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 1f49_1_B 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 -2.317 112.269 114.554 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 0.968 63.084 62.100 0.026 0.000 1.038 4 T CB -0.377 68.505 68.868 0.023 0.000 0.962 4 T HN 0.248 nan 8.240 nan 0.000 0.516 5 D N 2.370 122.860 120.400 0.149 0.000 2.340 5 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 5 D C 0.958 177.470 176.300 0.353 0.000 1.039 5 D CA 0.157 54.350 54.000 0.323 0.000 0.866 5 D CB 0.057 41.067 40.800 0.349 0.000 0.913 5 D HN 0.567 nan 8.370 nan 0.000 0.523 6 S N 0.066 115.859 115.700 0.154 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.336 175.988 174.600 0.088 0.000 1.315 6 S CA -0.680 57.569 58.200 0.082 0.000 1.050 6 S CB 1.272 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 3.576 124.828 121.223 0.048 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 2.504 57.378 54.840 0.057 0.000 0.758 7 L CB -1.542 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 -1.825 121.000 122.820 0.008 0.000 2.015 8 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 8 A C 2.393 179.971 177.584 -0.009 0.000 1.163 8 A CA 1.741 53.780 52.037 0.003 0.000 0.646 8 A CB -0.573 18.425 19.000 -0.004 0.000 0.806 8 A HN 0.233 nan 8.150 nan 0.000 0.448 9 V N -1.025 118.875 119.914 -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 -0.121 0.000 1.035 9 V CA 1.514 63.777 62.300 -0.061 0.000 1.033 9 V CB -0.377 31.414 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 2.250 10 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 10 V C 2.163 178.135 176.094 -0.203 0.000 1.060 10 V CA 2.243 64.328 62.300 -0.357 0.000 1.030 10 V CB -0.694 30.870 31.823 -0.432 0.000 0.643 10 V HN 0.482 nan 8.190 nan 0.000 0.445 11 L N 0.280 121.493 121.223 -0.016 0.000 2.622 11 L HA -0.104 4.236 4.340 -0.000 0.000 0.233 11 L C 2.337 179.279 176.870 0.121 0.000 1.156 11 L CA 0.797 55.760 54.840 0.205 0.000 0.866 11 L CB -0.709 41.517 42.059 0.278 0.000 0.980 11 L HN 0.443 nan 8.230 nan 0.000 0.448 12 Q N 0.713 120.510 119.800 -0.005 0.000 2.137 12 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 12 Q C 2.307 178.248 176.000 -0.098 0.000 0.960 12 Q CA 1.184 56.965 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 0.512 120.935 120.500 -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 1.137 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 0.783 121.031 120.500 -0.420 0.000 3.261 14 R HA -0.122 4.218 4.340 -0.000 0.000 0.257 14 R C -0.136 175.698 176.300 -0.776 0.000 1.014 14 R CA 0.411 55.876 56.100 -1.058 0.000 0.681 14 R CB -1.232 28.581 30.300 -0.812 0.000 1.155 14 R HN 0.322 nan 8.270 nan 0.000 0.424 15 D N -0.316 119.821 120.400 -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 1.764 55.574 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 0.252 176.876 176.519 0.174 0.000 1.318 16 W CA -0.215 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 1.028 121.057 120.200 -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 -2.373 173.015 175.510 -0.202 0.000 1.136 18 N CA -1.932 50.994 53.050 -0.206 0.000 0.900 18 N CB 1.625 39.999 38.487 -0.189 0.000 1.484 18 N HN -0.228 nan 8.380 nan 0.000 0.526 19 P HA 0.075 nan 4.420 nan 0.000 0.230 19 P C 1.073 178.143 177.300 -0.383 0.000 1.158 19 P CA 0.658 63.436 63.100 -0.537 0.000 0.769 19 P CB 0.169 31.093 31.700 -1.293 0.000 0.807 20 G N -0.346 108.273 108.800 -0.301 0.000 2.572 20 G HA2 0.036 3.996 3.960 -0.000 0.000 0.216 20 G HA3 0.036 3.996 3.960 -0.000 0.000 0.216 20 G C 0.321 175.150 174.900 -0.117 0.000 1.133 20 G CA 0.212 45.189 45.100 -0.206 0.000 0.791 20 G HN 0.211 nan 8.290 nan 0.000 0.538 21 V N 1.446 121.312 119.914 -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 0.153 62.461 62.300 0.012 0.000 0.823 21 V CB 1.213 33.041 31.823 0.007 0.000 1.009 21 V HN 0.304 nan 8.190 nan 0.000 0.436 22 T N 0.742 115.340 114.554 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 -0.010 0.000 1.047 22 T HN 0.691 nan 8.240 nan 0.000 0.511 23 Q N 0.339 120.198 119.800 0.099 0.000 2.756 23 Q HA 0.712 5.051 4.340 -0.000 0.000 0.295 23 Q C -2.191 173.929 176.000 0.200 0.000 0.903 23 Q CA -1.096 54.751 55.803 0.073 0.000 0.768 23 Q CB 1.076 29.785 28.738 -0.049 0.000 1.472 23 Q HN 0.230 nan 8.270 nan 0.000 0.416 24 L N 1.704 123.071 121.223 0.240 0.000 2.580 24 L HA 0.559 4.899 4.340 -0.000 0.000 0.266 24 L C -0.790 176.226 176.870 0.244 0.000 0.955 24 L CA -0.806 54.196 54.840 0.271 0.000 0.886 24 L CB 1.887 44.207 42.059 0.435 0.000 1.263 24 L HN 0.867 nan 8.230 nan 0.000 0.406 25 N N 0.577 119.380 118.700 0.171 0.000 2.800 25 N HA -0.204 4.535 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 -0.745 37.828 38.487 0.143 0.000 1.135 25 N HN 0.690 nan 8.380 nan 0.000 0.565 26 R N 1.209 121.657 120.500 -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 -0.244 0.000 1.069 26 R CA -0.327 55.491 56.100 -0.469 0.000 0.984 26 R CB 0.558 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 2.750 123.822 121.223 -0.251 0.000 2.479 27 L HA 0.328 4.668 4.340 -0.000 0.000 0.248 27 L C 0.755 177.588 176.870 -0.061 0.000 1.205 27 L CA -0.631 54.158 54.840 -0.085 0.000 0.817 27 L CB 0.462 42.509 42.059 -0.020 0.000 1.162 27 L HN 0.738 nan 8.230 nan 0.000 0.486 28 A N 0.485 123.312 122.820 0.012 0.000 2.366 28 A HA 0.554 4.873 4.320 -0.000 0.000 0.249 28 A C 0.157 177.785 177.584 0.074 0.000 1.084 28 A CA -0.024 52.033 52.037 0.033 0.000 0.794 28 A CB 0.284 19.323 19.000 0.065 0.000 1.034 28 A HN 0.766 nan 8.150 nan 0.000 0.491 29 A N 0.732 123.545 122.820 -0.011 0.000 2.304 29 A HA 0.724 5.044 4.320 -0.000 0.000 0.271 29 A C 0.030 177.555 177.584 -0.099 0.000 1.091 29 A CA 0.364 52.321 52.037 -0.134 0.000 0.812 29 A CB -0.001 18.904 19.000 -0.159 0.000 1.056 29 A HN 1.790 nan 8.150 nan 0.000 0.489 30 H N -2.525 116.444 119.070 -0.167 0.000 2.904 30 H HA 0.597 5.152 4.556 -0.000 0.000 0.290 30 H C -3.351 171.749 175.328 -0.379 0.000 1.437 30 H CA -1.736 54.172 56.048 -0.233 0.000 1.147 30 H CB 0.014 29.604 29.762 -0.288 0.000 1.824 30 H HN 0.403 nan 8.280 nan 0.000 0.505 31 P HA 0.206 nan 4.420 nan 0.000 0.274 31 P C -2.591 174.459 177.300 -0.416 0.000 1.260 31 P CA -1.485 61.400 63.100 -0.360 0.000 0.793 31 P CB -0.377 31.085 31.700 -0.397 0.000 1.048 32 P HA 0.144 nan 4.420 nan 0.000 0.271 32 P C -0.845 176.517 177.300 0.104 0.000 1.226 32 P CA 0.773 63.821 63.100 -0.087 0.000 0.765 32 P CB -0.125 31.596 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 57.100 58.000 0.084 0.000 0.967 33 F CB 2.029 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 -0.055 0.000 2.340 34 A HA 0.253 4.573 4.320 -0.000 0.000 0.213 34 A C 0.820 178.123 177.584 -0.467 0.000 1.299 34 A CA 0.486 52.233 52.037 -0.485 0.000 0.994 34 A CB -0.035 18.125 19.000 -1.400 0.000 1.132 34 A HN 0.772 nan 8.150 nan 0.000 0.519 35 S N -0.204 115.324 115.700 -0.287 0.000 3.783 35 S HA -0.131 4.339 4.470 -0.000 0.000 0.360 35 S C -0.059 174.459 174.600 -0.137 0.000 1.006 35 S CA 0.329 58.406 58.200 -0.206 0.000 1.115 35 S CB -1.707 61.357 63.200 -0.227 0.000 0.893 35 S HN 0.493 nan 8.310 nan 0.000 0.475 36 W N 1.370 122.663 121.300 -0.011 0.000 2.148 36 W HA 0.163 4.823 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 -0.199 57.147 57.345 0.002 0.000 1.252 36 W CB 0.170 29.630 29.460 0.001 0.000 1.156 36 W HN 0.375 nan 8.180 nan 0.000 0.580 37 R N 1.534 122.197 120.500 0.272 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 0.509 119.306 118.700 0.160 0.000 2.425 38 N HA -0.022 4.718 4.740 -0.000 0.000 0.289 38 N C 0.378 175.880 175.510 -0.014 0.000 1.074 38 N CA 0.101 53.191 53.050 0.066 0.000 0.905 38 N CB 2.192 40.712 38.487 0.055 0.000 1.586 38 N HN -0.103 nan 8.380 nan 0.000 0.490 39 S N 2.760 118.431 115.700 -0.049 0.000 2.359 39 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 39 S C 1.178 175.637 174.600 -0.235 0.000 1.035 39 S CA 1.267 59.397 58.200 -0.117 0.000 1.018 39 S CB -0.208 62.958 63.200 -0.058 0.000 0.876 39 S HN 0.670 nan 8.310 nan 0.000 0.448 40 E N 0.935 121.017 120.200 -0.196 0.000 2.110 40 E HA -0.124 4.225 4.350 -0.000 0.000 0.193 40 E C 2.206 178.624 176.600 -0.304 0.000 0.988 40 E CA 1.157 57.404 56.400 -0.256 0.000 0.804 40 E CB -0.334 29.258 29.700 -0.180 0.000 0.745 40 E HN 0.753 nan 8.360 nan 0.000 0.458 41 E N 0.618 120.661 120.200 -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 0.979 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 1.579 123.626 122.820 -1.288 0.000 1.902 42 A HA -0.215 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 1.633 52.445 52.037 -2.043 0.000 0.623 42 A CB -0.505 17.811 19.000 -1.141 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 1.443 177.496 176.300 -0.412 0.000 1.117 43 R CA 1.938 57.726 56.100 -0.520 0.000 0.981 43 R CB -0.354 29.563 30.300 -0.638 0.000 0.870 43 R HN 0.585 nan 8.270 nan 0.000 0.451 44 T N -2.846 111.487 114.554 -0.368 0.000 3.105 44 T HA 0.111 4.461 4.350 -0.000 0.000 0.253 44 T C 0.045 174.666 174.700 -0.132 0.000 1.047 44 T CA 0.152 62.120 62.100 -0.219 0.000 0.944 44 T CB 0.246 69.009 68.868 -0.175 0.000 1.016 44 T HN 0.255 nan 8.240 nan 0.000 0.544 45 D N 1.336 121.625 120.400 -0.185 0.000 2.800 45 D HA -0.151 4.489 4.640 -0.000 0.000 0.232 45 D C 0.050 176.456 176.300 0.175 0.000 1.137 45 D CA 0.385 54.408 54.000 0.037 0.000 0.718 45 D CB -0.857 40.000 40.800 0.096 0.000 1.084 45 D HN 0.553 nan 8.370 nan 0.000 0.432 46 R N -0.112 120.487 120.500 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 -0.135 63.090 63.100 0.208 0.000 0.789 47 P CB 1.146 32.925 31.700 0.132 0.000 0.933 48 S N 1.799 117.490 115.700 -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 0.883 63.644 63.200 -0.732 0.000 1.027 48 S HN 0.373 nan 8.310 nan 0.000 0.500 49 Q N 1.722 121.553 119.800 0.052 0.000 2.472 49 Q HA -0.009 4.331 4.340 -0.000 0.000 0.208 49 Q C 0.787 176.925 176.000 0.230 0.000 0.958 49 Q CA 0.350 56.233 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 0.781 nan 8.270 nan 0.000 0.508 50 Q N 0.493 120.356 119.800 0.105 0.000 2.365 50 Q HA 0.148 4.488 4.340 -0.000 0.000 0.203 50 Q C 0.012 176.053 176.000 0.070 0.000 0.929 50 Q CA 0.135 55.982 55.803 0.073 0.000 0.948 50 Q CB 0.101 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 -1.159 175.800 176.870 0.147 0.000 0.996 51 L CA -0.372 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 2.781 123.393 120.500 0.187 0.000 2.561 52 R HA 0.457 4.797 4.340 -0.000 0.000 0.297 52 R C -0.910 175.429 176.300 0.066 0.000 0.969 52 R CA -0.592 55.586 56.100 0.130 0.000 0.879 52 R CB 2.265 32.659 30.300 0.157 0.000 1.178 52 R HN 0.691 nan 8.270 nan 0.000 0.445 53 S N 2.686 118.413 115.700 0.046 0.000 2.565 53 S HA 0.277 4.746 4.470 -0.000 0.000 0.274 53 S C 0.970 175.589 174.600 0.033 0.000 1.309 53 S CA -0.431 57.790 58.200 0.034 0.000 1.043 53 S CB 0.511 63.739 63.200 0.046 0.000 0.939 53 S HN 0.541 nan 8.310 nan 0.000 0.504 54 L N 3.451 124.703 121.223 0.048 0.000 2.857 54 L HA 0.285 4.625 4.340 -0.000 0.000 0.249 54 L C -0.020 177.058 176.870 0.347 0.000 1.172 54 L CA -0.255 54.648 54.840 0.106 0.000 0.980 54 L CB -0.330 41.762 42.059 0.055 0.000 1.299 54 L HN 0.497 nan 8.230 nan 0.000 0.535 55 N N 1.384 120.212 118.700 0.212 0.000 2.530 55 N HA 0.512 5.252 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 0.770 53.949 53.050 0.215 0.000 0.967 55 N CB 1.688 40.226 38.487 0.085 0.000 1.109 55 N HN 0.305 nan 8.380 nan 0.000 0.453 56 G N 0.771 109.756 108.800 0.308 0.000 2.366 56 G HA2 -0.060 3.899 3.960 -0.000 0.000 0.190 56 G HA3 -0.060 3.899 3.960 -0.000 0.000 0.190 56 G C -1.349 173.790 174.900 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 -0.306 120.087 120.200 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 0.809 30.615 29.700 0.177 0.000 1.040 57 E HN 0.383 nan 8.360 nan 0.000 0.408 58 W N 1.656 123.044 121.300 0.148 0.000 3.047 58 W HA 0.402 5.062 4.660 -0.000 0.000 0.341 58 W C -0.529 176.107 176.519 0.196 0.000 1.225 58 W CA -0.740 56.721 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 1.603 122.366 120.500 0.438 0.000 2.474 59 R HA 0.655 4.995 4.340 -0.000 0.000 0.295 59 R C -1.402 175.101 176.300 0.338 0.000 0.980 59 R CA -0.783 55.508 56.100 0.318 0.000 0.934 59 R CB 1.577 32.010 30.300 0.221 0.000 1.101 59 R HN 0.450 nan 8.270 nan 0.000 0.469 60 F N 0.526 120.495 119.950 0.033 0.000 2.578 60 F HA 0.664 5.190 4.527 -0.000 0.000 0.311 60 F C -1.479 174.181 175.800 -0.233 0.000 1.094 60 F CA -0.624 57.256 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 4.229 126.168 122.820 -1.469 0.000 2.549 61 A HA 0.601 4.920 4.320 -0.000 0.000 0.297 61 A C -2.493 174.217 177.584 -1.457 0.000 1.061 61 A CA -0.560 50.802 52.037 -1.125 0.000 0.690 61 A CB 0.778 19.476 19.000 -0.503 0.000 1.287 61 A HN 0.970 nan 8.150 nan 0.000 0.402 62 W N 1.819 122.339 121.300 -1.299 0.000 2.689 62 W HA 0.793 5.452 4.660 -0.000 0.000 0.340 62 W C -1.967 173.956 176.519 -0.992 0.000 1.060 62 W CA -0.441 56.303 57.345 -1.001 0.000 1.218 62 W CB 1.448 30.505 29.460 -0.671 0.000 1.410 62 W HN 0.519 nan 8.180 nan 0.000 0.528 63 F N 4.807 124.121 119.950 -1.060 0.000 2.631 63 F HA 0.349 4.875 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 -2.389 55.116 58.000 -0.824 0.000 0.952 63 F CB 1.395 40.075 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 1.038 63.958 63.100 -0.301 0.000 0.777 64 P CB 0.577 32.317 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 -2.379 175.107 177.584 -0.162 0.000 1.062 65 A CA -1.088 50.893 52.037 -0.093 0.000 0.682 65 A CB 0.610 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 0.847 178.035 177.300 -0.186 0.000 1.150 66 P CA 1.647 64.601 63.100 -0.243 0.000 0.837 66 P CB 0.203 31.733 31.700 -0.284 0.000 0.786 67 E N 0.289 120.446 120.200 -0.072 0.000 2.171 67 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 67 E C 2.100 178.653 176.600 -0.080 0.000 0.997 67 E CA 1.539 57.917 56.400 -0.035 0.000 0.810 67 E CB -0.893 28.824 29.700 0.029 0.000 0.738 67 E HN 0.228 nan 8.360 nan 0.000 0.467 68 A N 0.727 123.486 122.820 -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 0.069 52.063 52.037 -0.072 0.000 0.761 68 A CB -0.010 19.040 19.000 0.083 0.000 0.801 68 A HN 0.043 nan 8.150 nan 0.000 0.473 69 V N 2.530 122.109 119.914 -0.559 0.000 2.572 69 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 69 V C -2.133 173.747 176.094 -0.358 0.000 1.039 69 V CA -1.307 60.487 62.300 -0.843 0.000 1.055 69 V CB 0.757 32.010 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 1.642 33.339 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 4.116 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 2.422 58.787 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 -0.203 115.485 115.700 -0.021 0.000 2.383 72 S HA -0.230 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 -0.739 62.473 63.200 0.020 0.000 0.829 72 S HN 0.548 nan 8.310 nan 0.000 0.467 73 W N 2.695 123.903 121.300 -0.153 0.000 2.292 73 W HA -0.185 4.475 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 1.102 58.348 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 0.055 120.956 121.223 -0.537 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.515 179.105 176.870 -0.466 0.000 1.083 74 L CA 1.503 55.923 54.840 -0.700 0.000 0.752 74 L CB -0.669 41.039 42.059 -0.585 0.000 0.899 74 L HN -0.037 nan 8.230 nan 0.000 0.433 75 E N -1.456 118.567 120.200 -0.295 0.000 2.132 75 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 75 E C 0.272 176.780 176.600 -0.153 0.000 0.951 75 E CA 0.389 56.678 56.400 -0.184 0.000 0.843 75 E CB 0.282 29.914 29.700 -0.113 0.000 0.807 75 E HN 0.307 nan 8.360 nan 0.000 0.467 76 C N 2.218 121.440 119.300 -0.131 0.000 2.563 76 C HA 0.362 4.822 4.460 -0.000 0.000 0.314 76 C C -0.092 174.885 174.990 -0.022 0.000 1.199 76 C CA -1.307 57.671 59.018 -0.067 0.000 1.564 76 C CB 1.445 29.169 27.740 -0.027 0.000 2.173 76 C HN 0.214 nan 8.230 nan 0.000 0.485 77 D N 1.600 122.007 120.400 0.011 0.000 2.419 77 D HA 0.193 4.833 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 0.504 54.562 54.000 0.096 0.000 0.882 77 D CB 0.620 41.473 40.800 0.088 0.000 1.201 77 D HN 0.367 nan 8.370 nan 0.000 0.443 78 L N 2.507 123.833 121.223 0.171 0.000 2.421 78 L HA 0.206 4.546 4.340 -0.000 0.000 0.263 78 L C -1.028 175.887 176.870 0.075 0.000 1.122 78 L CA -1.541 53.373 54.840 0.124 0.000 0.804 78 L CB 0.621 42.762 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 1.031 64.152 63.100 0.036 0.000 0.841 79 P CB 0.187 31.903 31.700 0.028 0.000 0.788 80 E N 0.065 120.275 120.200 0.018 0.000 2.502 80 E HA 0.264 4.613 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 56.257 56.400 -0.003 0.000 0.867 80 E CB -0.491 29.191 29.700 -0.030 0.000 0.888 80 E HN 0.177 nan 8.360 nan 0.000 0.510 81 A N 1.541 124.368 122.820 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 51.652 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 0.537 121.000 120.400 0.105 0.000 2.387 82 D HA 0.418 5.057 4.640 -0.000 0.000 0.255 82 D C -0.516 175.881 176.300 0.163 0.000 1.081 82 D CA 0.108 54.196 54.000 0.146 0.000 0.994 82 D CB 1.336 42.269 40.800 0.221 0.000 1.127 82 D HN 0.423 nan 8.370 nan 0.000 0.513 83 T N 0.800 115.434 114.554 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 3.707 123.725 119.914 0.173 0.000 3.001 84 V HA 0.514 4.633 4.120 -0.000 0.000 0.314 84 V C -0.264 175.939 176.094 0.181 0.000 1.099 84 V CA -0.800 61.564 62.300 0.108 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 3.473 123.469 119.914 0.136 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 0.126 0.000 1.050 85 V CA -0.212 62.180 62.300 0.153 0.000 0.981 85 V CB 1.633 33.517 31.823 0.102 0.000 0.990 85 V HN 0.548 nan 8.190 nan 0.000 0.474 86 V N 7.605 127.528 119.914 0.015 0.000 2.487 86 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 86 V C -2.253 173.754 176.094 -0.145 0.000 1.028 86 V CA -1.592 60.585 62.300 -0.205 0.000 0.860 86 V CB 2.462 33.811 31.823 -0.790 0.000 0.991 86 V HN 0.778 nan 8.190 nan 0.000 0.427 87 P HA 0.615 nan 4.420 nan 0.000 0.282 87 P C -0.899 176.353 177.300 -0.079 0.000 1.259 87 P CA -0.299 62.708 63.100 -0.155 0.000 0.826 87 P CB 1.738 33.349 31.700 -0.149 0.000 1.064 88 S N -0.080 115.591 115.700 -0.048 0.000 2.656 88 S HA 0.381 4.851 4.470 -0.000 0.000 0.265 88 S C -1.488 173.075 174.600 -0.062 0.000 1.110 88 S CA -1.013 57.144 58.200 -0.071 0.000 0.821 88 S CB 0.101 63.255 63.200 -0.076 0.000 1.099 88 S HN 0.358 nan 8.310 nan 0.000 0.471 89 N N 1.036 119.623 118.700 -0.189 0.000 2.417 89 N HA 0.448 5.188 4.740 -0.000 0.000 0.274 89 N C 0.431 175.792 175.510 -0.248 0.000 0.987 89 N CA -0.759 52.155 53.050 -0.227 0.000 0.912 89 N CB 0.759 39.069 38.487 -0.294 0.000 1.177 89 N HN 0.828 nan 8.380 nan 0.000 0.490 90 W N 2.783 123.963 121.300 -0.199 0.000 2.421 90 W HA -0.092 4.568 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 58.139 57.345 -0.198 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 0.296 120.086 119.800 -0.016 0.000 2.224 91 Q HA -0.105 4.235 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 57.409 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 0.212 nan 8.270 nan 0.000 0.445 92 M N -0.937 118.572 119.600 -0.151 0.000 2.630 92 M HA -0.024 4.456 4.480 -0.000 0.000 0.254 92 M C 0.473 176.773 176.300 -0.001 0.000 1.092 92 M CA 1.262 56.467 55.300 -0.159 0.000 1.087 92 M CB -0.519 31.925 32.600 -0.260 0.000 1.453 92 M HN 0.345 nan 8.290 nan 0.000 0.509 93 H N -1.617 117.488 119.070 0.059 0.000 2.755 93 H HA 0.357 4.913 4.556 -0.000 0.000 0.273 93 H C 1.322 176.542 175.328 -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 0.467 109.262 108.800 -0.008 0.000 2.195 94 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.224 94 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.224 94 G C 0.529 175.287 174.900 -0.238 0.000 0.990 94 G CA 0.279 45.276 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 0.201 4.751 4.550 -0.000 0.000 0.286 95 Y C 1.677 177.298 175.900 -0.465 0.000 1.155 95 Y CA 1.616 59.512 58.100 -0.340 0.000 1.164 95 Y CB -0.197 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 -2.314 118.164 120.400 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 -0.817 53.282 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 -0.245 122.681 122.820 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 -1.245 50.869 52.037 0.128 0.000 0.819 97 A CB 0.151 19.282 19.000 0.218 0.000 1.094 97 A HN 0.505 nan 8.150 nan 0.000 0.492 98 P HA 0.464 nan 4.420 nan 0.000 0.278 98 P C -0.872 176.576 177.300 0.246 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 2.400 123.202 120.570 0.385 0.000 2.441 99 I HA 0.284 4.454 4.170 -0.000 0.000 0.295 99 I C -0.504 175.800 176.117 0.312 0.000 0.994 99 I CA -0.943 60.583 61.300 0.377 0.000 1.144 99 I CB 1.623 39.773 38.000 0.249 0.000 1.314 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.589 125.854 120.300 -0.059 0.000 2.842 100 Y HA 0.427 4.977 4.550 -0.000 0.000 0.334 100 Y C -0.249 175.496 175.900 -0.258 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 -1.556 0.000 1.106 100 Y HN 0.549 nan 8.280 nan 0.000 0.545 101 T N 3.865 117.903 114.554 -0.861 0.000 2.887 101 T HA 0.270 4.620 4.350 -0.000 0.000 0.288 101 T C 0.328 174.520 174.700 -0.846 0.000 1.021 101 T CA -0.507 61.141 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 2.095 120.373 118.700 -0.704 0.000 2.335 102 N HA 0.034 4.773 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 0.484 53.234 53.050 -0.500 0.000 0.928 102 N CB 0.218 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 0.486 120.068 119.914 -0.555 0.000 2.436 103 V HA 0.053 4.173 4.120 -0.000 0.000 0.240 103 V C 0.557 176.311 176.094 -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 1.224 115.521 114.554 -0.429 0.000 2.867 104 T HA 0.115 4.465 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 0.325 62.253 62.100 -0.287 0.000 1.159 104 T CB -0.341 68.394 68.868 -0.221 0.000 0.928 104 T HN 0.192 nan 8.240 nan 0.000 0.538 105 Y N 5.200 125.391 120.300 -0.182 0.000 2.597 105 Y HA 0.110 4.660 4.550 -0.000 0.000 0.336 105 Y C -0.875 174.887 175.900 -0.229 0.000 1.216 105 Y CA -1.822 56.158 58.100 -0.200 0.000 1.463 105 Y CB 0.387 38.727 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 1.362 64.352 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 -4.400 115.902 120.570 -0.446 0.000 3.205 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.310 107 I C -0.482 175.496 176.117 -0.232 0.000 1.089 107 I CA -1.042 59.983 61.300 -0.457 0.000 1.023 107 I CB 1.261 38.828 38.000 -0.721 0.000 1.269 107 I HN -0.418 nan 8.210 nan 0.000 0.512 108 T N 2.229 116.687 114.554 -0.160 0.000 2.884 108 T HA 0.243 4.592 4.350 -0.000 0.000 0.298 108 T C 0.139 174.819 174.700 -0.034 0.000 0.998 108 T CA -0.372 61.691 62.100 -0.061 0.000 1.124 108 T CB 1.143 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 4.611 124.524 119.914 -0.003 0.000 2.326 109 V HA 0.221 4.341 4.120 -0.000 0.000 0.249 109 V C 0.655 176.794 176.094 0.074 0.000 1.114 109 V CA -0.172 62.148 62.300 0.033 0.000 1.028 109 V CB -0.676 31.149 31.823 0.003 0.000 1.170 109 V HN 0.810 nan 8.190 nan 0.000 0.494 110 N N 5.405 124.209 118.700 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 -1.454 51.685 53.050 0.149 0.000 0.792 110 N CB 1.461 40.092 38.487 0.240 0.000 1.286 110 N HN 0.250 nan 8.380 nan 0.000 0.506 111 P HA 0.150 nan 4.420 nan 0.000 0.262 111 P C -2.293 174.718 177.300 -0.482 0.000 1.182 111 P CA -0.685 61.952 63.100 -0.772 0.000 0.761 111 P CB 0.435 31.553 31.700 -0.970 0.000 0.795 112 P HA 0.251 nan 4.420 nan 0.000 0.266 112 P C -0.568 176.571 177.300 -0.268 0.000 1.561 112 P CA -0.345 62.499 63.100 -0.426 0.000 1.089 112 P CB 0.026 31.500 31.700 -0.377 0.000 1.534 113 F N -0.327 119.734 119.950 0.184 0.000 2.399 113 F HA 0.300 4.827 4.527 -0.000 0.000 0.342 113 F C 1.143 177.113 175.800 0.283 0.000 1.106 113 F CA -0.836 57.282 58.000 0.196 0.000 1.196 113 F CB 0.990 40.056 39.000 0.111 0.000 1.163 113 F HN -0.286 nan 8.300 nan 0.000 0.547 114 V N 3.182 123.385 119.914 0.482 0.000 2.994 114 V HA 0.450 4.570 4.120 -0.000 0.000 0.318 114 V C -1.957 174.323 176.094 0.309 0.000 1.085 114 V CA -1.943 60.567 62.300 0.350 0.000 0.998 114 V CB 2.095 34.221 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 0.703 178.164 177.300 0.267 0.000 1.237 115 P CA 0.022 63.239 63.100 0.195 0.000 0.793 115 P CB 0.649 32.428 31.700 0.132 0.000 0.977 116 T N -1.050 113.625 114.554 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 1.115 63.333 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 2.834 123.152 120.200 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 -0.271 56.245 56.400 0.192 0.000 0.862 117 E CB 0.442 30.262 29.700 0.199 0.000 1.066 117 E HN 0.366 nan 8.360 nan 0.000 0.396 118 N N 3.627 122.428 118.700 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 -2.626 50.521 53.050 0.162 0.000 0.843 118 N CB 1.147 39.777 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 -0.650 176.525 177.300 -0.208 0.000 1.141 119 P CA 0.623 63.599 63.100 -0.206 0.000 0.858 119 P CB -0.104 31.750 31.700 0.257 0.000 0.804 120 T N 2.850 117.089 114.554 -0.524 0.000 2.837 120 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 120 T C 0.690 174.952 174.700 -0.730 0.000 0.984 120 T CA -0.395 61.445 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 0.302 nan 8.240 nan 0.000 0.472 121 G N 1.126 109.615 108.800 -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 -0.321 174.385 174.900 -0.322 0.000 1.333 121 G CA -0.486 44.204 45.100 -0.683 0.000 0.973 121 G HN 0.899 nan 8.290 nan 0.000 0.507 122 C N 3.024 121.892 119.300 -0.720 0.000 2.281 122 C HA 0.512 4.972 4.460 -0.000 0.000 0.336 122 C C -0.389 174.469 174.990 -0.220 0.000 1.217 122 C CA -1.036 57.581 59.018 -0.668 0.000 1.730 122 C CB -1.748 24.994 27.740 -1.663 0.000 2.338 122 C HN 0.598 nan 8.230 nan 0.000 0.521 123 Y N 1.770 122.240 120.300 0.284 0.000 2.457 123 Y HA 0.670 5.220 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 -0.432 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 1.914 118.120 115.700 0.843 0.000 2.537 124 S HA 0.786 5.256 4.470 -0.000 0.000 0.271 124 S C -1.814 172.869 174.600 0.138 0.000 1.148 124 S CA -0.827 57.665 58.200 0.487 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 0.780 5.120 4.340 -0.000 0.000 0.261 125 L C -1.444 175.384 176.870 -0.069 0.000 0.945 125 L CA 0.024 54.623 54.840 -0.402 0.000 0.848 125 L CB 2.358 43.588 42.059 -1.382 0.000 1.334 125 L HN 0.863 nan 8.230 nan 0.000 0.407 126 T N 5.235 119.770 114.554 -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 -0.078 62.046 62.100 0.040 0.000 0.957 126 T CB 0.377 69.224 68.868 -0.034 0.000 0.930 126 T HN 0.487 nan 8.240 nan 0.000 0.443 127 F N 0.849 120.715 119.950 -0.140 0.000 2.685 127 F HA 0.733 5.260 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 0.227 nan 8.300 nan 0.000 0.469 128 N N 0.164 118.785 118.700 -0.133 0.000 2.399 128 N HA 0.665 5.405 4.740 -0.000 0.000 0.295 128 N C -1.643 173.790 175.510 -0.129 0.000 1.048 128 N CA -0.579 52.356 53.050 -0.192 0.000 0.886 128 N CB 2.182 40.599 38.487 -0.117 0.000 1.185 128 N HN 0.576 nan 8.380 nan 0.000 0.487 129 V N 1.495 121.296 119.914 -0.188 0.000 2.459 129 V HA 0.244 4.363 4.120 -0.000 0.000 0.295 129 V C -0.244 175.716 176.094 -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 -0.061 0.000 0.985 129 V HN 0.661 nan 8.190 nan 0.000 0.438 130 D N 3.180 123.335 120.400 -0.407 0.000 2.424 130 D HA -0.013 4.626 4.640 -0.000 0.000 0.244 130 D C 1.299 177.506 176.300 -0.156 0.000 1.134 130 D CA 0.115 53.923 54.000 -0.321 0.000 0.881 130 D CB 1.202 41.748 40.800 -0.424 0.000 1.191 130 D HN 0.833 nan 8.370 nan 0.000 0.445 131 E N 2.234 122.389 120.200 -0.076 0.000 2.347 131 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 131 E C 1.358 177.986 176.600 0.047 0.000 1.008 131 E CA 0.773 57.170 56.400 -0.004 0.000 0.852 131 E CB -0.030 29.665 29.700 -0.008 0.000 0.783 131 E HN 0.366 nan 8.360 nan 0.000 0.505 132 S N 0.341 116.067 115.700 0.044 0.000 2.370 132 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 132 S C 1.442 176.140 174.600 0.163 0.000 1.033 132 S CA 1.308 59.568 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 1.389 122.548 121.300 -0.236 0.000 2.392 133 W HA 0.195 4.855 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 57.164 57.345 -0.447 0.000 1.233 133 W CB -0.801 28.425 29.460 -0.391 0.000 1.122 133 W HN 0.338 nan 8.180 nan 0.000 0.561 134 L N -0.541 120.812 121.223 0.217 0.000 2.341 134 L HA -0.138 4.201 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 -0.256 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 -0.259 119.609 119.800 0.112 0.000 2.008 135 Q HA -0.085 4.255 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 0.899 56.754 55.803 0.086 0.000 0.826 135 Q CB 0.010 28.789 28.738 0.068 0.000 0.894 135 Q HN 0.193 nan 8.270 nan 0.000 0.439 136 E N 0.593 120.866 120.200 0.122 0.000 2.235 136 E HA 0.464 4.814 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 56.483 56.400 0.116 0.000 0.819 136 E CB 1.264 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 -0.195 3.765 3.960 -0.000 0.000 0.224 137 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.224 137 G C -0.947 173.886 174.900 -0.111 0.000 1.341 137 G CA 0.050 45.070 45.100 -0.133 0.000 0.880 137 G HN 0.783 nan 8.290 nan 0.000 0.566 138 Q N -0.397 119.208 119.800 -0.325 0.000 2.347 138 Q HA 0.646 4.985 4.340 -0.000 0.000 0.271 138 Q C -1.294 174.599 176.000 -0.179 0.000 1.064 138 Q CA -0.442 55.259 55.803 -0.170 0.000 0.800 138 Q CB 1.893 30.559 28.738 -0.120 0.000 1.304 138 Q HN 0.643 nan 8.270 nan 0.000 0.438 139 T N 4.964 119.542 114.554 0.040 0.000 2.815 139 T HA 0.484 4.833 4.350 -0.000 0.000 0.289 139 T C -0.716 174.066 174.700 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 69.625 68.868 0.317 0.000 0.944 139 T HN 0.625 nan 8.240 nan 0.000 0.442 140 R N 3.169 123.725 120.500 0.094 0.000 2.854 140 R HA 0.757 5.097 4.340 -0.000 0.000 0.271 140 R C -1.231 175.136 176.300 0.111 0.000 0.994 140 R CA -0.979 55.192 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 2.726 123.370 120.570 0.123 0.000 2.460 141 I HA 0.431 4.601 4.170 -0.000 0.000 0.298 141 I C -1.029 175.097 176.117 0.014 0.000 0.989 141 I CA -1.364 59.952 61.300 0.025 0.000 1.173 141 I CB 1.396 39.390 38.000 -0.010 0.000 1.338 141 I HN 0.620 nan 8.210 nan 0.000 0.456 142 I N 7.227 127.703 120.570 -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 -0.347 0.000 1.023 142 I CA -0.407 60.816 61.300 -0.129 0.000 1.083 142 I CB 1.552 39.514 38.000 -0.064 0.000 1.245 142 I HN 0.369 nan 8.210 nan 0.000 0.434 143 F N 4.521 124.480 119.950 0.015 0.000 2.334 143 F HA 0.266 4.793 4.527 -0.000 0.000 0.367 143 F C 1.320 177.026 175.800 -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 4.655 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 1.059 54.961 54.000 -0.163 0.000 0.867 144 D CB 0.285 40.946 40.800 -0.232 0.000 0.929 144 D HN 0.648 nan 8.370 nan 0.000 0.492 145 G N -0.881 107.705 108.800 -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 -0.619 0.000 1.396 145 G CA -0.514 44.243 45.100 -0.570 0.000 1.104 145 G HN -0.051 nan 8.290 nan 0.000 0.587 146 V N 2.385 122.154 119.914 -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 33.399 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 0.621 176.081 175.510 -0.082 0.000 1.008 147 N CA 0.187 53.258 53.050 0.034 0.000 0.880 147 N CB 2.376 40.785 38.487 -0.131 0.000 1.239 147 N HN 0.667 nan 8.380 nan 0.000 0.484 148 S N 2.055 117.735 115.700 -0.033 0.000 2.505 148 S HA 0.541 5.011 4.470 -0.000 0.000 0.216 148 S C 0.322 174.986 174.600 0.108 0.000 1.018 148 S CA 0.218 58.449 58.200 0.052 0.000 0.911 148 S CB 0.240 63.487 63.200 0.079 0.000 0.818 148 S HN 0.697 nan 8.310 nan 0.000 0.497 149 A N 0.723 123.621 122.820 0.129 0.000 2.606 149 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 149 A C -1.268 176.459 177.584 0.239 0.000 1.082 149 A CA -0.933 51.167 52.037 0.105 0.000 0.685 149 A CB 0.939 20.020 19.000 0.134 0.000 1.284 149 A HN 1.189 nan 8.150 nan 0.000 0.408 150 F N -0.664 119.165 119.950 -0.203 0.000 2.725 150 F HA 0.695 5.222 4.527 -0.000 0.000 0.309 150 F C -1.365 174.441 175.800 0.010 0.000 1.132 150 F CA -0.777 57.192 58.000 -0.051 0.000 0.957 150 F CB 1.014 39.954 39.000 -0.101 0.000 1.286 150 F HN 0.644 nan 8.300 nan 0.000 0.440 151 H N 2.026 121.292 119.070 0.326 0.000 2.499 151 H HA 0.774 5.330 4.556 -0.000 0.000 0.340 151 H C -1.421 173.974 175.328 0.113 0.000 1.148 151 H CA -0.719 55.440 56.048 0.184 0.000 1.215 151 H CB 2.421 32.322 29.762 0.232 0.000 1.529 151 H HN 0.817 nan 8.280 nan 0.000 0.510 152 L N 2.404 123.524 121.223 -0.173 0.000 2.408 152 L HA 0.413 4.753 4.340 -0.000 0.000 0.268 152 L C -1.738 174.877 176.870 -0.426 0.000 0.986 152 L CA -0.529 54.242 54.840 -0.115 0.000 0.820 152 L CB 1.727 43.586 42.059 -0.332 0.000 1.303 152 L HN 0.513 nan 8.230 nan 0.000 0.411 153 W N 4.192 125.466 121.300 -0.043 0.000 2.761 153 W HA 0.625 5.285 4.660 -0.000 0.000 0.340 153 W C -1.138 175.315 176.519 -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 31.529 29.460 -0.043 0.000 1.420 153 W HN 0.646 nan 8.180 nan 0.000 0.519 154 C N 4.832 124.203 119.300 0.119 0.000 2.397 154 C HA 0.298 4.758 4.460 -0.000 0.000 0.325 154 C C 0.163 175.254 174.990 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 3.712 122.480 118.700 0.115 0.000 2.727 155 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 155 N C 0.985 176.554 175.510 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 -1.276 107.573 108.800 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 45.692 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 0.376 0.000 2.312 157 R HA 0.415 4.755 4.340 -0.000 0.000 0.311 157 R C -0.150 176.430 176.300 0.466 0.000 1.004 157 R CA -0.858 55.536 56.100 0.490 0.000 0.902 157 R CB 0.748 31.372 30.300 0.540 0.000 1.073 157 R HN 0.249 nan 8.270 nan 0.000 0.457 158 W N 4.189 125.621 121.300 0.220 0.000 2.308 158 W HA 0.055 4.715 4.660 -0.000 0.000 0.324 158 W C 0.025 176.386 176.519 -0.263 0.000 1.387 158 W CA 0.064 57.166 57.345 -0.406 0.000 1.250 158 W CB 0.615 29.848 29.460 -0.379 0.000 1.257 158 W HN 0.354 nan 8.180 nan 0.000 0.554 159 V N 5.520 124.578 119.914 -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 -1.624 0.000 1.113 159 V CA 0.975 62.492 62.300 -1.305 0.000 1.137 159 V CB -0.364 30.761 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 -1.967 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 -2.461 172.158 174.900 -0.468 0.000 1.291 160 G CA -0.281 44.138 45.100 -1.136 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 -0.075 175.650 175.900 -0.291 0.000 1.045 161 Y CA -0.145 57.759 58.100 -0.326 0.000 1.028 161 Y CB 2.267 40.664 38.460 -0.105 0.000 1.297 161 Y HN 1.291 nan 8.280 nan 0.000 0.463 162 G N 3.501 111.472 108.800 -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 -2.157 172.268 174.900 -0.792 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 -0.028 119.554 119.800 -0.363 0.000 2.496 163 Q HA 0.607 4.947 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 2.735 31.431 28.738 -0.070 0.000 1.444 163 Q HN 0.637 nan 8.270 nan 0.000 0.443 164 D N -0.074 120.356 120.400 0.049 0.000 4.370 164 D HA -0.098 4.542 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 -0.680 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 3.111 118.884 115.700 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 63.315 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 0.139 176.499 176.300 0.099 0.000 0.897 166 R CA 0.069 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 1.916 123.172 121.223 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 -2.694 52.152 54.840 0.011 0.000 0.820 167 L CB 2.444 44.500 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 -0.045 63.027 63.100 -0.047 0.000 0.765 168 P CB 0.652 32.289 31.700 -0.105 0.000 0.823 169 S N 2.067 117.810 115.700 0.073 0.000 2.449 169 S HA 0.344 4.814 4.470 -0.000 0.000 0.310 169 S C -0.349 174.262 174.600 0.018 0.000 1.096 169 S CA -0.642 57.578 58.200 0.033 0.000 1.095 169 S CB 0.918 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 1.912 121.937 120.200 -0.292 0.000 2.238 170 E HA 0.616 4.965 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 40.184 39.000 -0.002 0.000 1.254 171 F HN 0.234 nan 8.300 nan 0.000 0.455 172 D N 2.209 122.768 120.400 0.265 0.000 2.339 172 D HA 0.232 4.872 4.640 -0.000 0.000 0.256 172 D C 0.467 176.908 176.300 0.236 0.000 1.214 172 D CA 0.389 54.511 54.000 0.204 0.000 0.877 172 D CB 0.979 41.888 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 1.272 117.147 115.700 0.291 0.000 2.461 174 S HA -0.366 4.104 4.470 -0.000 0.000 0.266 174 S C 1.780 176.491 174.600 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 62.963 63.200 0.144 0.000 1.042 174 S HN 0.584 nan 8.310 nan 0.000 0.448 175 A N -0.933 121.989 122.820 0.171 0.000 2.307 175 A HA 0.455 4.775 4.320 -0.000 0.000 0.218 175 A C 0.930 178.390 177.584 -0.207 0.000 1.228 175 A CA 0.030 52.029 52.037 -0.065 0.000 0.857 175 A CB -0.273 18.566 19.000 -0.269 0.000 0.897 175 A HN 0.473 nan 8.150 nan 0.000 0.495 176 F N -1.038 118.952 119.950 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 -0.656 57.380 58.000 0.061 0.000 1.224 176 F CB -0.015 39.024 39.000 0.065 0.000 1.060 176 F HN -0.057 nan 8.300 nan 0.000 0.584 177 L N 1.981 123.366 121.223 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 0.728 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 1.460 121.970 120.500 0.018 0.000 2.787 178 R HA 0.681 5.021 4.340 -0.000 0.000 0.271 178 R C -0.542 175.734 176.300 -0.039 0.000 0.993 178 R CA -0.890 55.201 56.100 -0.015 0.000 0.993 178 R CB 1.797 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 0.794 123.593 122.820 -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 0.704 52.711 52.037 -0.049 0.000 0.791 179 A CB 0.128 19.109 19.000 -0.032 0.000 1.029 179 A HN 0.870 nan 8.150 nan 0.000 0.489 180 G N 1.042 109.776 108.800 -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 0.302 45.322 45.100 -0.133 0.000 0.960 180 G HN 0.977 nan 8.290 nan 0.000 0.544 181 E N 2.334 122.419 120.200 -0.191 0.000 2.265 181 E HA 0.256 4.605 4.350 -0.000 0.000 0.272 181 E C -0.083 176.324 176.600 -0.322 0.000 1.067 181 E CA 0.024 56.276 56.400 -0.248 0.000 0.900 181 E CB 0.112 29.713 29.700 -0.164 0.000 1.017 181 E HN 0.368 nan 8.360 nan 0.000 0.431 182 N N 2.792 121.144 118.700 -0.580 0.000 2.328 182 N HA 0.396 5.136 4.740 -0.000 0.000 0.299 182 N C -0.790 174.437 175.510 -0.472 0.000 1.179 182 N CA -0.629 52.059 53.050 -0.604 0.000 0.793 182 N CB 2.183 40.086 38.487 -0.973 0.000 1.366 182 N HN 0.285 nan 8.380 nan 0.000 0.493 183 R N 1.541 121.945 120.500 -0.159 0.000 2.532 183 R HA 0.444 4.784 4.340 -0.000 0.000 0.297 183 R C -1.177 175.203 176.300 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 4.980 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 1.808 43.993 42.059 0.211 0.000 1.197 184 L HN 0.676 nan 8.230 nan 0.000 0.431 185 A N 3.680 126.594 122.820 0.156 0.000 2.375 185 A HA 0.669 4.989 4.320 -0.000 0.000 0.291 185 A C -0.882 177.025 177.584 0.539 0.000 1.160 185 A CA -0.441 51.629 52.037 0.055 0.000 0.747 185 A CB 1.239 19.671 19.000 -0.946 0.000 1.170 185 A HN 0.380 nan 8.150 nan 0.000 0.458 186 V N 3.534 123.929 119.914 0.803 0.000 2.347 186 V HA 0.451 4.571 4.120 -0.000 0.000 0.280 186 V C 0.132 176.716 176.094 0.817 0.000 1.021 186 V CA -0.243 62.505 62.300 0.746 0.000 0.847 186 V CB 1.203 33.308 31.823 0.471 0.000 0.990 186 V HN 0.944 nan 8.190 nan 0.000 0.444 187 M N 6.441 126.526 119.600 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 55.272 55.300 0.485 0.000 1.021 187 M CB 1.137 34.065 32.600 0.548 0.000 1.530 187 M HN 0.455 nan 8.290 nan 0.000 0.437 188 V N 6.766 126.868 119.914 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 1.181 33.224 31.823 0.368 0.000 0.983 188 V HN 0.791 nan 8.190 nan 0.000 0.460 189 L N 3.748 125.057 121.223 0.143 0.000 2.334 189 L HA 0.628 4.967 4.340 -0.000 0.000 0.275 189 L C 1.284 178.131 176.870 -0.038 0.000 1.036 189 L CA -0.727 54.122 54.840 0.015 0.000 0.807 189 L CB 1.317 43.266 42.059 -0.183 0.000 1.231 189 L HN 0.539 nan 8.230 nan 0.000 0.438 190 R N 1.637 122.023 120.500 -0.191 0.000 2.055 190 R HA 0.025 4.365 4.340 -0.000 0.000 0.228 190 R C -0.282 175.677 176.300 -0.567 0.000 1.143 190 R CA 1.408 57.136 56.100 -0.620 0.000 0.945 190 R CB 0.152 29.799 30.300 -1.088 0.000 0.841 190 R HN 0.614 nan 8.270 nan 0.000 0.429 191 W N 0.550 121.900 121.300 0.084 0.000 2.496 191 W HA 0.328 4.988 4.660 -0.000 0.000 0.327 191 W C -0.060 176.568 176.519 0.183 0.000 1.086 191 W CA -0.847 56.560 57.345 0.103 0.000 1.222 191 W CB 1.461 30.987 29.460 0.109 0.000 1.304 191 W HN 0.046 nan 8.180 nan 0.000 0.547 192 S N -0.904 115.083 115.700 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 0.419 0.000 1.175 192 S CA -0.544 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 1.267 55.548 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 0.054 109.068 108.800 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 1.726 176.802 174.900 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 0.765 59.083 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 1.019 121.422 120.300 0.171 0.000 2.483 196 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 196 Y C 1.501 177.497 175.900 0.160 0.000 1.143 196 Y CA 0.605 58.736 58.100 0.051 0.000 1.289 196 Y CB -0.166 38.203 38.460 -0.151 0.000 0.983 196 Y HN 0.194 nan 8.280 nan 0.000 0.556 197 L N -0.206 121.200 121.223 0.305 0.000 2.769 197 L HA 0.149 4.489 4.340 -0.000 0.000 0.240 197 L C 0.036 177.039 176.870 0.222 0.000 1.163 197 L CA 0.346 55.322 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 -0.296 120.051 120.200 0.243 0.000 3.646 198 E HA 0.042 4.391 4.350 -0.000 0.000 0.211 198 E C -0.455 176.251 176.600 0.176 0.000 1.034 198 E CA -0.071 56.457 56.400 0.213 0.000 1.341 198 E CB 0.529 30.349 29.700 0.199 0.000 1.202 198 E HN 0.029 nan 8.360 nan 0.000 0.447 199 D N 1.345 121.812 120.400 0.112 0.000 2.519 199 D HA 0.015 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 -0.004 53.949 54.000 -0.078 0.000 0.835 199 D CB 0.088 40.602 40.800 -0.476 0.000 0.975 199 D HN 0.066 nan 8.370 nan 0.000 0.490 200 Q N 0.361 120.243 119.800 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 0.035 55.985 55.803 0.244 0.000 0.895 200 Q CB 0.544 29.570 28.738 0.479 0.000 1.271 200 Q HN 0.042 nan 8.270 nan 0.000 0.460 201 D N 2.702 123.238 120.400 0.228 0.000 2.441 201 D HA 0.194 4.834 4.640 -0.000 0.000 0.243 201 D C -0.816 175.634 176.300 0.250 0.000 1.257 201 D CA 0.154 54.255 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 0.425 120.123 119.600 0.163 0.000 3.084 202 M HA 0.404 4.883 4.480 -0.000 0.000 0.273 202 M C -1.263 175.140 176.300 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 -0.076 nan 8.290 nan 0.000 0.493 203 W N 1.937 123.332 121.300 0.160 0.000 2.210 203 W HA 0.349 5.009 4.660 -0.000 0.000 0.330 203 W C 0.190 176.721 176.519 0.021 0.000 1.334 203 W CA -0.107 57.312 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 4.831 125.501 120.500 0.283 0.000 2.205 204 R HA 0.393 4.733 4.340 -0.000 0.000 0.342 204 R C -0.154 176.172 176.300 0.042 0.000 1.058 204 R CA -0.180 56.018 56.100 0.163 0.000 0.904 204 R CB 0.097 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 -0.121 175.866 176.300 -0.523 0.000 1.155 205 M CA -0.748 54.356 55.300 -0.326 0.000 0.781 205 M CB 2.224 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 -0.733 0.000 2.611 206 S HA 0.934 5.404 4.470 -0.000 0.000 0.268 206 S C -0.579 173.566 174.600 -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 -1.199 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 0.129 4.089 3.960 -0.000 0.000 0.517 207 G HA3 0.129 4.089 3.960 -0.000 0.000 0.517 207 G C -1.402 173.486 174.900 -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 -0.225 0.000 2.316 208 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 208 I C 1.132 177.117 176.117 -0.220 0.000 1.107 208 I CA -0.285 60.780 61.300 -0.392 0.000 1.219 208 I CB -0.127 37.417 38.000 -0.759 0.000 1.455 208 I HN 0.518 nan 8.210 nan 0.000 0.498 209 F N 4.101 123.915 119.950 -0.226 0.000 2.765 209 F HA 0.411 4.937 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 -0.458 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 0.565 120.658 120.500 -0.678 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 -1.149 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 0.772 121.075 120.400 -0.162 0.000 2.563 211 D HA 0.070 4.710 4.640 -0.000 0.000 0.229 211 D C -0.306 175.899 176.300 -0.158 0.000 1.159 211 D CA 0.537 54.465 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 0.062 nan 8.370 nan 0.000 0.478 212 V N 1.175 121.007 119.914 -0.137 0.000 2.487 212 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 212 V C 0.008 176.016 176.094 -0.144 0.000 1.028 212 V CA -0.517 61.658 62.300 -0.208 0.000 0.860 212 V CB 1.797 33.519 31.823 -0.168 0.000 0.991 212 V HN 0.572 nan 8.190 nan 0.000 0.427 213 S N 4.196 119.773 115.700 -0.204 0.000 2.651 213 S HA 0.802 5.272 4.470 -0.000 0.000 0.279 213 S C -1.184 173.368 174.600 -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 1.887 123.131 121.223 0.036 0.000 2.386 214 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 214 L C -1.515 175.463 176.870 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 44.056 42.059 0.309 0.000 1.294 214 L HN 0.504 nan 8.230 nan 0.000 0.414 215 L N 2.296 123.577 121.223 0.096 0.000 2.410 215 L HA 0.503 4.843 4.340 -0.000 0.000 0.270 215 L C -1.091 175.664 176.870 -0.191 0.000 0.983 215 L CA -0.264 54.560 54.840 -0.027 0.000 0.822 215 L CB 1.732 43.786 42.059 -0.008 0.000 1.285 215 L HN 0.495 nan 8.230 nan 0.000 0.409 216 H N 3.904 122.634 119.070 -0.567 0.000 2.541 216 H HA 0.576 5.132 4.556 -0.000 0.000 0.316 216 H C -1.182 173.854 175.328 -0.487 0.000 1.043 216 H CA -0.188 55.366 56.048 -0.823 0.000 1.232 216 H CB 0.946 29.623 29.762 -1.808 0.000 1.406 216 H HN 0.624 nan 8.280 nan 0.000 0.469 217 K N 5.453 125.365 120.400 -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 1.776 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 -0.130 62.813 63.100 -0.260 0.000 0.789 218 P CB 0.483 32.085 31.700 -0.163 0.000 0.951 219 T N -2.603 111.863 114.554 -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 1.269 63.300 62.100 -0.114 0.000 1.136 219 T CB -0.808 68.018 68.868 -0.071 0.000 0.874 219 T HN 0.318 nan 8.240 nan 0.000 0.466 220 T N 3.404 117.890 114.554 -0.115 0.000 2.853 220 T HA 0.437 4.787 4.350 -0.000 0.000 0.317 220 T C -0.280 174.334 174.700 -0.143 0.000 1.059 220 T CA -0.795 61.229 62.100 -0.128 0.000 0.954 220 T CB 0.670 69.472 68.868 -0.108 0.000 0.994 220 T HN 0.583 nan 8.240 nan 0.000 0.479 221 Q N 2.508 122.207 119.800 -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 30.081 28.738 -0.251 0.000 1.497 221 Q HN 0.412 nan 8.270 nan 0.000 0.443 222 I N 2.559 122.996 120.570 -0.222 0.000 2.436 222 I HA -0.001 4.169 4.170 -0.000 0.000 0.289 222 I C 0.680 176.628 176.117 -0.281 0.000 1.083 222 I CA 0.054 61.241 61.300 -0.189 0.000 1.372 222 I CB 0.998 38.852 38.000 -0.243 0.000 1.408 222 I HN 0.830 nan 8.210 nan 0.000 0.516 223 S N 2.842 118.496 115.700 -0.076 0.000 2.502 223 S HA 0.186 4.656 4.470 -0.000 0.000 0.215 223 S C 0.178 174.967 174.600 0.315 0.000 1.009 223 S CA -0.253 57.962 58.200 0.025 0.000 0.908 223 S CB 0.316 63.525 63.200 0.015 0.000 0.801 223 S HN 0.713 nan 8.310 nan 0.000 0.505 224 D N -0.334 120.261 120.400 0.325 0.000 2.720 224 D HA 0.503 5.143 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 -0.735 53.503 54.000 0.396 0.000 0.748 224 D CB 1.474 42.397 40.800 0.205 0.000 1.387 224 D HN 0.220 nan 8.370 nan 0.000 0.438 225 F N -0.382 119.617 119.950 0.081 0.000 2.665 225 F HA 0.670 5.196 4.527 -0.000 0.000 0.308 225 F C -1.638 174.214 175.800 0.088 0.000 1.112 225 F CA -0.737 57.234 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 1.528 120.593 119.070 -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 0.807 4.927 4.120 -0.000 0.000 0.310 227 V C -0.712 175.360 176.094 -0.036 0.000 1.054 227 V CA -0.440 61.872 62.300 0.019 0.000 0.928 227 V CB 1.683 33.497 31.823 -0.015 0.000 1.007 227 V HN 0.965 nan 8.190 nan 0.000 0.437 228 A N 2.430 125.210 122.820 -0.067 0.000 2.520 228 A HA 0.841 5.161 4.320 -0.000 0.000 0.298 228 A C -0.485 177.012 177.584 -0.145 0.000 1.051 228 A CA -0.338 51.648 52.037 -0.085 0.000 0.690 228 A CB 2.082 21.055 19.000 -0.044 0.000 1.281 228 A HN 0.927 nan 8.150 nan 0.000 0.402 229 T N 0.027 114.488 114.554 -0.155 0.000 2.792 229 T HA 0.778 5.128 4.350 -0.000 0.000 0.280 229 T C -0.394 174.154 174.700 -0.253 0.000 0.990 229 T CA -0.664 61.279 62.100 -0.260 0.000 0.960 229 T CB 1.152 69.830 68.868 -0.316 0.000 0.939 229 T HN 0.694 nan 8.240 nan 0.000 0.439 230 R N 1.785 122.047 120.500 -0.396 0.000 2.711 230 R HA 0.773 5.113 4.340 -0.000 0.000 0.284 230 R C -1.180 174.753 176.300 -0.612 0.000 0.968 230 R CA -0.730 55.196 56.100 -0.290 0.000 0.924 230 R CB 1.557 31.784 30.300 -0.121 0.000 1.162 230 R HN 0.561 nan 8.270 nan 0.000 0.465 231 F N 0.232 120.188 119.950 0.011 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.419 176.110 175.800 -0.180 0.000 1.067 231 F CA -1.190 56.766 58.000 -0.073 0.000 0.969 231 F CB 0.932 39.825 39.000 -0.178 0.000 1.332 231 F HN 0.510 nan 8.300 nan 0.000 0.490 232 N N -0.023 118.679 118.700 0.003 0.000 2.405 232 N HA 0.087 4.827 4.740 -0.000 0.000 0.269 232 N C 0.586 175.953 175.510 -0.238 0.000 1.249 232 N CA -0.175 52.825 53.050 -0.083 0.000 0.974 232 N CB 0.082 38.542 38.487 -0.045 0.000 1.204 232 N HN 0.705 nan 8.380 nan 0.000 0.565 233 D N -0.627 119.674 120.400 -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 2.070 55.967 54.000 -0.171 0.000 0.860 233 D CB -0.510 40.251 40.800 -0.065 0.000 0.931 233 D HN 0.761 nan 8.370 nan 0.000 0.448 234 D N -1.820 118.493 120.400 -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 39.837 40.800 0.076 0.000 0.985 234 D HN 0.286 nan 8.370 nan 0.000 0.504 235 F N 0.278 120.287 119.950 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 0.774 58.856 58.000 0.137 0.000 1.222 235 F CB -2.390 36.596 39.000 -0.024 0.000 1.457 235 F HN 0.198 nan 8.300 nan 0.000 0.383 236 S N -0.730 115.082 115.700 0.186 0.000 2.527 236 S HA 0.161 4.631 4.470 -0.000 0.000 0.222 236 S C 0.656 175.307 174.600 0.086 0.000 0.985 236 S CA 0.526 58.800 58.200 0.124 0.000 0.921 236 S CB 0.407 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 -0.152 120.407 120.500 0.098 0.000 2.584 237 R HA 0.687 5.027 4.340 -0.000 0.000 0.276 237 R C -1.604 174.710 176.300 0.022 0.000 1.046 237 R CA -0.104 56.015 56.100 0.032 0.000 0.906 237 R CB 1.802 32.105 30.300 0.004 0.000 1.215 237 R HN 0.264 nan 8.270 nan 0.000 0.449 238 A N 2.468 125.242 122.820 -0.077 0.000 2.479 238 A HA 0.781 5.101 4.320 -0.000 0.000 0.296 238 A C -1.491 176.003 177.584 -0.150 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 1.216 121.023 119.914 -0.178 0.000 2.525 239 V HA 0.430 4.550 4.120 -0.000 0.000 0.299 239 V C -0.937 175.107 176.094 -0.083 0.000 1.034 239 V CA -0.366 61.874 62.300 -0.100 0.000 0.863 239 V CB 1.325 33.087 31.823 -0.102 0.000 0.999 239 V HN 0.848 nan 8.190 nan 0.000 0.423 240 L N 4.674 125.883 121.223 -0.023 0.000 2.292 240 L HA 0.659 4.999 4.340 -0.000 0.000 0.284 240 L C -0.092 176.741 176.870 -0.060 0.000 1.065 240 L CA 0.445 55.249 54.840 -0.059 0.000 0.806 240 L CB 1.256 43.303 42.059 -0.021 0.000 1.175 240 L HN 0.845 nan 8.230 nan 0.000 0.431 241 E N 4.737 124.896 120.200 -0.068 0.000 2.218 241 E HA 0.730 5.080 4.350 -0.000 0.000 0.263 241 E C -1.746 174.844 176.600 -0.018 0.000 0.879 241 E CA -0.839 55.536 56.400 -0.042 0.000 0.762 241 E CB 1.547 31.221 29.700 -0.043 0.000 1.166 241 E HN 0.848 nan 8.360 nan 0.000 0.415 242 A N 4.359 127.176 122.820 -0.006 0.000 2.331 242 A HA 0.475 4.795 4.320 -0.000 0.000 0.320 242 A C -0.852 176.736 177.584 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 2.219 122.424 120.200 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 31.303 29.700 -0.101 0.000 1.133 243 E HN 0.388 nan 8.360 nan 0.000 0.409 244 V N 4.125 124.007 119.914 -0.053 0.000 2.604 244 V HA 0.374 4.494 4.120 -0.000 0.000 0.305 244 V C -0.524 175.615 176.094 0.075 0.000 1.043 244 V CA -0.787 61.522 62.300 0.016 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 4.010 123.871 119.800 0.101 0.000 2.377 245 Q HA 0.842 5.182 4.340 -0.000 0.000 0.271 245 Q C -0.879 175.189 176.000 0.113 0.000 1.077 245 Q CA -0.880 54.995 55.803 0.121 0.000 0.820 245 Q CB 2.849 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 0.769 5.248 4.480 -0.000 0.000 0.310 246 M C -1.340 174.854 176.300 -0.177 0.000 1.204 246 M CA -0.463 54.743 55.300 -0.156 0.000 0.891 246 M CB 2.069 34.392 32.600 -0.460 0.000 1.732 246 M HN 0.556 nan 8.290 nan 0.000 0.467 247 C N 1.571 120.772 119.300 -0.166 0.000 2.561 247 C HA 1.016 5.476 4.460 -0.000 0.000 0.319 247 C C 0.658 175.551 174.990 -0.161 0.000 1.198 247 C CA 0.928 59.865 59.018 -0.135 0.000 1.665 247 C CB 0.875 28.557 27.740 -0.098 0.000 2.258 247 C HN 1.322 nan 8.230 nan 0.000 0.493 248 G N 3.466 112.185 108.800 -0.136 0.000 2.342 248 G HA2 0.080 4.040 3.960 -0.000 0.000 0.220 248 G HA3 0.080 4.040 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 -0.117 44.905 45.100 -0.130 0.000 1.083 248 G HN 0.903 nan 8.290 nan 0.000 0.500 249 E N 0.606 120.729 120.200 -0.128 0.000 2.001 249 E HA 0.624 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 4.427 125.537 121.223 -0.188 0.000 2.418 250 L HA 0.277 4.617 4.340 -0.000 0.000 0.274 250 L C -0.036 176.715 176.870 -0.200 0.000 1.135 250 L CA 0.024 54.723 54.840 -0.236 0.000 0.870 250 L CB 0.208 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 2.777 123.098 120.500 -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 1.649 31.558 30.300 -0.652 0.000 1.207 