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_C DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.142 176.117 0.041 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.016 38.000 0.026 0.000 1.214 4 T N -2.317 112.268 114.554 0.052 0.000 3.081 4 T HA 0.218 4.568 4.350 -0.000 0.000 0.250 4 T C 0.922 175.653 174.700 0.052 0.000 1.100 4 T CA 0.966 63.082 62.100 0.026 0.000 1.038 4 T CB -0.376 68.506 68.868 0.023 0.000 0.962 4 T HN 0.248 nan 8.240 nan 0.000 0.516 5 D N 2.371 122.860 120.400 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 0.156 54.350 54.000 0.323 0.000 0.866 5 D CB 0.058 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 0.065 115.858 115.700 0.154 0.000 2.548 6 S HA 0.087 4.556 4.470 -0.000 0.000 0.277 6 S C 1.336 175.989 174.600 0.088 0.000 1.315 6 S CA -0.681 57.569 58.200 0.082 0.000 1.050 6 S CB 1.272 64.488 63.200 0.026 0.000 0.918 6 S HN -0.115 nan 8.310 nan 0.000 0.497 7 L N 3.575 124.827 121.223 0.049 0.000 2.051 7 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 7 L C 2.900 179.789 176.870 0.032 0.000 1.076 7 L CA 2.506 57.380 54.840 0.057 0.000 0.758 7 L CB -1.543 40.501 42.059 -0.024 0.000 0.890 7 L HN 0.989 nan 8.230 nan 0.000 0.433 8 A N -1.824 121.001 122.820 0.008 0.000 2.015 8 A HA -0.097 4.222 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 1.744 53.782 52.037 0.003 0.000 0.646 8 A CB -0.574 18.423 19.000 -0.004 0.000 0.806 8 A HN 0.233 nan 8.150 nan 0.000 0.448 9 V N -1.023 118.877 119.914 -0.023 0.000 2.341 9 V HA -0.129 3.991 4.120 -0.000 0.000 0.240 9 V C 2.541 178.562 176.094 -0.122 0.000 1.035 9 V CA 1.515 63.778 62.300 -0.061 0.000 1.033 9 V CB -0.379 31.411 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 -0.204 0.000 1.060 10 V CA 2.243 64.328 62.300 -0.357 0.000 1.030 10 V CB -0.695 30.869 31.823 -0.432 0.000 0.643 10 V HN 0.482 nan 8.190 nan 0.000 0.445 11 L N 0.279 121.493 121.223 -0.017 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 0.714 120.511 119.800 -0.005 0.000 2.137 12 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 12 Q C 2.306 178.248 176.000 -0.098 0.000 0.960 12 Q CA 1.184 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 0.511 120.934 120.500 -0.129 0.000 2.096 13 R HA 0.010 4.350 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 1.134 57.130 56.100 -0.175 0.000 0.968 13 R CB -0.230 29.965 30.300 -0.174 0.000 0.861 13 R HN 0.352 nan 8.270 nan 0.000 0.440 14 R N 0.784 121.032 120.500 -0.420 0.000 3.261 14 R HA -0.122 4.218 4.340 -0.000 0.000 0.257 14 R C -0.136 175.699 176.300 -0.776 0.000 1.014 14 R CA 0.411 55.877 56.100 -1.057 0.000 0.681 14 R CB -1.232 28.581 30.300 -0.811 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 1.588 177.850 176.300 -0.063 0.000 0.982 15 D CA 1.766 55.576 54.000 -0.317 0.000 0.857 15 D CB -0.138 40.263 40.800 -0.664 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 0.059 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 0.175 0.000 1.318 16 W CA -0.216 57.257 57.345 0.213 0.000 1.663 16 W CB -0.262 29.355 29.460 0.263 0.000 1.114 16 W HN -0.164 nan 8.180 nan 0.000 0.706 17 E N 1.029 121.058 120.200 -0.285 0.000 3.306 17 E HA 0.085 4.435 4.350 -0.000 0.000 0.197 17 E C -0.836 175.644 176.600 -0.200 0.000 0.980 17 E CA -0.285 56.014 56.400 -0.169 0.000 1.259 17 E CB -0.173 29.471 29.700 -0.093 0.000 1.112 17 E HN 0.078 nan 8.360 nan 0.000 0.458 18 N N 1.241 119.849 118.700 -0.153 0.000 2.572 18 N HA 0.140 4.880 4.740 -0.000 0.000 0.287 18 N C -2.373 173.016 175.510 -0.202 0.000 1.136 18 N CA -1.933 50.994 53.050 -0.206 0.000 0.900 18 N CB 1.626 40.000 38.487 -0.189 0.000 1.484 18 N HN -0.227 nan 8.380 nan 0.000 0.526 19 P HA 0.074 nan 4.420 nan 0.000 0.230 19 P C 1.074 178.144 177.300 -0.383 0.000 1.158 19 P CA 0.660 63.437 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 -0.344 108.275 108.800 -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 0.322 175.151 174.900 -0.117 0.000 1.133 20 G CA 0.213 45.190 45.100 -0.206 0.000 0.791 20 G HN 0.211 nan 8.290 nan 0.000 0.538 21 V N 1.443 121.309 119.914 -0.080 0.000 2.326 21 V HA 0.355 4.474 4.120 -0.000 0.000 0.281 21 V C 0.850 177.005 176.094 0.102 0.000 1.015 21 V CA 0.153 62.461 62.300 0.013 0.000 0.823 21 V CB 1.215 33.042 31.823 0.007 0.000 1.009 21 V HN 0.304 nan 8.190 nan 0.000 0.436 22 T N 0.742 115.341 114.554 0.074 0.000 2.985 22 T HA 0.353 4.702 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 0.386 69.248 