32.600 -0.260 0.000 1.453 92 M HN 0.345 nan 8.290 nan 0.000 0.509 93 H N -1.619 117.486 119.070 0.059 0.000 2.755 93 H HA 0.357 4.913 4.556 -0.000 0.000 0.273 93 H C 1.323 176.542 175.328 -0.180 0.000 1.055 93 H CA 0.192 56.254 56.048 0.023 0.000 1.191 93 H CB 0.732 30.609 29.762 0.191 0.000 1.536 93 H HN 0.492 nan 8.280 nan 0.000 0.529 94 G N 0.466 109.261 108.800 -0.008 0.000 2.195 94 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.224 94 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.224 94 G C 0.529 175.286 174.900 -0.238 0.000 0.990 94 G CA 0.278 45.275 45.100 -0.171 0.000 0.639 94 G HN 0.406 nan 8.290 nan 0.000 0.514 95 Y N 2.152 122.422 120.300 -0.050 0.000 2.165 95 Y HA 0.202 4.752 4.550 -0.000 0.000 0.286 95 Y C 1.676 177.297 175.900 -0.465 0.000 1.155 95 Y CA 1.613 59.509 58.100 -0.340 0.000 1.164 95 Y CB -0.196 37.983 38.460 -0.467 0.000 0.978 95 Y HN 0.634 nan 8.280 nan 0.000 0.513 96 D N -2.311 118.167 120.400 0.130 0.000 2.692 96 D HA 0.549 5.189 4.640 -0.000 0.000 0.303 96 D C -1.190 175.213 176.300 0.171 0.000 1.278 96 D CA -0.818 53.281 54.000 0.166 0.000 0.852 96 D CB 0.806 41.876 40.800 0.450 0.000 1.375 96 D HN 0.038 nan 8.370 nan 0.000 0.453 97 A N -0.243 122.682 122.820 0.175 0.000 2.304 97 A HA 0.717 5.037 4.320 -0.000 0.000 0.301 97 A C -2.431 175.193 177.584 0.067 0.000 1.132 97 A CA -1.244 50.870 52.037 0.128 0.000 0.819 97 A CB 0.150 19.281 19.000 0.218 0.000 1.094 97 A HN 0.505 nan 8.150 nan 0.000 0.492 98 P HA 0.463 nan 4.420 nan 0.000 0.278 98 P C -0.871 176.577 177.300 0.247 0.000 1.238 98 P CA 0.061 63.110 63.100 -0.085 0.000 0.794 98 P CB 0.702 32.101 31.700 -0.502 0.000 0.955 99 I N 2.402 123.203 120.570 0.386 0.000 2.441 99 I HA 0.284 4.454 4.170 -0.000 0.000 0.295 99 I C -0.503 175.801 176.117 0.312 0.000 0.994 99 I CA -0.943 60.584 61.300 0.377 0.000 1.144 99 I CB 1.622 39.772 38.000 0.249 0.000 1.314 99 I HN 0.312 nan 8.210 nan 0.000 0.445 100 Y N 5.584 125.848 120.300 -0.059 0.000 2.842 100 Y HA 0.427 4.977 4.550 -0.000 0.000 0.334 100 Y C -0.248 175.497 175.900 -0.259 0.000 1.019 100 Y CA -0.324 57.462 58.100 -0.524 0.000 1.258 100 Y CB 0.972 38.498 38.460 -1.557 0.000 1.106 100 Y HN 0.549 nan 8.280 nan 0.000 0.545 101 T N 3.860 117.897 114.554 -0.862 0.000 2.887 101 T HA 0.270 4.620 4.350 -0.000 0.000 0.288 101 T C 0.329 174.521 174.700 -0.847 0.000 1.021 101 T CA -0.506 61.142 62.100 -0.753 0.000 1.000 101 T CB 1.398 70.046 68.868 -0.366 0.000 1.034 101 T HN 0.866 nan 8.240 nan 0.000 0.467 102 N N 2.093 120.371 118.700 -0.703 0.000 2.335 102 N HA 0.034 4.774 4.740 -0.000 0.000 0.197 102 N C 1.455 176.692 175.510 -0.455 0.000 1.045 102 N CA 0.482 53.232 53.050 -0.500 0.000 0.928 102 N CB 0.219 38.437 38.487 -0.448 0.000 1.118 102 N HN 0.354 nan 8.380 nan 0.000 0.471 103 V N 0.488 120.069 119.914 -0.555 0.000 2.436 103 V HA 0.053 4.173 4.120 -0.000 0.000 0.240 103 V C 0.557 176.310 176.094 -0.568 0.000 1.040 103 V CA 0.776 62.653 62.300 -0.706 0.000 1.052 103 V CB -0.059 31.275 31.823 -0.814 0.000 0.707 103 V HN 0.321 nan 8.190 nan 0.000 0.469 104 T N 1.226 115.522 114.554 -0.429 0.000 2.867 104 T HA 0.114 4.464 4.350 -0.000 0.000 0.297 104 T C -0.404 174.145 174.700 -0.252 0.000 0.989 104 T CA 0.327 62.254 62.100 -0.287 0.000 1.159 104 T CB -0.342 68.393 68.868 -0.221 0.000 0.928 104 T HN 0.192 nan 8.240 nan 0.000 0.538 105 Y N 5.202 125.393 120.300 -0.182 0.000 2.597 105 Y HA 0.111 4.661 4.550 -0.000 0.000 0.336 105 Y C -0.875 174.888 175.900 -0.229 0.000 1.216 105 Y CA -1.824 56.156 58.100 -0.200 0.000 1.463 105 Y CB 0.388 38.728 38.460 -0.200 0.000 1.303 105 Y HN 0.546 nan 8.280 nan 0.000 0.576 106 P HA -0.120 nan 4.420 nan 0.000 0.220 106 P C 0.166 177.278 177.300 -0.314 0.000 1.148 106 P CA 1.364 64.354 63.100 -0.183 0.000 0.803 106 P CB 0.149 31.749 31.700 -0.167 0.000 0.782 107 I N -4.402 115.901 120.570 -0.446 0.000 3.205 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.310 107 I C -0.483 175.495 176.117 -0.232 0.000 1.089 107 I CA -1.042 59.983 61.300 -0.457 0.000 1.023 107 I CB 1.265 38.832 38.000 -0.721 0.000 1.269 107 I HN -0.418 nan 8.210 nan 0.000 0.512 108 T N 2.232 116.690 114.554 -0.160 0.000 2.884 108 T HA 0.243 4.593 4.350 -0.000 0.000 0.298 108 T C 0.139 174.818 174.700 -0.034 0.000 0.998 108 T CA -0.372 61.691 62.100 -0.061 0.000 1.124 108 T CB 1.144 70.003 68.868 -0.014 0.000 0.931 108 T HN 0.383 nan 8.240 nan 0.000 0.531 109 V N 4.611 124.523 119.914 -0.003 0.000 2.326 109 V HA 0.221 4.341 4.120 -0.000 0.000 0.249 109 V C 0.655 176.793 176.094 0.074 0.000 1.114 109 V CA -0.172 62.147 62.300 0.033 0.000 1.028 109 V CB -0.673 31.152 31.823 0.003 0.000 1.170 109 V HN 0.811 nan 8.190 nan 0.000 0.494 110 N N 5.409 124.213 118.700 0.174 0.000 2.673 110 N HA 0.276 5.016 4.740 -0.000 0.000 0.265 110 N C -2.974 172.581 175.510 0.075 0.000 1.709 110 N CA -1.453 51.687 53.050 0.149 0.000 0.792 110 N CB 1.462 40.093 38.487 0.240 0.000 1.286 110 N HN 0.250 nan 8.380 nan 0.000 0.506 111 P HA 0.151 nan 4.420 nan 0.000 0.262 111 P C -2.292 174.718 177.300 -0.482 0.000 1.182 111 P CA -0.687 61.950 63.100 -0.772 0.000 0.761 111 P CB 0.436 31.554 31.700 -0.970 0.000 0.795 112 P HA 0.250 nan 4.420 nan 0.000 0.266 112 P C -0.567 176.572 177.300 -0.268 0.000 1.561 112 P CA -0.344 62.500 63.100 -0.426 0.000 1.089 112 P CB 0.024 31.498 31.700 -0.377 0.000 1.534 113 F N -0.327 119.733 119.950 0.184 0.000 2.399 113 F HA 0.300 4.827 4.527 -0.000 0.000 0.342 113 F C 1.144 177.113 175.800 0.283 0.000 1.106 113 F CA -0.835 57.282 58.000 0.196 0.000 1.196 113 F CB 0.989 40.055 39.000 0.111 0.000 1.163 113 F HN -0.286 nan 8.300 nan 0.000 0.547 114 V N 3.177 123.380 119.914 0.482 0.000 2.994 114 V HA 0.450 4.570 4.120 -0.000 0.000 0.318 114 V C -1.958 174.322 176.094 0.309 0.000 1.085 114 V CA -1.943 60.567 62.300 0.350 0.000 0.998 114 V CB 2.097 34.222 31.823 0.504 0.000 1.063 114 V HN 0.550 nan 8.190 nan 0.000 0.447 115 P HA 0.141 nan 4.420 nan 0.000 0.274 115 P C 0.703 178.163 177.300 0.267 0.000 1.237 115 P CA 0.021 63.237 63.100 0.195 0.000 0.793 115 P CB 0.650 32.429 31.700 0.132 0.000 0.977 116 T N -1.051 113.624 114.554 0.201 0.000 2.833 116 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 116 T C 0.308 175.124 174.700 0.193 0.000 1.054 116 T CA 1.114 63.332 62.100 0.197 0.000 1.135 116 T CB -0.653 68.296 68.868 0.135 0.000 0.869 116 T HN 0.372 nan 8.240 nan 0.000 0.466 117 E N 2.835 123.153 120.200 0.197 0.000 1.996 117 E HA 0.440 4.790 4.350 -0.000 0.000 0.280 117 E C -0.645 176.109 176.600 0.256 0.000 1.092 117 E CA -0.270 56.245 56.400 0.193 0.000 0.862 117 E CB 0.440 30.259 29.700 0.199 0.000 1.066 117 E HN 0.365 nan 8.360 nan 0.000 0.396 118 N N 3.626 122.427 118.700 0.168 0.000 2.577 118 N HA 0.266 5.006 4.740 -0.000 0.000 0.275 118 N C -2.848 172.629 175.510 -0.055 0.000 1.091 118 N CA -2.627 50.520 53.050 0.162 0.000 0.843 118 N CB 1.147 39.776 38.487 0.238 0.000 1.295 118 N HN -0.005 nan 8.380 nan 0.000 0.530 119 P HA -0.015 nan 4.420 nan 0.000 0.247 119 P C -0.651 176.524 177.300 -0.208 0.000 1.141 119 P CA 0.623 63.599 63.100 -0.206 0.000 0.858 119 P CB -0.105 31.749 31.700 0.257 0.000 0.804 120 T N 2.851 117.090 114.554 -0.525 0.000 2.837 120 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 120 T C 0.691 174.952 174.700 -0.731 0.000 0.984 120 T CA -0.395 61.444 62.100 -0.435 0.000 1.049 120 T CB 1.346 69.969 68.868 -0.408 0.000 0.947 120 T HN 0.301 nan 8.240 nan 0.000 0.472 121 G N 1.128 109.616 108.800 -0.519 0.000 2.605 121 G HA2 0.476 4.436 3.960 -0.000 0.000 0.304 121 G HA3 0.476 4.436 3.960 -0.000 0.000 0.304 121 G C -0.320 174.386 174.900 -0.322 0.000 1.333 121 G CA -0.487 44.203 45.100 -0.684 0.000 0.973 121 G HN 0.899 nan 8.290 nan 0.000 0.507 122 C N 3.026 121.893 119.300 -0.721 0.000 2.281 122 C HA 0.511 4.971 4.460 -0.000 0.000 0.336 122 C C -0.388 174.470 174.990 -0.220 0.000 1.217 122 C CA -1.036 57.581 59.018 -0.668 0.000 1.730 122 C CB -1.751 24.992 27.740 -1.663 0.000 2.338 122 C HN 0.598 nan 8.230 nan 0.000 0.521 123 Y N 1.769 122.239 120.300 0.284 0.000 2.457 123 Y HA 0.671 5.221 4.550 -0.000 0.000 0.333 123 Y C 0.762 177.120 175.900 0.762 0.000 1.119 123 Y CA -0.433 58.005 58.100 0.562 0.000 1.143 123 Y CB 1.484 40.288 38.460 0.573 0.000 1.230 123 Y HN 0.732 nan 8.280 nan 0.000 0.469 124 S N 1.910 118.115 115.700 0.843 0.000 2.537 124 S HA 0.786 5.256 4.470 -0.000 0.000 0.271 124 S C -1.814 172.868 174.600 0.138 0.000 1.148 124 S CA -0.826 57.665 58.200 0.486 0.000 0.868 124 S CB 1.883 65.306 63.200 0.372 0.000 1.115 124 S HN 0.752 nan 8.310 nan 0.000 0.461 125 L N 0.665 121.810 121.223 -0.129 0.000 2.513 125 L HA 0.781 5.121 4.340 -0.000 0.000 0.261 125 L C -1.445 175.383 176.870 -0.070 0.000 0.945 125 L CA 0.024 54.623 54.840 -0.403 0.000 0.848 125 L CB 2.358 43.587 42.059 -1.383 0.000 1.334 125 L HN 0.863 nan 8.230 nan 0.000 0.407 126 T N 5.234 119.768 114.554 -0.033 0.000 2.770 126 T HA 0.748 5.098 4.350 -0.000 0.000 0.283 126 T C -0.914 173.853 174.700 0.112 0.000 0.988 126 T CA -0.079 62.045 62.100 0.040 0.000 0.957 126 T CB 0.378 69.225 68.868 -0.034 0.000 0.930 126 T HN 0.487 nan 8.240 nan 0.000 0.443 127 F N 0.851 120.717 119.950 -0.140 0.000 2.685 127 F HA 0.734 5.261 4.527 -0.000 0.000 0.315 127 F C -0.917 174.823 175.800 -0.100 0.000 1.126 127 F CA -1.514 56.410 58.000 -0.127 0.000 0.950 127 F CB 1.372 40.286 39.000 -0.144 0.000 1.360 127 F HN 0.228 nan 8.300 nan 0.000 0.469 128 N N 0.163 118.784 118.700 -0.132 0.000 2.399 128 N HA 0.665 5.405 4.740 -0.000 0.000 0.295 128 N C -1.643 173.789 175.510 -0.129 0.000 1.048 128 N CA -0.579 52.356 53.050 -0.191 0.000 0.886 128 N CB 2.183 40.600 38.487 -0.116 0.000 1.185 128 N HN 0.576 nan 8.380 nan 0.000 0.487 129 V N 1.494 121.295 119.914 -0.188 0.000 2.459 129 V HA 0.243 4.363 4.120 -0.000 0.000 0.295 129 V C -0.245 175.714 176.094 -0.224 0.000 1.029 129 V CA -0.951 61.246 62.300 -0.171 0.000 0.874 129 V CB 1.519 33.305 31.823 -0.062 0.000 0.985 129 V HN 0.661 nan 8.190 nan 0.000 0.438 130 D N 3.181 123.337 120.400 -0.407 0.000 2.424 130 D HA -0.014 4.626 4.640 -0.000 0.000 0.244 130 D C 1.300 177.506 176.300 -0.157 0.000 1.134 130 D CA 0.117 53.924 54.000 -0.321 0.000 0.881 130 D CB 1.201 41.747 40.800 -0.424 0.000 1.191 130 D HN 0.833 nan 8.370 nan 0.000 0.445 131 E N 2.236 122.390 120.200 -0.076 0.000 2.347 131 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 131 E C 1.359 177.987 176.600 0.047 0.000 1.008 131 E CA 0.774 57.172 56.400 -0.004 0.000 0.852 131 E CB -0.031 29.664 29.700 -0.008 0.000 0.783 131 E HN 0.367 nan 8.360 nan 0.000 0.505 132 S N 0.340 116.066 115.700 0.043 0.000 2.370 132 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 132 S C 1.441 176.139 174.600 0.163 0.000 1.033 132 S CA 1.309 59.570 58.200 0.101 0.000 1.011 132 S CB -0.596 62.673 63.200 0.115 0.000 0.852 132 S HN 0.585 nan 8.310 nan 0.000 0.457 133 W N 1.388 122.546 121.300 -0.236 0.000 2.392 133 W HA 0.196 4.856 4.660 -0.000 0.000 0.279 133 W C 2.120 178.587 176.519 -0.087 0.000 1.225 133 W CA 0.087 57.163 57.345 -0.447 0.000 1.233 133 W CB -0.799 28.427 29.460 -0.390 0.000 1.122 133 W HN 0.338 nan 8.180 nan 0.000 0.561 134 L N -0.542 120.811 121.223 0.217 0.000 2.341 134 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 134 L C 2.198 179.143 176.870 0.125 0.000 1.115 134 L CA 0.875 55.814 54.840 0.165 0.000 0.820 134 L CB -0.255 41.871 42.059 0.112 0.000 0.944 134 L HN -0.000 nan 8.230 nan 0.000 0.452 135 Q N -0.261 119.607 119.800 0.112 0.000 2.008 135 Q HA -0.084 4.256 4.340 -0.000 0.000 0.196 135 Q C 0.842 176.898 176.000 0.094 0.000 0.973 135 Q CA 0.898 56.753 55.803 0.086 0.000 0.826 135 Q CB 0.012 28.790 28.738 0.068 0.000 0.894 135 Q HN 0.193 nan 8.270 nan 0.000 0.439 136 E N 0.592 120.866 120.200 0.122 0.000 2.235 136 E HA 0.463 4.813 4.350 -0.000 0.000 0.265 136 E C 0.296 177.001 176.600 0.175 0.000 0.940 136 E CA 0.014 56.484 56.400 0.116 0.000 0.819 136 E CB 1.263 31.017 29.700 0.089 0.000 1.206 136 E HN 0.287 nan 8.360 nan 0.000 0.409 137 G N 1.885 110.709 108.800 0.040 0.000 2.632 137 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.224 137 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.224 137 G C -0.946 173.888 174.900 -0.111 0.000 1.341 137 G CA 0.050 45.071 45.100 -0.133 0.000 0.880 137 G HN 0.783 nan 8.290 nan 0.000 0.566 138 Q N -0.398 119.208 119.800 -0.325 0.000 2.347 138 Q HA 0.646 4.986 4.340 -0.000 0.000 0.271 138 Q C -1.292 174.600 176.000 -0.179 0.000 1.064 138 Q CA -0.442 55.259 55.803 -0.170 0.000 0.800 138 Q CB 1.892 30.558 28.738 -0.120 0.000 1.304 138 Q HN 0.643 nan 8.270 nan 0.000 0.438 139 T N 4.965 119.543 114.554 0.040 0.000 2.815 139 T HA 0.483 4.833 4.350 -0.000 0.000 0.289 139 T C -0.715 174.067 174.700 0.137 0.000 1.000 139 T CA -0.630 61.545 62.100 0.125 0.000 0.958 139 T CB 0.566 69.624 68.868 0.317 0.000 0.944 139 T HN 0.625 nan 8.240 nan 0.000 0.442 140 R N 3.168 123.725 120.500 0.094 0.000 2.854 140 R HA 0.757 5.097 4.340 -0.000 0.000 0.271 140 R C -1.230 175.136 176.300 0.111 0.000 0.994 140 R CA -0.980 55.191 56.100 0.118 0.000 0.945 140 R CB 1.661 32.016 30.300 0.092 0.000 1.194 140 R HN 0.531 nan 8.270 nan 0.000 0.476 141 I N 2.719 123.362 120.570 0.123 0.000 2.460 141 I HA 0.431 4.601 4.170 -0.000 0.000 0.298 141 I C -1.030 175.095 176.117 0.014 0.000 0.989 141 I CA -1.365 59.951 61.300 0.025 0.000 1.173 141 I CB 1.399 39.393 38.000 -0.010 0.000 1.338 141 I HN 0.620 nan 8.210 nan 0.000 0.456 142 I N 7.225 127.701 120.570 -0.158 0.000 2.447 142 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 142 I C -1.254 174.655 176.117 -0.346 0.000 1.023 142 I CA -0.407 60.816 61.300 -0.129 0.000 1.083 142 I CB 1.554 39.516 38.000 -0.064 0.000 1.245 142 I HN 0.369 nan 8.210 nan 0.000 0.434 143 F N 4.520 124.479 119.950 0.015 0.000 2.334 143 F HA 0.266 4.793 4.527 -0.000 0.000 0.367 143 F C 1.319 177.026 175.800 -0.156 0.000 1.115 143 F CA -0.493 57.448 58.000 -0.099 0.000 1.116 143 F CB 0.738 39.653 39.000 -0.141 0.000 1.230 143 F HN 0.462 nan 8.300 nan 0.000 0.484 144 D N 2.336 122.691 120.400 -0.075 0.000 2.263 144 D HA 0.016 4.656 4.640 -0.000 0.000 0.208 144 D C 1.003 177.157 176.300 -0.243 0.000 0.971 144 D CA 1.057 54.959 54.000 -0.163 0.000 0.867 144 D CB 0.285 40.947 40.800 -0.232 0.000 0.929 144 D HN 0.648 nan 8.370 nan 0.000 0.492 145 G N -0.879 107.707 108.800 -0.357 0.000 2.682 145 G HA2 0.431 4.391 3.960 -0.000 0.000 0.300 145 G HA3 0.431 4.391 3.960 -0.000 0.000 0.300 145 G C -1.621 172.908 174.900 -0.618 0.000 1.396 145 G CA -0.514 44.244 45.100 -0.570 0.000 1.104 145 G HN -0.051 nan 8.290 nan 0.000 0.587 146 V N 2.386 122.155 119.914 -0.241 0.000 2.612 146 V HA 0.556 4.676 4.120 -0.000 0.000 0.301 146 V C -0.897 175.259 176.094 0.103 0.000 1.059 146 V CA -1.164 61.030 62.300 -0.176 0.000 0.886 146 V CB 1.950 33.400 31.823 -0.623 0.000 1.007 146 V HN 0.756 nan 8.190 nan 0.000 0.426 147 N N 2.351 121.142 118.700 0.152 0.000 2.372 147 N HA 0.366 5.106 4.740 -0.000 0.000 0.285 147 N C 0.620 176.081 175.510 -0.083 0.000 1.008 147 N CA 0.187 53.258 53.050 0.034 0.000 0.880 147 N CB 2.376 40.784 38.487 -0.131 0.000 1.239 147 N HN 0.667 nan 8.380 nan 0.000 0.484 148 S N 2.054 117.734 115.700 -0.033 0.000 2.505 148 S HA 0.541 5.011 4.470 -0.000 0.000 0.216 148 S C 0.321 174.986 174.600 0.108 0.000 1.018 148 S CA 0.217 58.448 58.200 0.052 0.000 0.911 148 S CB 0.240 63.487 63.200 0.078 0.000 0.818 148 S HN 0.697 nan 8.310 nan 0.000 0.497 149 A N 0.724 123.621 122.820 0.129 0.000 2.606 149 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 149 A C -1.268 176.460 177.584 0.239 0.000 1.082 149 A CA -0.934 51.166 52.037 0.105 0.000 0.685 149 A CB 0.939 20.019 19.000 0.134 0.000 1.284 149 A HN 1.188 nan 8.150 nan 0.000 0.408 150 F N -0.660 119.168 119.950 -0.203 0.000 2.725 150 F HA 0.696 5.223 4.527 -0.000 0.000 0.309 150 F C -1.363 174.443 175.800 0.009 0.000 1.132 150 F CA -0.777 57.192 58.000 -0.052 0.000 0.957 150 F CB 1.017 39.956 39.000 -0.101 0.000 1.286 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 2.028 121.293 119.070 0.326 0.000 2.499 151 H HA 0.773 5.329 4.556 -0.000 0.000 0.340 151 H C -1.422 173.974 175.328 0.113 0.000 1.148 151 H CA -0.719 55.439 56.048 0.184 0.000 1.215 151 H CB 2.422 32.323 29.762 0.231 0.000 1.529 151 H HN 0.816 nan 8.280 nan 0.000 0.510 152 L N 2.409 123.529 121.223 -0.173 0.000 2.408 152 L HA 0.413 4.753 4.340 -0.000 0.000 0.268 152 L C -1.736 174.878 176.870 -0.426 0.000 0.986 152 L CA -0.529 54.242 54.840 -0.114 0.000 0.820 152 L CB 1.725 43.584 42.059 -0.333 0.000 1.303 152 L HN 0.513 nan 8.230 nan 0.000 0.411 153 W N 4.194 125.468 121.300 -0.043 0.000 2.761 153 W HA 0.624 5.284 4.660 -0.000 0.000 0.340 153 W C -1.137 175.316 176.519 -0.111 0.000 1.072 153 W CA -0.789 56.500 57.345 -0.094 0.000 1.215 153 W CB 2.094 31.528 29.460 -0.043 0.000 1.420 153 W HN 0.646 nan 8.180 nan 0.000 0.519 154 C N 4.833 124.204 119.300 0.119 0.000 2.397 154 C HA 0.298 4.758 4.460 -0.000 0.000 0.325 154 C C 0.162 175.253 174.990 0.168 0.000 1.201 154 C CA -0.389 58.683 59.018 0.090 0.000 1.377 154 C CB -0.497 27.219 27.740 -0.039 0.000 2.038 154 C HN 0.808 nan 8.230 nan 0.000 0.457 155 N N 3.712 122.481 118.700 0.115 0.000 2.727 155 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 155 N C 0.985 176.553 175.510 0.097 0.000 1.048 155 N CA 2.064 55.161 53.050 0.078 0.000 0.714 155 N CB -1.330 37.207 38.487 0.083 0.000 0.959 155 N HN 1.873 nan 8.380 nan 0.000 0.544 156 G N -1.276 107.572 108.800 0.080 0.000 2.225 156 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.254 156 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.254 156 G C 0.174 175.243 174.900 0.281 0.000 0.988 156 G CA 0.550 45.691 45.100 0.069 0.000 0.625 156 G HN 0.550 nan 8.290 nan 0.000 0.527 157 R N -0.709 120.017 120.500 0.377 0.000 2.312 157 R HA 0.415 4.755 4.340 -0.000 0.000 0.311 157 R C -0.151 176.429 176.300 0.466 0.000 1.004 157 R CA -0.859 55.535 56.100 0.490 0.000 0.902 157 R CB 0.749 31.373 30.300 0.540 0.000 1.073 157 R HN 0.249 nan 8.270 nan 0.000 0.457 158 W N 4.188 125.620 121.300 0.220 0.000 2.308 158 W HA 0.055 4.715 4.660 -0.000 0.000 0.324 158 W C 0.025 176.387 176.519 -0.263 0.000 1.387 158 W CA 0.065 57.167 57.345 -0.406 0.000 1.250 158 W CB 0.616 29.849 29.460 -0.379 0.000 1.257 158 W HN 0.354 nan 8.180 nan 0.000 0.554 159 V N 5.518 124.577 119.914 -1.426 0.000 2.806 159 V HA 0.542 4.662 4.120 -0.000 0.000 0.239 159 V C 1.082 176.202 176.094 -1.623 0.000 1.113 159 V CA 0.974 62.492 62.300 -1.304 0.000 1.137 159 V CB -0.363 30.762 31.823 -1.163 0.000 0.865 159 V HN 0.801 nan 8.190 nan 0.000 0.482 160 G N -1.678 105.942 108.800 -1.966 0.000 2.340 160 G HA2 0.462 4.422 3.960 -0.000 0.000 0.299 160 G HA3 0.462 4.422 3.960 -0.000 0.000 0.299 160 G C -2.462 172.158 174.900 -0.468 0.000 1.291 160 G CA -0.281 44.138 45.100 -1.135 0.000 0.841 160 G HN -0.016 nan 8.290 nan 0.000 0.500 161 Y N -0.542 119.646 120.300 -0.186 0.000 2.562 161 Y HA 0.727 5.277 4.550 -0.000 0.000 0.345 161 Y C -0.074 175.651 175.900 -0.292 0.000 1.045 161 Y CA -0.145 57.760 58.100 -0.326 0.000 1.028 161 Y CB 2.268 40.665 38.460 -0.105 0.000 1.297 161 Y HN 1.291 nan 8.280 nan 0.000 0.463 162 G N 3.500 111.470 108.800 -1.383 0.000 2.733 162 G HA2 0.583 4.543 3.960 -0.000 0.000 0.297 162 G HA3 0.583 4.543 3.960 -0.000 0.000 0.297 162 G C -2.156 172.269 174.900 -0.791 0.000 1.422 162 G CA -0.902 43.663 45.100 -0.893 0.000 0.942 162 G HN 0.605 nan 8.290 nan 0.000 0.510 163 Q N -0.030 119.552 119.800 -0.363 0.000 2.496 163 Q HA 0.608 4.948 4.340 -0.000 0.000 0.286 163 Q C -1.330 174.659 176.000 -0.020 0.000 1.103 163 Q CA -0.882 54.832 55.803 -0.148 0.000 0.813 163 Q CB 2.734 31.430 28.738 -0.070 0.000 1.444 163 Q HN 0.637 nan 8.270 nan 0.000 0.443 164 D N -0.075 120.355 120.400 0.049 0.000 4.370 164 D HA -0.097 4.543 4.640 -0.000 0.000 0.238 164 D C -0.401 175.956 176.300 0.096 0.000 1.104 164 D CA 0.550 54.596 54.000 0.077 0.000 1.101 164 D CB -0.681 40.150 40.800 0.051 0.000 0.749 164 D HN 0.569 nan 8.370 nan 0.000 0.351 165 S N 3.108 118.881 115.700 0.122 0.000 2.500 165 S HA -0.162 4.308 4.470 -0.000 0.000 0.239 165 S C 1.696 176.415 174.600 0.199 0.000 0.989 165 S CA 0.999 59.300 58.200 0.169 0.000 0.951 165 S CB 0.025 63.316 63.200 0.151 0.000 0.759 165 S HN 0.642 nan 8.310 nan 0.000 0.523 166 R N 0.288 120.873 120.500 0.142 0.000 2.334 166 R HA 0.397 4.737 4.340 -0.000 0.000 0.212 166 R C 0.140 176.499 176.300 0.099 0.000 0.897 166 R CA 0.070 56.255 56.100 0.143 0.000 1.056 166 R CB -0.204 30.185 30.300 0.149 0.000 1.046 166 R HN 0.342 nan 8.270 nan 0.000 0.513 167 L N 1.914 123.171 121.223 0.056 0.000 2.333 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.263 167 L C -2.432 174.426 176.870 -0.020 0.000 1.014 167 L CA -2.695 52.152 54.840 0.011 0.000 0.820 167 L CB 2.444 44.501 42.059 -0.004 0.000 1.352 167 L HN -0.210 nan 8.230 nan 0.000 0.421 168 P HA 0.055 nan 4.420 nan 0.000 0.265 168 P C -1.057 176.227 177.300 -0.027 0.000 1.193 168 P CA -0.043 63.028 63.100 -0.048 0.000 0.765 168 P CB 0.650 32.287 31.700 -0.105 0.000 0.823 169 S N 2.066 117.810 115.700 0.073 0.000 2.449 169 S HA 0.344 4.814 4.470 -0.000 0.000 0.310 169 S C -0.349 174.261 174.600 0.018 0.000 1.096 169 S CA -0.642 57.578 58.200 0.033 0.000 1.095 169 S CB 0.917 64.243 63.200 0.209 0.000 1.007 169 S HN 0.371 nan 8.310 nan 0.000 0.474 170 E N 1.913 121.938 120.200 -0.291 0.000 2.238 170 E HA 0.616 4.966 4.350 -0.000 0.000 0.267 170 E C -1.458 174.879 176.600 -0.439 0.000 0.887 170 E CA -0.629 55.674 56.400 -0.162 0.000 0.769 170 E CB 1.618 31.309 29.700 -0.016 0.000 1.187 170 E HN 0.428 nan 8.360 nan 0.000 0.416 171 F N 0.159 120.167 119.950 0.097 0.000 2.588 171 F HA 0.246 4.773 4.527 -0.000 0.000 0.310 171 F C -0.072 175.757 175.800 0.049 0.000 1.082 171 F CA -1.254 56.776 58.000 0.050 0.000 0.929 171 F CB 1.186 40.185 39.000 -0.002 0.000 1.254 171 F HN 0.234 nan 8.300 nan 0.000 0.455 172 D N 2.212 122.771 120.400 0.265 0.000 2.339 172 D HA 0.232 4.872 4.640 -0.000 0.000 0.256 172 D C 0.467 176.909 176.300 0.236 0.000 1.214 172 D CA 0.390 54.512 54.000 0.204 0.000 0.877 172 D CB 0.978 41.887 40.800 0.182 0.000 1.111 172 D HN 0.596 nan 8.370 nan 0.000 0.478 173 L N 2.533 123.893 121.223 0.229 0.000 2.554 173 L HA -0.038 4.302 4.340 -0.000 0.000 0.225 173 L C 2.217 179.338 176.870 0.419 0.000 1.104 173 L CA -0.084 54.925 54.840 0.283 0.000 0.866 173 L CB -0.002 42.188 42.059 0.218 0.000 1.047 173 L HN 0.321 nan 8.230 nan 0.000 0.468 174 S N 1.273 117.147 115.700 0.291 0.000 2.461 174 S HA -0.366 4.104 4.470 -0.000 0.000 0.266 174 S C 1.779 176.490 174.600 0.185 0.000 1.138 174 S CA 2.136 60.466 58.200 0.217 0.000 1.146 174 S CB -0.324 62.962 63.200 0.144 0.000 1.042 174 S HN 0.584 nan 8.310 nan 0.000 0.448 175 A N -0.934 121.989 122.820 0.171 0.000 2.307 175 A HA 0.456 4.776 4.320 -0.000 0.000 0.218 175 A C 0.928 178.388 177.584 -0.207 0.000 1.228 175 A CA 0.029 52.027 52.037 -0.065 0.000 0.857 175 A CB -0.274 18.564 19.000 -0.269 0.000 0.897 175 A HN 0.473 nan 8.150 nan 0.000 0.495 176 F N -1.042 118.948 119.950 0.068 0.000 2.746 176 F HA 0.370 4.897 4.527 -0.000 0.000 0.313 176 F C 0.508 176.341 175.800 0.056 0.000 1.095 176 F CA -0.655 57.381 58.000 0.061 0.000 1.224 176 F CB -0.013 39.026 39.000 0.065 0.000 1.060 176 F HN -0.057 nan 8.300 nan 0.000 0.584 177 L N 1.983 123.368 121.223 0.270 0.000 2.397 177 L HA 0.344 4.684 4.340 -0.000 0.000 0.271 177 L C 0.415 177.334 176.870 0.082 0.000 1.148 177 L CA -0.065 54.874 54.840 0.165 0.000 0.825 177 L CB 0.729 42.906 42.059 0.197 0.000 1.117 177 L HN 0.033 nan 8.230 nan 0.000 0.456 178 R N 1.462 121.972 120.500 0.018 0.000 2.787 178 R HA 0.680 5.020 4.340 -0.000 0.000 0.271 178 R C -0.542 175.734 176.300 -0.040 0.000 0.993 178 R CA -0.890 55.201 56.100 -0.015 0.000 0.993 178 R CB 1.798 32.071 30.300 -0.044 0.000 1.155 178 R HN 0.703 nan 8.270 nan 0.000 0.486 179 A N 0.795 123.594 122.820 -0.035 0.000 2.388 179 A HA 0.562 4.882 4.320 -0.000 0.000 0.257 179 A C 0.832 178.365 177.584 -0.085 0.000 1.095 179 A CA 0.705 52.712 52.037 -0.049 0.000 0.791 179 A CB 0.128 19.108 19.000 -0.032 0.000 1.029 179 A HN 0.870 nan 8.150 nan 0.000 0.489 180 G N 1.045 109.780 108.800 -0.108 0.000 2.536 180 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.277 180 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.277 180 G C 0.081 174.858 174.900 -0.206 0.000 1.155 180 G CA 0.301 45.321 45.100 -0.133 0.000 0.960 180 G HN 0.977 nan 8.290 nan 0.000 0.544 181 E N 2.335 122.420 120.200 -0.191 0.000 2.265 181 E HA 0.255 4.605 4.350 -0.000 0.000 0.272 181 E C -0.082 176.325 176.600 -0.322 0.000 1.067 181 E CA 0.026 56.277 56.400 -0.248 0.000 0.900 181 E CB 0.110 29.712 29.700 -0.164 0.000 1.017 181 E HN 0.368 nan 8.360 nan 0.000 0.431 182 N N 2.793 121.145 118.700 -0.580 0.000 2.328 182 N HA 0.396 5.136 4.740 -0.000 0.000 0.299 182 N C -0.789 174.438 175.510 -0.472 0.000 1.179 182 N CA -0.629 52.059 53.050 -0.604 0.000 0.793 182 N CB 2.182 40.085 38.487 -0.973 0.000 1.366 182 N HN 0.285 nan 8.380 nan 0.000 0.493 183 R N 1.540 121.944 120.500 -0.159 0.000 2.532 183 R HA 0.444 4.784 4.340 -0.000 0.000 0.297 183 R C -1.177 175.202 176.300 0.133 0.000 0.984 183 R CA -0.508 55.599 56.100 0.012 0.000 0.884 183 R CB 1.086 31.353 30.300 -0.055 0.000 1.182 183 R HN 0.489 nan 8.270 nan 0.000 0.442 184 L N 2.991 124.349 121.223 0.225 0.000 2.307 184 L HA 0.641 4.981 4.340 -0.000 0.000 0.282 184 L C -0.093 176.867 176.870 0.150 0.000 1.051 184 L CA -0.699 54.264 54.840 0.205 0.000 0.804 184 L CB 1.809 43.994 42.059 0.211 0.000 1.197 184 L HN 0.676 nan 8.230 nan 0.000 0.431 185 A N 3.681 126.595 122.820 0.156 0.000 2.375 185 A HA 0.670 4.990 4.320 -0.000 0.000 0.291 185 A C -0.883 177.024 177.584 0.538 0.000 1.160 185 A CA -0.441 51.629 52.037 0.055 0.000 0.747 185 A CB 1.239 19.672 19.000 -0.946 0.000 1.170 185 A HN 0.380 nan 8.150 nan 0.000 0.458 186 V N 3.533 123.928 119.914 0.803 0.000 2.347 186 V HA 0.451 4.571 4.120 -0.000 0.000 0.280 186 V C 0.131 176.716 176.094 0.818 0.000 1.021 186 V CA -0.244 62.504 62.300 0.746 0.000 0.847 186 V CB 1.204 33.310 31.823 0.471 0.000 0.990 186 V HN 0.944 nan 8.190 nan 0.000 0.444 187 M N 6.438 126.524 119.600 0.809 0.000 2.061 187 M HA 0.554 5.034 4.480 -0.000 0.000 0.346 187 M C -1.284 175.250 176.300 0.390 0.000 1.112 187 M CA -0.318 55.273 55.300 0.485 0.000 1.021 187 M CB 1.135 34.064 32.600 0.548 0.000 1.530 187 M HN 0.455 nan 8.290 nan 0.000 0.437 188 V N 6.768 126.870 119.914 0.314 0.000 2.439 188 V HA 0.417 4.537 4.120 -0.000 0.000 0.282 188 V C 0.032 176.278 176.094 0.253 0.000 1.039 188 V CA -0.744 61.741 62.300 0.307 0.000 0.913 188 V CB 1.180 33.224 31.823 0.367 0.000 0.983 188 V HN 0.791 nan 8.190 nan 0.000 0.460 189 L N 3.749 125.058 121.223 0.143 0.000 2.334 189 L HA 0.627 4.967 4.340 -0.000 0.000 0.275 189 L C 1.285 178.132 176.870 -0.038 0.000 1.036 189 L CA -0.728 54.121 54.840 0.015 0.000 0.807 189 L CB 1.318 43.267 42.059 -0.183 0.000 1.231 189 L HN 0.539 nan 8.230 nan 0.000 0.438 190 R N 1.638 122.023 120.500 -0.191 0.000 2.055 190 R HA 0.024 4.364 4.340 -0.000 0.000 0.228 190 R C -0.283 175.676 176.300 -0.568 0.000 1.143 190 R CA 1.411 57.138 56.100 -0.621 0.000 0.945 190 R CB 0.152 29.799 30.300 -1.089 0.000 0.841 190 R HN 0.613 nan 8.270 nan 0.000 0.429 191 W N 0.548 121.898 121.300 0.084 0.000 2.496 191 W HA 0.328 4.988 4.660 -0.000 0.000 0.327 191 W C -0.062 176.567 176.519 0.183 0.000 1.086 191 W CA -0.846 56.560 57.345 0.102 0.000 1.222 191 W CB 1.463 30.988 29.460 0.109 0.000 1.304 191 W HN 0.046 nan 8.180 nan 0.000 0.547 192 S N -0.903 115.084 115.700 0.478 0.000 2.688 192 S HA 0.216 4.686 4.470 -0.000 0.000 0.275 192 S C 0.148 175.000 174.600 0.420 0.000 1.175 192 S CA -0.545 57.948 58.200 0.488 0.000 0.818 192 S CB 1.296 64.747 63.200 0.419 0.000 1.157 192 S HN 0.620 nan 8.310 nan 0.000 0.482 193 D N 0.559 121.208 120.400 0.415 0.000 2.218 193 D HA 0.039 4.679 4.640 -0.000 0.000 0.204 193 D C 1.816 178.417 176.300 0.501 0.000 0.976 193 D CA 1.266 55.547 54.000 0.468 0.000 0.853 193 D CB -0.800 40.148 40.800 0.246 0.000 0.939 193 D HN 0.700 nan 8.370 nan 0.000 0.481 194 G N 0.053 109.067 108.800 0.356 0.000 2.462 194 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 194 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 194 G C 1.726 176.801 174.900 0.292 0.000 1.121 194 G CA 0.841 46.123 45.100 0.303 0.000 0.758 194 G HN 0.324 nan 8.290 nan 0.000 0.559 195 S N -0.144 115.716 115.700 0.266 0.000 2.399 195 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 195 S C 1.901 176.586 174.600 0.142 0.000 1.022 195 S CA 0.763 59.082 58.200 0.197 0.000 0.983 195 S CB -0.400 62.910 63.200 0.184 0.000 0.803 195 S HN 0.566 nan 8.310 nan 0.000 0.480 196 Y N 1.020 121.423 120.300 0.171 0.000 2.483 196 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 196 Y C 1.502 177.498 175.900 0.160 0.000 1.143 196 Y CA 0.606 58.736 58.100 0.051 0.000 1.289 196 Y CB -0.166 38.204 38.460 -0.151 0.000 0.983 196 Y HN 0.194 nan 8.280 nan 0.000 0.556 197 L N -0.207 121.200 121.223 0.305 0.000 2.769 197 L HA 0.149 4.489 4.340 -0.000 0.000 0.240 197 L C 0.037 177.040 176.870 0.222 0.000 1.163 197 L CA 0.346 55.323 54.840 0.228 0.000 0.962 197 L CB 0.123 42.315 42.059 0.221 0.000 1.258 197 L HN 0.157 nan 8.230 nan 0.000 0.513 198 E N -0.297 120.049 120.200 0.244 0.000 3.646 198 E HA 0.041 4.391 4.350 -0.000 0.000 0.211 198 E C -0.453 176.253 176.600 0.176 0.000 1.034 198 E CA -0.071 56.457 56.400 0.213 0.000 1.341 198 E CB 0.528 30.348 29.700 0.199 0.000 1.202 198 E HN 0.030 nan 8.360 nan 0.000 0.447 199 D N 1.346 121.813 120.400 0.112 0.000 2.519 199 D HA 0.014 4.654 4.640 -0.000 0.000 0.238 199 D C -0.173 176.118 176.300 -0.015 0.000 1.192 199 D CA -0.003 53.951 54.000 -0.077 0.000 0.835 199 D CB 0.087 40.602 40.800 -0.475 0.000 0.975 199 D HN 0.065 nan 8.370 nan 0.000 0.490 200 Q N 0.361 120.244 119.800 0.137 0.000 2.421 200 Q HA 0.126 4.466 4.340 -0.000 0.000 0.255 200 Q C -0.086 176.022 176.000 0.181 0.000 1.013 200 Q CA 0.036 55.985 55.803 0.244 0.000 0.895 200 Q CB 0.543 29.569 28.738 0.479 0.000 1.271 200 Q HN 0.042 nan 8.270 nan 0.000 0.460 201 D N 2.703 123.240 120.400 0.228 0.000 2.441 201 D HA 0.194 4.834 4.640 -0.000 0.000 0.243 201 D C -0.816 175.635 176.300 0.250 0.000 1.257 201 D CA 0.154 54.254 54.000 0.167 0.000 1.027 201 D CB -0.402 40.518 40.800 0.200 0.000 1.084 201 D HN 0.485 nan 8.370 nan 0.000 0.514 202 M N 0.423 120.121 119.600 0.163 0.000 3.084 202 M HA 0.404 4.884 4.480 -0.000 0.000 0.273 202 M C -1.262 175.140 176.300 0.171 0.000 1.242 202 M CA -1.208 54.157 55.300 0.108 0.000 0.819 202 M CB 1.063 33.656 32.600 -0.012 0.000 1.625 202 M HN -0.077 nan 8.290 nan 0.000 0.493 203 W N 1.936 123.332 121.300 0.160 0.000 2.210 203 W HA 0.349 5.009 4.660 -0.000 0.000 0.330 203 W C 0.189 176.721 176.519 0.021 0.000 1.334 203 W CA -0.106 57.314 57.345 0.124 0.000 1.227 203 W CB 0.440 29.919 29.460 0.030 0.000 1.178 203 W HN 0.264 nan 8.180 nan 0.000 0.560 204 R N 4.829 125.499 120.500 0.283 0.000 2.205 204 R HA 0.393 4.733 4.340 -0.000 0.000 0.342 204 R C -0.154 176.171 176.300 0.042 0.000 1.058 204 R CA -0.180 56.017 56.100 0.163 0.000 0.904 204 R CB 0.096 30.544 30.300 0.246 0.000 1.089 204 R HN 0.564 nan 8.270 nan 0.000 0.471 205 M N 0.212 119.734 119.600 -0.130 0.000 2.792 205 M HA 0.527 5.007 4.480 -0.000 0.000 0.290 205 M C -0.120 175.867 176.300 -0.523 0.000 1.155 205 M CA -0.748 54.357 55.300 -0.326 0.000 0.781 205 M CB 2.223 34.621 32.600 -0.337 0.000 1.741 205 M HN 0.625 nan 8.290 nan 0.000 0.473 206 S N -1.260 114.000 115.700 -0.734 0.000 2.611 206 S HA 0.934 5.404 4.470 -0.000 0.000 0.268 206 S C -0.578 173.567 174.600 -0.758 0.000 1.156 206 S CA -0.272 57.398 58.200 -0.884 0.000 0.817 206 S CB 1.657 64.138 63.200 -1.200 0.000 1.122 206 S HN 1.421 nan 8.310 nan 0.000 0.466 207 G N 0.067 108.629 108.800 -0.397 0.000 2.362 207 G HA2 0.128 4.088 3.960 -0.000 0.000 0.517 207 G HA3 0.128 4.088 3.960 -0.000 0.000 0.517 207 G C -1.400 173.487 174.900 -0.021 0.000 1.256 207 G CA -0.576 44.548 45.100 0.040 0.000 1.027 207 G HN 1.179 nan 8.290 nan 0.000 0.491 208 I N 2.068 122.502 120.570 -0.226 0.000 2.316 208 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 208 I C 1.132 177.118 