251 R HN 0.640 nan 8.270 nan 0.000 0.463 252 D N 1.268 121.555 120.400 -0.188 0.000 2.378 252 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 252 D C 1.022 177.296 176.300 -0.043 0.000 0.980 252 D CA 1.197 55.155 54.000 -0.070 0.000 0.907 252 D CB -0.012 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 1.026 176.931 175.900 0.008 0.000 1.169 253 Y CA -0.874 57.235 58.100 0.015 0.000 1.285 253 Y CB -0.474 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 2.892 123.925 121.223 -0.317 0.000 2.461 254 L HA 0.284 4.623 4.340 -0.000 0.000 0.272 254 L C 0.255 177.073 176.870 -0.086 0.000 1.197 254 L CA 0.071 54.818 54.840 -0.155 0.000 0.836 254 L CB 0.435 42.432 42.059 -0.103 0.000 1.105 254 L HN 0.235 nan 8.230 nan 0.000 0.477 255 R N 1.932 122.287 120.500 -0.241 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 -0.539 0.000 1.010 255 R CA -0.823 55.020 56.100 -0.428 0.000 0.916 255 R CB 2.304 32.276 30.300 -0.548 0.000 1.228 255 R HN 0.286 nan 8.270 nan 0.000 0.469 256 V N 0.757 120.420 119.914 -0.418 0.000 2.709 256 V HA 0.522 4.642 4.120 -0.000 0.000 0.308 256 V C -0.535 175.505 176.094 -0.090 0.000 1.062 256 V CA -0.571 61.565 62.300 -0.274 0.000 0.901 256 V CB 2.431 34.021 31.823 -0.390 0.000 1.003 256 V HN 0.770 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 0.688 5.038 4.350 -0.000 0.000 0.287 257 T C -0.908 173.801 174.700 0.016 0.000 1.003 257 T CA -0.463 61.683 62.100 0.076 0.000 0.977 257 T CB 1.904 70.874 68.868 0.170 0.000 0.996 257 T HN 0.362 nan 8.240 nan 0.000 0.448 258 V N 3.214 123.122 119.914 -0.010 0.000 2.531 258 V HA 0.704 4.824 4.120 -0.000 0.000 0.301 258 V C -0.422 175.662 176.094 -0.016 0.000 1.034 258 V CA -0.814 61.478 62.300 -0.014 0.000 0.865 258 V CB 1.900 33.705 31.823 -0.029 0.000 0.995 258 V HN 1.069 nan 8.190 nan 0.000 0.424 259 S N 5.096 120.806 115.700 0.016 0.000 2.536 259 S HA 0.864 5.334 4.470 -0.000 0.000 0.287 259 S C -1.090 173.492 174.600 -0.029 0.000 1.101 259 S CA -0.754 57.410 58.200 -0.060 0.000 0.950 259 S CB 2.369 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 2.077 123.176 121.223 -0.207 0.000 2.356 260 L HA 0.779 5.119 4.340 -0.000 0.000 0.277 260 L C -2.032 174.717 176.870 -0.202 0.000 0.996 260 L CA -0.305 54.511 54.840 -0.041 0.000 0.822 260 L CB 0.844 42.899 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 0.569 5.229 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 1.588 31.088 29.460 0.067 0.000 1.416 261 W HN 0.460 nan 8.180 nan 0.000 0.505 262 Q N 2.477 122.495 119.800 0.364 0.000 2.626 262 Q HA 0.490 4.830 4.340 -0.000 0.000 0.239 262 Q C 0.766 176.834 176.000 0.113 0.000 1.101 262 Q CA 0.684 56.547 55.803 0.100 0.000 0.918 262 Q CB 0.202 28.940 28.738 -0.001 0.000 1.151 262 Q HN 0.747 nan 8.270 nan 0.000 0.531 263 G N 2.435 111.302 108.800 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 0.695 175.658 174.900 0.105 0.000 1.310 263 G CA 0.333 45.471 45.100 0.063 0.000 0.994 263 G HN 0.515 nan 8.290 nan 0.000 0.575 264 E N 1.314 121.587 120.200 0.122 0.000 2.307 264 E HA 0.215 4.565 4.350 -0.000 0.000 0.195 264 E C 1.274 178.078 176.600 0.341 0.000 0.975 264 E CA 0.983 57.468 56.400 0.142 0.000 0.878 264 E CB -0.056 29.688 29.700 0.073 0.000 0.845 264 E HN 0.524 nan 8.360 nan 0.000 0.488 265 T N 1.625 116.358 114.554 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 -0.159 0.000 2.296 266 Q HA 0.298 4.638 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 -0.486 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 0.297 4.417 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 1.138 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 1.795 20.729 19.000 -0.110 0.000 1.278 268 A HN 0.008 nan 8.150 nan 0.000 0.412 269 S N -1.174 114.440 115.700 -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 1.338 110.105 108.800 -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 -1.485 173.396 174.900 -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 0.048 114.587 114.554 -0.026 0.000 2.876 271 T HA 0.885 5.235 4.350 -0.000 0.000 0.289 271 T C -0.161 174.508 174.700 -0.051 0.000 1.014 271 T CA 0.127 62.220 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 3.596 126.354 122.820 -0.103 0.000 2.566 272 A HA 0.900 5.220 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 1.247 20.165 19.000 -0.137 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 -0.710 176.475 177.300 -0.191 0.000 1.279 273 P CA -0.450 62.559 63.100 -0.151 0.000 0.867 273 P CB 0.486 32.160 31.700 -0.044 0.000 1.127 274 F N 0.773 120.674 119.950 -0.082 0.000 2.539 274 F HA 0.406 4.933 4.527 -0.000 0.000 0.340 274 F C 1.586 177.365 175.800 -0.037 0.000 1.185 274 F CA 1.889 59.852 58.000 -0.062 0.000 1.333 274 F CB -0.086 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 1.343 110.263 108.800 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 -0.433 174.513 174.900 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 4.634 3.960 -0.000 0.000 0.281 276 G HA3 0.675 4.634 3.960 -0.000 0.000 0.281 276 G C 0.164 175.099 174.900 0.059 0.000 1.236 276 G CA -0.394 44.760 45.100 0.090 0.000 0.969 276 G HN 0.843 nan 8.290 nan 0.000 0.504 277 E N -0.942 119.290 120.200 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 0.818 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 2.477 123.054 120.570 0.013 0.000 2.683 278 I HA -0.081 4.089 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 61.907 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 1.755 122.321 120.570 -0.006 0.000 3.883 279 I HA 0.315 4.485 4.170 -0.000 0.000 0.305 279 I C -0.259 175.855 176.117 -0.006 0.000 1.247 279 I CA 0.316 61.622 61.300 0.011 0.000 1.350 279 I CB 0.387 38.416 38.000 0.049 0.000 1.194 279 I HN 0.636 nan 8.210 nan 0.000 0.441 280 D N -0.014 120.370 120.400 -0.027 0.000 2.921 280 D HA 0.180 4.820 4.640 -0.000 0.000 0.329 280 D C 0.274 176.556 176.300 -0.029 0.000 1.293 280 D CA -0.455 53.531 54.000 -0.023 0.000 0.964 280 D CB 0.615 41.401 40.800 -0.023 0.000 1.435 280 D HN -0.156 nan 8.370 nan 0.000 0.548 281 E N -0.881 119.304 120.200 -0.024 0.000 2.267 281 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 281 E C 1.450 178.031 176.600 -0.032 0.000 0.998 281 E CA 1.008 57.394 56.400 -0.023 0.000 0.830 281 E CB -0.051 29.638 29.700 -0.018 0.000 0.751 281 E HN 0.246 nan 8.360 nan 0.000 0.491 282 R N -0.498 119.974 120.500 -0.046 0.000 2.300 282 R HA 0.252 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 56.726 56.100 -0.056 0.000 1.046 282 R CB 0.798 31.060 30.300 -0.064 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.488 108.269 108.800 -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 -0.102 0.000 1.269 283 G CA -0.651 44.405 45.100 -0.073 0.000 1.170 283 G HN 0.380 nan 8.290 nan 0.000 0.511 284 G N -1.828 106.907 108.800 -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 -1.536 173.238 174.900 -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 0.189 58.304 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 1.893 124.793 122.820 0.133 0.000 2.016 286 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 286 A C 1.241 178.904 177.584 0.132 0.000 1.162 286 A CA 1.269 53.366 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 -0.318 120.157 120.400 0.126 0.000 2.561 287 D HA 0.160 4.800 4.640 -0.000 0.000 0.232 287 D C 0.326 176.758 176.300 0.220 0.000 1.198 287 D CA -0.110 53.900 54.000 0.016 0.000 0.826 287 D CB -0.136 40.623 40.800 -0.067 0.000 0.992 287 D HN 0.430 nan 8.370 nan 0.000 0.490 288 R N -1.043 119.695 120.500 0.396 0.000 2.781 288 R HA 0.754 5.094 4.340 -0.000 0.000 0.269 288 R C -1.600 174.825 176.300 0.209 0.000 1.025 288 R CA -1.228 55.063 56.100 0.318 0.000 0.914 288 R CB 2.741 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 0.163 120.075 119.914 -0.003 0.000 3.000 289 V HA 0.497 4.617 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 -0.246 61.975 62.300 -0.132 0.000 0.972 289 V CB 2.683 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 1.169 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 3.060 124.243 121.223 -0.066 0.000 2.330 291 L HA 0.640 4.979 4.340 -0.000 0.000 0.271 291 L C 0.409 177.251 176.870 -0.046 0.000 1.013 291 L CA -0.736 54.067 54.840 -0.061 0.000 0.816 291 L CB 1.440 43.458 42.059 -0.068 0.000 1.287 291 L HN 0.372 nan 8.230 nan 0.000 0.435 292 R N 3.227 123.700 120.500 -0.045 0.000 2.435 292 R HA 0.608 4.948 4.340 -0.000 0.000 0.308 292 R C -1.529 174.745 176.300 -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 31.601 30.300 -0.041 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.827 124.026 121.223 -0.041 0.000 2.307 293 L HA 0.459 4.798 4.340 -0.000 0.000 0.284 293 L C -0.024 176.820 176.870 -0.043 0.000 1.023 293 L CA -1.085 53.729 54.840 -0.043 0.000 0.810 293 L CB 1.328 43.362 42.059 -0.041 0.000 1.231 293 L HN 0.424 nan 8.230 nan 0.000 0.423 294 N N 2.353 121.022 118.700 -0.053 0.000 2.479 294 N HA 0.445 5.184 4.740 -0.000 0.000 0.285 294 N C -0.864 174.599 175.510 -0.078 0.000 1.075 294 N CA -0.308 52.705 53.050 -0.061 0.000 0.967 294 N CB 2.768 41.221 38.487 -0.056 0.000 1.137 294 N HN 0.221 nan 8.380 nan 0.000 0.472 295 V N 1.860 121.710 119.914 -0.107 0.000 2.525 295 V HA 0.218 4.338 4.120 -0.000 0.000 0.299 295 V C -0.098 175.909 176.094 -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 33.731 31.823 -0.323 0.000 0.999 295 V HN 0.510 nan 8.190 nan 0.000 0.423 296 E N 3.671 123.812 120.200 -0.099 0.000 2.231 296 E HA 0.331 4.681 4.350 -0.000 0.000 0.277 296 E C -0.153 176.415 176.600 -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 0.668 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 -0.116 4.624 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 0.285 63.269 63.100 -0.194 0.000 0.785 298 P CB 0.821 32.153 31.700 -0.613 0.000 0.923 299 K N 1.536 122.042 120.400 0.176 0.000 2.234 299 K HA 0.379 4.699 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 -0.506 55.892 56.287 0.185 0.000 0.888 299 K CB 0.433 33.018 32.500 0.141 0.000 1.091 299 K HN 0.386 nan 8.250 nan 0.000 0.467 300 L N 2.570 123.882 121.223 0.148 0.000 2.395 300 L HA 0.297 4.636 4.340 -0.000 0.000 0.269 300 L C -0.077 176.872 176.870 0.132 0.000 1.133 300 L CA -0.690 54.238 54.840 0.146 0.000 0.812 300 L CB 0.400 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 3.188 124.513 121.300 0.041 0.000 2.376 301 W HA 0.478 5.138 4.660 -0.000 0.000 0.322 301 W C 0.086 176.542 176.519 -0.105 0.000 1.160 301 W CA 0.112 57.460 57.345 0.005 0.000 1.218 301 W CB 1.358 30.866 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 -0.005 173.828 174.600 -1.277 0.000 1.161 302 S CA -0.336 57.363 58.200 -0.835 0.000 0.817 302 S CB 1.092 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 0.392 122.645 122.820 -0.946 0.000 2.066 303 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 303 A C 1.700 178.969 177.584 -0.526 0.000 1.157 303 A CA 1.243 52.717 52.037 -0.937 0.000 0.670 303 A CB -0.849 17.473 19.000 -1.130 0.000 0.804 303 A HN 0.869 nan 8.150 nan 0.000 0.453 304 E N -0.776 119.242 120.200 -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 0.076 29.795 29.700 0.032 0.000 0.762 304 E HN 0.590 nan 8.360 nan 0.000 0.460 305 I N 1.416 121.808 120.570 -0.298 0.000 2.576 305 I HA 0.146 4.316 4.170 -0.000 0.000 0.279 305 I C -2.602 173.277 176.117 -0.398 0.000 1.114 305 I CA -1.865 59.283 61.300 -0.254 0.000 1.076 305 I CB 2.204 40.105 38.000 -0.165 0.000 1.212 305 I HN -0.235 nan 8.210 nan 0.000 0.472 306 P HA 0.082 nan 4.420 nan 0.000 0.226 306 P C -0.584 176.703 177.300 -0.022 0.000 1.783 306 P CA -0.161 62.645 63.100 -0.491 0.000 0.980 306 P CB -0.351 31.240 31.700 -0.180 0.000 1.967 307 N N 1.884 120.595 118.700 0.018 0.000 2.468 307 N HA 0.121 4.861 4.740 -0.000 0.000 0.265 307 N C 0.133 175.869 175.510 0.376 0.000 1.199 307 N CA 0.356 53.494 53.050 0.147 0.000 0.928 307 N CB 0.844 39.403 38.487 0.121 0.000 1.059 307 N HN 0.273 nan 8.380 nan 0.000 0.467 308 L N 2.236 123.600 121.223 0.235 0.000 2.323 308 L HA 0.526 4.866 4.340 -0.000 0.000 0.265 308 L C -0.803 176.155 176.870 0.146 0.000 1.012 308 L CA -0.890 54.116 54.840 0.277 0.000 0.820 308 L CB 1.153 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 -0.080 120.347 120.300 0.211 0.000 2.602 309 Y HA 0.576 5.126 4.550 -0.000 0.000 0.342 309 Y C -0.325 175.683 175.900 0.179 0.000 1.029 309 Y CA -0.828 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 0.395 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 -0.617 55.652 56.100 0.283 0.000 0.862 310 R CB 1.043 31.428 30.300 0.141 0.000 1.144 310 R HN 0.793 nan 8.270 nan 0.000 0.447 311 A N 3.757 126.716 122.820 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 -0.644 51.520 52.037 0.212 0.000 0.768 311 A CB 1.594 20.690 19.000 0.159 0.000 1.213 311 A HN 0.459 nan 8.150 nan 0.000 0.456 312 V N 2.383 122.387 119.914 0.149 0.000 2.540 312 V HA 0.525 4.645 4.120 -0.000 0.000 0.302 312 V C -0.449 175.642 176.094 -0.005 0.000 1.035 312 V CA -0.639 61.691 62.300 0.049 0.000 0.873 312 V CB 1.583 33.452 31.823 0.076 0.000 0.992 312 V HN 0.621 nan 8.190 nan 0.000 0.428 313 V N 4.721 124.571 119.914 -0.106 0.000 2.350 313 V HA 0.465 4.585 4.120 -0.000 0.000 0.285 313 V C -0.174 175.873 176.094 -0.079 0.000 1.014 313 V CA -0.545 61.667 62.300 -0.147 0.000 0.831 313 V CB 1.333 32.932 31.823 -0.374 0.000 1.000 313 V HN 1.028 nan 8.190 nan 0.000 0.433 314 E N 5.014 125.213 120.200 -0.000 0.000 2.176 314 E HA 0.563 4.913 4.350 -0.000 0.000 0.267 314 E C -1.118 175.565 176.600 0.138 0.000 0.893 314 E CA -1.063 55.381 56.400 0.074 0.000 0.761 314 E CB 2.810 32.572 29.700 0.104 0.000 1.133 314 E HN 0.417 nan 8.360 nan 0.000 0.409 315 L N 5.303 126.581 121.223 0.091 0.000 2.261 315 L HA 0.271 4.611 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 0.152 55.028 54.840 0.061 0.000 0.816 315 L CB -0.125 41.951 42.059 0.028 0.000 1.191 315 L HN 0.686 nan 8.230 nan 0.000 0.431 316 H N 1.243 120.340 119.070 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 55.725 56.048 0.057 0.000 1.144 316 H CB 1.033 30.819 29.762 0.041 0.000 1.866 316 H HN 0.488 nan 8.280 nan 0.000 0.545 317 T N -2.620 112.091 114.554 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 0.300 0.000 0.998 317 T CA -0.227 62.038 62.100 0.274 0.000 1.019 317 T CB 1.461 70.524 68.868 0.325 0.000 1.061 317 T HN 0.774 nan 8.240 nan 0.000 0.518 318 A N 1.193 124.161 122.820 0.246 0.000 1.978 318 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 318 A C 2.048 179.729 177.584 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 18.025 19.000 0.159 0.000 0.810 318 A HN 0.999 nan 8.150 nan 0.000 0.448 319 D N -1.905 118.575 120.400 0.134 0.000 2.178 319 D HA 0.068 4.708 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 1.390 55.437 54.000 0.079 0.000 0.842 319 D CB -0.315 40.509 40.800 0.040 0.000 0.948 319 D HN 0.842 nan 8.370 nan 0.000 0.472 320 G N -0.073 108.800 108.800 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 0.035 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 2.044 116.653 114.554 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 70.008 68.868 0.076 0.000 0.881 321 T HN 0.399 nan 8.240 nan 0.000 0.532 322 L N 5.018 126.291 121.223 0.084 0.000 2.360 322 L HA 0.205 4.545 4.340 -0.000 0.000 0.276 322 L C 0.695 177.622 176.870 0.095 0.000 1.121 322 L CA -0.353 54.549 54.840 0.104 0.000 0.845 322 L CB 0.439 42.532 42.059 0.056 0.000 1.143 322 L HN 0.641 nan 8.230 nan 0.000 0.452 323 I N 3.488 124.119 120.570 0.102 0.000 2.339 323 I HA 0.028 4.198 4.170 -0.000 0.000 0.245 323 I C 0.610 176.741 176.117 0.023 0.000 1.096 323 I CA 0.851 62.184 61.300 0.055 0.000 1.408 323 I CB 0.009 38.033 38.000 0.039 0.000 1.092 323 I HN 0.751 nan 8.210 nan 0.000 0.423 324 E N -0.413 119.803 120.200 0.026 0.000 2.409 324 E HA 0.708 5.058 4.350 -0.000 0.000 0.280 324 E C -1.626 174.994 176.600 0.034 0.000 1.079 324 E CA -1.117 55.291 56.400 0.013 0.000 0.840 324 E CB 1.370 31.035 29.700 -0.059 0.000 1.309 324 E HN -0.048 nan 8.360 nan 0.000 0.447 325 A N 1.327 124.196 122.820 0.080 0.000 2.475 325 A HA 0.723 5.043 4.320 -0.000 0.000 0.301 325 A C -1.124 176.579 177.584 0.199 0.000 1.059 325 A CA -0.704 51.392 52.037 0.098 0.000 0.710 325 A CB 1.811 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 -0.378 119.874 120.200 0.088 0.000 2.392 326 E HA 0.792 5.141 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 -0.611 55.901 56.400 0.187 0.000 0.784 326 E CB 2.501 32.222 29.700 0.035 0.000 1.292 326 E HN 1.123 nan 8.360 nan 0.000 0.447 327 A N 0.090 123.067 122.820 0.262 0.000 2.588 327 A HA 0.843 5.163 4.320 -0.000 0.000 0.290 327 A C -1.129 176.642 177.584 0.311 0.000 1.136 327 A CA -0.380 51.737 52.037 0.134 0.000 0.681 327 A CB 1.098 20.066 19.000 -0.054 0.000 1.282 327 A HN 0.921 nan 8.150 nan 0.000 0.421 328 C N -0.878 118.566 119.300 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 -1.010 58.143 59.018 0.225 0.000 1.232 328 C CB 0.944 28.835 27.740 0.251 0.000 1.517 328 C HN 0.808 nan 8.230 nan 0.000 0.470 329 D N 1.060 121.525 120.400 0.109 0.000 2.256 329 D HA 0.567 5.207 4.640 -0.000 0.000 0.250 329 D C -0.424 175.913 176.300 0.062 0.000 1.093 329 D CA 0.120 54.184 54.000 0.107 0.000 0.882 329 D CB 2.026 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 1.061 121.037 119.914 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 2.114 33.919 31.823 -0.032 0.000 0.995 330 V HN 0.633 nan 8.190 nan 0.000 0.429 331 G N 2.839 111.571 108.800 -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 -1.173 173.731 174.900 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 2.231 122.344 119.950 0.271 0.000 2.404 332 F HA 0.507 5.034 4.527 -0.000 0.000 0.359 332 F C 1.008 177.034 175.800 0.378 0.000 1.134 332 F CA -0.231 57.978 58.000 0.347 0.000 1.160 332 F CB 0.944 40.168 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 0.551 4.891 4.340 -0.000 0.000 0.270 333 R C -1.603 174.820 176.300 0.205 0.000 1.021 333 R CA -1.142 55.079 56.100 0.201 0.000 0.889 333 R CB 1.796 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 -1.342 175.306 176.600 0.079 0.000 0.882 334 E CA -0.938 55.545 56.400 0.139 0.000 0.759 334 E CB 2.149 31.968 29.700 0.199 0.000 1.148 334 E HN 0.415 nan 8.360 nan 0.000 0.412 335 V N 5.590 125.552 119.914 0.081 0.000 2.384 335 V HA 0.578 4.698 4.120 -0.000 0.000 0.287 335 V C -0.146 175.977 176.094 0.049 0.000 1.020 335 V CA -0.545 61.779 62.300 0.040 0.000 0.850 335 V CB 1.220 33.049 31.823 0.010 0.000 0.987 335 V HN 0.726 nan 8.190 nan 0.000 0.436 336 R N 4.341 124.867 120.500 0.044 0.000 2.710 336 R HA 0.708 5.048 4.340 -0.000 0.000 0.270 336 R C -2.012 174.308 176.300 0.033 0.000 1.021 336 R CA -0.939 55.190 56.100 0.047 0.000 0.889 336 R CB 1.858 32.198 30.300 0.067 0.000 1.243 336 R HN 0.501 nan 8.270 nan 0.000 0.464 337 I N 1.498 122.088 120.570 0.033 0.000 2.339 337 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 337 I C -0.643 175.492 176.117 0.029 0.000 0.994 337 I CA -0.381 60.934 61.300 0.025 0.000 1.191 337 I CB 1.736 39.752 38.000 0.027 0.000 1.343 337 I HN 0.717 nan 8.210 nan 0.000 0.458 338 E N 6.509 126.724 120.200 0.024 0.000 2.278 338 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 338 E C -0.312 176.299 176.600 0.018 0.000 0.890 338 E CA -0.565 55.850 56.400 0.026 0.000 0.770 338 E CB 1.037 30.757 29.700 0.033 0.000 1.212 338 E HN 0.536 nan 8.360 nan 0.000 0.415 339 N N 3.363 122.073 118.700 0.017 0.000 2.735 339 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 339 N C 0.480 175.995 175.510 0.007 0.000 1.083 339 N CA 2.137 55.194 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 -2.247 106.557 108.800 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 45.621 45.100 0.000 0.000 0.641 340 G HN 0.478 nan 8.290 nan 0.000 0.530 341 L N -0.053 121.165 121.223 -0.007 0.000 2.354 341 L HA 0.749 5.089 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 1.950 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 3.685 124.886 121.223 -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 0.337 55.155 54.840 -0.036 0.000 0.809 342 L CB 0.474 42.499 42.059 -0.057 0.000 1.179 342 L HN 0.389 nan 8.230 nan 0.000 0.429 343 L N 5.663 126.878 121.223 -0.015 0.000 2.342 343 L HA 0.587 4.927 4.340 -0.000 0.000 0.271 343 L C -0.907 175.964 176.870 0.002 0.000 1.008 343 L CA -0.859 53.979 54.840 -0.002 0.000 0.818 343 L CB 2.018 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 2.976 124.211 121.223 0.019 0.000 2.376 344 L HA 0.495 4.834 4.340 -0.000 0.000 0.275 344 L C -0.275 176.620 176.870 0.041 0.000 0.987 344 L CA -0.092 54.767 54.840 0.030 0.000 0.828 344 L CB 1.032 43.114 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 -1.221 36.816 38.487 -0.750 0.000 0.993 345 N HN 1.185 nan 8.380 nan 0.000 0.547 346 G N -1.954 106.844 108.800 -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 -0.092 174.856 174.900 0.080 0.000 0.990 346 G CA 0.781 45.960 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 -3.033 173.553 176.600 -0.024 0.000 0.944 347 K CA -2.089 54.192 56.287 -0.009 0.000 0.829 347 K CB 2.682 35.108 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 -0.178 177.068 177.300 -0.089 0.000 1.262 348 P CA -0.213 62.850 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 2.475 349 L HA 0.387 4.727 4.340 -0.000 0.000 0.253 349 L C 0.511 177.305 176.870 -0.126 0.000 1.198 349 L CA -0.677 54.093 54.840 -0.117 0.000 0.814 349 L CB 0.325 42.277 42.059 -0.179 0.000 1.134 349 L HN 0.235 nan 8.230 nan 0.000 0.478 350 L N 2.489 123.651 121.223 -0.101 0.000 2.471 350 L HA 0.424 4.764 4.340 -0.000 0.000 0.263 350 L C -0.692 176.129 176.870 -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 43.011 42.059 -0.069 0.000 1.203 350 L HN 0.229 nan 8.230 nan 0.000 0.429 351 I N 4.681 125.138 120.570 -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 -0.027 61.170 61.300 -0.172 0.000 1.351 351 I CB 0.636 38.416 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 0.502 176.887 176.300 0.141 0.000 1.370 352 R CA -0.239 55.911 56.100 0.085 0.000 1.482 352 R CB 0.853 31.051 30.300 -0.171 0.000 1.220 352 R HN 0.782 nan 8.270 nan 0.000 0.622 353 G N 0.060 108.901 108.800 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 44.663 45.100 0.104 0.000 0.976 353 G HN 0.242 nan 8.290 nan 0.000 0.487 354 V N 0.031 120.224 119.914 0.465 0.000 2.971 354 V HA 0.481 4.601 4.120 -0.000 0.000 0.309 354 V C -1.143 175.090 176.094 0.231 0.000 1.130 354 V CA -1.204 61.259 62.300 0.271 0.000 0.964 354 V CB 2.210 33.917 31.823 -0.194 0.000 1.029 354 V HN 0.761 nan 8.190 nan 0.000 0.427 355 N N 4.378 123.145 118.700 0.112 0.000 2.499 355 N HA 0.474 5.214 4.740 -0.000 0.000 0.281 355 N C -0.793 174.530 175.510 -0.311 0.000 1.098 355 N CA -0.360 52.632 53.050 -0.096 0.000 0.979 355 N CB 1.658 40.099 38.487 -0.077 0.000 1.121 355 N HN 0.633 nan 8.380 nan 0.000 0.466 356 R N 2.025 122.310 120.500 -0.357 0.000 2.514 356 R HA 0.236 4.576 4.340 -0.000 0.000 0.296 356 R C -0.990 175.082 176.300 -0.380 0.000 1.012 356 R CA -0.550 55.350 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 2.049 120.971 119.070 -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 -0.020 0.000 1.212 357 H CA -0.086 55.902 56.048 -0.101 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 1.595 121.982 120.200 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 56.512 56.400 0.170 0.000 0.878 358 E CB 0.163 29.967 29.700 0.173 0.000 1.070 358 E HN 0.382 nan 8.360 nan 0.000 0.399 359 H N 1.516 120.629 119.070 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 -0.683 55.403 56.048 0.063 0.000 1.208 359 H CB 1.088 30.875 29.762 0.043 0.000 1.727 359 H HN 0.365 nan 8.280 nan 0.000 0.534 360 H N 6.272 124.991 119.070 -0.585 0.000 2.744 360 H HA 0.195 4.751 4.556 -0.000 0.000 0.339 360 H C -2.194 172.729 175.328 -0.675 0.000 1.004 360 H CA -2.395 53.386 56.048 -0.446 0.000 1.257 360 H CB 2.502 32.136 29.762 -0.214 0.000 1.552 360 H HN 0.561 nan 8.280 nan 0.000 0.522 361 P HA -0.134 nan 4.420 nan 0.000 0.217 361 P C 1.373 178.561 177.300 -0.188 0.000 1.148 361 P CA 0.923 63.860 63.100 -0.273 0.000 0.828 361 P CB 0.827 32.408 31.700 -0.198 0.000 0.783 362 L N -1.873 119.334 121.223 -0.028 0.000 2.269 362 L HA 0.047 4.387 4.340 -0.000 0.000 0.200 362 L C 2.386 179.111 176.870 -0.242 0.000 1.069 362 L CA 0.901 55.642 54.840 -0.164 0.000 0.804 362 L CB -0.692 41.162 42.059 -0.341 0.000 0.987 362 L HN 0.009 nan 8.230 nan 0.000 0.468 363 H N -0.696 118.314 119.070 -0.099 0.000 2.539 363 H HA 0.208 4.763 4.556 -0.000 0.000 0.267 363 H C 1.390 176.597 175.328 -0.201 0.000 0.982 363 H CA 0.135 56.043 56.048 -0.234 0.000 1.146 363 H CB 0.317 29.840 29.762 -0.398 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 0.305 45.259 45.100 -0.244 0.000 0.968 364 G HN 0.462 nan 8.290 nan 0.000 0.544 365 Q N 0.050 119.776 119.800 -0.122 0.000 2.280 365 Q HA 0.451 4.791 4.340 -0.000 0.000 0.202 365 Q C 0.455 176.504 176.000 0.082 0.000 0.903 365 Q CA -0.057 55.709 55.803 -0.061 0.000 0.948 365 Q CB 0.868 29.461 28.738 -0.241 0.000 1.058 365 Q HN 0.383 nan 8.270 nan 0.000 0.493 366 V N 1.855 121.815 119.914 0.076 0.000 2.498 366 V HA 0.188 4.307 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 62.341 62.300 0.107 0.000 0.967 366 V CB 1.018 32.848 31.823 0.011 0.000 0.988 366 V HN 0.315 nan 8.190 nan 0.000 0.473 367 M N 4.364 123.998 119.600 0.057 0.000 2.598 367 M HA 0.569 5.049 4.480 -0.000 0.000 0.317 367 M C -0.598 175.637 176.300 -0.110 0.000 1.201 367 M CA -0.744 54.545 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 -1.896 118.455 120.400 -0.082 0.000 2.602 368 D HA 0.223 4.863 4.640 -0.000 0.000 0.236 368 D C 0.285 176.573 176.300 -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 -0.013 120.189 120.200 0.003 0.000 2.086 369 E HA -0.369 3.981 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 1.569 58.006 56.400 0.061 0.000 0.812 369 E CB 0.083 29.832 29.700 0.082 0.000 0.743 369 E HN 0.566 nan 8.360 nan 0.000 0.453 370 Q N -0.352 119.501 119.800 0.087 0.000 2.061 370 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 370 Q C 2.221 178.288 176.000 0.113 0.000 0.984 370 Q CA 2.290 58.152 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 0.369 nan 8.270 nan 0.000 0.421 371 T N 1.140 115.772 114.554 0.131 0.000 2.622 371 T HA -0.182 4.167 4.350 -0.000 0.000 0.266 371 T C 1.957 176.745 174.700 0.147 0.000 1.047 371 T CA 1.688 63.877 62.100 0.148 0.000 1.159 371 T CB -0.259 68.720 68.868 0.186 0.000 0.863 371 T HN 0.293 nan 8.240 nan 0.000 0.422 372 M N 0.626 120.319 119.600 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 1.542 57.007 55.300 0.274 0.000 1.096 372 M CB -0.759 32.029 32.600 0.313 0.000 1.330 372 M HN 0.115 nan 8.290 nan 0.000 0.403 373 V N -0.251 119.733 119.914 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 -0.220 119.621 119.800 0.068 0.000 2.050 374 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 374 Q C 2.031 178.110 176.000 0.133 0.000 0.980 374 Q CA 2.011 57.870 55.803 0.093 0.000 0.840 374 