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 5.052 4.340 -0.000 0.000 0.295 23 Q C -2.190 173.930 176.000 0.200 0.000 0.903 23 Q CA -1.097 54.751 55.803 0.073 0.000 0.768 23 Q CB 1.079 29.788 28.738 -0.049 0.000 1.472 23 Q HN 0.230 nan 8.270 nan 0.000 0.416 24 L N 1.701 123.068 121.223 0.240 0.000 2.580 24 L HA 0.558 4.898 4.340 -0.000 0.000 0.266 24 L C -0.791 176.225 176.870 0.244 0.000 0.955 24 L CA -0.805 54.197 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 0.576 119.378 118.700 0.171 0.000 2.800 25 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 25 N C 0.220 175.808 175.510 0.129 0.000 1.078 25 N CA 0.730 53.880 53.050 0.167 0.000 0.804 25 N CB -0.744 37.828 38.487 0.142 0.000 1.135 25 N HN 0.690 nan 8.380 nan 0.000 0.565 26 R N 1.211 121.659 120.500 -0.087 0.000 2.340 26 R HA 0.401 4.741 4.340 -0.000 0.000 0.300 26 R C 0.700 176.854 176.300 -0.244 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 2.751 123.823 121.223 -0.251 0.000 2.479 27 L HA 0.328 4.668 4.340 -0.000 0.000 0.248 27 L C 0.756 177.589 176.870 -0.061 0.000 1.205 27 L CA -0.629 54.160 54.840 -0.085 0.000 0.817 27 L CB 0.462 42.509 42.059 -0.019 0.000 1.162 27 L HN 0.738 nan 8.230 nan 0.000 0.486 28 A N 0.488 123.315 122.820 0.012 0.000 2.366 28 A HA 0.553 4.873 4.320 -0.000 0.000 0.249 28 A C 0.157 177.785 177.584 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 19.322 19.000 0.065 0.000 1.034 28 A HN 0.766 nan 8.150 nan 0.000 0.491 29 A N 0.733 123.546 122.820 -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 -0.098 0.000 1.091 29 A CA 0.363 52.320 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 1.789 nan 8.150 nan 0.000 0.489 30 H N -2.518 116.451 119.070 -0.167 0.000 2.904 30 H HA 0.597 5.153 4.556 -0.000 0.000 0.290 30 H C -3.351 171.749 175.328 -0.379 0.000 1.437 30 H CA -1.737 54.171 56.048 -0.233 0.000 1.147 30 H CB 0.016 29.606 29.762 -0.287 0.000 1.824 30 H HN 0.403 nan 8.280 nan 0.000 0.505 31 P HA 0.207 nan 4.420 nan 0.000 0.274 31 P C -2.592 174.458 177.300 -0.416 0.000 1.260 31 P CA -1.488 61.396 63.100 -0.360 0.000 0.793 31 P CB -0.375 31.087 31.700 -0.397 0.000 1.048 32 P HA 0.144 nan 4.420 nan 0.000 0.271 32 P C -0.845 176.517 177.300 0.103 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 1.389 121.460 119.950 0.203 0.000 2.492 33 F HA 0.583 5.110 4.527 -0.000 0.000 0.327 33 F C 1.137 176.888 175.800 -0.081 0.000 1.079 33 F CA -0.950 57.101 58.000 0.084 0.000 0.967 33 F CB 2.029 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 0.568 123.356 122.820 -0.054 0.000 2.340 34 A HA 0.253 4.573 4.320 -0.000 0.000 0.213 34 A C 0.820 178.124 177.584 -0.467 0.000 1.299 34 A CA 0.487 52.233 52.037 -0.485 0.000 0.994 34 A CB -0.034 18.126 19.000 -1.400 0.000 1.132 34 A HN 0.772 nan 8.150 nan 0.000 0.519 35 S N -0.206 115.322 115.700 -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 58.405 58.200 -0.206 0.000 1.115 35 S CB -1.708 61.356 63.200 -0.227 0.000 0.893 35 S HN 0.493 nan 8.310 nan 0.000 0.475 36 W N 1.370 122.663 121.300 -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 -0.011 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 1.535 122.198 120.500 0.272 0.000 2.508 37 R HA 0.093 4.432 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 0.382 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 0.510 119.306 118.700 0.160 0.000 2.425 38 N HA -0.022 4.718 4.740 -0.000 0.000 0.289 38 N C 0.379 175.880 175.510 -0.014 0.000 1.074 38 N CA 0.101 53.191 53.050 0.067 0.000 0.905 38 N CB 2.191 40.711 38.487 0.055 0.000 1.586 38 N HN -0.103 nan 8.380 nan 0.000 0.490 39 S N 2.762 118.433 115.700 -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 1.268 59.398 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 0.934 121.017 120.200 -0.196 0.000 2.110 40 E HA -0.124 4.226 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 -0.335 29.257 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 0.980 57.211 56.400 -0.281 0.000 0.799 41 E CB -0.082 29.620 29.700 0.003 0.000 0.748 41 E HN 0.178 nan 8.360 nan 0.000 0.449 42 A N 1.580 123.627 122.820 -1.288 0.000 1.902 42 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 42 A C 2.104 179.068 177.584 -1.035 0.000 1.181 42 A CA 1.634 52.446 52.037 -2.042 0.000 0.623 42 A CB -0.505 17.811 19.000 -1.140 0.000 0.818 42 A HN 0.113 nan 8.150 nan 0.000 0.443 43 R N -0.074 120.033 120.500 -0.656 0.000 2.152 43 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 43 R C 1.441 177.494 176.300 -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 -2.845 111.488 114.554 -0.368 0.000 3.105 44 T HA 0.111 4.461 4.350 -0.000 0.000 0.253 44 T C 0.044 174.665 174.700 -0.132 0.000 1.047 44 T CA 0.151 62.119 62.100 -0.220 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 1.340 121.629 120.400 -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 0.386 54.408 54.000 0.037 0.000 0.718 45 D CB -0.856 40.002 40.800 0.096 0.000 1.084 45 D HN 0.553 nan 8.370 nan 0.000 0.432 46 R N -0.112 120.486 120.500 0.164 0.000 2.652 46 R HA 0.493 4.833 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 -1.197 55.052 56.100 0.248 0.000 1.200 46 R CB 0.000 30.392 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 1.145 32.924 31.700 0.132 0.000 0.933 48 S N 1.795 117.486 115.700 -0.014 0.000 2.525 48 S HA 0.166 4.636 4.470 -0.000 0.000 0.290 48 S C 0.936 175.521 174.600 -0.024 0.000 1.152 48 S CA -0.538 57.578 58.200 -0.139 0.000 1.072 48 S CB 0.884 63.645 63.200 -0.732 0.000 1.027 48 S HN 0.373 nan 8.310 nan 0.000 0.500 49 Q N 1.723 121.554 119.800 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 0.351 56.235 55.803 0.135 0.000 0.932 49 Q CB -0.145 28.683 28.738 0.151 0.000 1.007 49 Q HN 0.782 nan 8.270 nan 0.000 0.508 50 Q N 0.494 120.357 119.800 0.105 0.000 2.365 50 Q HA 0.148 4.488 4.340 -0.000 0.000 0.203 50 Q C 0.011 176.052 176.000 0.070 0.000 0.929 50 Q CA 0.134 55.981 55.803 0.073 0.000 0.948 50 Q CB 0.102 28.779 28.738 -0.102 0.000 1.043 50 Q HN 0.160 nan 8.270 nan 0.000 0.505 51 L N 1.170 122.460 121.223 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 -0.373 54.523 54.840 0.092 0.000 0.831 51 L CB 1.471 43.507 42.059 -0.038 0.000 1.232 51 L HN -0.101 nan 8.230 nan 0.000 0.413 52 R N 2.782 123.394 120.500 0.187 0.000 2.561 52 R HA 0.457 4.796 4.340 -0.000 0.000 0.297 52 R C -0.910 175.430 176.300 0.066 0.000 0.969 52 R CA -0.592 55.586 56.100 0.130 0.000 0.879 52 R CB 2.264 32.658 30.300 0.157 0.000 1.178 52 R HN 0.691 nan 8.270 nan 0.000 0.445 53 S N 2.690 118.418 115.700 0.046 0.000 2.565 53 S HA 0.276 4.746 4.470 -0.000 0.000 0.274 53 S C 0.972 175.592 174.600 0.033 0.000 1.309 53 S CA -0.430 57.790 58.200 0.034 0.000 1.043 53 S CB 0.510 63.738 63.200 0.046 0.000 0.939 53 S HN 0.541 nan 8.310 nan 0.000 0.504 54 L N 3.452 124.704 121.223 0.048 0.000 2.857 54 L HA 0.285 4.625 4.340 -0.000 0.000 0.249 54 L C -0.018 177.060 176.870 0.347 0.000 1.172 54 L CA -0.255 54.649 54.840 0.106 0.000 0.980 54 L CB -0.331 41.761 42.059 0.055 0.000 1.299 54 L HN 0.497 nan 8.230 nan 0.000 0.535 55 N N 1.382 120.209 118.700 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 0.771 53.950 53.050 0.215 0.000 0.967 55 N CB 1.687 40.225 38.487 0.085 0.000 1.109 55 N HN 0.304 nan 8.380 nan 0.000 0.453 56 G N 0.770 109.754 108.800 0.307 0.000 2.366 56 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.190 56 G HA3 -0.061 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 -1.131 175.738 176.600 0.449 0.000 1.031 57 E CA -0.127 56.470 56.400 0.328 0.000 0.857 57 E CB 0.810 30.616 29.700 0.177 0.000 1.040 57 E HN 0.383 nan 8.360 nan 0.000 0.408 58 W N 1.656 123.045 121.300 0.147 0.000 3.047 58 W HA 0.402 5.062 4.660 -0.000 0.000 0.341 58 W C -0.530 176.107 176.519 0.196 0.000 1.225 58 W CA -0.740 56.721 57.345 0.195 0.000 1.150 58 W CB 0.879 30.511 29.460 0.286 0.000 1.470 58 W HN 0.265 nan 8.180 nan 0.000 0.578 59 R N 1.605 122.367 120.500 0.437 0.000 2.428 59 R HA 0.656 4.995 4.340 -0.000 0.000 0.294 59 R C -1.401 175.102 176.300 0.338 0.000 1.000 59 R CA -0.783 55.508 56.100 0.318 0.000 0.960 59 R CB 1.577 32.009 30.300 0.221 0.000 1.076 59 R HN 0.450 nan 8.270 nan 0.000 0.475 60 F N 0.524 120.494 119.950 0.033 0.000 2.578 60 F HA 0.664 5.190 4.527 -0.000 0.000 0.311 60 F C -1.480 174.180 175.800 -0.233 0.000 1.094 60 F CA -0.625 57.255 58.000 -0.199 0.000 0.923 60 F CB 2.082 40.853 39.000 -0.383 0.000 1.230 60 F HN 0.680 nan 8.300 nan 0.000 0.450 61 A N 4.226 126.165 122.820 -1.469 0.000 2.549 61 A HA 0.601 4.921 4.320 -0.000 0.000 0.297 61 A C -2.493 174.217 177.584 -1.457 0.000 1.061 61 A CA -0.560 50.802 52.037 -1.124 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 1.822 122.342 121.300 -1.300 0.000 2.689 62 W HA 0.793 5.453 4.660 -0.000 0.000 0.340 62 W C -1.968 173.956 176.519 -0.992 0.000 1.060 62 W CA -0.441 56.303 57.345 -1.001 0.000 1.218 62 W CB 1.448 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 4.811 124.125 119.950 -1.060 