176.117 -0.219 0.000 1.107 208 I CA -0.284 60.781 61.300 -0.392 0.000 1.219 208 I CB -0.130 37.414 38.000 -0.760 0.000 1.455 208 I HN 0.518 nan 8.210 nan 0.000 0.498 209 F N 4.098 123.913 119.950 -0.226 0.000 2.765 209 F HA 0.411 4.938 4.527 -0.000 0.000 0.302 209 F C 0.699 176.436 175.800 -0.105 0.000 1.111 209 F CA -0.459 57.443 58.000 -0.164 0.000 1.359 209 F CB 0.083 38.985 39.000 -0.164 0.000 1.097 209 F HN 0.133 nan 8.300 nan 0.000 0.577 210 R N 0.564 120.657 120.500 -0.679 0.000 2.888 210 R HA 0.238 4.578 4.340 -0.000 0.000 0.264 210 R C -1.037 175.097 176.300 -0.277 0.000 1.045 210 R CA -1.150 54.704 56.100 -0.411 0.000 0.962 210 R CB 0.500 30.533 30.300 -0.445 0.000 1.210 210 R HN -0.030 nan 8.270 nan 0.000 0.479 211 D N 0.771 121.074 120.400 -0.162 0.000 2.563 211 D HA 0.071 4.711 4.640 -0.000 0.000 0.229 211 D C -0.307 175.899 176.300 -0.158 0.000 1.159 211 D CA 0.536 54.464 54.000 -0.120 0.000 0.869 211 D CB 0.372 41.138 40.800 -0.057 0.000 1.203 211 D HN 0.063 nan 8.370 nan 0.000 0.478 212 V N 1.173 121.005 119.914 -0.137 0.000 2.487 212 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 212 V C 0.009 176.016 176.094 -0.144 0.000 1.028 212 V CA -0.517 61.658 62.300 -0.208 0.000 0.860 212 V CB 1.796 33.517 31.823 -0.169 0.000 0.991 212 V HN 0.572 nan 8.190 nan 0.000 0.427 213 S N 4.195 119.773 115.700 -0.205 0.000 2.651 213 S HA 0.802 5.272 4.470 -0.000 0.000 0.279 213 S C -1.184 173.367 174.600 -0.081 0.000 1.148 213 S CA -0.716 57.426 58.200 -0.097 0.000 0.837 213 S CB 2.028 65.198 63.200 -0.050 0.000 1.138 213 S HN 0.522 nan 8.310 nan 0.000 0.478 214 L N 1.886 123.130 121.223 0.036 0.000 2.386 214 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 214 L C -1.516 175.463 176.870 0.181 0.000 0.993 214 L CA -0.750 54.175 54.840 0.142 0.000 0.819 214 L CB 1.812 44.057 42.059 0.309 0.000 1.294 214 L HN 0.504 nan 8.230 nan 0.000 0.414 215 L N 2.295 123.576 121.223 0.097 0.000 2.410 215 L HA 0.503 4.843 4.340 -0.000 0.000 0.270 215 L C -1.091 175.665 176.870 -0.191 0.000 0.983 215 L CA -0.264 54.560 54.840 -0.027 0.000 0.822 215 L CB 1.730 43.785 42.059 -0.008 0.000 1.285 215 L HN 0.495 nan 8.230 nan 0.000 0.409 216 H N 3.906 122.635 119.070 -0.567 0.000 2.541 216 H HA 0.576 5.132 4.556 -0.000 0.000 0.316 216 H C -1.181 173.855 175.328 -0.486 0.000 1.043 216 H CA -0.187 55.367 56.048 -0.823 0.000 1.232 216 H CB 0.944 29.621 29.762 -1.809 0.000 1.406 216 H HN 0.624 nan 8.280 nan 0.000 0.469 217 K N 5.450 125.363 120.400 -0.813 0.000 2.385 217 K HA 0.424 4.744 4.320 -0.000 0.000 0.248 217 K C -2.721 173.514 176.600 -0.609 0.000 0.955 217 K CA -2.450 53.488 56.287 -0.581 0.000 0.816 217 K CB 1.775 34.047 32.500 -0.380 0.000 1.250 217 K HN 0.428 nan 8.250 nan 0.000 0.434 218 P HA -0.005 nan 4.420 nan 0.000 0.271 218 P C 0.194 177.364 177.300 -0.216 0.000 1.233 218 P CA -0.131 62.813 63.100 -0.260 0.000 0.789 218 P CB 0.484 32.087 31.700 -0.163 0.000 0.951 219 T N -2.597 111.869 114.554 -0.147 0.000 2.867 219 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 219 T C 0.672 175.303 174.700 -0.115 0.000 1.057 219 T CA 1.270 63.302 62.100 -0.114 0.000 1.136 219 T CB -0.808 68.017 68.868 -0.071 0.000 0.874 219 T HN 0.318 nan 8.240 nan 0.000 0.466 220 T N 3.402 117.888 114.554 -0.115 0.000 2.853 220 T HA 0.437 4.787 4.350 -0.000 0.000 0.317 220 T C -0.281 174.334 174.700 -0.143 0.000 1.059 220 T CA -0.795 61.228 62.100 -0.128 0.000 0.954 220 T CB 0.672 69.475 68.868 -0.108 0.000 0.994 220 T HN 0.584 nan 8.240 nan 0.000 0.479 221 Q N 2.509 122.208 119.800 -0.168 0.000 2.605 221 Q HA 0.626 4.966 4.340 -0.000 0.000 0.296 221 Q C -0.960 174.931 176.000 -0.183 0.000 1.056 221 Q CA -1.228 54.461 55.803 -0.191 0.000 0.778 221 Q CB 1.494 30.082 28.738 -0.251 0.000 1.497 221 Q HN 0.412 nan 8.270 nan 0.000 0.443 222 I N 2.558 122.994 120.570 -0.222 0.000 2.436 222 I HA -0.001 4.169 4.170 -0.000 0.000 0.289 222 I C 0.678 176.627 176.117 -0.281 0.000 1.083 222 I CA 0.054 61.240 61.300 -0.189 0.000 1.372 222 I CB 0.999 38.853 38.000 -0.243 0.000 1.408 222 I HN 0.831 nan 8.210 nan 0.000 0.516 223 S N 2.840 118.494 115.700 -0.076 0.000 2.502 223 S HA 0.186 4.656 4.470 -0.000 0.000 0.215 223 S C 0.177 174.966 174.600 0.315 0.000 1.009 223 S CA -0.254 57.961 58.200 0.025 0.000 0.908 223 S CB 0.317 63.526 63.200 0.015 0.000 0.801 223 S HN 0.713 nan 8.310 nan 0.000 0.505 224 D N -0.332 120.263 120.400 0.325 0.000 2.720 224 D HA 0.503 5.144 4.640 -0.000 0.000 0.239 224 D C -1.834 174.676 176.300 0.349 0.000 1.218 224 D CA -0.734 53.503 54.000 0.396 0.000 0.748 224 D CB 1.475 42.398 40.800 0.205 0.000 1.387 224 D HN 0.219 nan 8.370 nan 0.000 0.438 225 F N -0.385 119.614 119.950 0.082 0.000 2.665 225 F HA 0.669 5.196 4.527 -0.000 0.000 0.308 225 F C -1.638 174.215 175.800 0.088 0.000 1.112 225 F CA -0.738 57.233 58.000 -0.049 0.000 0.972 225 F CB 1.312 40.340 39.000 0.047 0.000 1.295 225 F HN 0.303 nan 8.300 nan 0.000 0.440 226 H N 1.525 120.589 119.070 -0.010 0.000 2.768 226 H HA 0.783 5.339 4.556 -0.000 0.000 0.371 226 H C -1.425 173.889 175.328 -0.023 0.000 1.151 226 H CA -1.540 54.437 56.048 -0.118 0.000 1.165 226 H CB 2.748 32.463 29.762 -0.078 0.000 1.722 226 H HN 0.651 nan 8.280 nan 0.000 0.543 227 V N 1.328 121.287 119.914 0.075 0.000 2.715 227 V HA 0.808 4.928 4.120 -0.000 0.000 0.310 227 V C -0.711 175.361 176.094 -0.036 0.000 1.054 227 V CA -0.439 61.872 62.300 0.019 0.000 0.928 227 V CB 1.682 33.496 31.823 -0.015 0.000 1.007 227 V HN 0.965 nan 8.190 nan 0.000 0.437 228 A N 2.431 125.211 122.820 -0.067 0.000 2.520 228 A HA 0.841 5.161 4.320 -0.000 0.000 0.298 228 A C -0.486 177.011 177.584 -0.145 0.000 1.051 228 A CA -0.338 51.648 52.037 -0.085 0.000 0.690 228 A CB 2.083 21.057 19.000 -0.044 0.000 1.281 228 A HN 0.927 nan 8.150 nan 0.000 0.402 229 T N 0.025 114.486 114.554 -0.155 0.000 2.812 229 T HA 0.779 5.129 4.350 -0.000 0.000 0.282 229 T C -0.394 174.154 174.700 -0.253 0.000 0.990 229 T CA -0.664 61.279 62.100 -0.261 0.000 0.960 229 T CB 1.153 69.831 68.868 -0.316 0.000 0.948 229 T HN 0.694 nan 8.240 nan 0.000 0.438 230 R N 1.782 122.045 120.500 -0.396 0.000 2.711 230 R HA 0.774 5.114 4.340 -0.000 0.000 0.284 230 R C -1.181 174.751 176.300 -0.613 0.000 0.968 230 R CA -0.730 55.196 56.100 -0.290 0.000 0.924 230 R CB 1.559 31.786 30.300 -0.121 0.000 1.162 230 R HN 0.561 nan 8.270 nan 0.000 0.465 231 F N 0.228 120.184 119.950 0.011 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.416 176.107 175.800 -0.180 0.000 1.067 231 F CA -1.189 56.767 58.000 -0.073 0.000 0.969 231 F CB 0.935 39.828 39.000 -0.178 0.000 1.332 231 F HN 0.510 nan 8.300 nan 0.000 0.490 232 N N -0.025 118.677 118.700 0.003 0.000 2.448 232 N HA 0.088 4.828 4.740 -0.000 0.000 0.274 232 N C 0.586 175.953 175.510 -0.238 0.000 1.239 232 N CA -0.175 52.825 53.050 -0.084 0.000 0.982 232 N CB 0.081 38.541 38.487 -0.045 0.000 1.199 232 N HN 0.705 nan 8.380 nan 0.000 0.576 233 D N -0.624 119.676 120.400 -0.166 0.000 2.170 233 D HA -0.288 4.352 4.640 -0.000 0.000 0.193 233 D C 0.388 176.552 176.300 -0.226 0.000 1.004 233 D CA 2.073 55.970 54.000 -0.171 0.000 0.860 233 D CB -0.511 40.250 40.800 -0.065 0.000 0.931 233 D HN 0.761 nan 8.370 nan 0.000 0.448 234 D N -1.822 118.491 120.400 -0.145 0.000 2.431 234 D HA 0.010 4.650 4.640 -0.000 0.000 0.213 234 D C 0.394 176.799 176.300 0.175 0.000 1.130 234 D CA -0.709 53.310 54.000 0.032 0.000 0.834 234 D CB -1.008 39.838 40.800 0.076 0.000 0.985 234 D HN 0.287 nan 8.370 nan 0.000 0.504 235 F N 0.275 120.285 119.950 0.099 0.000 2.953 235 F HA -0.301 4.226 4.527 -0.000 0.000 0.292 235 F C 1.685 177.570 175.800 0.141 0.000 0.747 235 F CA 0.773 58.855 58.000 0.136 0.000 1.222 235 F CB -2.390 36.596 39.000 -0.023 0.000 1.457 235 F HN 0.198 nan 8.300 nan 0.000 0.383 236 S N -0.728 115.084 115.700 0.186 0.000 2.527 236 S HA 0.161 4.631 4.470 -0.000 0.000 0.222 236 S C 0.656 175.308 174.600 0.086 0.000 0.985 236 S CA 0.528 58.803 58.200 0.124 0.000 0.921 236 S CB 0.406 63.653 63.200 0.077 0.000 0.772 236 S HN 0.526 nan 8.310 nan 0.000 0.529 237 R N -0.153 120.406 120.500 0.098 0.000 2.584 237 R HA 0.687 5.027 4.340 -0.000 0.000 0.276 237 R C -1.604 174.709 176.300 0.022 0.000 1.046 237 R CA -0.104 56.016 56.100 0.032 0.000 0.906 237 R CB 1.801 32.104 30.300 0.004 0.000 1.215 237 R HN 0.264 nan 8.270 nan 0.000 0.449 238 A N 2.467 125.240 122.820 -0.077 0.000 2.479 238 A HA 0.782 5.102 4.320 -0.000 0.000 0.296 238 A C -1.491 176.003 177.584 -0.149 0.000 1.121 238 A CA -0.638 51.275 52.037 -0.207 0.000 0.743 238 A CB 2.192 21.028 19.000 -0.272 0.000 1.323 238 A HN 0.368 nan 8.150 nan 0.000 0.415 239 V N 1.213 121.020 119.914 -0.178 0.000 2.525 239 V HA 0.430 4.550 4.120 -0.000 0.000 0.299 239 V C -0.938 175.106 176.094 -0.083 0.000 1.034 239 V CA -0.366 61.874 62.300 -0.100 0.000 0.863 239 V CB 1.326 33.088 31.823 -0.102 0.000 0.999 239 V HN 0.848 nan 8.190 nan 0.000 0.423 240 L N 4.670 125.879 121.223 -0.023 0.000 2.292 240 L HA 0.659 4.999 4.340 -0.000 0.000 0.284 240 L C -0.093 176.741 176.870 -0.060 0.000 1.065 240 L CA 0.444 55.248 54.840 -0.059 0.000 0.806 240 L CB 1.257 43.303 42.059 -0.021 0.000 1.175 240 L HN 0.846 nan 8.230 nan 0.000 0.431 241 E N 4.736 124.895 120.200 -0.069 0.000 2.218 241 E HA 0.730 5.080 4.350 -0.000 0.000 0.263 241 E C -1.746 174.843 176.600 -0.018 0.000 0.879 241 E CA -0.839 55.536 56.400 -0.042 0.000 0.762 241 E CB 1.548 31.222 29.700 -0.043 0.000 1.166 241 E HN 0.848 nan 8.360 nan 0.000 0.415 242 A N 4.361 127.177 122.820 -0.006 0.000 2.331 242 A HA 0.475 4.795 4.320 -0.000 0.000 0.320 242 A C -0.852 176.735 177.584 0.006 0.000 1.138 242 A CA -0.711 51.345 52.037 0.031 0.000 0.790 242 A CB 1.352 20.383 19.000 0.051 0.000 1.206 242 A HN 0.761 nan 8.150 nan 0.000 0.470 243 E N 2.222 122.427 120.200 0.008 0.000 2.176 243 E HA 0.604 4.954 4.350 -0.000 0.000 0.267 243 E C -1.648 174.906 176.600 -0.078 0.000 0.893 243 E CA -0.518 55.844 56.400 -0.063 0.000 0.761 243 E CB 1.663 31.302 29.700 -0.101 0.000 1.133 243 E HN 0.388 nan 8.360 nan 0.000 0.409 244 V N 4.128 124.010 119.914 -0.053 0.000 2.604 244 V HA 0.374 4.494 4.120 -0.000 0.000 0.305 244 V C -0.523 175.616 176.094 0.074 0.000 1.043 244 V CA -0.787 61.522 62.300 0.015 0.000 0.888 244 V CB 1.682 33.493 31.823 -0.019 0.000 0.995 244 V HN 0.753 nan 8.190 nan 0.000 0.429 245 Q N 4.012 123.873 119.800 0.101 0.000 2.377 245 Q HA 0.842 5.182 4.340 -0.000 0.000 0.271 245 Q C -0.878 175.190 176.000 0.113 0.000 1.077 245 Q CA -0.881 54.995 55.803 0.121 0.000 0.820 245 Q CB 2.850 31.591 28.738 0.006 0.000 1.347 245 Q HN 0.842 nan 8.270 nan 0.000 0.444 246 M N -0.990 118.615 119.600 0.008 0.000 2.662 246 M HA 0.768 5.248 4.480 -0.000 0.000 0.310 246 M C -1.342 174.853 176.300 -0.176 0.000 1.204 246 M CA -0.463 54.743 55.300 -0.156 0.000 0.891 246 M CB 2.070 34.394 32.600 -0.459 0.000 1.732 246 M HN 0.556 nan 8.290 nan 0.000 0.467 247 C N 1.576 120.776 119.300 -0.166 0.000 2.561 247 C HA 1.016 5.476 4.460 -0.000 0.000 0.319 247 C C 0.657 175.551 174.990 -0.161 0.000 1.198 247 C CA 0.927 59.865 59.018 -0.135 0.000 1.665 247 C CB 0.874 28.555 27.740 -0.098 0.000 2.258 247 C HN 1.322 nan 8.230 nan 0.000 0.493 248 G N 3.471 112.190 108.800 -0.136 0.000 2.342 248 G HA2 0.081 4.041 3.960 -0.000 0.000 0.220 248 G HA3 0.081 4.041 3.960 -0.000 0.000 0.220 248 G C -1.172 173.646 174.900 -0.136 0.000 1.243 248 G CA -0.118 44.905 45.100 -0.130 0.000 1.083 248 G HN 0.902 nan 8.290 nan 0.000 0.500 249 E N 0.606 120.730 120.200 -0.128 0.000 2.001 249 E HA 0.623 4.973 4.350 -0.000 0.000 0.279 249 E C 0.144 176.640 176.600 -0.173 0.000 1.045 249 E CA -0.782 55.547 56.400 -0.119 0.000 0.833 249 E CB 1.096 30.753 29.700 -0.071 0.000 1.077 249 E HN 0.663 nan 8.360 nan 0.000 0.397 250 L N 4.428 125.538 121.223 -0.188 0.000 2.418 250 L HA 0.277 4.617 4.340 -0.000 0.000 0.274 250 L C -0.035 176.715 176.870 -0.200 0.000 1.135 250 L CA 0.025 54.723 54.840 -0.235 0.000 0.870 250 L CB 0.207 42.144 42.059 -0.205 0.000 1.154 250 L HN 0.491 nan 8.230 nan 0.000 0.462 251 R N 2.775 123.096 120.500 -0.298 0.000 2.725 251 R HA 0.164 4.504 4.340 -0.000 0.000 0.277 251 R C 0.098 176.164 176.300 -0.390 0.000 0.987 251 R CA -0.657 55.234 56.100 -0.349 0.000 0.901 251 R CB 1.648 31.557 30.300 -0.652 0.000 1.207 251 R HN 0.641 nan 8.270 nan 0.000 0.463 252 D N 1.265 121.552 120.400 -0.188 0.000 2.378 252 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 252 D C 1.021 177.296 176.300 -0.043 0.000 0.980 252 D CA 1.198 55.156 54.000 -0.069 0.000 0.907 252 D CB -0.011 40.803 40.800 0.024 0.000 0.899 252 D HN 0.678 nan 8.370 nan 0.000 0.527 253 Y N -0.150 120.160 120.300 0.016 0.000 2.466 253 Y HA 0.355 4.905 4.550 -0.000 0.000 0.272 253 Y C 1.027 176.932 175.900 0.008 0.000 1.169 253 Y CA -0.875 57.234 58.100 0.015 0.000 1.285 253 Y CB -0.475 37.995 38.460 0.015 0.000 1.078 253 Y HN -0.230 nan 8.280 nan 0.000 0.523 254 L N 2.892 123.924 121.223 -0.317 0.000 2.461 254 L HA 0.282 4.622 4.340 -0.000 0.000 0.272 254 L C 0.256 177.074 176.870 -0.086 0.000 1.197 254 L CA 0.074 54.822 54.840 -0.155 0.000 0.836 254 L CB 0.433 42.430 42.059 -0.103 0.000 1.105 254 L HN 0.236 nan 8.230 nan 0.000 0.477 255 R N 1.931 122.287 120.500 -0.240 0.000 2.799 255 R HA 0.736 5.076 4.340 -0.000 0.000 0.270 255 R C -1.532 174.445 176.300 -0.538 0.000 1.010 255 R CA -0.823 55.020 56.100 -0.428 0.000 0.916 255 R CB 2.303 32.275 30.300 -0.547 0.000 1.228 255 R HN 0.286 nan 8.270 nan 0.000 0.469 256 V N 0.755 120.418 119.914 -0.418 0.000 2.709 256 V HA 0.522 4.642 4.120 -0.000 0.000 0.308 256 V C -0.537 175.503 176.094 -0.090 0.000 1.062 256 V CA -0.571 61.565 62.300 -0.274 0.000 0.901 256 V CB 2.433 34.023 31.823 -0.389 0.000 1.003 256 V HN 0.771 nan 8.190 nan 0.000 0.425 257 T N 3.511 118.098 114.554 0.055 0.000 2.861 257 T HA 0.689 5.039 4.350 -0.000 0.000 0.287 257 T C -0.909 173.801 174.700 0.016 0.000 1.003 257 T CA -0.463 61.683 62.100 0.076 0.000 0.977 257 T CB 1.905 70.875 68.868 0.170 0.000 0.996 257 T HN 0.362 nan 8.240 nan 0.000 0.448 258 V N 3.212 123.121 119.914 -0.010 0.000 2.531 258 V HA 0.704 4.824 4.120 -0.000 0.000 0.301 258 V C -0.424 175.661 176.094 -0.016 0.000 1.034 258 V CA -0.813 61.478 62.300 -0.014 0.000 0.865 258 V CB 1.901 33.706 31.823 -0.029 0.000 0.995 258 V HN 1.069 nan 8.190 nan 0.000 0.424 259 S N 5.096 120.805 115.700 0.016 0.000 2.536 259 S HA 0.864 5.334 4.470 -0.000 0.000 0.287 259 S C -1.091 173.491 174.600 -0.029 0.000 1.101 259 S CA -0.754 57.410 58.200 -0.060 0.000 0.950 259 S CB 2.368 65.563 63.200 -0.009 0.000 1.056 259 S HN 0.537 nan 8.310 nan 0.000 0.481 260 L N 2.080 123.179 121.223 -0.206 0.000 2.356 260 L HA 0.779 5.119 4.340 -0.000 0.000 0.277 260 L C -2.031 174.718 176.870 -0.202 0.000 0.996 260 L CA -0.304 54.511 54.840 -0.041 0.000 0.822 260 L CB 0.841 42.897 42.059 -0.006 0.000 1.256 260 L HN 0.877 nan 8.230 nan 0.000 0.413 261 W N 3.194 124.596 121.300 0.170 0.000 2.736 261 W HA 0.568 5.228 4.660 -0.000 0.000 0.335 261 W C -0.521 176.114 176.519 0.193 0.000 1.059 261 W CA -0.536 56.899 57.345 0.149 0.000 1.226 261 W CB 1.587 31.087 29.460 0.067 0.000 1.416 261 W HN 0.460 nan 8.180 nan 0.000 0.505 262 Q N 2.476 122.495 119.800 0.364 0.000 2.626 262 Q HA 0.490 4.830 4.340 -0.000 0.000 0.239 262 Q C 0.767 176.834 176.000 0.113 0.000 1.101 262 Q CA 0.685 56.548 55.803 0.100 0.000 0.918 262 Q CB 0.199 28.936 28.738 -0.001 0.000 1.151 262 Q HN 0.747 nan 8.270 nan 0.000 0.531 263 G N 2.431 111.298 108.800 0.111 0.000 2.950 263 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.299 263 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.299 263 G C 0.694 175.657 174.900 0.105 0.000 1.310 263 G CA 0.332 45.470 45.100 0.063 0.000 0.994 263 G HN 0.515 nan 8.290 nan 0.000 0.575 264 E N 1.314 121.588 120.200 0.122 0.000 2.307 264 E HA 0.215 4.565 4.350 -0.000 0.000 0.195 264 E C 1.273 178.077 176.600 0.341 0.000 0.975 264 E CA 0.983 57.468 56.400 0.142 0.000 0.878 264 E CB -0.055 29.689 29.700 0.074 0.000 0.845 264 E HN 0.524 nan 8.360 nan 0.000 0.488 265 T N 1.625 116.357 114.554 0.298 0.000 2.869 265 T HA 0.154 4.504 4.350 -0.000 0.000 0.295 265 T C 0.221 175.038 174.700 0.195 0.000 0.987 265 T CA -0.237 62.003 62.100 0.234 0.000 1.109 265 T CB 1.422 70.356 68.868 0.109 0.000 0.932 265 T HN -0.051 nan 8.240 nan 0.000 0.518 266 Q N 2.818 122.522 119.800 -0.160 0.000 2.296 266 Q HA 0.299 4.639 4.340 -0.000 0.000 0.257 266 Q C 0.176 175.941 176.000 -0.391 0.000 0.942 266 Q CA -0.487 54.829 55.803 -0.813 0.000 0.939 266 Q CB 0.917 28.868 28.738 -1.312 0.000 1.198 266 Q HN 0.558 nan 8.270 nan 0.000 0.429 267 V N 2.711 122.432 119.914 -0.322 0.000 2.685 267 V HA 0.298 4.418 4.120 -0.000 0.000 0.244 267 V C 0.415 176.414 176.094 -0.159 0.000 1.054 267 V CA 1.139 63.358 62.300 -0.135 0.000 1.076 267 V CB 0.158 31.998 31.823 0.029 0.000 0.725 267 V HN 0.798 nan 8.190 nan 0.000 0.467 268 A N -1.353 121.332 122.820 -0.225 0.000 2.599 268 A HA 0.751 5.071 4.320 -0.000 0.000 0.294 268 A C -0.828 176.636 177.584 -0.200 0.000 1.055 268 A CA -0.129 51.804 52.037 -0.173 0.000 0.683 268 A CB 1.794 20.728 19.000 -0.110 0.000 1.278 268 A HN 0.008 nan 8.150 nan 0.000 0.412 269 S N -1.175 114.438 115.700 -0.144 0.000 2.556 269 S HA 0.870 5.340 4.470 -0.000 0.000 0.271 269 S C -0.521 174.035 174.600 -0.074 0.000 1.135 269 S CA 0.148 58.278 58.200 -0.116 0.000 0.858 269 S CB 1.948 65.075 63.200 -0.122 0.000 1.114 269 S HN 2.266 nan 8.310 nan 0.000 0.468 270 G N 1.339 110.106 108.800 -0.055 0.000 2.759 270 G HA2 0.590 4.550 3.960 -0.000 0.000 0.297 270 G HA3 0.590 4.550 3.960 -0.000 0.000 0.297 270 G C -1.485 173.397 174.900 -0.031 0.000 1.434 270 G CA -0.349 44.724 45.100 -0.045 0.000 0.980 270 G HN 0.646 nan 8.290 nan 0.000 0.531 271 T N 0.048 114.586 114.554 -0.026 0.000 2.876 271 T HA 0.885 5.235 4.350 -0.000 0.000 0.289 271 T C -0.162 174.507 174.700 -0.051 0.000 1.014 271 T CA 0.126 62.219 62.100 -0.013 0.000 0.986 271 T CB 1.770 70.665 68.868 0.045 0.000 1.021 271 T HN 1.654 nan 8.240 nan 0.000 0.458 272 A N 3.594 126.353 122.820 -0.103 0.000 2.566 272 A HA 0.901 5.221 4.320 -0.000 0.000 0.290 272 A C -3.220 174.231 177.584 -0.222 0.000 1.071 272 A CA -1.460 50.495 52.037 -0.136 0.000 0.658 272 A CB 1.249 20.167 19.000 -0.136 0.000 1.285 272 A HN 0.524 nan 8.150 nan 0.000 0.427 273 P HA 0.631 nan 4.420 nan 0.000 0.287 273 P C -0.711 176.475 177.300 -0.191 0.000 1.279 273 P CA -0.451 62.558 63.100 -0.151 0.000 0.867 273 P CB 0.487 32.161 31.700 -0.043 0.000 1.127 274 F N 0.771 120.672 119.950 -0.082 0.000 2.539 274 F HA 0.406 4.933 4.527 -0.000 0.000 0.340 274 F C 1.586 177.364 175.800 -0.037 0.000 1.185 274 F CA 1.888 59.851 58.000 -0.062 0.000 1.333 274 F CB -0.085 38.870 39.000 -0.074 0.000 1.152 274 F HN 0.600 nan 8.300 nan 0.000 0.602 275 G N 1.341 110.261 108.800 0.200 0.000 3.393 275 G HA2 0.350 4.310 3.960 -0.000 0.000 0.676 275 G HA3 0.350 4.310 3.960 -0.000 0.000 0.676 275 G C -0.434 174.512 174.900 0.076 0.000 1.224 275 G CA -0.793 44.380 45.100 0.121 0.000 1.109 275 G HN 1.052 nan 8.290 nan 0.000 0.519 276 G N 0.624 109.488 108.800 0.107 0.000 2.588 276 G HA2 0.675 4.635 3.960 -0.000 0.000 0.281 276 G HA3 0.675 4.635 3.960 -0.000 0.000 0.281 276 G C 0.163 175.099 174.900 0.059 0.000 1.236 276 G CA -0.395 44.759 45.100 0.090 0.000 0.969 276 G HN 0.843 nan 8.290 nan 0.000 0.504 277 E N -0.942 119.289 120.200 0.052 0.000 2.374 277 E HA 0.311 4.661 4.350 -0.000 0.000 0.260 277 E C -0.272 176.347 176.600 0.032 0.000 1.101 277 E CA -0.482 55.937 56.400 0.032 0.000 0.907 277 E CB 0.819 30.535 29.700 0.027 0.000 1.014 277 E HN 0.218 nan 8.360 nan 0.000 0.427 278 I N 2.476 123.054 120.570 0.013 0.000 2.683 278 I HA -0.080 4.090 4.170 -0.000 0.000 0.286 278 I C 1.221 177.342 176.117 0.007 0.000 1.175 278 I CA 0.608 61.908 61.300 -0.000 0.000 1.429 278 I CB 0.154 38.150 38.000 -0.007 0.000 1.371 278 I HN 0.622 nan 8.210 nan 0.000 0.569 279 I N 1.756 122.322 120.570 -0.006 0.000 3.883 279 I HA 0.315 4.485 4.170 -0.000 0.000 0.305 279 I C -0.258 175.855 176.117 -0.006 0.000 1.247 279 I CA 0.316 61.622 61.300 0.011 0.000 1.350 279 I CB 0.385 38.414 38.000 0.049 0.000 1.194 279 I HN 0.636 nan 8.210 nan 0.000 0.441 280 D N -0.011 120.372 120.400 -0.027 0.000 2.921 280 D HA 0.180 4.820 4.640 -0.000 0.000 0.329 280 D C 0.274 176.557 176.300 -0.029 0.000 1.293 280 D CA -0.455 53.531 54.000 -0.023 0.000 0.964 280 D CB 0.614 41.400 40.800 -0.023 0.000 1.435 280 D HN -0.156 nan 8.370 nan 0.000 0.548 281 E N -0.882 119.303 120.200 -0.024 0.000 2.267 281 E HA -0.051 4.299 4.350 -0.000 0.000 0.197 281 E C 1.451 178.032 176.600 -0.032 0.000 0.998 281 E CA 1.005 57.391 56.400 -0.023 0.000 0.830 281 E CB -0.051 29.639 29.700 -0.018 0.000 0.751 281 E HN 0.246 nan 8.360 nan 0.000 0.491 282 R N -0.498 119.975 120.500 -0.046 0.000 2.300 282 R HA 0.251 4.591 4.340 -0.000 0.000 0.199 282 R C 0.768 177.026 176.300 -0.070 0.000 0.920 282 R CA 0.660 56.727 56.100 -0.056 0.000 1.046 282 R CB 0.798 31.059 30.300 -0.064 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.488 108.268 108.800 -0.072 0.000 2.295 283 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.195 283 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.195 283 G C -0.508 174.331 174.900 -0.101 0.000 1.269 283 G CA -0.651 44.405 45.100 -0.073 0.000 1.170 283 G HN 0.381 nan 8.290 nan 0.000 0.511 284 G N -1.828 106.908 108.800 -0.108 0.000 3.140 284 G HA2 0.650 4.610 3.960 -0.000 0.000 0.271 284 G HA3 0.650 4.610 3.960 -0.000 0.000 0.271 284 G C -1.536 173.239 174.900 -0.210 0.000 1.370 284 G CA -0.804 44.228 45.100 -0.112 0.000 1.014 284 G HN 0.711 nan 8.290 nan 0.000 0.541 285 Y N 0.688 121.000 120.300 0.020 0.000 2.404 285 Y HA 0.417 4.967 4.550 -0.000 0.000 0.344 285 Y C 1.410 177.334 175.900 0.039 0.000 0.995 285 Y CA 0.190 58.306 58.100 0.026 0.000 1.201 285 Y CB 1.863 40.345 38.460 0.036 0.000 1.151 285 Y HN 0.539 nan 8.280 nan 0.000 0.517 286 A N 1.894 124.794 122.820 0.133 0.000 2.016 286 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 286 A C 1.240 178.903 177.584 0.132 0.000 1.162 286 A CA 1.268 53.365 52.037 0.100 0.000 0.662 286 A CB -0.238 18.779 19.000 0.029 0.000 0.812 286 A HN 0.793 nan 8.150 nan 0.000 0.450 287 D N -0.321 120.154 120.400 0.126 0.000 2.561 287 D HA 0.161 4.801 4.640 -0.000 0.000 0.232 287 D C 0.326 176.759 176.300 0.220 0.000 1.198 287 D CA -0.110 53.900 54.000 0.017 0.000 0.826 287 D CB -0.135 40.624 40.800 -0.067 0.000 0.992 287 D HN 0.429 nan 8.370 nan 0.000 0.490 288 R N -1.042 119.696 120.500 0.396 0.000 2.781 288 R HA 0.754 5.094 4.340 -0.000 0.000 0.269 288 R C -1.601 174.824 176.300 0.209 0.000 1.025 288 R CA -1.227 55.063 56.100 0.318 0.000 0.914 288 R CB 2.740 33.087 30.300 0.078 0.000 1.236 288 R HN -0.015 nan 8.270 nan 0.000 0.465 289 V N 0.162 120.074 119.914 -0.003 0.000 3.000 289 V HA 0.498 4.618 4.120 -0.000 0.000 0.300 289 V C -1.598 174.426 176.094 -0.118 0.000 1.251 289 V CA -0.245 61.976 62.300 -0.132 0.000 0.972 289 V CB 2.682 34.268 31.823 -0.396 0.000 1.065 289 V HN 0.831 nan 8.190 nan 0.000 0.431 290 T N 7.451 121.955 114.554 -0.084 0.000 2.792 290 T HA 0.727 5.077 4.350 -0.000 0.000 0.280 290 T C -0.713 173.946 174.700 -0.069 0.000 0.990 290 T CA -0.208 61.853 62.100 -0.065 0.000 0.960 290 T CB 1.168 70.016 68.868 -0.034 0.000 0.939 290 T HN 0.534 nan 8.240 nan 0.000 0.439 291 L N 3.059 124.243 121.223 -0.066 0.000 2.330 291 L HA 0.640 4.980 4.340 -0.000 0.000 0.271 291 L C 0.408 177.251 176.870 -0.046 0.000 1.013 291 L CA -0.736 54.067 54.840 -0.061 0.000 0.816 291 L CB 1.441 43.459 42.059 -0.068 0.000 1.287 291 L HN 0.372 nan 8.230 nan 0.000 0.435 292 R N 3.226 123.699 120.500 -0.045 0.000 2.435 292 R HA 0.608 4.948 4.340 -0.000 0.000 0.308 292 R C -1.530 174.744 176.300 -0.044 0.000 0.975 292 R CA -0.606 55.468 56.100 -0.043 0.000 0.867 292 R CB 1.326 31.602 30.300 -0.041 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.829 124.027 121.223 -0.041 0.000 2.307 293 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 293 L C -0.025 176.819 176.870 -0.043 0.000 1.023 293 L CA -1.086 53.728 54.840 -0.043 0.000 0.810 293 L CB 1.331 43.365 42.059 -0.041 0.000 1.231 293 L HN 0.425 nan 8.230 nan 0.000 0.423 294 N N 2.354 121.023 118.700 -0.053 0.000 2.479 294 N HA 0.444 5.184 4.740 -0.000 0.000 0.285 294 N C -0.863 174.600 175.510 -0.078 0.000 1.075 294 N CA -0.308 52.705 53.050 -0.061 0.000 0.967 294 N CB 2.767 41.220 38.487 -0.056 0.000 1.137 294 N HN 0.221 nan 8.380 nan 0.000 0.472 295 V N 1.860 121.709 119.914 -0.107 0.000 2.525 295 V HA 0.218 4.338 4.120 -0.000 0.000 0.299 295 V C -0.099 175.908 176.094 -0.145 0.000 1.034 295 V CA -0.843 61.359 62.300 -0.163 0.000 0.863 295 V CB 2.102 33.732 31.823 -0.323 0.000 0.999 295 V HN 0.510 nan 8.190 nan 0.000 0.423 296 E N 3.672 123.812 120.200 -0.099 0.000 2.231 296 E HA 0.332 4.682 4.350 -0.000 0.000 0.277 296 E C -0.153 176.416 176.600 -0.052 0.000 0.999 296 E CA -0.498 55.866 56.400 -0.060 0.000 0.827 296 E CB 0.845 30.524 29.700 -0.034 0.000 1.101 296 E HN 0.669 nan 8.360 nan 0.000 0.393 297 N N 1.666 120.355 118.700 -0.018 0.000 2.688 297 N HA -0.115 4.625 4.740 -0.000 0.000 0.258 297 N C -2.340 173.163 175.510 -0.011 0.000 1.016 297 N CA 0.375 53.431 53.050 0.009 0.000 0.747 297 N CB -1.172 37.325 38.487 0.018 0.000 0.895 297 N HN 0.369 nan 8.380 nan 0.000 0.543 298 P HA 0.096 nan 4.420 nan 0.000 0.270 298 P C -0.015 177.299 177.300 0.024 0.000 1.223 298 P CA 0.287 63.270 63.100 -0.194 0.000 0.785 298 P CB 0.819 32.151 31.700 -0.614 0.000 0.923 299 K N 1.540 122.046 120.400 0.176 0.000 2.234 299 K HA 0.378 4.698 4.320 -0.000 0.000 0.277 299 K C -0.068 176.698 176.600 0.277 0.000 1.038 299 K CA -0.505 55.893 56.287 0.185 0.000 0.888 299 K CB 0.431 33.016 32.500 0.141 0.000 1.091 299 K HN 0.386 nan 8.250 nan 0.000 0.467 300 L N 2.573 123.884 121.223 0.148 0.000 2.395 300 L HA 0.296 4.636 4.340 -0.000 0.000 0.269 300 L C -0.076 176.873 176.870 0.131 0.000 1.133 300 L CA -0.690 54.238 54.840 0.146 0.000 0.812 300 L CB 0.399 42.390 42.059 -0.115 0.000 1.125 300 L HN 0.598 nan 8.230 nan 0.000 0.452 301 W N 3.191 124.516 121.300 0.041 0.000 2.376 301 W HA 0.477 5.137 4.660 -0.000 0.000 0.322 301 W C 0.087 176.543 176.519 -0.105 0.000 1.160 301 W CA 0.113 57.461 57.345 0.005 0.000 1.218 301 W CB 1.357 30.865 29.460 0.081 0.000 1.205 301 W HN 0.617 nan 8.180 nan 0.000 0.559 302 S N 2.875 117.980 115.700 -0.992 0.000 2.615 302 S HA 0.633 5.103 4.470 -0.000 0.000 0.269 302 S C -0.005 173.829 174.600 -1.277 0.000 1.161 302 S CA -0.336 57.363 58.200 -0.835 0.000 0.817 302 S CB 1.091 63.998 63.200 -0.489 0.000 1.131 302 S HN 1.036 nan 8.310 nan 0.000 0.467 303 A N 0.394 122.646 122.820 -0.946 0.000 2.066 303 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 303 A C 1.701 178.970 177.584 -0.526 0.000 1.157 303 A CA 1.245 52.719 52.037 -0.937 0.000 0.670 303 A CB -0.850 17.472 19.000 -1.130 0.000 0.804 303 A HN 0.869 nan 8.150 nan 0.000 0.453 304 E N -0.776 119.241 120.200 -0.303 0.000 2.112 304 E HA 0.085 4.435 4.350 -0.000 0.000 0.190 304 E C -0.288 176.178 176.600 -0.223 0.000 0.979 304 E CA 0.680 56.969 56.400 -0.185 0.000 0.814 304 E CB 0.075 29.794 29.700 0.031 0.000 0.762 304 E HN 0.591 nan 8.360 nan 0.000 0.460 305 I N 1.414 121.806 120.570 -0.298 0.000 2.576 305 I HA 0.146 4.316 4.170 -0.000 0.000 0.279 305 I C -2.601 173.277 176.117 -0.398 0.000 1.114 305 I CA -1.865 59.283 61.300 -0.254 0.000 1.076 305 I CB 2.203 40.104 38.000 -0.165 0.000 1.212 305 I HN -0.235 nan 8.210 nan 0.000 0.472 306 P HA 0.081 nan 4.420 nan 0.000 0.226 306 P C -0.582 176.705 177.300 -0.022 0.000 1.783 306 P CA -0.160 62.646 63.100 -0.491 0.000 0.980 306 P CB -0.353 31.238 31.700 -0.180 0.000 1.967 307 N N 1.876 120.586 118.700 0.018 0.000 2.468 307 N HA 0.120 4.860 4.740 -0.000 0.000 0.265 307 N C 0.134 175.869 175.510 0.376 0.000 1.199 307 N CA 0.358 53.496 53.050 0.147 0.000 0.928 307 N CB 0.843 39.402 38.487 0.121 0.000 1.059 307 N HN 0.273 nan 8.380 nan 0.000 0.467 308 L N 2.238 123.602 121.223 0.235 0.000 2.323 308 L HA 0.525 4.865 4.340 -0.000 0.000 0.265 308 L C -0.803 176.155 176.870 0.147 0.000 1.012 308 L CA -0.890 54.116 54.840 0.278 0.000 0.820 308 L CB 1.154 43.339 42.059 0.211 0.000 1.334 308 L HN 0.390 nan 8.230 nan 0.000 0.427 309 Y N -0.077 120.349 120.300 0.211 0.000 2.602 309 Y HA 0.576 5.126 4.550 -0.000 0.000 0.342 309 Y C -0.324 175.684 175.900 0.179 0.000 1.029 309 Y CA -0.827 57.404 58.100 0.219 0.000 1.080 309 Y CB 2.053 40.692 38.460 0.298 0.000 1.284 309 Y HN 0.383 nan 8.280 nan 0.000 0.485 310 R N 1.188 121.924 120.500 0.394 0.000 2.445 310 R HA 0.860 5.200 4.340 -0.000 0.000 0.308 310 R C -1.515 174.989 176.300 0.340 0.000 0.961 310 R CA -0.618 55.652 56.100 0.283 0.000 0.862 310 R CB 1.043 31.427 30.300 0.141 0.000 1.144 310 R HN 0.793 nan 8.270 nan 0.000 0.447 311 A N 3.757 126.717 122.820 0.232 0.000 2.343 311 A HA 0.613 4.933 4.320 -0.000 0.000 0.316 311 A C -1.188 176.479 177.584 0.138 0.000 1.104 311 A CA -0.645 51.519 52.037 0.212 0.000 0.768 311 A CB 1.593 20.689 19.000 0.159 0.000 1.213 311 A HN 0.459 nan 8.150 nan 0.000 0.456 312 V N 2.385 122.388 119.914 0.149 0.000 2.540 312 V HA 0.525 4.645 4.120 -0.000 0.000 0.302 312 V C -0.447 175.644 176.094 -0.005 0.000 1.035 312 V CA -0.639 61.690 62.300 0.049 0.000 0.873 312 V CB 1.580 33.449 31.823 0.076 0.000 0.992 312 V HN 0.620 nan 8.190 nan 0.000 0.428 313 V N 4.725 124.576 119.914 -0.106 0.000 2.350 313 V HA 0.465 4.585 4.120 -0.000 0.000 0.285 313 V C -0.173 175.874 176.094 -0.079 0.000 1.014 313 V CA -0.545 61.667 62.300 -0.147 0.000 0.831 313 V CB 1.331 32.929 31.823 -0.374 0.000 1.000 313 V HN 1.028 nan 8.190 nan 0.000 0.433 314 E N 5.013 125.213 120.200 -0.001 0.000 2.176 314 E HA 0.563 4.913 4.350 -0.000 0.000 0.267 314 E C -1.119 175.564 176.600 0.138 0.000 0.893 314 E CA -1.064 55.381 56.400 0.074 0.000 0.761 314 E CB 2.811 32.573 29.700 0.104 0.000 1.133 314 E HN 0.417 nan 8.360 nan 0.000 0.409 315 L N 5.304 126.581 121.223 0.091 0.000 2.261 315 L HA 0.270 4.610 4.340 -0.000 0.000 0.289 315 L C -0.599 176.347 176.870 0.126 0.000 1.059 315 L CA 0.153 55.030 54.840 0.061 0.000 0.816 315 L CB -0.127 41.949 42.059 0.028 0.000 1.191 315 L HN 0.686 nan 8.230 nan 0.000 0.431 316 H N 1.242 120.339 119.070 0.045 0.000 2.942 316 H HA 0.615 5.171 4.556 -0.000 0.000 0.316 316 H C -1.060 174.322 175.328 0.090 0.000 1.323 316 H CA -0.358 55.724 56.048 0.057 0.000 1.144 316 H CB 1.032 30.818 29.762 0.041 0.000 1.866 316 H HN 0.487 nan 8.280 nan 0.000 0.545 317 T N -2.620 112.092 114.554 0.262 0.000 2.927 317 T HA 0.528 4.878 4.350 -0.000 0.000 0.281 317 T C 1.478 176.358 174.700 0.299 0.000 0.998 317 T CA -0.227 62.038 62.100 0.274 0.000 1.019 317 T CB 1.462 70.525 68.868 0.325 0.000 1.061 317 T HN 0.774 nan 8.240 nan 0.000 0.518 318 A N 1.194 124.161 122.820 0.246 0.000 1.978 318 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 318 A C 2.047 179.729 177.584 0.163 0.000 1.170 318 A CA 1.831 53.981 52.037 0.189 0.000 0.636 318 A CB -1.071 18.024 19.000 0.159 0.000 0.810 318 A HN 0.998 nan 8.150 nan 0.000 0.448 319 D N -1.901 118.580 120.400 0.134 0.000 2.178 319 D HA 0.067 4.707 4.640 -0.000 0.000 0.201 319 D C 1.330 177.676 176.300 0.077 0.000 0.980 319 D CA 1.391 55.438 54.000 0.079 0.000 0.842 319 D CB -0.316 40.508 40.800 0.039 0.000 0.948 319 D HN 0.843 nan 8.370 nan 0.000 0.472 320 G N -0.074 108.799 108.800 0.121 0.000 2.227 320 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.168 320 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.168 320 G C 0.244 175.162 174.900 0.030 0.000 1.006 320 G CA 0.036 45.159 45.100 0.039 0.000 0.684 320 G HN 0.328 nan 8.290 nan 0.000 0.489 321 T N 2.043 116.652 114.554 0.092 0.000 2.769 321 T HA 0.427 4.777 4.350 -0.000 0.000 0.293 321 T C 0.589 175.364 174.700 0.125 0.000 0.931 321 T CA -0.005 62.145 62.100 0.083 0.000 1.139 321 T CB 1.094 70.007 68.868 0.076 0.000 0.881 321 T HN 0.399 nan 8.240 nan 0.000 0.532 322 L N 5.022 126.296 121.223 0.084 0.000 2.360 322 L HA 0.204 4.544 4.340 -0.000 0.000 0.276 322 L C 0.696 177.623 176.870 0.095 0.000 1.121 322 L CA -0.353 54.550 54.840 0.104 0.000 0.845 322 L CB 0.438 42.531 42.059 0.056 0.000 1.143 322 L HN 0.641 nan 8.230 nan 0.000 0.452 323 I N 3.494 124.125 120.570 0.102 0.000 2.339 323 I HA 