Q CB -0.088 28.721 28.738 0.119 0.000 0.898 374 Q HN 0.608 nan 8.270 nan 0.000 0.424 375 D N 0.374 120.877 120.400 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 1.179 55.294 54.000 0.191 0.000 0.828 375 D CB -0.274 40.630 40.800 0.173 0.000 0.963 375 D HN 0.324 nan 8.370 nan 0.000 0.450 376 I N 0.664 121.188 120.570 -0.076 0.000 2.208 376 I HA -0.254 3.915 4.170 -0.000 0.000 0.245 376 I C 2.387 178.379 176.117 -0.208 0.000 1.097 376 I CA 0.683 61.837 61.300 -0.244 0.000 1.363 376 I CB -0.144 37.600 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 4.123 4.340 -0.000 0.000 0.206 377 L C 2.594 179.536 176.870 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 -0.756 120.565 121.223 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 1.451 56.473 54.840 0.304 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 -0.639 118.981 119.600 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 31.894 32.600 -0.468 0.000 1.313 379 M HN 0.104 nan 8.290 nan 0.000 0.408 380 K N 0.106 120.483 120.400 -0.038 0.000 2.103 380 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 380 K C 1.891 178.481 176.600 -0.017 0.000 1.048 380 K CA 1.464 57.630 56.287 -0.202 0.000 0.930 380 K CB -0.288 31.902 32.500 -0.516 0.000 0.716 380 K HN 0.516 nan 8.250 nan 0.000 0.444 381 Q N 0.172 120.129 119.800 0.262 0.000 2.369 381 Q HA -0.018 4.322 4.340 -0.000 0.000 0.206 381 Q C 0.861 177.154 176.000 0.489 0.000 0.963 381 Q CA 0.573 56.650 55.803 0.456 0.000 0.894 381 Q CB 0.168 29.155 28.738 0.415 0.000 0.965 381 Q HN 0.245 nan 8.270 nan 0.000 0.475 382 N N 0.670 119.615 118.700 0.409 0.000 2.279 382 N HA 0.051 4.791 4.740 -0.000 0.000 0.226 382 N C -0.598 175.029 175.510 0.195 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 0.003 118.810 118.700 0.177 0.000 2.829 383 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 383 N C -0.847 174.561 175.510 -0.170 0.000 1.090 383 N CA 0.717 53.782 53.050 0.026 0.000 0.781 383 N CB -1.734 36.667 38.487 -0.144 0.000 1.124 383 N HN 0.229 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 0.619 119.433 118.700 0.191 0.000 2.160 385 N HA 0.436 5.176 4.740 -0.000 0.000 0.226 385 N C -0.858 174.716 175.510 0.107 0.000 1.256 385 N CA 0.017 53.121 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 0.765 5.085 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 -0.636 51.578 52.037 0.293 0.000 0.685 386 A CB 1.734 20.949 19.000 0.358 0.000 1.284 386 A HN 0.286 nan 8.150 nan 0.000 0.408 387 V N 0.786 120.949 119.914 0.415 0.000 2.971 387 V HA 0.834 4.953 4.120 -0.000 0.000 0.309 387 V C -0.880 175.357 176.094 0.238 0.000 1.130 387 V CA -0.723 61.782 62.300 0.342 0.000 0.964 387 V CB 2.002 33.933 31.823 0.181 0.000 1.029 387 V HN 1.167 nan 8.190 nan 0.000 0.427 388 R N 4.475 124.973 120.500 -0.003 0.000 2.387 388 R HA 0.493 4.833 4.340 -0.000 0.000 0.314 388 R C -0.803 175.369 176.300 -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 31.156 30.300 -0.701 0.000 1.147 388 R HN 0.833 nan 8.270 nan 0.000 0.447 389 C N 4.221 123.421 119.300 -0.167 0.000 3.329 389 C HA 0.098 4.558 4.460 -0.000 0.000 0.537 389 C C 0.539 175.256 174.990 -0.455 0.000 1.034 389 C CA -0.423 58.442 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 1.375 116.699 115.700 -0.626 0.000 2.481 390 S HA 0.155 4.625 4.470 -0.000 0.000 0.282 390 S C -0.113 173.624 174.600 -1.438 0.000 1.243 390 S CA 0.168 57.744 58.200 -1.039 0.000 1.078 390 S CB 0.078 62.607 63.200 -1.117 0.000 0.916 390 S HN 0.727 nan 8.310 nan 0.000 0.495 391 H N 3.536 121.990 119.070 -1.026 0.000 2.597 391 H HA 0.317 4.873 4.556 -0.000 0.000 0.225 391 H C -1.149 174.008 175.328 -0.284 0.000 1.422 391 H CA -0.379 55.427 56.048 -0.404 0.000 1.335 391 H CB -0.135 29.598 29.762 -0.049 0.000 1.783 391 H HN 0.889 nan 8.280 nan 0.000 0.513 392 Y N -2.751 117.646 120.300 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 55.227 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 0.175 nan 4.420 nan 0.000 0.269 393 P C -0.668 176.923 177.300 0.484 0.000 1.209 393 P CA 0.133 63.487 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 -0.043 175.694 175.510 0.378 0.000 1.236 394 N CA -0.636 52.608 53.050 0.323 0.000 0.982 394 N CB 0.409 38.864 38.487 -0.055 0.000 1.194 394 N HN 0.592 nan 8.380 nan 0.000 0.582 395 H N 1.792 120.964 119.070 0.170 0.000 3.034 395 H HA 0.014 4.570 4.556 -0.000 0.000 0.324 395 H C -1.733 173.777 175.328 0.304 0.000 1.015 395 H CA -0.794 55.361 56.048 0.178 0.000 1.429 395 H CB 1.043 30.870 29.762 0.107 0.000 1.429 395 H HN 0.395 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 0.492 0.000 1.151 396 P CA 0.877 64.186 63.100 0.348 0.000 0.849 396 P CB 0.155 31.892 31.700 0.062 0.000 0.787 397 L N -1.502 120.084 121.223 0.605 0.000 2.201 397 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 397 L C 2.257 179.340 176.870 0.354 0.000 1.105 397 L CA 1.346 56.464 54.840 0.463 0.000 0.775 397 L CB -1.282 41.058 42.059 0.470 0.000 0.913 397 L HN 0.052 nan 8.230 nan 0.000 0.440 398 W N -0.282 121.088 121.300 0.116 0.000 2.318 398 W HA -0.360 4.299 4.660 -0.000 0.000 0.313 398 W C 2.105 178.504 176.519 -0.199 0.000 1.221 398 W CA 2.084 59.351 57.345 -0.130 0.000 1.266 398 W CB -0.426 28.823 29.460 -0.352 0.000 1.150 398 W HN 0.279 nan 8.180 nan 0.000 0.496 399 Y N 0.579 120.829 120.300 -0.083 0.000 2.224 399 Y HA -0.230 4.320 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 2.105 59.932 58.100 -0.455 0.000 1.182 399 Y CB -1.333 36.581 38.460 -0.911 0.000 0.983 399 Y HN -0.198 nan 8.280 nan 0.000 0.524 400 T N 0.490 115.061 114.554 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 1.111 63.294 62.100 0.139 0.000 1.141 400 T CB -0.470 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 0.446 121.673 121.223 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 -0.755 41.284 42.059 -0.033 0.000 0.896 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 C N -0.226 118.893 119.300 -0.301 0.000 2.425 402 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 402 C C 2.398 177.423 174.990 0.059 0.000 1.280 402 C CA 0.384 59.262 59.018 -0.232 0.000 1.744 402 C CB -0.844 26.649 27.740 -0.411 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.443 120.879 120.400 0.060 0.000 2.144 403 D HA -0.101 4.538 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 -0.966 119.613 120.500 0.130 0.000 2.080 404 R HA 0.012 4.351 4.340 -0.000 0.000 0.222 404 R C 2.174 178.398 176.300 -0.126 0.000 1.107 404 R CA 0.554 56.651 56.100 -0.005 0.000 0.980 404 R CB -0.174 30.037 30.300 -0.148 0.000 0.879 404 R HN 0.266 nan 8.270 nan 0.000 0.439 405 Y N -0.154 120.159 120.300 0.021 0.000 2.395 405 Y HA 0.126 4.676 4.550 -0.000 0.000 0.293 405 Y C 1.028 176.860 175.900 -0.113 0.000 1.123 405 Y CA 0.869 58.953 58.100 -0.028 0.000 1.227 405 Y CB 0.596 39.009 38.460 -0.078 0.000 1.012 405 Y HN 0.257 nan 8.280 nan 0.000 0.552 406 G N 1.135 109.957 108.800 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 -1.098 173.631 174.900 -0.284 0.000 1.020 406 G CA -0.552 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 0.748 121.877 121.223 -0.157 0.000 2.431 407 L HA 0.528 4.868 4.340 -0.000 0.000 0.266 407 L C 0.022 176.853 176.870 -0.066 0.000 0.978 407 L CA -1.334 53.376 54.840 -0.216 0.000 0.822 407 L CB 2.000 43.959 42.059 -0.166 0.000 1.310 407 L HN 0.413 nan 8.230 nan 0.000 0.409 408 Y N 1.794 122.200 120.300 0.177 0.000 2.319 408 Y HA 0.420 4.970 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 -0.644 57.592 58.100 0.227 0.000 1.265 408 Y CB 1.372 39.951 38.460 0.198 0.000 1.218 408 Y HN 0.151 nan 8.280 nan 0.000 0.508 409 V N 3.757 123.851 119.914 0.300 0.000 2.735 409 V HA 0.384 4.504 4.120 -0.000 0.000 0.310 409 V C -0.702 175.478 176.094 0.142 0.000 1.061 409 V CA -1.039 61.386 62.300 0.208 0.000 0.913 409 V CB 2.066 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 2.596 122.569 119.914 0.099 0.000 2.347 410 V HA 0.370 4.490 4.120 -0.000 0.000 0.280 410 V C -0.447 175.690 176.094 0.071 0.000 1.021 410 V CA -0.399 61.915 62.300 0.023 0.000 0.847 410 V CB 1.554 33.309 31.823 -0.112 0.000 0.990 410 V HN 0.889 nan 8.190 nan 0.000 0.444 411 D N 3.990 124.462 120.400 0.119 0.000 2.249 411 D HA 0.332 4.972 4.640 -0.000 0.000 0.246 411 D C -0.273 176.205 176.300 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 0.695 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 0.213 0.000 0.761 412 E CB 1.356 31.133 29.700 0.127 0.000 1.156 412 E HN 0.473 nan 8.360 nan 0.000 0.412 413 A N 3.807 126.750 122.820 0.206 0.000 2.483 413 A HA 0.020 4.340 4.320 -0.000 0.000 0.238 413 A C 0.394 178.097 177.584 0.199 0.000 1.070 413 A CA -0.150 51.990 52.037 0.172 0.000 0.770 413 A CB 0.112 19.181 19.000 0.114 0.000 1.008 413 A HN 0.700 nan 8.150 nan 0.000 0.497 414 N N 1.319 120.145 118.700 0.209 0.000 3.103 414 N HA 0.226 4.965 4.740 -0.000 0.000 0.305 414 N C -0.949 174.683 175.510 0.204 0.000 1.232 414 N CA 0.228 53.433 53.050 0.258 0.000 1.190 414 N CB -0.868 37.778 38.487 0.265 0.000 1.461 414 N HN 0.477 nan 8.380 nan 0.000 0.538 415 I N 0.664 121.346 120.570 0.186 0.000 2.500 415 I HA 0.279 4.449 4.170 -0.000 0.000 0.286 415 I C -0.599 175.607 176.117 0.148 0.000 1.063 415 I CA -0.679 60.711 61.300 0.151 0.000 1.062 415 I CB 1.928 39.992 38.000 0.106 0.000 1.223 415 I HN 0.212 nan 8.210 nan 0.000 0.435 416 E N 4.272 124.556 120.200 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 1.595 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 0.757 115.361 114.554 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 1.258 120.249 119.070 -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 1.448 57.379 56.048 -0.194 0.000 1.247 418 H CB -0.283 29.333 29.762 -0.244 0.000 1.359 418 H HN 0.584 nan 8.280 nan 0.000 0.488 419 G N 0.242 108.879 108.800 -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 0.562 175.555 174.900 0.156 0.000 1.145 419 G CA -0.085 44.890 45.100 -0.209 0.000 0.791 419 G HN 0.152 nan 8.290 nan 0.000 0.530 420 M N 0.023 119.754 119.600 0.219 0.000 2.113 420 M HA 0.345 4.825 4.480 -0.000 0.000 0.288 420 M C -0.290 176.040 176.300 0.048 0.000 1.225 420 M CA -0.136 55.249 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 2.211 122.132 119.914 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 1.932 33.746 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 1.099 178.394 177.300 -0.009 0.000 1.256 422 P CA -0.552 62.538 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 0.811 120.412 119.600 0.001 0.000 2.260 423 M HA -0.205 4.274 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 1.925 57.234 55.300 0.016 0.000 1.082 423 M CB -0.380 32.222 32.600 0.004 0.000 1.388 423 M HN 0.386 nan 8.290 nan 0.000 0.419 424 N N -0.266 118.441 118.700 0.012 0.000 2.251 424 N HA -0.046 4.694 4.740 -0.000 0.000 0.217 424 N C 1.080 176.552 175.510 -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 0.353 nan 8.380 nan 0.000 0.501 425 R N 0.536 120.989 120.500 -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 57.584 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 -0.731 120.306 121.223 -0.310 0.000 2.202 426 L HA 0.025 4.365 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 1.185 55.708 54.840 -0.529 0.000 0.790 426 L CB -0.613 40.861 42.059 -0.974 0.000 0.942 426 L HN 0.363 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 1.345 63.293 62.100 -0.253 0.000 1.116 427 T CB -0.295 68.378 68.868 -0.325 0.000 0.878 427 T HN 0.111 nan 8.240 nan 0.000 0.509 428 D N 1.209 121.531 120.400 -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 -0.515 119.869 120.400 -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 -0.120 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 1.013 64.121 63.100 0.013 0.000 0.828 430 P CB 0.339 32.036 31.700 -0.005 0.000 0.783 431 R N -1.923 118.589 120.500 0.019 0.000 2.152 431 R HA -0.107 4.232 4.340 -0.000 0.000 0.232 431 R C 1.656 177.834 176.300 -0.204 0.000 1.117 431 R CA 1.257 57.299 56.100 -0.097 0.000 0.981 431 R CB -0.634 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 2.322 123.585 121.223 0.066 0.000 2.012 433 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 433 L C -0.668 176.173 176.870 -0.049 0.000 1.073 433 L CA 2.311 57.147 54.840 -0.008 0.000 0.748 433 L CB -1.688 40.353 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 1.612 178.860 177.300 -0.086 0.000 1.153 434 P CA 2.110 65.152 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 -0.694 122.089 122.820 -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 1.954 53.986 52.037 -0.009 0.000 0.620 435 A CB -1.491 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 -0.222 119.397 119.600 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 1.714 57.008 55.300 -0.010 0.000 1.110 436 M CB -0.468 32.105 32.600 -0.046 0.000 1.374 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.696 116.320 115.700 -0.127 0.000 2.365 437 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 437 S C 1.683 176.121 174.600 -0.271 0.000 1.039 437 S CA 1.547 59.609 58.200 -0.229 0.000 1.033 437 S CB -0.360 62.700 63.200 -0.233 0.000 0.887 437 S HN 0.482 nan 8.310 nan 0.000 0.447 438 E N 0.731 120.820 120.200 -0.186 0.000 2.110 438 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 438 E C 2.417 178.932 176.600 -0.141 0.000 0.988 438 E CA 0.914 57.212 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 0.262 120.707 120.500 -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 0.819 56.893 56.100 -0.043 0.000 0.975 439 R CB -0.030 30.280 30.300 0.017 0.000 0.866 439 R HN 0.007 nan 8.270 nan 0.000 0.446 440 V N 0.006 119.832 119.914 -0.148 0.000 2.374 440 V HA -0.169 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 -0.380 113.887 114.554 -0.480 0.000 2.665 441 T HA -0.293 4.057 4.350 -0.000 0.000 0.268 441 T C 1.949 176.497 174.700 -0.253 0.000 1.035 441 T CA 1.693 63.435 62.100 -0.596 0.000 1.151 441 T CB -0.472 67.901 68.868 -0.824 0.000 0.862 441 T HN 0.394 nan 8.240 nan 0.000 0.438 442 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 2.697 178.920 176.300 -0.127 0.000 1.127 442 R CA 1.551 57.563 56.100 -0.147 0.000 0.968 442 R CB -0.500 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 1.948 178.167 176.300 -0.136 0.000 1.067 443 M CA 1.661 56.917 55.300 -0.073 0.000 1.116 443 M CB 0.053 32.644 32.600 -0.015 0.000 1.348 443 M HN -0.015 nan 8.290 nan 0.000 0.407 444 V N 0.852 120.590 119.914 -0.295 0.000 2.343 444 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 444 V C 2.282 178.260 176.094 -0.194 0.000 1.051 444 V CA 2.055 64.065 62.300 -0.483 0.000 1.036 444 V CB -0.920 30.591 31.823 -0.519 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 1.707 57.446 55.803 -0.107 0.000 0.862 445 Q CB -0.171 28.524 28.738 -0.071 0.000 0.905 445 Q HN 0.534 nan 8.270 nan 0.000 0.429 446 R N 0.158 120.566 120.500 -0.153 0.000 2.100 446 R HA -0.085 4.255 4.340 -0.000 0.000 0.220 446 R C 0.559 176.778 176.300 -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 -0.144 120.235 120.400 -0.035 0.000 2.369 447 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 447 D C 1.196 177.584 176.300 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 0.417 121.010 120.500 0.155 0.000 2.357 448 R HA 0.081 4.421 4.340 -0.000 0.000 0.202 448 R C 0.872 177.148 176.300 -0.039 0.000 1.047 448 R CA 0.848 57.051 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 -0.112 nan 8.270 nan 0.000 0.473 449 N N 0.077 118.676 118.700 -0.169 0.000 2.280 449 N HA -0.009 4.731 4.740 -0.000 0.000 0.192 449 N C -0.526 174.828 175.510 -0.260 0.000 1.109 449 N CA 0.131 53.038 53.050 -0.239 0.000 0.855 449 N CB 0.145 38.434 38.487 -0.330 0.000 0.974 449 N HN 0.306 nan 8.380 nan 0.000 0.482 450 H N 1.723 120.702 119.070 -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 -1.120 54.822 56.048 -0.177 0.000 1.471 450 H CB 1.458 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 1.163 63.906 63.100 -0.594 0.000 0.817 451 P CB 0.267 31.393 31.700 -0.957 0.000 0.785 452 S N -1.240 114.092 115.700 -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 0.064 58.084 58.200 -0.299 0.000 0.942 452 S CB -1.231 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 4.387 4.120 -0.000 0.000 0.268 453 V C 1.023 176.975 176.094 -0.237 0.000 1.046 453 V CA -0.131 62.071 62.300 -0.163 0.000 0.970 453 V CB 0.546 32.175 31.823 -0.323 0.000 1.001 453 V HN 0.628 nan 8.190 nan 0.000 0.476 454 I N 2.686 123.167 120.570 -0.148 0.000 4.288 454 I HA 0.511 4.681 4.170 -0.000 0.000 0.331 454 I C 0.322 176.320 176.117 -0.197 0.000 1.322 454 I CA 0.394 61.613 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 0.066 120.499 120.570 -0.228 0.000 2.802 455 I HA 0.380 4.550 4.170 -0.000 0.000 0.298 455 I C -1.559 174.443 176.117 -0.193 0.000 1.176 455 I CA -0.432 60.768 61.300 -0.168 0.000 1.025 455 I CB 2.246 40.243 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 5.296 4.660 -0.000 0.000 0.327 456 W C 0.282 176.861 176.519 0.099 0.000 1.086 456 W CA -0.679 56.714 57.345 0.081 0.000 1.222 456 W CB 1.797 31.299 29.460 0.070 0.000 1.304 456 W HN 0.306 nan 8.180 nan 0.000 0.547 457 S N 2.635 118.563 115.700 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 0.852 64.169 63.200 0.195 0.000 1.034 457 S HN 0.581 nan 8.310 nan 0.000 0.483 458 L N 4.033 125.408 121.223 0.253 0.000 2.599 458 L HA 0.376 4.716 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 0.465 55.386 54.840 0.135 0.000 0.877 458 L CB -0.990 41.056 42.059 -0.022 0.000 1.009 458 L HN 0.977 nan 8.230 nan 0.000 0.447 459 G N -0.105 108.838 108.800 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 -1.784 173.287 174.900 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 -0.111 118.701 118.700 0.188 0.000 2.405 460 N HA 0.472 5.212 4.740 -0.000 0.000 0.274 460 N C -0.432 175.037 175.510 -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 -0.486 0.000 1.629 460 N HN 0.846 nan 8.380 nan 0.000 0.481 461 E N 0.443 120.509 120.200 -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 0.391 nan 8.360 nan 0.000 0.321 462 S N 0.054 115.819 115.700 0.108 0.000 2.843 462 S HA 0.392 4.861 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 0.598 119.787 119.070 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 0.841 30.685 29.762 0.137 0.000 1.541 464 H HN 1.140 nan 8.280 nan 0.000 0.521 465 G N 1.414 110.217 108.800 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 0.087 122.792 122.820 -0.191 0.000 2.024 466 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 466 A C 2.091 179.639 177.584 -0.060 0.000 1.164 466 A CA 1.925 53.904 52.037 -0.096 0.000 0.643 466 A CB -0.432 18.537 19.000 -0.052 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 0.259 119.286 119.070 -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 1.247 57.266 56.048 -0.050 0.000 1.334 468 H CB 0.165 29.889 29.762 -0.065 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 1.230 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 0.694 123.607 122.820 0.156 0.000 1.902 470 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 470 A C 2.402 180.093 177.584 0.180 0.000 1.181 470 A CA 1.004 53.125 52.037 0.141 0.000 0.623 470 A CB -0.728 18.313 19.000 0.070 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.443 471 L N -2.282 119.038 121.223 0.161 0.000 2.179 471 L HA -0.110 4.229 4.340 -0.000 0.000 0.208 471 L C 2.547 179.565 176.870 0.247 0.000 1.096 471 L CA 1.341 56.281 54.840 0.167 0.000 0.779 471 L CB -0.645 41.448 42.059 0.057 0.000 0.922 471 L HN 0.595 nan 8.230 nan 0.000 0.443 472 Y N 0.829 121.210 120.300 0.135 0.000 2.128 472 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 472 Y C 2.846 178.821 175.900 0.125 0.000 1.154 472 Y CA 1.474 59.653 58.100 0.132 0.000 1.149 472 Y CB -0.162 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 -0.019 120.582 120.500 0.168 0.000 2.096 473 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 473 R C 2.070 178.362 176.300 -0.013 0.000 1.127 473 R CA 1.822 57.939 56.100 0.029 0.000 0.968 473 R CB -1.584 28.822 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 -0.144 4.516 4.660 -0.000 0.000 0.309 474 W C 1.838 178.266 176.519 -0.152 0.000 1.206 474 W CA 1.570 58.858 57.345 -0.094 0.000 1.284 474 W CB -0.314 29.095 29.460 -0.084 0.000 1.145 474 W HN -0.017 nan 8.180 nan 0.000 0.502 475 I N 0.834 121.371 120.570 -0.055 0.000 2.226 475 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 475 I C 2.358 178.248 176.117 -0.379 0.000 1.100 475 I CA 1.279 62.384 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 1.336 57.448 56.287 -0.292 0.000 0.933 476 K CB -0.412 31.886 32.500 -0.338 0.000 0.721 476 K HN 0.302 nan 8.250 nan 0.000 0.447 477 S N 0.532 116.042 115.700 -0.316 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 0.623 58.646 58.200 -0.295 0.000 0.965 477 S CB -0.026 63.008 63.200 -0.276 0.000 0.812 477 S HN -0.016 nan 8.310 nan 0.000 0.482 478 V N 1.264 120.817 119.914 -0.602 0.000 2.649 478 V HA 0.065 4.185 4.120 -0.000 0.000 0.248 478 V C 0.308 176.170 176.094 -0.386 0.000 1.054 478 V CA 1.158 63.097 62.300 -0.603 0.000 1.073 478 V CB -0.122 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 -0.886 119.329 120.400 -0.309 0.000 2.364 479 D HA 0.248 4.888 4.640 -0.000 0.000 0.251 479 D C -2.169 174.118 176.300 -0.022 0.000 1.282 479 D CA -1.552 52.382 54.000 -0.110 0.000 0.927 479 D CB 1.686 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 0.346 63.434 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 -1.244 114.479 115.700 0.038 0.000 2.561 481 S HA 0.080 4.549 4.470 -0.000 0.000 0.225 481 S C 0.876 175.497 174.600 0.034 0.000 0.977 481 S CA -0.096 58.130 58.200 0.044 0.000 0.926 481 S CB -0.358 62.864 63.200 0.035 0.000 0.769 481 S HN 0.079 nan 8.310 nan 0.000 0.533 482 R N 1.010 121.542 120.500 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 0.169 nan 4.420 nan 0.000 0.274 483 P C -0.789 176.609 177.300 0.163 0.000 1.246 483 P CA -0.477 62.680 63.100 0.095 0.000 0.795 483 P CB 0.722 32.464 31.700 0.070 0.000 1.006 484 V N 1.625 121.665 119.914 0.211 0.000 2.555 484 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 484 V C 0.186 176.454 176.094 0.291 0.000 1.038 484 V CA -0.353 62.122 62.300 0.292 0.000 0.887 484 V CB 1.276 33.272 31.823 0.288 0.000 0.991 484 V HN 0.648 nan 8.190 nan 0.000 0.434 485 Q N 3.462 123.417 119.800 0.258 0.000 2.451 485 Q HA 0.800 5.140 4.340 -0.000 0.000 0.281 485 Q C -1.881 174.267 176.000 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 0.661 nan 8.270 nan 0.000 0.427 486 Y N 0.341 120.643 120.300 0.004 0.000 2.314 486 Y HA 0.139 4.689 4.550 -0.000 0.000 0.317 486 Y C -0.508 175.328 175.900 -0.106 0.000 1.234 486 Y CA -0.666 57.404 58.100 -0.049 0.000 1.111 486 Y CB 1.968 40.388 38.460 -0.066 0.000 1.283 486 Y HN 0.963 nan 8.280 nan 0.000 0.418 487 E N 3.495 123.239 120.200 -0.759 0.000 2.299 487 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 487 E C 0.712 176.856 176.600 -0.760 0.000 0.998 487 E CA 0.747 56.777 56.400 -0.616 0.000 0.851 487 E CB 0.239 29.688 29.700 -0.420 0.000 0.795 487 E HN 0.888 nan 8.360 nan 0.000 0.492 488 G N -0.187 107.741 108.800 -1.454 0.000 2.559 488 G HA2 0.223 4.182 3.960 -0.000 0.000 0.235 488 G HA3 0.223 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 0.257 44.914 45.100 -0.739 0.000 0.847 488 G HN 0.328 nan 8.290 nan 0.000 0.583 489 G N -0.642 108.106 108.800 -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 -1.679 107.105 108.800 -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 1.326 46.466 45.100 0.068 0.000 0.663 490 G HN 2.348 nan 8.290 nan 0.000 0.493 491 A N -0.184 122.614 122.820 -0.037 0.000 3.413 491 A HA -0.103 4.217 4.320 -0.000 0.000 0.268 491 A C 1.116 178.634 177.584 -0.111 0.000 1.128 491 A CA 2.661 54.626 52.037 -0.120 0.000 1.062 491 A CB -1.803 17.107 19.000 -0.150 0.000 1.121 491 A HN 2.131 nan 8.150 nan 0.000 0.895 492 D N -1.119 119.286 120.400 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 54.917 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 62.613 62.100 -0.251 0.000 0.990 493 T CB 0.695 69.191 68.868 -0.620 0.000 1.098 493 T HN 0.085 nan 8.240 nan 0.000 0.520 494 T N -2.345 112.060 114.554 -0.248 0.000 3.113 494 T HA 0.211 4.561 4.350 -0.000 0.000 0.263 494 T C 1.666 176.086 174.700 -0.466 0.000 1.143 494 T CA 0.359 62.321 62.100 -0.230 0.000 1.090 494 T CB -0.478 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 0.468 123.041 122.820 -0.413 0.000 2.379 495 A HA 0.479 4.799 4.320 -0.000 0.000 0.236 495 A C 0.930 178.302 177.584 -0.352 0.000 1.272 495 A CA -0.169 51.571 52.037 -0.496 0.000 0.886 495 A CB 0.024 19.010 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 0.393 4.743 4.350 -0.000 0.000 0.299 496 T C -0.591 174.124 174.700 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 0.267 176.595 176.300 0.047 0.000 1.015 497 D CA 0.658 54.737 54.000 0.131 0.000 0.867 497 D CB 0.394 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 0.803 121.381 120.570 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 5.433 125.891 120.570 -0.185 0.000 2.436 499 I HA 0.083 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 -0.045 61.055 61.300 -0.333 0.000 1.372 499 I CB 0.166 37.864 38.000 -0.502 0.000 1.408 499 I HN 0.653 nan 8.210 nan 0.000 0.516 500 C N 5.528 124.640 119.300 -0.314 0.000 3.414 500 C HA 0.480 4.940 4.460 -0.000 0.000 0.208 500 C C -2.223 172.622 174.990 -0.243 0.000 1.422 500 C CA -2.288 56.590 59.018 -0.234 0.000 1.437 500 C CB -0.877 26.784 27.740 -0.132 0.000 1.850 500 C HN 0.401 nan 8.230 nan 0.000 0.481 501 P HA 0.380 nan 4.420 nan 0.000 0.275 501 P C -0.465 176.766 177.300 -0.116 0.000 1.266 501 P CA 0.130 63.114 63.100 -0.192 0.000 0.793 501 P CB 0.683 32.279 31.700 -0.172 0.000 1.074 502 M N -0.431 119.127 119.600 -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 -0.301 120.145 120.300 0.243 0.000 4.569 503 Y HA -0.201 4.349 4.550 -0.000 0.000 0.237 503 Y C 0.448 176.500 175.900 0.253 0.000 1.090 503 Y CA 0.436 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 1.220 124.234 122.820 0.324 0.000 2.425 504 A HA 0.606 4.926 4.320 -0.000 0.000 0.249 504 A C 0.722 178.500 177.584 0.323 0.000 1.084 504 A CA -0.470 51.764 52.037 0.329 0.000 0.781 504 A CB 0.423 19.651 19.000 0.381 0.000 1.019 504 A HN 0.405 nan 8.150 nan 0.000 0.490 505 R N 1.372 121.999 120.500 0.211 0.000 2.546 505 R HA 0.333 4.673 4.340 -0.000 0.000 0.266 505 R C 0.953 177.224 176.300 -0.048 0.000 1.086 505 R CA -0.753 55.411 56.100 0.106 0.000 1.160 505 R CB 0.540 30.874 30.300 0.057 0.000 1.138 505 R HN 0.469 nan 8.270 nan 0.000 0.567 506 V N 0.630 120.369 119.914 -0.293 0.000 2.283 506 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 506 V C 0.929 176.907 176.094 -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 -1.586 118.732 120.400 -0.136 0.000 2.479 507 D HA 0.156 4.795 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 1.223 121.409 120.200 -0.024 0.000 2.242 508 E HA 0.222 4.572 4.350 -0.000 0.000 0.275 508 E C -0.804 175.796 176.600 