0.000 2.631 63 F HA 0.349 4.876 4.527 -0.000 0.000 0.308 63 F C -1.532 173.456 175.800 -1.353 0.000 1.097 63 F CA -2.391 55.114 58.000 -0.824 0.000 0.952 63 F CB 1.396 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 -1.051 121.682 122.820 -0.145 0.000 2.605 65 A HA 0.521 4.841 4.320 -0.000 0.000 0.294 65 A C -2.380 175.107 177.584 -0.162 0.000 1.062 65 A CA -1.087 50.894 52.037 -0.093 0.000 0.682 65 A CB 0.611 19.615 19.000 0.007 0.000 1.278 65 A HN -0.290 nan 8.150 nan 0.000 0.410 66 P HA -0.142 nan 4.420 nan 0.000 0.216 66 P C 0.846 178.035 177.300 -0.185 0.000 1.150 66 P CA 1.645 64.599 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 0.292 120.450 120.200 -0.072 0.000 2.171 67 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 67 E C 2.101 178.653 176.600 -0.080 0.000 0.997 67 E CA 1.540 57.919 56.400 -0.035 0.000 0.810 67 E CB -0.894 28.823 29.700 0.029 0.000 0.738 67 E HN 0.228 nan 8.360 nan 0.000 0.467 68 A N 0.729 123.488 122.820 -0.102 0.000 2.206 68 A HA 0.032 4.352 4.320 -0.000 0.000 0.211 68 A C 0.846 178.253 177.584 -0.296 0.000 1.158 68 A CA 0.071 52.065 52.037 -0.072 0.000 0.761 68 A CB -0.011 19.039 19.000 0.083 0.000 0.801 68 A HN 0.043 nan 8.150 nan 0.000 0.473 69 V N 2.531 122.110 119.914 -0.559 0.000 2.572 69 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 69 V C -2.131 173.748 176.094 -0.358 0.000 1.039 69 V CA -1.308 60.487 62.300 -0.842 0.000 1.055 69 V CB 0.755 32.007 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 0.441 177.718 177.300 -0.038 0.000 1.294 70 P CA -0.519 62.530 63.100 -0.085 0.000 0.827 70 P CB 1.643 33.339 31.700 -0.006 0.000 0.992 71 E N 1.716 121.889 120.200 -0.045 0.000 2.169 71 E HA -0.233 4.116 4.350 -0.000 0.000 0.202 71 E C 1.672 178.235 176.600 -0.062 0.000 1.016 71 E CA 2.423 58.788 56.400 -0.058 0.000 0.817 71 E CB -0.292 29.374 29.700 -0.055 0.000 0.736 71 E HN 0.438 nan 8.360 nan 0.000 0.462 72 S N -0.200 115.487 115.700 -0.021 0.000 2.383 72 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 72 S C 1.412 175.989 174.600 -0.038 0.000 1.030 72 S CA 1.125 59.313 58.200 -0.021 0.000 1.002 72 S CB -0.740 62.472 63.200 0.020 0.000 0.829 72 S HN 0.548 nan 8.310 nan 0.000 0.467 73 W N 2.694 123.903 121.300 -0.153 0.000 2.292 73 W HA -0.185 4.475 4.660 -0.000 0.000 0.304 73 W C 1.589 177.992 176.519 -0.193 0.000 1.228 73 W CA 1.101 58.347 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 0.056 120.957 121.223 -0.537 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.516 179.106 176.870 -0.466 0.000 1.083 74 L CA 1.506 55.926 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 -1.459 118.564 120.200 -0.295 0.000 2.132 75 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 75 E C 0.271 176.779 176.600 -0.153 0.000 0.951 75 E CA 0.388 56.678 56.400 -0.184 0.000 0.843 75 E CB 0.282 29.915 29.700 -0.113 0.000 0.807 75 E HN 0.307 nan 8.360 nan 0.000 0.467 76 C N 2.218 121.439 119.300 -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 1.602 122.008 120.400 0.011 0.000 2.419 77 D HA 0.194 4.833 4.640 -0.000 0.000 0.236 77 D C 0.025 176.397 176.300 0.121 0.000 1.165 77 D CA 0.503 54.561 54.000 0.096 0.000 0.882 77 D CB 0.621 41.474 40.800 0.088 0.000 1.201 77 D HN 0.367 nan 8.370 nan 0.000 0.443 78 L N 2.510 123.835 121.223 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 0.624 42.764 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 1.033 64.155 63.100 0.036 0.000 0.841 79 P CB 0.186 31.903 31.700 0.028 0.000 0.788 80 E N 0.064 120.274 120.200 0.018 0.000 2.502 80 E HA 0.263 4.613 4.350 -0.000 0.000 0.194 80 E C 0.756 177.352 176.600 -0.008 0.000 1.062 80 E CA -0.141 56.257 56.400 -0.003 0.000 0.867 80 E CB -0.490 29.192 29.700 -0.030 0.000 0.888 80 E HN 0.177 nan 8.360 nan 0.000 0.510 81 A N 1.540 124.368 122.820 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 -0.395 51.651 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 0.536 120.999 120.400 0.105 0.000 2.387 82 D HA 0.418 5.058 4.640 -0.000 0.000 0.255 82 D C -0.517 175.881 176.300 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 -0.189 174.584 174.700 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 70.009 68.868 0.106 0.000 0.927 83 T HN 0.016 nan 8.240 nan 0.000 0.448 84 V N 3.705 123.723 119.914 0.173 0.000 3.001 84 V HA 0.514 4.633 4.120 -0.000 0.000 0.314 84 V C -0.263 175.939 176.094 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 3.472 123.467 119.914 