0.027 4.197 4.170 -0.000 0.000 0.245 323 I C 0.611 176.742 176.117 0.023 0.000 1.096 323 I CA 0.852 62.185 61.300 0.055 0.000 1.408 323 I CB 0.009 38.032 38.000 0.039 0.000 1.092 323 I HN 0.751 nan 8.210 nan 0.000 0.423 324 E N -0.414 119.801 120.200 0.026 0.000 2.409 324 E HA 0.708 5.058 4.350 -0.000 0.000 0.280 324 E C -1.627 174.994 176.600 0.034 0.000 1.079 324 E CA -1.116 55.292 56.400 0.013 0.000 0.840 324 E CB 1.367 31.032 29.700 -0.059 0.000 1.309 324 E HN -0.048 nan 8.360 nan 0.000 0.447 325 A N 1.328 124.196 122.820 0.080 0.000 2.475 325 A HA 0.724 5.044 4.320 -0.000 0.000 0.301 325 A C -1.123 176.581 177.584 0.199 0.000 1.059 325 A CA -0.703 51.393 52.037 0.098 0.000 0.710 325 A CB 1.810 20.866 19.000 0.093 0.000 1.288 325 A HN 0.530 nan 8.150 nan 0.000 0.408 326 E N -0.380 119.872 120.200 0.088 0.000 2.392 326 E HA 0.792 5.142 4.350 -0.000 0.000 0.269 326 E C -0.584 176.052 176.600 0.060 0.000 0.924 326 E CA -0.610 55.902 56.400 0.187 0.000 0.784 326 E CB 2.500 32.221 29.700 0.035 0.000 1.292 326 E HN 1.123 nan 8.360 nan 0.000 0.447 327 A N 0.089 123.066 122.820 0.261 0.000 2.588 327 A HA 0.843 5.163 4.320 -0.000 0.000 0.290 327 A C -1.130 176.641 177.584 0.312 0.000 1.136 327 A CA -0.379 51.738 52.037 0.134 0.000 0.681 327 A CB 1.097 20.065 19.000 -0.054 0.000 1.282 327 A HN 0.921 nan 8.150 nan 0.000 0.421 328 C N -0.877 118.567 119.300 0.240 0.000 3.292 328 C HA 0.740 5.200 4.460 -0.000 0.000 0.338 328 C C -1.669 173.412 174.990 0.151 0.000 1.323 328 C CA -1.011 58.142 59.018 0.225 0.000 1.232 328 C CB 0.943 28.834 27.740 0.251 0.000 1.517 328 C HN 0.808 nan 8.230 nan 0.000 0.470 329 D N 1.060 121.526 120.400 0.109 0.000 2.256 329 D HA 0.567 5.207 4.640 -0.000 0.000 0.250 329 D C -0.423 175.914 176.300 0.062 0.000 1.093 329 D CA 0.121 54.185 54.000 0.107 0.000 0.882 329 D CB 2.025 42.888 40.800 0.104 0.000 1.185 329 D HN 0.536 nan 8.370 nan 0.000 0.437 330 V N 1.061 121.038 119.914 0.105 0.000 2.604 330 V HA 0.671 4.791 4.120 -0.000 0.000 0.305 330 V C 0.517 176.643 176.094 0.054 0.000 1.043 330 V CA -0.746 61.556 62.300 0.003 0.000 0.888 330 V CB 2.115 33.919 31.823 -0.031 0.000 0.995 330 V HN 0.633 nan 8.190 nan 0.000 0.429 331 G N 2.838 111.569 108.800 -0.115 0.000 2.478 331 G HA2 0.628 4.588 3.960 -0.000 0.000 0.317 331 G HA3 0.628 4.588 3.960 -0.000 0.000 0.317 331 G C -1.174 173.731 174.900 0.007 0.000 1.259 331 G CA -0.407 44.706 45.100 0.022 0.000 0.933 331 G HN 0.422 nan 8.290 nan 0.000 0.478 332 F N 2.230 122.343 119.950 0.271 0.000 2.404 332 F HA 0.507 5.034 4.527 -0.000 0.000 0.359 332 F C 1.007 177.034 175.800 0.378 0.000 1.134 332 F CA -0.232 57.977 58.000 0.348 0.000 1.160 332 F CB 0.946 40.170 39.000 0.373 0.000 1.186 332 F HN 0.478 nan 8.300 nan 0.000 0.526 333 R N 1.220 121.987 120.500 0.445 0.000 2.710 333 R HA 0.552 4.892 4.340 -0.000 0.000 0.270 333 R C -1.604 174.819 176.300 0.205 0.000 1.021 333 R CA -1.142 55.079 56.100 0.201 0.000 0.889 333 R CB 1.797 32.234 30.300 0.229 0.000 1.243 333 R HN 0.432 nan 8.270 nan 0.000 0.464 334 E N 1.726 121.943 120.200 0.029 0.000 2.199 334 E HA 0.420 4.770 4.350 -0.000 0.000 0.265 334 E C -1.342 175.305 176.600 0.079 0.000 0.882 334 E CA -0.938 55.545 56.400 0.139 0.000 0.759 334 E CB 2.150 31.969 29.700 0.199 0.000 1.148 334 E HN 0.415 nan 8.360 nan 0.000 0.412 335 V N 5.586 125.549 119.914 0.081 0.000 2.384 335 V HA 0.578 4.698 4.120 -0.000 0.000 0.287 335 V C -0.147 175.977 176.094 0.049 0.000 1.020 335 V CA -0.545 61.779 62.300 0.040 0.000 0.850 335 V CB 1.221 33.050 31.823 0.010 0.000 0.987 335 V HN 0.726 nan 8.190 nan 0.000 0.436 336 R N 4.338 124.864 120.500 0.044 0.000 2.710 336 R HA 0.707 5.047 4.340 -0.000 0.000 0.270 336 R C -2.013 174.307 176.300 0.033 0.000 1.021 336 R CA -0.938 55.190 56.100 0.047 0.000 0.889 336 R CB 1.856 32.196 30.300 0.067 0.000 1.243 336 R HN 0.501 nan 8.270 nan 0.000 0.464 337 I N 1.502 122.092 120.570 0.033 0.000 2.339 337 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 337 I C -0.641 175.493 176.117 0.029 0.000 0.994 337 I CA -0.380 60.935 61.300 0.025 0.000 1.191 337 I CB 1.734 39.750 38.000 0.027 0.000 1.343 337 I HN 0.716 nan 8.210 nan 0.000 0.458 338 E N 6.511 126.725 120.200 0.024 0.000 2.278 338 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 338 E C -0.311 176.299 176.600 0.018 0.000 0.890 338 E CA -0.566 55.850 56.400 0.026 0.000 0.770 338 E CB 1.036 30.756 29.700 0.033 0.000 1.212 338 E HN 0.536 nan 8.360 nan 0.000 0.415 339 N N 3.365 122.075 118.700 0.017 0.000 2.735 339 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 339 N C 0.479 175.994 175.510 0.007 0.000 1.083 339 N CA 2.135 55.193 53.050 0.012 0.000 0.703 339 N CB -1.241 37.253 38.487 0.011 0.000 1.005 339 N HN 1.059 nan 8.380 nan 0.000 0.550 340 G N -2.245 106.559 108.800 0.007 0.000 2.176 340 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.253 340 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.253 340 G C -0.071 174.823 174.900 -0.009 0.000 0.979 340 G CA 0.520 45.620 45.100 0.000 0.000 0.641 340 G HN 0.478 nan 8.290 nan 0.000 0.530 341 L N -0.053 121.166 121.223 -0.007 0.000 2.354 341 L HA 0.750 5.090 4.340 -0.000 0.000 0.269 341 L C -0.038 176.821 176.870 -0.018 0.000 1.005 341 L CA -1.331 53.498 54.840 -0.019 0.000 0.819 341 L CB 1.949 43.997 42.059 -0.019 0.000 1.311 341 L HN 0.104 nan 8.230 nan 0.000 0.423 342 L N 3.684 124.885 121.223 -0.036 0.000 2.265 342 L HA 0.505 4.845 4.340 -0.000 0.000 0.288 342 L C -0.948 175.899 176.870 -0.039 0.000 1.058 342 L CA 0.336 55.154 54.840 -0.036 0.000 0.809 342 L CB 0.477 42.502 42.059 -0.057 0.000 1.179 342 L HN 0.389 nan 8.230 nan 0.000 0.429 343 L N 5.663 126.877 121.223 -0.015 0.000 2.342 343 L HA 0.587 4.927 4.340 -0.000 0.000 0.271 343 L C -0.908 175.963 176.870 0.002 0.000 1.008 343 L CA -0.860 53.979 54.840 -0.002 0.000 0.818 343 L CB 2.019 44.098 42.059 0.034 0.000 1.296 343 L HN 0.560 nan 8.230 nan 0.000 0.427 344 L N 2.975 124.210 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 344 L C -0.277 176.617 176.870 0.041 0.000 0.987 344 L CA -0.091 54.767 54.840 0.030 0.000 0.828 344 L CB 1.032 43.113 42.059 0.037 0.000 1.249 344 L HN 0.614 nan 8.230 nan 0.000 0.409 345 N N 4.083 122.699 118.700 -0.140 0.000 2.721 345 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 345 N C 0.879 176.162 175.510 -0.379 0.000 1.072 345 N CA 1.390 54.105 53.050 -0.559 0.000 0.710 345 N CB -1.223 36.814 38.487 -0.750 0.000 0.993 345 N HN 1.185 nan 8.380 nan 0.000 0.547 346 G N -1.953 106.845 108.800 -0.004 0.000 2.217 346 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.246 346 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.246 346 G C -0.091 174.857 174.900 0.080 0.000 0.990 346 G CA 0.783 45.962 45.100 0.132 0.000 0.627 346 G HN 0.464 nan 8.290 nan 0.000 0.522 347 K N 1.004 121.441 120.400 0.061 0.000 2.203 347 K HA 0.549 4.869 4.320 -0.000 0.000 0.251 347 K C -3.032 173.554 176.600 -0.024 0.000 0.944 347 K CA -2.089 54.192 56.287 -0.009 0.000 0.829 347 K CB 2.679 35.105 32.500 -0.124 0.000 1.125 347 K HN 0.032 nan 8.250 nan 0.000 0.430 348 P HA 0.224 nan 4.420 nan 0.000 0.282 348 P C -0.179 177.067 177.300 -0.089 0.000 1.262 348 P CA -0.212 62.851 63.100 -0.062 0.000 0.773 348 P CB 0.517 32.181 31.700 -0.060 0.000 0.879 349 L N 3.195 124.358 121.223 -0.100 0.000 2.468 349 L HA 0.388 4.728 4.340 -0.000 0.000 0.254 349 L C 0.509 177.304 176.870 -0.125 0.000 1.171 349 L CA -0.680 54.090 54.840 -0.117 0.000 0.809 349 L CB 0.328 42.280 42.059 -0.179 0.000 1.155 349 L HN 0.235 nan 8.230 nan 0.000 0.473 350 L N 2.488 123.650 121.223 -0.101 0.000 2.471 350 L HA 0.424 4.764 4.340 -0.000 0.000 0.263 350 L C -0.693 176.128 176.870 -0.082 0.000 0.985 350 L CA -0.134 54.633 54.840 -0.121 0.000 0.868 350 L CB 0.994 43.012 42.059 -0.069 0.000 1.203 350 L HN 0.229 nan 8.230 nan 0.000 0.429 351 I N 4.682 125.138 120.570 -0.189 0.000 2.379 351 I HA 0.235 4.405 4.170 -0.000 0.000 0.290 351 I C 0.434 176.495 176.117 -0.093 0.000 1.063 351 I CA -0.028 61.169 61.300 -0.171 0.000 1.351 351 I CB 0.638 38.418 38.000 -0.367 0.000 1.410 351 I HN 0.579 nan 8.210 nan 0.000 0.505 352 R N 4.745 125.266 120.500 0.035 0.000 3.070 352 R HA 0.451 4.791 4.340 -0.000 0.000 0.252 352 R C 0.503 176.887 176.300 0.141 0.000 1.370 352 R CA -0.239 55.912 56.100 0.085 0.000 1.482 352 R CB 0.850 31.048 30.300 -0.170 0.000 1.220 352 R HN 0.782 nan 8.270 nan 0.000 0.622 353 G N 0.059 108.900 108.800 0.069 0.000 2.537 353 G HA2 0.608 4.568 3.960 -0.000 0.000 0.323 353 G HA3 0.608 4.568 3.960 -0.000 0.000 0.323 353 G C -1.341 173.847 174.900 0.480 0.000 1.207 353 G CA -0.499 44.664 45.100 0.104 0.000 0.976 353 G HN 0.241 nan 8.290 nan 0.000 0.487 354 V N 0.029 120.222 119.914 0.465 0.000 2.971 354 V HA 0.481 4.601 4.120 -0.000 0.000 0.309 354 V C -1.144 175.089 176.094 0.232 0.000 1.130 354 V CA -1.204 61.259 62.300 0.271 0.000 0.964 354 V CB 2.211 33.918 31.823 -0.194 0.000 1.029 354 V HN 0.761 nan 8.190 nan 0.000 0.427 355 N N 4.373 123.140 118.700 0.112 0.000 2.499 355 N HA 0.474 5.214 4.740 -0.000 0.000 0.281 355 N C -0.795 174.529 175.510 -0.311 0.000 1.098 355 N CA -0.361 52.631 53.050 -0.096 0.000 0.979 355 N CB 1.661 40.101 38.487 -0.077 0.000 1.121 355 N HN 0.633 nan 8.380 nan 0.000 0.466 356 R N 2.024 122.310 120.500 -0.357 0.000 2.514 356 R HA 0.236 4.576 4.340 -0.000 0.000 0.296 356 R C -0.990 175.081 176.300 -0.380 0.000 1.012 356 R CA -0.549 55.351 56.100 -0.333 0.000 0.897 356 R CB 0.963 31.069 30.300 -0.324 0.000 1.184 356 R HN 0.588 nan 8.270 nan 0.000 0.440 357 H N 2.048 120.970 119.070 -0.246 0.000 2.508 357 H HA 0.142 4.698 4.556 -0.000 0.000 0.358 357 H C -0.507 174.810 175.328 -0.019 0.000 1.212 357 H CA -0.086 55.901 56.048 -0.100 0.000 1.356 357 H CB 1.518 31.274 29.762 -0.011 0.000 1.525 357 H HN 0.558 nan 8.280 nan 0.000 0.578 358 E N 1.593 121.981 120.200 0.312 0.000 1.941 358 E HA 0.104 4.454 4.350 -0.000 0.000 0.275 358 E C -0.776 175.962 176.600 0.229 0.000 1.113 358 E CA 0.010 56.513 56.400 0.170 0.000 0.878 358 E CB 0.165 29.969 29.700 0.173 0.000 1.070 358 E HN 0.382 nan 8.360 nan 0.000 0.399 359 H N 1.519 120.633 119.070 0.072 0.000 2.865 359 H HA 0.255 4.811 4.556 -0.000 0.000 0.362 359 H C -1.624 173.736 175.328 0.053 0.000 1.114 359 H CA -0.682 55.403 56.048 0.063 0.000 1.208 359 H CB 1.087 30.875 29.762 0.043 0.000 1.727 359 H HN 0.366 nan 8.280 nan 0.000 0.534 360 H N 6.276 124.995 119.070 -0.585 0.000 2.744 360 H HA 0.195 4.751 4.556 -0.000 0.000 0.339 360 H C -2.193 172.730 175.328 -0.675 0.000 1.004 360 H CA -2.395 53.386 56.048 -0.446 0.000 1.257 360 H CB 2.501 32.134 29.762 -0.214 0.000 1.552 360 H HN 0.561 nan 8.280 nan 0.000 0.522 361 P HA -0.135 nan 4.420 nan 0.000 0.217 361 P C 1.374 178.562 177.300 -0.187 0.000 1.148 361 P CA 0.925 63.861 63.100 -0.272 0.000 0.828 361 P CB 0.827 32.407 31.700 -0.198 0.000 0.783 362 L N -1.871 119.336 121.223 -0.027 0.000 2.269 362 L HA 0.046 4.386 4.340 -0.000 0.000 0.200 362 L C 2.388 179.112 176.870 -0.242 0.000 1.069 362 L CA 0.903 55.645 54.840 -0.163 0.000 0.804 362 L CB -0.694 41.160 42.059 -0.341 0.000 0.987 362 L HN 0.010 nan 8.230 nan 0.000 0.468 363 H N -0.696 118.315 119.070 -0.098 0.000 2.539 363 H HA 0.207 4.763 4.556 -0.000 0.000 0.267 363 H C 1.391 176.598 175.328 -0.201 0.000 0.982 363 H CA 0.134 56.042 56.048 -0.234 0.000 1.146 363 H CB 0.315 29.838 29.762 -0.399 0.000 1.382 363 H HN 0.447 nan 8.280 nan 0.000 0.577 364 G N 1.487 110.193 108.800 -0.157 0.000 2.543 364 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.286 364 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.286 364 G C 0.600 175.403 174.900 -0.162 0.000 1.153 364 G CA 0.306 45.259 45.100 -0.244 0.000 0.968 364 G HN 0.463 nan 8.290 nan 0.000 0.544 365 Q N 0.049 119.776 119.800 -0.122 0.000 2.280 365 Q HA 0.451 4.791 4.340 -0.000 0.000 0.202 365 Q C 0.454 176.503 176.000 0.082 0.000 0.903 365 Q CA -0.058 55.708 55.803 -0.061 0.000 0.948 365 Q CB 0.867 29.460 28.738 -0.241 0.000 1.058 365 Q HN 0.383 nan 8.270 nan 0.000 0.493 366 V N 1.853 121.813 119.914 0.077 0.000 2.498 366 V HA 0.188 4.308 4.120 -0.000 0.000 0.279 366 V C 0.162 176.299 176.094 0.072 0.000 1.048 366 V CA -0.024 62.340 62.300 0.107 0.000 0.967 366 V CB 1.020 32.850 31.823 0.011 0.000 0.988 366 V HN 0.315 nan 8.190 nan 0.000 0.473 367 M N 4.363 123.998 119.600 0.057 0.000 2.598 367 M HA 0.569 5.049 4.480 -0.000 0.000 0.317 367 M C -0.598 175.636 176.300 -0.110 0.000 1.201 367 M CA -0.743 54.546 55.300 -0.019 0.000 0.971 367 M CB 1.684 34.236 32.600 -0.080 0.000 1.657 367 M HN 0.967 nan 8.290 nan 0.000 0.470 368 D N -1.895 118.456 120.400 -0.082 0.000 2.602 368 D HA 0.223 4.863 4.640 -0.000 0.000 0.236 368 D C 0.286 176.573 176.300 -0.021 0.000 1.209 368 D CA -0.649 53.308 54.000 -0.071 0.000 0.831 368 D CB 1.232 42.023 40.800 -0.016 0.000 1.478 368 D HN 0.687 nan 8.370 nan 0.000 0.438 369 E N -0.010 120.192 120.200 0.003 0.000 2.086 369 E HA -0.370 3.980 4.350 -0.000 0.000 0.200 369 E C 1.546 178.200 176.600 0.091 0.000 1.012 369 E CA 1.572 58.008 56.400 0.061 0.000 0.812 369 E CB 0.082 29.831 29.700 0.082 0.000 0.743 369 E HN 0.567 nan 8.360 nan 0.000 0.453 370 Q N -0.354 119.498 119.800 0.087 0.000 2.061 370 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 370 Q C 2.221 178.289 176.000 0.113 0.000 0.984 370 Q CA 2.291 58.153 55.803 0.099 0.000 0.846 370 Q CB -0.180 28.616 28.738 0.097 0.000 0.902 370 Q HN 0.370 nan 8.270 nan 0.000 0.421 371 T N 1.137 115.770 114.554 0.131 0.000 2.622 371 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 371 T C 1.956 176.745 174.700 0.147 0.000 1.047 371 T CA 1.686 63.874 62.100 0.148 0.000 1.159 371 T CB -0.259 68.721 68.868 0.186 0.000 0.863 371 T HN 0.293 nan 8.240 nan 0.000 0.422 372 M N 0.627 120.320 119.600 0.155 0.000 2.089 372 M HA -0.154 4.326 4.480 -0.000 0.000 0.257 372 M C 2.438 178.869 176.300 0.218 0.000 1.071 372 M CA 1.543 57.008 55.300 0.274 0.000 1.096 372 M CB -0.759 32.028 32.600 0.313 0.000 1.330 372 M HN 0.115 nan 8.290 nan 0.000 0.403 373 V N -0.252 119.732 119.914 0.116 0.000 2.515 373 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 373 V C 2.261 178.346 176.094 -0.016 0.000 1.058 373 V CA 1.789 64.088 62.300 -0.001 0.000 1.064 373 V CB -0.814 31.031 31.823 0.037 0.000 0.675 373 V HN 0.541 nan 8.190 nan 0.000 0.461 374 Q N -0.221 119.620 119.800 0.068 0.000 2.050 374 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 374 Q C 2.030 178.110 176.000 0.133 0.000 0.980 374 Q CA 2.010 57.869 55.803 0.093 0.000 0.840 374 Q CB -0.088 28.722 28.738 0.119 0.000 0.898 374 Q HN 0.608 nan 8.270 nan 0.000 0.424 375 D N 0.373 120.876 120.400 0.172 0.000 2.092 375 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 375 D C 1.866 178.144 176.300 -0.037 0.000 0.994 375 D CA 1.177 55.292 54.000 0.191 0.000 0.828 375 D CB -0.273 40.631 40.800 0.172 0.000 0.963 375 D HN 0.324 nan 8.370 nan 0.000 0.450 376 I N 0.662 121.187 120.570 -0.076 0.000 2.208 376 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 376 I C 2.385 178.378 176.117 -0.208 0.000 1.097 376 I CA 0.682 61.835 61.300 -0.244 0.000 1.363 376 I CB -0.143 37.602 38.000 -0.426 0.000 1.051 376 I HN 0.050 nan 8.210 nan 0.000 0.413 377 L N -0.009 121.136 121.223 -0.131 0.000 2.027 377 L HA -0.216 4.124 4.340 -0.000 0.000 0.206 377 L C 2.593 179.536 176.870 0.121 0.000 1.074 377 L CA 1.512 56.356 54.840 0.006 0.000 0.745 377 L CB -0.738 41.341 42.059 0.035 0.000 0.898 377 L HN 0.317 nan 8.230 nan 0.000 0.433 378 L N -0.757 120.565 121.223 0.164 0.000 2.012 378 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 378 L C 2.787 179.839 176.870 0.303 0.000 1.073 378 L CA 1.450 56.472 54.840 0.303 0.000 0.748 378 L CB -0.312 42.054 42.059 0.512 0.000 0.891 378 L HN 0.309 nan 8.230 nan 0.000 0.431 379 M N -0.638 118.982 119.600 0.033 0.000 2.065 379 M HA -0.260 4.220 4.480 -0.000 0.000 0.259 379 M C 2.337 178.711 176.300 0.123 0.000 1.071 379 M CA 1.870 57.109 55.300 -0.101 0.000 1.109 379 M CB -0.426 31.893 32.600 -0.468 0.000 1.313 379 M HN 0.104 nan 8.290 nan 0.000 0.408 380 K N 0.108 120.485 120.400 -0.038 0.000 2.103 380 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 380 K C 1.892 178.481 176.600 -0.017 0.000 1.048 380 K CA 1.467 57.632 56.287 -0.202 0.000 0.930 380 K CB -0.289 31.901 32.500 -0.516 0.000 0.716 380 K HN 0.516 nan 8.250 nan 0.000 0.444 381 Q N 0.173 120.130 119.800 0.262 0.000 2.369 381 Q HA -0.019 4.321 4.340 -0.000 0.000 0.206 381 Q C 0.865 177.158 176.000 0.489 0.000 0.963 381 Q CA 0.576 56.653 55.803 0.456 0.000 0.894 381 Q CB 0.166 29.153 28.738 0.414 0.000 0.965 381 Q HN 0.246 nan 8.270 nan 0.000 0.475 382 N N 0.666 119.611 118.700 0.409 0.000 2.279 382 N HA 0.051 4.791 4.740 -0.000 0.000 0.226 382 N C -0.597 175.030 175.510 0.196 0.000 1.126 382 N CA 0.062 53.346 53.050 0.390 0.000 0.846 382 N CB 0.657 39.451 38.487 0.512 0.000 1.050 382 N HN 0.162 nan 8.380 nan 0.000 0.502 383 N N 0.004 118.810 118.700 0.177 0.000 2.829 383 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 383 N C -0.848 174.561 175.510 -0.170 0.000 1.090 383 N CA 0.716 53.781 53.050 0.026 0.000 0.781 383 N CB -1.734 36.666 38.487 -0.144 0.000 1.124 383 N HN 0.228 nan 8.380 nan 0.000 0.559 384 F N 1.184 121.133 119.950 -0.002 0.000 2.375 384 F HA 0.323 4.850 4.527 -0.000 0.000 0.333 384 F C 1.789 177.572 175.800 -0.028 0.000 1.104 384 F CA -0.503 57.482 58.000 -0.025 0.000 1.149 384 F CB 0.812 39.777 39.000 -0.058 0.000 1.190 384 F HN 0.045 nan 8.300 nan 0.000 0.533 385 N N 0.618 119.433 118.700 0.191 0.000 2.160 385 N HA 0.436 5.176 4.740 -0.000 0.000 0.226 385 N C -0.860 174.714 175.510 0.107 0.000 1.256 385 N CA 0.016 53.120 53.050 0.091 0.000 0.890 385 N CB 0.727 39.317 38.487 0.172 0.000 1.116 385 N HN 0.483 nan 8.380 nan 0.000 0.517 386 A N -0.541 122.400 122.820 0.202 0.000 2.606 386 A HA 0.766 5.086 4.320 -0.000 0.000 0.293 386 A C -1.747 176.044 177.584 0.346 0.000 1.082 386 A CA -0.635 51.578 52.037 0.294 0.000 0.685 386 A CB 1.734 20.949 19.000 0.359 0.000 1.284 386 A HN 0.287 nan 8.150 nan 0.000 0.408 387 V N 0.788 120.951 119.914 0.415 0.000 2.971 387 V HA 0.834 4.954 4.120 -0.000 0.000 0.309 387 V C -0.881 175.355 176.094 0.238 0.000 1.130 387 V CA -0.723 61.782 62.300 0.342 0.000 0.964 387 V CB 2.003 33.934 31.823 0.180 0.000 1.029 387 V HN 1.167 nan 8.190 nan 0.000 0.427 388 R N 4.474 124.972 120.500 -0.003 0.000 2.387 388 R HA 0.493 4.833 4.340 -0.000 0.000 0.314 388 R C -0.804 175.368 176.300 -0.214 0.000 0.958 388 R CA -0.496 55.439 56.100 -0.275 0.000 0.846 388 R CB 1.276 31.155 30.300 -0.701 0.000 1.147 388 R HN 0.833 nan 8.270 nan 0.000 0.447 389 C N 4.222 123.422 119.300 -0.167 0.000 3.329 389 C HA 0.098 4.558 4.460 -0.000 0.000 0.537 389 C C 0.538 175.255 174.990 -0.455 0.000 1.034 389 C CA -0.423 58.443 59.018 -0.255 0.000 1.086 389 C CB -2.194 25.505 27.740 -0.068 0.000 1.392 389 C HN 0.687 nan 8.230 nan 0.000 0.612 390 S N 1.377 116.701 115.700 -0.626 0.000 2.481 390 S HA 0.156 4.626 4.470 -0.000 0.000 0.282 390 S C -0.114 173.624 174.600 -1.438 0.000 1.243 390 S CA 0.166 57.743 58.200 -1.039 0.000 1.078 390 S CB 0.078 62.608 63.200 -1.117 0.000 0.916 390 S HN 0.727 nan 8.310 nan 0.000 0.495 391 H N 3.534 121.989 119.070 -1.026 0.000 2.597 391 H HA 0.317 4.873 4.556 -0.000 0.000 0.225 391 H C -1.150 174.008 175.328 -0.284 0.000 1.422 391 H CA -0.379 55.427 56.048 -0.404 0.000 1.335 391 H CB -0.134 29.599 29.762 -0.048 0.000 1.783 391 H HN 0.889 nan 8.280 nan 0.000 0.513 392 Y N -2.750 117.647 120.300 0.163 0.000 2.765 392 Y HA 0.391 4.941 4.550 -0.000 0.000 0.350 392 Y C -3.303 172.699 175.900 0.170 0.000 1.196 392 Y CA -2.978 55.226 58.100 0.174 0.000 1.119 392 Y CB -0.024 38.542 38.460 0.176 0.000 1.368 392 Y HN -0.081 nan 8.280 nan 0.000 0.463 393 P HA 0.176 nan 4.420 nan 0.000 0.269 393 P C -0.668 176.922 177.300 0.484 0.000 1.209 393 P CA 0.132 63.485 63.100 0.422 0.000 0.776 393 P CB 0.628 32.511 31.700 0.305 0.000 0.876 394 N N 0.164 119.155 118.700 0.485 0.000 2.491 394 N HA 0.115 4.855 4.740 -0.000 0.000 0.279 394 N C -0.042 175.695 175.510 0.378 0.000 1.236 394 N CA -0.635 52.608 53.050 0.323 0.000 0.982 394 N CB 0.409 38.864 38.487 -0.054 0.000 1.194 394 N HN 0.592 nan 8.380 nan 0.000 0.582 395 H N 1.791 120.964 119.070 0.170 0.000 3.034 395 H HA 0.014 4.570 4.556 -0.000 0.000 0.324 395 H C -1.733 173.778 175.328 0.304 0.000 1.015 395 H CA -0.795 55.360 56.048 0.178 0.000 1.429 395 H CB 1.044 30.870 29.762 0.107 0.000 1.429 395 H HN 0.396 nan 8.280 nan 0.000 0.585 396 P HA -0.226 nan 4.420 nan 0.000 0.217 396 P C 1.770 179.365 177.300 0.491 0.000 1.151 396 P CA 0.878 64.186 63.100 0.347 0.000 0.849 396 P CB 0.155 31.892 31.700 0.061 0.000 0.787 397 L N -1.503 120.083 121.223 0.605 0.000 2.201 397 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 397 L C 2.258 179.341 176.870 0.354 0.000 1.105 397 L CA 1.345 56.463 54.840 0.463 0.000 0.775 397 L CB -1.283 41.058 42.059 0.469 0.000 0.913 397 L HN 0.052 nan 8.230 nan 0.000 0.440 398 W N -0.282 121.087 121.300 0.116 0.000 2.318 398 W HA -0.360 4.300 4.660 -0.000 0.000 0.313 398 W C 2.104 178.503 176.519 -0.199 0.000 1.221 398 W CA 2.083 59.349 57.345 -0.130 0.000 1.266 398 W CB -0.425 28.824 29.460 -0.352 0.000 1.150 398 W HN 0.279 nan 8.180 nan 0.000 0.496 399 Y N 0.583 120.834 120.300 -0.083 0.000 2.224 399 Y HA -0.231 4.319 4.550 -0.000 0.000 0.289 399 Y C 2.853 178.523 175.900 -0.384 0.000 1.146 399 Y CA 2.107 59.933 58.100 -0.455 0.000 1.182 399 Y CB -1.334 36.580 38.460 -0.911 0.000 0.983 399 Y HN -0.198 nan 8.280 nan 0.000 0.524 400 T N 0.493 115.064 114.554 0.028 0.000 2.777 400 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 400 T C 2.011 176.747 174.700 0.060 0.000 1.040 400 T CA 1.114 63.297 62.100 0.139 0.000 1.141 400 T CB -0.471 68.537 68.868 0.233 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.445 121.672 121.223 0.006 0.000 2.046 401 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 401 L C 2.865 179.727 176.870 -0.014 0.000 1.077 401 L CA 1.061 55.928 54.840 0.046 0.000 0.747 401 L CB -0.754 41.285 42.059 -0.033 0.000 0.896 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 C N -0.227 118.892 119.300 -0.301 0.000 2.425 402 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 402 C C 2.397 177.423 174.990 0.059 0.000 1.280 402 C CA 0.383 59.261 59.018 -0.232 0.000 1.744 402 C CB -0.844 26.649 27.740 -0.412 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.444 120.880 120.400 0.060 0.000 2.144 403 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 403 D C 2.379 178.865 176.300 0.310 0.000 0.984 403 D CA 1.184 55.290 54.000 0.176 0.000 0.834 403 D CB -0.334 40.524 40.800 0.097 0.000 0.955 403 D HN 0.536 nan 8.370 nan 0.000 0.465 404 R N -0.967 119.612 120.500 0.130 0.000 2.080 404 R HA 0.012 4.352 4.340 -0.000 0.000 0.222 404 R C 2.172 178.396 176.300 -0.126 0.000 1.107 404 R CA 0.553 56.650 56.100 -0.005 0.000 0.980 404 R CB -0.173 30.038 30.300 -0.148 0.000 0.879 404 R HN 0.266 nan 8.270 nan 0.000 0.439 405 Y N -0.155 120.157 120.300 0.021 0.000 2.395 405 Y HA 0.127 4.677 4.550 -0.000 0.000 0.293 405 Y C 1.027 176.859 175.900 -0.114 0.000 1.123 405 Y CA 0.867 58.950 58.100 -0.028 0.000 1.227 405 Y CB 0.599 39.012 38.460 -0.078 0.000 1.012 405 Y HN 0.256 nan 8.280 nan 0.000 0.552 406 G N 1.138 109.960 108.800 0.037 0.000 2.980 406 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.255 406 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.255 406 G C -1.099 173.631 174.900 -0.284 0.000 1.020 406 G CA -0.551 44.424 45.100 -0.208 0.000 1.230 406 G HN 0.157 nan 8.290 nan 0.000 0.580 407 L N 0.751 121.880 121.223 -0.157 0.000 2.431 407 L HA 0.528 4.868 4.340 -0.000 0.000 0.266 407 L C 0.021 176.851 176.870 -0.066 0.000 0.978 407 L CA -1.334 53.377 54.840 -0.216 0.000 0.822 407 L CB 2.001 43.960 42.059 -0.166 0.000 1.310 407 L HN 0.413 nan 8.230 nan 0.000 0.409 408 Y N 1.793 122.199 120.300 0.177 0.000 2.319 408 Y HA 0.421 4.971 4.550 -0.000 0.000 0.328 408 Y C 0.206 176.217 175.900 0.185 0.000 1.133 408 Y CA -0.646 57.590 58.100 0.227 0.000 1.265 408 Y CB 1.376 39.955 38.460 0.198 0.000 1.218 408 Y HN 0.151 nan 8.280 nan 0.000 0.508 409 V N 3.755 123.849 119.914 0.300 0.000 2.735 409 V HA 0.384 4.504 4.120 -0.000 0.000 0.310 409 V C -0.702 175.477 176.094 0.142 0.000 1.061 409 V CA -1.039 61.386 62.300 0.208 0.000 0.913 409 V CB 2.067 33.980 31.823 0.151 0.000 1.005 409 V HN 0.450 nan 8.190 nan 0.000 0.428 410 V N 2.593 122.567 119.914 0.099 0.000 2.347 410 V HA 0.370 4.490 4.120 -0.000 0.000 0.280 410 V C -0.448 175.689 176.094 0.071 0.000 1.021 410 V CA -0.399 61.914 62.300 0.023 0.000 0.847 410 V CB 1.555 33.310 31.823 -0.112 0.000 0.990 410 V HN 0.889 nan 8.190 nan 0.000 0.444 411 D N 3.989 124.460 120.400 0.119 0.000 2.249 411 D HA 0.332 4.972 4.640 -0.000 0.000 0.246 411 D C -0.273 176.204 176.300 0.296 0.000 1.114 411 D CA -0.049 54.112 54.000 0.268 0.000 0.854 411 D CB 1.332 42.336 40.800 0.339 0.000 1.132 411 D HN 0.694 nan 8.370 nan 0.000 0.461 412 E N 1.845 122.190 120.200 0.241 0.000 2.210 412 E HA 0.609 4.959 4.350 -0.000 0.000 0.266 412 E C -1.017 175.714 176.600 0.219 0.000 0.883 412 E CA -1.062 55.466 56.400 0.212 0.000 0.761 412 E CB 1.355 31.132 29.700 0.127 0.000 1.156 412 E HN 0.473 nan 8.360 nan 0.000 0.412 413 A N 3.808 126.751 122.820 0.206 0.000 2.483 413 A HA 0.021 4.341 4.320 -0.000 0.000 0.238 413 A C 0.394 178.098 177.584 0.199 0.000 1.070 413 A CA -0.152 51.989 52.037 0.172 0.000 0.770 413 A CB 0.113 19.182 19.000 0.114 0.000 1.008 413 A HN 0.700 nan 8.150 nan 0.000 0.497 414 N N 1.317 120.143 118.700 0.209 0.000 3.103 414 N HA 0.225 4.965 4.740 -0.000 0.000 0.305 414 N C -0.949 174.684 175.510 0.204 0.000 1.232 414 N CA 0.228 53.433 53.050 0.258 0.000 1.190 414 N CB -0.869 37.777 38.487 0.265 0.000 1.461 414 N HN 0.477 nan 8.380 nan 0.000 0.538 415 I N 0.661 121.343 120.570 0.186 0.000 2.500 415 I HA 0.280 4.449 4.170 -0.000 0.000 0.286 415 I C -0.597 175.609 176.117 0.148 0.000 1.063 415 I CA -0.679 60.712 61.300 0.151 0.000 1.062 415 I CB 1.927 39.990 38.000 0.106 0.000 1.223 415 I HN 0.211 nan 8.210 nan 0.000 0.435 416 E N 4.273 124.557 120.200 0.140 0.000 2.294 416 E HA 0.299 4.649 4.350 -0.000 0.000 0.272 416 E C -0.488 176.171 176.600 0.098 0.000 0.896 416 E CA -0.434 56.024 56.400 0.097 0.000 0.802 416 E CB 1.594 31.338 29.700 0.072 0.000 1.267 416 E HN 0.654 nan 8.360 nan 0.000 0.406 417 T N 0.758 115.361 114.554 0.083 0.000 3.293 417 T HA 0.142 4.492 4.350 -0.000 0.000 0.276 417 T C 1.018 175.769 174.700 0.085 0.000 1.003 417 T CA -0.219 61.952 62.100 0.118 0.000 0.916 417 T CB -0.293 68.618 68.868 0.071 0.000 1.134 417 T HN 0.671 nan 8.240 nan 0.000 0.530 418 H N 1.259 120.250 119.070 -0.132 0.000 2.325 418 H HA -0.150 4.406 4.556 -0.000 0.000 0.293 418 H C 2.292 177.488 175.328 -0.220 0.000 1.106 418 H CA 1.449 57.380 56.048 -0.194 0.000 1.247 418 H CB -0.284 29.332 29.762 -0.244 0.000 1.359 418 H HN 0.584 nan 8.280 nan 0.000 0.488 419 G N 0.244 108.881 108.800 -0.272 0.000 2.776 419 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.209 419 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.209 419 G C 0.562 175.556 174.900 0.156 0.000 1.145 419 G CA -0.084 44.891 45.100 -0.209 0.000 0.791 419 G HN 0.152 nan 8.290 nan 0.000 0.530 420 M N 0.020 119.751 119.600 0.218 0.000 2.113 420 M HA 0.346 4.826 4.480 -0.000 0.000 0.288 420 M C -0.289 176.040 176.300 0.048 0.000 1.225 420 M CA -0.138 55.247 55.300 0.142 0.000 1.148 420 M CB 1.175 33.811 32.600 0.061 0.000 1.388 420 M HN -0.188 nan 8.290 nan 0.000 0.469 421 V N 2.204 122.125 119.914 0.012 0.000 2.567 421 V HA 0.326 4.446 4.120 -0.000 0.000 0.298 421 V C -2.141 173.940 176.094 -0.022 0.000 1.047 421 V CA -1.322 60.972 62.300 -0.009 0.000 0.880 421 V CB 1.930 33.745 31.823 -0.015 0.000 1.009 421 V HN 0.730 nan 8.190 nan 0.000 0.429 422 P HA 0.274 nan 4.420 nan 0.000 0.274 422 P C 1.098 178.393 177.300 -0.009 0.000 1.256 422 P CA -0.552 62.539 63.100 -0.016 0.000 0.795 422 P CB 0.752 32.444 31.700 -0.013 0.000 1.038 423 M N 0.811 120.411 119.600 0.001 0.000 2.260 423 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 423 M C 0.962 177.273 176.300 0.018 0.000 1.066 423 M CA 1.921 57.230 55.300 0.016 0.000 1.082 423 M CB -0.380 32.223 32.600 0.004 0.000 1.388 423 M HN 0.386 nan 8.290 nan 0.000 0.419 424 N N -0.265 118.442 118.700 0.012 0.000 2.251 424 N HA -0.046 4.694 4.740 -0.000 0.000 0.217 424 N C 1.081 176.553 175.510 -0.063 0.000 1.124 424 N CA 0.055 53.106 53.050 0.003 0.000 0.843 424 N CB -0.639 37.868 38.487 0.034 0.000 1.024 424 N HN 0.352 nan 8.380 nan 0.000 0.501 425 R N 0.537 120.989 120.500 -0.079 0.000 2.103 425 R HA -0.027 4.313 4.340 -0.000 0.000 0.242 425 R C 1.421 177.599 176.300 -0.203 0.000 1.142 425 R CA 1.556 57.585 56.100 -0.119 0.000 0.960 425 R CB -0.082 30.149 30.300 -0.116 0.000 0.858 425 R HN 0.304 nan 8.270 nan 0.000 0.439 426 L N -0.734 120.303 121.223 -0.310 0.000 2.202 426 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 426 L C 2.446 179.133 176.870 -0.305 0.000 1.083 426 L CA 1.184 55.707 54.840 -0.529 0.000 0.790 426 L CB -0.613 40.862 42.059 -0.974 0.000 0.942 426 L HN 0.362 nan 8.230 nan 0.000 0.452 427 T N -3.912 110.503 114.554 -0.232 0.000 2.977 427 T HA -0.194 4.156 4.350 -0.000 0.000 0.271 427 T C 1.220 175.800 174.700 -0.200 0.000 1.105 427 T CA 1.346 63.294 62.100 -0.253 0.000 1.116 427 T CB -0.295 68.379 68.868 -0.325 0.000 0.878 427 T HN 0.111 nan 8.240 nan 0.000 0.509 428 D N 1.208 121.530 120.400 -0.130 0.000 2.342 428 D HA 0.142 4.782 4.640 -0.000 0.000 0.221 428 D C -0.466 175.802 176.300 -0.054 0.000 1.101 428 D CA -0.247 53.696 54.000 -0.096 0.000 0.837 428 D CB -0.025 40.730 40.800 -0.076 0.000 0.938 428 D HN 0.341 nan 8.370 nan 0.000 0.508 429 D N -0.514 119.870 120.400 -0.026 0.000 2.408 429 D HA 0.178 4.818 4.640 -0.000 0.000 0.243 429 D C -1.799 174.555 176.300 0.090 0.000 1.075 429 D CA -2.281 51.748 54.000 0.048 0.000 0.832 429 D CB 2.309 43.175 40.800 0.110 0.000 1.162 429 D HN -0.128 nan 8.370 nan 0.000 0.515 430 P HA -0.121 nan 4.420 nan 0.000 0.217 430 P C 1.082 178.387 177.300 0.007 0.000 1.148 430 P CA 1.015 64.123 63.100 0.013 0.000 0.828 430 P CB 0.338 32.036 31.700 -0.005 0.000 0.783 431 R N -1.924 118.587 120.500 0.019 0.000 2.152 431 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 431 R C 1.657 177.835 176.300 -0.203 0.000 1.117 431 R CA 1.258 57.300 56.100 -0.097 0.000 0.981 431 R CB -0.635 29.584 30.300 -0.136 0.000 0.870 431 R HN 0.317 nan 8.270 nan 0.000 0.451 432 W N -0.608 120.633 121.300 -0.099 0.000 3.278 432 W HA 0.161 4.821 4.660 -0.000 0.000 0.308 432 W C 1.352 177.808 176.519 -0.105 0.000 1.253 432 W CA -0.524 56.761 57.345 -0.100 0.000 1.759 432 W CB 0.038 29.435 29.460 -0.106 0.000 1.093 432 W HN 0.038 nan 8.180 nan 0.000 0.648 433 L N 2.320 123.583 121.223 0.066 0.000 2.012 433 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 433 L C -0.668 176.172 176.870 -0.049 0.000 1.073 433 L CA 2.311 57.146 54.840 -0.008 0.000 0.748 433 L CB -1.687 40.354 42.059 -0.030 0.000 0.891 433 L HN -0.230 nan 8.230 nan 0.000 0.431 434 P HA -0.132 nan 4.420 nan 0.000 0.216 434 P C 1.612 178.861 177.300 -0.086 0.000 1.153 434 P CA 2.109 65.151 63.100 -0.096 0.000 0.848 434 P CB -0.249 31.385 31.700 -0.110 0.000 0.787 435 A N -0.692 122.091 122.820 -0.061 0.000 1.877 435 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 435 A C 2.257 179.852 177.584 0.018 0.000 1.186 435 A CA 1.955 53.987 52.037 -0.009 0.000 0.620 435 A CB -1.492 17.537 19.000 0.048 0.000 0.822 435 A HN 0.088 nan 8.150 nan 0.000 0.443 436 M N -0.221 119.398 119.600 0.032 0.000 2.159 436 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 436 M C 2.579 178.828 176.300 -0.085 0.000 1.063 436 M CA 1.716 57.010 55.300 -0.010 0.000 1.110 436 M CB -0.468 32.104 32.600 -0.046 0.000 1.374 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.694 116.318 115.700 -0.127 0.000 2.365 437 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 437 S C 1.683 176.120 174.600 -0.271 0.000 1.039 437 S CA 1.545 59.608 58.200 -0.229 0.000 1.033 437 S CB -0.360 62.701 63.200 -0.233 0.000 0.887 437 S HN 0.482 nan 8.310 nan 0.000 0.447 438 E N 0.730 120.819 120.200 -0.186 0.000 2.110 438 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 