0.001 0.000 1.002 508 E CA -0.581 55.813 56.400 -0.010 0.000 0.841 508 E CB 1.499 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 1.961 122.358 120.400 -0.005 0.000 2.193 509 D HA 0.174 4.814 4.640 -0.000 0.000 0.249 509 D C -0.645 175.554 176.300 -0.169 0.000 1.034 509 D CA -0.163 53.827 54.000 -0.017 0.000 0.902 509 D CB 1.182 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 1.692 121.278 119.800 -0.357 0.000 2.616 510 Q HA 0.275 4.615 4.340 -0.000 0.000 0.250 510 Q C -2.313 173.041 176.000 -1.078 0.000 0.991 510 Q CA -1.607 53.790 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 0.083 nan 4.420 nan 0.000 0.214 511 P C -0.773 176.205 177.300 -0.537 0.000 1.826 511 P CA -0.168 62.516 63.100 -0.694 0.000 0.977 511 P CB -0.523 30.966 31.700 -0.352 0.000 1.930 512 F N 2.612 122.415 119.950 -0.244 0.000 2.459 512 F HA 0.242 4.769 4.527 -0.000 0.000 0.346 512 F C -1.168 174.527 175.800 -0.176 0.000 1.128 512 F CA -2.565 55.336 58.000 -0.166 0.000 1.268 512 F CB -0.348 38.568 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 63.976 63.100 0.029 0.000 0.768 513 P CB 1.176 32.893 31.700 0.029 0.000 0.842 514 A N 3.008 125.830 122.820 0.004 0.000 2.617 514 A HA -0.253 4.067 4.320 -0.000 0.000 0.236 514 A C 0.723 178.307 177.584 -0.001 0.000 0.514 514 A CA 2.090 54.132 52.037 0.008 0.000 1.126 514 A CB -2.700 16.308 19.000 0.013 0.000 1.393 514 A HN 0.717 nan 8.150 nan 0.000 0.693 515 V N -3.222 116.692 119.914 -0.000 0.000 2.502 515 V HA 0.566 4.686 4.120 -0.000 0.000 0.261 515 V C -2.431 173.660 176.094 -0.004 0.000 0.996 515 V CA -1.205 61.094 62.300 -0.002 0.000 1.095 515 V CB 0.749 32.578 31.823 0.011 0.000 1.325 515 V HN 0.479 nan 8.190 nan 0.000 0.574 516 P HA 0.350 nan 4.420 nan 0.000 0.274 516 P C -0.754 176.099 177.300 -0.745 0.000 1.246 516 P CA -0.020 62.717 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 1.654 121.624 120.400 -0.716 0.000 2.521 517 K HA 0.252 4.572 4.320 -0.000 0.000 0.248 517 K C -0.528 175.753 176.600 -0.532 0.000 0.978 517 K CA -0.282 55.747 56.287 -0.430 0.000 0.947 517 K CB 0.717 33.265 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 1.302 177.814 176.519 -0.012 0.000 1.279 518 W CA -0.685 56.450 57.345 -0.349 0.000 1.306 518 W CB 0.556 29.632 29.460 -0.640 0.000 1.140 518 W HN 0.409 nan 8.180 nan 0.000 0.613 519 S N 3.076 118.929 115.700 0.255 0.000 2.552 519 S HA -0.071 4.399 4.470 -0.000 0.000 0.289 519 S C 1.149 175.887 174.600 0.229 0.000 1.304 519 S CA -0.292 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 2.348 123.022 120.570 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 1.147 62.551 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 -0.039 0.000 1.052 521 K CA 1.522 57.652 56.287 -0.261 0.000 0.948 521 K CB -0.281 31.969 32.500 -0.418 0.000 0.728 521 K HN 0.451 nan 8.250 nan 0.000 0.448 522 K N 0.588 120.992 120.400 0.006 0.000 2.167 522 K HA -0.133 4.186 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 0.509 56.783 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 -0.175 4.485 4.660 -0.000 0.000 0.297 523 W C 1.453 177.935 176.519 -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 0.767 122.140 121.223 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 1.771 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 -0.929 114.806 115.700 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 -0.464 57.743 58.200 0.011 0.000 0.911 525 S CB -0.431 62.771 63.200 0.003 0.000 0.780 525 S HN 0.187 nan 8.310 nan 0.000 0.514 526 L N 2.147 123.335 121.223 -0.060 0.000 2.506 526 L HA 0.240 4.580 4.340 -0.000 0.000 0.281 526 L C -2.236 174.601 176.870 -0.056 0.000 1.228 526 L CA -1.726 53.040 54.840 -0.124 0.000 0.850 526 L CB -0.433 41.516 42.059 -0.184 0.000 1.110 526 L HN 0.039 nan 8.230 nan 0.000 0.496 527 P HA -0.001 nan 4.420 nan 0.000 0.260 527 P C 0.796 178.087 177.300 -0.015 0.000 1.185 527 P CA 0.918 63.993 63.100 -0.040 0.000 0.763 527 P CB 0.568 32.239 31.700 -0.048 0.000 0.776 528 G N 1.984 110.782 108.800 -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 -0.000 45.105 45.100 0.009 0.000 0.632 528 G HN 0.605 nan 8.290 nan 0.000 0.529 529 E N 1.135 121.354 120.200 0.031 0.000 2.338 529 E HA 0.588 4.938 4.350 -0.000 0.000 0.272 529 E C 1.377 177.999 176.600 0.037 0.000 1.029 529 E CA 0.639 57.070 56.400 0.051 0.000 0.872 529 E CB 0.837 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 0.627 115.199 114.554 0.030 0.000 3.087 530 T HA 0.332 4.682 4.350 -0.000 0.000 0.283 530 T C 0.602 175.309 174.700 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 0.244 nan 8.240 nan 0.000 0.532 531 R N 2.168 122.671 120.500 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 54.357 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 0.229 nan 8.270 nan 0.000 0.528 532 P HA 0.136 nan 4.420 nan 0.000 0.276 532 P C -1.118 176.111 177.300 -0.119 0.000 1.252 532 P CA -0.229 62.828 63.100 -0.072 0.000 0.802 532 P CB 0.660 32.318 31.700 -0.070 0.000 1.035 533 L N 2.055 123.188 121.223 -0.150 0.000 2.376 533 L HA 0.583 4.923 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 54.147 54.840 -0.213 0.000 0.828 533 L CB 0.639 42.562 42.059 -0.225 0.000 1.249 533 L HN 0.222 nan 8.230 nan 0.000 0.409 534 I N 5.746 126.183 120.570 -0.221 0.000 2.500 534 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 534 I C -0.789 175.235 176.117 -0.154 0.000 1.063 534 I CA -0.556 60.606 61.300 -0.229 0.000 1.062 534 I CB 2.039 39.959 38.000 -0.134 0.000 1.223 534 I HN 0.482 nan 8.210 nan 0.000 0.435 535 L N 5.668 126.773 121.223 -0.198 0.000 2.410 535 L HA 0.051 4.391 4.340 -0.000 0.000 0.273 535 L C 1.502 178.441 176.870 0.115 0.000 1.144 535 L CA -0.183 54.602 54.840 -0.092 0.000 0.863 535 L CB 0.732 42.705 42.059 -0.143 0.000 1.140 535 L HN 0.870 nan 8.230 nan 0.000 0.463 536 C N 0.604 119.949 119.300 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 -0.080 59.014 59.018 0.128 0.000 1.763 536 C CB -0.985 26.742 27.740 -0.021 0.000 1.929 536 C HN 0.825 nan 8.230 nan 0.000 0.509 537 E N -0.827 119.422 120.200 0.081 0.000 2.304 537 E HA 0.607 4.957 4.350 -0.000 0.000 0.277 537 E C -1.302 175.249 176.600 -0.081 0.000 0.898 537 E CA -0.396 56.045 56.400 0.069 0.000 0.764 537 E CB 1.832 31.410 29.700 -0.202 0.000 1.216 537 E HN 0.692 nan 8.360 nan 0.000 0.419 538 Y N -0.912 119.379 120.300 -0.014 0.000 2.670 538 Y HA 0.668 5.218 4.550 -0.000 0.000 0.334 538 Y C -0.593 175.475 175.900 0.279 0.000 1.185 538 Y CA -0.997 57.105 58.100 0.004 0.000 1.053 538 Y CB 1.025 39.367 38.460 -0.197 0.000 1.298 538 Y HN 0.653 nan 8.280 nan 0.000 0.459 539 A N 1.930 124.810 122.820 0.101 0.000 2.303 539 A HA -0.270 4.050 4.320 -0.000 0.000 0.286 539 A C -0.355 177.362 177.584 0.222 0.000 1.429 539 A CA 1.039 53.127 52.037 0.086 0.000 0.738 539 A CB -2.495 16.419 19.000 -0.144 0.000 1.149 539 A HN 1.057 nan 8.150 nan 0.000 0.364 540 H N 0.863 120.086 119.070 0.255 0.000 3.226 540 H HA 0.224 4.780 4.556 -0.000 0.000 0.260 540 H C 1.227 176.624 175.328 0.115 0.000 0.967 540 H CA 0.794 57.002 56.048 0.267 0.000 1.435 540 H CB 0.347 30.145 29.762 0.060 0.000 1.533 540 H HN 0.816 nan 8.280 nan 0.000 0.525 541 A N 6.440 129.196 122.820 -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 -0.216 0.000 1.389 541 A CA -0.290 51.647 52.037 -0.166 0.000 1.129 541 A CB -0.671 18.212 19.000 -0.194 0.000 0.928 541 A HN 0.793 nan 8.150 nan 0.000 0.557 542 M N 1.346 120.806 119.600 -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 -0.251 0.000 1.398 542 M CA 1.238 56.405 55.300 -0.223 0.000 1.148 542 M CB -0.322 32.192 32.600 -0.142 0.000 1.663 542 M HN 0.795 nan 8.290 nan 0.000 0.464 543 G N 4.328 112.958 108.800 -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 -0.279 174.157 174.900 -0.773 0.000 1.200 543 G CA -0.045 44.732 45.100 -0.538 0.000 0.951 543 G HN 0.817 nan 8.290 nan 0.000 0.566 544 N N 1.349 119.448 118.700 -1.000 0.000 2.421 544 N HA 0.525 5.265 4.740 -0.000 0.000 0.260 544 N C -0.008 175.246 175.510 -0.426 0.000 1.173 544 N CA 1.086 53.677 53.050 -0.764 0.000 0.960 544 N CB 0.527 38.572 38.487 -0.735 0.000 1.273 544 N HN 0.791 nan 8.380 nan 0.000 0.497 545 S N 1.910 117.440 115.700 -0.283 0.000 2.998 545 S HA 0.588 5.058 4.470 -0.000 0.000 0.321 545 S C -0.194 174.333 174.600 -0.122 0.000 1.171 545 S CA -0.396 57.695 58.200 -0.182 0.000 0.882 545 S CB 0.170 63.286 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 0.051 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 -0.854 107.951 108.800 0.009 0.000 2.378 547 G HA2 0.487 4.446 3.960 -0.000 0.000 0.255 547 G HA3 0.487 4.446 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 1.585 110.440 108.800 0.092 0.000 2.175 548 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.244 548 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.244 548 G C 1.001 176.105 174.900 0.341 0.000 0.982 548 G CA 0.718 45.932 45.100 0.190 0.000 0.641 548 G HN 0.775 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 0.117 4.644 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 2.552 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 -0.126 122.852 122.820 0.263 0.000 1.972 550 A HA -0.206 4.114 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 1.618 53.740 52.037 0.140 0.000 0.635 550 A CB -0.664 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 -1.447 118.961 120.400 0.012 0.000 2.063 551 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 551 K C 1.809 178.192 176.600 -0.363 0.000 1.048 551 K CA 1.937 58.141 56.287 -0.139 0.000 0.928 551 K CB -0.385 32.009 32.500 -0.178 0.000 0.713 551 K HN 0.673 nan 8.250 nan 0.000 0.442 552 Y N -0.690 119.346 120.300 -0.441 0.000 2.145 552 Y HA -0.259 4.291 4.550 -0.000 0.000 0.286 552 Y C 2.173 177.145 175.900 -1.548 0.000 1.145 552 Y CA 1.363 58.850 58.100 -1.021 0.000 1.148 552 Y CB -0.397 37.466 38.460 -0.994 0.000 0.981 552 Y HN 0.169 nan 8.280 nan 0.000 0.507 553 W N 0.148 121.043 121.300 -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 -0.546 28.724 29.460 -0.317 0.000 1.126 553 W HN 0.113 nan 8.180 nan 0.000 0.545 554 Q N -0.029 119.673 119.800 -0.164 0.000 2.079 554 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 554 Q C 2.329 178.259 176.000 -0.118 0.000 0.974 554 Q CA 1.687 57.437 55.803 -0.088 0.000 0.840 554 Q CB -0.331 28.370 28.738 -0.062 0.000 0.898 554 Q HN 0.258 nan 8.270 nan 0.000 0.430 555 A N 0.151 122.806 122.820 -0.274 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 1.023 52.936 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 -0.590 119.187 119.950 -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 1.083 58.883 58.000 -0.333 0.000 1.282 556 F CB -0.134 38.462 39.000 -0.674 0.000 1.010 556 F HN 0.143 nan 8.300 nan 0.000 0.485 557 R N -0.001 120.557 120.500 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 -0.571 119.294 119.800 0.109 0.000 2.302 558 Q HA -0.022 4.317 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 0.700 56.557 55.803 0.089 0.000 0.886 558 Q CB 0.472 29.286 28.738 0.127 0.000 0.986 558 Q HN 0.167 nan 8.270 nan 0.000 0.487 559 Y N 0.111 120.393 120.300 -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 -2.858 55.224 58.100 -0.030 0.000 1.137 559 Y CB 1.515 39.961 38.460 -0.024 0.000 1.172 559 Y HN 0.081 nan 8.280 nan 0.000 0.478 560 P HA -0.149 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 1.753 64.862 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 0.424 176.703 176.300 -0.034 0.000 1.018 561 R CA 0.197 56.298 56.100 0.001 0.000 1.036 561 R CB -0.538 29.771 30.300 0.015 0.000 0.899 561 R HN 0.280 nan 8.270 nan 0.000 0.473 562 L N 1.983 123.200 121.223 -0.010 0.000 2.302 562 L HA 0.147 4.487 4.340 -0.000 0.000 0.285 562 L C 0.725 177.454 176.870 -0.234 0.000 1.090 562 L CA 0.060 54.848 54.840 -0.087 0.000 0.866 562 L CB 1.181 43.260 42.059 0.035 0.000 1.244 562 L HN 0.035 nan 8.230 nan 0.000 0.435 563 Q N 2.680 122.277 119.800 -0.339 0.000 2.222 563 Q HA 0.309 4.648 4.340 -0.000 0.000 0.206 563 Q C 0.856 176.449 176.000 -0.678 0.000 0.877 563 Q CA 0.128 55.691 55.803 -0.400 0.000 0.958 563 Q CB 0.939 29.528 28.738 -0.248 0.000 1.075 563 Q HN 0.938 nan 8.270 nan 0.000 0.483 564 G N -0.387 107.651 108.800 -1.270 0.000 2.337 564 G HA2 0.169 4.129 3.960 -0.000 0.000 0.197 564 G HA3 0.169 4.129 3.960 -0.000 0.000 0.197 564 G C -0.434 173.681 174.900 -1.308 0.000 1.238 564 G CA -0.738 43.296 45.100 -1.776 0.000 1.119 564 G HN 0.525 nan 8.290 nan 0.000 0.514 565 G N -2.166 106.122 108.800 -0.853 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 -1.935 172.865 174.900 -0.166 0.000 1.313 565 G CA -0.351 44.465 45.100 -0.474 0.000 0.830 565 G HN 1.124 nan 8.290 nan 0.000 0.506 566 F N 0.613 120.794 119.950 0.385 0.000 2.460 566 F HA 0.532 5.059 4.527 -0.000 0.000 0.341 566 F C 0.724 176.817 175.800 0.488 0.000 1.130 566 F CA -0.754 57.502 58.000 0.426 0.000 0.962 566 F CB 2.116 41.269 39.000 0.254 0.000 1.171 566 F HN 0.260 nan 8.300 nan 0.000 0.436 567 V N 3.081 123.306 119.914 0.520 0.000 2.963 567 V HA -0.091 4.028 4.120 -0.000 0.000 0.306 567 V C -0.320 175.954 176.094 0.300 0.000 1.077 567 V CA -0.332 62.090 62.300 0.203 0.000 1.124 567 V CB 0.943 32.864 31.823 0.164 0.000 0.987 567 V HN 0.779 nan 8.190 nan 0.000 0.487 568 W N 5.992 127.368 121.300 0.126 0.000 2.336 568 W HA 0.468 5.128 4.660 -0.000 0.000 0.315 568 W C -1.047 175.490 176.519 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 2.646 122.718 120.400 -0.548 0.000 2.812 569 D HA 0.123 4.763 4.640 -0.000 0.000 0.318 569 D C 0.677 176.763 176.300 -0.358 0.000 1.234 569 D CA -0.558 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 0.412 nan 8.370 nan 0.000 0.537 570 W N 0.569 121.562 121.300 -0.512 0.000 2.381 570 W HA 0.080 4.740 4.660 -0.000 0.000 0.321 570 W C -0.123 176.169 176.519 -0.377 0.000 1.196 570 W CA 1.360 58.458 57.345 -0.411 0.000 1.304 570 W CB 0.196 29.443 29.460 -0.354 0.000 1.166 570 W HN 0.224 nan 8.180 nan 0.000 0.473 571 V N 0.802 120.524 119.914 -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 -0.219 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 1.061 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 1.165 120.771 119.800 -0.322 0.000 3.135 573 Q HA 0.162 4.502 4.340 -0.000 0.000 0.344 573 Q C -0.367 175.630 176.000 -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 -0.504 0.000 1.498 573 Q HN 0.350 nan 8.270 nan 0.000 0.503 574 S N -0.070 115.729 115.700 0.165 0.000 2.565 574 S HA 0.669 5.139 4.470 -0.000 0.000 0.290 574 S C -0.227 174.557 174.600 0.307 0.000 1.150 574 S CA -0.821 57.572 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 1.794 123.132 121.223 0.190 0.000 2.334 575 L HA 0.573 4.913 4.340 -0.000 0.000 0.273 575 L C -0.378 176.418 176.870 -0.123 0.000 1.013 575 L CA -1.064 53.755 54.840 -0.035 0.000 0.816 575 L CB 1.547 43.455 42.059 -0.253 0.000 1.278 575 L HN 0.645 nan 8.230 nan 0.000 0.431 576 I N 2.277 122.715 120.570 -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 0.199 61.252 61.300 -0.412 0.000 1.383 576 I CB 0.737 38.509 38.000 -0.379 0.000 1.412 576 I HN 0.525 nan 8.210 nan 0.000 0.531 577 K N 4.796 124.563 120.400 -1.056 0.000 2.433 577 K HA 0.585 4.905 4.320 -0.000 0.000 0.252 577 K C -1.745 174.088 176.600 -1.277 0.000 1.015 577 K CA -0.865 54.729 56.287 -1.155 0.000 0.860 577 K CB 2.343 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 -0.407 0.000 2.499 578 Y HA 0.185 4.734 4.550 -0.000 0.000 0.347 578 Y C -0.154 175.860 175.900 0.189 0.000 0.987 578 Y CA -1.228 56.828 58.100 -0.072 0.000 1.044 578 Y CB 1.356 39.789 38.460 -0.046 0.000 1.245 578 Y HN 0.629 nan 8.280 nan 0.000 0.461 579 D N -0.270 120.394 120.400 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 -0.660 53.519 54.000 0.298 0.000 0.971 579 D CB 0.989 41.901 40.800 0.186 0.000 1.137 579 D HN 0.562 nan 8.370 nan 0.000 0.475 580 E N 0.440 120.708 120.200 0.114 0.000 2.253 580 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 580 E C 0.659 177.293 176.600 0.057 0.000 1.014 580 E CA 1.400 57.839 56.400 0.066 0.000 0.823 580 E CB -0.612 29.110 29.700 0.037 0.000 0.736 580 E HN 0.432 nan 8.360 nan 0.000 0.478 581 N N 0.265 119.009 118.700 0.073 0.000 2.370 581 N HA 0.110 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 53.903 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 1.065 109.927 108.800 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 0.259 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 1.166 120.040 118.700 0.289 0.000 2.438 583 N HA 0.514 5.253 4.740 -0.000 0.000 0.282 583 N C -2.528 173.142 175.510 0.267 0.000 1.037 583 N CA -1.418 51.790 53.050 0.262 0.000 0.942 583 N CB 2.170 40.761 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 -0.452 62.412 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 -0.280 120.749 121.300 -0.451 0.000 3.083 585 W HA 0.472 5.132 4.660 -0.000 0.000 0.333 585 W C -1.413 174.918 176.519 -0.313 0.000 1.217 585 W CA -1.125 55.977 57.345 -0.406 0.000 1.170 585 W CB 0.444 29.462 29.460 -0.737 0.000 1.437 585 W HN 0.096 nan 8.180 nan 0.000 0.557 586 S N 1.495 117.285 115.700 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 -0.211 58.076 58.200 0.145 0.000 1.050 586 S CB 0.670 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 3.262 126.128 122.820 0.077 0.000 2.340 587 A HA 0.866 5.186 4.320 -0.000 0.000 0.331 587 A C -0.742 177.119 177.584 0.463 0.000 1.140 587 A CA -0.725 51.392 52.037 0.134 0.000 0.801 587 A CB 0.669 19.471 19.000 -0.329 0.000 1.234 587 A HN 0.840 nan 8.150 nan 0.000 0.469 588 Y N -0.551 120.085 120.300 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 -1.432 56.977 58.100 0.515 0.000 1.117 588 Y CB 0.016 38.601 38.460 0.209 0.000 1.344 588 Y HN 0.945 nan 8.280 nan 0.000 0.525 589 G N 0.005 109.164 108.800 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 0.489 45.876 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 0.485 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 0.142 4.782 4.640 -0.000 0.000 0.221 591 D C 1.316 177.498 176.300 -0.196 0.000 0.986 591 D CA 0.547 54.603 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 -1.022 119.050 119.950 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 -0.173 57.908 58.000 0.135 0.000 1.244 592 F CB 0.721 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 0.551 109.516 108.800 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 -0.160 174.880 174.900 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 0.747 121.337 120.400 0.317 0.000 2.450 594 D HA 0.406 5.046 4.640 -0.000 0.000 0.247 594 D C -0.090 176.336 176.300 0.211 0.000 1.162 594 D CA 0.693 54.868 54.000 0.292 0.000 0.879 594 D CB 1.060 42.093 40.800 0.389 0.000 1.163 594 D HN 0.085 nan 8.370 nan 0.000 0.472 595 T N 2.840 117.490 114.554 0.160 0.000 2.971 595 T HA 0.451 4.801 4.350 -0.000 0.000 0.304 595 T C -2.368 172.375 174.700 0.071 0.000 1.038 595 T CA -0.980 61.183 62.100 0.104 0.000 1.007 595 T CB 1.964 70.888 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 -1.093 176.194 177.300 -0.021 0.000 1.258 596 P CA -0.691 62.408 63.100 -0.001 0.000 0.811 596 P CB 0.845 32.517 31.700 -0.047 0.000 1.063 597 N N -0.545 118.150 118.700 -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 0.231 nan 8.380 nan 0.000 0.499 598 D N -0.144 120.227 120.400 -0.047 0.000 2.593 598 D HA 0.125 4.764 4.640 -0.000 0.000 0.241 598 D C 0.569 177.103 176.300 0.390 0.000 1.257 598 D CA -0.190 53.858 54.000 0.080 0.000 0.828 598 D CB 1.042 41.748 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 0.991 177.285 176.300 -0.011 0.000 0.241 599 R CA 1.495 57.766 56.100 0.284 0.000 1.619 599 R CB -1.400 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 0.637 120.121 119.800 -0.525 0.000 2.437 600 Q HA 0.095 4.434 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 1.750 57.080 55.803 -0.787 0.000 0.903 600 Q CB -0.251 27.900 28.738 -0.979 0.000 0.967 600 Q HN 0.458 nan 8.270 nan 0.000 0.486 601 F N 0.505 120.342 119.950 -0.188 0.000 2.323 601 F HA -0.246 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 1.013 58.992 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 -1.572 117.447 119.300 -0.468 0.000 2.562 602 C HA 0.232 4.691 4.460 -0.000 0.000 0.266 602 C C 0.992 175.788 174.990 -0.325 0.000 1.382 602 C CA -0.531 58.062 59.018 -0.709 0.000 1.742 602 C CB -1.621 25.156 27.740 -1.604 0.000 1.812 602 C HN 0.200 nan 8.230 nan 0.000 0.559 603 M N 2.948 122.399 119.600 -0.247 0.000 2.060 603 M HA 0.346 4.826 4.480 -0.000 0.000 0.342 603 M C -0.528 175.665 176.300 -0.179 0.000 1.031 603 M CA 0.216 55.408 55.300 -0.181 0.000 0.981 603 M CB 0.547 33.071 32.600 -0.125 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 4.934 4.740 -0.000 0.000 0.248 604 N C 0.120 175.436 175.510 -0.324 0.000 1.322 604 N CA -0.099 52.809 53.050 -0.236 0.000 0.861 604 N CB 1.393 39.826 38.487 -0.090 0.000 1.303 604 N HN 0.705 nan 8.380 nan 0.000 0.498 605 G N -0.250 108.321 108.800 -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 -0.315 120.489 121.223 -0.699 0.000 2.509 606 L HA 0.162 4.502 4.340 -0.000 0.000 0.222 606 L C 0.683 176.956 176.870 -0.995 0.000 1.123 606 L CA 0.238 54.669 54.840 -0.681 0.000 0.856 606 L CB -0.102 41.702 42.059 -0.424 0.000 0.985 606 L HN 0.376 nan 8.230 nan 0.000 0.456 607 V N -5.066 114.146 119.914 -1.171 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 60.493 62.300 -0.979 0.000 0.971 607 V CB 1.680 32.977 31.823 -0.877 0.000 1.028 607 V HN -0.132 nan 8.190 nan 0.000 0.430 608 F N 1.677 121.455 119.950 -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 0.512 58.471 58.000 -0.068 0.000 1.262 608 F CB 1.250 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 1.083 123.991 122.820 0.147 0.000 2.042 609 A HA -0.286 4.033 4.320 -0.000 0.000 0.222 609 A C 1.532 179.091 177.584 -0.041 0.000 1.167 609 A CA 2.149 54.215 52.037 0.047 0.000 0.649 609 A CB -1.118 17.950 19.000 0.112 0.000 0.809 609 A HN 0.850 nan 8.150 nan 0.000 0.457 610 D N -3.266 117.129 120.400 -0.008 0.000 2.340 610 D HA 0.201 4.841 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 -0.016 53.953 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 0.209 nan 8.370 nan 0.000 0.523 611 R N -0.999 119.473 120.500 -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 57.193 56.100 -0.076 0.000 0.849 611 R CB -3.279 27.011 30.300 -0.017 0.000 1.365 611 R HN 0.566 nan 8.270 nan 0.000 0.502 612 T N -2.541 112.045 114.554 0.054 0.000 2.824 612 T HA 0.725 5.074 4.350 -0.000 0.000 0.280 612 T C -2.571 172.255 174.700 0.210 0.000 0.995 612 T CA -2.464 59.710 62.100 0.124 0.000 1.009 612 T CB 2.536 71.473 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 -0.094 62.995 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 3.793 122.667 119.070 -0.326 0.000 2.505 614 H HA 0.132 4.688 4.556 -0.000 0.000 0.355 614 H C -1.169 174.057 175.328 -0.169 0.000 1.179 614 H CA -2.017 53.826 56.048 -0.341 0.000 1.343 614 H CB 0.706 30.230 29.762 -0.396 0.000 1.501 614 H HN 0.325 nan 8.280 nan 0.000 0.569 615 P HA -0.125 nan 4.420 nan 0.000 0.220 615 P C 1.166 178.463 177.300 -0.006 0.000 1.148 615 P CA 1.125 64.214 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 -0.032 122.786 122.820 -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 1.325 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 -0.105 121.085 121.223 -0.055 0.000 2.127 617 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 617 L C 2.352 179.253 176.870 0.053 0.000 1.089 617 L CA 2.654 57.489 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 -1.355 113.237 114.554 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 0.157 0.000 1.059 618 T CA 1.267 63.459 62.100 0.153 0.000 1.137 618 T CB -0.118 68.829 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 -0.020 4.330 4.350 -0.000 0.000 0.193 619 E C 2.268 178.873 176.600 0.008 0.000 0.989 619 E CA 1.257 57.697 56.400 0.067 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 -0.168 0.000 1.902 620 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 620 A C 2.172 179.648 177.584 -0.181 0.000 1.181 620 A CA 1.983 53.886 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 0.643 nan 8.250 nan 0.000 0.442 622 H N 0.469 119.346 119.070 -0.322 0.000 2.299 622 H HA -0.008 4.548 4.556 -0.000 0.000 0.302 622 H C 1.970 177.013 175.328 -0.474 0.000 1.078 622 H CA 1.728 57.401 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 0.336 119.840 119.800 -0.493 0.000 2.226 623 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 623 Q C 1.633 177.098 176.000 -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 0.884 120.136 119.800 -0.914 0.000 2.320 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.201 624 Q C 0.182 175.629 176.000 -0.921 0.000 0.910 624 Q CA -0.267 54.851 55.803 -1.141 0.000 0.946 624 Q CB 0.192 28.286 28.738 -1.074 0.000 1.062 624 Q HN 0.425 nan 8.270 nan 0.000 0.503 625 Q N -0.535 118.866 119.800 -0.665 0.000 2.428 625 Q HA -0.031 4.309 4.340 -0.000 0.000 0.276 625 Q C -0.353 175.292 176.000 -0.591 0.000 1.059 625 Q CA 0.265 55.789 55.803 -0.465 0.000 0.923 625 Q CB 0.411 29.015 28.738 -0.222 0.000 1.283 625 Q HN 0.177 nan 8.270 nan 0.000 0.447 626 F N 0.364 120.066 119.950 -0.414 0.000 2.797 626 F HA 0.289 4.816 4.527 -0.000 0.000 0.302 626 F C -0.235 175.004 175.800 -0.935 0.000 1.130 626 F CA -0.063 57.464 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 0.180 120.056 119.950 -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 -0.525 0.000 1.103 627 F CA -1.045 56.790 58.000 -0.276 0.000 0.926 627 F CB 1.347 40.197 39.000 -0.249 0.000 1.154 627 F HN -0.319 nan 8.300 nan 0.000 0.453 628 Q N 3.050 122.600 119.800 -0.417 0.000 2.377 628 Q HA 0.552 4.892 4.340 -0.000 0.000 0.271 628 Q C -1.457 174.198 176.000 -0.576 0.000 1.077 628 Q CA -0.704 54.850 55.803 -0.415 0.000 0.820 628 Q CB 3.152 31.794 28.738 -0.161 0.000 1.347 628 Q HN 0.552 nan 8.270 nan 0.000 0.444 629 F N 0.223 120.298 119.950 0.209 0.000 2.546 629 F HA 0.598 5.125 4.527 -0.000 0.000 0.320 629 F C 0.390 176.418 175.800 0.379 0.000 1.076 629 F CA -0.841 57.352 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 1.731 122.537 120.500 0.510 0.000 2.686 630 R HA 0.654 4.994 4.340 -0.000 0.000 0.283 630 R C -2.007 174.361 176.300 0.113 0.000 0.978 630 R CA -1.192 55.109 56.100 0.335 0.000 0.897 630 R CB 2.687 33.089 30.300 0.170 0.000 1.192 630 R HN 0.591 nan 8.270 nan 0.000 0.457 631 L N 1.344 122.504 121.223 -0.105 0.000 2.325 631 L HA 0.473 4.813 4.340 -0.000 0.000 0.281 631 L C -1.025 175.688 176.870 -0.262 0.000 1.004 631 L CA 0.169 54.724 54.840 -0.476 0.000 0.823 631 L CB 1.959 43.281 42.059 -1.228 0.000 1.236 631 L HN 0.458 nan 8.230 nan 0.000 0.415 632 S N 3.715 119.291 115.700 -0.208 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 58.326 58.200 -0.135 0.000 1.090 632 S CB 0.378 63.533 63.200 -0.075 0.000 1.019 632 S HN 1.379 nan 8.310 nan 0.000 0.482 633 G N 4.198 112.912 108.800 -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 29.708 28.738 -0.151 0.000 1.131 634 Q HN 0.554 nan 8.270 nan 0.000 0.498 