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 1.634 33.518 31.823 0.102 0.000 0.990 85 V HN 0.548 nan 8.190 nan 0.000 0.474 86 V N 7.606 127.528 119.914 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 -1.593 60.584 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 0.614 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 1.737 33.347 31.700 -0.149 0.000 1.064 88 S N -0.077 115.594 115.700 -0.049 0.000 2.656 88 S HA 0.382 4.852 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 57.145 58.200 -0.072 0.000 0.821 88 S CB 0.104 63.258 63.200 -0.076 0.000 1.099 88 S HN 0.358 nan 8.310 nan 0.000 0.471 89 N N 1.034 119.620 118.700 -0.189 0.000 2.417 89 N HA 0.449 5.188 4.740 -0.000 0.000 0.274 89 N C 0.429 175.790 175.510 -0.248 0.000 0.987 89 N CA -0.759 52.155 53.050 -0.227 0.000 0.912 89 N CB 0.761 39.071 38.487 -0.294 0.000 1.177 89 N HN 0.828 nan 8.380 nan 0.000 0.490 90 W N 2.781 123.961 121.300 -0.199 0.000 2.421 90 W HA -0.091 4.569 4.660 -0.000 0.000 0.270 90 W C 0.876 177.370 176.519 -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 0.295 120.086 119.800 -0.016 0.000 2.224 91 Q HA -0.104 4.236 4.340 -0.000 0.000 0.203 91 Q C 2.029 177.999 176.000 -0.050 0.000 0.970 91 Q CA 1.595 57.407 55.803 0.016 0.000 0.865 91 Q CB -0.565 28.065 28.738 -0.180 0.000 0.922 91 Q HN 0.211 nan 8.270 nan 0.000 0.445 92 M N -0.939 118.570 119.600 -0.151 0.000 2.619 92 M HA -0.024 4.456 4.480 -0.000 0.000 0.251 92 M C 0.473 176.772 176.300 -0.001 0.000 1.106 92 M CA 1.262 56.467 55.300 -0.159 0.000 1.086 92 M CB -0.518 31.926 32.600 -0.260 0.000 1.465 92 M HN 0.345 nan 8.290 nan 0.000 0.506 93 H N -1.618 117.487 119.070 0.059 0.000 2.755 93 H HA 0.358 4.913 4.556 -0.000 0.000 0.273 93 H C 1.322 176.541 175.328 -0.180 0.000 1.055 93 H CA 0.193 56.254 56.048 0.023 0.000 1.191 93 H CB 0.733 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 0.465 109.260 108.800 -0.008 0.000 2.195 94 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.224 94 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.224 94 G C 0.529 175.286 174.900 -0.238 0.000 0.990 94 G CA 0.277 45.274 45.100 -0.171 0.000 0.639 94 G HN 0.406 nan 8.290 nan 0.000 0.514 95 Y N 2.152 122.422 120.300 -0.050 0.000 2.165 95 Y HA 0.202 4.751 4.550 -0.000 0.000 0.286 95 Y C 1.676 177.297 175.900 -0.465 0.000 1.155 95 Y CA 1.614 59.510 58.100 -0.340 0.000 1.164 95 Y CB -0.196 37.984 38.460 -0.468 0.000 0.978 95 Y HN 0.634 nan 8.280 nan 0.000 0.513 96 D N -2.312 118.166 120.400 0.130 0.000 2.692 96 D HA 0.549 5.189 4.640 -0.000 0.000 0.303 96 D C -1.189 175.213 176.300 0.171 0.000 1.278 96 D CA -0.818 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 -0.243 122.682 122.820 0.175 0.000 2.304 97 A HA 0.716 5.036 4.320 -0.000 0.000 0.301 97 A C -2.430 175.194 177.584 0.067 0.000 1.132 97 A CA -1.243 50.871 52.037 0.128 0.000 0.819 97 A CB 0.148 19.279 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 0.247 0.000 1.238 98 P CA 0.061 63.109 63.100 -0.085 0.000 0.794 98 P CB 0.703 32.102 31.700 -0.502 0.000 0.955 99 I N 2.400 123.202 120.570 0.386 0.000 2.441 99 I HA 0.284 4.454 4.170 -0.000 0.000 0.295 99 I C -0.505 175.799 176.117 0.312 0.000 0.994 99 I CA -0.943 60.583 61.300 0.377 0.000 1.144 99 I CB 1.624 39.774 38.000 0.249 0.000 1.314 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.588 125.853 120.300 -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 57.461 58.100 -0.524 0.000 1.258 100 Y CB 0.973 38.499 38.460 -1.556 0.000 1.106 100 Y HN 0.549 nan 8.280 nan 0.000 0.545 101 T N 3.867 117.904 114.554 -0.861 0.000 2.887 101 T HA 0.270 4.620 4.350 -0.000 0.000 0.288 101 T C 0.329 174.522 174.700 -0.846 0.000 1.021 101 T CA -0.507 61.142 62.100 -0.753 0.000 1.000 101 T CB 1.396 70.044 68.868 -0.366 0.000 1.034 101 T HN 0.866 nan 8.240 nan 0.000 0.467 102 N N 2.100 120.378 118.700 -0.704 0.000 2.335 102 N HA 0.033 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 -0.499 0.000 0.928 102 N CB 0.219 38.437 38.487 -0.448 0.000 1.118 102 N HN 0.354 nan 8.380 nan 0.000 0.471 103 V N 0.487 120.068 119.914 -0.555 0.000 2.436 103 V HA 0.053 4.173 4.120 -0.000 0.000 0.240 103 V C 0.558 176.311 176.094 -0.568 0.000 1.040 103 V CA 0.777 62.653 62.300 -0.706 0.000 1.052 103 V CB -0.061 31.274 31.823 -0.814 0.000 0.707 103 V HN 0.321 nan 8.190 nan 0.000 0.469 104 T N 1.224 115.520 114.554 -0.429 0.000 2.867 104 T HA 0.114 4.464 4.350 -0.000 0.000 0.297 104 T C -0.404 174.145 174.700 -0.252 0.000 0.989 104 T