438 E C 2.417 178.933 176.600 -0.141 0.000 0.988 438 E CA 0.911 57.209 56.400 -0.170 0.000 0.804 438 E CB -0.215 29.419 29.700 -0.110 0.000 0.745 438 E HN 0.590 nan 8.360 nan 0.000 0.458 439 R N 0.263 120.708 120.500 -0.091 0.000 2.120 439 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 439 R C 2.339 178.596 176.300 -0.073 0.000 1.123 439 R CA 0.821 56.895 56.100 -0.043 0.000 0.975 439 R CB -0.031 30.279 30.300 0.017 0.000 0.866 439 R HN 0.007 nan 8.270 nan 0.000 0.446 440 V N 0.005 119.831 119.914 -0.148 0.000 2.374 440 V HA -0.168 3.951 4.120 -0.000 0.000 0.241 440 V C 2.411 178.340 176.094 -0.274 0.000 1.034 440 V CA 2.000 64.197 62.300 -0.172 0.000 1.037 440 V CB -0.304 31.413 31.823 -0.176 0.000 0.682 440 V HN 0.513 nan 8.190 nan 0.000 0.463 441 T N -0.381 113.885 114.554 -0.480 0.000 2.684 441 T HA -0.293 4.057 4.350 -0.000 0.000 0.267 441 T C 1.949 176.497 174.700 -0.253 0.000 1.036 441 T CA 1.692 63.434 62.100 -0.595 0.000 1.148 441 T CB -0.473 67.901 68.868 -0.825 0.000 0.863 441 T HN 0.394 nan 8.240 nan 0.000 0.436 442 R N 0.347 120.720 120.500 -0.212 0.000 2.096 442 R HA 0.119 4.459 4.340 -0.000 0.000 0.235 442 R C 2.696 178.920 176.300 -0.127 0.000 1.127 442 R CA 1.552 57.564 56.100 -0.146 0.000 0.968 442 R CB -0.501 29.723 30.300 -0.128 0.000 0.861 442 R HN 0.487 nan 8.270 nan 0.000 0.440 443 M N 0.651 120.182 119.600 -0.114 0.000 2.086 443 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 443 M C 1.949 178.167 176.300 -0.136 0.000 1.067 443 M CA 1.662 56.918 55.300 -0.073 0.000 1.116 443 M CB 0.052 32.643 32.600 -0.015 0.000 1.348 443 M HN -0.015 nan 8.290 nan 0.000 0.407 444 V N 0.854 120.591 119.914 -0.295 0.000 2.343 444 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 444 V C 2.283 178.260 176.094 -0.194 0.000 1.051 444 V CA 2.056 64.066 62.300 -0.483 0.000 1.036 444 V CB -0.921 30.590 31.823 -0.520 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.712 119.011 119.800 -0.128 0.000 2.181 445 Q HA -0.240 4.100 4.340 -0.000 0.000 0.205 445 Q C 2.492 178.406 176.000 -0.143 0.000 0.980 445 Q CA 1.709 57.447 55.803 -0.107 0.000 0.862 445 Q CB -0.172 28.523 28.738 -0.071 0.000 0.905 445 Q HN 0.534 nan 8.270 nan 0.000 0.429 446 R N 0.157 120.566 120.500 -0.153 0.000 2.100 446 R HA -0.085 4.255 4.340 -0.000 0.000 0.220 446 R C 0.560 176.779 176.300 -0.135 0.000 1.091 446 R CA 1.248 57.235 56.100 -0.189 0.000 0.986 446 R CB 0.414 30.607 30.300 -0.179 0.000 0.888 446 R HN 0.138 nan 8.270 nan 0.000 0.444 447 D N -0.145 120.234 120.400 -0.035 0.000 2.369 447 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 447 D C 1.197 177.585 176.300 0.147 0.000 1.077 447 D CA 0.185 54.209 54.000 0.040 0.000 0.842 447 D CB 0.365 41.146 40.800 -0.033 0.000 0.947 447 D HN 0.317 nan 8.370 nan 0.000 0.509 448 R N 0.419 121.012 120.500 0.155 0.000 2.357 448 R HA 0.080 4.420 4.340 -0.000 0.000 0.202 448 R C 0.872 177.149 176.300 -0.039 0.000 1.047 448 R CA 0.850 57.053 56.100 0.171 0.000 1.034 448 R CB -0.280 30.117 30.300 0.161 0.000 0.875 448 R HN -0.111 nan 8.270 nan 0.000 0.473 449 N N 0.077 118.675 118.700 -0.170 0.000 2.280 449 N HA -0.009 4.731 4.740 -0.000 0.000 0.192 449 N C -0.527 174.827 175.510 -0.260 0.000 1.109 449 N CA 0.131 53.038 53.050 -0.239 0.000 0.855 449 N CB 0.146 38.435 38.487 -0.330 0.000 0.974 449 N HN 0.306 nan 8.380 nan 0.000 0.482 450 H N 1.719 120.699 119.070 -0.151 0.000 2.819 450 H HA 0.090 4.646 4.556 -0.000 0.000 0.303 450 H C -1.159 173.999 175.328 -0.283 0.000 1.058 450 H CA -1.123 54.819 56.048 -0.177 0.000 1.471 450 H CB 1.459 31.146 29.762 -0.124 0.000 1.480 450 H HN 0.065 nan 8.280 nan 0.000 0.517 451 P HA -0.152 nan 4.420 nan 0.000 0.218 451 P C 1.353 178.200 177.300 -0.755 0.000 1.149 451 P CA 1.162 63.905 63.100 -0.594 0.000 0.817 451 P CB 0.267 31.393 31.700 -0.958 0.000 0.785 452 S N -1.242 114.090 115.700 -0.612 0.000 2.481 452 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 452 S C 1.023 175.593 174.600 -0.049 0.000 0.996 452 S CA 0.063 58.084 58.200 -0.299 0.000 0.942 452 S CB -1.230 61.947 63.200 -0.038 0.000 0.768 452 S HN -0.081 nan 8.310 nan 0.000 0.520 453 V N 3.510 123.356 119.914 -0.114 0.000 2.427 453 V HA 0.268 4.388 4.120 -0.000 0.000 0.268 453 V C 1.024 176.976 176.094 -0.237 0.000 1.046 453 V CA -0.131 62.071 62.300 -0.163 0.000 0.970 453 V CB 0.547 32.176 31.823 -0.323 0.000 1.001 453 V HN 0.628 nan 8.190 nan 0.000 0.476 454 I N 2.687 123.168 120.570 -0.148 0.000 4.288 454 I HA 0.511 4.681 4.170 -0.000 0.000 0.331 454 I C 0.322 176.321 176.117 -0.197 0.000 1.322 454 I CA 0.395 61.614 61.300 -0.134 0.000 1.149 454 I CB 0.480 38.479 38.000 -0.000 0.000 1.112 454 I HN 0.308 nan 8.210 nan 0.000 0.403 455 I N 0.065 120.498 120.570 -0.228 0.000 2.802 455 I HA 0.380 4.550 4.170 -0.000 0.000 0.298 455 I C -1.559 174.442 176.117 -0.193 0.000 1.176 455 I CA -0.432 60.767 61.300 -0.168 0.000 1.025 455 I CB 2.247 40.244 38.000 -0.005 0.000 1.243 455 I HN 0.014 nan 8.210 nan 0.000 0.424 456 W N 3.393 124.737 121.300 0.073 0.000 2.496 456 W HA 0.637 5.297 4.660 -0.000 0.000 0.327 456 W C 0.282 176.860 176.519 0.099 0.000 1.086 456 W CA -0.680 56.714 57.345 0.081 0.000 1.222 456 W CB 1.798 31.300 29.460 0.070 0.000 1.304 456 W HN 0.306 nan 8.180 nan 0.000 0.547 457 S N 2.638 118.566 115.700 0.380 0.000 2.521 457 S HA 0.411 4.881 4.470 -0.000 0.000 0.295 457 S C 0.143 174.903 174.600 0.267 0.000 1.098 457 S CA -0.698 57.669 58.200 0.279 0.000 0.999 457 S CB 0.853 64.170 63.200 0.195 0.000 1.034 457 S HN 0.581 nan 8.310 nan 0.000 0.483 458 L N 4.032 125.407 121.223 0.254 0.000 2.599 458 L HA 0.377 4.717 4.340 -0.000 0.000 0.230 458 L C 1.357 178.300 176.870 0.122 0.000 1.141 458 L CA 0.464 55.385 54.840 0.135 0.000 0.877 458 L CB -0.990 41.056 42.059 -0.021 0.000 1.009 458 L HN 0.977 nan 8.230 nan 0.000 0.447 459 G N -0.103 108.839 108.800 0.237 0.000 2.270 459 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.268 459 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.268 459 G C -1.783 173.288 174.900 0.286 0.000 1.312 459 G CA -0.649 44.589 45.100 0.230 0.000 1.050 459 G HN 0.140 nan 8.290 nan 0.000 0.474 460 N N -0.111 118.702 118.700 0.188 0.000 2.405 460 N HA 0.472 5.212 4.740 -0.000 0.000 0.274 460 N C -0.431 175.037 175.510 -0.070 0.000 1.170 460 N CA -0.022 53.004 53.050 -0.040 0.000 0.848 460 N CB 1.665 39.860 38.487 -0.485 0.000 1.629 460 N HN 0.846 nan 8.380 nan 0.000 0.481 461 E N 0.442 120.507 120.200 -0.224 0.000 2.106 461 E HA -0.192 4.158 4.350 -0.000 0.000 0.175 461 E C -0.762 175.756 176.600 -0.137 0.000 1.448 461 E CA 0.725 56.922 56.400 -0.338 0.000 0.672 461 E CB -1.252 27.971 29.700 -0.794 0.000 1.057 461 E HN 0.390 nan 8.360 nan 0.000 0.321 462 S N 0.055 115.819 115.700 0.108 0.000 2.843 462 S HA 0.392 4.862 4.470 -0.000 0.000 0.249 462 S C 0.729 175.492 174.600 0.272 0.000 1.047 462 S CA -0.167 58.148 58.200 0.192 0.000 1.042 462 S CB 1.325 64.695 63.200 0.283 0.000 0.936 462 S HN 0.830 nan 8.310 nan 0.000 0.531 463 G N 2.039 110.938 108.800 0.165 0.000 2.578 463 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.275 463 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.275 463 G C -0.479 174.629 174.900 0.347 0.000 1.271 463 G CA -0.031 45.168 45.100 0.165 0.000 0.941 463 G HN 0.628 nan 8.290 nan 0.000 0.564 464 H N 0.599 119.788 119.070 0.199 0.000 2.823 464 H HA 0.584 5.140 4.556 -0.000 0.000 0.332 464 H C 0.242 175.741 175.328 0.285 0.000 0.980 464 H CA 0.072 56.276 56.048 0.259 0.000 1.286 464 H CB 0.839 30.683 29.762 0.137 0.000 1.541 464 H HN 1.140 nan 8.280 nan 0.000 0.521 465 G N 1.415 110.218 108.800 0.006 0.000 2.730 465 G HA2 0.452 4.412 3.960 -0.000 0.000 0.289 465 G HA3 0.452 4.412 3.960 -0.000 0.000 0.289 465 G C 0.476 175.203 174.900 -0.287 0.000 1.341 465 G CA -0.158 44.797 45.100 -0.242 0.000 0.932 465 G HN 0.648 nan 8.290 nan 0.000 0.481 466 A N 0.088 122.794 122.820 -0.191 0.000 2.024 466 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 466 A C 2.092 179.639 177.584 -0.061 0.000 1.164 466 A CA 1.926 53.905 52.037 -0.097 0.000 0.643 466 A CB -0.432 18.536 19.000 -0.053 0.000 0.806 466 A HN 0.515 nan 8.150 nan 0.000 0.451 467 N N -0.338 118.285 118.700 -0.128 0.000 2.223 467 N HA -0.136 4.604 4.740 -0.000 0.000 0.185 467 N C 1.393 176.840 175.510 -0.106 0.000 1.016 467 N CA 1.651 54.618 53.050 -0.138 0.000 0.863 467 N CB -0.619 37.739 38.487 -0.215 0.000 0.983 467 N HN 0.792 nan 8.380 nan 0.000 0.429 468 H N 0.257 119.284 119.070 -0.072 0.000 2.326 468 H HA -0.026 4.530 4.556 -0.000 0.000 0.301 468 H C 1.231 176.609 175.328 0.082 0.000 1.081 468 H CA 1.246 57.264 56.048 -0.049 0.000 1.334 468 H CB 0.166 29.889 29.762 -0.064 0.000 1.385 468 H HN 0.173 nan 8.280 nan 0.000 0.504 469 D N 0.484 121.028 120.400 0.240 0.000 2.123 469 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 469 D C 2.304 178.750 176.300 0.244 0.000 0.992 469 D CA 1.229 55.370 54.000 0.234 0.000 0.833 469 D CB -0.505 40.403 40.800 0.181 0.000 0.954 469 D HN 0.426 nan 8.370 nan 0.000 0.455 470 A N 0.695 123.609 122.820 0.156 0.000 1.902 470 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 470 A C 2.402 180.094 177.584 0.180 0.000 1.181 470 A CA 1.005 53.127 52.037 0.141 0.000 0.623 470 A CB -0.729 18.312 19.000 0.070 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.443 471 L N -2.282 119.037 121.223 0.161 0.000 2.179 471 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 471 L C 2.547 179.566 176.870 0.247 0.000 1.096 471 L CA 1.344 56.284 54.840 0.167 0.000 0.779 471 L CB -0.646 41.447 42.059 0.057 0.000 0.922 471 L HN 0.596 nan 8.230 nan 0.000 0.443 472 Y N 0.827 121.208 120.300 0.135 0.000 2.128 472 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 472 Y C 2.846 178.820 175.900 0.125 0.000 1.154 472 Y CA 1.474 59.653 58.100 0.132 0.000 1.149 472 Y CB -0.161 38.377 38.460 0.131 0.000 0.976 472 Y HN -0.076 nan 8.280 nan 0.000 0.505 473 R N -0.021 120.581 120.500 0.169 0.000 2.096 473 R HA -0.228 4.112 4.340 -0.000 0.000 0.235 473 R C 2.069 178.361 176.300 -0.012 0.000 1.127 473 R CA 1.818 57.935 56.100 0.029 0.000 0.968 473 R CB -1.582 28.824 30.300 0.176 0.000 0.861 473 R HN 0.680 nan 8.270 nan 0.000 0.440 474 W N 1.017 122.272 121.300 -0.075 0.000 2.355 474 W HA -0.143 4.517 4.660 -0.000 0.000 0.309 474 W C 1.837 178.265 176.519 -0.152 0.000 1.206 474 W CA 1.567 58.856 57.345 -0.094 0.000 1.284 474 W CB -0.313 29.097 29.460 -0.084 0.000 1.145 474 W HN -0.017 nan 8.180 nan 0.000 0.502 475 I N 0.835 121.372 120.570 -0.054 0.000 2.226 475 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 475 I C 2.357 178.247 176.117 -0.379 0.000 1.100 475 I CA 1.278 62.383 61.300 -0.325 0.000 1.374 475 I CB -0.824 37.069 38.000 -0.177 0.000 1.057 475 I HN -0.093 nan 8.210 nan 0.000 0.413 476 K N 0.901 121.097 120.400 -0.340 0.000 2.152 476 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 476 K C 2.217 178.665 176.600 -0.254 0.000 1.048 476 K CA 1.335 57.447 56.287 -0.292 0.000 0.933 476 K CB -0.411 31.886 32.500 -0.338 0.000 0.721 476 K HN 0.301 nan 8.250 nan 0.000 0.447 477 S N 0.531 116.042 115.700 -0.315 0.000 2.395 477 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 477 S C 2.169 176.546 174.600 -0.371 0.000 1.027 477 S CA 0.621 58.645 58.200 -0.295 0.000 0.965 477 S CB -0.025 63.009 63.200 -0.276 0.000 0.812 477 S HN -0.016 nan 8.310 nan 0.000 0.482 478 V N 1.265 120.817 119.914 -0.602 0.000 2.649 478 V HA 0.065 4.185 4.120 -0.000 0.000 0.248 478 V C 0.308 176.171 176.094 -0.386 0.000 1.054 478 V CA 1.159 63.098 62.300 -0.603 0.000 1.073 478 V CB -0.123 31.009 31.823 -1.153 0.000 0.699 478 V HN 0.368 nan 8.190 nan 0.000 0.463 479 D N -0.887 119.327 120.400 -0.309 0.000 2.364 479 D HA 0.248 4.888 4.640 -0.000 0.000 0.251 479 D C -2.170 174.117 176.300 -0.022 0.000 1.282 479 D CA -1.552 52.382 54.000 -0.111 0.000 0.927 479 D CB 1.687 42.513 40.800 0.044 0.000 1.267 479 D HN 0.087 nan 8.370 nan 0.000 0.531 480 P HA -0.009 nan 4.420 nan 0.000 0.241 480 P C 1.031 178.344 177.300 0.022 0.000 1.191 480 P CA 0.345 63.433 63.100 -0.020 0.000 0.771 480 P CB 0.159 31.839 31.700 -0.033 0.000 0.929 481 S N -1.242 114.481 115.700 0.038 0.000 2.561 481 S HA 0.079 4.549 4.470 -0.000 0.000 0.225 481 S C 0.876 175.496 174.600 0.034 0.000 0.977 481 S CA -0.096 58.131 58.200 0.044 0.000 0.926 481 S CB -0.359 62.862 63.200 0.035 0.000 0.769 481 S HN 0.079 nan 8.310 nan 0.000 0.533 482 R N 1.009 121.541 120.500 0.053 0.000 2.673 482 R HA 0.550 4.890 4.340 -0.000 0.000 0.281 482 R C -3.235 173.105 176.300 0.068 0.000 0.991 482 R CA -2.177 53.919 56.100 -0.006 0.000 0.896 482 R CB 1.582 31.767 30.300 -0.193 0.000 1.201 482 R HN 0.129 nan 8.270 nan 0.000 0.457 483 P HA 0.170 nan 4.420 nan 0.000 0.274 483 P C -0.790 176.608 177.300 0.163 0.000 1.246 483 P CA -0.478 62.679 63.100 0.094 0.000 0.795 483 P CB 0.724 32.466 31.700 0.070 0.000 1.006 484 V N 1.621 121.662 119.914 0.210 0.000 2.555 484 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 484 V C 0.185 176.453 176.094 0.291 0.000 1.038 484 V CA -0.354 62.121 62.300 0.292 0.000 0.887 484 V CB 1.277 33.273 31.823 0.288 0.000 0.991 484 V HN 0.648 nan 8.190 nan 0.000 0.434 485 Q N 3.460 123.415 119.800 0.258 0.000 2.451 485 Q HA 0.800 5.140 4.340 -0.000 0.000 0.281 485 Q C -1.881 174.266 176.000 0.246 0.000 1.099 485 Q CA -0.942 54.977 55.803 0.194 0.000 0.806 485 Q CB 2.972 31.772 28.738 0.104 0.000 1.419 485 Q HN 0.660 nan 8.270 nan 0.000 0.427 486 Y N 0.342 120.644 120.300 0.004 0.000 2.314 486 Y HA 0.139 4.689 4.550 -0.000 0.000 0.317 486 Y C -0.505 175.331 175.900 -0.107 0.000 1.234 486 Y CA -0.667 57.404 58.100 -0.049 0.000 1.111 486 Y CB 1.969 40.389 38.460 -0.066 0.000 1.283 486 Y HN 0.963 nan 8.280 nan 0.000 0.418 487 E N 3.495 123.240 120.200 -0.759 0.000 2.299 487 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 487 E C 0.713 176.857 176.600 -0.760 0.000 0.998 487 E CA 0.749 56.779 56.400 -0.616 0.000 0.851 487 E CB 0.238 29.686 29.700 -0.419 0.000 0.795 487 E HN 0.888 nan 8.360 nan 0.000 0.492 488 G N -0.188 107.741 108.800 -1.453 0.000 2.559 488 G HA2 0.222 4.182 3.960 -0.000 0.000 0.235 488 G HA3 0.222 4.182 3.960 -0.000 0.000 0.235 488 G C 0.772 175.510 174.900 -0.270 0.000 1.266 488 G CA 0.258 44.915 45.100 -0.739 0.000 0.847 488 G HN 0.329 nan 8.290 nan 0.000 0.583 489 G N -0.641 108.106 108.800 -0.088 0.000 2.198 489 G HA2 0.228 4.188 3.960 -0.000 0.000 0.260 489 G HA3 0.228 4.188 3.960 -0.000 0.000 0.260 489 G C 1.267 176.157 174.900 -0.016 0.000 1.025 489 G CA 1.034 46.145 45.100 0.019 0.000 0.769 489 G HN 2.600 nan 8.290 nan 0.000 0.507 490 G N -1.680 107.104 108.800 -0.027 0.000 2.229 490 G HA2 0.418 4.378 3.960 -0.000 0.000 0.189 490 G HA3 0.418 4.378 3.960 -0.000 0.000 0.189 490 G C 1.071 176.058 174.900 0.144 0.000 1.000 490 G CA 1.327 46.467 45.100 0.068 0.000 0.663 490 G HN 2.347 nan 8.290 nan 0.000 0.493 491 A N -0.182 122.616 122.820 -0.037 0.000 3.413 491 A HA -0.103 4.217 4.320 -0.000 0.000 0.268 491 A C 1.116 178.633 177.584 -0.111 0.000 1.128 491 A CA 2.660 54.625 52.037 -0.120 0.000 1.062 491 A CB -1.804 17.106 19.000 -0.149 0.000 1.121 491 A HN 2.131 nan 8.150 nan 0.000 0.895 492 D N -1.116 119.288 120.400 0.008 0.000 2.636 492 D HA 0.285 4.925 4.640 -0.000 0.000 0.270 492 D C 0.461 176.744 176.300 -0.028 0.000 1.430 492 D CA 0.903 54.916 54.000 0.023 0.000 0.796 492 D CB -1.173 39.771 40.800 0.240 0.000 1.117 492 D HN 0.863 nan 8.370 nan 0.000 0.480 493 T N -2.067 112.406 114.554 -0.136 0.000 2.652 493 T HA 0.153 4.503 4.350 -0.000 0.000 0.319 493 T C 1.622 176.186 174.700 -0.227 0.000 1.029 493 T CA 0.664 62.614 62.100 -0.251 0.000 0.990 493 T CB 0.696 69.192 68.868 -0.620 0.000 1.098 493 T HN 0.085 nan 8.240 nan 0.000 0.520 494 T N -2.342 112.063 114.554 -0.248 0.000 3.113 494 T HA 0.211 4.561 4.350 -0.000 0.000 0.263 494 T C 1.667 176.088 174.700 -0.466 0.000 1.143 494 T CA 0.360 62.322 62.100 -0.230 0.000 1.090 494 T CB -0.479 68.329 68.868 -0.101 0.000 0.922 494 T HN 0.828 nan 8.240 nan 0.000 0.521 495 A N 0.468 123.040 122.820 -0.413 0.000 2.379 495 A HA 0.479 4.799 4.320 -0.000 0.000 0.236 495 A C 0.931 178.304 177.584 -0.352 0.000 1.272 495 A CA -0.167 51.573 52.037 -0.496 0.000 0.886 495 A CB 0.023 19.009 19.000 -0.023 0.000 0.962 495 A HN 0.433 nan 8.150 nan 0.000 0.504 496 T N -1.540 112.853 114.554 -0.269 0.000 2.912 496 T HA 0.394 4.744 4.350 -0.000 0.000 0.299 496 T C -0.591 174.123 174.700 0.025 0.000 1.052 496 T CA -0.454 61.636 62.100 -0.017 0.000 0.996 496 T CB 1.327 70.184 68.868 -0.019 0.000 1.070 496 T HN 0.066 nan 8.240 nan 0.000 0.465 497 D N 2.664 123.156 120.400 0.153 0.000 2.354 497 D HA 0.298 4.938 4.640 -0.000 0.000 0.209 497 D C 0.266 176.595 176.300 0.047 0.000 1.015 497 D CA 0.658 54.736 54.000 0.131 0.000 0.867 497 D CB 0.393 41.299 40.800 0.176 0.000 0.933 497 D HN 0.529 nan 8.370 nan 0.000 0.520 498 I N 0.804 121.382 120.570 0.013 0.000 2.582 498 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 498 I C -0.305 175.745 176.117 -0.111 0.000 1.066 498 I CA -0.907 60.367 61.300 -0.044 0.000 1.053 498 I CB 2.937 40.922 38.000 -0.025 0.000 1.241 498 I HN -0.356 nan 8.210 nan 0.000 0.421 499 I N 5.435 125.894 120.570 -0.185 0.000 2.436 499 I HA 0.082 4.252 4.170 -0.000 0.000 0.289 499 I C 0.027 175.936 176.117 -0.346 0.000 1.083 499 I CA -0.044 61.056 61.300 -0.333 0.000 1.372 499 I CB 0.164 37.863 38.000 -0.502 0.000 1.408 499 I HN 0.653 nan 8.210 nan 0.000 0.516 500 C N 5.527 124.638 119.300 -0.314 0.000 3.414 500 C HA 0.480 4.940 4.460 -0.000 0.000 0.208 500 C C -2.224 172.621 174.990 -0.243 0.000 1.422 500 C CA -2.287 56.591 59.018 -0.234 0.000 1.437 500 C CB -0.876 26.785 27.740 -0.132 0.000 1.850 500 C HN 0.401 nan 8.230 nan 0.000 0.481 501 P HA 0.381 nan 4.420 nan 0.000 0.275 501 P C -0.465 176.766 177.300 -0.115 0.000 1.266 501 P CA 0.128 63.113 63.100 -0.192 0.000 0.793 501 P CB 0.683 32.280 31.700 -0.172 0.000 1.074 502 M N -0.429 119.130 119.600 -0.069 0.000 2.197 502 M HA 0.475 4.955 4.480 -0.000 0.000 0.301 502 M C -0.985 175.273 176.300 -0.071 0.000 0.987 502 M CA -0.651 54.516 55.300 -0.221 0.000 0.921 502 M CB 1.526 33.965 32.600 -0.268 0.000 1.569 502 M HN 0.341 nan 8.290 nan 0.000 0.431 503 Y N -0.302 120.144 120.300 0.243 0.000 4.569 503 Y HA -0.201 4.349 4.550 -0.000 0.000 0.237 503 Y C 0.449 176.501 175.900 0.253 0.000 1.090 503 Y CA 0.435 58.680 58.100 0.241 0.000 2.052 503 Y CB -2.270 36.295 38.460 0.175 0.000 1.621 503 Y HN 0.994 nan 8.280 nan 0.000 0.682 504 A N 1.223 124.237 122.820 0.324 0.000 2.425 504 A HA 0.605 4.925 4.320 -0.000 0.000 0.249 504 A C 0.723 178.501 177.584 0.323 0.000 1.084 504 A CA -0.470 51.765 52.037 0.329 0.000 0.781 504 A CB 0.422 19.650 19.000 0.381 0.000 1.019 504 A HN 0.405 nan 8.150 nan 0.000 0.490 505 R N 1.376 122.003 120.500 0.211 0.000 2.546 505 R HA 0.333 4.673 4.340 -0.000 0.000 0.266 505 R C 0.952 177.223 176.300 -0.048 0.000 1.086 505 R CA -0.752 55.411 56.100 0.106 0.000 1.160 505 R CB 0.538 30.872 30.300 0.056 0.000 1.138 505 R HN 0.469 nan 8.270 nan 0.000 0.567 506 V N 0.631 120.369 119.914 -0.293 0.000 2.283 506 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 506 V C 0.929 176.906 176.094 -0.194 0.000 1.039 506 V CA 1.877 63.956 62.300 -0.368 0.000 1.016 506 V CB -0.248 31.240 31.823 -0.559 0.000 0.650 506 V HN 0.751 nan 8.190 nan 0.000 0.449 507 D N -1.587 118.731 120.400 -0.136 0.000 2.479 507 D HA 0.156 4.796 4.640 -0.000 0.000 0.216 507 D C 0.649 176.928 176.300 -0.035 0.000 1.110 507 D CA 0.065 54.017 54.000 -0.080 0.000 0.841 507 D CB 0.838 41.595 40.800 -0.071 0.000 1.040 507 D HN 0.482 nan 8.370 nan 0.000 0.505 508 E N 1.224 121.409 120.200 -0.024 0.000 2.242 508 E HA 0.222 4.572 4.350 -0.000 0.000 0.275 508 E C -0.805 175.796 176.600 0.001 0.000 1.002 508 E CA -0.581 55.814 56.400 -0.010 0.000 0.841 508 E CB 1.500 31.193 29.700 -0.011 0.000 1.109 508 E HN -0.122 nan 8.360 nan 0.000 0.394 509 D N 1.962 122.359 120.400 -0.005 0.000 2.193 509 D HA 0.174 4.814 4.640 -0.000 0.000 0.249 509 D C -0.645 175.553 176.300 -0.169 0.000 1.034 509 D CA -0.164 53.826 54.000 -0.017 0.000 0.902 509 D CB 1.183 42.036 40.800 0.089 0.000 1.182 509 D HN 0.236 nan 8.370 nan 0.000 0.436 510 Q N 1.695 121.281 119.800 -0.357 0.000 2.616 510 Q HA 0.275 4.615 4.340 -0.000 0.000 0.250 510 Q C -2.312 173.041 176.000 -1.077 0.000 0.991 510 Q CA -1.608 53.789 55.803 -0.676 0.000 0.707 510 Q CB 2.526 30.865 28.738 -0.666 0.000 1.247 510 Q HN 0.139 nan 8.270 nan 0.000 0.491 511 P HA 0.084 nan 4.420 nan 0.000 0.214 511 P C -0.774 176.204 177.300 -0.537 0.000 1.826 511 P CA -0.168 62.515 63.100 -0.694 0.000 0.977 511 P CB -0.522 30.967 31.700 -0.352 0.000 1.930 512 F N 2.614 122.418 119.950 -0.244 0.000 2.459 512 F HA 0.243 4.770 4.527 -0.000 0.000 0.346 512 F C -1.169 174.526 175.800 -0.176 0.000 1.128 512 F CA -2.565 55.335 58.000 -0.166 0.000 1.268 512 F CB -0.346 38.569 39.000 -0.140 0.000 1.161 512 F HN 0.073 nan 8.300 nan 0.000 0.583 513 P HA 0.076 nan 4.420 nan 0.000 0.268 513 P C 0.321 177.637 177.300 0.026 0.000 1.204 513 P CA 0.858 63.975 63.100 0.029 0.000 0.768 513 P CB 1.177 32.894 31.700 0.029 0.000 0.842 514 A N 3.010 125.832 122.820 0.004 0.000 2.617 514 A HA -0.253 4.067 4.320 -0.000 0.000 0.236 514 A C 0.723 178.306 177.584 -0.001 0.000 0.514 514 A CA 2.089 54.131 52.037 0.008 0.000 1.126 514 A CB -2.699 16.308 19.000 0.013 0.000 1.393 514 A HN 0.716 nan 8.150 nan 0.000 0.693 515 V N -3.221 116.693 119.914 -0.000 0.000 2.502 515 V HA 0.567 4.687 4.120 -0.000 0.000 0.261 515 V C -2.432 173.660 176.094 -0.004 0.000 0.996 515 V CA -1.205 61.093 62.300 -0.003 0.000 1.095 515 V CB 0.750 32.579 31.823 0.011 0.000 1.325 515 V HN 0.479 nan 8.190 nan 0.000 0.574 516 P HA 0.351 nan 4.420 nan 0.000 0.274 516 P C -0.755 176.099 177.300 -0.744 0.000 1.246 516 P CA -0.021 62.716 63.100 -0.606 0.000 0.795 516 P CB 1.054 31.981 31.700 -1.287 0.000 1.006 517 K N 1.650 121.620 120.400 -0.716 0.000 2.521 517 K HA 0.252 4.572 4.320 -0.000 0.000 0.248 517 K C -0.529 175.752 176.600 -0.532 0.000 0.978 517 K CA -0.282 55.747 56.287 -0.430 0.000 0.947 517 K CB 0.719 33.267 32.500 0.080 0.000 1.165 517 K HN 0.473 nan 8.250 nan 0.000 0.445 518 W N 1.390 122.376 121.300 -0.523 0.000 2.129 518 W HA 0.078 4.738 4.660 -0.000 0.000 0.349 518 W C 1.303 177.814 176.519 -0.012 0.000 1.279 518 W CA -0.685 56.451 57.345 -0.349 0.000 1.306 518 W CB 0.557 29.634 29.460 -0.640 0.000 1.140 518 W HN 0.409 nan 8.180 nan 0.000 0.613 519 S N 3.079 118.932 115.700 0.255 0.000 2.552 519 S HA -0.071 4.399 4.470 -0.000 0.000 0.289 519 S C 1.150 175.888 174.600 0.229 0.000 1.304 519 S CA -0.291 58.002 58.200 0.155 0.000 1.063 519 S CB 0.145 63.379 63.200 0.056 0.000 0.848 519 S HN 0.522 nan 8.310 nan 0.000 0.499 520 I N 2.351 123.025 120.570 0.172 0.000 2.454 520 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 520 I C 1.835 177.969 176.117 0.028 0.000 1.156 520 I CA 1.149 62.553 61.300 0.174 0.000 1.433 520 I CB -0.495 37.547 38.000 0.071 0.000 1.082 520 I HN 0.625 nan 8.210 nan 0.000 0.432 521 K N 2.052 122.375 120.400 -0.129 0.000 2.155 521 K HA -0.150 4.170 4.320 -0.000 0.000 0.203 521 K C 2.154 178.731 176.600 -0.038 0.000 1.052 521 K CA 1.524 57.655 56.287 -0.260 0.000 0.948 521 K CB -0.281 31.968 32.500 -0.417 0.000 0.728 521 K HN 0.451 nan 8.250 nan 0.000 0.448 522 K N 0.587 120.991 120.400 0.006 0.000 2.167 522 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 522 K C 1.865 178.463 176.600 -0.003 0.000 1.052 522 K CA 0.508 56.782 56.287 -0.022 0.000 0.956 522 K CB -0.060 32.394 32.500 -0.078 0.000 0.735 522 K HN 0.169 nan 8.250 nan 0.000 0.451 523 W N 2.021 123.278 121.300 -0.072 0.000 2.342 523 W HA -0.176 4.484 4.660 -0.000 0.000 0.297 523 W C 1.452 177.935 176.519 -0.061 0.000 1.213 523 W CA 1.200 58.514 57.345 -0.052 0.000 1.251 523 W CB -0.407 29.114 29.460 0.102 0.000 1.136 523 W HN 0.108 nan 8.180 nan 0.000 0.526 524 L N 0.765 122.138 121.223 0.250 0.000 2.191 524 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 524 L C 2.478 179.405 176.870 0.095 0.000 1.103 524 L CA 1.770 56.696 54.840 0.142 0.000 0.769 524 L CB -0.980 41.143 42.059 0.105 0.000 0.908 524 L HN -0.031 nan 8.230 nan 0.000 0.438 525 S N -0.928 114.806 115.700 0.058 0.000 2.575 525 S HA 0.158 4.628 4.470 -0.000 0.000 0.215 525 S C 0.766 175.343 174.600 -0.038 0.000 0.966 525 S CA -0.465 57.742 58.200 0.011 0.000 0.911 525 S CB -0.431 62.770 63.200 0.003 0.000 0.780 525 S HN 0.187 nan 8.310 nan 0.000 0.514 526 L N 2.146 123.333 121.223 -0.060 0.000 2.506 526 L HA 0.240 4.580 4.340 -0.000 0.000 0.281 526 L C -2.235 174.601 176.870 -0.056 0.000 1.228 526 L CA -1.725 53.041 54.840 -0.124 0.000 0.850 526 L CB -0.432 41.517 42.059 -0.184 0.000 1.110 526 L HN 0.039 nan 8.230 nan 0.000 0.496 527 P HA -0.000 nan 4.420 nan 0.000 0.258 527 P C 0.795 178.087 177.300 -0.015 0.000 1.187 527 P CA 0.917 63.993 63.100 -0.040 0.000 0.767 527 P CB 0.568 32.239 31.700 -0.048 0.000 0.770 528 G N 1.988 110.786 108.800 -0.004 0.000 2.199 528 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 528 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 528 G C 0.253 175.166 174.900 0.022 0.000 0.982 528 G CA -0.002 45.103 45.100 0.009 0.000 0.632 528 G HN 0.605 nan 8.290 nan 0.000 0.529 529 E N 1.139 121.357 120.200 0.031 0.000 2.338 529 E HA 0.587 4.937 4.350 -0.000 0.000 0.272 529 E C 1.378 177.999 176.600 0.037 0.000 1.029 529 E CA 0.641 57.072 56.400 0.051 0.000 0.872 529 E CB 0.836 30.593 29.700 0.095 0.000 1.015 529 E HN 0.561 nan 8.360 nan 0.000 0.417 530 T N 0.628 115.200 114.554 0.030 0.000 3.087 530 T HA 0.332 4.682 4.350 -0.000 0.000 0.283 530 T C 0.603 175.309 174.700 0.011 0.000 0.956 530 T CA -0.435 61.677 62.100 0.020 0.000 0.894 530 T CB 0.108 68.987 68.868 0.019 0.000 1.160 530 T HN 0.243 nan 8.240 nan 0.000 0.532 531 R N 2.168 122.670 120.500 0.004 0.000 2.707 531 R HA 0.469 4.809 4.340 -0.000 0.000 0.270 531 R C -2.542 173.736 176.300 -0.037 0.000 1.083 531 R CA -1.735 54.356 56.100 -0.015 0.000 1.182 531 R CB 0.038 30.322 30.300 -0.027 0.000 1.084 531 R HN 0.228 nan 8.270 nan 0.000 0.528 532 P HA 0.136 nan 4.420 nan 0.000 0.276 532 P C -1.118 176.110 177.300 -0.119 0.000 1.252 532 P CA -0.229 62.828 63.100 -0.072 0.000 0.802 532 P CB 0.659 32.317 31.700 -0.070 0.000 1.035 533 L N 2.052 123.186 121.223 -0.150 0.000 2.376 533 L HA 0.584 4.924 4.340 -0.000 0.000 0.275 533 L C -1.168 175.563 176.870 -0.232 0.000 0.987 533 L CA -0.566 54.146 54.840 -0.213 0.000 0.828 533 L CB 0.641 42.565 42.059 -0.225 0.000 1.249 533 L HN 0.222 nan 8.230 nan 0.000 0.409 534 I N 5.743 126.180 120.570 -0.221 0.000 2.500 534 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 534 I C -0.790 175.234 176.117 -0.154 0.000 1.063 534 I CA -0.556 60.606 61.300 -0.229 0.000 1.062 534 I CB 2.041 39.961 38.000 -0.134 0.000 1.223 534 I HN 0.482 nan 8.210 nan 0.000 0.435 535 L N 5.668 126.772 121.223 -0.198 0.000 2.410 535 L HA 0.052 4.392 4.340 -0.000 0.000 0.273 535 L C 1.501 178.439 176.870 0.115 0.000 1.144 535 L CA -0.184 54.601 54.840 -0.092 0.000 0.863 535 L CB 0.735 42.708 42.059 -0.143 0.000 1.140 535 L HN 0.870 nan 8.230 nan 0.000 0.463 536 C N 0.601 119.946 119.300 0.075 0.000 2.446 536 C HA 0.096 4.556 4.460 -0.000 0.000 0.279 536 C C 0.646 175.756 174.990 0.200 0.000 1.366 536 C CA -0.081 59.013 59.018 0.128 0.000 1.763 536 C CB -0.984 26.744 27.740 -0.021 0.000 1.929 536 C HN 0.825 nan 8.230 nan 0.000 0.509 537 E N -0.825 119.424 120.200 0.081 0.000 2.304 537 E HA 0.608 4.958 4.350 -0.000 0.000 0.277 537 E C -1.303 175.249 176.600 -0.081 0.000 0.898 537 E CA -0.396 56.045 56.400 0.070 0.000 0.764 537 E CB 1.834 31.412 29.700 -0.202 0.000 1.216 537 E HN 0.692 nan 8.360 nan 0.000 0.419 538 Y N -0.913 119.378 120.300 -0.014 0.000 2.670 538 Y HA 0.668 5.218 4.550 -0.000 0.000 0.334 538 Y C -0.595 175.473 175.900 0.280 0.000 1.185 538 Y CA -0.997 57.106 58.100 0.004 0.000 1.053 538 Y CB 1.025 39.367 38.460 -0.196 0.000 1.298 538 Y HN 0.653 nan 8.280 nan 0.000 0.459 539 A N 1.929 124.810 122.820 0.101 0.000 2.303 539 A HA -0.270 4.050 4.320 -0.000 0.000 0.286 539 A C -0.358 177.359 177.584 0.222 0.000 1.429 539 A CA 1.037 53.126 52.037 0.086 0.000 0.738 539 A CB -2.495 16.419 19.000 -0.143 0.000 1.149 539 A HN 1.058 nan 8.150 nan 0.000 0.364 540 H N 0.865 120.088 119.070 0.255 0.000 3.226 540 H HA 0.225 4.781 4.556 -0.000 0.000 0.260 540 H C 1.228 176.625 175.328 0.115 0.000 0.967 540 H CA 0.792 57.001 56.048 0.267 0.000 1.435 540 H CB 0.348 30.146 29.762 0.060 0.000 1.533 540 H HN 0.817 nan 8.280 nan 0.000 0.525 541 A N 6.439 129.195 122.820 -0.107 0.000 2.426 541 A HA 0.019 4.339 4.320 -0.000 0.000 0.247 541 A C 0.987 178.441 177.584 -0.217 0.000 1.389 541 A CA -0.290 51.648 52.037 -0.167 0.000 1.129 541 A CB -0.673 18.211 19.000 -0.194 0.000 0.928 541 A HN 0.793 nan 8.150 nan 0.000 0.557 542 M N 1.347 120.807 119.600 -0.232 0.000 2.156 542 M HA 0.432 4.912 4.480 -0.000 0.000 0.345 542 M C 0.976 177.125 176.300 -0.252 0.000 1.398 542 M CA 1.239 56.405 55.300 -0.223 0.000 1.148 542 M CB -0.324 32.190 32.600 -0.143 0.000 1.663 542 M HN 0.796 nan 8.290 nan 0.000 0.464 543 G N 4.327 112.956 108.800 -0.284 0.000 2.528 543 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.262 543 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.262 543 G C -0.280 174.156 174.900 -0.772 0.000 1.200 543 G CA -0.047 44.730 45.100 -0.538 0.000 0.951 543 G HN 0.817 nan 8.290 nan 0.000 0.566 544 N N 1.348 119.448 118.700 -1.000 0.000 2.421 544 N HA 0.525 5.265 4.740 -0.000 0.000 0.260 544 N C -0.007 175.247 175.510 -0.426 0.000 1.173 544 N CA 1.086 53.678 53.050 -0.764 0.000 0.960 544 N CB 0.527 38.573 38.487 -0.735 0.000 1.273 544 N HN 0.792 nan 8.380 nan 0.000 0.497 545 S N 1.911 117.441 115.700 -0.283 0.000 2.998 545 S HA 0.588 5.058 4.470 -0.000 0.000 0.321 545 S C -0.193 174.334 174.600 -0.122 0.000 1.171 545 S CA -0.396 57.695 58.200 -0.182 0.000 0.882 545 S CB 0.169 63.285 63.200 -0.141 0.000 1.301 545 S HN 0.396 nan 8.310 nan 0.000 0.629 546 L N 0.194 121.377 121.223 -0.067 0.000 4.613 546 L HA -0.067 4.273 4.340 -0.000 0.000 0.409 546 L C 0.460 177.361 176.870 0.052 0.000 1.100 546 L CA 0.894 55.714 54.840 -0.033 0.000 1.029 546 L CB -1.712 40.240 42.059 -0.178 0.000 2.137 546 L HN 0.702 nan 8.230 nan 0.000 0.713 547 G N -0.854 107.952 108.800 0.009 0.000 2.378 547 G HA2 0.487 4.447 3.960 -0.000 0.000 0.255 547 G HA3 0.487 4.447 3.960 -0.000 0.000 0.255 547 G C 1.211 176.162 174.900 0.086 0.000 1.270 547 G CA 0.150 45.238 45.100 -0.019 0.000 0.876 547 G HN 1.375 nan 8.290 nan 0.000 0.521 548 G N 1.584 110.440 108.800 0.092 0.000 2.175 548 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 548 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 548 G C 1.000 176.105 174.900 0.341 0.000 0.982 548 G CA 0.718 45.932 45.100 0.190 0.000 0.641 548 G HN 0.774 nan 8.290 nan 0.000 0.527 549 F N 1.872 121.950 119.950 0.214 0.000 2.126 549 F HA 0.118 4.645 4.527 -0.000 0.000 0.299 549 F C 2.669 178.692 175.800 0.371 0.000 1.096 549 F CA 2.551 60.745 58.000 0.322 0.000 1.255 549 F CB -0.439 38.679 39.000 0.197 0.000 0.997 549 F HN 0.351 nan 8.300 nan 0.000 0.479 550 A N -0.124 122.854 122.820 0.263 0.000 1.972 550 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 550 A C 2.298 179.901 177.584 0.032 0.000 1.169 550 A CA 1.622 53.743 52.037 0.141 0.000 0.635 550 A CB -0.665 18.427 19.000 0.152 0.000 0.810 550 A HN 0.408 nan 8.150 nan 0.000 0.446 551 K N -1.448 118.959 120.400 0.012 0.000 2.063 551 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 551 K C 1.810 178.192 176.600 -0.363 0.000 1.048 551 K CA 1.939 58.142 56.287 -0.139 0.000 0.928 551 K CB -0.385 32.008 32.500 -0.178 0.000 0.713 551 K HN 0.673 nan 8.250 nan 0.000 0.442 552 Y N -0.691 119.344 120.300 -0.441 0.000 2.145 552 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 552 Y C 2.173 177.144 175.900 -1.548 0.000 1.145 552 Y CA 1.361 58.848 58.100 -1.020 0.000 1.148 552 Y CB -0.396 37.468 38.460 -0.994 0.000 0.981 552 Y HN 0.169 nan 8.280 nan 0.000 0.507 553 W N 0.149 121.043 121.300 -0.676 0.000 2.374 553 W HA -0.192 4.468 4.660 -0.000 0.000 0.288 553 W C 2.593 178.933 176.519 -0.298 0.000 1.218 553 W CA 1.585 58.647 57.345 -0.472 0.000 1.245 553 W CB -0.547 28.723 29.460 -0.318 