635 T N 1.191 115.638 114.554 -0.178 0.000 2.767 635 T HA 0.517 4.867 4.350 -0.000 0.000 0.284 635 T C 0.134 174.735 174.700 -0.166 0.000 0.973 635 T CA -0.289 61.722 62.100 -0.148 0.000 0.996 635 T CB 1.401 70.213 68.868 -0.094 0.000 0.927 635 T HN 0.020 nan 8.240 nan 0.000 0.456 636 I N 2.603 123.097 120.570 -0.128 0.000 2.359 636 I HA 0.311 4.481 4.170 -0.000 0.000 0.294 636 I C 0.478 176.626 176.117 0.051 0.000 0.987 636 I CA -0.613 60.645 61.300 -0.070 0.000 1.225 636 I CB 1.430 39.419 38.000 -0.018 0.000 1.366 636 I HN 0.615 nan 8.210 nan 0.000 0.466 637 E N 6.578 126.838 120.200 0.100 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 4.078 124.078 119.914 0.143 0.000 2.427 638 V HA 0.347 4.467 4.120 -0.000 0.000 0.286 638 V C -0.000 176.115 176.094 0.035 0.000 1.034 638 V CA -0.488 61.858 62.300 0.076 0.000 0.893 638 V CB 1.769 33.663 31.823 0.117 0.000 0.982 638 V HN 0.730 nan 8.190 nan 0.000 0.452 639 T N 3.141 117.675 114.554 -0.033 0.000 2.841 639 T HA 0.385 4.735 4.350 -0.000 0.000 0.283 639 T C -0.232 174.476 174.700 0.014 0.000 1.000 639 T CA -0.321 61.777 62.100 -0.003 0.000 0.977 639 T CB 1.633 70.478 68.868 -0.038 0.000 0.979 639 T HN 0.688 nan 8.240 nan 0.000 0.446 640 S N 1.609 117.328 115.700 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 0.647 63.892 63.200 0.075 0.000 1.004 640 S HN 0.710 nan 8.310 nan 0.000 0.493 641 E N 3.045 123.053 120.200 -0.319 0.000 2.496 641 E HA 0.118 4.468 4.350 -0.000 0.000 0.200 641 E C -0.967 175.485 176.600 -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 29.894 29.700 -0.260 0.000 1.071 641 E HN 0.660 nan 8.360 nan 0.000 0.457 642 Y N 0.355 120.552 120.300 -0.171 0.000 2.299 642 Y HA 0.111 4.661 4.550 -0.000 0.000 0.326 642 Y C 1.356 177.098 175.900 -0.262 0.000 1.164 642 Y CA -0.275 57.697 58.100 -0.212 0.000 1.234 642 Y CB 0.989 39.301 38.460 -0.246 0.000 1.219 642 Y HN -0.003 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 0.601 176.998 176.870 -0.788 0.000 1.088 643 L CA 0.686 55.126 54.840 -0.666 0.000 0.849 643 L CB 0.051 41.334 42.059 -1.293 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 57.189 58.000 -0.017 0.000 1.239 644 F CB 0.331 39.298 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 -0.991 175.299 176.300 -0.017 0.000 1.009 645 R CA -0.672 55.404 56.100 -0.038 0.000 1.059 645 R CB 0.784 30.960 30.300 -0.207 0.000 1.112 645 R HN 0.073 nan 8.270 nan 0.000 0.517 646 H N 0.393 119.436 119.070 -0.045 0.000 2.505 646 H HA 0.160 4.716 4.556 -0.000 0.000 0.351 646 H C -0.262 175.076 175.328 0.016 0.000 1.151 646 H CA -0.203 55.853 56.048 0.014 0.000 1.339 646 H CB 1.263 31.041 29.762 0.026 0.000 1.483 646 H HN 0.760 nan 8.280 nan 0.000 0.558 647 S N 2.462 118.017 115.700 -0.241 0.000 3.829 647 S HA -0.015 4.455 4.470 -0.000 0.000 0.250 647 S C -0.084 174.609 174.600 0.154 0.000 1.263 647 S CA -0.236 57.997 58.200 0.055 0.000 0.955 647 S CB -0.661 62.582 63.200 0.072 0.000 1.611 647 S HN 0.728 nan 8.310 nan 0.000 0.483 648 D N 0.717 121.218 120.400 0.169 0.000 2.427 648 D HA 0.110 4.750 4.640 -0.000 0.000 0.224 648 D C 0.226 176.586 176.300 0.100 0.000 1.157 648 D CA -0.458 53.645 54.000 0.171 0.000 0.828 648 D CB -0.246 40.650 40.800 0.160 0.000 0.974 648 D HN 0.485 nan 8.370 nan 0.000 0.498 649 N N 0.169 118.926 118.700 0.096 0.000 2.605 649 N HA 0.133 4.873 4.740 -0.000 0.000 0.265 649 N C -1.629 173.938 175.510 0.095 0.000 1.625 649 N CA -0.152 52.944 53.050 0.077 0.000 0.862 649 N CB 0.279 38.799 38.487 0.054 0.000 1.415 649 N HN -0.024 nan 8.380 nan 0.000 0.513 650 E N 0.085 120.336 120.200 0.085 0.000 2.278 650 E HA 0.462 4.811 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 55.839 56.400 0.061 0.000 0.770 650 E CB 1.957 31.660 29.700 0.006 0.000 1.212 650 E HN 0.084 nan 8.360 nan 0.000 0.415 651 L N 3.127 124.388 121.223 0.064 0.000 2.362 651 L HA 0.555 4.894 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 -0.925 53.985 54.840 0.117 0.000 0.820 651 L CB 1.633 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 4.877 126.220 121.223 0.200 0.000 2.265 652 L HA 0.422 4.762 4.340 -0.000 0.000 0.289 652 L C -0.599 176.499 176.870 0.380 0.000 1.033 652 L CA 0.139 55.127 54.840 0.248 0.000 0.814 652 L CB 0.390 42.588 42.059 0.231 0.000 1.203 652 L HN 0.547 nan 8.230 nan 0.000 0.423 653 H N 5.933 125.067 119.070 0.107 0.000 2.488 653 H HA 0.346 4.902 4.556 -0.000 0.000 0.322 653 H C -1.085 174.325 175.328 0.136 0.000 1.078 653 H CA -0.713 55.360 56.048 0.041 0.000 1.260 653 H CB 0.927 30.681 29.762 -0.015 0.000 1.425 653 H HN 0.702 nan 8.280 nan 0.000 0.471 654 W N 3.664 125.029 121.300 0.109 0.000 2.850 654 W HA 0.593 5.252 4.660 -0.000 0.000 0.349 654 W C -1.314 175.247 176.519 0.070 0.000 1.133 654 W CA -1.452 55.950 57.345 0.095 0.000 1.117 654 W CB 1.571 31.080 29.460 0.081 0.000 1.442 654 W HN 0.560 nan 8.180 nan 0.000 0.575 655 M N 1.468 121.421 119.600 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 -0.464 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 3.158 123.292 119.914 0.367 0.000 2.459 656 V HA 1.024 5.144 4.120 -0.000 0.000 0.295 656 V C -0.177 176.037 176.094 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 4.484 127.432 122.820 0.212 0.000 2.515 657 A HA 0.879 5.199 4.320 -0.000 0.000 0.298 657 A C -1.526 176.191 177.584 0.220 0.000 1.059 657 A CA -0.592 51.540 52.037 0.159 0.000 0.698 657 A CB 1.767 20.821 19.000 0.089 0.000 1.289 657 A HN 0.871 nan 8.150 nan 0.000 0.404 658 L N 1.495 122.812 121.223 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 0.418 42.546 42.059 0.116 0.000 1.218 658 L HN 0.760 nan 8.230 nan 0.000 0.424 659 D N 4.474 125.045 120.400 0.285 0.000 2.751 659 D HA -0.198 4.442 4.640 -0.000 0.000 0.233 659 D C 1.115 177.439 176.300 0.041 0.000 1.149 659 D CA 1.624 55.771 54.000 0.245 0.000 0.682 659 D CB -1.114 39.801 40.800 0.192 0.000 1.068 659 D HN 1.167 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 0.211 175.032 174.900 -0.131 0.000 0.997 660 G CA 0.377 45.353 45.100 -0.206 0.000 0.623 660 G HN 0.449 nan 8.290 nan 0.000 0.514 661 K N 1.985 122.361 120.400 -0.040 0.000 2.211 661 K HA 0.588 4.908 4.320 -0.000 0.000 0.275 661 K C -2.683 173.917 176.600 0.000 0.000 1.024 661 K CA -2.022 54.246 56.287 -0.030 0.000 0.887 661 K CB 1.922 34.416 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 -0.214 62.883 63.100 -0.005 0.000 0.778 662 P CB 0.825 32.499 31.700 -0.043 0.000 0.895 663 L N 1.345 122.596 121.223 0.046 0.000 2.685 663 L HA 0.535 4.875 4.340 -0.000 0.000 0.235 663 L C 0.812 177.720 176.870 0.063 0.000 1.070 663 L CA 0.202 55.075 54.840 0.055 0.000 0.888 663 L CB 0.214 42.322 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 -0.964 176.559 177.584 -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 20.666 19.000 0.287 0.000 1.281 664 A HN -0.001 nan 8.150 nan 0.000 0.402 665 S N -0.284 115.129 115.700 -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 -1.439 0.000 1.117 665 S CA -0.318 57.319 58.200 -0.939 0.000 0.873 665 S CB 2.015 64.919 63.200 -0.492 0.000 1.108 665 S HN 2.156 nan 8.310 nan 0.000 0.477 666 G N 0.033 107.702 108.800 -1.885 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 43.667 45.100 -1.300 0.000 0.798 666 G HN 0.608 nan 8.290 nan 0.000 0.488 667 E N -1.009 119.008 120.200 -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 3.807 123.820 119.914 0.164 0.000 2.808 668 V HA 0.463 4.583 4.120 -0.000 0.000 0.308 668 V C -2.549 173.632 176.094 0.144 0.000 1.099 668 V CA -1.777 60.620 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 0.428 nan 4.420 nan 0.000 0.290 669 P C -0.884 176.468 177.300 0.087 0.000 1.276 669 P CA -0.376 62.782 63.100 0.097 0.000 0.808 669 P CB 1.131 32.883 31.700 0.086 0.000 0.966 670 L N 2.735 123.995 121.223 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 42.417 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 -1.267 175.025 176.300 -0.014 0.000 1.233 671 D CA -0.089 53.985 54.000 0.123 0.000 0.849 671 D CB 0.903 41.821 40.800 0.197 0.000 1.261 671 D HN 0.084 nan 8.370 nan 0.000 0.516 672 V N 0.565 120.326 119.914 -0.256 0.000 2.540 672 V HA 0.901 5.021 4.120 -0.000 0.000 0.302 672 V C 0.646 176.471 176.094 -0.448 0.000 1.035 672 V CA -1.362 60.830 62.300 -0.181 0.000 0.873 672 V CB 1.423 33.273 31.823 0.045 0.000 0.992 672 V HN 0.420 nan 8.190 nan 0.000 0.428 673 A N 5.654 128.383 122.820 -0.152 0.000 2.351 673 A HA 0.766 5.086 4.320 -0.000 0.000 0.257 673 A C -2.340 175.256 177.584 0.020 0.000 1.087 673 A CA -1.623 50.425 52.037 0.018 0.000 0.798 673 A CB -0.068 19.012 19.000 0.132 0.000 1.033 673 A HN 0.719 nan 8.150 nan 0.000 0.488 674 P HA 0.030 nan 4.420 nan 0.000 0.261 674 P C -0.487 176.812 177.300 -0.002 0.000 1.183 674 P CA 0.662 63.778 63.100 0.026 0.000 0.761 674 P CB 0.363 32.062 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 0.690 176.686 176.000 -0.006 0.000 0.847 675 Q CA 1.300 57.084 55.803 -0.031 0.000 1.214 675 Q CB -2.213 26.495 28.738 -0.051 0.000 1.523 675 Q HN 0.762 nan 8.270 nan 0.000 0.602 676 G N 0.267 109.076 108.800 0.015 0.000 2.705 676 G HA2 0.641 4.600 3.960 -0.000 0.000 0.299 676 G HA3 0.641 4.600 3.960 -0.000 0.000 0.299 676 G C -0.638 174.283 174.900 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 -0.540 119.883 120.400 0.040 0.000 2.328 677 K HA 0.499 4.819 4.320 -0.000 0.000 0.246 677 K C -0.910 175.722 176.600 0.054 0.000 0.955 677 K CA -0.566 55.748 56.287 0.045 0.000 0.817 677 K CB 2.406 34.928 32.500 0.036 0.000 1.208 677 K HN 0.511 nan 8.250 nan 0.000 0.432 678 Q N 3.114 122.951 119.800 0.063 0.000 2.289 678 Q HA 0.359 4.699 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 5.218 126.472 121.223 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 -0.647 54.216 54.840 0.038 0.000 0.807 679 L CB 1.238 43.310 42.059 0.020 0.000 1.209 679 L HN 0.605 nan 8.230 nan 0.000 0.423 680 I N 3.174 123.759 120.570 0.025 0.000 2.382 680 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 680 I C -0.151 175.936 176.117 -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 6.793 126.965 120.200 -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 30.968 29.700 -0.041 0.000 1.056 681 E HN 0.474 nan 8.360 nan 0.000 0.407 682 L N 6.129 127.236 121.223 -0.193 0.000 2.326 682 L HA 0.296 4.635 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 52.839 54.840 -0.296 0.000 0.810 682 L CB 1.024 42.812 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 -0.473 176.783 177.300 -0.074 0.000 1.223 683 P CA -0.295 62.774 63.100 -0.051 0.000 0.785 683 P CB 0.509 32.237 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 -0.253 176.337 176.600 -0.017 0.000 0.984 684 E CA 0.012 56.392 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 6.448 127.648 121.223 -0.039 0.000 2.350 685 L HA 0.304 4.644 4.340 -0.000 0.000 0.275 685 L C -1.869 175.008 176.870 0.012 0.000 1.099 685 L CA -2.113 52.718 54.840 -0.014 0.000 0.808 685 L CB 0.531 42.560 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 -1.139 176.177 177.300 0.028 0.000 1.205 686 P CA -0.194 62.931 63.100 0.042 0.000 0.771 686 P CB 0.528 32.266 31.700 0.064 0.000 0.858 687 Q N 2.215 122.027 119.800 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 0.411 29.150 28.738 0.003 0.000 1.280 687 Q HN 0.424 nan 8.270 nan 0.000 0.441 688 P HA -0.045 nan 4.420 nan 0.000 0.267 688 P C -0.013 177.300 177.300 0.022 0.000 1.201 688 P CA 0.151 63.267 63.100 0.027 0.000 0.775 688 P CB 1.238 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 0.025 4.374 4.350 -0.000 0.000 0.193 689 E C 0.470 177.083 176.600 0.023 0.000 0.957 689 E CA 0.379 56.790 56.400 0.019 0.000 0.858 689 E CB -0.319 29.391 29.700 0.017 0.000 0.816 689 E HN 0.524 nan 8.360 nan 0.000 0.475 690 S N 1.629 117.345 115.700 0.027 0.000 2.550 690 S HA 0.181 4.651 4.470 -0.000 0.000 0.285 690 S C 0.409 175.031 174.600 0.038 0.000 1.326 690 S CA 0.015 58.235 58.200 0.033 0.000 1.037 690 S CB 0.667 63.888 63.200 0.035 0.000 0.838 690 S HN 0.275 nan 8.310 nan 0.000 0.519 691 A N 1.573 124.418 122.820 0.042 0.000 2.322 691 A HA 0.793 5.112 4.320 -0.000 0.000 0.269 691 A C 0.888 178.510 177.584 0.062 0.000 1.094 691 A CA 0.210 52.275 52.037 0.047 0.000 0.807 691 A CB -0.050 18.978 19.000 0.048 0.000 1.047 691 A HN 1.880 nan 8.150 nan 0.000 0.487 692 G N -0.141 108.698 108.800 0.065 0.000 2.346 692 G HA2 0.304 4.264 3.960 -0.000 0.000 0.294 692 G HA3 0.304 4.264 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 -0.855 44.302 45.100 0.095 0.000 0.962 692 G HN 0.859 nan 8.290 nan 0.000 0.508 693 Q N -0.632 119.249 119.800 0.134 0.000 2.307 693 Q HA 0.620 4.960 4.340 -0.000 0.000 0.262 693 Q C -0.802 175.290 176.000 0.153 0.000 0.961 693 Q CA -0.761 55.083 55.803 0.069 0.000 0.882 693 Q CB 2.353 31.163 28.738 0.120 0.000 1.264 693 Q HN 0.513 nan 8.270 nan 0.000 0.446 694 L N 3.516 124.721 121.223 -0.030 0.000 2.275 694 L HA 0.499 4.839 4.340 -0.000 0.000 0.288 694 L C -1.787 175.046 176.870 -0.061 0.000 1.046 694 L CA 0.058 54.931 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 5.447 126.814 121.300 0.111 0.000 2.915 695 W HA 0.565 5.225 4.660 -0.000 0.000 0.337 695 W C -1.118 175.509 176.519 0.179 0.000 1.102 695 W CA -0.679 56.755 57.345 0.148 0.000 1.224 695 W CB 1.726 31.299 29.460 0.188 0.000 1.416 695 W HN 0.292 nan 8.180 nan 0.000 0.503 696 L N 2.988 124.508 121.223 0.495 0.000 2.307 696 L HA 0.792 5.132 4.340 -0.000 0.000 0.284 696 L C -0.370 176.805 176.870 0.507 0.000 1.023 696 L CA 0.177 55.282 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 4.959 119.753 114.554 0.401 0.000 2.848 697 T HA 0.663 5.013 4.350 -0.000 0.000 0.285 697 T C -0.832 174.044 174.700 0.294 0.000 0.995 697 T CA -0.429 61.852 62.100 0.303 0.000 0.970 697 T CB 1.578 70.562 68.868 0.194 0.000 0.976 697 T HN 0.601 nan 8.240 nan 0.000 0.441 698 V N 1.684 121.724 119.914 0.210 0.000 2.715 698 V HA 0.855 4.975 4.120 -0.000 0.000 0.310 698 V C -0.632 175.519 176.094 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 2.101 122.683 120.500 0.137 0.000 2.673 699 R HA 0.802 5.142 4.340 -0.000 0.000 0.281 699 R C -1.629 174.750 176.300 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 33.018 30.300 0.056 0.000 1.201 699 R HN 0.712 nan 8.270 nan 0.000 0.457 700 V N 3.721 123.744 119.914 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 61.761 62.300 0.134 0.000 0.868 700 V CB 1.718 33.647 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 0.444 4.564 4.120 -0.000 0.000 0.306 701 V C -0.328 175.790 176.094 0.040 0.000 1.045 701 V CA -0.815 61.460 62.300 -0.042 0.000 0.905 701 V CB 1.983 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 4.522 124.372 119.800 0.083 0.000 2.421 702 Q HA 0.272 4.612 4.340 -0.000 0.000 0.242 702 Q C -1.781 174.244 176.000 0.043 0.000 1.024 702 Q CA -1.785 54.073 55.803 0.091 0.000 0.891 702 Q CB 1.874 30.687 28.738 0.127 0.000 1.222 702 Q HN 0.488 nan 8.270 nan 0.000 0.483 703 P HA -0.198 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 1.351 64.468 63.100 0.029 0.000 0.868 703 P CB 0.319 32.043 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 -0.359 175.107 175.510 -0.074 0.000 1.102 704 N CA -0.709 52.324 53.050 -0.028 0.000 0.924 704 N CB 0.872 39.345 38.487 -0.023 0.000 1.186 704 N HN -0.020 nan 8.380 nan 0.000 0.492 705 A N 0.491 123.258 122.820 -0.088 0.000 2.346 705 A HA 0.544 4.864 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 0.016 18.950 19.000 -0.110 0.000 1.047 705 A HN 0.737 nan 8.150 nan 0.000 0.494 706 T N -3.514 110.834 114.554 -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 0.071 61.936 62.100 -0.391 0.000 1.020 706 T CB 1.078 69.450 68.868 -0.826 0.000 1.317 706 T HN 1.352 nan 8.240 nan 0.000 0.538 707 A N -0.216 122.490 122.820 -0.190 0.000 2.119 707 A HA 0.162 4.481 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 0.785 52.854 52.037 0.054 0.000 0.692 707 A CB -0.805 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 -0.761 120.590 121.300 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 -1.003 28.465 29.460 0.014 0.000 1.106 708 W HN 0.395 nan 8.180 nan 0.000 0.545 709 S N 0.428 115.729 115.700 -0.664 0.000 2.556 709 S HA 0.443 4.913 4.470 -0.000 0.000 0.271 709 S C -0.513 173.856 174.600 -0.385 0.000 1.135 709 S CA -0.703 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 -0.886 55.458 56.400 -0.093 0.000 0.936 710 E CB 0.880 30.573 29.700 -0.012 0.000 1.130 710 E HN 0.874 nan 8.360 nan 0.000 0.465 711 A N -0.204 122.594 122.820 -0.037 0.000 2.425 711 A HA 0.451 4.771 4.320 -0.000 0.000 0.249 711 A C 1.034 178.628 177.584 0.017 0.000 1.084 711 A CA 0.536 52.563 52.037 -0.017 0.000 0.781 711 A CB -0.234 18.757 19.000 -0.015 0.000 1.019 711 A HN 0.779 nan 8.150 nan 0.000 0.490 712 G N 0.337 109.152 108.800 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 0.140 175.069 174.900 0.047 0.000 0.989 712 G CA 0.683 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 0.447 119.509 119.070 -0.014 0.000 2.764 713 H HA 0.495 5.051 4.556 -0.000 0.000 0.341 713 H C 0.504 175.876 175.328 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 0.014 0.000 1.458 713 H HN 0.050 nan 8.280 nan 0.000 0.572 714 I N 4.762 125.062 120.570 -0.450 0.000 2.325 714 I HA 0.012 4.182 4.170 -0.000 0.000 0.291 714 I C 1.060 177.059 176.117 -0.196 0.000 1.019 714 I CA 0.152 61.325 61.300 -0.212 0.000 1.302 714 I CB 0.852 38.766 38.000 -0.143 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 4.052 119.850 115.700 0.163 0.000 2.526 715 S HA 0.624 5.094 4.470 -0.000 0.000 0.220 715 S C 0.499 175.366 174.600 0.446 0.000 1.017 715 S CA 0.060 58.483 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 0.720 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 -0.454 121.008 121.300 0.271 0.000 2.959 717 W HA 0.813 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 -0.635 56.752 57.345 0.069 0.000 1.183 717 W CB 1.167 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 1.447 121.283 119.800 0.060 0.000 2.617 718 Q HA 0.333 4.673 4.340 -0.000 0.000 0.270 718 Q C -1.760 174.012 176.000 -0.379 0.000 0.967 718 Q CA -0.591 55.064 55.803 -0.247 0.000 0.887 718 Q CB 2.147 30.567 28.738 -0.531 0.000 1.516 718 Q HN 0.670 nan 8.270 nan 0.000 0.395 719 Q N 2.546 122.059 119.800 -0.477 0.000 2.416 719 Q HA 0.727 5.067 4.340 -0.000 0.000 0.281 719 Q C -1.460 174.397 176.000 -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 2.007 123.499 121.300 0.320 0.000 3.032 720 W HA 0.463 5.123 4.660 -0.000 0.000 0.335 720 W C -0.535 175.986 176.519 0.004 0.000 1.154 720 W CA -0.854 56.597 57.345 0.176 0.000 1.204 720 W CB 2.081 31.583 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 0.744 176.831 176.300 -0.355 0.000 1.056 721 R CA -0.048 55.551 56.100 -0.836 0.000 0.901 721 R CB 0.556 30.160 30.300 -1.160 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 0.719 177.494 176.870 -0.159 0.000 1.083 722 L CA 0.591 55.340 54.840 -0.153 0.000 0.790 722 L CB 0.060 42.071 42.059 -0.079 0.000 0.942 722 L HN 0.704 nan 8.230 nan 0.000 0.452 723 A N -0.465 122.239 122.820 -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 1.712 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 0.539 120.684 120.200 -0.092 0.000 2.291 724 E HA 0.399 4.749 4.350 -0.000 0.000 0.276 724 E C -1.770 174.814 176.600 -0.026 0.000 0.896 724 E CA -0.606 55.756 56.400 -0.064 0.000 0.774 724 E CB 1.227 30.882 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 1.330 39.826 38.487 0.015 0.000 1.144 725 N HN 0.496 nan 8.380 nan 0.000 0.500 726 L N 0.876 122.109 121.223 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 1.724 117.449 115.700 0.041 0.000 2.439 727 S HA 0.255 4.725 4.470 -0.000 0.000 0.282 727 S C 0.343 174.966 174.600 0.037 0.000 1.170 727 S CA -0.900 57.325 58.200 0.041 0.000 1.054 727 S CB 0.604 63.834 63.200 0.050 0.000 0.956 727 S HN 0.421 nan 8.310 nan 0.000 0.490 728 V N 3.076 123.009 119.914 0.031 0.000 3.063 728 V HA 0.381 4.501 4.120 -0.000 0.000 0.379 728 V C 0.530 176.641 176.094 0.028 0.000 1.310 728 V CA -0.292 62.025 62.300 0.028 0.000 1.333 728 V CB -1.040 30.797 31.823 0.023 0.000 1.331 728 V HN 0.821 nan 8.190 nan 0.000 0.527 729 T N -0.426 114.148 114.554 0.032 0.000 2.918 729 T HA 0.804 5.154 4.350 -0.000 0.000 0.286 729 T C -0.620 174.099 174.700 0.031 0.000 1.026 729 T CA -0.734 61.384 62.100 0.030 0.000 1.031 729 T CB 2.081 70.966 68.868 0.029 0.000 1.046 729 T HN 0.271 nan 8.240 nan 0.000 0.479 730 L N 3.070 124.310 121.223 0.027 0.000 2.296 730 L HA 0.554 4.893 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 -1.944 52.910 54.840 0.025 0.000 0.812 730 L CB 0.515 42.587 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 -0.501 176.805 177.300 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 2.501 125.324 122.820 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 0.824 123.635 122.820 -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 0.577 52.595 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 0.381 115.990 115.700 -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 0.895 64.039 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 0.492 175.828 175.328 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 0.789 123.661 122.820 0.087 0.000 2.599 736 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 736 A C -0.911 176.699 177.584 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 -1.978 118.619 120.570 0.045 0.000 3.002 737 I HA 0.838 5.008 4.170 -0.000 0.000 0.310 737 I C -2.868 173.291 176.117 0.069 0.000 1.087 737 I CA -2.755 58.569 61.300 0.040 0.000 1.017 737 I CB 2.108 40.122 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 63.365 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 1.458 120.560 119.070 0.054 0.000 2.539 739 H HA 0.388 4.944 4.556 -0.000 0.000 0.332 739 H C -0.988 174.370 175.328 0.050 0.000 1.031 739 H CA -1.049 55.023 56.048 0.040 0.000 1.206 739 H CB 0.945 30.732 29.762 0.042 0.000 1.446 739 H HN 0.205 nan 8.280 nan 0.000 0.496 740 L N 4.242 125.340 121.223 -0.208 0.000 2.421 740 L HA 0.370 4.710 4.340 -0.000 0.000 0.263 740 L C -0.599 176.080 176.870 -0.318 0.000 1.122 740 L CA 0.278 54.981 54.840 -0.228 0.000 0.804 740 L CB 1.655 43.643 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 -0.942 173.814 174.700 0.094 0.000 1.014 741 T CA -0.434 61.634 62.100 -0.053 0.000 1.056 741 T CB 0.906 69.722 68.868 -0.087 0.000 1.090 741 T HN 0.714 nan 8.240 nan 0.000 0.460 742 T N 2.888 117.517 114.554 0.125 0.000 2.799 742 T HA 0.652 5.002 4.350 -0.000 0.000 0.286 742 T C 0.292 175.051 174.700 0.098 0.000 0.973 742 T CA -0.391 61.835 62.100 0.211 0.000 1.035 742 T CB 1.410 70.421 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 0.915 175.492 174.600 -0.038 0.000 1.098 743 S CA -0.615 57.589 58.200 0.005 0.000 0.903 743 S CB 1.577 64.778 63.200 0.000 0.000 1.310 743 S HN 0.728 nan 8.310 nan 0.000 0.581 744 E N -0.613 119.559 120.200 -0.047 0.000 2.216 744 E HA 0.101 4.451 4.350 -0.000 0.000 0.192 744 E C 1.533 178.063 176.600 -0.116 0.000 0.973 744 E CA 0.371 56.731 56.400 -0.068 0.000 0.851 744 E CB 0.018 29.694 29.700 -0.039 0.000 0.804 744 E HN 0.529 nan 8.360 nan 0.000 0.477 745 M N 1.008 120.549 119.600 -0.097 0.000 2.476 745 M HA 0.107 4.587 4.480 -0.000 0.000 0.262 745 M C -0.173 176.045 176.300 -0.136 0.000 1.111 745 M CA 0.804 56.049 55.300 -0.093 0.000 1.127 745 M CB -0.522 32.055 32.600 -0.038 0.000 1.376 745 M HN 0.023 nan 8.290 nan 0.000 0.465 746 D N -1.716 118.581 120.400 -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 0.701 41.503 40.800 0.003 0.000 1.331 746 D HN -0.056 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 5.160 4.350 -0.000 0.000 0.270 750 E C -1.877 174.891 176.600 0.280 0.000 0.885 750 E CA -0.728 55.815 56.400 0.238 0.000 0.760 750 E CB 3.258 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 4.474 125.859 121.223 0.270 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 0.231 0.000 0.930 751 L CB 0.796 43.041 42.059 0.311 0.000 1.185 751 L HN 0.802 nan 8.230 nan 0.000 0.457 752 G N 3.526 112.374 108.800 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 0.875 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 0.008 4.747 4.740 -0.000 0.000 0.180 753 N C 0.840 176.285 175.510 -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 0.597 120.907 120.400 -0.150 0.000 2.350 754 K HA 0.270 4.590 4.320 -0.000 0.000 0.279 754 K C -0.113 176.264 176.600 -0.371 0.000 1.027 754 K CA -0.000 56.065 56.287 -0.370 0.000 0.969 754 K CB 1.037 33.239 32.500 -0.497 0.000 0.954 754 K HN 0.066 nan 8.250 nan 0.000 0.474 755 R N 1.858 122.064 120.500 -0.491 0.000 2.698 755 R HA 0.401 4.740 4.340 -0.000 0.000 0.275 755 R C -1.558 174.648 176.300 -0.156 0.000 1.001 755 R CA -0.668 55.337 56.100 -0.159 0.000 0.896 755 R CB 1.484 31.747 30.300 -0.061 0.000 1.218 755 R HN 0.592 nan 8.270 nan 0.000 0.462 756 W N 2.840 124.251 121.300 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 0.421 nan 8.180 nan 0.000 0.490 757 Q N 2.597 122.543 119.800 0.242 0.000 2.340 757 Q HA 0.488 4.828 4.340 -0.000 0.000 0.268 757 Q C -1.994 173.949 176.000 -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 2.763 122.802 119.950 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 -0.789 57.265 58.000 0.089 0.000 1.008 758 F CB 1.373 40.452 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 0.026 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 2.000 122.414 120.500 -0.144 0.000 2.276 760 R HA -0.029 4.311 4.340 -0.000 0.000 0.203 760 R C 1.222 177.442 176.300 -0.133 0.000 1.017 760 R CA 0.979 56.934 56.100 -0.243 0.000 1.010 760 R CB 0.310 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 -0.072 0.000 2.373 761 Q HA 0.034 4.374 4.340 -0.000 0.000 0.210 761 Q C 1.830 177.815 176.000 -0.026 0.000 0.913 761 Q CA 1.149 56.925 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 -0.298 115.406 115.700 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 0.317 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 0.562 109.296 108.800 -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 -0.144 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 -1.320 118.815 119.950 0.309 0.000 2.538 764 F HA 0.642 5.169 4.527 -0.000 0.000 0.325 764 F C 0.498 176.326 175.800 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 40.641 39.000 0.152 0.000 1.199 764 F HN 0.028 nan 8.300 nan 0.000 0.473 765 L N 1.803 123.086 121.223 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 0.413 42.169 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 0.141 4.611 4.470 -0.000 0.000 0.222 766 S C 0.275 174.772 174.600 -0.172 0.000 1.024 766 S CA 0.323 58.473 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 -0.127 119.519 119.800 -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 1.253 29.614 28.738 -0.627 0.000 1.476 767 Q HN 0.240 nan 8.270 nan 0.000 0.402 768 M N 0.868 120.014 119.600 -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 1.837 34.134 32.600 -0.504 0.000 1.715 768 M HN 0.541 nan 8.290 nan 0.000 0.478 769 W N 3.945 125.022 121.300 -0.371 0.000 2.761 