CA 0.326 62.254 62.100 -0.287 0.000 1.159 104 T CB -0.342 68.393 68.868 -0.221 0.000 0.928 104 T HN 0.192 nan 8.240 nan 0.000 0.538 105 Y N 5.203 125.394 120.300 -0.182 0.000 2.597 105 Y HA 0.111 4.661 4.550 -0.000 0.000 0.336 105 Y C -0.875 174.888 175.900 -0.229 0.000 1.216 105 Y CA -1.823 56.157 58.100 -0.200 0.000 1.463 105 Y CB 0.388 38.728 38.460 -0.200 0.000 1.303 105 Y HN 0.546 nan 8.280 nan 0.000 0.576 106 P HA -0.120 nan 4.420 nan 0.000 0.220 106 P C 0.167 177.279 177.300 -0.314 0.000 1.148 106 P CA 1.365 64.355 63.100 -0.183 0.000 0.803 106 P CB 0.149 31.749 31.700 -0.167 0.000 0.782 107 I N -4.402 115.900 120.570 -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 -1.043 59.983 61.300 -0.457 0.000 1.023 107 I CB 1.263 38.830 38.000 -0.721 0.000 1.269 107 I HN -0.418 nan 8.210 nan 0.000 0.512 108 T N 2.233 116.691 114.554 -0.160 0.000 2.884 108 T HA 0.242 4.592 4.350 -0.000 0.000 0.298 108 T C 0.140 174.820 174.700 -0.034 0.000 0.998 108 T CA -0.372 61.691 62.100 -0.061 0.000 1.124 108 T CB 1.141 70.000 68.868 -0.014 0.000 0.931 108 T HN 0.383 nan 8.240 nan 0.000 0.531 109 V N 4.612 124.525 119.914 -0.003 0.000 2.326 109 V HA 0.221 4.340 4.120 -0.000 0.000 0.249 109 V C 0.656 176.794 176.094 0.073 0.000 1.114 109 V CA -0.172 62.148 62.300 0.033 0.000 1.028 109 V CB -0.678 31.147 31.823 0.003 0.000 1.170 109 V HN 0.810 nan 8.190 nan 0.000 0.494 110 N N 5.403 124.207 118.700 0.173 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 0.074 0.000 1.709 110 N CA -1.455 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 -2.292 174.719 177.300 -0.483 0.000 1.182 111 P CA -0.686 61.951 63.100 -0.772 0.000 0.761 111 P CB 0.436 31.554 31.700 -0.970 0.000 0.795 112 P HA 0.250 nan 4.420 nan 0.000 0.266 112 P C -0.566 176.573 177.300 -0.268 0.000 1.561 112 P CA -0.344 62.501 63.100 -0.426 0.000 1.089 112 P CB 0.026 31.500 31.700 -0.376 0.000 1.534 113 F N -0.326 119.734 119.950 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 0.989 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 3.179 123.381 119.914 0.482 0.000 2.994 114 V HA 0.450 4.570 4.120 -0.000 0.000 0.318 114 V C -1.958 174.322 176.094 0.309 0.000 1.085 114 V CA -1.943 60.567 62.300 0.350 0.000 0.998 114 V CB 2.097 34.222 31.823 0.504 0.000 1.063 114 V HN 0.550 nan 8.190 nan 0.000 0.447 115 P HA 0.141 nan 4.420 nan 0.000 0.274 115 P C 0.703 178.164 177.300 0.267 0.000 1.237 115 P CA 0.021 63.238 63.100 0.195 0.000 0.793 115 P CB 0.650 32.429 31.700 0.132 0.000 0.977 116 T N -1.046 113.629 114.554 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 63.334 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 56.244 56.400 0.193 0.000 0.862 117 E CB 0.442 30.261 29.700 0.199 0.000 1.066 117 E HN 0.366 nan 8.360 nan 0.000 0.396 118 N N 3.625 122.426 118.700 0.168 0.000 2.577 118 N HA 0.266 5.006 4.740 -0.000 0.000 0.275 118 N C -2.848 172.629 175.510 -0.055 0.000 1.091 118 N CA -2.627 50.520 53.050 0.162 0.000 0.843 118 N CB 1.147 39.777 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 -0.651 176.524 177.300 -0.208 0.000 1.141 119 P CA 0.624 63.600 63.100 -0.206 0.000 0.858 119 P CB -0.108 31.747 31.700 0.258 0.000 0.804 120 T N 2.849 117.088 114.554 -0.524 0.000 2.837 120 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 120 T C 0.692 174.953 174.700 -0.731 0.000 0.984 120 T CA -0.395 61.444 62.100 -0.435 0.000 1.049 120 T CB 1.347 69.970 68.868 -0.408 0.000 0.947 120 T HN 0.301 nan 8.240 nan 0.000 0.472 121 G N 1.128 109.616 108.800 -0.519 0.000 2.605 121 G HA2 0.476 4.436 3.960 -0.000 0.000 0.304 121 G HA3 0.476 4.436 3.960 -0.000 0.000 0.304 121 G C -0.320 174.387 174.900 -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 3.026 121.894 119.300 -0.721 0.000 2.281 122 C HA 0.511 4.971 4.460 -0.000 0.000 0.336 122 C C -0.388 174.470 174.990 -0.220 0.000 1.217 122 C CA -1.036 57.581 59.018 -0.668 0.000 1.730 122 C CB -1.750 24.993 27.740 -1.663 0.000 2.338 122 C HN 0.598 nan 8.230 nan 0.000 0.521 123 Y N 1.771 122.241 120.300 0.284 0.000 2.457 123 Y HA 0.670 5.220 4.550 -0.000 0.000 0.333 123 Y C 0.763 177.120 175.900 0.762 0.000 1.119 123 Y CA -0.430 58.007 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 1.916 118.122 115.700 0.843 0.000 2.537 124 S HA 0.787 5.257 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 0.486 0.000 0.868 124 S CB 1.884 65.307 63.200 0.372 0.000 1.115 124 S HN 0.752 nan 8.310 nan 0.000 0.461 125 L N 0.664 121.809 121.223 -0.129 0.000 