0.000 1.126 553 W HN 0.112 nan 8.180 nan 0.000 0.545 554 Q N -0.028 119.674 119.800 -0.164 0.000 2.079 554 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 554 Q C 2.330 178.259 176.000 -0.118 0.000 0.974 554 Q CA 1.689 57.440 55.803 -0.088 0.000 0.840 554 Q CB -0.332 28.369 28.738 -0.062 0.000 0.898 554 Q HN 0.258 nan 8.270 nan 0.000 0.430 555 A N 0.152 122.807 122.820 -0.275 0.000 1.902 555 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 555 A C 1.828 179.366 177.584 -0.076 0.000 1.181 555 A CA 1.025 52.938 52.037 -0.207 0.000 0.623 555 A CB -1.001 17.751 19.000 -0.414 0.000 0.818 555 A HN 0.471 nan 8.150 nan 0.000 0.443 556 F N -0.591 119.185 119.950 -0.290 0.000 2.161 556 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 556 F C 2.719 178.421 175.800 -0.164 0.000 1.089 556 F CA 1.084 58.884 58.000 -0.333 0.000 1.282 556 F CB -0.134 38.461 39.000 -0.674 0.000 1.010 556 F HN 0.143 nan 8.300 nan 0.000 0.485 557 R N -0.001 120.556 120.500 0.097 0.000 2.148 557 R HA -0.149 4.191 4.340 -0.000 0.000 0.223 557 R C 2.113 178.451 176.300 0.064 0.000 1.088 557 R CA 1.005 57.150 56.100 0.075 0.000 0.985 557 R CB -0.247 30.093 30.300 0.066 0.000 0.880 557 R HN 0.374 nan 8.270 nan 0.000 0.451 558 Q N -0.572 119.293 119.800 0.109 0.000 2.302 558 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 558 Q C -0.560 175.470 176.000 0.051 0.000 0.936 558 Q CA 0.699 56.555 55.803 0.089 0.000 0.886 558 Q CB 0.473 29.287 28.738 0.127 0.000 0.986 558 Q HN 0.167 nan 8.270 nan 0.000 0.487 559 Y N 0.114 120.396 120.300 -0.030 0.000 2.331 559 Y HA 0.297 4.847 4.550 -0.000 0.000 0.338 559 Y C -1.800 174.076 175.900 -0.039 0.000 0.976 559 Y CA -2.859 55.223 58.100 -0.030 0.000 1.137 559 Y CB 1.513 39.959 38.460 -0.024 0.000 1.172 559 Y HN 0.082 nan 8.280 nan 0.000 0.478 560 P HA -0.150 nan 4.420 nan 0.000 0.215 560 P C 1.110 178.415 177.300 0.009 0.000 1.157 560 P CA 1.756 64.865 63.100 0.015 0.000 0.868 560 P CB 0.323 32.015 31.700 -0.014 0.000 0.788 561 R N -0.948 119.574 120.500 0.037 0.000 2.339 561 R HA 0.089 4.429 4.340 -0.000 0.000 0.199 561 R C 0.423 176.703 176.300 -0.034 0.000 1.018 561 R CA 0.196 56.297 56.100 0.001 0.000 1.036 561 R CB -0.539 29.770 30.300 0.015 0.000 0.899 561 R HN 0.280 nan 8.270 nan 0.000 0.473 562 L N 1.981 123.199 121.223 -0.010 0.000 2.302 562 L HA 0.147 4.487 4.340 -0.000 0.000 0.285 562 L C 0.723 177.453 176.870 -0.234 0.000 1.090 562 L CA 0.061 54.849 54.840 -0.087 0.000 0.866 562 L CB 1.180 43.260 42.059 0.034 0.000 1.244 562 L HN 0.035 nan 8.230 nan 0.000 0.435 563 Q N 2.683 122.280 119.800 -0.339 0.000 2.222 563 Q HA 0.309 4.649 4.340 -0.000 0.000 0.206 563 Q C 0.854 176.447 176.000 -0.677 0.000 0.877 563 Q CA 0.126 55.689 55.803 -0.400 0.000 0.958 563 Q CB 0.942 29.531 28.738 -0.248 0.000 1.075 563 Q HN 0.938 nan 8.270 nan 0.000 0.483 564 G N -0.388 107.650 108.800 -1.271 0.000 2.337 564 G HA2 0.170 4.130 3.960 -0.000 0.000 0.197 564 G HA3 0.170 4.130 3.960 -0.000 0.000 0.197 564 G C -0.435 173.681 174.900 -1.308 0.000 1.238 564 G CA -0.738 43.297 45.100 -1.775 0.000 1.119 564 G HN 0.524 nan 8.290 nan 0.000 0.514 565 G N -2.166 106.122 108.800 -0.852 0.000 2.342 565 G HA2 0.651 4.611 3.960 -0.000 0.000 0.297 565 G HA3 0.651 4.611 3.960 -0.000 0.000 0.297 565 G C -1.934 172.866 174.900 -0.166 0.000 1.313 565 G CA -0.351 44.465 45.100 -0.473 0.000 0.830 565 G HN 1.124 nan 8.290 nan 0.000 0.506 566 F N 0.615 120.796 119.950 0.385 0.000 2.460 566 F HA 0.532 5.059 4.527 -0.000 0.000 0.341 566 F C 0.725 176.818 175.800 0.488 0.000 1.130 566 F CA -0.754 57.502 58.000 0.426 0.000 0.962 566 F CB 2.115 41.267 39.000 0.254 0.000 1.171 566 F HN 0.260 nan 8.300 nan 0.000 0.436 567 V N 3.081 123.307 119.914 0.519 0.000 2.963 567 V HA -0.092 4.028 4.120 -0.000 0.000 0.306 567 V C -0.319 175.955 176.094 0.300 0.000 1.077 567 V CA -0.332 62.090 62.300 0.203 0.000 1.124 567 V CB 0.942 32.864 31.823 0.165 0.000 0.987 567 V HN 0.779 nan 8.190 nan 0.000 0.487 568 W N 5.993 127.368 121.300 0.126 0.000 2.336 568 W HA 0.468 5.128 4.660 -0.000 0.000 0.315 568 W C -1.048 175.490 176.519 0.031 0.000 1.016 568 W CA -0.686 56.765 57.345 0.176 0.000 1.318 568 W CB 1.431 31.139 29.460 0.413 0.000 1.247 568 W HN 0.916 nan 8.180 nan 0.000 0.414 569 D N 2.647 122.719 120.400 -0.548 0.000 2.812 569 D HA 0.123 4.763 4.640 -0.000 0.000 0.318 569 D C 0.676 176.761 176.300 -0.358 0.000 1.234 569 D CA -0.557 53.013 54.000 -0.716 0.000 0.989 569 D CB 0.283 40.126 40.800 -1.594 0.000 1.442 569 D HN 0.411 nan 8.370 nan 0.000 0.537 570 W N 0.570 121.563 121.300 -0.512 0.000 2.381 570 W HA 0.080 4.740 4.660 -0.000 0.000 0.321 570 W C -0.124 176.169 176.519 -0.377 0.000 1.196 570 W CA 1.361 58.459 57.345 -0.411 0.000 1.304 570 W CB 0.196 29.444 29.460 -0.354 0.000 1.166 570 W HN 0.224 nan 8.180 nan 0.000 0.473 571 V N 0.804 120.526 119.914 -0.320 0.000 2.715 571 V HA 0.295 4.415 4.120 -0.000 0.000 0.310 571 V C -0.537 175.359 176.094 -0.330 0.000 1.054 571 V CA -1.125 60.917 62.300 -0.430 0.000 0.928 571 V CB 1.321 33.013 31.823 -0.218 0.000 1.007 571 V HN -0.125 nan 8.190 nan 0.000 0.437 572 D N 2.060 122.270 120.400 -0.317 0.000 2.455 572 D HA 0.129 4.769 4.640 -0.000 0.000 0.241 572 D C 0.193 176.345 176.300 -0.248 0.000 1.138 572 D CA 0.535 54.403 54.000 -0.220 0.000 0.877 572 D CB 1.062 41.816 40.800 -0.076 0.000 1.187 572 D HN 0.651 nan 8.370 nan 0.000 0.451 573 Q N 1.167 120.773 119.800 -0.322 0.000 3.135 573 Q HA 0.162 4.502 4.340 -0.000 0.000 0.344 573 Q C -0.366 175.631 176.000 -0.005 0.000 1.321 573 Q CA -0.374 55.070 55.803 -0.598 0.000 1.050 573 Q CB 0.198 28.634 28.738 -0.503 0.000 1.498 573 Q HN 0.350 nan 8.270 nan 0.000 0.503 574 S N -0.068 115.731 115.700 0.165 0.000 2.565 574 S HA 0.669 5.139 4.470 -0.000 0.000 0.290 574 S C -0.227 174.558 174.600 0.307 0.000 1.150 574 S CA -0.821 57.573 58.200 0.323 0.000 1.058 574 S CB 1.611 64.971 63.200 0.267 0.000 1.032 574 S HN 0.328 nan 8.310 nan 0.000 0.510 575 L N 1.796 123.133 121.223 0.190 0.000 2.334 575 L HA 0.573 4.913 4.340 -0.000 0.000 0.273 575 L C -0.377 176.419 176.870 -0.123 0.000 1.013 575 L CA -1.065 53.754 54.840 -0.035 0.000 0.816 575 L CB 1.547 43.454 42.059 -0.253 0.000 1.278 575 L HN 0.646 nan 8.230 nan 0.000 0.431 576 I N 2.273 122.712 120.570 -0.219 0.000 2.474 576 I HA 0.200 4.370 4.170 -0.000 0.000 0.287 576 I C 0.072 175.836 176.117 -0.588 0.000 1.048 576 I CA 0.200 61.253 61.300 -0.412 0.000 1.383 576 I CB 0.735 38.508 38.000 -0.379 0.000 1.412 576 I HN 0.525 nan 8.210 nan 0.000 0.531 577 K N 4.797 124.563 120.400 -1.056 0.000 2.433 577 K HA 0.585 4.905 4.320 -0.000 0.000 0.252 577 K C -1.745 174.089 176.600 -1.277 0.000 1.015 577 K CA -0.865 54.729 56.287 -1.155 0.000 0.860 577 K CB 2.344 33.859 32.500 -1.641 0.000 1.359 577 K HN 0.249 nan 8.250 nan 0.000 0.452 578 Y N 0.402 120.458 120.300 -0.406 0.000 2.499 578 Y HA 0.184 4.734 4.550 -0.000 0.000 0.347 578 Y C -0.153 175.861 175.900 0.189 0.000 0.987 578 Y CA -1.227 56.830 58.100 -0.072 0.000 1.044 578 Y CB 1.357 39.789 38.460 -0.046 0.000 1.245 578 Y HN 0.630 nan 8.280 nan 0.000 0.461 579 D N -0.269 120.395 120.400 0.440 0.000 2.340 579 D HA 0.163 4.803 4.640 -0.000 0.000 0.251 579 D C 0.480 176.894 176.300 0.189 0.000 1.080 579 D CA -0.659 53.520 54.000 0.298 0.000 0.971 579 D CB 0.987 41.899 40.800 0.186 0.000 1.137 579 D HN 0.562 nan 8.370 nan 0.000 0.475 580 E N 0.434 120.702 120.200 0.114 0.000 2.253 580 E HA -0.248 4.102 4.350 -0.000 0.000 0.202 580 E C 0.660 177.294 176.600 0.057 0.000 1.014 580 E CA 1.397 57.836 56.400 0.066 0.000 0.823 580 E CB -0.612 29.111 29.700 0.037 0.000 0.736 580 E HN 0.431 nan 8.360 nan 0.000 0.478 581 N N 0.266 119.010 118.700 0.073 0.000 2.370 581 N HA 0.109 4.849 4.740 -0.000 0.000 0.198 581 N C 0.702 176.258 175.510 0.076 0.000 1.156 581 N CA 0.817 53.904 53.050 0.061 0.000 0.839 581 N CB 0.745 39.264 38.487 0.053 0.000 0.989 581 N HN 0.345 nan 8.380 nan 0.000 0.468 582 G N 1.063 109.925 108.800 0.103 0.000 2.221 582 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.265 582 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.265 582 G C -0.396 174.659 174.900 0.258 0.000 1.041 582 G CA -0.306 44.858 45.100 0.107 0.000 0.807 582 G HN 0.272 nan 8.290 nan 0.000 0.502 583 N N 1.166 120.039 118.700 0.289 0.000 2.438 583 N HA 0.514 5.254 4.740 -0.000 0.000 0.282 583 N C -2.528 173.143 175.510 0.267 0.000 1.037 583 N CA -1.419 51.789 53.050 0.262 0.000 0.942 583 N CB 2.172 40.762 38.487 0.173 0.000 1.136 583 N HN 0.145 nan 8.380 nan 0.000 0.481 584 P HA 0.361 nan 4.420 nan 0.000 0.288 584 P C -0.569 176.670 177.300 -0.102 0.000 1.267 584 P CA -0.451 62.413 63.100 -0.393 0.000 0.815 584 P CB 0.841 32.297 31.700 -0.407 0.000 0.989 585 W N -0.283 120.746 121.300 -0.451 0.000 3.083 585 W HA 0.472 5.132 4.660 -0.000 0.000 0.333 585 W C -1.412 174.919 176.519 -0.313 0.000 1.217 585 W CA -1.125 55.977 57.345 -0.406 0.000 1.170 585 W CB 0.443 29.461 29.460 -0.737 0.000 1.437 585 W HN 0.096 nan 8.180 nan 0.000 0.557 586 S N 1.493 117.284 115.700 0.151 0.000 2.474 586 S HA 0.556 5.026 4.470 -0.000 0.000 0.276 586 S C 0.124 174.917 174.600 0.321 0.000 1.227 586 S CA -0.210 58.077 58.200 0.145 0.000 1.050 586 S CB 0.671 63.998 63.200 0.212 0.000 0.939 586 S HN 0.589 nan 8.310 nan 0.000 0.490 587 A N 3.260 126.127 122.820 0.077 0.000 2.340 587 A HA 0.867 5.186 4.320 -0.000 0.000 0.331 587 A C -0.743 177.119 177.584 0.463 0.000 1.140 587 A CA -0.726 51.392 52.037 0.134 0.000 0.801 587 A CB 0.670 19.472 19.000 -0.330 0.000 1.234 587 A HN 0.840 nan 8.150 nan 0.000 0.469 588 Y N -0.552 120.083 120.300 0.559 0.000 2.857 588 Y HA 0.771 5.321 4.550 -0.000 0.000 0.318 588 Y C 0.601 176.851 175.900 0.582 0.000 1.313 588 Y CA -1.433 56.976 58.100 0.515 0.000 1.117 588 Y CB 0.015 38.600 38.460 0.209 0.000 1.344 588 Y HN 0.946 nan 8.280 nan 0.000 0.525 589 G N 0.006 109.165 108.800 0.598 0.000 2.224 589 G HA2 0.360 4.320 3.960 -0.000 0.000 0.239 589 G HA3 0.360 4.320 3.960 -0.000 0.000 0.239 589 G C 0.985 176.211 174.900 0.544 0.000 1.240 589 G CA 0.490 45.878 45.100 0.479 0.000 0.896 589 G HN 2.020 nan 8.290 nan 0.000 0.496 590 G N 2.187 111.278 108.800 0.486 0.000 2.225 590 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.254 590 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.254 590 G C 0.914 176.019 174.900 0.341 0.000 0.988 590 G CA 0.712 46.036 45.100 0.374 0.000 0.625 590 G HN 0.656 nan 8.290 nan 0.000 0.527 591 D N -0.283 120.343 120.400 0.377 0.000 2.371 591 D HA 0.143 4.783 4.640 -0.000 0.000 0.221 591 D C 1.315 177.497 176.300 -0.197 0.000 0.986 591 D CA 0.546 54.602 54.000 0.094 0.000 0.899 591 D CB -0.189 40.608 40.800 -0.006 0.000 0.902 591 D HN 0.480 nan 8.370 nan 0.000 0.530 592 F N -1.021 119.050 119.950 0.203 0.000 2.683 592 F HA 0.313 4.840 4.527 -0.000 0.000 0.306 592 F C 1.771 177.655 175.800 0.140 0.000 1.102 592 F CA -0.174 57.907 58.000 0.135 0.000 1.244 592 F CB 0.722 39.796 39.000 0.124 0.000 1.029 592 F HN -0.058 nan 8.300 nan 0.000 0.545 593 G N 0.547 109.513 108.800 0.276 0.000 2.159 593 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.256 593 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.256 593 G C -0.158 174.882 174.900 0.234 0.000 0.977 593 G CA 0.134 45.360 45.100 0.210 0.000 0.652 593 G HN 0.423 nan 8.290 nan 0.000 0.531 594 D N 0.746 121.336 120.400 0.317 0.000 2.450 594 D HA 0.406 5.046 4.640 -0.000 0.000 0.247 594 D C -0.091 176.336 176.300 0.211 0.000 1.162 594 D CA 0.695 54.871 54.000 0.293 0.000 0.879 594 D CB 1.059 42.093 40.800 0.389 0.000 1.163 594 D HN 0.086 nan 8.370 nan 0.000 0.472 595 T N 2.838 117.488 114.554 0.160 0.000 2.971 595 T HA 0.451 4.801 4.350 -0.000 0.000 0.304 595 T C -2.369 172.374 174.700 0.071 0.000 1.038 595 T CA -0.979 61.183 62.100 0.104 0.000 1.007 595 T CB 1.965 70.889 68.868 0.093 0.000 1.055 595 T HN 0.400 nan 8.240 nan 0.000 0.451 596 P HA 0.501 nan 4.420 nan 0.000 0.278 596 P C -1.095 176.193 177.300 -0.021 0.000 1.258 596 P CA -0.692 62.407 63.100 -0.001 0.000 0.811 596 P CB 0.846 32.518 31.700 -0.047 0.000 1.063 597 N N -0.549 118.146 118.700 -0.008 0.000 2.571 597 N HA 0.201 4.941 4.740 -0.000 0.000 0.273 597 N C -1.016 174.471 175.510 -0.040 0.000 1.340 597 N CA -0.562 52.474 53.050 -0.023 0.000 0.789 597 N CB 1.638 40.205 38.487 0.133 0.000 1.514 597 N HN 0.230 nan 8.380 nan 0.000 0.499 598 D N -0.142 120.229 120.400 -0.047 0.000 2.593 598 D HA 0.124 4.764 4.640 -0.000 0.000 0.241 598 D C 0.570 177.104 176.300 0.390 0.000 1.257 598 D CA -0.190 53.858 54.000 0.080 0.000 0.828 598 D CB 1.040 41.746 40.800 -0.156 0.000 1.049 598 D HN 0.648 nan 8.370 nan 0.000 0.490 599 R N 0.347 121.053 120.500 0.344 0.000 3.682 599 R HA -0.374 3.966 4.340 -0.000 0.000 0.519 599 R C 0.991 177.284 176.300 -0.012 0.000 0.241 599 R CA 1.496 57.766 56.100 0.284 0.000 1.619 599 R CB -1.401 28.993 30.300 0.155 0.000 0.923 599 R HN 0.012 nan 8.270 nan 0.000 0.598 600 Q N 0.638 120.122 119.800 -0.526 0.000 2.437 600 Q HA 0.095 4.435 4.340 -0.000 0.000 0.210 600 Q C 1.832 177.536 176.000 -0.493 0.000 0.972 600 Q CA 1.749 57.080 55.803 -0.787 0.000 0.903 600 Q CB -0.251 27.899 28.738 -0.979 0.000 0.967 600 Q HN 0.458 nan 8.270 nan 0.000 0.486 601 F N 0.508 120.344 119.950 -0.189 0.000 2.323 601 F HA -0.247 4.280 4.527 -0.000 0.000 0.301 601 F C 1.909 177.641 175.800 -0.113 0.000 1.060 601 F CA 1.014 58.993 58.000 -0.034 0.000 1.398 601 F CB -0.460 38.597 39.000 0.094 0.000 1.075 601 F HN 0.338 nan 8.300 nan 0.000 0.540 602 C N -1.573 117.446 119.300 -0.468 0.000 2.562 602 C HA 0.231 4.691 4.460 -0.000 0.000 0.266 602 C C 0.993 175.789 174.990 -0.324 0.000 1.382 602 C CA -0.531 58.062 59.018 -0.709 0.000 1.742 602 C CB -1.621 25.157 27.740 -1.604 0.000 1.812 602 C HN 0.200 nan 8.230 nan 0.000 0.559 603 M N 2.948 122.400 119.600 -0.247 0.000 2.060 603 M HA 0.346 4.826 4.480 -0.000 0.000 0.342 603 M C -0.527 175.666 176.300 -0.179 0.000 1.031 603 M CA 0.216 55.408 55.300 -0.181 0.000 0.981 603 M CB 0.544 33.069 32.600 -0.126 0.000 1.376 603 M HN 0.179 nan 8.290 nan 0.000 0.397 604 N N 1.530 120.121 118.700 -0.181 0.000 2.307 604 N HA 0.195 4.935 4.740 -0.000 0.000 0.248 604 N C 0.119 175.435 175.510 -0.324 0.000 1.322 604 N CA -0.099 52.809 53.050 -0.236 0.000 0.861 604 N CB 1.394 39.827 38.487 -0.090 0.000 1.303 604 N HN 0.705 nan 8.380 nan 0.000 0.498 605 G N -0.251 108.320 108.800 -0.382 0.000 2.502 605 G HA2 0.485 4.445 3.960 -0.000 0.000 0.305 605 G HA3 0.485 4.445 3.960 -0.000 0.000 0.305 605 G C 0.820 175.288 174.900 -0.720 0.000 1.190 605 G CA -0.498 44.282 45.100 -0.533 0.000 0.933 605 G HN 0.115 nan 8.290 nan 0.000 0.503 606 L N -0.312 120.492 121.223 -0.699 0.000 2.509 606 L HA 0.162 4.502 4.340 -0.000 0.000 0.222 606 L C 0.684 176.957 176.870 -0.995 0.000 1.123 606 L CA 0.239 54.670 54.840 -0.682 0.000 0.856 606 L CB -0.105 41.700 42.059 -0.425 0.000 0.985 606 L HN 0.376 nan 8.230 nan 0.000 0.456 607 V N -5.064 114.148 119.914 -1.170 0.000 2.962 607 V HA 0.470 4.590 4.120 -0.000 0.000 0.313 607 V C -0.371 175.234 176.094 -0.814 0.000 1.099 607 V CA -1.219 60.494 62.300 -0.979 0.000 0.971 607 V CB 1.680 32.977 31.823 -0.876 0.000 1.028 607 V HN -0.132 nan 8.190 nan 0.000 0.430 608 F N 1.681 121.459 119.950 -0.287 0.000 2.444 608 F HA 0.531 5.058 4.527 -0.000 0.000 0.331 608 F C 1.974 177.682 175.800 -0.152 0.000 1.167 608 F CA 0.511 58.470 58.000 -0.068 0.000 1.262 608 F CB 1.251 40.254 39.000 0.006 0.000 1.196 608 F HN 0.819 nan 8.300 nan 0.000 0.583 609 A N 1.083 123.992 122.820 0.147 0.000 2.042 609 A HA -0.286 4.034 4.320 -0.000 0.000 0.222 609 A C 1.531 179.090 177.584 -0.041 0.000 1.167 609 A CA 2.150 54.215 52.037 0.047 0.000 0.649 609 A CB -1.117 17.950 19.000 0.112 0.000 0.809 609 A HN 0.849 nan 8.150 nan 0.000 0.457 610 D N -3.268 117.127 120.400 -0.008 0.000 2.340 610 D HA 0.202 4.842 4.640 -0.000 0.000 0.220 610 D C 0.606 176.886 176.300 -0.034 0.000 1.039 610 D CA -0.018 53.950 54.000 -0.053 0.000 0.866 610 D CB -0.059 40.713 40.800 -0.047 0.000 0.913 610 D HN 0.208 nan 8.370 nan 0.000 0.523 611 R N -0.998 119.474 120.500 -0.045 0.000 3.774 611 R HA -0.123 4.217 4.340 -0.000 0.000 0.320 611 R C -0.503 175.779 176.300 -0.030 0.000 1.175 611 R CA 1.138 57.192 56.100 -0.076 0.000 0.849 611 R CB -3.278 27.012 30.300 -0.017 0.000 1.365 611 R HN 0.566 nan 8.270 nan 0.000 0.502 612 T N -2.539 112.047 114.554 0.054 0.000 2.824 612 T HA 0.724 5.074 4.350 -0.000 0.000 0.280 612 T C -2.570 172.256 174.700 0.209 0.000 0.995 612 T CA -2.464 59.710 62.100 0.124 0.000 1.009 612 T CB 2.535 71.472 68.868 0.115 0.000 0.955 612 T HN -0.207 nan 8.240 nan 0.000 0.452 613 P HA 0.165 nan 4.420 nan 0.000 0.268 613 P C -0.155 177.188 177.300 0.072 0.000 1.204 613 P CA -0.093 62.996 63.100 -0.018 0.000 0.768 613 P CB 0.158 31.858 31.700 -0.001 0.000 0.842 614 H N 3.793 122.668 119.070 -0.326 0.000 2.505 614 H HA 0.132 4.688 4.556 -0.000 0.000 0.355 614 H C -1.170 174.057 175.328 -0.169 0.000 1.179 614 H CA -2.018 53.825 56.048 -0.341 0.000 1.343 614 H CB 0.708 30.232 29.762 -0.397 0.000 1.501 614 H HN 0.325 nan 8.280 nan 0.000 0.569 615 P HA -0.124 nan 4.420 nan 0.000 0.220 615 P C 1.166 178.462 177.300 -0.006 0.000 1.148 615 P CA 1.122 64.211 63.100 -0.018 0.000 0.803 615 P CB -0.016 31.664 31.700 -0.033 0.000 0.782 616 A N -0.030 122.788 122.820 -0.004 0.000 2.024 616 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 616 A C 2.092 179.624 177.584 -0.087 0.000 1.164 616 A CA 1.324 53.325 52.037 -0.061 0.000 0.643 616 A CB -1.647 17.293 19.000 -0.099 0.000 0.806 616 A HN 0.186 nan 8.150 nan 0.000 0.451 617 L N -0.106 121.084 121.223 -0.055 0.000 2.127 617 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 617 L C 2.352 179.254 176.870 0.053 0.000 1.089 617 L CA 2.655 57.490 54.840 -0.008 0.000 0.757 617 L CB -0.774 41.278 42.059 -0.012 0.000 0.899 617 L HN 0.387 nan 8.230 nan 0.000 0.434 618 T N -1.356 113.236 114.554 0.063 0.000 2.904 618 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 618 T C 1.692 176.486 174.700 0.158 0.000 1.059 618 T CA 1.266 63.458 62.100 0.153 0.000 1.137 618 T CB -0.117 68.830 68.868 0.132 0.000 0.879 618 T HN 0.346 nan 8.240 nan 0.000 0.467 619 E N 1.678 121.915 120.200 0.062 0.000 2.077 619 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 619 E C 2.268 178.872 176.600 0.008 0.000 0.989 619 E CA 1.257 57.697 56.400 0.066 0.000 0.800 619 E CB -0.524 29.186 29.700 0.016 0.000 0.746 619 E HN 0.428 nan 8.360 nan 0.000 0.452 620 A N 1.024 123.743 122.820 -0.169 0.000 1.902 620 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 620 A C 2.172 179.647 177.584 -0.181 0.000 1.181 620 A CA 1.982 53.885 52.037 -0.224 0.000 0.623 620 A CB -0.652 18.202 19.000 -0.243 0.000 0.818 620 A HN 0.275 nan 8.150 nan 0.000 0.443 621 K N -1.312 119.050 120.400 -0.063 0.000 2.063 621 K HA -0.276 4.044 4.320 -0.000 0.000 0.208 621 K C 2.067 178.562 176.600 -0.176 0.000 1.048 621 K CA 1.946 58.201 56.287 -0.054 0.000 0.928 621 K CB -0.325 32.281 32.500 0.177 0.000 0.713 621 K HN 0.644 nan 8.250 nan 0.000 0.442 622 H N 0.467 119.344 119.070 -0.321 0.000 2.299 622 H HA -0.007 4.549 4.556 -0.000 0.000 0.302 622 H C 1.969 177.013 175.328 -0.474 0.000 1.078 622 H CA 1.726 57.398 56.048 -0.626 0.000 1.323 622 H CB -0.004 29.388 29.762 -0.617 0.000 1.381 622 H HN 0.206 nan 8.280 nan 0.000 0.498 623 Q N 0.337 119.841 119.800 -0.493 0.000 2.226 623 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 623 Q C 1.631 177.096 176.000 -0.892 0.000 0.975 623 Q CA 1.344 56.786 55.803 -0.603 0.000 0.866 623 Q CB -0.052 28.476 28.738 -0.350 0.000 0.915 623 Q HN 0.718 nan 8.270 nan 0.000 0.440 624 Q N 0.886 120.138 119.800 -0.914 0.000 2.320 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.201 624 Q C 0.181 175.628 176.000 -0.921 0.000 0.910 624 Q CA -0.268 54.851 55.803 -1.141 0.000 0.946 624 Q CB 0.192 28.286 28.738 -1.073 0.000 1.062 624 Q HN 0.425 nan 8.270 nan 0.000 0.503 625 Q N -0.534 118.867 119.800 -0.665 0.000 2.428 625 Q HA -0.031 4.309 4.340 -0.000 0.000 0.276 625 Q C -0.354 175.292 176.000 -0.591 0.000 1.059 625 Q CA 0.266 55.790 55.803 -0.465 0.000 0.923 625 Q CB 0.411 29.015 28.738 -0.223 0.000 1.283 625 Q HN 0.177 nan 8.270 nan 0.000 0.447 626 F N 0.365 120.067 119.950 -0.414 0.000 2.797 626 F HA 0.289 4.816 4.527 -0.000 0.000 0.302 626 F C -0.236 175.003 175.800 -0.935 0.000 1.130 626 F CA -0.065 57.463 58.000 -0.787 0.000 1.387 626 F CB 0.373 38.557 39.000 -1.360 0.000 1.107 626 F HN 0.347 nan 8.300 nan 0.000 0.577 627 F N 0.181 120.057 119.950 -0.123 0.000 2.520 627 F HA 0.481 5.008 4.527 -0.000 0.000 0.322 627 F C -0.095 175.390 175.800 -0.526 0.000 1.103 627 F CA -1.045 56.789 58.000 -0.277 0.000 0.926 627 F CB 1.347 40.198 39.000 -0.249 0.000 1.154 627 F HN -0.319 nan 8.300 nan 0.000 0.453 628 Q N 3.049 122.599 119.800 -0.417 0.000 2.377 628 Q HA 0.552 4.892 4.340 -0.000 0.000 0.271 628 Q C -1.456 174.199 176.000 -0.576 0.000 1.077 628 Q CA -0.703 54.850 55.803 -0.416 0.000 0.820 628 Q CB 3.151 31.792 28.738 -0.161 0.000 1.347 628 Q HN 0.552 nan 8.270 nan 0.000 0.444 629 F N 0.222 120.297 119.950 0.209 0.000 2.546 629 F HA 0.598 5.125 4.527 -0.000 0.000 0.320 629 F C 0.390 176.417 175.800 0.379 0.000 1.076 629 F CA -0.841 57.351 58.000 0.321 0.000 0.928 629 F CB 2.124 41.422 39.000 0.497 0.000 1.189 629 F HN 0.123 nan 8.300 nan 0.000 0.465 630 R N 1.731 122.536 120.500 0.510 0.000 2.686 630 R HA 0.654 4.994 4.340 -0.000 0.000 0.283 630 R C -2.008 174.360 176.300 0.113 0.000 0.978 630 R CA -1.191 55.110 56.100 0.335 0.000 0.897 630 R CB 2.687 33.090 30.300 0.170 0.000 1.192 630 R HN 0.591 nan 8.270 nan 0.000 0.457 631 L N 1.345 122.505 121.223 -0.104 0.000 2.305 631 L HA 0.473 4.813 4.340 -0.000 0.000 0.284 631 L C -1.025 175.688 176.870 -0.262 0.000 1.013 631 L CA 0.170 54.724 54.840 -0.476 0.000 0.819 631 L CB 1.958 43.280 42.059 -1.228 0.000 1.227 631 L HN 0.458 nan 8.230 nan 0.000 0.417 632 S N 3.715 119.291 115.700 -0.207 0.000 2.774 632 S HA 0.688 5.158 4.470 -0.000 0.000 0.297 632 S C 0.407 174.922 174.600 -0.142 0.000 1.143 632 S CA 0.206 58.325 58.200 -0.135 0.000 1.090 632 S CB 0.379 63.534 63.200 -0.075 0.000 1.019 632 S HN 1.379 nan 8.310 nan 0.000 0.482 633 G N 4.197 112.911 108.800 -0.143 0.000 2.601 633 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.306 633 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.306 633 G C 0.389 175.187 174.900 -0.170 0.000 1.172 633 G CA 0.566 45.587 45.100 -0.132 0.000 0.966 633 G HN 0.623 nan 8.290 nan 0.000 0.542 634 Q N 1.128 120.834 119.800 -0.157 0.000 2.194 634 Q HA 0.214 4.554 4.340 -0.000 0.000 0.214 634 Q C 0.058 175.936 176.000 -0.203 0.000 0.838 634 Q CA 0.638 56.329 55.803 -0.187 0.000 0.972 634 Q CB 1.060 29.707 28.738 -0.151 0.000 1.131 634 Q HN 0.554 nan 8.270 nan 0.000 0.498 635 T N 1.191 115.639 114.554 -0.178 0.000 2.767 635 T HA 0.517 4.867 4.350 -0.000 0.000 0.284 635 T C 0.135 174.735 174.700 -0.166 0.000 0.973 635 T CA -0.289 61.722 62.100 -0.148 0.000 0.996 635 T CB 1.400 70.212 68.868 -0.094 0.000 0.927 635 T HN 0.020 nan 8.240 nan 0.000 0.456 636 I N 2.606 123.099 120.570 -0.128 0.000 2.359 636 I HA 0.311 4.481 4.170 -0.000 0.000 0.294 636 I C 0.479 176.627 176.117 0.051 0.000 0.987 636 I CA -0.611 60.647 61.300 -0.070 0.000 1.225 636 I CB 1.427 39.416 38.000 -0.017 0.000 1.366 636 I HN 0.615 nan 8.210 nan 0.000 0.466 637 E N 6.580 126.840 120.200 0.101 0.000 2.133 637 E HA 0.434 4.784 4.350 -0.000 0.000 0.274 637 E C -1.540 175.167 176.600 0.178 0.000 0.930 637 E CA -0.600 55.869 56.400 0.114 0.000 0.770 637 E CB 1.574 31.319 29.700 0.075 0.000 1.104 637 E HN 0.339 nan 8.360 nan 0.000 0.403 638 V N 4.079 124.079 119.914 0.143 0.000 2.427 638 V HA 0.347 4.467 4.120 -0.000 0.000 0.286 638 V C -0.000 176.114 176.094 0.035 0.000 1.034 638 V CA -0.488 61.858 62.300 0.077 0.000 0.893 638 V CB 1.769 33.662 31.823 0.117 0.000 0.982 638 V HN 0.730 nan 8.190 nan 0.000 0.452 639 T N 3.143 117.677 114.554 -0.033 0.000 2.841 639 T HA 0.384 4.734 4.350 -0.000 0.000 0.283 639 T C -0.231 174.477 174.700 0.014 0.000 1.000 639 T CA -0.321 61.778 62.100 -0.003 0.000 0.977 639 T CB 1.632 70.477 68.868 -0.038 0.000 0.979 639 T HN 0.688 nan 8.240 nan 0.000 0.446 640 S N 1.610 117.330 115.700 0.032 0.000 2.508 640 S HA 0.282 4.752 4.470 -0.000 0.000 0.284 640 S C 0.503 175.008 174.600 -0.159 0.000 1.192 640 S CA -0.614 57.554 58.200 -0.054 0.000 1.070 640 S CB 0.646 63.890 63.200 0.075 0.000 1.004 640 S HN 0.710 nan 8.310 nan 0.000 0.493 641 E N 3.045 123.054 120.200 -0.320 0.000 2.496 641 E HA 0.118 4.468 4.350 -0.000 0.000 0.200 641 E C -0.967 175.484 176.600 -0.247 0.000 1.016 641 E CA -0.098 56.153 56.400 -0.248 0.000 0.962 641 E CB 0.349 29.893 29.700 -0.260 0.000 1.071 641 E HN 0.660 nan 8.360 nan 0.000 0.457 642 Y N 0.356 120.553 120.300 -0.171 0.000 2.299 642 Y HA 0.111 4.661 4.550 -0.000 0.000 0.326 642 Y C 1.357 177.099 175.900 -0.262 0.000 1.164 642 Y CA -0.275 57.697 58.100 -0.212 0.000 1.234 642 Y CB 0.988 39.301 38.460 -0.246 0.000 1.219 642 Y HN -0.002 nan 8.280 nan 0.000 0.497 643 L N 1.735 122.809 121.223 -0.249 0.000 2.463 643 L HA 0.059 4.399 4.340 -0.000 0.000 0.219 643 L C 0.602 176.999 176.870 -0.788 0.000 1.088 643 L CA 0.687 55.127 54.840 -0.666 0.000 0.849 643 L CB 0.051 41.334 42.059 -1.292 0.000 1.012 643 L HN 0.663 nan 8.230 nan 0.000 0.468 644 F N -0.386 119.583 119.950 0.031 0.000 2.699 644 F HA 0.199 4.726 4.527 -0.000 0.000 0.295 644 F C 1.289 177.071 175.800 -0.031 0.000 1.052 644 F CA -0.801 57.188 58.000 -0.017 0.000 1.239 644 F CB 0.332 39.299 39.000 -0.056 0.000 1.018 644 F HN -0.121 nan 8.300 nan 0.000 0.627 645 R N 0.091 120.625 120.500 0.056 0.000 2.573 645 R HA 0.463 4.803 4.340 -0.000 0.000 0.272 645 R C -0.990 175.300 176.300 -0.017 0.000 1.009 645 R CA -0.672 55.405 56.100 -0.039 0.000 1.059 645 R CB 0.783 30.959 30.300 -0.207 0.000 1.112 645 R HN 0.073 nan 8.270 nan 0.000 0.517 646 H N 0.392 119.435 119.070 -0.045 0.000 2.482 646 H HA 0.160 4.716 4.556 -0.000 0.000 0.344 646 H C -0.262 175.076 175.328 0.016 0.000 1.151 646 H CA -0.204 55.853 56.048 0.014 0.000 1.300 646 H CB 1.264 31.041 29.762 0.027 0.000 1.494 646 H HN 0.760 nan 8.280 nan 0.000 0.542 647 S N 2.461 118.017 115.700 -0.241 0.000 3.829 647 S HA -0.015 4.455 4.470 -0.000 0.000 0.250 647 S C -0.084 174.608 174.600 0.154 0.000 1.263 647 S CA -0.236 57.997 58.200 0.055 0.000 0.955 647 S CB -0.663 62.581 63.200 0.072 0.000 1.611 647 S HN 0.727 nan 8.310 nan 0.000 0.483 648 D N 0.715 121.216 120.400 0.169 0.000 2.427 648 D HA 0.110 4.750 4.640 -0.000 0.000 0.224 648 D C 0.224 176.585 176.300 0.100 0.000 1.157 648 D CA -0.459 53.644 54.000 0.171 0.000 0.828 648 D CB -0.247 40.649 40.800 0.160 0.000 0.974 648 D HN 0.485 nan 8.370 nan 0.000 0.498 649 N N 0.171 118.928 118.700 0.096 0.000 2.605 649 N HA 0.133 4.873 4.740 -0.000 0.000 0.265 649 N C -1.630 173.937 175.510 0.095 0.000 1.625 649 N CA -0.151 52.945 53.050 0.077 0.000 0.862 649 N CB 0.278 38.798 38.487 0.055 0.000 1.415 649 N HN -0.024 nan 8.380 nan 0.000 0.513 650 E N 0.089 120.340 120.200 0.085 0.000 2.278 650 E HA 0.462 4.812 4.350 -0.000 0.000 0.272 650 E C -1.717 174.914 176.600 0.052 0.000 0.890 650 E CA -0.597 55.840 56.400 0.061 0.000 0.770 650 E CB 1.956 31.660 29.700 0.006 0.000 1.212 650 E HN 0.085 nan 8.360 nan 0.000 0.415 651 L N 3.128 124.389 121.223 0.064 0.000 2.362 651 L HA 0.555 4.895 4.340 -0.000 0.000 0.275 651 L C -1.509 175.447 176.870 0.143 0.000 0.998 651 L CA -0.926 53.984 54.840 0.117 0.000 0.820 651 L CB 1.634 43.788 42.059 0.159 0.000 1.270 651 L HN 0.594 nan 8.230 nan 0.000 0.415 652 L N 4.878 126.221 121.223 0.200 0.000 2.265 652 L HA 0.422 4.762 4.340 -0.000 0.000 0.289 652 L C -0.598 176.500 176.870 0.380 0.000 1.033 652 L CA 0.140 55.128 54.840 0.248 0.000 0.814 652 L CB 0.387 42.585 42.059 0.231 0.000 1.203 652 L HN 0.547 nan 8.230 nan 0.000 0.423 653 H N 5.935 125.069 119.070 0.107 0.000 2.488 653 H HA 0.345 4.901 4.556 -0.000 0.000 0.322 653 H C -1.084 174.326 175.328 0.136 0.000 1.078 653 H CA -0.713 55.360 56.048 0.041 0.000 1.260 653 H CB 0.925 30.678 29.762 -0.015 0.000 1.425 653 H HN 0.702 nan 8.280 nan 0.000 0.471 654 W N 3.668 125.033 121.300 0.109 0.000 2.850 654 W HA 0.592 5.252 4.660 -0.000 0.000 0.349 654 W C -1.313 175.248 176.519 0.070 0.000 1.133 654 W CA -1.452 55.950 57.345 0.095 0.000 1.117 654 W CB 1.569 31.078 29.460 0.081 0.000 1.442 654 W HN 0.559 nan 8.180 nan 0.000 0.575 655 M N 1.469 121.421 119.600 0.588 0.000 2.389 655 M HA 0.519 4.999 4.480 -0.000 0.000 0.291 655 M C -2.668 173.873 176.300 0.402 0.000 1.128 655 M CA -0.465 55.040 55.300 0.341 0.000 0.942 655 M CB 1.857 34.490 32.600 0.055 0.000 1.783 655 M HN 0.129 nan 8.290 nan 0.000 0.501 656 V N 3.159 123.293 119.914 0.367 0.000 2.459 656 V HA 1.024 5.144 4.120 -0.000 0.000 0.295 656 V C -0.176 176.037 176.094 0.199 0.000 1.029 656 V CA 0.006 62.483 62.300 0.295 0.000 0.874 656 V CB 1.234 33.231 31.823 0.290 0.000 0.985 656 V HN 1.084 nan 8.190 nan 0.000 0.438 657 A N 4.486 127.433 122.820 0.212 0.000 2.515 657 A HA 0.879 5.199 4.320 -0.000 0.000 0.298 657 A C -1.526 176.190 177.584 0.220 0.000 1.059 657 A CA -0.592 51.540 52.037 0.159 0.000 0.698 657 A CB 1.768 20.821 19.000 0.089 0.000 1.289 657 A HN 0.870 nan 8.150 nan 0.000 0.404 658 L N 1.492 122.810 121.223 0.158 0.000 2.295 658 L HA 0.581 4.921 4.340 -0.000 0.000 0.281 658 L C -0.631 176.343 176.870 0.173 0.000 1.018 658 L CA 0.264 55.212 54.840 0.180 0.000 0.841 658 L CB 0.420 42.548 42.059 0.116 0.000 1.218 658 L HN 0.760 nan 8.230 nan 0.000 0.424 659 D N 4.475 125.046 120.400 0.285 0.000 2.751 659 D HA -0.198 4.442 4.640 -0.000 0.000 0.233 659 D C 1.114 177.439 176.300 0.041 0.000 1.149 659 D CA 1.625 55.772 54.000 0.245 0.000 0.682 659 D CB -1.114 39.802 40.800 0.192 0.000 1.068 659 D HN 1.168 nan 8.370 nan 0.000 0.429 660 G N -1.379 107.403 108.800 -0.030 0.000 2.234 660 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.235 660 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.235 660 G C 0.210 175.032 174.900 -0.131 0.000 0.997 660 G CA 0.376 45.353 45.100 -0.205 0.000 0.623 660 G HN 0.449 nan 8.290 nan 0.000 0.514 661 K N 1.985 122.360 120.400 -0.040 0.000 2.211 661 K HA 0.588 4.908 4.320 -0.000 0.000 0.275 661 K C -2.684 173.916 176.600 0.000 0.000 1.024 661 K CA -2.023 54.246 56.287 -0.030 0.000 0.887 661 K CB 1.924 34.418 32.500 -0.010 0.000 1.084 661 K HN 0.065 nan 8.250 nan 0.000 0.463 662 P HA 0.151 nan 4.420 nan 0.000 0.281 662 P C -0.258 177.050 177.300 0.013 0.000 1.252 662 P CA -0.215 62.882 63.100 -0.005 0.000 0.778 662 P CB 0.826 32.500 31.700 -0.043 0.000 0.895 663 L N 1.345 122.596 121.223 0.047 0.000 2.685 663 L HA 0.536 4.876 4.340 -0.000 0.000 0.235 663 L C 0.813 177.720 176.870 0.063 0.000 1.070 663 L CA 0.203 55.076 54.840 0.055 0.000 0.888 663 L CB 0.213 42.320 42.059 0.081 0.000 1.203 663 L HN 0.346 nan 8.230 nan 0.000 0.499 664 A N -0.144 122.726 122.820 0.083 0.000 2.577 664 A HA 0.718 5.038 4.320 -0.000 0.000 0.297 664 A C -0.965 176.558 177.584 -0.102 0.000 1.060 664 A CA -0.340 51.744 52.037 0.078 0.000 0.697 664 A CB 1.493 20.665 19.000 0.287 0.000 1.281 664 A HN -0.001 nan 8.150 nan 0.000 0.402 665 S N -0.283 115.130 115.700 -0.478 0.000 2.595 665 S HA 0.985 5.455 4.470 -0.000 0.000 0.281 665 S C -0.077 173.660 174.600 -1.438 0.000 1.117 665 S CA -0.318 57.319 58.200 -0.938 0.000 0.873 665 S CB 2.015 64.920 63.200 -0.492 0.000 1.108 665 S HN 2.156 nan 8.310 nan 0.000 0.477 666 G N 0.033 107.703 108.800 -1.884 0.000 2.623 666 G HA2 0.633 4.593 3.960 -0.000 0.000 0.290 666 G HA3 0.633 4.593 3.960 -0.000 0.000 0.290 666 G C -2.223 172.160 174.900 -0.862 0.000 1.437 666 G CA -0.653 43.666 45.100 -1.300 0.000 0.798 666 G HN 0.608 nan 8.290 nan 0.000 0.488 667 E N -1.008 119.009 120.200 -0.306 0.000 2.292 667 E HA 0.626 4.976 4.350 -0.000 0.000 0.272 667 E C -1.344 175.305 176.600 0.082 0.000 0.881 667 E CA -0.649 55.664 56.400 -0.145 0.000 0.754 667 E CB 3.067 32.622 29.700 -0.242 0.000 1.201 667 E HN 0.348 nan 8.360 nan 0.000 0.425 668 V N 3.809 123.821 119.914 0.164 0.000 2.808 668 V HA 0.463 4.583 4.120 -0.000 0.000 0.308 668 V C -2.548 173.632 176.094 0.144 0.000 1.099 668 V CA -1.778 60.618 62.300 0.161 0.000 0.920 668 V CB 2.214 34.153 31.823 0.193 0.000 1.014 668 V HN 0.569 