769 W HA 0.673 5.333 4.660 -0.000 0.000 0.340 769 W C -1.400 174.914 176.519 -0.341 0.000 1.072 769 W CA -0.878 56.297 57.345 -0.282 0.000 1.215 769 W CB 2.007 31.332 29.460 -0.224 0.000 1.420 769 W HN 0.578 nan 8.180 nan 0.000 0.519 770 I N 2.769 123.344 120.570 0.007 0.000 2.448 770 I HA 0.401 4.571 4.170 -0.000 0.000 0.281 770 I C 0.728 176.839 176.117 -0.011 0.000 1.027 770 I CA 0.135 61.391 61.300 -0.074 0.000 1.111 770 I CB 1.081 39.008 38.000 -0.121 0.000 1.236 770 I HN 0.727 nan 8.210 nan 0.000 0.452 771 G N 5.839 114.628 108.800 -0.019 0.000 2.523 771 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.271 771 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.271 771 G C 0.248 175.168 174.900 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 0.777 121.214 120.400 0.062 0.000 2.431 772 D HA 0.233 4.873 4.640 -0.000 0.000 0.213 772 D C 0.622 177.061 176.300 0.232 0.000 1.130 772 D CA 0.132 54.203 54.000 0.119 0.000 0.834 772 D CB 0.314 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 1.162 121.660 120.400 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 1.621 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 2.201 122.490 120.400 -0.184 0.000 2.326 774 K HA 0.029 4.348 4.320 -0.000 0.000 0.275 774 K C 0.753 177.162 176.600 -0.318 0.000 1.018 774 K CA -0.191 55.792 56.287 -0.506 0.000 0.962 774 K CB 0.801 33.042 32.500 -0.431 0.000 0.953 774 K HN 0.443 nan 8.250 nan 0.000 0.475 775 Q N 1.367 120.950 119.800 -0.361 0.000 2.350 775 Q HA 0.193 4.533 4.340 -0.000 0.000 0.225 775 Q C 0.045 175.961 176.000 -0.140 0.000 0.878 775 Q CA 0.434 56.142 55.803 -0.158 0.000 0.935 775 Q CB 0.521 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 0.550 121.630 121.223 -0.238 0.000 2.354 776 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 776 L C 0.821 177.566 176.870 -0.209 0.000 1.005 776 L CA -0.468 54.259 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 -0.254 120.840 121.223 -0.215 0.000 2.513 777 L HA 0.275 4.614 4.340 -0.000 0.000 0.222 777 L C 0.325 177.082 176.870 -0.188 0.000 1.096 777 L CA 0.575 55.292 54.840 -0.204 0.000 0.857 777 L CB 0.260 42.185 42.059 -0.223 0.000 1.026 777 L HN 0.595 nan 8.230 nan 0.000 0.469 778 T N 0.001 114.429 114.554 -0.210 0.000 2.916 778 T HA 0.415 4.765 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 2.710 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 0.289 nan 4.420 nan 0.000 0.272 779 P C -0.798 176.459 177.300 -0.071 0.000 1.230 779 P CA -0.750 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 3.339 124.555 121.223 -0.011 0.000 2.313 780 L HA 0.306 4.645 4.340 -0.000 0.000 0.282 780 L C 0.439 177.218 176.870 -0.152 0.000 1.092 780 L CA 0.497 55.347 54.840 0.016 0.000 0.831 780 L CB -0.522 41.659 42.059 0.203 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 -1.193 174.957 176.300 -0.251 0.000 1.014 781 R CA -1.049 54.787 56.100 -0.439 0.000 0.904 781 R CB 0.527 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 1.053 121.339 120.400 -0.190 0.000 2.399 782 D HA 0.084 4.724 4.640 -0.000 0.000 0.241 782 D C -0.462 175.442 176.300 -0.661 0.000 1.133 782 D CA 0.464 54.215 54.000 -0.413 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 1.238 120.457 119.800 -0.968 0.000 2.305 783 Q HA 0.369 4.709 4.340 -0.000 0.000 0.271 783 Q C -1.194 174.061 176.000 -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 0.575 175.972 175.800 -0.673 0.000 1.102 784 F CA -0.216 57.334 58.000 -0.750 0.000 1.204 784 F CB 1.554 39.858 39.000 -1.160 0.000 1.052 784 F HN 0.455 nan 8.300 nan 0.000 0.551 785 T N -0.886 113.392 114.554 -0.461 0.000 2.907 785 T HA 0.760 5.110 4.350 -0.000 0.000 0.290 785 T C -0.598 173.863 174.700 -0.399 0.000 1.066 785 T CA -0.976 60.774 62.100 -0.585 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 -0.191 120.112 120.500 -0.328 0.000 2.771 786 R HA 0.757 5.097 4.340 -0.000 0.000 0.274 786 R C -0.907 175.449 176.300 0.093 0.000 0.987 786 R CA -1.185 54.852 56.100 -0.106 0.000 0.908 786 R CB 1.588 31.835 30.300 -0.088 0.000 1.213 786 R HN 0.832 nan 8.270 nan 0.000 0.468 787 A N 3.830 126.689 122.820 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 18.500 19.000 -0.026 0.000 1.081 787 A HN 0.566 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 0.555 63.804 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 2.202 123.494 121.223 0.115 0.000 2.454 789 L HA 0.236 4.576 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 -0.627 54.221 54.840 0.014 0.000 0.804 789 L CB 0.028 42.028 42.059 -0.099 0.000 1.181 789 L HN 0.275 nan 8.230 nan 0.000 0.469 790 D N 0.328 120.683 120.400 -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 1.446 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 1.007 119.653 118.700 -0.089 0.000 2.309 791 N HA -0.106 4.633 4.740 -0.000 0.000 0.182 791 N C 1.092 176.618 175.510 0.026 0.000 1.018 791 N CA 0.677 53.704 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 0.241 nan 8.380 nan 0.000 0.434 792 D N 0.138 120.564 120.400 0.044 0.000 2.277 792 D HA 0.062 4.701 4.640 -0.000 0.000 0.208 792 D C 1.875 178.229 176.300 0.089 0.000 0.962 792 D CA 0.350 54.411 54.000 0.102 0.000 0.865 792 D CB 0.276 41.193 40.800 0.195 0.000 0.939 792 D HN 0.340 nan 8.370 nan 0.000 0.510 793 I N -0.227 120.381 120.570 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 0.539 61.868 61.300 0.048 0.000 1.448 793 I CB -0.139 37.868 38.000 0.012 0.000 1.133 793 I HN 0.049 nan 8.210 nan 0.000 0.438 794 G N 1.631 110.478 108.800 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 0.685 175.758 174.900 0.289 0.000 1.189 794 G CA 0.946 46.156 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 1.038 63.397 62.300 0.099 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 1.349 117.074 115.700 0.043 0.000 2.498 796 S HA 0.332 4.802 4.470 -0.000 0.000 0.281 796 S C -0.085 174.529 174.600 0.024 0.000 1.265 796 S CA 0.064 58.274 58.200 0.016 0.000 1.071 796 S CB 0.358 63.564 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 0.737 177.349 176.600 0.020 0.000 0.940 797 E CA -0.291 56.121 56.400 0.021 0.000 0.819 797 E CB 1.333 31.039 29.700 0.011 0.000 1.206 797 E HN 0.639 nan 8.360 nan 0.000 0.409 798 A N 0.980 123.818 122.820 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 2.330 54.385 52.037 0.029 0.000 0.635 798 A CB -0.924 18.099 19.000 0.038 0.000 0.810 798 A HN 0.700 nan 8.150 nan 0.000 0.446 799 T N -2.573 111.991 114.554 0.017 0.000 2.851 799 T HA -0.006 4.343 4.350 -0.000 0.000 0.262 799 T C 1.146 175.846 174.700 -0.001 0.000 1.043 799 T CA 0.918 63.024 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 -0.757 175.533 176.300 -0.018 0.000 1.321 800 R CA -0.513 55.576 56.100 -0.018 0.000 1.283 800 R CB 0.176 30.457 30.300 -0.032 0.000 1.111 800 R HN 0.439 nan 8.270 nan 0.000 0.578 801 I N 2.232 122.795 120.570 -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 0.544 61.836 61.300 -0.013 0.000 1.426 801 I CB 0.731 38.727 38.000 -0.008 0.000 1.381 801 I HN 0.431 nan 8.210 nan 0.000 0.571 802 D N 9.401 129.784 120.400 -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 -2.305 51.669 54.000 -0.044 0.000 0.882 802 D CB 1.349 42.128 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 0.489 177.695 177.300 -0.156 0.000 1.146 803 P CA 0.698 63.740 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 -0.457 118.144 118.700 -0.164 0.000 2.373 804 N HA 0.081 4.820 4.740 -0.000 0.000 0.181 804 N C 0.804 176.114 175.510 -0.333 0.000 1.082 804 N CA 0.074 52.975 53.050 -0.249 0.000 0.885 804 N CB 0.020 38.386 38.487 -0.201 0.000 0.977 804 N HN 0.083 nan 8.380 nan 0.000 0.462 805 A N 0.353 123.039 122.820 -0.223 0.000 2.498 805 A HA 0.028 4.348 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 0.003 18.957 19.000 -0.077 0.000 1.003 805 A HN 0.319 nan 8.150 nan 0.000 0.497 806 W N 1.869 122.921 121.300 -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 -0.965 0.000 1.241 806 W CA 1.942 58.774 57.345 -0.854 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 0.772 120.557 119.914 -0.216 0.000 2.392 807 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 807 V C 2.210 178.380 176.094 0.126 0.000 1.059 807 V CA 2.176 64.567 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 0.030 120.217 120.200 -0.020 0.000 2.106 808 E HA -0.160 4.190 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 1.146 57.535 56.400 -0.019 0.000 0.806 808 E CB -0.348 29.318 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 4.254 4.340 -0.000 0.000 0.228 809 R C 2.227 178.481 176.300 -0.076 0.000 1.110 809 R CA 0.843 56.822 56.100 -0.201 0.000 0.973 809 R CB -0.214 29.843 30.300 -0.406 0.000 0.869 809 R HN 0.264 nan 8.270 nan 0.000 0.440 810 W N 1.865 123.139 121.300 -0.044 0.000 2.381 810 W HA -0.004 4.656 4.660 -0.000 0.000 0.301 810 W C 2.006 178.492 176.519 -0.055 0.000 1.205 810 W CA 0.366 57.581 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 0.154 120.801 120.400 0.412 0.000 2.009 811 K HA -0.139 4.180 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 58.391 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 0.954 123.830 122.820 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 -1.931 120.895 122.820 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 53.226 52.037 0.031 0.000 0.804 813 A CB -0.735 18.258 19.000 -0.012 0.000 0.834 813 A HN 1.839 nan 8.150 nan 0.000 0.482 814 G N -1.408 107.287 108.800 -0.175 0.000 2.132 814 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.234 814 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.234 814 G C 0.543 175.415 174.900 -0.047 0.000 0.989 814 G CA 0.618 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 -1.508 117.534 119.070 -0.047 0.000 2.387 815 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 815 H C 2.174 177.464 175.328 -0.064 0.000 1.099 815 H CA 1.574 57.594 56.048 -0.048 0.000 1.315 815 H CB 0.104 29.761 29.762 -0.174 0.000 1.380 815 H HN 0.621 nan 8.280 nan 0.000 0.513 816 Y N 0.793 121.204 120.300 0.184 0.000 2.516 816 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 816 Y C 1.936 177.905 175.900 0.115 0.000 1.131 816 Y CA 0.655 58.827 58.100 0.120 0.000 1.281 816 Y CB 0.387 38.906 38.460 0.098 0.000 1.013 816 Y HN 0.351 nan 8.280 nan 0.000 0.554 817 Q N -0.491 119.446 119.800 0.228 0.000 2.110 817 Q HA 0.466 4.806 4.340 -0.000 0.000 0.232 817 Q C -0.047 176.107 176.000 0.258 0.000 0.810 817 Q CA -0.343 55.590 55.803 0.217 0.000 1.083 817 Q CB 0.474 29.327 28.738 0.193 0.000 1.193 817 Q HN 0.130 nan 8.270 nan 0.000 0.471 818 A N 1.247 124.235 122.820 0.281 0.000 2.386 818 A HA 0.312 4.631 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 -0.181 52.080 52.037 0.373 0.000 0.789 818 A CB 0.481 19.726 19.000 0.408 0.000 1.025 818 A HN 0.289 nan 8.150 nan 0.000 0.490 819 E N 0.780 121.182 120.200 0.336 0.000 2.134 819 E HA 0.470 4.819 4.350 -0.000 0.000 0.278 819 E C -0.136 176.440 176.600 -0.040 0.000 0.959 819 E CA -0.208 56.302 56.400 0.185 0.000 0.783 819 E CB 1.696 31.474 29.700 0.131 0.000 1.095 819 E HN 0.717 nan 8.360 nan 0.000 0.399 820 A N 2.462 125.144 122.820 -0.230 0.000 2.401 820 A HA 0.578 4.898 4.320 -0.000 0.000 0.259 820 A C -0.174 177.249 177.584 -0.268 0.000 1.103 820 A CA -0.128 51.498 52.037 -0.685 0.000 0.789 820 A CB 0.479 19.098 19.000 -0.635 0.000 1.035 820 A HN 0.546 nan 8.150 nan 0.000 0.491 821 A N 2.317 124.977 122.820 -0.267 0.000 2.343 821 A HA 0.579 4.899 4.320 -0.000 0.000 0.308 821 A C -0.642 176.869 177.584 -0.121 0.000 1.092 821 A CA -0.552 51.416 52.037 -0.116 0.000 0.751 821 A CB 0.732 19.686 19.000 -0.077 0.000 1.203 821 A HN 1.329 nan 8.150 nan 0.000 0.452 822 L N 3.188 124.328 121.223 -0.137 0.000 2.410 822 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 822 L C 0.369 177.112 176.870 -0.212 0.000 1.144 822 L CA 0.321 54.980 54.840 -0.301 0.000 0.863 822 L CB 0.273 42.150 42.059 -0.303 0.000 1.140 822 L HN 0.782 nan 8.230 nan 0.000 0.463 823 L N 3.636 124.718 121.223 -0.236 0.000 2.470 823 L HA 0.289 4.629 4.340 -0.000 0.000 0.219 823 L C 0.289 177.092 176.870 -0.113 0.000 1.071 823 L CA 0.092 54.858 54.840 -0.122 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 3.544 122.827 119.300 -0.027 0.000 2.919 825 C HA 0.727 5.187 4.460 -0.000 0.000 0.337 825 C C -0.670 174.408 174.990 0.147 0.000 1.039 825 C CA 0.604 59.651 59.018 0.048 0.000 1.373 825 C CB 0.358 28.126 27.740 0.046 0.000 1.843 825 C HN 0.807 nan 8.230 nan 0.000 0.493 826 T N 2.538 117.122 114.554 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 -0.142 61.932 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 -1.188 176.172 177.584 -0.372 0.000 1.050 827 A CA -0.740 50.917 52.037 -0.635 0.000 0.724 827 A CB 1.415 19.644 19.000 -1.286 0.000 1.248 827 A HN 0.889 nan 8.150 nan 0.000 0.424 828 D N 0.694 120.927 120.400 -0.277 0.000 2.661 828 D HA 0.524 5.164 4.640 -0.000 0.000 0.228 828 D C -1.148 175.067 176.300 -0.140 0.000 1.183 828 D CA -0.009 53.888 54.000 -0.172 0.000 0.844 828 D CB 2.473 43.201 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 0.173 174.845 174.700 -0.046 0.000 0.994 829 T CA -0.579 61.482 62.100 -0.065 0.000 0.951 829 T CB 0.993 69.837 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 1.733 178.591 176.870 -0.019 0.000 1.072 830 L CA -0.411 54.411 54.840 -0.031 0.000 0.798 830 L CB 0.153 42.193 42.059 -0.033 0.000 1.307 830 L HN 0.708 nan 8.230 nan 0.000 0.475 831 A N -0.665 122.147 122.820 -0.013 0.000 2.016 831 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 831 A C 0.995 178.577 177.584 -0.003 0.000 1.162 831 A CA 1.476 53.510 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 0.853 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 0.402 176.692 176.300 -0.016 0.000 1.102 832 D CA 0.754 54.750 54.000 -0.007 0.000 0.840 832 D CB 0.592 41.389 40.800 -0.005 0.000 0.990 832 D HN 0.465 nan 8.370 nan 0.000 0.505 833 A N -0.357 122.447 122.820 -0.026 0.000 2.467 833 A HA 0.598 4.918 4.320 -0.000 0.000 0.301 833 A C -1.761 175.787 177.584 -0.060 0.000 1.126 833 A CA -0.766 51.244 52.037 -0.044 0.000 0.632 833 A CB 0.676 19.646 19.000 -0.050 0.000 1.331 833 A HN -0.048 nan 8.150 nan 0.000 0.482 834 V N 0.328 120.187 119.914 -0.092 0.000 2.547 834 V HA 0.680 4.800 4.120 -0.000 0.000 0.299 834 V C -0.840 175.171 176.094 -0.140 0.000 1.040 834 V CA -0.430 61.798 62.300 -0.120 0.000 0.913 834 V CB 1.339 33.079 31.823 -0.139 0.000 0.992 834 V HN 0.844 nan 8.190 nan 0.000 0.449 835 L N 5.931 127.062 121.223 -0.152 0.000 2.376 835 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 835 L C -0.912 175.836 176.870 -0.204 0.000 0.987 835 L CA -0.008 54.748 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 3.618 124.071 120.570 -0.195 0.000 2.474 836 I HA 0.513 4.683 4.170 -0.000 0.000 0.294 836 I C -0.163 175.935 176.117 -0.031 0.000 1.005 836 I CA -0.372 60.771 61.300 -0.261 0.000 1.113 836 I CB 1.840 39.483 38.000 -0.594 0.000 1.289 836 I HN 0.526 nan 8.210 nan 0.000 0.436 837 T N 4.183 118.714 114.554 -0.039 0.000 2.881 837 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 1.000 837 T CA -0.488 61.637 62.100 0.041 0.000 0.978 837 T CB 1.874 70.738 68.868 -0.006 0.000 0.997 837 T HN 0.825 nan 8.240 nan 0.000 0.443 838 T N -0.224 114.409 114.554 0.133 0.000 2.906 838 T HA 0.900 5.250 4.350 -0.000 0.000 0.295 838 T C -1.157 173.592 174.700 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 0.770 nan 8.240 nan 0.000 0.498 839 A N 1.476 124.263 122.820 -0.055 0.000 2.459 839 A HA 0.757 5.077 4.320 -0.000 0.000 0.296 839 A C -1.455 176.040 177.584 -0.148 0.000 1.039 839 A CA -0.779 51.273 52.037 0.025 0.000 0.698 839 A CB 0.840 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 -0.069 175.293 175.328 0.056 0.000 1.165 840 H CA 0.204 56.229 56.048 -0.038 0.000 1.154 840 H CB 2.153 31.784 29.762 -0.220 0.000 1.765 840 H HN 1.005 nan 8.280 nan 0.000 0.549 841 A N 1.569 124.418 122.820 0.047 0.000 2.371 841 A HA 0.448 4.767 4.320 -0.000 0.000 0.311 841 A C -1.404 176.216 177.584 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 2.047 123.456 121.300 0.181 0.000 2.349 842 W HA 0.430 5.090 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 57.272 57.345 0.163 0.000 1.224 842 W CB 1.652 31.272 29.460 0.266 0.000 1.256 842 W HN 0.776 nan 8.180 nan 0.000 0.461 843 Q N 1.657 121.593 119.800 0.226 0.000 2.458 843 Q HA 0.463 4.803 4.340 -0.000 0.000 0.282 843 Q C -0.945 175.191 176.000 0.228 0.000 1.106 843 Q CA -0.944 54.951 55.803 0.154 0.000 0.814 843 Q CB 3.548 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 1.066 120.168 119.070 0.053 0.000 3.224 844 H HA 0.071 4.626 4.556 -0.000 0.000 0.331 844 H C -1.010 174.347 175.328 0.049 0.000 1.002 844 H CA -0.062 56.027 56.048 0.068 0.000 1.473 844 H CB 1.026 30.839 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 0.971 176.902 176.000 -0.116 0.000 1.295 845 Q CA 1.253 56.870 55.803 -0.311 0.000 0.853 845 Q CB -1.314 27.162 28.738 -0.436 0.000 1.193 845 Q HN 1.194 nan 8.270 nan 0.000 0.461 846 G N -0.393 108.374 108.800 -0.056 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 0.073 174.975 174.900 0.003 0.000 1.010 846 G CA 0.367 45.456 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 -0.286 176.326 176.600 0.019 0.000 0.995 847 K CA -0.056 56.243 56.287 0.022 0.000 0.890 847 K CB 0.793 33.312 32.500 0.032 0.000 1.073 847 K HN 0.016 nan 8.250 nan 0.000 0.454 848 T N 5.832 120.388 114.554 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 -0.413 61.685 62.100 -0.004 0.000 0.997 848 T CB 0.363 69.248 68.868 0.027 0.000 0.917 848 T HN 0.536 nan 8.240 nan 0.000 0.487 849 L N 2.344 123.403 121.223 -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 0.968 55.369 54.840 -0.731 0.000 0.761 849 L CB -0.030 41.189 42.059 -1.400 0.000 0.921 849 L HN 0.514 nan 8.230 nan 0.000 0.444 850 F N -1.389 118.523 119.950 -0.064 0.000 2.626 850 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 850 F C -0.508 175.399 175.800 0.179 0.000 1.088 850 F CA -0.885 57.044 58.000 -0.119 0.000 0.949 850 F CB 1.929 40.532 39.000 -0.661 0.000 1.322 850 F HN -0.343 nan 8.300 nan 0.000 0.461 851 I N 1.364 122.178 120.570 0.407 0.000 2.533 851 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 851 I C -0.964 175.423 176.117 0.450 0.000 1.056 851 I CA -0.578 60.982 61.300 0.433 0.000 1.057 851 I CB 2.269 40.433 38.000 0.273 0.000 1.240 851 I HN 0.562 nan 8.210 nan 0.000 0.423 852 S N 6.718 122.777 115.700 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 0.778 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 3.562 124.228 120.500 0.276 0.000 2.437 853 R HA 0.555 4.895 4.340 -0.000 0.000 0.310 853 R C -0.643 175.732 176.300 0.124 0.000 0.955 853 R CA -0.769 55.449 56.100 0.198 0.000 0.851 853 R CB 1.853 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 0.673 121.137 120.400 0.106 0.000 2.378 854 K HA 0.538 4.857 4.320 -0.000 0.000 0.244 854 K C -0.664 175.906 176.600 -0.051 0.000 1.039 854 K CA -0.956 55.307 56.287 -0.040 0.000 0.863 854 K CB 2.393 34.807 32.500 -0.143 0.000 1.326 854 K HN 0.616 nan 8.250 nan 0.000 0.460 855 T N -1.394 113.051 114.554 -0.182 0.000 2.952 855 T HA 0.532 4.882 4.350 -0.000 0.000 0.305 855 T C -1.457 173.130 174.700 -0.189 0.000 1.064 855 T CA -0.772 61.276 62.100 -0.087 0.000 1.008 855 T CB 0.419 69.269 68.868 -0.029 0.000 1.078 855 T HN 0.412 nan 8.240 nan 0.000 0.459 856 Y N 1.121 121.405 120.300 -0.028 0.000 2.350 856 Y HA 0.717 5.267 4.550 -0.000 0.000 0.338 856 Y C 0.394 176.240 175.900 -0.090 0.000 0.961 856 Y CA -1.113 56.978 58.100 -0.014 0.000 1.100 856 Y CB 2.093 40.572 38.460 0.032 0.000 1.179 856 Y HN 0.817 nan 8.280 nan 0.000 0.454 857 R N 4.079 124.619 120.500 0.066 0.000 2.451 857 R HA 0.677 5.017 4.340 -0.000 0.000 0.307 857 R C -1.993 174.261 176.300 -0.076 0.000 0.965 857 R CA -0.405 55.681 56.100 -0.023 0.000 0.865 857 R CB 0.689 30.982 30.300 -0.012 0.000 1.174 857 R HN 0.810 nan 8.270 nan 0.000 0.455 858 I N 5.240 125.711 120.570 -0.165 0.000 2.330 858 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 858 I C -0.257 175.756 176.117 -0.173 0.000 1.001 858 I CA -0.787 60.348 61.300 -0.274 0.000 1.193 858 I CB 1.376 39.041 38.000 -0.559 0.000 1.345 858 I HN 0.705 nan 8.210 nan 0.000 0.461 859 D N 4.439 124.772 120.400 -0.113 0.000 2.549 859 D HA 0.230 4.870 4.640 -0.000 0.000 0.270 859 D C 1.261 177.543 176.300 -0.031 0.000 1.181 859 D CA -0.790 53.176 54.000 -0.056 0.000 1.070 859 D CB 0.876 41.659 40.800 -0.028 0.000 1.154 859 D HN 0.474 nan 8.370 nan 0.000 0.602 860 G N -1.373 107.418 108.800 -0.014 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 1.091 175.992 174.900 0.002 0.000 1.132 860 G CA 0.943 46.044 45.100 0.000 0.000 0.782 860 G HN 0.533 nan 8.290 nan 0.000 0.538 861 S N -1.214 114.488 115.700 0.003 0.000 2.575 861 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 861 S C 1.747 176.385 174.600 0.063 0.000 0.966 861 S CA 0.882 59.090 58.200 0.014 0.000 0.911 861 S CB 0.138 63.341 63.200 0.005 0.000 0.780 861 S HN 1.381 nan 8.310 nan 0.000 0.514 862 G N 0.650 109.507 108.800 0.094 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 -0.251 174.767 174.900 0.197 0.000 0.981 862 G CA 0.045 45.276 45.100 0.218 0.000 0.665 862 G HN 0.602 nan 8.290 nan 0.000 0.528 863 Q N -0.494 119.357 119.800 0.084 0.000 2.241 863 Q HA 0.667 5.007 4.340 -0.000 0.000 0.254 863 Q C 0.147 176.157 176.000 0.017 0.000 0.917 863 Q CA -0.400 55.455 55.803 0.087 0.000 0.919 863 Q CB 1.598 30.382 28.738 0.077 0.000 1.237 863 Q HN 0.417 nan 8.270 nan 0.000 0.434 864 M N 2.130 121.771 119.600 0.069 0.000 2.114 864 M HA 0.557 5.036 4.480 -0.000 0.000 0.332 864 M C -1.501 174.887 176.300 0.146 0.000 1.014 864 M CA -0.513 54.807 55.300 0.034 0.000 0.956 864 M CB 1.089 33.706 32.600 0.027 0.000 1.551 864 M HN 0.710 nan 8.290 nan 0.000 0.427 865 A N 6.829 129.709 122.820 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 0.509 19.549 19.000 0.068 0.000 1.179 865 A HN 0.917 nan 8.150 nan 0.000 0.504 866 I N 1.539 122.138 120.570 0.048 0.000 2.474 866 I HA 0.433 4.603 4.170 -0.000 0.000 0.294 866 I C -0.133 175.888 176.117 -0.160 0.000 1.005 866 I CA -0.303 60.937 61.300 -0.099 0.000 1.113 866 I CB 2.458 40.424 38.000 -0.056 0.000 1.289 866 I HN 0.507 nan 8.210 nan 0.000 0.436 867 T N 5.226 119.634 114.554 -0.244 0.000 2.841 867 T HA 0.543 4.893 4.350 -0.000 0.000 0.285 867 T C -0.636 173.862 174.700 -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 70.545 68.868 -0.090 0.000 0.962 867 T HN 0.216 nan 8.240 nan 0.000 0.438 868 V N 4.014 123.599 119.914 -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 61.104 62.300 -0.482 0.000 0.873 868 V CB 2.044 33.326 31.823 -0.901 0.000 0.992 868 V HN 0.831 nan 8.190 nan 0.000 0.428 869 D N 3.300 123.701 120.400 0.003 0.000 2.549 869 D HA 0.520 5.160 4.640 -0.000 0.000 0.251 869 D C -1.053 175.374 176.300 0.213 0.000 1.153 869 D CA -0.104 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 0.268 nan 8.370 nan 0.000 0.543 870 V N 2.193 122.271 119.914 0.273 0.000 2.628 870 V HA 0.351 4.471 4.120 -0.000 0.000 0.306 870 V C 0.047 176.291 176.094 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 0.338 0.000 0.997 870 V HN 0.374 nan 8.190 nan 0.000 0.436 871 E N 2.176 122.511 120.200 0.226 0.000 2.222 871 E HA 0.635 4.985 4.350 -0.000 0.000 0.267 871 E C -1.610 175.115 176.600 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 32.448 29.700 0.151 0.000 1.169 871 E HN 0.412 nan 8.360 nan 0.000 0.413 872 V N 2.077 122.115 119.914 0.207 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 61.514 62.300 0.242 0.000 0.848 872 V CB 1.446 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 3.524 126.399 122.820 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 52.729 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 1.376 nan 8.150 nan 0.000 0.504 874 S N 1.397 117.161 115.700 0.107 0.000 2.442 874 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 874 S C 0.846 175.524 174.600 0.130 0.000 1.007 874 S CA 1.350 59.631 58.200 0.135 0.000 0.965 874 S CB -0.264 62.994 63.200 0.097 0.000 0.773 874 S HN 0.815 nan 8.310 nan 0.000 0.504 875 D N 0.166 120.619 120.400 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 -0.074 53.965 54.000 0.064 0.000 0.834 875 D CB -0.261 40.563 40.800 0.040 0.000 0.953 875 D HN 0.282 nan 8.370 nan 0.000 0.505 876 T N 1.271 115.890 114.554 0.110 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 -1.992 60.202 62.100 0.157 0.000 1.051 876 T CB 1.321 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 -0.478 177.111 177.300 0.480 0.000 1.193 877 P CA -0.130 63.061 63.100 0.152 0.000 0.765 877 P CB 0.141 31.922 31.700 0.134 0.000 0.823 878 H N 3.212 122.642 119.070 0.600 0.000 3.001 878 H HA 0.079 4.635 4.556 -0.000 0.000 0.334 878 H C -1.838 173.846 175.328 0.594 0.000 1.034 878 H CA -1.521 54.829 56.048 0.505 0.000 1.420 878 H CB -0.877 29.125 29.762 0.399 0.000 1.405 878 H HN 0.333 nan 8.280 nan 0.000 0.593 879 P HA 0.095 nan 4.420 nan 0.000 0.274 879 P C 0.335 177.552 177.300 -0.137 0.000 1.231 879 P CA -0.331 62.836 63.100 0.112 0.000 0.790 879 P CB 0.833 32.466 31.700 -0.110 0.000 0.951 880 A N 3.266 125.761 122.820 -0.541 0.000 1.969 880 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 880 A C 1.058 178.275 177.584 -0.613 0.000 1.169 880 A CA 1.415 53.096 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 0.716 5.056 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 0.666 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 1.273 121.639 120.570 -0.339 0.000 2.517 882 I HA 0.632 4.802 4.170 -0.000 0.000 0.280 882 I C -0.444 175.434 176.117 -0.399 0.000 1.061 882 I CA -0.375 60.740 61.300 -0.309 0.000 1.091 882 I CB 1.838 39.724 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 -1.722 172.979 174.900 -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 0.757 121.839 121.223 -0.236 0.000 2.333 884 L HA 0.661 5.001 4.340 -0.000 0.000 0.263 884 L C -0.748 176.004 176.870 -0.196 0.000 1.014 884 L CA -1.141 53.586 54.840 -0.188 0.000 0.820 884 L CB 2.534 44.550 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 -0.600 52.405 53.050 -0.076 0.000 0.819 885 N CB 2.252 40.724 38.487 -0.026 0.000 1.521 885 N HN 0.864 nan 8.380 nan 0.000 0.497 886 C N -1.617 117.704 119.300 0.035 0.000 3.292 886 C HA 0.573 5.033 4.460 -0.000 0.000 0.338 886 C C -1.232 173.606 174.990 -0.254 0.000 1.323 886 C CA -0.879 58.113 59.018 -0.044 0.000 1.232 886 C CB 0.936 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 1.451 120.891 119.800 -0.600 0.000 2.368 887 Q HA 0.655 4.995 4.340 -0.000 0.000 0.256 887 Q C -0.985 174.723 176.000 -0.485 0.000 0.980 887 Q CA -0.420 54.780 55.803 -1.006 0.000 0.887 887 Q CB 0.817 28.610 28.738 -1.575 0.000 1.221 887 Q HN 0.762 nan 8.270 nan 0.000 0.458 888 L N 2.573 123.607 121.223 -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 0.855 42.955 42.059 0.067 0.000 1.125 888 L HN 0.810 nan 8.230 nan 0.000 0.452 889 A N 1.976 124.746 122.820 -0.083 0.000 1.930 889 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 