2.513 125 L HA 0.781 5.121 4.340 -0.000 0.000 0.261 125 L C -1.446 175.383 176.870 -0.070 0.000 0.945 125 L CA 0.025 54.623 54.840 -0.403 0.000 0.848 125 L CB 2.358 43.587 42.059 -1.383 0.000 1.334 125 L HN 0.863 nan 8.230 nan 0.000 0.407 126 T N 5.233 119.768 114.554 -0.033 0.000 2.770 126 T HA 0.748 5.098 4.350 -0.000 0.000 0.283 126 T C -0.915 173.852 174.700 0.112 0.000 0.988 126 T CA -0.079 62.045 62.100 0.040 0.000 0.957 126 T CB 0.379 69.226 68.868 -0.034 0.000 0.930 126 T HN 0.487 nan 8.240 nan 0.000 0.443 127 F N 0.850 120.716 119.950 -0.140 0.000 2.685 127 F HA 0.734 5.261 4.527 -0.000 0.000 0.315 127 F C -0.916 174.824 175.800 -0.100 0.000 1.126 127 F CA -1.514 56.410 58.000 -0.127 0.000 0.950 127 F CB 1.371 40.285 39.000 -0.144 0.000 1.360 127 F HN 0.228 nan 8.300 nan 0.000 0.469 128 N N 0.164 118.785 118.700 -0.132 0.000 2.399 128 N HA 0.665 5.404 4.740 -0.000 0.000 0.295 128 N C -1.642 173.790 175.510 -0.129 0.000 1.048 128 N CA -0.579 52.356 53.050 -0.191 0.000 0.886 128 N CB 2.181 40.598 38.487 -0.116 0.000 1.185 128 N HN 0.576 nan 8.380 nan 0.000 0.487 129 V N 1.495 121.296 119.914 -0.188 0.000 2.459 129 V HA 0.243 4.363 4.120 -0.000 0.000 0.295 129 V C -0.245 175.715 176.094 -0.224 0.000 1.029 129 V CA -0.951 61.247 62.300 -0.170 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 3.181 123.336 120.400 -0.407 0.000 2.424 130 D HA -0.013 4.626 4.640 -0.000 0.000 0.244 130 D C 1.300 177.506 176.300 -0.157 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 2.237 122.391 120.200 -0.076 0.000 2.347 131 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 131 E C 1.359 177.987 176.600 0.047 0.000 1.008 131 E CA 0.776 57.173 56.400 -0.004 0.000 0.852 131 E CB -0.031 29.665 29.700 -0.008 0.000 0.783 131 E HN 0.367 nan 8.360 nan 0.000 0.505 132 S N 0.341 116.067 115.700 0.043 0.000 2.370 132 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 132 S C 1.442 176.140 174.600 0.163 0.000 1.033 132 S CA 1.310 59.571 58.200 0.101 0.000 1.011 132 S CB -0.596 62.673 63.200 0.115 0.000 0.852 132 S HN 0.585 nan 8.310 nan 0.000 0.457 133 W N 1.388 122.547 121.300 -0.236 0.000 2.392 133 W HA 0.195 4.855 4.660 -0.000 0.000 0.279 133 W C 2.121 178.588 176.519 -0.087 0.000 1.225 133 W CA 0.089 57.165 57.345 -0.448 0.000 1.233 133 W CB -0.800 28.425 29.460 -0.390 0.000 1.122 133 W HN 0.338 nan 8.180 nan 0.000 0.561 134 L N -0.541 120.812 121.223 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 0.874 55.813 54.840 0.165 0.000 0.820 134 L CB -0.256 41.870 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 -0.084 4.255 4.340 -0.000 0.000 0.196 135 Q C 0.843 176.899 176.000 0.094 0.000 0.973 135 Q CA 0.899 56.754 55.803 0.086 0.000 0.826 135 Q CB 0.011 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 4.813 4.350 -0.000 0.000 0.265 136 E C 0.295 177.000 176.600 0.175 0.000 0.940 136 E CA 0.015 56.484 56.400 0.116 0.000 0.819 136 E CB 1.265 31.018 29.700 0.089 0.000 1.206 136 E HN 0.287 nan 8.360 nan 0.000 0.409 137 G N 1.887 110.711 108.800 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 -0.947 173.887 174.900 -0.111 0.000 1.341 137 G CA 0.049 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 -0.398 119.207 119.800 -0.325 0.000 2.347 138 Q HA 0.646 4.986 4.340 -0.000 0.000 0.271 138 Q C -1.293 174.599 176.000 -0.180 0.000 1.064 138 Q CA -0.442 55.259 55.803 -0.170 0.000 0.800 138 Q CB 1.893 30.558 28.738 -0.120 0.000 1.304 138 Q HN 0.643 nan 8.270 nan 0.000 0.438 139 T N 4.964 119.543 114.554 0.040 0.000 2.815 139 T HA 0.483 4.833 4.350 -0.000 0.000 0.289 139 T C -0.715 174.067 174.700 0.137 0.000 1.000 139 T CA -0.630 61.545 62.100 0.125 0.000 0.958 139 T CB 0.566 69.624 68.868 0.317 0.000 0.944 139 T HN 0.625 nan 8.240 nan 0.000 0.442 140 R N 3.169 123.725 120.500 0.094 0.000 2.854 140 R HA 0.757 5.097 4.340 -0.000 0.000 0.271 140 R C -1.230 175.136 176.300 0.111 0.000 0.994 140 R CA -0.979 55.191 56.100 0.118 0.000 0.945 140 R CB 1.661 32.016 30.300 0.092 0.000 1.194 140 R HN 0.531 nan 8.270 nan 0.000 0.476 141 I N 2.721 123.365 120.570 0.123 0.000 2.460 141 I HA 0.431 4.601 4.170 -0.000 0.000 0.298 141 I C -1.030 175.095 176.117 0.013 0.000 0.989 141 I CA -1.365 59.950 61.300 0.025 0.000 1.173 141 I CB 1.399 39.393 38.000 -0.010 0.000 1.338 141 I HN 0.620 nan 8.210 nan 0.000 0.456 142 I N 7.225 127.701 120.570 -0.158 0.000 2.418 142 I HA 0.285 4.454 4.170 -0.000 0.000 0.287 142 I C -1.254 174.655 176.117 -0.346 0.000 1.008 142 