nan 8.190 nan 0.000 0.425 669 P HA 0.427 nan 4.420 nan 0.000 0.290 669 P C -0.883 176.469 177.300 0.087 0.000 1.276 669 P CA -0.375 62.784 63.100 0.097 0.000 0.808 669 P CB 1.129 32.881 31.700 0.086 0.000 0.966 670 L N 2.739 123.999 121.223 0.062 0.000 2.371 670 L HA 0.301 4.641 4.340 -0.000 0.000 0.272 670 L C 0.438 177.347 176.870 0.065 0.000 1.124 670 L CA 0.369 55.228 54.840 0.032 0.000 0.816 670 L CB 0.400 42.416 42.059 -0.071 0.000 1.129 670 L HN 0.351 nan 8.230 nan 0.000 0.448 671 D N 2.270 122.709 120.400 0.065 0.000 2.517 671 D HA 0.355 4.995 4.640 -0.000 0.000 0.263 671 D C -1.268 175.024 176.300 -0.014 0.000 1.233 671 D CA -0.089 53.985 54.000 0.123 0.000 0.849 671 D CB 0.904 41.822 40.800 0.197 0.000 1.261 671 D HN 0.084 nan 8.370 nan 0.000 0.516 672 V N 0.566 120.327 119.914 -0.256 0.000 2.540 672 V HA 0.901 5.021 4.120 -0.000 0.000 0.302 672 V C 0.645 176.469 176.094 -0.449 0.000 1.035 672 V CA -1.362 60.830 62.300 -0.181 0.000 0.873 672 V CB 1.424 33.274 31.823 0.045 0.000 0.992 672 V HN 0.421 nan 8.190 nan 0.000 0.428 673 A N 5.649 128.378 122.820 -0.152 0.000 2.351 673 A HA 0.767 5.087 4.320 -0.000 0.000 0.257 673 A C -2.342 175.254 177.584 0.020 0.000 1.087 673 A CA -1.623 50.424 52.037 0.018 0.000 0.798 673 A CB -0.066 19.013 19.000 0.132 0.000 1.033 673 A HN 0.719 nan 8.150 nan 0.000 0.488 674 P HA 0.031 nan 4.420 nan 0.000 0.261 674 P C -0.488 176.811 177.300 -0.002 0.000 1.183 674 P CA 0.660 63.776 63.100 0.026 0.000 0.761 674 P CB 0.364 32.063 31.700 -0.002 0.000 0.785 675 Q N -0.761 119.028 119.800 -0.019 0.000 2.460 675 Q HA -0.161 4.179 4.340 -0.000 0.000 0.248 675 Q C 0.689 176.686 176.000 -0.006 0.000 0.847 675 Q CA 1.299 57.084 55.803 -0.031 0.000 1.214 675 Q CB -2.213 26.494 28.738 -0.051 0.000 1.523 675 Q HN 0.762 nan 8.270 nan 0.000 0.602 676 G N 0.266 109.075 108.800 0.015 0.000 2.705 676 G HA2 0.641 4.601 3.960 -0.000 0.000 0.299 676 G HA3 0.641 4.601 3.960 -0.000 0.000 0.299 676 G C -0.639 174.283 174.900 0.035 0.000 1.315 676 G CA -0.627 44.490 45.100 0.027 0.000 1.045 676 G HN -0.036 nan 8.290 nan 0.000 0.517 677 K N -0.541 119.882 120.400 0.040 0.000 2.328 677 K HA 0.499 4.819 4.320 -0.000 0.000 0.246 677 K C -0.911 175.721 176.600 0.054 0.000 0.955 677 K CA -0.566 55.748 56.287 0.045 0.000 0.817 677 K CB 2.408 34.929 32.500 0.036 0.000 1.208 677 K HN 0.511 nan 8.250 nan 0.000 0.432 678 Q N 3.115 122.953 119.800 0.063 0.000 2.289 678 Q HA 0.360 4.700 4.340 -0.000 0.000 0.270 678 Q C -1.665 174.375 176.000 0.067 0.000 1.038 678 Q CA -0.629 55.213 55.803 0.066 0.000 0.812 678 Q CB 1.356 30.137 28.738 0.072 0.000 1.300 678 Q HN 0.534 nan 8.270 nan 0.000 0.427 679 L N 5.217 126.471 121.223 0.052 0.000 2.282 679 L HA 0.546 4.886 4.340 -0.000 0.000 0.288 679 L C -0.438 176.452 176.870 0.034 0.000 1.033 679 L CA -0.648 54.215 54.840 0.039 0.000 0.807 679 L CB 1.239 43.310 42.059 0.021 0.000 1.209 679 L HN 0.605 nan 8.230 nan 0.000 0.423 680 I N 3.173 123.758 120.570 0.025 0.000 2.382 680 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 680 I C -0.152 175.936 176.117 -0.049 0.000 1.002 680 I CA -0.680 60.625 61.300 0.008 0.000 1.135 680 I CB 1.899 39.921 38.000 0.037 0.000 1.288 680 I HN 0.485 nan 8.210 nan 0.000 0.448 681 E N 6.792 126.964 120.200 -0.046 0.000 2.180 681 E HA 0.356 4.706 4.350 -0.000 0.000 0.283 681 E C -0.590 175.937 176.600 -0.122 0.000 1.061 681 E CA -0.289 56.066 56.400 -0.075 0.000 0.861 681 E CB 1.293 30.969 29.700 -0.041 0.000 1.056 681 E HN 0.474 nan 8.360 nan 0.000 0.407 682 L N 6.127 127.234 121.223 -0.193 0.000 2.326 682 L HA 0.296 4.636 4.340 -0.000 0.000 0.278 682 L C -1.775 174.982 176.870 -0.189 0.000 1.092 682 L CA -1.824 52.838 54.840 -0.296 0.000 0.810 682 L CB 1.026 42.814 42.059 -0.453 0.000 1.153 682 L HN 0.245 nan 8.230 nan 0.000 0.439 683 P HA -0.021 nan 4.420 nan 0.000 0.270 683 P C -0.474 176.782 177.300 -0.074 0.000 1.223 683 P CA -0.296 62.774 63.100 -0.051 0.000 0.785 683 P CB 0.509 32.238 31.700 0.047 0.000 0.923 684 E N 0.815 120.995 120.200 -0.033 0.000 2.480 684 E HA 0.040 4.390 4.350 -0.000 0.000 0.258 684 E C -0.252 176.338 176.600 -0.017 0.000 0.984 684 E CA 0.013 56.393 56.400 -0.034 0.000 0.930 684 E CB 0.144 29.833 29.700 -0.019 0.000 0.936 684 E HN 0.325 nan 8.360 nan 0.000 0.466 685 L N 6.449 127.648 121.223 -0.039 0.000 2.350 685 L HA 0.303 4.643 4.340 -0.000 0.000 0.275 685 L C -1.868 175.008 176.870 0.012 0.000 1.099 685 L CA -2.112 52.719 54.840 -0.014 0.000 0.808 685 L CB 0.530 42.559 42.059 -0.050 0.000 1.149 685 L HN 0.424 nan 8.230 nan 0.000 0.442 686 P HA 0.054 nan 4.420 nan 0.000 0.268 686 P C -1.140 176.177 177.300 0.028 0.000 1.205 686 P CA -0.195 62.930 63.100 0.042 0.000 0.771 686 P CB 0.528 32.267 31.700 0.064 0.000 0.858 687 Q N 2.217 122.029 119.800 0.020 0.000 2.965 687 Q HA 0.265 4.605 4.340 -0.000 0.000 0.288 687 Q C -2.070 173.940 176.000 0.017 0.000 0.974 687 Q CA -1.505 54.306 55.803 0.013 0.000 0.849 687 Q CB 0.412 29.152 28.738 0.002 0.000 1.280 687 Q HN 0.424 nan 8.270 nan 0.000 0.441 688 P HA -0.044 nan 4.420 nan 0.000 0.267 688 P C -0.014 177.299 177.300 0.022 0.000 1.201 688 P CA 0.150 63.266 63.100 0.027 0.000 0.775 688 P CB 1.239 32.961 31.700 0.037 0.000 0.854 689 E N -0.123 120.090 120.200 0.021 0.000 2.201 689 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 689 E C 0.470 177.084 176.600 0.023 0.000 0.957 689 E CA 0.379 56.790 56.400 0.019 0.000 0.858 689 E CB -0.321 29.389 29.700 0.017 0.000 0.816 689 E HN 0.525 nan 8.360 nan 0.000 0.475 690 S N 1.631 117.347 115.700 0.027 0.000 2.550 690 S HA 0.180 4.650 4.470 -0.000 0.000 0.285 690 S C 0.409 175.032 174.600 0.038 0.000 1.326 690 S CA 0.017 58.237 58.200 0.033 0.000 1.037 690 S CB 0.663 63.884 63.200 0.035 0.000 0.838 690 S HN 0.275 nan 8.310 nan 0.000 0.519 691 A N 1.575 124.420 122.820 0.042 0.000 2.322 691 A HA 0.792 5.112 4.320 -0.000 0.000 0.269 691 A C 0.889 178.510 177.584 0.062 0.000 1.094 691 A CA 0.211 52.276 52.037 0.046 0.000 0.807 691 A CB -0.053 18.976 19.000 0.048 0.000 1.047 691 A HN 1.881 nan 8.150 nan 0.000 0.487 692 G N -0.140 108.699 108.800 0.065 0.000 2.346 692 G HA2 0.305 4.265 3.960 -0.000 0.000 0.294 692 G HA3 0.305 4.265 3.960 -0.000 0.000 0.294 692 G C -1.284 173.663 174.900 0.079 0.000 1.294 692 G CA -0.854 44.302 45.100 0.094 0.000 0.962 692 G HN 0.859 nan 8.290 nan 0.000 0.508 693 Q N -0.633 119.247 119.800 0.133 0.000 2.307 693 Q HA 0.621 4.961 4.340 -0.000 0.000 0.262 693 Q C -0.804 175.288 176.000 0.153 0.000 0.961 693 Q CA -0.762 55.082 55.803 0.068 0.000 0.882 693 Q CB 2.354 31.164 28.738 0.119 0.000 1.264 693 Q HN 0.513 nan 8.270 nan 0.000 0.446 694 L N 3.515 124.719 121.223 -0.030 0.000 2.275 694 L HA 0.500 4.840 4.340 -0.000 0.000 0.288 694 L C -1.788 175.045 176.870 -0.062 0.000 1.046 694 L CA 0.057 54.930 54.840 0.055 0.000 0.805 694 L CB 0.498 42.561 42.059 0.006 0.000 1.193 694 L HN 0.569 nan 8.230 nan 0.000 0.426 695 W N 5.444 126.811 121.300 0.111 0.000 2.915 695 W HA 0.565 5.225 4.660 -0.000 0.000 0.337 695 W C -1.117 175.509 176.519 0.179 0.000 1.102 695 W CA -0.680 56.754 57.345 0.148 0.000 1.224 695 W CB 1.727 31.300 29.460 0.188 0.000 1.416 695 W HN 0.292 nan 8.180 nan 0.000 0.503 696 L N 2.984 124.504 121.223 0.496 0.000 2.307 696 L HA 0.791 5.131 4.340 -0.000 0.000 0.284 696 L C -0.371 176.804 176.870 0.507 0.000 1.023 696 L CA 0.176 55.281 54.840 0.443 0.000 0.810 696 L CB 1.354 43.620 42.059 0.345 0.000 1.231 696 L HN 0.340 nan 8.230 nan 0.000 0.423 697 T N 4.961 119.755 114.554 0.401 0.000 2.848 697 T HA 0.663 5.013 4.350 -0.000 0.000 0.285 697 T C -0.832 174.045 174.700 0.294 0.000 0.995 697 T CA -0.430 61.852 62.100 0.303 0.000 0.970 697 T CB 1.577 70.561 68.868 0.194 0.000 0.976 697 T HN 0.601 nan 8.240 nan 0.000 0.441 698 V N 1.686 121.726 119.914 0.210 0.000 2.715 698 V HA 0.855 4.974 4.120 -0.000 0.000 0.310 698 V C -0.631 175.520 176.094 0.095 0.000 1.054 698 V CA -1.127 61.266 62.300 0.154 0.000 0.928 698 V CB 1.858 33.696 31.823 0.025 0.000 1.007 698 V HN 0.795 nan 8.190 nan 0.000 0.437 699 R N 2.103 122.685 120.500 0.137 0.000 2.673 699 R HA 0.802 5.142 4.340 -0.000 0.000 0.281 699 R C -1.628 174.751 176.300 0.131 0.000 0.991 699 R CA -0.667 55.522 56.100 0.148 0.000 0.896 699 R CB 2.684 33.017 30.300 0.056 0.000 1.201 699 R HN 0.712 nan 8.270 nan 0.000 0.457 700 V N 3.723 123.746 119.914 0.182 0.000 2.398 700 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 700 V C -0.426 175.712 176.094 0.073 0.000 1.026 700 V CA -0.619 61.762 62.300 0.134 0.000 0.868 700 V CB 1.719 33.648 31.823 0.177 0.000 0.982 700 V HN 0.437 nan 8.190 nan 0.000 0.443 701 V N 4.734 124.640 119.914 -0.013 0.000 2.628 701 V HA 0.445 4.565 4.120 -0.000 0.000 0.306 701 V C -0.329 175.789 176.094 0.040 0.000 1.045 701 V CA -0.815 61.460 62.300 -0.042 0.000 0.905 701 V CB 1.984 33.672 31.823 -0.224 0.000 0.997 701 V HN 0.872 nan 8.190 nan 0.000 0.436 702 Q N 4.519 124.368 119.800 0.082 0.000 2.421 702 Q HA 0.272 4.612 4.340 -0.000 0.000 0.242 702 Q C -1.782 174.243 176.000 0.043 0.000 1.024 702 Q CA -1.784 54.073 55.803 0.091 0.000 0.891 702 Q CB 1.876 30.689 28.738 0.126 0.000 1.222 702 Q HN 0.488 nan 8.270 nan 0.000 0.483 703 P HA -0.197 nan 4.420 nan 0.000 0.215 703 P C -0.581 176.724 177.300 0.009 0.000 1.157 703 P CA 1.349 64.466 63.100 0.029 0.000 0.868 703 P CB 0.320 32.044 31.700 0.041 0.000 0.788 704 N N -0.875 117.823 118.700 -0.003 0.000 2.456 704 N HA 0.459 5.199 4.740 -0.000 0.000 0.296 704 N C -0.360 175.105 175.510 -0.074 0.000 1.102 704 N CA -0.709 52.324 53.050 -0.028 0.000 0.924 704 N CB 0.873 39.346 38.487 -0.023 0.000 1.186 704 N HN -0.020 nan 8.380 nan 0.000 0.492 705 A N 0.488 123.255 122.820 -0.088 0.000 2.346 705 A HA 0.545 4.865 4.320 -0.000 0.000 0.252 705 A C 0.547 178.009 177.584 -0.204 0.000 1.089 705 A CA -0.073 51.873 52.037 -0.152 0.000 0.797 705 A CB 0.017 18.951 19.000 -0.110 0.000 1.047 705 A HN 0.737 nan 8.150 nan 0.000 0.494 706 T N -3.512 110.836 114.554 -0.344 0.000 2.742 706 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 706 T C 0.852 175.360 174.700 -0.320 0.000 1.025 706 T CA 0.072 61.937 62.100 -0.391 0.000 1.020 706 T CB 1.077 69.449 68.868 -0.826 0.000 1.317 706 T HN 1.352 nan 8.240 nan 0.000 0.538 707 A N -0.218 122.488 122.820 -0.189 0.000 2.119 707 A HA 0.162 4.482 4.320 -0.000 0.000 0.217 707 A C 1.571 179.260 177.584 0.175 0.000 1.153 707 A CA 0.783 52.852 52.037 0.054 0.000 0.692 707 A CB -0.804 18.318 19.000 0.205 0.000 0.799 707 A HN 0.897 nan 8.150 nan 0.000 0.458 708 W N -0.762 120.589 121.300 0.085 0.000 2.714 708 W HA 0.412 5.072 4.660 -0.000 0.000 0.353 708 W C -0.133 176.350 176.519 -0.060 0.000 0.999 708 W CA 0.458 57.817 57.345 0.023 0.000 1.629 708 W CB -1.002 28.466 29.460 0.014 0.000 1.106 708 W HN 0.395 nan 8.180 nan 0.000 0.545 709 S N 0.430 115.731 115.700 -0.664 0.000 2.556 709 S HA 0.443 4.913 4.470 -0.000 0.000 0.271 709 S C -0.514 173.855 174.600 -0.385 0.000 1.135 709 S CA -0.704 57.118 58.200 -0.631 0.000 0.858 709 S CB 2.767 65.213 63.200 -1.256 0.000 1.114 709 S HN 0.101 nan 8.310 nan 0.000 0.468 710 E N 0.875 120.958 120.200 -0.195 0.000 2.322 710 E HA 0.572 4.922 4.350 -0.000 0.000 0.257 710 E C 0.252 176.813 176.600 -0.065 0.000 1.155 710 E CA -0.887 55.458 56.400 -0.093 0.000 0.936 710 E CB 0.882 30.575 29.700 -0.012 0.000 1.130 710 E HN 0.874 nan 8.360 nan 0.000 0.465 711 A N -0.201 122.597 122.820 -0.037 0.000 2.425 711 A HA 0.450 4.770 4.320 -0.000 0.000 0.249 711 A C 1.035 178.629 177.584 0.017 0.000 1.084 711 A CA 0.538 52.565 52.037 -0.017 0.000 0.781 711 A CB -0.236 18.755 19.000 -0.015 0.000 1.019 711 A HN 0.779 nan 8.150 nan 0.000 0.490 712 G N 0.340 109.155 108.800 0.026 0.000 2.136 712 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.242 712 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.242 712 G C 0.141 175.069 174.900 0.047 0.000 0.989 712 G CA 0.682 45.794 45.100 0.019 0.000 0.682 712 G HN 1.611 nan 8.290 nan 0.000 0.522 713 H N 0.450 119.512 119.070 -0.014 0.000 2.764 713 H HA 0.494 5.050 4.556 -0.000 0.000 0.341 713 H C 0.506 175.877 175.328 0.072 0.000 1.072 713 H CA -0.431 55.635 56.048 0.030 0.000 1.444 713 H CB 0.314 30.084 29.762 0.013 0.000 1.458 713 H HN 0.050 nan 8.280 nan 0.000 0.572 714 I N 4.762 125.063 120.570 -0.449 0.000 2.325 714 I HA 0.012 4.182 4.170 -0.000 0.000 0.291 714 I C 1.061 177.061 176.117 -0.196 0.000 1.019 714 I CA 0.153 61.326 61.300 -0.212 0.000 1.302 714 I CB 0.851 38.765 38.000 -0.143 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 4.051 119.849 115.700 0.163 0.000 2.526 715 S HA 0.624 5.094 4.470 -0.000 0.000 0.220 715 S C 0.499 175.367 174.600 0.446 0.000 1.017 715 S CA 0.060 58.484 58.200 0.372 0.000 0.930 715 S CB 0.721 64.249 63.200 0.546 0.000 0.856 715 S HN 0.721 nan 8.310 nan 0.000 0.497 716 A N 0.552 123.672 122.820 0.499 0.000 2.608 716 A HA 0.699 5.019 4.320 -0.000 0.000 0.292 716 A C -1.787 176.176 177.584 0.632 0.000 1.066 716 A CA -0.915 51.407 52.037 0.475 0.000 0.676 716 A CB 0.442 19.765 19.000 0.539 0.000 1.277 716 A HN 0.914 nan 8.150 nan 0.000 0.413 717 W N -0.454 121.009 121.300 0.271 0.000 2.959 717 W HA 0.812 5.472 4.660 -0.000 0.000 0.358 717 W C -1.155 175.392 176.519 0.046 0.000 1.228 717 W CA -0.634 56.752 57.345 0.069 0.000 1.183 717 W CB 1.166 30.610 29.460 -0.028 0.000 1.467 717 W HN 1.069 nan 8.180 nan 0.000 0.578 718 Q N 1.446 121.282 119.800 0.060 0.000 2.617 718 Q HA 0.334 4.674 4.340 -0.000 0.000 0.270 718 Q C -1.760 174.013 176.000 -0.379 0.000 0.967 718 Q CA -0.591 55.064 55.803 -0.247 0.000 0.887 718 Q CB 2.150 30.569 28.738 -0.531 0.000 1.516 718 Q HN 0.670 nan 8.270 nan 0.000 0.395 719 Q N 2.533 122.047 119.800 -0.478 0.000 2.416 719 Q HA 0.727 5.067 4.340 -0.000 0.000 0.281 719 Q C -1.461 174.396 176.000 -0.239 0.000 1.067 719 Q CA -0.591 55.100 55.803 -0.186 0.000 0.809 719 Q CB 1.743 30.564 28.738 0.138 0.000 1.418 719 Q HN 0.629 nan 8.270 nan 0.000 0.411 720 W N 2.002 123.495 121.300 0.320 0.000 3.032 720 W HA 0.463 5.123 4.660 -0.000 0.000 0.335 720 W C -0.536 175.985 176.519 0.003 0.000 1.154 720 W CA -0.854 56.597 57.345 0.176 0.000 1.204 720 W CB 2.083 31.584 29.460 0.069 0.000 1.416 720 W HN 0.683 nan 8.180 nan 0.000 0.521 721 R N 2.264 122.647 120.500 -0.195 0.000 2.216 721 R HA 0.284 4.624 4.340 -0.000 0.000 0.332 721 R C 0.745 176.832 176.300 -0.355 0.000 1.056 721 R CA -0.047 55.551 56.100 -0.836 0.000 0.901 721 R CB 0.555 30.160 30.300 -1.159 0.000 1.039 721 R HN 0.600 nan 8.270 nan 0.000 0.456 722 L N 2.964 124.016 121.223 -0.285 0.000 2.202 722 L HA 0.304 4.644 4.340 -0.000 0.000 0.205 722 L C 0.720 177.494 176.870 -0.159 0.000 1.083 722 L CA 0.593 55.341 54.840 -0.153 0.000 0.790 722 L CB 0.059 42.070 42.059 -0.080 0.000 0.942 722 L HN 0.704 nan 8.230 nan 0.000 0.452 723 A N -0.467 122.238 122.820 -0.192 0.000 2.564 723 A HA 0.619 4.939 4.320 -0.000 0.000 0.291 723 A C -1.537 175.959 177.584 -0.147 0.000 1.102 723 A CA -0.437 51.517 52.037 -0.138 0.000 0.660 723 A CB 1.711 20.664 19.000 -0.079 0.000 1.283 723 A HN 0.008 nan 8.150 nan 0.000 0.430 724 E N 0.540 120.685 120.200 -0.092 0.000 2.291 724 E HA 0.400 4.750 4.350 -0.000 0.000 0.276 724 E C -1.770 174.815 176.600 -0.026 0.000 0.896 724 E CA -0.606 55.755 56.400 -0.064 0.000 0.774 724 E CB 1.226 30.881 29.700 -0.075 0.000 1.227 724 E HN 0.596 nan 8.360 nan 0.000 0.413 725 N N 5.095 123.793 118.700 -0.003 0.000 2.476 725 N HA 0.292 5.032 4.740 -0.000 0.000 0.257 725 N C -0.448 175.074 175.510 0.019 0.000 0.970 725 N CA -0.360 52.695 53.050 0.008 0.000 0.938 725 N CB 1.331 39.827 38.487 0.015 0.000 1.144 725 N HN 0.496 nan 8.380 nan 0.000 0.500 726 L N 0.875 122.108 121.223 0.017 0.000 2.456 726 L HA 0.080 4.420 4.340 -0.000 0.000 0.272 726 L C 1.219 178.108 176.870 0.032 0.000 1.189 726 L CA 0.185 55.041 54.840 0.026 0.000 0.846 726 L CB 0.588 42.660 42.059 0.022 0.000 1.111 726 L HN 0.382 nan 8.230 nan 0.000 0.475 727 S N 1.722 117.446 115.700 0.041 0.000 2.439 727 S HA 0.255 4.725 4.470 -0.000 0.000 0.282 727 S C 0.344 174.966 174.600 0.037 0.000 1.170 727 S CA -0.900 57.325 58.200 0.041 0.000 1.054 727 S CB 0.605 63.835 63.200 0.050 0.000 0.956 727 S HN 0.421 nan 8.310 nan 0.000 0.490 728 V N 3.077 123.010 119.914 0.031 0.000 3.063 728 V HA 0.381 4.501 4.120 -0.000 0.000 0.379 728 V C 0.531 176.641 176.094 0.028 0.000 1.310 728 V CA -0.291 62.025 62.300 0.028 0.000 1.333 728 V CB -1.042 30.794 31.823 0.023 0.000 1.331 728 V HN 0.821 nan 8.190 nan 0.000 0.527 729 T N -0.428 114.146 114.554 0.032 0.000 2.918 729 T HA 0.804 5.154 4.350 -0.000 0.000 0.286 729 T C -0.621 174.098 174.700 0.031 0.000 1.026 729 T CA -0.735 61.383 62.100 0.030 0.000 1.031 729 T CB 2.082 70.967 68.868 0.029 0.000 1.046 729 T HN 0.271 nan 8.240 nan 0.000 0.479 730 L N 3.066 124.305 121.223 0.027 0.000 2.296 730 L HA 0.554 4.894 4.340 -0.000 0.000 0.286 730 L C -1.886 174.998 176.870 0.023 0.000 1.023 730 L CA -1.945 52.910 54.840 0.025 0.000 0.812 730 L CB 0.517 42.589 42.059 0.021 0.000 1.223 730 L HN 0.577 nan 8.230 nan 0.000 0.421 731 P HA 0.331 nan 4.420 nan 0.000 0.271 731 P C -0.502 176.804 177.300 0.010 0.000 1.216 731 P CA -0.406 62.705 63.100 0.017 0.000 0.776 731 P CB 1.093 32.803 31.700 0.018 0.000 0.881 732 A N 2.501 125.323 122.820 0.003 0.000 2.313 732 A HA 0.563 4.883 4.320 -0.000 0.000 0.261 732 A C 0.564 178.133 177.584 -0.025 0.000 1.090 732 A CA -0.173 51.863 52.037 -0.001 0.000 0.807 732 A CB -0.264 18.740 19.000 0.007 0.000 1.055 732 A HN 0.745 nan 8.150 nan 0.000 0.492 733 A N 0.822 123.633 122.820 -0.015 0.000 2.547 733 A HA 0.467 4.787 4.320 -0.000 0.000 0.233 733 A C 0.837 178.322 177.584 -0.166 0.000 1.067 733 A CA 0.578 52.596 52.037 -0.032 0.000 0.763 733 A CB -0.522 18.503 19.000 0.042 0.000 1.007 733 A HN 1.671 nan 8.150 nan 0.000 0.506 734 S N 0.377 115.987 115.700 -0.151 0.000 2.638 734 S HA 0.571 5.041 4.470 -0.000 0.000 0.298 734 S C 0.113 174.586 174.600 -0.212 0.000 1.111 734 S CA -0.718 57.336 58.200 -0.243 0.000 1.027 734 S CB 0.896 64.040 63.200 -0.092 0.000 1.064 734 S HN 0.662 nan 8.310 nan 0.000 0.525 735 H N -0.101 118.981 119.070 0.020 0.000 2.586 735 H HA 0.634 5.190 4.556 -0.000 0.000 0.273 735 H C 0.492 175.829 175.328 0.014 0.000 0.997 735 H CA 0.464 56.521 56.048 0.015 0.000 1.177 735 H CB 0.064 29.834 29.762 0.013 0.000 1.471 735 H HN 0.802 nan 8.280 nan 0.000 0.538 736 A N 0.789 123.662 122.820 0.087 0.000 2.599 736 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 736 A C -0.910 176.699 177.584 0.043 0.000 1.101 736 A CA -0.754 51.322 52.037 0.066 0.000 0.674 736 A CB 1.327 20.369 19.000 0.069 0.000 1.277 736 A HN 0.192 nan 8.150 nan 0.000 0.419 737 I N -1.977 118.621 120.570 0.045 0.000 3.002 737 I HA 0.838 5.008 4.170 -0.000 0.000 0.310 737 I C -2.867 173.291 176.117 0.069 0.000 1.087 737 I CA -2.755 58.569 61.300 0.040 0.000 1.017 737 I CB 2.107 40.121 38.000 0.024 0.000 1.226 737 I HN 0.346 nan 8.210 nan 0.000 0.443 738 P HA 0.086 nan 4.420 nan 0.000 0.271 738 P C -1.404 175.990 177.300 0.157 0.000 1.233 738 P CA 0.202 63.366 63.100 0.106 0.000 0.789 738 P CB 0.207 31.934 31.700 0.045 0.000 0.951 739 H N 1.458 120.561 119.070 0.054 0.000 2.539 739 H HA 0.389 4.945 4.556 -0.000 0.000 0.332 739 H C -0.988 174.369 175.328 0.050 0.000 1.031 739 H CA -1.049 55.023 56.048 0.040 0.000 1.206 739 H CB 0.946 30.733 29.762 0.042 0.000 1.446 739 H HN 0.205 nan 8.280 nan 0.000 0.496 740 L N 4.241 125.340 121.223 -0.207 0.000 2.421 740 L HA 0.370 4.710 4.340 -0.000 0.000 0.263 740 L C -0.600 176.079 176.870 -0.318 0.000 1.122 740 L CA 0.277 54.980 54.840 -0.228 0.000 0.804 740 L CB 1.656 43.645 42.059 -0.117 0.000 1.150 740 L HN 0.704 nan 8.230 nan 0.000 0.457 741 T N 2.291 116.767 114.554 -0.130 0.000 3.483 741 T HA 0.292 4.642 4.350 -0.000 0.000 0.329 741 T C -0.943 173.814 174.700 0.094 0.000 1.014 741 T CA -0.434 61.634 62.100 -0.053 0.000 1.056 741 T CB 0.907 69.723 68.868 -0.087 0.000 1.090 741 T HN 0.714 nan 8.240 nan 0.000 0.460 742 T N 2.887 117.516 114.554 0.125 0.000 2.799 742 T HA 0.652 5.002 4.350 -0.000 0.000 0.286 742 T C 0.293 175.052 174.700 0.098 0.000 0.973 742 T CA -0.392 61.835 62.100 0.211 0.000 1.035 742 T CB 1.411 70.422 68.868 0.239 0.000 0.932 742 T HN 0.569 nan 8.240 nan 0.000 0.469 743 S N 1.783 117.516 115.700 0.055 0.000 2.837 743 S HA 0.431 4.901 4.470 -0.000 0.000 0.314 743 S C 0.915 175.493 174.600 -0.038 0.000 1.098 743 S CA -0.614 57.589 58.200 0.005 0.000 0.903 743 S CB 1.576 64.776 63.200 0.000 0.000 1.310 743 S HN 0.728 nan 8.310 nan 0.000 0.581 744 E N -0.614 119.557 120.200 -0.047 0.000 2.216 744 E HA 0.102 4.452 4.350 -0.000 0.000 0.192 744 E C 1.531 178.062 176.600 -0.116 0.000 0.973 744 E CA 0.369 56.728 56.400 -0.068 0.000 0.851 744 E CB 0.018 29.695 29.700 -0.039 0.000 0.804 744 E HN 0.529 nan 8.360 nan 0.000 0.477 745 M N 1.007 120.549 119.600 -0.097 0.000 2.476 745 M HA 0.108 4.588 4.480 -0.000 0.000 0.262 745 M C -0.175 176.043 176.300 -0.136 0.000 1.111 745 M CA 0.803 56.047 55.300 -0.093 0.000 1.127 745 M CB -0.520 32.057 32.600 -0.038 0.000 1.376 745 M HN 0.023 nan 8.290 nan 0.000 0.465 746 D N -1.712 118.586 120.400 -0.171 0.000 2.692 746 D HA 0.472 5.112 4.640 -0.000 0.000 0.290 746 D C -1.062 175.129 176.300 -0.181 0.000 1.281 746 D CA -0.681 53.208 54.000 -0.185 0.000 0.804 746 D CB 0.702 41.503 40.800 0.003 0.000 1.331 746 D HN -0.057 nan 8.370 nan 0.000 0.432 750 E N 4.461 124.794 120.200 0.222 0.000 2.317 750 E HA 0.811 5.161 4.350 -0.000 0.000 0.270 750 E C -1.876 174.892 176.600 0.280 0.000 0.885 750 E CA -0.728 55.815 56.400 0.238 0.000 0.760 750 E CB 3.259 33.027 29.700 0.114 0.000 1.227 750 E HN 0.531 nan 8.360 nan 0.000 0.434 751 L N 4.471 125.856 121.223 0.269 0.000 2.673 751 L HA 0.513 4.853 4.340 -0.000 0.000 0.255 751 L C -0.102 176.849 176.870 0.135 0.000 1.015 751 L CA 0.741 55.719 54.840 0.230 0.000 0.930 751 L CB 0.794 43.039 42.059 0.310 0.000 1.185 751 L HN 0.802 nan 8.230 nan 0.000 0.457 752 G N 3.522 112.370 108.800 0.080 0.000 2.509 752 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.256 752 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.256 752 G C 0.554 175.452 174.900 -0.004 0.000 1.152 752 G CA 0.403 45.524 45.100 0.035 0.000 0.951 752 G HN 0.874 nan 8.290 nan 0.000 0.559 753 N N 1.191 119.873 118.700 -0.030 0.000 2.331 753 N HA 0.007 4.747 4.740 -0.000 0.000 0.180 753 N C 0.839 176.284 175.510 -0.108 0.000 1.019 753 N CA 1.410 54.423 53.050 -0.062 0.000 0.881 753 N CB -0.206 38.247 38.487 -0.058 0.000 0.972 753 N HN 0.774 nan 8.380 nan 0.000 0.435 754 K N 0.599 120.909 120.400 -0.151 0.000 2.350 754 K HA 0.269 4.589 4.320 -0.000 0.000 0.279 754 K C -0.112 176.265 176.600 -0.371 0.000 1.027 754 K CA 0.001 56.066 56.287 -0.370 0.000 0.969 754 K CB 1.036 33.237 32.500 -0.497 0.000 0.954 754 K HN 0.066 nan 8.250 nan 0.000 0.474 755 R N 1.861 122.067 120.500 -0.490 0.000 2.698 755 R HA 0.401 4.741 4.340 -0.000 0.000 0.275 755 R C -1.557 174.650 176.300 -0.156 0.000 1.001 755 R CA -0.667 55.337 56.100 -0.159 0.000 0.896 755 R CB 1.484 31.748 30.300 -0.061 0.000 1.218 755 R HN 0.592 nan 8.270 nan 0.000 0.462 756 W N 2.839 124.249 121.300 0.184 0.000 2.883 756 W HA 0.328 4.988 4.660 -0.000 0.000 0.335 756 W C -0.754 175.852 176.519 0.146 0.000 1.083 756 W CA -0.530 56.880 57.345 0.108 0.000 1.233 756 W CB 2.236 31.728 29.460 0.053 0.000 1.412 756 W HN 0.420 nan 8.180 nan 0.000 0.490 757 Q N 2.598 122.544 119.800 0.242 0.000 2.340 757 Q HA 0.488 4.828 4.340 -0.000 0.000 0.268 757 Q C -1.995 173.948 176.000 -0.094 0.000 1.031 757 Q CA -0.516 55.414 55.803 0.212 0.000 0.804 757 Q CB 1.845 30.776 28.738 0.323 0.000 1.286 757 Q HN 0.368 nan 8.270 nan 0.000 0.448 758 F N 2.764 122.802 119.950 0.148 0.000 2.426 758 F HA 0.318 4.845 4.527 -0.000 0.000 0.348 758 F C 0.611 176.426 175.800 0.025 0.000 1.124 758 F CA -0.788 57.265 58.000 0.089 0.000 1.008 758 F CB 1.374 40.453 39.000 0.132 0.000 1.139 758 F HN 0.510 nan 8.300 nan 0.000 0.452 759 N N 3.473 122.261 118.700 0.147 0.000 2.497 759 N HA 0.077 4.817 4.740 -0.000 0.000 0.268 759 N C 0.925 176.428 175.510 -0.012 0.000 1.171 759 N CA 0.027 53.110 53.050 0.056 0.000 0.948 759 N CB 0.791 39.321 38.487 0.073 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 2.001 122.414 120.500 -0.144 0.000 2.276 760 R HA -0.029 4.311 4.340 -0.000 0.000 0.203 760 R C 1.221 177.441 176.300 -0.133 0.000 1.017 760 R CA 0.978 56.932 56.100 -0.243 0.000 1.010 760 R CB 0.311 30.354 30.300 -0.427 0.000 0.900 760 R HN 0.701 nan 8.270 nan 0.000 0.469 761 Q N -0.826 118.931 119.800 -0.071 0.000 2.373 761 Q HA 0.034 4.374 4.340 -0.000 0.000 0.210 761 Q C 1.831 177.815 176.000 -0.026 0.000 0.913 761 Q CA 1.148 56.923 55.803 -0.046 0.000 0.911 761 Q CB 0.482 29.207 28.738 -0.022 0.000 1.040 761 Q HN 0.214 nan 8.270 nan 0.000 0.521 762 S N -0.297 115.407 115.700 0.007 0.000 2.470 762 S HA 0.214 4.684 4.470 -0.000 0.000 0.222 762 S C 1.594 176.100 174.600 -0.157 0.000 1.024 762 S CA 0.543 58.764 58.200 0.035 0.000 0.931 762 S CB 0.316 63.648 63.200 0.220 0.000 0.791 762 S HN 0.489 nan 8.310 nan 0.000 0.513 763 G N 0.561 109.295 108.800 -0.110 0.000 2.143 763 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 763 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 763 G C -0.129 174.685 174.900 -0.143 0.000 0.991 763 G CA 0.325 45.346 45.100 -0.131 0.000 0.689 763 G HN 0.539 nan 8.290 nan 0.000 0.522 764 F N -1.319 118.816 119.950 0.309 0.000 2.538 764 F HA 0.643 5.170 4.527 -0.000 0.000 0.325 764 F C 0.499 176.327 175.800 0.048 0.000 1.066 764 F CA -1.465 56.680 58.000 0.241 0.000 0.946 764 F CB 1.550 40.640 39.000 0.152 0.000 1.199 764 F HN 0.028 nan 8.300 nan 0.000 0.473 765 L N 1.804 123.086 121.223 0.099 0.000 2.530 765 L HA 0.183 4.523 4.340 -0.000 0.000 0.273 765 L C 0.601 177.368 176.870 -0.171 0.000 1.141 765 L CA 0.830 55.359 54.840 -0.518 0.000 0.905 765 L CB 0.412 42.168 42.059 -0.505 0.000 1.202 765 L HN 0.642 nan 8.230 nan 0.000 0.473 766 S N 2.472 118.068 115.700 -0.174 0.000 2.470 766 S HA 0.142 4.612 4.470 -0.000 0.000 0.222 766 S C 0.275 174.771 174.600 -0.172 0.000 1.024 766 S CA 0.322 58.472 58.200 -0.084 0.000 0.931 766 S CB 0.006 63.194 63.200 -0.019 0.000 0.791 766 S HN 0.757 nan 8.310 nan 0.000 0.513 767 Q N -0.126 119.519 119.800 -0.258 0.000 2.702 767 Q HA 0.602 4.942 4.340 -0.000 0.000 0.289 767 Q C -1.625 174.058 176.000 -0.528 0.000 0.923 767 Q CA -0.558 54.971 55.803 -0.456 0.000 0.787 767 Q CB 1.252 29.614 28.738 -0.627 0.000 1.476 767 Q HN 0.239 nan 8.270 nan 0.000 0.402 768 M N 0.866 120.012 119.600 -0.758 0.000 2.413 768 M HA 0.746 5.226 4.480 -0.000 0.000 0.287 768 M C -2.009 173.879 176.300 -0.686 0.000 1.186 768 M CA -0.274 54.670 55.300 -0.593 0.000 0.927 768 M CB 1.836 34.133 32.600 -0.505 0.000 1.715 768 M HN 0.541 nan 8.290 nan 0.000 0.478 769 W N 3.948 125.026 121.300 -0.371 0.000 2.761 769 W HA 0.673 5.333 4.660 -0.000 0.000 0.340 769 W C -1.399 174.916 176.519 -0.341 0.000 1.072 769 W CA -0.878 56.297 57.345 -0.282 0.000 1.215 769 W CB 2.005 31.331 29.460 -0.224 0.000 1.420 769 W HN 0.577 nan 8.180 nan 0.000 0.519 770 I N 2.769 123.343 120.570 0.007 0.000 2.448 770 I HA 0.401 4.571 4.170 -0.000 0.000 0.281 770 I C 0.729 176.839 176.117 -0.011 0.000 1.027 770 I CA 0.135 61.390 61.300 -0.074 0.000 1.111 770 I CB 1.082 39.010 38.000 -0.121 0.000 1.236 770 I HN 0.728 nan 8.210 nan 0.000 0.452 771 G N 5.841 114.629 108.800 -0.019 0.000 2.523 771 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.271 771 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.271 771 G C 0.249 175.169 174.900 0.034 0.000 1.146 771 G CA 0.456 45.549 45.100 -0.012 0.000 0.961 771 G HN 0.715 nan 8.290 nan 0.000 0.549 772 D N 0.778 121.215 120.400 0.062 0.000 2.431 772 D HA 0.233 4.873 4.640 -0.000 0.000 0.213 772 D C 0.623 177.062 176.300 0.232 0.000 1.130 772 D CA 0.133 54.204 54.000 0.119 0.000 0.834 772 D CB 0.315 41.136 40.800 0.036 0.000 0.985 772 D HN 0.504 nan 8.370 nan 0.000 0.504 773 K N 1.162 121.659 120.400 0.162 0.000 2.248 773 K HA 0.272 4.592 4.320 -0.000 0.000 0.281 773 K C -0.027 176.544 176.600 -0.048 0.000 1.054 773 K CA -0.444 55.878 56.287 0.057 0.000 0.903 773 K CB 1.620 34.116 32.500 -0.008 0.000 1.077 773 K HN -0.118 nan 8.250 nan 0.000 0.474 774 K N 2.201 122.491 120.400 -0.184 0.000 2.326 774 K HA 0.029 4.349 4.320 -0.000 0.000 0.275 774 K C 0.752 177.161 176.600 -0.318 0.000 1.018 774 K CA -0.191 55.792 56.287 -0.506 0.000 0.962 774 K CB 0.802 33.043 32.500 -0.431 0.000 0.953 774 K HN 0.443 nan 8.250 nan 0.000 0.475 775 Q N 1.369 120.952 119.800 -0.361 0.000 2.350 775 Q HA 0.193 4.533 4.340 -0.000 0.000 0.225 775 Q C 0.045 175.960 176.000 -0.140 0.000 0.878 775 Q CA 0.433 56.142 55.803 -0.158 0.000 0.935 775 Q CB 0.520 29.231 28.738 -0.046 0.000 1.099 775 Q HN 0.492 nan 8.270 nan 0.000 0.527 776 L N 0.545 121.626 121.223 -0.238 0.000 2.354 776 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 776 L C 0.821 177.565 176.870 -0.209 0.000 1.005 776 L CA -0.469 54.258 54.840 -0.188 0.000 0.819 776 L CB 1.711 43.663 42.059 -0.178 0.000 1.311 776 L HN -0.115 nan 8.230 nan 0.000 0.423 777 L N -0.255 120.839 121.223 -0.215 0.000 2.513 777 L HA 0.275 4.615 4.340 -0.000 0.000 0.222 777 L C 0.324 177.081 176.870 -0.188 0.000 1.096 777 L CA 0.574 55.291 54.840 -0.204 0.000 0.857 777 L CB 0.264 42.189 42.059 -0.223 0.000 1.026 777 L HN 0.595 nan 8.230 nan 0.000 0.469 778 T N 0.003 114.431 114.554 -0.210 0.000 2.916 778 T HA 0.416 4.766 4.350 -0.000 0.000 0.305 778 T C -2.652 171.980 174.700 -0.114 0.000 1.119 778 T CA -1.055 60.958 62.100 -0.145 0.000 1.008 778 T CB 2.711 71.455 68.868 -0.206 0.000 1.129 778 T HN -0.263 nan 8.240 nan 0.000 0.480 779 P HA 0.290 nan 4.420 nan 0.000 0.272 779 P C -0.798 176.460 177.300 -0.071 0.000 1.230 779 P CA -0.751 62.319 63.100 -0.051 0.000 0.788 779 P CB 0.436 32.136 31.700 0.000 0.000 0.949 780 L N 3.337 124.554 121.223 -0.011 0.000 2.313 780 L HA 0.305 4.645 4.340 -0.000 0.000 0.282 780 L C 0.440 177.219 176.870 -0.152 0.000 1.092 780 L CA 0.499 55.349 54.840 0.016 0.000 0.831 780 L CB -0.523 41.658 42.059 0.204 0.000 1.159 780 L HN 0.415 nan 8.230 nan 0.000 0.442 781 R N 2.186 122.539 120.500 -0.245 0.000 2.764 781 R HA 0.520 4.860 4.340 -0.000 0.000 0.270 781 R C -1.192 174.958 176.300 -0.251 0.000 1.014 781 R CA -1.050 54.787 56.100 -0.439 0.000 0.904 781 R CB 0.526 30.267 30.300 -0.933 0.000 1.236 781 R HN 0.414 nan 8.270 nan 0.000 0.466 782 D N 1.051 121.337 120.400 -0.190 0.000 2.399 782 D HA 0.084 4.724 4.640 -0.000 0.000 0.241 782 D C -0.461 175.442 176.300 -0.661 0.000 1.133 782 D CA 0.464 54.216 54.000 -0.414 0.000 0.890 782 D CB 0.687 41.222 40.800 -0.442 0.000 1.201 782 D HN 0.313 nan 8.370 nan 0.000 0.432 783 Q N 1.236 120.455 119.800 -0.968 0.000 2.305 783 Q HA 0.369 4.709 4.340 -0.000 0.000 0.271 783 Q C -1.195 174.060 176.000 -1.242 0.000 1.046 783 Q CA -0.599 54.687 55.803 -0.861 0.000 0.798 783 Q CB 0.882 29.332 28.738 -0.480 0.000 1.286 783 Q HN 0.559 nan 8.270 nan 0.000 0.435 784 F N 0.636 120.224 119.950 -0.603 0.000 2.729 784 F HA 0.201 4.728 4.527 -0.000 0.000 0.315 784 F C 0.574 175.971 175.800 -0.672 0.000 1.102 784 F CA -0.216 57.334 58.000 -0.750 0.000 1.204 784 F CB 1.556 39.860 39.000 -1.160 0.000 1.052 784 F HN 0.455 nan 8.300 nan 0.000 0.551 785 T N -0.887 113.390 114.554 -0.461 0.000 2.907 785 T HA 0.760 5.110 4.350 -0.000 0.000 0.290 785 T C -0.599 173.862 174.700 -0.399 0.000 1.066 785 T CA -0.976 60.773 62.100 -0.584 0.000 1.012 785 T CB 2.725 71.196 68.868 -0.661 0.000 1.184 785 T HN 0.237 nan 8.240 nan 0.000 0.522 786 R N -0.189 120.114 120.500 -0.329 0.000 2.771 786 R HA 0.757 5.097 4.340 -0.000 0.000 0.274 786 R C -0.906 175.450 176.300 0.093 0.000 0.987 786 R CA -1.184 54.852 56.100 -0.106 0.000 0.908 786 R CB 1.589 31.836 30.300 -0.088 0.000 1.213 786 R HN 0.832 nan 8.270 nan 0.000 0.468 787 A N 3.837 126.696 122.820 0.065 0.000 2.476 787 A HA 0.292 4.612 4.320 -0.000 0.000 0.275 787 A C -1.982 175.665 177.584 0.105 0.000 1.133 787 A CA -1.370 50.707 52.037 0.067 0.000 0.797 787 A CB -0.485 18.499 19.000 -0.026 0.000 1.081 787 A HN 0.567 nan 8.150 nan 0.000 0.510 788 P HA 0.036 nan 4.420 nan 0.000 0.263 788 P C -0.269 177.129 177.300 0.164 0.000 1.175 788 P CA 0.556 63.805 63.100 0.249 0.000 0.761 788 P CB 0.315 32.194 31.700 