889 A C 1.173 178.730 177.584 -0.044 0.000 1.175 889 A CA 0.762 52.746 52.037 -0.087 0.000 0.627 889 A CB -0.287 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 0.434 4.774 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 0.367 56.174 55.803 0.006 0.000 0.901 890 Q CB 0.844 29.607 28.738 0.042 0.000 1.259 890 Q HN 0.166 nan 8.270 nan 0.000 0.489 891 V N 2.556 122.457 119.914 -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 1.161 32.997 31.823 0.021 0.000 1.009 891 V HN 0.928 nan 8.190 nan 0.000 0.429 892 A N 3.202 125.931 122.820 -0.151 0.000 2.347 892 A HA 0.911 5.231 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 -0.311 51.600 52.037 -0.211 0.000 0.860 892 A CB 1.567 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 -0.154 120.060 120.200 0.023 0.000 2.102 893 E HA 0.093 4.443 4.350 -0.000 0.000 0.190 893 E C 0.393 177.074 176.600 0.135 0.000 0.971 893 E CA 1.071 57.516 56.400 0.075 0.000 0.821 893 E CB 0.170 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 -0.573 120.022 120.500 0.158 0.000 2.854 894 R HA 0.591 4.931 4.340 -0.000 0.000 0.271 894 R C -1.099 175.395 176.300 0.323 0.000 0.996 894 R CA -0.928 55.295 56.100 0.204 0.000 0.961 894 R CB 2.332 32.716 30.300 0.141 0.000 1.182 894 R HN -0.179 nan 8.270 nan 0.000 0.479 895 V N 1.891 122.003 119.914 0.330 0.000 2.531 895 V HA 0.359 4.479 4.120 -0.000 0.000 0.301 895 V C -0.432 175.938 176.094 0.460 0.000 1.034 895 V CA -0.909 61.624 62.300 0.389 0.000 0.865 895 V CB 1.818 33.823 31.823 0.303 0.000 0.995 895 V HN 0.696 nan 8.190 nan 0.000 0.424 896 N N 4.133 123.089 118.700 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 0.454 0.000 1.040 896 N CA -0.422 52.846 53.050 0.364 0.000 0.840 896 N CB 2.945 41.539 38.487 0.178 0.000 1.468 896 N HN 0.826 nan 8.380 nan 0.000 0.478 897 W N 3.077 124.434 121.300 0.094 0.000 3.137 897 W HA 0.589 5.249 4.660 -0.000 0.000 0.324 897 W C -2.182 174.333 176.519 -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 30.241 29.460 0.131 0.000 1.424 897 W HN 0.261 nan 8.180 nan 0.000 0.566 898 L N 3.972 125.200 121.223 0.008 0.000 2.318 898 L HA 0.933 5.273 4.340 -0.000 0.000 0.277 898 L C -0.036 176.764 176.870 -0.116 0.000 1.008 898 L CA 0.368 55.038 54.840 -0.282 0.000 0.846 898 L CB 0.836 42.782 42.059 -0.189 0.000 1.220 898 L HN 1.046 nan 8.230 nan 0.000 0.423 899 G N 3.720 112.354 108.800 -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 -1.647 173.391 174.900 0.229 0.000 1.246 899 G CA -1.034 44.128 45.100 0.104 0.000 0.889 899 G HN 0.442 nan 8.290 nan 0.000 0.486 900 L N 1.035 122.476 121.223 0.364 0.000 2.380 900 L HA 0.623 4.963 4.340 -0.000 0.000 0.273 900 L C 1.054 178.026 176.870 0.171 0.000 1.138 900 L CA 0.672 55.663 54.840 0.252 0.000 0.832 900 L CB 0.731 42.866 42.059 0.127 0.000 1.124 900 L HN 1.152 nan 8.230 nan 0.000 0.454 901 G N 2.704 111.390 108.800 -0.189 0.000 2.427 901 G HA2 0.286 4.246 3.960 -0.000 0.000 0.306 901 G HA3 0.286 4.246 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 0.122 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 0.569 120.166 119.800 -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 -0.533 55.148 55.803 -0.204 0.000 0.936 903 Q CB 0.665 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 1.457 121.552 120.200 -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 3.050 121.595 118.700 -0.260 0.000 2.264 905 N HA 0.335 5.075 4.740 -0.000 0.000 0.288 905 N C -1.805 173.478 175.510 -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 0.051 120.251 120.300 -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 -0.191 0.000 1.121 906 Y CB 1.792 40.133 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 -0.181 0.000 1.150 907 P CA 2.007 65.117 63.100 0.016 0.000 0.843 907 P CB 0.208 32.004 31.700 0.158 0.000 0.787 908 D N -2.272 117.843 120.400 -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 53.534 54.000 -0.733 0.000 0.834 908 D CB -0.179 39.879 40.800 -1.237 0.000 0.953 908 D HN 0.112 nan 8.370 nan 0.000 0.505 909 R N 1.058 121.512 120.500 -0.076 0.000 2.684 909 R HA 0.201 4.540 4.340 -0.000 0.000 0.252 909 R C -0.642 175.686 176.300 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 -1.751 119.510 121.223 0.062 0.000 3.520 910 L HA 0.326 4.666 4.340 -0.000 0.000 0.323 910 L C 1.280 178.209 176.870 0.098 0.000 1.246 910 L CA 0.084 54.959 54.840 0.059 0.000 1.085 910 L CB 0.191 42.268 42.059 0.029 0.000 1.477 910 L HN 0.093 nan 8.230 nan 0.000 0.624 911 T N -2.592 112.047 114.554 0.141 0.000 2.915 911 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 911 T C 1.738 176.529 174.700 0.152 0.000 1.071 911 T CA 1.296 63.505 62.100 0.182 0.000 1.132 911 T CB -0.277 68.736 68.868 0.241 0.000 0.878 911 T HN 0.399 nan 8.240 nan 0.000 0.479 912 A N 1.395 124.308 122.820 0.154 0.000 2.119 912 A HA 0.662 4.981 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 0.545 52.640 52.037 0.096 0.000 0.708 912 A CB -0.902 18.250 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 -0.669 52.583 54.000 -1.246 0.000 0.930 916 D CB 2.249 42.265 40.800 -1.307 0.000 1.451 916 D HN 0.634 nan 8.370 nan 0.000 0.555 917 R N 0.546 120.205 120.500 -1.403 0.000 2.229 917 R HA 0.474 4.814 4.340 -0.000 0.000 0.332 917 R C -1.262 174.230 176.300 -1.346 0.000 0.989 917 R CA -0.452 54.965 56.100 -1.139 0.000 0.842 917 R CB 0.485 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 2.583 123.334 121.300 -0.915 0.000 2.639 918 W HA 0.417 5.077 4.660 -0.000 0.000 0.347 918 W C -0.407 175.713 176.519 -0.664 0.000 1.067 918 W CA -0.663 56.098 57.345 -0.973 0.000 1.218 918 W CB 1.501 29.914 29.460 -1.744 0.000 1.393 918 W HN 0.314 nan 8.180 nan 0.000 0.557 919 D N 2.674 123.016 120.400 -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 41.904 40.800 0.019 0.000 1.317 919 D HN 0.365 nan 8.370 nan 0.000 0.577 920 L N 2.562 123.953 121.223 0.280 0.000 2.341 920 L HA 0.567 4.907 4.340 -0.000 0.000 0.254 920 L C -2.517 174.479 176.870 0.209 0.000 1.040 920 L CA -2.201 52.778 54.840 0.233 0.000 0.837 920 L CB 2.578 44.809 42.059 0.286 0.000 1.425 920 L HN 0.136 nan 8.230 nan 0.000 0.414 921 P HA 0.146 nan 4.420 nan 0.000 0.282 921 P C 0.455 177.839 177.300 0.139 0.000 1.249 921 P CA -0.465 62.714 63.100 0.132 0.000 0.806 921 P CB 1.098 32.854 31.700 0.094 0.000 0.984 922 L N 3.468 124.777 121.223 0.144 0.000 2.089 922 L HA -0.280 4.060 4.340 -0.000 0.000 0.213 922 L C 2.092 179.020 176.870 0.096 0.000 1.079 922 L CA 2.674 57.590 54.840 0.127 0.000 0.758 922 L CB -1.415 40.734 42.059 0.151 0.000 0.891 922 L HN 0.409 nan 8.230 nan 0.000 0.433 923 S N -1.712 114.045 115.700 0.095 0.000 2.400 923 S HA -0.187 4.283 4.470 -0.000 0.000 0.232 923 S C 1.597 176.268 174.600 0.119 0.000 1.025 923 S CA 1.219 59.483 58.200 0.107 0.000 0.993 923 S CB -0.782 62.470 63.200 0.087 0.000 0.808 923 S HN 0.522 nan 8.310 nan 0.000 0.478 924 D N 1.243 121.695 120.400 0.086 0.000 2.348 924 D HA 0.094 4.734 4.640 -0.000 0.000 0.216 924 D C 1.197 177.511 176.300 0.023 0.000 0.970 924 D CA 0.605 54.637 54.000 0.053 0.000 0.889 924 D CB -0.162 40.674 40.800 0.060 0.000 0.912 924 D HN 0.411 nan 8.370 nan 0.000 0.524 925 M N -0.289 119.334 119.600 0.039 0.000 2.505 925 M HA 0.087 4.566 4.480 -0.000 0.000 0.230 925 M C -0.164 176.155 176.300 0.033 0.000 1.153 925 M CA -0.054 55.227 55.300 -0.031 0.000 0.997 925 M CB -0.805 31.764 32.600 -0.052 0.000 1.606 925 M HN -0.046 nan 8.290 nan 0.000 0.481 926 Y N -0.042 120.221 120.300 -0.062 0.000 2.376 926 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 926 Y C -0.862 174.974 175.900 -0.108 0.000 0.965 926 Y CA -0.690 57.382 58.100 -0.046 0.000 1.078 926 Y CB 1.463 39.957 38.460 0.057 0.000 1.193 926 Y HN -0.097 nan 8.280 nan 0.000 0.452 927 T N 8.878 122.923 114.554 -0.848 0.000 2.788 927 T HA 0.279 4.628 4.350 -0.000 0.000 0.296 927 T C -2.705 171.199 174.700 -1.327 0.000 1.009 927 T CA -1.515 60.009 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 30.657 31.700 -0.453 0.000 1.936 929 Y N -0.323 119.880 120.300 -0.162 0.000 2.526 929 Y HA -0.078 4.472 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 -0.511 57.568 58.100 -0.035 0.000 1.419 929 Y CB 0.602 38.983 38.460 -0.131 0.000 1.250 929 Y HN -0.108 nan 8.280 nan 0.000 0.540 930 V N 3.754 123.871 119.914 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 1.598 64.078 62.300 0.301 0.000 1.049 930 V CB -0.573 31.469 31.823 0.366 0.000 0.651 930 V HN 0.603 nan 8.190 nan 0.000 0.450 931 F N 3.238 123.221 119.950 0.055 0.000 2.361 931 F HA 0.525 5.052 4.527 -0.000 0.000 0.364 931 F C -2.417 173.373 175.800 -0.015 0.000 1.120 931 F CA -3.283 54.695 58.000 -0.037 0.000 1.102 931 F CB 0.922 39.787 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 -1.116 175.895 177.300 -0.481 0.000 1.228 932 P CA -0.089 62.767 63.100 -0.406 0.000 0.786 932 P CB 1.485 32.988 31.700 -0.328 0.000 0.927 933 S N -0.401 115.196 115.700 -0.172 0.000 2.703 933 S HA 0.420 4.889 4.470 -0.000 0.000 0.273 933 S C -0.828 173.761 174.600 -0.019 0.000 1.178 933 S CA -0.934 57.208 58.200 -0.097 0.000 0.838 933 S CB 0.300 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 1.600 120.375 118.700 0.125 0.000 3.116 935 N HA 0.534 5.274 4.740 -0.000 0.000 0.244 935 N C 0.298 175.859 175.510 0.086 0.000 1.485 935 N CA -0.618 52.541 53.050 0.181 0.000 0.884 935 N CB 0.794 39.370 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 -0.168 174.492 174.900 -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 1.298 122.214 121.223 -0.512 0.000 2.499 937 L HA 0.489 4.828 4.340 -0.000 0.000 0.281 937 L C 0.888 177.196 176.870 -0.936 0.000 1.234 937 L CA 0.498 54.797 54.840 -0.900 0.000 0.839 937 L CB 0.367 41.575 42.059 -1.418 0.000 1.104 937 L HN 0.355 nan 8.230 nan 0.000 0.500 938 R N 3.597 123.461 120.500 -1.061 0.000 2.575 938 R HA 0.478 4.818 4.340 -0.000 0.000 0.293 938 R C -1.193 174.742 176.300 -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 30.641 30.300 -0.891 0.000 1.184 938 R HN 0.549 nan 8.270 nan 0.000 0.445 939 C N -0.008 119.083 119.300 -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 0.359 59.258 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 2.172 110.956 108.800 -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 0.546 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 -0.337 114.140 114.554 -0.127 0.000 2.799 941 T HA 0.493 4.843 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 -0.527 61.462 62.100 -0.184 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 1.333 121.774 120.500 -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 56.261 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 0.952 121.221 120.200 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 -0.617 55.918 56.400 0.225 0.000 0.770 943 E CB 1.826 31.625 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 -0.376 54.614 54.840 0.250 0.000 0.822 944 L CB 1.795 43.840 42.059 -0.022 0.000 1.285 944 L HN 0.465 nan 8.230 nan 0.000 0.409 945 N N 4.488 123.374 118.700 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 0.615 nan 8.380 nan 0.000 0.481 946 Y N 1.293 121.753 120.300 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 58.441 58.100 0.232 0.000 1.093 946 Y CB 0.566 39.205 38.460 0.297 0.000 1.203 946 Y HN 0.868 nan 8.280 nan 0.000 0.427 947 G N 6.398 115.080 108.800 -0.195 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 -1.908 172.904 174.900 -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 0.131 nan 4.420 nan 0.000 0.236 948 P C 0.515 177.586 177.300 -0.381 0.000 1.177 948 P CA 0.965 63.874 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 0.420 175.514 175.328 -0.389 0.000 1.151 949 H CA -0.169 55.704 56.048 -0.291 0.000 1.339 949 H CB 0.826 30.249 29.762 -0.565 0.000 1.483 949 H HN -0.048 nan 8.280 nan 0.000 0.558 950 Q N 2.721 122.273 119.800 -0.414 0.000 2.284 950 Q HA 0.221 4.561 4.340 -0.000 0.000 0.269 950 Q C -1.901 173.883 176.000 -0.360 0.000 1.026 950 Q CA -0.770 54.892 55.803 -0.234 0.000 0.831 950 Q CB 1.780 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 3.544 124.848 121.300 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 -0.793 56.533 57.345 -0.031 0.000 1.226 951 W CB 2.236 31.511 29.460 -0.307 0.000 1.419 951 W HN 0.614 nan 8.180 nan 0.000 0.502 952 R N 0.741 121.496 120.500 0.425 0.000 2.744 952 R HA 0.861 5.201 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 -0.586 55.770 56.100 0.427 0.000 0.906 952 R CB 2.363 32.829 30.300 0.276 0.000 1.197 952 R HN 0.705 nan 8.270 nan 0.000 0.463 953 G N 0.500 109.585 108.800 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 -1.772 173.278 174.900 0.251 0.000 1.190 953 G CA -0.530 44.815 45.100 0.409 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 -0.425 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 1.435 121.324 119.800 0.147 0.000 2.387 956 Q HA 0.677 5.017 4.340 -0.000 0.000 0.273 956 Q C -1.315 174.781 176.000 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 -0.201 0.000 1.367 956 Q HN 0.880 nan 8.270 nan 0.000 0.443 957 F N -1.179 118.659 119.950 -0.186 0.000 2.711 957 F HA 0.777 5.304 4.527 -0.000 0.000 0.313 957 F C -1.606 173.985 175.800 -0.348 0.000 1.141 957 F CA -1.084 56.765 58.000 -0.251 0.000 0.941 957 F CB 1.619 40.483 39.000 -0.226 0.000 1.349 957 F HN 0.576 nan 8.300 nan 0.000 0.464 958 N N 1.086 119.659 118.700 -0.212 0.000 2.329 958 N HA 0.692 5.432 4.740 -0.000 0.000 0.282 958 N C -2.190 173.295 175.510 -0.043 0.000 1.198 958 N CA -0.684 52.211 53.050 -0.258 0.000 0.790 958 N CB 2.505 40.831 38.487 -0.267 0.000 1.579 958 N HN 1.131 nan 8.380 nan 0.000 0.475 959 I N 0.627 121.158 120.570 -0.065 0.000 2.610 959 I HA 0.678 4.848 4.170 -0.000 0.000 0.289 959 I C -1.254 174.818 176.117 -0.076 0.000 1.163 959 I CA 0.072 61.312 61.300 -0.100 0.000 1.044 959 I CB 1.335 39.218 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 0.518 4.988 4.470 -0.000 0.000 0.280 960 S C -0.351 174.183 174.600 -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 -0.688 0.000 1.166 961 R HN 0.634 nan 8.270 nan 0.000 0.534 962 Y N 0.343 120.610 120.300 -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 -0.423 0.000 0.973 962 Y CA -1.171 56.803 58.100 -0.209 0.000 1.064 962 Y CB 1.478 39.770 38.460 -0.279 0.000 1.207 962 Y HN -0.098 nan 8.280 nan 0.000 0.452 963 S N 1.557 116.907 115.700 -0.584 0.000 2.603 963 S HA 0.076 4.546 4.470 -0.000 0.000 0.268 963 S C 0.866 175.131 174.600 -0.558 0.000 1.317 963 S CA -0.690 56.820 58.200 -1.150 0.000 1.012 963 S CB 1.169 63.643 63.200 -1.211 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 2.176 178.042 176.000 -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 0.654 120.295 119.800 -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 1.325 57.026 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 0.127 119.807 119.800 -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 0.465 nan 8.270 nan 0.000 0.424 967 L N 0.177 121.280 121.223 -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 56.111 54.840 -0.213 0.000 0.752 967 L CB -0.386 41.578 42.059 -0.159 0.000 0.891 967 L HN 0.417 nan 8.230 nan 0.000 0.432 968 M N -0.646 118.854 119.600 -0.167 0.000 2.394 968 M HA -0.147 4.332 4.480 -0.000 0.000 0.264 968 M C 1.582 177.802 176.300 -0.133 0.000 1.073 968 M CA 1.544 56.757 55.300 -0.144 0.000 1.111 968 M CB 0.133 32.665 32.600 -0.113 0.000 1.401 968 M HN 0.192 nan 8.290 nan 0.000 0.448 969 E N -0.727 119.396 120.200 -0.128 0.000 2.452 969 E HA 0.067 4.417 4.350 -0.000 0.000 0.197 969 E C -0.251 176.298 176.600 -0.085 0.000 1.022 969 E CA 0.153 56.500 56.400 -0.087 0.000 0.890 969 E CB 0.563 30.224 29.700 -0.065 0.000 0.918 969 E HN 0.317 nan 8.360 nan 0.000 0.496 970 T N 0.830 115.302 114.554 -0.137 0.000 2.744 970 T HA 0.071 4.421 4.350 -0.000 0.000 0.291 970 T C 1.129 175.729 174.700 -0.167 0.000 0.957 970 T CA -0.312 61.706 62.100 -0.136 0.000 1.002 970 T CB 1.530 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 2.184 117.872 115.700 -0.020 0.000 2.496 971 S HA 0.038 4.508 4.470 -0.000 0.000 0.224 971 S C 0.322 174.980 174.600 0.098 0.000 0.996 971 S CA 0.351 58.610 58.200 0.099 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 0.238 119.292 119.070 -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 1.519 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 1.346 121.954 120.500 0.181 0.000 2.105 973 R HA -0.181 4.158 4.340 -0.000 0.000 0.239 973 R C 1.390 177.690 176.300 -0.001 0.000 1.135 973 R CA 1.935 58.069 56.100 0.056 0.000 0.967 973 R CB -0.569 29.791 30.300 0.099 0.000 0.861 973 R HN 0.771 nan 8.270 nan 0.000 0.442 974 H N 1.584 120.656 119.070 0.003 0.000 2.489 974 H HA -0.023 4.533 4.556 -0.000 0.000 0.293 974 H C 1.539 176.786 175.328 -0.135 0.000 1.066 974 H CA 1.041 57.044 56.048 -0.075 0.000 1.305 974 H CB -0.245 29.459 29.762 -0.097 0.000 1.386 974 H HN 0.321 nan 8.280 nan 0.000 0.551 975 L N 0.902 121.692 121.223 -0.721 0.000 2.591 975 L HA 0.197 4.537 4.340 -0.000 0.000 0.228 975 L C 0.581 177.317 176.870 -0.223 0.000 1.133 975 L CA -0.103 54.447 54.840 -0.483 0.000 0.880 975 L CB -0.033 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 0.741 121.833 121.223 -0.217 0.000 2.395 976 L HA 0.218 4.558 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 -0.298 54.413 54.840 -0.213 0.000 0.812 976 L CB 0.609 42.357 42.059 -0.519 0.000 1.125 976 L HN 0.170 nan 8.230 nan 0.000 0.452 977 H N 1.684 120.799 119.070 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 54.917 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 4.049 126.951 122.820 0.137 0.000 2.540 978 A HA 0.083 4.403 4.320 -0.000 0.000 0.239 978 A C 0.357 177.960 177.584 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 1.107 121.283 120.200 -0.040 0.000 2.359 979 E HA 0.118 4.467 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 0.671 30.522 29.700 0.252 0.000 1.152 979 E HN 0.822 nan 8.360 nan 0.000 0.496 980 E N 0.229 120.448 120.200 0.032 0.000 2.065 980 E HA -0.210 4.140 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 1.726 58.108 56.400 -0.031 0.000 0.818 980 E CB 0.014 29.696 29.700 -0.031 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.357 107.349 108.800 -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 -0.683 174.135 174.900 -0.136 0.000 1.206 981 G CA -0.159 44.860 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 -1.556 173.007 174.700 -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 70.508 68.868 0.049 0.000 0.950 982 T HN 0.309 nan 8.240 nan 0.000 0.441 983 W N 3.068 124.281 121.300 -0.144 0.000 2.361 983 W HA 0.631 5.291 4.660 -0.000 0.000 0.309 983 W C -0.434 175.968 176.519 -0.196 0.000 1.122 983 W CA -0.704 56.553 57.345 -0.146 0.000 1.208 983 W CB 0.917 30.298 29.460 -0.132 0.000 1.246 983 W HN 0.366 nan 8.180 nan 0.000 0.490 984 L N 5.422 126.680 121.223 0.058 0.000 2.362 984 L HA 0.525 4.864 4.340 -0.000 0.000 0.275 984 L C -1.000 175.794 176.870 -0.127 0.000 0.998 984 L CA -0.449 54.304 54.840 -0.146 0.000 0.820 984 L CB 1.092 42.930 42.059 -0.368 0.000 1.270 984 L HN 0.323 nan 8.230 nan 0.000 0.415 985 N N 6.944 125.550 118.700 -0.156 0.000 2.442 985 N HA 0.451 5.191 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 2.244 40.655 38.487 -0.127 0.000 1.244 985 N HN 0.487 nan 8.380 nan 0.000 0.492 986 I N 1.839 122.225 120.570 -0.306 0.000 2.354 986 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 986 I C -0.458 175.470 176.117 -0.316 0.000 1.007 986 I CA -0.451 60.626 61.300 -0.373 0.000 1.167 986 I CB 1.393 39.029 38.000 -0.606 0.000 1.320 986 I HN 0.170 nan 8.210 nan 0.000 0.458 987 D N 4.547 124.802 120.400 -0.241 0.000 2.217 987 D HA 0.316 4.956 4.640 -0.000 0.000 0.243 987 D C 1.070 177.087 176.300 -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 43.294 40.800 -0.164 0.000 1.162 987 D HN 0.693 nan 8.370 nan 0.000 0.472 988 G N 1.215 109.462 108.800 -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 -1.345 0.000 1.156 988 G CA 0.568 44.882 45.100 -1.310 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.535 989 F N -1.919 117.822 119.950 -0.348 0.000 2.654 989 F HA 0.545 5.072 4.527 -0.000 0.000 0.308 989 F C -0.666 175.026 175.800 -0.179 0.000 1.108 989 F CA -1.259 56.618 58.000 -0.205 0.000 0.957 989 F CB 1.904 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 2.404 121.481 119.070 0.012 0.000 2.865 990 H HA 0.420 4.975 4.556 -0.000 0.000 0.362 990 H C -1.142 174.204 175.328 0.030 0.000 1.114 990 H CA -0.720 55.308 56.048 -0.034 0.000 1.208 990 H CB 2.488 32.210 29.762 -0.067 0.000 1.727 990 H HN 0.837 nan 8.280 nan 0.000 0.534 991 M N 2.426 122.002 119.600 -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 0.280 55.612 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 2.375 111.256 108.800 0.134 0.000 2.683 992 G HA2 0.330 4.290 3.960 -0.000 0.000 0.260 992 G HA3 0.330 4.290 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 -2.705 117.786 120.570 -0.132 0.000 3.939 993 I HA 0.453 4.623 4.170 -0.000 0.000 0.313 993 I C 1.149 177.191 176.117 -0.125 0.000 1.274 993 I CA 0.506 61.702 61.300 -0.174 0.000 1.301 993 I CB -0.325 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 1.618 110.364 108.800 -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 0.575 175.465 174.900 -0.016 0.000 1.302 994 G CA 0.103 45.190 45.100 -0.022 0.000 0.903 994 G HN 1.414 nan 8.290 nan 0.000 0.575 995 G N -2.250 106.555 108.800 0.008 0.000 2.370 995 G HA2 0.024 3.983 3.960 -0.000 0.000 0.174 995 G HA3 0.024 3.983 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 46.048 45.100 0.021 0.000 0.730 995 G HN 0.989 nan 8.290 nan 0.000 0.497 996 D N 1.177 121.634 120.400 0.095 0.000 2.221 996 D HA 0.132 4.772 4.640 -0.000 0.000 0.204 996 D C 0.957 177.276 176.300 0.031 0.000 0.982 996 D CA 2.078 56.191 54.000 0.188 0.000 0.857 996 D CB 0.149 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 -3.529 116.692 120.400 -0.300 0.000 2.653 997 D HA 0.247 4.886 4.640 -0.000 0.000 0.258 997 D C -0.854 174.930 176.300 -0.860 0.000 1.252 997 D CA -0.735 52.668 54.000 -0.995 0.000 0.777 997 D CB 0.738 40.505 40.800 -1.722 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 0.258 4.728 4.470 -0.000 0.000 0.245 998 S C -0.503 174.162 174.600 0.109 0.000 1.021 998 S CA -0.642 57.403 58.200 -0.259 0.000 1.006 998 S CB -0.601 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 0.923 122.169 121.300 -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 -0.563 56.739 57.345 -0.072 0.000 1.488 999 W CB -0.545 28.812 29.460 -0.172 0.000 1.079 999 W HN 0.171 nan 8.180 nan 0.000 0.506 1000 S N -1.005 114.611 115.700 -0.140 0.000 2.596 1000 S HA 0.659 5.129 4.470 -0.000 0.000 0.270 1000 S C -3.156 171.395 174.600 -0.082 0.000 1.155 1000 S CA -1.659 56.488 58.200 -0.087 0.000 0.827 1000 S CB 1.740 64.900 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 0.081 0.000 1.215 1001 P CA -0.129 63.003 63.100 0.055 0.000 0.763 1001 P CB 0.689 32.334 31.700 -0.090 0.000 0.806 1002 S N 0.689 116.463 115.700 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 57.885 58.200 0.080 0.000 1.052 1002 S CB -0.262 62.935 63.200 -0.005 0.000 1.017 1002 S HN 0.117 nan 8.310 nan 0.000 0.576 1003 V N 4.232 124.267 119.914 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 0.637 32.534 31.823 0.123 0.000 0.999 1003 V HN 0.650 nan 8.190 nan 0.000 0.472 1004 S N 4.439 120.323 115.700 0.308 0.000 2.579 1004 S HA 0.332 4.802 4.470 -0.000 0.000 0.275 1004 S C 1.495 176.240 174.600 0.243 0.000 1.345 1004 S CA -0.016 58.348 58.200 0.274 0.000 1.031 1004 S CB 1.303 64.630 63.200 0.212 0.000 0.892 1004 S HN 1.044 nan 8.310 nan 0.000 0.529 1005 A N 1.917 124.824 122.820 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 0.106 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 4.232 4.350 -0.000 0.000 0.200 1006 E C 0.715 176.993 176.600 -0.537 0.000 1.023 1006 E CA 1.052 57.215 56.400 -0.394 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 0.550 120.547 119.950 0.078 0.000 2.654 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.303 1007 F C 0.545 176.379 175.800 0.057 0.000 1.099 1007 F CA -0.521 57.524 58.000 0.075 0.000 1.270 1007 F CB 0.434 39.478 39.000 0.073 0.000 1.024 1007 F HN -0.168 nan 8.300 nan 0.000 0.548 1008 Q N 1.325 121.236 119.800 0.186 0.000 2.230 1008 Q HA 0.416 4.756 4.340 -0.000 0.000 0.248 1008 Q C -0.228 175.798 176.000 0.043 0.000 0.915 1008 Q CA -0.569 55.320 55.803 0.144 0.000 0.900 1008 Q CB 2.051 30.958 28.738 0.281 0.000 1.229 1008 Q HN 0.259 nan 8.270 nan 0.000 0.439 1009 L N 2.420 123.647 121.223 0.007 0.000 2.399 1009 L HA 0.114 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 54.753 54.840 -0.036 0.000 1.144 1009 L CB -0.302 41.650 42.059 -0.180 0.000 1.379 1009 L HN 0.696 nan 8.230 nan 0.000 0.414 1010 S N -0.983 114.570 115.700 -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 0.742 63.633 63.200 -0.515 0.000 0.829 1010 S HN 0.524 nan 8.310 nan 0.000 0.479 1011 A N 1.362 124.143 122.820 -0.065 0.000 2.119 1011 A HA 0.491 4.811 4.320 -0.000 0.000 0.217 1011 A C 2.068 179.501 177.584 -0.251 0.000 1.153 1011 A CA 1.068 52.948 52.037 -0.262 0.000 0.692 1011 A CB -1.177 17.475 19.000 -0.581 0.000 0.799 1011 A HN 1.478 nan 8.150 nan 0.000 0.458 1012 G N -1.422 107.314 108.800 -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 -0.061 0.000 1.103 1012 G CA 0.387 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 -0.596 119.707 120.500 -0.328 0.000 2.574 1013 R HA 0.645 4.985 4.340 -0.000 0.000 0.288 1013 R C -1.641 174.336 176.300 -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 0.311 120.614 120.300 0.005 0.000 2.477 1014 Y HA 0.345 4.895 4.550 -0.000 0.000 0.347 1014 Y C -0.379 175.685 175.900 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 2.712 122.065 119.070 0.471 0.000 2.679 1015 H HA 0.610 5.166 4.556 -0.000 0.000 0.360 1015 H C -1.717 173.978 175.328 0.610 0.000 1.105 1015 H CA -0.922 55.375 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 1.191 121.276 120.300 -0.357 0.000 2.638 1016 Y HA 0.583 5.133 4.550 -0.000 0.000 0.335 1016 Y C -1.912 173.794 175.900 -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 39.855 38.460 -0.068 0.000 1.303 1016 Y HN 0.661 nan 8.280 nan 0.000 0.460 1017 Q N 2.315 122.082 119.800 -0.056 0.000 2.418 1017 Q HA 0.810 5.150 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 -0.991 54.775 55.803 -0.061 0.000 0.813 1017 Q CB 3.580 32.335 28.738 0.028 0.000 1.428 1017 Q HN 0.743 nan 8.270 nan 0.000 0.402 1018 L N 0.190 121.465 121.223 0.087 0.000 2.479 1018 L HA 0.762 5.102 4.340 -0.000 0.000 0.255 1018 L C -1.191 175.788 176.870 0.181 0.000 1.026 1018 L CA -1.216 53.719 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 0.287 120.341 119.914 0.233 0.000 2.531 1019 V HA 0.462 4.582 4.120 -0.000 0.000 0.301 1019 V C -1.107 175.172 176.094 0.309 0.000 1.034 1019 V CA -0.392 62.056 62.300 0.246 0.000 0.865 1019 V CB 2.039 33.980 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 -0.081 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