0.299 0.000 0.794 789 L N 2.200 123.492 121.223 0.115 0.000 2.454 789 L HA 0.237 4.577 4.340 -0.000 0.000 0.256 789 L C 1.837 178.719 176.870 0.019 0.000 1.136 789 L CA -0.628 54.220 54.840 0.014 0.000 0.804 789 L CB 0.029 42.029 42.059 -0.099 0.000 1.181 789 L HN 0.275 nan 8.230 nan 0.000 0.469 790 D N 0.327 120.682 120.400 -0.076 0.000 2.123 790 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 790 D C 1.596 177.825 176.300 -0.118 0.000 0.992 790 D CA 1.445 55.333 54.000 -0.188 0.000 0.833 790 D CB 0.033 40.639 40.800 -0.323 0.000 0.954 790 D HN 0.473 nan 8.370 nan 0.000 0.455 791 N N 1.006 119.653 118.700 -0.089 0.000 2.309 791 N HA -0.107 4.633 4.740 -0.000 0.000 0.182 791 N C 1.093 176.618 175.510 0.026 0.000 1.018 791 N CA 0.678 53.705 53.050 -0.038 0.000 0.876 791 N CB -0.150 38.301 38.487 -0.060 0.000 0.972 791 N HN 0.242 nan 8.380 nan 0.000 0.434 792 D N 0.137 120.564 120.400 0.044 0.000 2.277 792 D HA 0.062 4.702 4.640 -0.000 0.000 0.208 792 D C 1.876 178.229 176.300 0.089 0.000 0.962 792 D CA 0.349 54.410 54.000 0.102 0.000 0.865 792 D CB 0.275 41.193 40.800 0.196 0.000 0.939 792 D HN 0.339 nan 8.370 nan 0.000 0.510 793 I N -0.223 120.385 120.570 0.062 0.000 2.628 793 I HA 0.097 4.267 4.170 -0.000 0.000 0.255 793 I C 1.852 178.002 176.117 0.055 0.000 1.119 793 I CA 0.540 61.869 61.300 0.048 0.000 1.448 793 I CB -0.141 37.866 38.000 0.012 0.000 1.133 793 I HN 0.049 nan 8.210 nan 0.000 0.438 794 G N 1.628 110.475 108.800 0.079 0.000 2.596 794 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.304 794 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.304 794 G C 0.684 175.757 174.900 0.289 0.000 1.189 794 G CA 0.944 46.154 45.100 0.184 0.000 0.986 794 G HN 0.573 nan 8.290 nan 0.000 0.548 795 V N -2.176 117.849 119.914 0.185 0.000 3.271 795 V HA 0.688 4.808 4.120 -0.000 0.000 0.327 795 V C 0.979 177.096 176.094 0.037 0.000 1.389 795 V CA 1.039 63.398 62.300 0.098 0.000 1.156 795 V CB 0.339 32.121 31.823 -0.069 0.000 1.103 795 V HN 1.282 nan 8.190 nan 0.000 0.453 796 S N 1.348 117.073 115.700 0.043 0.000 2.498 796 S HA 0.333 4.803 4.470 -0.000 0.000 0.281 796 S C -0.086 174.529 174.600 0.024 0.000 1.265 796 S CA 0.063 58.273 58.200 0.016 0.000 1.071 796 S CB 0.360 63.566 63.200 0.011 0.000 0.894 796 S HN 0.799 nan 8.310 nan 0.000 0.491 797 E N 2.450 122.657 120.200 0.012 0.000 2.235 797 E HA 0.661 5.011 4.350 -0.000 0.000 0.265 797 E C 0.736 177.348 176.600 0.020 0.000 0.940 797 E CA -0.292 56.121 56.400 0.021 0.000 0.819 797 E CB 1.333 31.040 29.700 0.011 0.000 1.206 797 E HN 0.639 nan 8.360 nan 0.000 0.409 798 A N 0.981 123.819 122.820 0.030 0.000 1.972 798 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 798 A C 2.056 179.652 177.584 0.020 0.000 1.169 798 A CA 2.328 54.382 52.037 0.029 0.000 0.635 798 A CB -0.923 18.100 19.000 0.038 0.000 0.810 798 A HN 0.700 nan 8.150 nan 0.000 0.446 799 T N -2.568 111.996 114.554 0.017 0.000 2.851 799 T HA -0.007 4.343 4.350 -0.000 0.000 0.262 799 T C 1.147 175.846 174.700 -0.001 0.000 1.043 799 T CA 0.919 63.025 62.100 0.010 0.000 1.140 799 T CB -0.102 68.771 68.868 0.009 0.000 0.872 799 T HN 0.311 nan 8.240 nan 0.000 0.446 800 R N 1.134 121.630 120.500 -0.006 0.000 2.402 800 R HA 0.442 4.782 4.340 -0.000 0.000 0.290 800 R C -0.756 175.533 176.300 -0.018 0.000 1.321 800 R CA -0.513 55.577 56.100 -0.018 0.000 1.283 800 R CB 0.175 30.456 30.300 -0.032 0.000 1.111 800 R HN 0.439 nan 8.270 nan 0.000 0.578 801 I N 2.231 122.793 120.570 -0.013 0.000 2.648 801 I HA -0.066 4.104 4.170 -0.000 0.000 0.284 801 I C 0.196 176.297 176.117 -0.026 0.000 1.153 801 I CA 0.545 61.837 61.300 -0.013 0.000 1.426 801 I CB 0.731 38.726 38.000 -0.008 0.000 1.381 801 I HN 0.431 nan 8.210 nan 0.000 0.571 802 D N 9.400 129.783 120.400 -0.029 0.000 2.472 802 D HA 0.262 4.902 4.640 -0.000 0.000 0.234 802 D C -1.677 174.584 176.300 -0.065 0.000 1.088 802 D CA -2.304 51.669 54.000 -0.044 0.000 0.882 802 D CB 1.350 42.129 40.800 -0.036 0.000 1.037 802 D HN 0.154 nan 8.370 nan 0.000 0.520 803 P HA -0.079 nan 4.420 nan 0.000 0.226 803 P C 0.488 177.694 177.300 -0.156 0.000 1.146 803 P CA 0.697 63.739 63.100 -0.097 0.000 0.773 803 P CB 0.375 32.028 31.700 -0.080 0.000 0.772 804 N N -0.459 118.142 118.700 -0.164 0.000 2.373 804 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 804 N C 0.803 176.113 175.510 -0.333 0.000 1.082 804 N CA 0.073 52.974 53.050 -0.249 0.000 0.885 804 N CB 0.022 38.389 38.487 -0.201 0.000 0.977 804 N HN 0.083 nan 8.380 nan 0.000 0.462 805 A N 0.351 123.037 122.820 -0.223 0.000 2.498 805 A HA 0.029 4.349 4.320 -0.000 0.000 0.239 805 A C 0.776 178.164 177.584 -0.326 0.000 1.068 805 A CA -0.326 51.590 52.037 -0.202 0.000 0.766 805 A CB 0.004 18.958 19.000 -0.077 0.000 1.003 805 A HN 0.319 nan 8.150 nan 0.000 0.497 806 W N 1.867 122.919 121.300 -0.414 0.000 2.302 806 W HA -0.219 4.441 4.660 -0.000 0.000 0.320 806 W C 2.248 178.188 176.519 -0.966 0.000 1.241 806 W CA 1.941 58.773 57.345 -0.855 0.000 1.264 806 W CB -0.421 28.421 29.460 -1.031 0.000 1.154 806 W HN 0.558 nan 8.180 nan 0.000 0.483 807 V N 0.772 120.556 119.914 -0.216 0.000 2.392 807 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 807 V C 2.210 178.379 176.094 0.126 0.000 1.059 807 V CA 2.174 64.565 62.300 0.152 0.000 1.051 807 V CB -0.409 31.548 31.823 0.223 0.000 0.658 807 V HN 0.085 nan 8.190 nan 0.000 0.455 808 E N 0.031 120.219 120.200 -0.020 0.000 2.106 808 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 808 E C 2.362 178.933 176.600 -0.047 0.000 0.984 808 E CA 1.145 57.533 56.400 -0.019 0.000 0.806 808 E CB -0.347 29.319 29.700 -0.057 0.000 0.750 808 E HN 0.624 nan 8.360 nan 0.000 0.458 809 R N -0.389 120.004 120.500 -0.179 0.000 2.090 809 R HA -0.085 4.255 4.340 -0.000 0.000 0.228 809 R C 2.226 178.480 176.300 -0.076 0.000 1.110 809 R CA 0.840 56.819 56.100 -0.201 0.000 0.973 809 R CB -0.213 29.844 30.300 -0.406 0.000 0.869 809 R HN 0.264 nan 8.270 nan 0.000 0.440 810 W N 1.866 123.139 121.300 -0.044 0.000 2.381 810 W HA -0.004 4.656 4.660 -0.000 0.000 0.301 810 W C 2.005 178.491 176.519 -0.055 0.000 1.205 810 W CA 0.365 57.580 57.345 -0.216 0.000 1.285 810 W CB -0.601 28.842 29.460 -0.028 0.000 1.133 810 W HN 0.083 nan 8.180 nan 0.000 0.521 811 K N 0.155 120.802 120.400 0.412 0.000 2.009 811 K HA -0.139 4.181 4.320 -0.000 0.000 0.210 811 K C 2.189 178.880 176.600 0.151 0.000 1.049 811 K CA 1.903 58.390 56.287 0.334 0.000 0.929 811 K CB -0.585 32.045 32.500 0.217 0.000 0.714 811 K HN -0.020 nan 8.250 nan 0.000 0.440 812 A N 0.955 123.831 122.820 0.093 0.000 2.070 812 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 812 A C 2.113 179.724 177.584 0.046 0.000 1.159 812 A CA 1.737 53.809 52.037 0.058 0.000 0.656 812 A CB -0.407 18.609 19.000 0.027 0.000 0.800 812 A HN 0.368 nan 8.150 nan 0.000 0.453 813 A N -1.932 120.894 122.820 0.011 0.000 2.218 813 A HA 0.417 4.737 4.320 -0.000 0.000 0.209 813 A C 1.753 179.318 177.584 -0.032 0.000 1.168 813 A CA 1.171 53.227 52.037 0.031 0.000 0.804 813 A CB -0.734 18.259 19.000 -0.012 0.000 0.834 813 A HN 1.839 nan 8.150 nan 0.000 0.482 814 G N -1.410 107.284 108.800 -0.175 0.000 2.132 814 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.234 814 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.234 814 G C 0.543 175.415 174.900 -0.048 0.000 0.989 814 G CA 0.617 45.395 45.100 -0.538 0.000 0.676 814 G HN 0.737 nan 8.290 nan 0.000 0.522 815 H N -1.508 117.533 119.070 -0.047 0.000 2.387 815 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 815 H C 2.174 177.463 175.328 -0.064 0.000 1.099 815 H CA 1.575 57.594 56.048 -0.048 0.000 1.315 815 H CB 0.104 29.762 29.762 -0.174 0.000 1.380 815 H HN 0.621 nan 8.280 nan 0.000 0.513 816 Y N 0.790 121.200 120.300 0.184 0.000 2.516 816 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 816 Y C 1.933 177.902 175.900 0.115 0.000 1.131 816 Y CA 0.653 58.825 58.100 0.120 0.000 1.281 816 Y CB 0.389 38.908 38.460 0.099 0.000 1.013 816 Y HN 0.350 nan 8.280 nan 0.000 0.554 817 Q N -0.490 119.447 119.800 0.228 0.000 2.110 817 Q HA 0.467 4.807 4.340 -0.000 0.000 0.232 817 Q C -0.049 176.106 176.000 0.258 0.000 0.810 817 Q CA -0.344 55.589 55.803 0.217 0.000 1.083 817 Q CB 0.474 29.328 28.738 0.193 0.000 1.193 817 Q HN 0.130 nan 8.270 nan 0.000 0.471 818 A N 1.244 124.233 122.820 0.281 0.000 2.386 818 A HA 0.312 4.632 4.320 -0.000 0.000 0.248 818 A C -0.120 177.725 177.584 0.436 0.000 1.082 818 A CA -0.182 52.079 52.037 0.373 0.000 0.789 818 A CB 0.482 19.727 19.000 0.408 0.000 1.025 818 A HN 0.289 nan 8.150 nan 0.000 0.490 819 E N 0.775 121.177 120.200 0.336 0.000 2.133 819 E HA 0.470 4.820 4.350 -0.000 0.000 0.274 819 E C -0.138 176.438 176.600 -0.040 0.000 0.930 819 E CA -0.210 56.301 56.400 0.185 0.000 0.770 819 E CB 1.697 31.476 29.700 0.131 0.000 1.104 819 E HN 0.717 nan 8.360 nan 0.000 0.403 820 A N 2.459 125.141 122.820 -0.230 0.000 2.401 820 A HA 0.579 4.899 4.320 -0.000 0.000 0.259 820 A C -0.175 177.248 177.584 -0.268 0.000 1.103 820 A CA -0.128 51.498 52.037 -0.685 0.000 0.789 820 A CB 0.480 19.098 19.000 -0.636 0.000 1.035 820 A HN 0.546 nan 8.150 nan 0.000 0.491 821 A N 2.313 124.973 122.820 -0.267 0.000 2.343 821 A HA 0.579 4.899 4.320 -0.000 0.000 0.308 821 A C -0.643 176.868 177.584 -0.121 0.000 1.092 821 A CA -0.552 51.416 52.037 -0.116 0.000 0.751 821 A CB 0.733 19.687 19.000 -0.077 0.000 1.203 821 A HN 1.329 nan 8.150 nan 0.000 0.452 822 L N 3.188 124.329 121.223 -0.137 0.000 2.410 822 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 822 L C 0.370 177.113 176.870 -0.212 0.000 1.144 822 L CA 0.320 54.979 54.840 -0.301 0.000 0.863 822 L CB 0.272 42.149 42.059 -0.303 0.000 1.140 822 L HN 0.782 nan 8.230 nan 0.000 0.463 823 L N 3.635 124.717 121.223 -0.236 0.000 2.470 823 L HA 0.289 4.629 4.340 -0.000 0.000 0.219 823 L C 0.290 177.093 176.870 -0.113 0.000 1.071 823 L CA 0.093 54.859 54.840 -0.123 0.000 0.850 823 L CB 0.073 42.092 42.059 -0.067 0.000 1.040 823 L HN 0.793 nan 8.230 nan 0.000 0.475 824 Q N -0.369 119.333 119.800 -0.163 0.000 2.468 824 Q HA 0.259 4.599 4.340 -0.000 0.000 0.263 824 Q C -1.890 174.052 176.000 -0.097 0.000 0.979 824 Q CA -0.646 55.099 55.803 -0.097 0.000 0.932 824 Q CB 2.404 31.113 28.738 -0.048 0.000 1.462 824 Q HN 0.024 nan 8.270 nan 0.000 0.403 825 C N 3.543 122.827 119.300 -0.027 0.000 2.919 825 C HA 0.728 5.188 4.460 -0.000 0.000 0.337 825 C C -0.671 174.408 174.990 0.147 0.000 1.039 825 C CA 0.604 59.651 59.018 0.048 0.000 1.373 825 C CB 0.360 28.128 27.740 0.046 0.000 1.843 825 C HN 0.807 nan 8.230 nan 0.000 0.493 826 T N 2.541 117.125 114.554 0.050 0.000 2.912 826 T HA 0.885 5.235 4.350 -0.000 0.000 0.288 826 T C -0.352 174.181 174.700 -0.279 0.000 1.030 826 T CA -0.143 61.931 62.100 -0.044 0.000 1.020 826 T CB 1.906 70.746 68.868 -0.047 0.000 1.056 826 T HN 1.702 nan 8.240 nan 0.000 0.480 827 A N 2.192 124.727 122.820 -0.475 0.000 2.393 827 A HA 0.758 5.078 4.320 -0.000 0.000 0.306 827 A C -1.187 176.173 177.584 -0.372 0.000 1.050 827 A CA -0.739 50.917 52.037 -0.635 0.000 0.724 827 A CB 1.414 19.642 19.000 -1.286 0.000 1.248 827 A HN 0.889 nan 8.150 nan 0.000 0.424 828 D N 0.695 120.929 120.400 -0.277 0.000 2.661 828 D HA 0.524 5.164 4.640 -0.000 0.000 0.228 828 D C -1.148 175.068 176.300 -0.140 0.000 1.183 828 D CA -0.009 53.888 54.000 -0.171 0.000 0.844 828 D CB 2.473 43.202 40.800 -0.119 0.000 1.555 828 D HN 0.436 nan 8.370 nan 0.000 0.453 829 T N 1.435 115.932 114.554 -0.096 0.000 2.772 829 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 829 T C 0.171 174.843 174.700 -0.046 0.000 0.994 829 T CA -0.579 61.482 62.100 -0.065 0.000 0.951 829 T CB 0.995 69.839 68.868 -0.040 0.000 0.933 829 T HN 0.047 nan 8.240 nan 0.000 0.447 830 L N 1.674 122.871 121.223 -0.043 0.000 2.440 830 L HA 0.704 5.044 4.340 -0.000 0.000 0.262 830 L C 1.732 178.591 176.870 -0.019 0.000 1.072 830 L CA -0.412 54.409 54.840 -0.031 0.000 0.798 830 L CB 0.155 42.194 42.059 -0.033 0.000 1.307 830 L HN 0.708 nan 8.230 nan 0.000 0.475 831 A N -0.661 122.152 122.820 -0.013 0.000 2.016 831 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 831 A C 0.997 178.579 177.584 -0.003 0.000 1.162 831 A CA 1.479 53.513 52.037 -0.005 0.000 0.662 831 A CB -0.636 18.363 19.000 -0.002 0.000 0.812 831 A HN 0.854 nan 8.150 nan 0.000 0.450 832 D N -1.744 118.651 120.400 -0.008 0.000 2.441 832 D HA 0.541 5.181 4.640 -0.000 0.000 0.210 832 D C 0.403 176.693 176.300 -0.016 0.000 1.102 832 D CA 0.754 54.750 54.000 -0.007 0.000 0.840 832 D CB 0.590 41.387 40.800 -0.005 0.000 0.990 832 D HN 0.465 nan 8.370 nan 0.000 0.505 833 A N -0.356 122.449 122.820 -0.026 0.000 2.467 833 A HA 0.598 4.918 4.320 -0.000 0.000 0.301 833 A C -1.759 175.788 177.584 -0.060 0.000 1.126 833 A CA -0.766 51.244 52.037 -0.044 0.000 0.632 833 A CB 0.677 19.647 19.000 -0.050 0.000 1.331 833 A HN -0.048 nan 8.150 nan 0.000 0.482 834 V N 0.330 120.189 119.914 -0.092 0.000 2.547 834 V HA 0.680 4.800 4.120 -0.000 0.000 0.299 834 V C -0.838 175.173 176.094 -0.140 0.000 1.040 834 V CA -0.429 61.798 62.300 -0.120 0.000 0.913 834 V CB 1.337 33.077 31.823 -0.139 0.000 0.992 834 V HN 0.843 nan 8.190 nan 0.000 0.449 835 L N 5.934 127.066 121.223 -0.152 0.000 2.376 835 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 835 L C -0.911 175.837 176.870 -0.204 0.000 0.987 835 L CA -0.008 54.749 54.840 -0.139 0.000 0.828 835 L CB 1.397 43.398 42.059 -0.096 0.000 1.249 835 L HN 0.418 nan 8.230 nan 0.000 0.409 836 I N 3.617 124.070 120.570 -0.195 0.000 2.474 836 I HA 0.513 4.683 4.170 -0.000 0.000 0.294 836 I C -0.164 175.934 176.117 -0.031 0.000 1.005 836 I CA -0.373 60.770 61.300 -0.261 0.000 1.113 836 I CB 1.841 39.485 38.000 -0.594 0.000 1.289 836 I HN 0.526 nan 8.210 nan 0.000 0.436 837 T N 4.180 118.711 114.554 -0.039 0.000 2.879 837 T HA 0.634 4.984 4.350 -0.000 0.000 0.290 837 T C -0.080 174.660 174.700 0.066 0.000 0.993 837 T CA -0.488 61.636 62.100 0.041 0.000 0.975 837 T CB 1.872 70.737 68.868 -0.006 0.000 0.981 837 T HN 0.824 nan 8.240 nan 0.000 0.439 838 T N -0.223 114.411 114.554 0.133 0.000 2.906 838 T HA 0.900 5.250 4.350 -0.000 0.000 0.295 838 T C -1.155 173.594 174.700 0.082 0.000 1.075 838 T CA -1.058 61.095 62.100 0.089 0.000 1.005 838 T CB 2.052 71.046 68.868 0.209 0.000 1.136 838 T HN 0.769 nan 8.240 nan 0.000 0.498 839 A N 1.478 124.265 122.820 -0.056 0.000 2.459 839 A HA 0.758 5.078 4.320 -0.000 0.000 0.296 839 A C -1.454 176.041 177.584 -0.148 0.000 1.039 839 A CA -0.780 51.272 52.037 0.025 0.000 0.698 839 A CB 0.841 19.858 19.000 0.029 0.000 1.261 839 A HN 1.000 nan 8.150 nan 0.000 0.405 840 H N 0.105 119.232 119.070 0.095 0.000 2.821 840 H HA 0.816 5.372 4.556 -0.000 0.000 0.373 840 H C -0.070 175.292 175.328 0.056 0.000 1.165 840 H CA 0.203 56.228 56.048 -0.038 0.000 1.154 840 H CB 2.153 31.784 29.762 -0.219 0.000 1.765 840 H HN 1.004 nan 8.280 nan 0.000 0.549 841 A N 1.570 124.418 122.820 0.047 0.000 2.371 841 A HA 0.448 4.768 4.320 -0.000 0.000 0.311 841 A C -1.405 176.216 177.584 0.060 0.000 1.068 841 A CA -0.719 51.420 52.037 0.169 0.000 0.744 841 A CB 1.222 20.284 19.000 0.103 0.000 1.239 841 A HN 0.589 nan 8.150 nan 0.000 0.435 842 W N 2.047 123.455 121.300 0.181 0.000 2.349 842 W HA 0.431 5.091 4.660 -0.000 0.000 0.309 842 W C -0.349 176.188 176.519 0.029 0.000 1.083 842 W CA -0.171 57.271 57.345 0.163 0.000 1.224 842 W CB 1.654 31.274 29.460 0.266 0.000 1.256 842 W HN 0.776 nan 8.180 nan 0.000 0.461 843 Q N 1.659 121.595 119.800 0.227 0.000 2.458 843 Q HA 0.463 4.803 4.340 -0.000 0.000 0.282 843 Q C -0.947 175.190 176.000 0.228 0.000 1.106 843 Q CA -0.945 54.951 55.803 0.154 0.000 0.814 843 Q CB 3.549 32.338 28.738 0.086 0.000 1.425 843 Q HN 0.410 nan 8.270 nan 0.000 0.437 844 H N 1.069 120.171 119.070 0.053 0.000 3.224 844 H HA 0.071 4.627 4.556 -0.000 0.000 0.331 844 H C -1.010 174.348 175.328 0.049 0.000 1.002 844 H CA -0.062 56.027 56.048 0.068 0.000 1.473 844 H CB 1.028 30.841 29.762 0.085 0.000 1.830 844 H HN 0.887 nan 8.280 nan 0.000 0.485 845 Q N 3.269 122.820 119.800 -0.414 0.000 2.453 845 Q HA -0.259 4.081 4.340 -0.000 0.000 0.294 845 Q C 0.971 176.901 176.000 -0.116 0.000 1.295 845 Q CA 1.252 56.869 55.803 -0.311 0.000 0.853 845 Q CB -1.314 27.163 28.738 -0.436 0.000 1.193 845 Q HN 1.194 nan 8.270 nan 0.000 0.461 846 G N -0.393 108.373 108.800 -0.055 0.000 2.268 846 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.240 846 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.240 846 G C 0.073 174.974 174.900 0.003 0.000 1.010 846 G CA 0.366 45.455 45.100 -0.019 0.000 0.618 846 G HN 0.351 nan 8.290 nan 0.000 0.516 847 K N 1.458 121.866 120.400 0.014 0.000 2.156 847 K HA 0.601 4.921 4.320 -0.000 0.000 0.271 847 K C -0.285 176.327 176.600 0.019 0.000 0.995 847 K CA -0.057 56.242 56.287 0.022 0.000 0.890 847 K CB 0.794 33.313 32.500 0.032 0.000 1.073 847 K HN 0.015 nan 8.250 nan 0.000 0.454 848 T N 5.833 120.388 114.554 0.003 0.000 2.727 848 T HA 0.197 4.547 4.350 -0.000 0.000 0.298 848 T C 1.173 175.813 174.700 -0.100 0.000 0.942 848 T CA -0.412 61.686 62.100 -0.004 0.000 0.997 848 T CB 0.362 69.246 68.868 0.027 0.000 0.917 848 T HN 0.536 nan 8.240 nan 0.000 0.487 849 L N 2.343 123.403 121.223 -0.273 0.000 2.102 849 L HA 0.314 4.654 4.340 -0.000 0.000 0.202 849 L C -0.012 176.351 176.870 -0.845 0.000 1.076 849 L CA 0.967 55.369 54.840 -0.730 0.000 0.761 849 L CB -0.029 41.190 42.059 -1.399 0.000 0.921 849 L HN 0.514 nan 8.230 nan 0.000 0.444 850 F N -1.387 118.524 119.950 -0.064 0.000 2.626 850 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 850 F C -0.508 175.400 175.800 0.180 0.000 1.088 850 F CA -0.885 57.044 58.000 -0.119 0.000 0.949 850 F CB 1.928 40.531 39.000 -0.661 0.000 1.322 850 F HN -0.343 nan 8.300 nan 0.000 0.461 851 I N 1.363 122.177 120.570 0.407 0.000 2.533 851 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 851 I C -0.963 175.424 176.117 0.451 0.000 1.056 851 I CA -0.579 60.981 61.300 0.433 0.000 1.057 851 I CB 2.270 40.434 38.000 0.273 0.000 1.240 851 I HN 0.562 nan 8.210 nan 0.000 0.423 852 S N 6.715 122.774 115.700 0.599 0.000 2.552 852 S HA 0.579 5.049 4.470 -0.000 0.000 0.314 852 S C -0.779 174.073 174.600 0.420 0.000 1.099 852 S CA -0.677 57.843 58.200 0.533 0.000 1.070 852 S CB 0.777 64.415 63.200 0.729 0.000 0.998 852 S HN 0.572 nan 8.310 nan 0.000 0.474 853 R N 3.563 124.229 120.500 0.277 0.000 2.437 853 R HA 0.554 4.894 4.340 -0.000 0.000 0.310 853 R C -0.643 175.731 176.300 0.124 0.000 0.955 853 R CA -0.769 55.450 56.100 0.198 0.000 0.851 853 R CB 1.854 32.242 30.300 0.148 0.000 1.161 853 R HN 0.561 nan 8.270 nan 0.000 0.446 854 K N 0.674 121.137 120.400 0.106 0.000 2.378 854 K HA 0.538 4.858 4.320 -0.000 0.000 0.244 854 K C -0.662 175.907 176.600 -0.051 0.000 1.039 854 K CA -0.956 55.307 56.287 -0.040 0.000 0.863 854 K CB 2.391 34.806 32.500 -0.142 0.000 1.326 854 K HN 0.615 nan 8.250 nan 0.000 0.460 855 T N -1.393 113.052 114.554 -0.182 0.000 2.952 855 T HA 0.531 4.881 4.350 -0.000 0.000 0.305 855 T C -1.457 173.130 174.700 -0.188 0.000 1.064 855 T CA -0.772 61.276 62.100 -0.087 0.000 1.008 855 T CB 0.417 69.267 68.868 -0.029 0.000 1.078 855 T HN 0.412 nan 8.240 nan 0.000 0.459 856 Y N 1.128 121.412 120.300 -0.028 0.000 2.350 856 Y HA 0.717 5.267 4.550 -0.000 0.000 0.338 856 Y C 0.396 176.242 175.900 -0.090 0.000 0.961 856 Y CA -1.114 56.977 58.100 -0.014 0.000 1.100 856 Y CB 2.089 40.568 38.460 0.032 0.000 1.179 856 Y HN 0.817 nan 8.280 nan 0.000 0.454 857 R N 4.080 124.620 120.500 0.066 0.000 2.451 857 R HA 0.677 5.017 4.340 -0.000 0.000 0.307 857 R C -1.992 174.262 176.300 -0.076 0.000 0.965 857 R CA -0.406 55.681 56.100 -0.023 0.000 0.865 857 R CB 0.689 30.981 30.300 -0.012 0.000 1.174 857 R HN 0.810 nan 8.270 nan 0.000 0.455 858 I N 5.239 125.710 120.570 -0.165 0.000 2.330 858 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 858 I C -0.256 175.758 176.117 -0.173 0.000 1.001 858 I CA -0.787 60.349 61.300 -0.274 0.000 1.193 858 I CB 1.374 39.039 38.000 -0.559 0.000 1.345 858 I HN 0.705 nan 8.210 nan 0.000 0.461 859 D N 4.439 124.771 120.400 -0.113 0.000 2.549 859 D HA 0.230 4.870 4.640 -0.000 0.000 0.270 859 D C 1.261 177.542 176.300 -0.031 0.000 1.181 859 D CA -0.791 53.175 54.000 -0.056 0.000 1.070 859 D CB 0.876 41.660 40.800 -0.028 0.000 1.154 859 D HN 0.474 nan 8.370 nan 0.000 0.602 860 G N -1.375 107.417 108.800 -0.013 0.000 2.625 860 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.214 860 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.214 860 G C 1.089 175.990 174.900 0.002 0.000 1.132 860 G CA 0.941 46.041 45.100 0.000 0.000 0.782 860 G HN 0.533 nan 8.290 nan 0.000 0.538 861 S N -1.216 114.486 115.700 0.003 0.000 2.575 861 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 861 S C 1.746 176.384 174.600 0.063 0.000 0.966 861 S CA 0.880 59.089 58.200 0.014 0.000 0.911 861 S CB 0.139 63.342 63.200 0.005 0.000 0.780 861 S HN 1.380 nan 8.310 nan 0.000 0.514 862 G N 0.653 109.509 108.800 0.095 0.000 2.143 862 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.249 862 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.249 862 G C -0.251 174.768 174.900 0.197 0.000 0.981 862 G CA 0.047 45.277 45.100 0.218 0.000 0.665 862 G HN 0.602 nan 8.290 nan 0.000 0.528 863 Q N -0.494 119.356 119.800 0.085 0.000 2.241 863 Q HA 0.666 5.006 4.340 -0.000 0.000 0.254 863 Q C 0.148 176.158 176.000 0.017 0.000 0.917 863 Q CA -0.400 55.456 55.803 0.087 0.000 0.919 863 Q CB 1.596 30.381 28.738 0.077 0.000 1.237 863 Q HN 0.417 nan 8.270 nan 0.000 0.434 864 M N 2.131 121.773 119.600 0.069 0.000 2.114 864 M HA 0.556 5.036 4.480 -0.000 0.000 0.332 864 M C -1.500 174.887 176.300 0.146 0.000 1.014 864 M CA -0.513 54.808 55.300 0.034 0.000 0.956 864 M CB 1.088 33.704 32.600 0.027 0.000 1.551 864 M HN 0.710 nan 8.290 nan 0.000 0.427 865 A N 6.830 129.710 122.820 0.099 0.000 2.288 865 A HA 0.765 5.085 4.320 -0.000 0.000 0.320 865 A C -0.933 176.694 177.584 0.071 0.000 1.217 865 A CA -0.670 51.429 52.037 0.103 0.000 0.840 865 A CB 0.510 19.550 19.000 0.068 0.000 1.179 865 A HN 0.917 nan 8.150 nan 0.000 0.504 866 I N 1.536 122.135 120.570 0.048 0.000 2.474 866 I HA 0.433 4.603 4.170 -0.000 0.000 0.294 866 I C -0.133 175.889 176.117 -0.160 0.000 1.005 866 I CA -0.304 60.936 61.300 -0.099 0.000 1.113 866 I CB 2.460 40.426 38.000 -0.057 0.000 1.289 866 I HN 0.507 nan 8.210 nan 0.000 0.436 867 T N 5.222 119.629 114.554 -0.244 0.000 2.841 867 T HA 0.543 4.893 4.350 -0.000 0.000 0.285 867 T C -0.637 173.861 174.700 -0.338 0.000 0.991 867 T CA -0.400 61.549 62.100 -0.251 0.000 0.966 867 T CB 1.731 70.544 68.868 -0.090 0.000 0.962 867 T HN 0.216 nan 8.240 nan 0.000 0.438 868 V N 4.013 123.599 119.914 -0.547 0.000 2.540 868 V HA 0.545 4.665 4.120 -0.000 0.000 0.302 868 V C -0.692 175.230 176.094 -0.288 0.000 1.035 868 V CA -0.907 61.103 62.300 -0.482 0.000 0.873 868 V CB 2.043 33.325 31.823 -0.901 0.000 0.992 868 V HN 0.831 nan 8.190 nan 0.000 0.428 869 D N 3.301 123.703 120.400 0.003 0.000 2.549 869 D HA 0.520 5.160 4.640 -0.000 0.000 0.251 869 D C -1.053 175.375 176.300 0.213 0.000 1.153 869 D CA -0.105 53.996 54.000 0.168 0.000 0.861 869 D CB 2.780 43.705 40.800 0.207 0.000 1.207 869 D HN 0.269 nan 8.370 nan 0.000 0.543 870 V N 2.192 122.270 119.914 0.273 0.000 2.628 870 V HA 0.352 4.472 4.120 -0.000 0.000 0.306 870 V C 0.046 176.291 176.094 0.251 0.000 1.045 870 V CA -0.698 61.775 62.300 0.289 0.000 0.905 870 V CB 2.511 34.537 31.823 0.339 0.000 0.997 870 V HN 0.374 nan 8.190 nan 0.000 0.436 871 E N 2.175 122.510 120.200 0.226 0.000 2.222 871 E HA 0.635 4.985 4.350 -0.000 0.000 0.267 871 E C -1.611 175.115 176.600 0.209 0.000 0.884 871 E CA -0.621 55.890 56.400 0.185 0.000 0.764 871 E CB 2.657 32.447 29.700 0.151 0.000 1.169 871 E HN 0.412 nan 8.360 nan 0.000 0.413 872 V N 2.076 122.114 119.914 0.206 0.000 2.409 872 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 872 V C 0.085 176.275 176.094 0.161 0.000 1.020 872 V CA -0.932 61.513 62.300 0.242 0.000 0.848 872 V CB 1.447 33.445 31.823 0.292 0.000 0.990 872 V HN 0.838 nan 8.190 nan 0.000 0.430 873 A N 3.523 126.399 122.820 0.092 0.000 2.548 873 A HA 0.249 4.569 4.320 -0.000 0.000 0.247 873 A C 1.648 179.300 177.584 0.114 0.000 1.067 873 A CA 0.653 52.730 52.037 0.066 0.000 0.757 873 A CB 0.221 19.225 19.000 0.007 0.000 0.996 873 A HN 1.377 nan 8.150 nan 0.000 0.504 874 S N 1.396 117.160 115.700 0.107 0.000 2.442 874 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 874 S C 0.847 175.525 174.600 0.130 0.000 1.007 874 S CA 1.349 59.630 58.200 0.135 0.000 0.965 874 S CB -0.264 62.995 63.200 0.097 0.000 0.773 874 S HN 0.815 nan 8.310 nan 0.000 0.504 875 D N 0.168 120.622 120.400 0.089 0.000 2.368 875 D HA 0.151 4.791 4.640 -0.000 0.000 0.218 875 D C 0.365 176.704 176.300 0.065 0.000 1.112 875 D CA -0.073 53.965 54.000 0.064 0.000 0.834 875 D CB -0.262 40.562 40.800 0.040 0.000 0.953 875 D HN 0.282 nan 8.370 nan 0.000 0.505 876 T N 1.273 115.893 114.554 0.109 0.000 2.902 876 T HA 0.422 4.772 4.350 -0.000 0.000 0.283 876 T C -2.651 172.163 174.700 0.190 0.000 1.009 876 T CA -1.991 60.203 62.100 0.157 0.000 1.051 876 T CB 1.320 70.291 68.868 0.171 0.000 0.999 876 T HN -0.170 nan 8.240 nan 0.000 0.474 877 P HA 0.117 nan 4.420 nan 0.000 0.265 877 P C -0.477 177.111 177.300 0.481 0.000 1.193 877 P CA -0.130 63.061 63.100 0.152 0.000 0.765 877 P CB 0.142 31.922 31.700 0.134 0.000 0.823 878 H N 3.215 122.645 119.070 0.600 0.000 3.001 878 H HA 0.080 4.636 4.556 -0.000 0.000 0.334 878 H C -1.837 173.847 175.328 0.594 0.000 1.034 878 H CA -1.523 54.827 56.048 0.505 0.000 1.420 878 H CB -0.875 29.126 29.762 0.399 0.000 1.405 878 H HN 0.333 nan 8.280 nan 0.000 0.593 879 P HA 0.094 nan 4.420 nan 0.000 0.274 879 P C 0.334 177.552 177.300 -0.137 0.000 1.231 879 P CA -0.330 62.837 63.100 0.112 0.000 0.790 879 P CB 0.832 32.465 31.700 -0.111 0.000 0.951 880 A N 3.265 125.760 122.820 -0.541 0.000 1.969 880 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 880 A C 1.059 178.275 177.584 -0.613 0.000 1.169 880 A CA 1.413 53.094 52.037 -0.593 0.000 0.635 880 A CB -0.541 17.928 19.000 -0.886 0.000 0.810 880 A HN 0.757 nan 8.150 nan 0.000 0.445 881 R N -2.874 117.300 120.500 -0.544 0.000 2.728 881 R HA 0.717 5.057 4.340 -0.000 0.000 0.274 881 R C -1.833 174.231 176.300 -0.394 0.000 1.030 881 R CA -0.804 54.991 56.100 -0.508 0.000 0.876 881 R CB 0.667 30.607 30.300 -0.600 0.000 1.259 881 R HN 0.005 nan 8.270 nan 0.000 0.468 882 I N 1.270 121.636 120.570 -0.339 0.000 2.517 882 I HA 0.631 4.801 4.170 -0.000 0.000 0.280 882 I C -0.444 175.433 176.117 -0.399 0.000 1.061 882 I CA -0.374 60.740 61.300 -0.309 0.000 1.091 882 I CB 1.839 39.725 38.000 -0.190 0.000 1.205 882 I HN 0.975 nan 8.210 nan 0.000 0.459 883 G N 5.819 114.326 108.800 -0.487 0.000 2.650 883 G HA2 0.763 4.723 3.960 -0.000 0.000 0.310 883 G HA3 0.763 4.723 3.960 -0.000 0.000 0.310 883 G C -1.723 172.978 174.900 -0.332 0.000 1.270 883 G CA -0.575 44.279 45.100 -0.410 0.000 0.810 883 G HN 0.273 nan 8.290 nan 0.000 0.493 884 L N 0.755 121.836 121.223 -0.236 0.000 2.333 884 L HA 0.661 5.001 4.340 -0.000 0.000 0.263 884 L C -0.751 176.001 176.870 -0.196 0.000 1.014 884 L CA -1.141 53.586 54.840 -0.188 0.000 0.820 884 L CB 2.536 44.553 42.059 -0.070 0.000 1.352 884 L HN 0.809 nan 8.230 nan 0.000 0.421 885 N N 0.533 119.145 118.700 -0.147 0.000 2.610 885 N HA 0.736 5.476 4.740 -0.000 0.000 0.264 885 N C -1.236 174.268 175.510 -0.009 0.000 1.348 885 N CA -0.599 52.406 53.050 -0.076 0.000 0.819 885 N CB 2.254 40.725 38.487 -0.026 0.000 1.521 885 N HN 0.864 nan 8.380 nan 0.000 0.497 886 C N -1.615 117.706 119.300 0.035 0.000 3.292 886 C HA 0.572 5.032 4.460 -0.000 0.000 0.338 886 C C -1.230 173.607 174.990 -0.254 0.000 1.323 886 C CA -0.879 58.112 59.018 -0.044 0.000 1.232 886 C CB 0.935 28.655 27.740 -0.034 0.000 1.517 886 C HN 0.867 nan 8.230 nan 0.000 0.470 887 Q N 1.449 120.889 119.800 -0.600 0.000 2.368 887 Q HA 0.655 4.995 4.340 -0.000 0.000 0.256 887 Q C -0.984 174.725 176.000 -0.486 0.000 0.980 887 Q CA -0.419 54.780 55.803 -1.006 0.000 0.887 887 Q CB 0.815 28.608 28.738 -1.575 0.000 1.221 887 Q HN 0.762 nan 8.270 nan 0.000 0.458 888 L N 2.571 123.605 121.223 -0.316 0.000 2.395 888 L HA 0.290 4.630 4.340 -0.000 0.000 0.269 888 L C 1.226 178.019 176.870 -0.128 0.000 1.133 888 L CA -0.250 54.520 54.840 -0.116 0.000 0.812 888 L CB 0.854 42.954 42.059 0.067 0.000 1.125 888 L HN 0.810 nan 8.230 nan 0.000 0.452 889 A N 1.975 124.745 122.820 -0.083 0.000 1.930 889 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 889 A C 1.174 178.731 177.584 -0.044 0.000 1.175 889 A CA 0.762 52.747 52.037 -0.087 0.000 0.627 889 A CB -0.288 18.658 19.000 -0.091 0.000 0.815 889 A HN 0.795 nan 8.150 nan 0.000 0.443 890 Q N -0.496 119.308 119.800 0.006 0.000 2.417 890 Q HA 0.433 4.773 4.340 -0.000 0.000 0.241 890 Q C -1.127 174.897 176.000 0.040 0.000 1.008 890 Q CA 0.372 56.178 55.803 0.006 0.000 0.901 890 Q CB 0.840 29.603 28.738 0.042 0.000 1.259 890 Q HN 0.167 nan 8.270 nan 0.000 0.489 891 V N 2.554 122.455 119.914 -0.021 0.000 2.567 891 V HA 0.771 4.891 4.120 -0.000 0.000 0.298 891 V C -0.846 175.197 176.094 -0.084 0.000 1.047 891 V CA -0.171 62.144 62.300 0.024 0.000 0.880 891 V CB 1.162 32.998 31.823 0.021 0.000 1.009 891 V HN 0.928 nan 8.190 nan 0.000 0.429 892 A N 3.201 125.931 122.820 -0.151 0.000 2.347 892 A HA 0.912 5.232 4.320 -0.000 0.000 0.301 892 A C 0.535 178.140 177.584 0.035 0.000 1.163 892 A CA -0.310 51.600 52.037 -0.211 0.000 0.860 892 A CB 1.566 20.219 19.000 -0.579 0.000 1.367 892 A HN 0.680 nan 8.150 nan 0.000 0.461 893 E N -0.155 120.059 120.200 0.023 0.000 2.102 893 E HA 0.094 4.444 4.350 -0.000 0.000 0.190 893 E C 0.394 177.075 176.600 0.135 0.000 0.971 893 E CA 1.070 57.515 56.400 0.075 0.000 0.821 893 E CB 0.171 29.892 29.700 0.036 0.000 0.777 893 E HN 0.512 nan 8.360 nan 0.000 0.460 894 R N -0.574 120.021 120.500 0.158 0.000 2.854 894 R HA 0.591 4.931 4.340 -0.000 0.000 0.271 894 R C -1.098 175.396 176.300 0.324 0.000 0.996 894 R CA -0.929 55.294 56.100 0.204 0.000 0.961 894 R CB 2.331 32.715 30.300 0.141 0.000 1.182 894 R HN -0.179 nan 8.270 nan 0.000 0.479 895 V N 1.889 122.001 119.914 0.330 0.000 2.531 895 V HA 0.359 4.479 4.120 -0.000 0.000 0.301 895 V C -0.433 175.937 176.094 0.460 0.000 1.034 895 V CA -0.909 61.624 62.300 0.389 0.000 0.865 895 V CB 1.817 33.822 31.823 0.303 0.000 0.995 895 V HN 0.697 nan 8.190 nan 0.000 0.424 896 N N 4.134 123.091 118.700 0.428 0.000 2.295 896 N HA 0.555 5.295 4.740 -0.000 0.000 0.293 896 N C -1.501 174.281 175.510 0.453 0.000 1.040 896 N CA -0.422 52.846 53.050 0.364 0.000 0.840 896 N CB 2.947 41.541 38.487 0.178 0.000 1.468 896 N HN 0.826 nan 8.380 nan 0.000 0.478 897 W N 3.075 124.432 121.300 0.094 0.000 3.137 897 W HA 0.590 5.250 4.660 -0.000 0.000 0.324 897 W C -2.182 174.334 176.519 -0.006 0.000 1.253 897 W CA -1.080 56.305 57.345 0.067 0.000 1.183 897 W CB 0.703 30.242 29.460 0.131 0.000 1.424 897 W HN 0.261 nan 8.180 nan 0.000 0.566 898 L N 3.970 125.198 121.223 0.008 0.000 2.318 898 L HA 0.933 5.273 4.340 -0.000 0.000 0.277 898 L C -0.037 176.763 176.870 -0.117 0.000 1.008 898 L CA 0.367 55.038 54.840 -0.282 0.000 0.846 898 L CB 0.836 42.782 42.059 -0.188 0.000 1.220 898 L HN 1.046 nan 8.230 nan 0.000 0.423 899 G N 3.719 112.353 108.800 -0.277 0.000 2.356 899 G HA2 0.210 4.170 3.960 -0.000 0.000 0.281 899 G HA3 0.210 4.170 3.960 -0.000 0.000 0.281 899 G C -1.646 173.391 174.900 0.228 0.000 1.246 899 G CA -1.035 44.127 45.100 0.103 0.000 0.889 899 G HN 0.442 nan 8.290 nan 0.000 0.486 900 L N 1.034 122.476 121.223 0.364 0.000 2.380 900 L HA 0.622 4.962 4.340 -0.000 0.000 0.273 900 L C 1.055 178.027 176.870 0.171 0.000 1.138 900 L CA 0.675 55.666 54.840 0.252 0.000 0.832 900 L CB 0.728 42.863 42.059 0.127 0.000 1.124 900 L HN 1.152 nan 8.230 nan 0.000 0.454 901 G N 2.707 111.393 108.800 -0.189 0.000 2.427 901 G HA2 0.285 4.245 3.960 -0.000 0.000 0.306 901 G HA3 0.285 4.245 3.960 -0.000 0.000 0.306 901 G C -2.763 171.393 174.900 -1.240 0.000 1.280 901 G CA -0.280 44.355 45.100 -0.774 0.000 0.837 901 G HN 0.310 nan 8.290 nan 0.000 0.482 902 P HA 0.121 nan 4.420 nan 0.000 0.239 902 P C 0.513 177.596 177.300 -0.362 0.000 1.188 902 P CA 0.499 62.962 63.100 -1.060 0.000 0.794 902 P CB 0.570 31.792 31.700 -0.797 0.000 0.937 903 Q N 0.570 120.167 119.800 -0.338 0.000 2.318 903 Q HA 0.128 4.468 4.340 -0.000 0.000 0.222 903 Q C 0.377 176.257 176.000 -0.200 0.000 1.003 903 Q CA -0.532 55.149 55.803 -0.204 0.000 0.936 903 Q CB 0.664 29.311 28.738 -0.152 0.000 1.204 903 Q HN 0.121 nan 8.270 nan 0.000 0.524 904 E N 1.457 121.551 120.200 -0.176 0.000 2.558 904 E HA -0.123 4.227 4.350 -0.000 0.000 0.255 904 E C -1.176 175.343 176.600 -0.134 0.000 0.968 904 E CA 0.223 56.511 56.400 -0.186 0.000 0.939 904 E CB 0.186 29.844 29.700 -0.070 0.000 0.921 904 E HN 0.533 nan 8.360 nan 0.000 0.477 905 N N 3.050 121.594 118.700 -0.260 0.000 2.264 905 N HA 0.335 5.075 4.740 -0.000 0.000 0.288 905 N C -1.805 173.479 175.510 -0.378 0.000 1.094 905 N CA -0.680 52.267 53.050 -0.172 0.000 0.817 905 N CB 0.804 39.208 38.487 -0.138 0.000 1.604 905 N HN 0.240 nan 8.380 nan 0.000 0.473 906 Y N 0.050 120.250 120.300 -0.167 0.000 2.630 906 Y HA 0.497 5.047 4.550 -0.000 0.000 0.337 906 Y C -1.597 174.218 175.900 -0.142 0.000 1.051 906 Y CA -2.103 55.882 58.100 -0.192 0.000 1.121 906 Y CB 1.790 40.130 38.460 -0.199 0.000 1.299 906 Y HN 0.447 nan 8.280 nan 0.000 0.498 907 P HA -0.156 nan 4.420 nan 0.000 0.216 907 P C 0.268 177.459 177.300 -0.182 0.000 1.150 907 P CA 2.006 65.115 63.100 0.016 0.000 0.843 907 P CB 0.208 32.003 31.700 0.158 0.000 0.787 908 D N -2.267 117.848 120.400 -0.475 0.000 2.368 908 D HA 0.035 4.675 4.640 -0.000 0.000 0.218 908 D C 0.613 176.780 176.300 -0.221 0.000 1.112 908 D CA -0.026 53.535 54.000 -0.733 0.000 0.834 908 D CB -0.180 39.879 40.800 -1.236 0.000 0.953 908 D HN 0.112 nan 8.370 nan 0.000 0.505 909 R N 1.057 121.512 120.500 -0.076 0.000 2.684 909 R HA 0.200 4.540 4.340 -0.000 0.000 0.252 909 R C -0.642 175.685 176.300 0.046 0.000 1.628 909 R CA -0.159 55.953 56.100 0.021 0.000 1.622 909 R CB 0.090 30.405 30.300 0.025 0.000 1.418 909 R HN 0.101 nan 8.270 nan 0.000 0.697 910 L N -1.749 119.511 121.223 0.062 0.000 3.520 910 L HA 0.326 4.666 4.340 -0.000 0.000 0.323 910 L C 1.279 178.207 176.870 0.098 0.000 1.246 910 L CA 0.084 54.959 54.840 0.059 0.000 1.085 910 L CB 0.190 42.266 42.059 0.029 0.000 1.477 910 L HN 0.093 nan 8.230 nan 0.000 0.624 911 T N -2.594 112.045 114.554 0.141 0.000 2.915 911 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 911 T C 1.737 176.528 174.700 0.152 0.000 1.071 911 T CA 1.296 63.505 62.100 0.182 0.000 1.132 911 T CB -0.276 68.737 68.868 0.241 0.000 0.878 911 T HN 0.400 nan 8.240 nan 0.000 0.479 912 A N 1.392 124.305 122.820 0.155 0.000 2.119 912 A HA 0.662 4.982 4.320 -0.000 0.000 0.216 912 A C 1.686 179.376 177.584 0.176 0.000 1.152 912 A CA 0.543 52.638 52.037 0.096 0.000 0.708 912 A CB -0.900 18.252 19.000 0.253 0.000 0.805 912 A HN 0.824 nan 8.150 nan 0.000 0.460 916 D N 2.940 122.737 120.400 -1.004 0.000 3.145 916 D HA 0.345 4.985 4.640 -0.000 0.000 0.345 916 D C -1.490 173.905 176.300 -1.508 0.000 1.391 916 D CA -0.670 52.583 54.000 -1.246 0.000 0.930 916 D CB 2.250 42.266 40.800 -1.307 0.000 1.451 916 D HN 0.635 nan 8.370 nan 0.000 0.555 917 R N 0.547 120.206 120.500 -1.402 0.000 2.229 917 R HA 0.474 4.814 4.340 -0.000 0.000 0.332 917 R C -1.261 174.232 176.300 -1.345 0.000 0.989 917 R CA -0.451 54.966 56.100 -1.138 0.000 0.842 917 R CB 0.484 30.390 30.300 -0.657 0.000 1.119 917 R HN 0.241 nan 8.270 nan 0.000 0.456 918 W N 2.584 123.335 121.300 -0.915 0.000 2.639 918 W HA 0.417 5.077 4.660 -0.000 0.000 0.347 918 W C -0.407 175.714 176.519 -0.663 0.000 1.067 918 W CA -0.663 56.098 57.345 -0.973 0.000 1.218 918 W CB 1.500 29.914 29.460 -1.743 0.000 1.393 918 W HN 0.314 nan 8.180 nan 0.000 0.557 919 D N 2.672 123.015 120.400 -0.096 0.000 2.602 919 D HA 0.468 5.108 4.640 -0.000 0.000 0.245 919 D C -1.287 175.109 176.300 0.159 0.000 1.325 919 D CA -0.109 53.934 54.000 0.072 0.000 0.952 919 D CB 1.093 41.905 40.800 0.019 0.000 1.317 919 D HN 0.365 nan 8.370 nan 0.000 0.577 920 L N 2.561 123.952 121.223 0.280 0.000 2.341 920 L HA 0.567 4.907 4.340 -0.000 0.000 0.254 920 L C -2.516 174.480 176.870 0.209 0.000 1.040 920 L CA -2.202 52.778 54.840 0.233 0.000 0.837 920 L CB 2.577 44.808 42.059 0.286 0.000 1.425 920 L HN 0.136 nan 8.230 nan 0.000 0.414 921 P HA 0.145 nan 4.420 nan 0.000 0.282 921 P C 0.456 177.839 177.300 0.139 0.000 1.249 921 P CA -0.465 62.714 63.100 0.132 0.000 0.806 921 P CB 1.096 32.853 31.700 0.094 0.000 0.984 922 L N 3.467 124.777 121.223 0.144 0.000 2.089 922 L HA -0.280 4.060 4.340 -0.000 0.000 0.213 922 L C 2.094 179.021 176.870 0.096 0.000 1.079 922 L CA 2.675 57.591 54.840 0.127 0.000 0.758 922 L CB -1.416 40.733 42.059 0.151 0.000 0.891 922 L HN 0.409 nan 8.230 nan 0.000 0.433 923 S N -1.708 114.049 115.700 0.095 0.000 2.400 923 S HA -0.188 4.282 4.470 -0.000 0.000 0.232 923 S C 1.598 176.269 174.600 0.118 0.000 1.025 923 S CA 1.223 59.487 58.200 0.107 0.000 0.993 923 S CB -0.784 62.468 63.200 0.087 0.000 0.808 923 S HN 0.523 nan 8.310 nan 0.000 0.478 924 D N 1.242 121.694 120.400 0.086 0.000 2.348 924 D HA 0.094 4.734 4.640 -0.000 0.000 0.216 924 D C 1.198 177.512 176.300 0.023 0.000 0.970 924 D CA 0.605 54.637 54.000 0.053 0.000 0.889 924 D CB -0.163 40.673 40.800 0.060 0.000 0.912 924 D HN 0.411 nan 8.370 nan 0.000 0.524 925 M N -0.291 119.332 119.600 0.039 0.000 2.505 925 M HA 0.086 4.566 4.480 -0.000 0.000 0.230 925 M C -0.162 176.157 176.300 0.033 0.000 1.153 925 M CA -0.054 55.227 55.300 -0.031 0.000 0.997 925 M CB -0.804 31.764 32.600 -0.052 0.000 1.606 925 M HN -0.045 nan 8.290 nan 0.000 0.481 926 Y N -0.040 120.223 120.300 -0.062 0.000 2.376 926 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 926 Y C -0.861 174.974 175.900 -0.108 0.000 0.965 926 Y CA -0.690 57.383 58.100 -0.046 0.000 1.078 926 Y CB 1.462 39.956 38.460 0.057 0.000 1.193 926 Y HN -0.097 nan 8.280 nan 0.000 0.452 927 T N 8.877 122.923 114.554 -0.848 0.000 2.788 927 T HA 0.279 4.629 4.350 -0.000 0.000 0.296 927 T C -2.706 171.198 174.700 -1.327 0.000 1.009 927 T CA -1.515 60.008 62.100 -0.961 0.000 0.949 927 T CB 1.057 69.461 68.868 -0.773 0.000 0.946 927 T HN 0.449 nan 8.240 nan 0.000 0.453 928 P HA 0.111 nan 4.420 nan 0.000 0.225 928 P C -0.661 176.456 177.300 -0.305 0.000 1.768 928 P CA -0.382 62.288 63.100 -0.717 0.000 0.943 928 P CB -0.771 30.658 31.700 -0.453 0.000 1.936 929 Y N -0.321 119.882 120.300 -0.162 0.000 2.526 929 Y HA -0.077 4.473 4.550 -0.000 0.000 0.330 929 Y C 2.263 178.193 175.900 0.050 0.000 1.156 929 Y CA -0.510 57.569 58.100 -0.035 0.000 1.419 929 Y CB 0.603 38.984 38.460 -0.131 0.000 1.250 929 Y HN -0.108 nan 8.280 nan 0.000 0.540 930 V N 3.752 123.869 119.914 0.338 0.000 2.317 930 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 930 V C 0.563 176.816 176.094 0.265 0.000 1.065 930 V CA 1.599 64.079 62.300 0.301 0.000 1.049 930 V CB -0.574 31.468 31.823 0.366 0.000 0.651 930 V HN 0.603 nan 8.190 nan 0.000 0.450 931 F N 3.237 123.220 119.950 0.056 0.000 2.361 931 F HA 0.525 5.052 4.527 -0.000 0.000 0.364 931 F C -2.418 173.373 175.800 -0.015 0.000 1.120 931 F CA -3.283 54.695 58.000 -0.037 0.000 1.102 931 F CB 0.923 39.789 39.000 -0.224 0.000 1.183 931 F HN -0.013 nan 8.300 nan 0.000 0.476 932 P HA 0.312 nan 4.420 nan 0.000 0.275 932 P C -1.117 175.895 177.300 -0.481 0.000 1.228 932 P CA -0.089 62.767 63.100 -0.405 0.000 0.786 932 P CB 1.485 32.988 31.700 -0.328 0.000 0.927 933 S N -0.402 115.195 115.700 -0.172 0.000 2.703 933 S HA 0.419 4.889 4.470 -0.000 0.000 0.273 933 S C -0.828 173.760 174.600 -0.019 0.000 1.178 933 S CA -0.934 57.208 58.200 -0.097 0.000 0.838 933 S CB 0.301 63.471 63.200 -0.049 0.000 1.178 933 S HN 0.343 nan 8.310 nan 0.000 0.494 934 E N 1.285 121.484 120.200 -0.001 0.000 2.529 934 E HA 0.352 4.702 4.350 -0.000 0.000 0.259 934 E C -0.152 176.491 176.600 0.072 0.000 0.966 934 E CA 0.937 57.361 56.400 0.040 0.000 0.937 934 E CB -0.402 29.345 29.700 0.078 0.000 0.923 934 E HN 0.780 nan 8.360 nan 0.000 0.468 935 N N 1.601 120.375 118.700 0.124 0.000 3.116 935 N HA 0.534 5.274 4.740 -0.000 0.000 0.244 935 N C 0.297 175.858 175.510 0.086 0.000 1.485 935 N CA -0.618 52.541 53.050 0.181 0.000 0.884 935 N CB 0.795 39.371 38.487 0.148 0.000 1.415 935 N HN 0.645 nan 8.380 nan 0.000 0.524 936 G N -1.437 107.378 108.800 0.025 0.000 2.179 936 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 936 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 936 G C -0.169 174.492 174.900 -0.400 0.000 0.977 936 G CA 0.397 45.399 45.100 -0.163 0.000 0.641 936 G HN 0.683 nan 8.290 nan 0.000 0.533 937 L N 1.297 122.213 121.223 -0.512 0.000 2.499 937 L HA 0.489 4.829 4.340 -0.000 0.000 0.281 937 L C 0.888 177.196 176.870 -0.935 0.000 1.234 937 L CA 0.495 54.795 54.840 -0.900 0.000 0.839 937 L CB 0.367 41.576 42.059 -1.418 0.000 1.104 937 L HN 0.355 nan 8.230 nan 0.000 0.500 938 R N 3.600 123.463 120.500 -1.061 0.000 2.575 938 R HA 0.478 4.818 4.340 -0.000 0.000 0.293 938 R C -1.192 174.743 176.300 -0.608 0.000 0.983 938 R CA -0.726 54.866 56.100 -0.847 0.000 0.887 938 R CB 0.876 30.642 30.300 -0.891 0.000 1.184 938 R HN 0.550 nan 8.270 nan 0.000 0.445 939 C N -0.008 119.082 119.300 -0.349 0.000 2.354 939 C HA 0.643 5.103 4.460 -0.000 0.000 0.381 939 C C 1.353 176.315 174.990 -0.046 0.000 1.240 939 C CA 0.358 59.257 59.018 -0.199 0.000 2.089 939 C CB 1.145 28.791 27.740 -0.157 0.000 2.234 939 C HN 1.074 nan 8.230 nan 0.000 0.544 940 G N 2.170 110.954 108.800 -0.027 0.000 2.395 940 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.300 940 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.300 940 G C -0.084 174.869 174.900 0.089 0.000 0.998 940 G CA 0.545 45.676 45.100 0.051 0.000 1.046 940 G HN 0.798 nan 8.290 nan 0.000 0.513 941 T N -0.339 114.139 114.554 -0.127 0.000 2.799 941 T HA 0.494 4.844 4.350 -0.000 0.000 0.286 941 T C 1.541 175.963 174.700 -0.463 0.000 0.973 941 T CA -0.526 61.464 62.100 -0.185 0.000 1.035 941 T CB 1.350 70.103 68.868 -0.191 0.000 0.932 941 T HN 0.385 nan 8.240 nan 0.000 0.469 942 R N 1.334 121.775 120.500 -0.098 0.000 2.279 942 R HA 0.261 4.601 4.340 -0.000 0.000 0.195 942 R C 0.527 176.876 176.300 0.082 0.000 0.905 942 R CA 0.170 56.260 56.100 -0.016 0.000 1.044 942 R CB 0.842 31.247 30.300 0.175 0.000 1.056 942 R HN 0.610 nan 8.270 nan 0.000 0.535 943 E N 0.952 121.222 120.200 0.115 0.000 2.321 943 E HA 0.272 4.622 4.350 -0.000 0.000 0.281 943 E C -2.043 174.709 176.600 0.253 0.000 0.910 943 E CA -0.616 55.919 56.400 0.225 0.000 0.770 943 E CB 1.825 31.624 29.700 0.165 0.000 1.225 943 E HN -0.098 nan 8.360 nan 0.000 0.417 944 L N 4.129 125.551 121.223 0.332 0.000 2.410 944 L HA 0.600 4.940 4.340 -0.000 0.000 0.270 944 L C -1.866 175.227 176.870 0.373 0.000 0.983 944 L CA -0.377 54.613 54.840 0.249 0.000 0.822 944 L CB 1.796 43.841 42.059 -0.022 0.000 1.285 944 L HN 0.465 nan 8.230 nan 0.000 0.409 945 N N 4.487 123.373 118.700 0.310 0.000 2.346 945 N HA 0.406 5.146 4.740 -0.000 0.000 0.289 945 N C -2.033 173.721 175.510 0.407 0.000 1.027 945 N CA -0.282 52.956 53.050 0.314 0.000 0.864 945 N CB 2.291 40.897 38.487 0.198 0.000 1.370 945 N HN 0.614 nan 8.380 nan 0.000 0.481 946 Y N 1.292 121.752 120.300 0.267 0.000 2.323 946 Y HA 0.419 4.969 4.550 -0.000 0.000 0.322 946 Y C 0.471 176.485 175.900 0.190 0.000 1.133 946 Y CA 0.201 58.440 58.100 0.232 0.000 1.093 946 Y CB 0.568 39.206 38.460 0.297 0.000 1.203 946 Y HN 0.868 nan 8.280 nan 0.000 0.427 947 G N 6.399 115.082 108.800 -0.196 0.000 2.528 947 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.262 947 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.262 947 G C -1.907 172.905 174.900 -0.147 0.000 1.200 947 G CA -0.062 44.892 45.100 -0.245 0.000 0.951 947 G HN 0.552 nan 8.290 nan 0.000 0.566 948 P HA 0.130 nan 4.420 nan 0.000 0.236 948 P C 0.515 177.587 177.300 -0.381 0.000 1.177 948 P CA 0.966 63.875 63.100 -0.319 0.000 0.773 948 P CB -0.051 31.379 31.700 -0.449 0.000 0.878 949 H N -0.221 118.796 119.070 -0.089 0.000 2.505 949 H HA 0.470 5.026 4.556 -0.000 0.000 0.351 949 H C 0.420 175.515 175.328 -0.389 0.000 1.151 949 H CA -0.169 55.705 56.048 -0.291 0.000 1.339 949 H CB 0.825 30.248 29.762 -0.564 0.000 1.483 949 H HN -0.048 nan 8.280 nan 0.000 0.558 950 Q N 2.720 122.272 119.800 -0.413 0.000 2.284 950 Q HA 0.221 4.561 4.340 -0.000 0.000 0.269 950 Q C -1.901 173.882 176.000 -0.360 0.000 1.026 950 Q CA -0.770 54.893 55.803 -0.233 0.000 0.831 950 Q CB 1.779 30.511 28.738 -0.010 0.000 1.322 950 Q HN 0.633 nan 8.270 nan 0.000 0.419 951 W N 3.546 124.850 121.300 0.007 0.000 2.819 951 W HA 0.597 5.257 4.660 -0.000 0.000 0.337 951 W C -0.453 176.161 176.519 0.158 0.000 1.077 951 W CA -0.792 56.534 57.345 -0.031 0.000 1.226 951 W CB 2.236 31.512 29.460 -0.307 0.000 1.419 951 W HN 0.614 nan 8.180 nan 0.000 0.502 952 R N 0.742 121.497 120.500 0.425 0.000 2.744 952 R HA 0.862 5.202 4.340 -0.000 0.000 0.279 952 R C 0.131 176.707 176.300 0.460 0.000 0.977 952 R CA -0.587 55.770 56.100 0.427 0.000 0.906 952 R CB 2.363 32.829 30.300 0.277 0.000 1.197 952 R HN 0.705 nan 8.270 nan 0.000 0.463 953 G N 0.499 109.584 108.800 0.475 0.000 2.513 953 G HA2 0.105 4.065 3.960 -0.000 0.000 0.182 953 G HA3 0.105 4.065 3.960 -0.000 0.000 0.182 953 G C -1.773 173.278 174.900 0.251 0.000 1.190 953 G CA -0.531 44.815 45.100 0.410 0.000 0.987 953 G HN 0.513 nan 8.290 nan 0.000 0.479 954 D N 0.116 120.671 120.400 0.259 0.000 2.330 954 D HA 0.649 5.289 4.640 -0.000 0.000 0.249 954 D C -0.551 175.762 176.300 0.021 0.000 1.306 954 D CA -0.424 53.593 54.000 0.029 0.000 0.956 954 D CB 0.364 41.203 40.800 0.065 0.000 1.261 954 D HN 0.579 nan 8.370 nan 0.000 0.544 955 F N -0.053 119.893 119.950 -0.007 0.000 3.016 955 F HA 0.657 5.184 4.527 -0.000 0.000 0.324 955 F C -1.386 174.373 175.800 -0.068 0.000 1.196 955 F CA -1.097 56.834 58.000 -0.115 0.000 0.929 955 F CB 0.670 39.587 39.000 -0.138 0.000 1.440 955 F HN -0.096 nan 8.300 nan 0.000 0.505 956 Q N 1.435 121.323 119.800 0.147 0.000 2.387 956 Q HA 0.677 5.017 4.340 -0.000 0.000 0.273 956 Q C -1.316 174.780 176.000 0.160 0.000 1.089 956 Q CA -0.514 55.294 55.803 0.009 0.000 0.824 956 Q CB 2.805 31.422 28.738 -0.202 0.000 1.367 956 Q HN 0.880 nan 8.270 nan 0.000 0.443 957 F N -1.177 118.662 119.950 -0.186 0.000 2.711 957 F HA 0.778 5.305 4.527 -0.000 0.000 0.313 957 F C -1.606 173.986 175.800 -0.348 0.000 1.141 957 F CA -1.083 56.766 58.000 -0.251 0.000 0.941 957 F CB 1.619 40.484 39.000 -0.225 0.000 1.349 957 F HN 0.576 nan 8.300 nan 0.000 0.464 958 N N 1.087 119.660 118.700 -0.212 0.000 2.329 958 N HA 0.692 5.432 4.740 -0.000 0.000 0.282 958 N C -2.189 173.296 175.510 -0.043 0.000 1.198 958 N CA -0.685 52.210 53.050 -0.258 0.000 0.790 958 N CB 2.505 40.832 38.487 -0.267 0.000 1.579 958 N HN 1.131 nan 8.380 nan 0.000 0.475 959 I N 0.624 121.155 120.570 -0.065 0.000 2.610 959 I HA 0.678 4.848 4.170 -0.000 0.000 0.289 959 I C -1.254 174.817 176.117 -0.076 0.000 1.163 959 I CA 0.072 61.312 61.300 -0.099 0.000 1.044 959 I CB 1.333 39.216 38.000 -0.196 0.000 1.251 959 I HN 1.068 nan 8.210 nan 0.000 0.424 960 S N 6.368 122.037 115.700 -0.052 0.000 2.714 960 S HA 0.519 4.989 4.470 -0.000 0.000 0.280 960 S C -0.350 174.183 174.600 -0.111 0.000 1.200 960 S CA -0.952 57.211 58.200 -0.061 0.000 0.900 960 S CB 1.532 64.761 63.200 0.048 0.000 1.235 960 S HN 0.621 nan 8.310 nan 0.000 0.512 961 R N -0.113 120.145 120.500 -0.403 0.000 2.427 961 R HA 0.287 4.627 4.340 -0.000 0.000 0.262 961 R C -0.979 174.970 176.300 -0.586 0.000 0.943 961 R CA 0.195 56.008 56.100 -0.479 0.000 1.081 961 R CB -0.542 29.346 30.300 -0.687 0.000 1.166 961 R HN 0.634 nan 8.270 nan 0.000 0.534 962 Y N 0.343 120.611 120.300 -0.054 0.000 2.409 962 Y HA 0.250 4.800 4.550 -0.000 0.000 0.343 962 Y C 0.783 176.429 175.900 -0.424 0.000 0.973 962 Y CA -1.171 56.803 58.100 -0.209 0.000 1.064 962 Y CB 1.478 39.771 38.460 -0.279 0.000 1.207 962 Y HN -0.098 nan 8.280 nan 0.000 0.452 963 S N 1.555 116.904 115.700 -0.584 0.000 2.603 963 S HA 0.077 4.547 4.470 -0.000 0.000 0.268 963 S C 0.865 175.130 174.600 -0.558 0.000 1.317 963 S CA -0.691 56.819 58.200 -1.150 0.000 1.012 963 S CB 1.171 63.644 63.200 -1.212 0.000 0.926 963 S HN 0.751 nan 8.310 nan 0.000 0.539 964 Q N 0.609 120.089 119.800 -0.534 0.000 2.135 964 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 964 Q C 2.175 178.042 176.000 -0.222 0.000 0.981 964 Q CA 1.777 57.410 55.803 -0.283 0.000 0.856 964 Q CB -0.500 28.109 28.738 -0.215 0.000 0.902 964 Q HN 0.938 nan 8.270 nan 0.000 0.425 965 Q N 0.653 120.295 119.800 -0.264 0.000 2.079 965 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 965 Q C 2.045 177.948 176.000 -0.162 0.000 0.974 965 Q CA 1.323 57.024 55.803 -0.170 0.000 0.840 965 Q CB 0.026 28.685 28.738 -0.132 0.000 0.898 965 Q HN 0.429 nan 8.270 nan 0.000 0.430 966 Q N 0.127 119.808 119.800 -0.200 0.000 2.050 966 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 966 Q C 2.373 178.258 176.000 -0.192 0.000 0.980 966 Q CA 1.306 57.001 55.803 -0.179 0.000 0.840 966 Q CB -0.093 28.521 28.738 -0.207 0.000 0.898 966 Q HN 0.464 nan 8.270 nan 0.000 0.424 967 L N 0.176 121.279 121.223 -0.200 0.000 2.043 967 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 967 L C 2.693 179.433 176.870 -0.217 0.000 1.075 967 L CA 1.398 56.110 54.840 -0.213 0.000 0.752 967 L CB -0.386 41.577 42.059 -0.159 0.000 0.891 967 L HN 0.417 nan 8.230 nan 0.000 0.432 968 M N -0.643 118.857 119.600 -0.167 0.000 2.394 968 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 968 M C 1.584 177.804 176.300 -0.133 0.000 1.073 968 M CA 1.546 56.760 55.300 -0.144 0.000 1.111 968 M CB 0.133 32.664 32.600 -0.113 0.000 1.401 968 M HN 0.192 nan 8.290 nan 0.000 0.448 969 E N -0.728 119.395 120.200 -0.128 0.000 2.452 969 E HA 0.066 4.416 4.350 -0.000 0.000 0.197 969 E C -0.250 176.299 176.600 -0.085 0.000 1.022 969 E CA 0.154 56.502 56.400 -0.088 0.000 0.890 969 E CB 0.562 30.223 29.700 -0.065 0.000 0.918 969 E HN 0.317 nan 8.360 nan 0.000 0.496 970 T N 0.829 115.301 114.554 -0.137 0.000 2.744 970 T HA 0.072 4.422 4.350 -0.000 0.000 0.291 970 T C 1.128 175.728 174.700 -0.167 0.000 0.957 970 T CA -0.313 61.706 62.100 -0.136 0.000 1.002 970 T CB 1.531 70.287 68.868 -0.186 0.000 0.919 970 T HN 0.043 nan 8.240 nan 0.000 0.468 971 S N 2.182 117.870 115.700 -0.020 0.000 2.496 971 S HA 0.038 4.508 4.470 -0.000 0.000 0.224 971 S C 0.321 174.980 174.600 0.097 0.000 0.996 971 S CA 0.350 58.609 58.200 0.098 0.000 0.927 971 S CB -0.213 63.188 63.200 0.335 0.000 0.774 971 S HN 0.746 nan 8.310 nan 0.000 0.524 972 H N 0.239 119.294 119.070 -0.026 0.000 2.851 972 H HA 0.515 5.071 4.556 -0.000 0.000 0.372 972 H C 0.944 176.236 175.328 -0.060 0.000 1.158 972 H CA -0.762 55.334 56.048 0.080 0.000 1.159 972 H CB 1.520 31.348 29.762 0.111 0.000 1.757 972 H HN 0.104 nan 8.280 nan 0.000 0.546 973 R N 1.349 121.958 120.500 0.181 0.000 2.105 973 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 973 R C 1.391 177.691 176.300 -0.001 0.000 1.135 973 R CA 1.938 58.072 56.100 0.056 0.000 0.967 973 R CB -0.570 29.789 30.300 0.099 0.000 0.861 973 R HN 0.772 nan 8.270 nan 0.000 0.442 974 H N 1.583 120.655 119.070 0.003 0.000 2.489 974 H HA -0.023 4.533 4.556 -0.000 0.000 0.293 974 H C 1.540 176.787 175.328 -0.135 0.000 1.066 974 H CA 1.044 57.047 56.048 -0.075 0.000 1.305 974 H CB -0.245 29.458 29.762 -0.097 0.000 1.386 974 H HN 0.322 nan 8.280 nan 0.000 0.551 975 L N 0.900 121.691 121.223 -0.721 0.000 2.591 975 L HA 0.196 4.536 4.340 -0.000 0.000 0.228 975 L C 0.583 177.319 176.870 -0.223 0.000 1.133 975 L CA -0.103 54.447 54.840 -0.483 0.000 0.880 975 L CB -0.034 41.741 42.059 -0.474 0.000 1.033 975 L HN 0.048 nan 8.230 nan 0.000 0.450 976 L N 0.744 121.837 121.223 -0.217 0.000 2.395 976 L HA 0.217 4.557 4.340 -0.000 0.000 0.269 976 L C 0.269 177.131 176.870 -0.013 0.000 1.133 976 L CA -0.297 54.415 54.840 -0.213 0.000 0.812 976 L CB 0.607 42.355 42.059 -0.519 0.000 1.125 976 L HN 0.170 nan 8.230 nan 0.000 0.452 977 H N 1.687 120.802 119.070 0.075 0.000 2.529 977 H HA 0.610 5.166 4.556 -0.000 0.000 0.348 977 H C -0.762 174.665 175.328 0.164 0.000 1.079 977 H CA -1.193 54.916 56.048 0.103 0.000 1.198 977 H CB 1.400 31.176 29.762 0.023 0.000 1.521 977 H HN 0.698 nan 8.280 nan 0.000 0.514 978 A N 4.048 126.950 122.820 0.137 0.000 2.540 978 A HA 0.083 4.403 4.320 -0.000 0.000 0.239 978 A C 0.356 177.960 177.584 0.033 0.000 1.061 978 A CA -0.187 51.768 52.037 -0.137 0.000 0.758 978 A CB 0.012 18.916 19.000 -0.160 0.000 0.991 978 A HN 0.871 nan 8.150 nan 0.000 0.502 979 E N 1.108 121.284 120.200 -0.040 0.000 2.359 979 E HA 0.118 4.468 4.350 -0.000 0.000 0.255 979 E C 0.639 177.259 176.600 0.033 0.000 1.191 979 E CA -0.697 55.768 56.400 0.108 0.000 0.952 979 E CB 0.672 30.523 29.700 0.252 0.000 1.152 979 E HN 0.822 nan 8.360 nan 0.000 0.496 980 E N 0.231 120.450 120.200 0.032 0.000 2.065 980 E HA -0.211 4.139 4.350 -0.000 0.000 0.201 980 E C 0.923 177.474 176.600 -0.081 0.000 1.016 980 E CA 1.730 58.111 56.400 -0.031 0.000 0.818 980 E CB 0.014 29.695 29.700 -0.031 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.361 107.346 108.800 -0.156 0.000 3.392 981 G HA2 0.250 4.210 3.960 -0.000 0.000 0.185 981 G HA3 0.250 4.210 3.960 -0.000 0.000 0.185 981 G C -0.684 174.135 174.900 -0.136 0.000 1.206 981 G CA -0.158 44.861 45.100 -0.135 0.000 0.776 981 G HN 0.098 nan 8.290 nan 0.000 0.697 982 T N 0.451 114.922 114.554 -0.139 0.000 2.807 982 T HA 0.411 4.761 4.350 -0.000 0.000 0.279 982 T C -1.557 173.007 174.700 -0.227 0.000 0.993 982 T CA -0.073 61.967 62.100 -0.100 0.000 0.970 982 T CB 1.611 70.509 68.868 0.049 0.000 0.950 982 T HN 0.309 nan 8.240 nan 0.000 0.441 983 W N 3.068 124.282 121.300 -0.144 0.000 2.361 983 W HA 0.631 5.291 4.660 -0.000 0.000 0.309 983 W C -0.435 175.967 176.519 -0.196 0.000 1.122 983 W CA -0.704 56.553 57.345 -0.146 0.000 1.208 983 W CB 0.918 30.299 29.460 -0.132 0.000 1.246 983 W HN 0.366 nan 8.180 nan 0.000 0.490 984 L N 5.425 126.682 121.223 0.058 0.000 2.362 984 L HA 0.525 4.865 4.340 -0.000 0.000 0.275 984 L C -0.999 175.794 176.870 -0.127 0.000 0.998 984 L CA -0.447 54.305 54.840 -0.146 0.000 0.820 984 L CB 1.090 42.928 42.059 -0.368 0.000 1.270 984 L HN 0.323 nan 8.230 nan 0.000 0.415 985 N N 6.942 125.549 118.700 -0.156 0.000 2.442 985 N HA 0.452 5.192 4.740 -0.000 0.000 0.274 985 N C -1.273 174.107 175.510 -0.216 0.000 1.002 985 N CA -0.343 52.605 53.050 -0.169 0.000 0.910 985 N CB 2.246 40.657 38.487 -0.127 0.000 1.244 985 N HN 0.487 nan 8.380 nan 0.000 0.492 986 I N 1.837 122.223 120.570 -0.306 0.000 2.354 986 I HA 0.266 4.436 4.170 -0.000 0.000 0.286 986 I C -0.459 175.468 176.117 -0.316 0.000 1.007 986 I CA -0.451 60.625 61.300 -0.373 0.000 1.167 986 I CB 1.396 39.033 38.000 -0.606 0.000 1.320 986 I HN 0.170 nan 8.210 nan 0.000 0.458 987 D N 4.547 124.803 120.400 -0.241 0.000 2.217 987 D HA 0.316 4.956 4.640 -0.000 0.000 0.243 987 D C 1.069 177.087 176.300 -0.471 0.000 1.054 987 D CA -0.221 53.583 54.000 -0.327 0.000 0.838 987 D CB 2.592 43.293 40.800 -0.164 0.000 1.162 987 D HN 0.693 nan 8.370 nan 0.000 0.472 988 G N 1.217 109.464 108.800 -0.922 0.000 2.408 988 G HA2 0.018 3.978 3.960 -0.000 0.000 0.215 988 G HA3 0.018 3.978 3.960 -0.000 0.000 0.215 988 G C 0.063 174.156 174.900 -1.344 0.000 1.156 988 G CA 0.569 44.883 45.100 -1.310 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.535 989 F N -1.916 117.825 119.950 -0.348 0.000 2.654 989 F HA 0.545 5.072 4.527 -0.000 0.000 0.308 989 F C -0.666 175.027 175.800 -0.179 0.000 1.108 989 F CA -1.260 56.617 58.000 -0.205 0.000 0.957 989 F CB 1.903 40.725 39.000 -0.297 0.000 1.309 989 F HN -0.072 nan 8.300 nan 0.000 0.446 990 H N 2.409 121.486 119.070 0.012 0.000 2.865 990 H HA 0.420 4.976 4.556 -0.000 0.000 0.362 990 H C -1.140 174.206 175.328 0.030 0.000 1.114 990 H CA -0.719 55.308 56.048 -0.034 0.000 1.208 990 H CB 2.488 32.209 29.762 -0.068 0.000 1.727 990 H HN 0.837 nan 8.280 nan 0.000 0.534 991 M N 2.425 122.002 119.600 -0.040 0.000 2.245 991 M HA 0.264 4.744 4.480 -0.000 0.000 0.330 991 M C 0.584 177.001 176.300 0.195 0.000 1.098 991 M CA 0.281 55.613 55.300 0.054 0.000 1.172 991 M CB 0.381 32.914 32.600 -0.112 0.000 1.467 991 M HN 0.745 nan 8.290 nan 0.000 0.454 992 G N 2.371 111.252 108.800 0.134 0.000 2.683 992 G HA2 0.331 4.291 3.960 -0.000 0.000 0.260 992 G HA3 0.331 4.291 3.960 -0.000 0.000 0.260 992 G C 0.543 175.415 174.900 -0.047 0.000 1.238 992 G CA -0.330 44.772 45.100 0.004 0.000 0.934 992 G HN 0.962 nan 8.290 nan 0.000 0.534 993 I N -2.706 117.785 120.570 -0.132 0.000 3.939 993 I HA 0.453 4.623 4.170 -0.000 0.000 0.313 993 I C 1.149 177.190 176.117 -0.125 0.000 1.274 993 I CA 0.506 61.702 61.300 -0.174 0.000 1.301 993 I CB -0.324 37.484 38.000 -0.319 0.000 1.105 993 I HN 0.970 nan 8.210 nan 0.000 0.427 994 G N 1.616 110.362 108.800 -0.090 0.000 2.598 994 G HA2 0.056 4.016 3.960 -0.000 0.000 0.244 994 G HA3 0.056 4.016 3.960 -0.000 0.000 0.244 994 G C 0.574 175.465 174.900 -0.016 0.000 1.302 994 G CA 0.101 45.188 45.100 -0.022 0.000 0.903 994 G HN 1.413 nan 8.290 nan 0.000 0.575 995 G N -2.249 106.555 108.800 0.008 0.000 2.370 995 G HA2 0.024 3.984 3.960 -0.000 0.000 0.174 995 G HA3 0.024 3.984 3.960 -0.000 0.000 0.174 995 G C 0.605 175.548 174.900 0.072 0.000 1.002 995 G CA 0.935 46.047 45.100 0.021 0.000 0.730 995 G HN 0.990 nan 8.290 nan 0.000 0.497 996 D N 1.176 121.633 120.400 0.095 0.000 2.221 996 D HA 0.132 4.772 4.640 -0.000 0.000 0.204 996 D C 0.958 177.276 176.300 0.031 0.000 0.982 996 D CA 2.080 56.193 54.000 0.188 0.000 0.857 996 D CB 0.148 41.074 40.800 0.209 0.000 0.934 996 D HN 0.836 nan 8.370 nan 0.000 0.475 997 D N -3.526 116.694 120.400 -0.300 0.000 2.653 997 D HA 0.247 4.887 4.640 -0.000 0.000 0.258 997 D C -0.855 174.929 176.300 -0.860 0.000 1.252 997 D CA -0.735 52.668 54.000 -0.995 0.000 0.777 997 D CB 0.739 40.507 40.800 -1.721 0.000 1.339 997 D HN -0.292 nan 8.370 nan 0.000 0.422 998 S N -0.181 114.808 115.700 -1.185 0.000 2.588 998 S HA 0.259 4.729 4.470 -0.000 0.000 0.245 998 S C -0.504 174.161 174.600 0.109 0.000 1.021 998 S CA -0.642 57.403 58.200 -0.259 0.000 1.006 998 S CB -0.600 62.683 63.200 0.139 0.000 0.830 998 S HN 0.615 nan 8.310 nan 0.000 0.468 999 W N 0.923 122.168 121.300 -0.090 0.000 2.036 999 W HA 0.543 5.203 4.660 -0.000 0.000 0.298 999 W C -0.037 176.443 176.519 -0.066 0.000 0.885 999 W CA -0.564 56.739 57.345 -0.072 0.000 1.488 999 W CB -0.546 28.811 29.460 -0.172 0.000 1.079 999 W HN 0.171 nan 8.180 nan 0.000 0.506 1000 S N -1.009 114.607 115.700 -0.140 0.000 2.596 1000 S HA 0.659 5.129 4.470 -0.000 0.000 0.270 1000 S C -3.156 171.394 174.600 -0.082 0.000 1.155 1000 S CA -1.659 56.489 58.200 -0.087 0.000 0.827 1000 S CB 1.738 64.899 63.200 -0.066 0.000 1.130 1000 S HN -0.204 nan 8.310 nan 0.000 0.467 1001 P HA 0.248 nan 4.420 nan 0.000 0.266 1001 P C 0.229 177.578 177.300 0.082 0.000 1.215 1001 P CA -0.129 63.004 63.100 0.054 0.000 0.763 1001 P CB 0.688 32.334 31.700 -0.091 0.000 0.806 1002 S N 0.689 116.464 115.700 0.124 0.000 2.819 1002 S HA 0.163 4.633 4.470 -0.000 0.000 0.249 1002 S C 0.206 174.885 174.600 0.131 0.000 1.030 1002 S CA -0.362 57.886 58.200 0.080 0.000 1.052 1002 S CB -0.262 62.935 63.200 -0.004 0.000 1.017 1002 S HN 0.117 nan 8.310 nan 0.000 0.576 1003 V N 4.232 124.268 119.914 0.202 0.000 2.408 1003 V HA 0.414 4.534 4.120 -0.000 0.000 0.267 1003 V C 0.783 177.036 176.094 0.266 0.000 1.047 1003 V CA -0.476 61.941 62.300 0.195 0.000 0.937 1003 V CB 0.636 32.533 31.823 0.123 0.000 0.999 1003 V HN 0.650 nan 8.190 nan 0.000 0.472 1004 S N 4.440 120.324 115.700 0.308 0.000 2.573 1004 S HA 0.331 4.801 4.470 -0.000 0.000 0.277 1004 S C 1.495 176.241 174.600 0.243 0.000 1.346 1004 S CA -0.015 58.349 58.200 0.274 0.000 1.034 1004 S CB 1.301 64.629 63.200 0.212 0.000 0.879 1004 S HN 1.044 nan 8.310 nan 0.000 0.528 1005 A N 1.919 124.826 122.820 0.145 0.000 1.917 1005 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 1005 A C 1.907 179.491 177.584 0.001 0.000 1.182 1005 A CA 1.978 54.078 52.037 0.105 0.000 0.633 1005 A CB -1.227 17.816 19.000 0.072 0.000 0.819 1005 A HN 0.962 nan 8.150 nan 0.000 0.448 1006 E N -1.049 119.056 120.200 -0.158 0.000 2.396 1006 E HA -0.117 4.233 4.350 -0.000 0.000 0.200 1006 E C 0.717 176.994 176.600 -0.537 0.000 1.023 1006 E CA 1.050 57.214 56.400 -0.393 0.000 0.857 1006 E CB -0.366 28.887 29.700 -0.746 0.000 0.775 1006 E HN 0.794 nan 8.360 nan 0.000 0.525 1007 F N 0.549 120.546 119.950 0.078 0.000 2.654 1007 F HA 0.217 4.744 4.527 -0.000 0.000 0.303 1007 F C 0.547 176.381 175.800 0.057 0.000 1.099 1007 F CA -0.520 57.525 58.000 0.075 0.000 1.270 1007 F CB 0.435 39.479 39.000 0.073 0.000 1.024 1007 F HN -0.168 nan 8.300 nan 0.000 0.548 1008 Q N 1.326 121.238 119.800 0.186 0.000 2.230 1008 Q HA 0.415 4.755 4.340 -0.000 0.000 0.248 1008 Q C -0.228 175.797 176.000 0.043 0.000 0.915 1008 Q CA -0.568 55.321 55.803 0.144 0.000 0.900 1008 Q CB 2.050 30.956 28.738 0.281 0.000 1.229 1008 Q HN 0.259 nan 8.270 nan 0.000 0.439 1009 L N 2.421 123.648 121.223 0.007 0.000 2.399 1009 L HA 0.113 4.453 4.340 -0.000 0.000 0.257 1009 L C 0.669 177.455 176.870 -0.140 0.000 1.236 1009 L CA -0.065 54.754 54.840 -0.036 0.000 1.144 1009 L CB -0.302 41.649 42.059 -0.179 0.000 1.379 1009 L HN 0.696 nan 8.230 nan 0.000 0.414 1010 S N -0.982 114.571 115.700 -0.245 0.000 2.568 1010 S HA 0.159 4.629 4.470 -0.000 0.000 0.232 1010 S C 1.567 176.082 174.600 -0.141 0.000 0.975 1010 S CA 0.161 58.061 58.200 -0.500 0.000 0.949 1010 S CB 0.743 63.634 63.200 -0.515 0.000 0.829 1010 S HN 0.525 nan 8.310 nan 0.000 0.479 1011 A N 1.363 124.145 122.820 -0.065 0.000 2.119 1011 A HA 0.491 4.811 4.320 -0.000 0.000 0.217 1011 A C 2.069 179.502 177.584 -0.252 0.000 1.153 1011 A CA 1.070 52.950 52.037 -0.262 0.000 0.692 1011 A CB -1.177 17.474 19.000 -0.581 0.000 0.799 1011 A HN 1.478 nan 8.150 nan 0.000 0.458 1012 G N -1.424 107.313 108.800 -0.106 0.000 2.417 1012 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.233 1012 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.233 1012 G C 0.434 175.297 174.900 -0.062 0.000 1.103 1012 G CA 0.388 45.475 45.100 -0.021 0.000 0.647 1012 G HN 0.660 nan 8.290 nan 0.000 0.512 1013 R N -0.598 119.705 120.500 -0.328 0.000 2.574 1013 R HA 0.645 4.985 4.340 -0.000 0.000 0.288 1013 R C -1.642 174.335 176.300 -0.538 0.000 1.004 1013 R CA -0.582 55.382 56.100 -0.227 0.000 0.895 1013 R CB 1.593 31.825 30.300 -0.112 0.000 1.191 1013 R HN 0.231 nan 8.270 nan 0.000 0.444 1014 Y N 0.313 120.616 120.300 0.005 0.000 2.477 1014 Y HA 0.345 4.895 4.550 -0.000 0.000 0.347 1014 Y C -0.378 175.685 175.900 0.273 0.000 0.981 1014 Y CA -0.853 57.235 58.100 -0.020 0.000 1.033 1014 Y CB 2.260 40.581 38.460 -0.231 0.000 1.245 1014 Y HN 0.581 nan 8.280 nan 0.000 0.455 1015 H N 2.716 122.069 119.070 0.471 0.000 2.679 1015 H HA 0.610 5.166 4.556 -0.000 0.000 0.360 1015 H C -1.716 173.978 175.328 0.610 0.000 1.105 1015 H CA -0.923 55.374 56.048 0.416 0.000 1.196 1015 H CB 1.212 31.116 29.762 0.235 0.000 1.636 1015 H HN 0.585 nan 8.280 nan 0.000 0.531 1016 Y N 1.192 121.278 120.300 -0.357 0.000 2.638 1016 Y HA 0.582 5.132 4.550 -0.000 0.000 0.335 1016 Y C -1.911 173.794 175.900 -0.324 0.000 1.155 1016 Y CA -1.082 56.889 58.100 -0.215 0.000 1.046 1016 Y CB 1.435 39.854 38.460 -0.068 0.000 1.303 1016 Y HN 0.661 nan 8.280 nan 0.000 0.460 1017 Q N 2.320 122.086 119.800 -0.056 0.000 2.418 1017 Q HA 0.811 5.151 4.340 -0.000 0.000 0.282 1017 Q C -1.810 174.255 176.000 0.108 0.000 1.044 1017 Q CA -0.993 54.773 55.803 -0.061 0.000 0.813 1017 Q CB 3.581 32.336 28.738 0.028 0.000 1.428 1017 Q HN 0.743 nan 8.270 nan 0.000 0.402 1018 L N 0.188 121.463 121.223 0.087 0.000 2.479 1018 L HA 0.762 5.102 4.340 -0.000 0.000 0.255 1018 L C -1.192 175.787 176.870 0.181 0.000 1.026 1018 L CA -1.216 53.720 54.840 0.160 0.000 0.842 1018 L CB 2.495 44.631 42.059 0.128 0.000 1.444 1018 L HN 0.345 nan 8.230 nan 0.000 0.409 1019 V N 0.290 120.344 119.914 0.233 0.000 2.531 1019 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 1019 V C -1.106 175.173 176.094 0.309 0.000 1.034 1019 V CA -0.392 62.056 62.300 0.246 0.000 0.865 1019 V CB 2.038 33.979 31.823 0.197 0.000 0.995 1019 V HN 0.607 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.352 120.400 -0.080 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.253 56.287 -0.057 0.000 0.838 1023 K CB 0.000 32.473 32.500 -0.044 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543