I CA -0.407 60.816 61.300 -0.129 0.000 1.104 142 I CB 1.552 39.514 38.000 -0.064 0.000 1.264 142 I HN 0.369 nan 8.210 nan 0.000 0.438 143 F N 4.519 124.479 119.950 0.015 0.000 2.334 143 F HA 0.266 4.793 4.527 -0.000 0.000 0.367 143 F C 1.319 177.026 175.800 -0.156 0.000 1.115 143 F CA -0.493 57.448 58.000 -0.099 0.000 1.116 143 F CB 0.738 39.654 39.000 -0.141 0.000 1.230 143 F HN 0.462 nan 8.300 nan 0.000 0.484 144 D N 2.336 122.691 120.400 -0.075 0.000 2.263 144 D HA 0.016 4.656 4.640 -0.000 0.000 0.208 144 D C 1.003 177.157 176.300 -0.243 0.000 0.971 144 D CA 1.058 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 0.649 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 -1.621 172.907 174.900 -0.619 0.000 1.396 145 G CA -0.514 44.243 45.100 -0.571 0.000 1.104 145 G HN -0.051 nan 8.290 nan 0.000 0.587 146 V N 2.384 122.153 119.914 -0.242 0.000 2.612 146 V HA 0.556 4.676 4.120 -0.000 0.000 0.301 146 V C -0.898 175.258 176.094 0.103 0.000 1.059 146 V CA -1.164 61.030 62.300 -0.177 0.000 0.886 146 V CB 1.951 33.400 31.823 -0.623 0.000 1.007 146 V HN 0.756 nan 8.190 nan 0.000 0.426 147 N N 2.350 121.141 118.700 0.152 0.000 2.372 147 N HA 0.366 5.106 4.740 -0.000 0.000 0.285 147 N C 0.620 176.081 175.510 -0.083 0.000 1.008 147 N CA 0.187 53.258 53.050 0.035 0.000 0.880 147 N CB 2.377 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 2.054 117.734 115.700 -0.033 0.000 2.505 148 S HA 0.541 5.011 4.470 -0.000 0.000 0.216 148 S C 0.321 174.986 174.600 0.108 0.000 1.018 148 S CA 0.218 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 -0.934 51.166 52.037 0.105 0.000 0.685 149 A CB 0.938 20.018 19.000 0.134 0.000 1.284 149 A HN 1.188 nan 8.150 nan 0.000 0.408 150 F N -0.661 119.167 119.950 -0.203 0.000 2.725 150 F HA 0.696 5.223 4.527 -0.000 0.000 0.309 150 F C -1.363 174.443 175.800 0.009 0.000 1.132 150 F CA -0.777 57.191 58.000 -0.052 0.000 0.957 150 F CB 1.017 39.957 39.000 -0.101 0.000 1.286 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 2.029 121.294 119.070 0.326 0.000 2.499 151 H HA 0.773 5.329 4.556 -0.000 0.000 0.340 151 H C -1.422 173.974 175.328 0.113 0.000 1.148 151 H CA -0.719 55.439 56.048 0.184 0.000 1.215 151 H CB 2.422 32.322 29.762 0.231 0.000 1.529 151 H HN 0.816 nan 8.280 nan 0.000 0.510 152 L N 2.413 123.533 121.223 -0.173 0.000 2.408 152 L HA 0.413 4.753 4.340 -0.000 0.000 0.268 152 L C -1.736 174.879 176.870 -0.425 0.000 0.986 152 L CA -0.529 54.243 54.840 -0.114 0.000 0.820 152 L CB 1.725 43.584 42.059 -0.333 0.000 1.303 152 L HN 0.513 nan 8.230 nan 0.000 0.411 153 W N 4.193 125.467 121.300 -0.043 0.000 2.761 153 W HA 0.624 5.284 4.660 -0.000 0.000 0.340 153 W C -1.137 175.316 176.519 -0.111 0.000 1.072 153 W CA -0.789 56.500 57.345 -0.094 0.000 1.215 153 W CB 2.094 31.529 29.460 -0.043 0.000 1.420 153 W HN 0.646 nan 8.180 nan 0.000 0.519 154 C N 4.833 124.204 119.300 0.119 0.000 2.397 154 C HA 0.298 4.758 4.460 -0.000 0.000 0.325 154 C C 0.162 175.253 174.990 0.168 0.000 1.201 154 C CA -0.389 58.683 59.018 0.091 0.000 1.377 154 C CB -0.500 27.217 27.740 -0.039 0.000 2.038 154 C HN 0.808 nan 8.230 nan 0.000 0.457 155 N N 3.713 122.482 118.700 0.115 0.000 2.727 155 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 155 N C 0.985 176.553 175.510 0.097 0.000 1.048 155 N CA 2.064 55.160 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 1.872 nan 8.380 nan 0.000 0.544 156 G N -1.276 107.572 108.800 0.080 0.000 2.225 156 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.254 156 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.254 156 G C 0.174 175.243 174.900 0.281 0.000 0.988 156 G CA 0.550 45.692 45.100 0.069 0.000 0.625 156 G HN 0.550 nan 8.290 nan 0.000 0.527 157 R N -0.708 120.018 120.500 0.377 0.000 2.312 157 R HA 0.415 4.755 4.340 -0.000 0.000 0.311 157 R C -0.151 176.429 176.300 0.467 0.000 1.004 157 R CA -0.858 55.536 56.100 0.490 0.000 0.902 157 R CB 0.749 31.373 30.300 0.540 0.000 1.073 157 R HN 0.249 nan 8.270 nan 0.000 0.457 158 W N 4.187 125.619 121.300 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 0.063 57.165 57.345 -0.406 0.000 1.250 158 W CB 0.616 29.849 29.460 -0.379 0.000 1.257 158 W HN 0.354 nan 8.180 nan 0.000 0.554 159 V N 5.520 124.579 119.914 -1.425 0.000 2.806 159 V HA 0.542 4.662 4.120 -0.000 0.000 0.239 159 V C 1.082 176.202 176.094 -1.623 0.000 1.113 159 V CA 0.974 62.492 62.300 -1.304 0.000 1.137 159 V CB -0.363 30.762 31.823 -1.163 0.000 0.865 159 V HN 0.801 nan 8.190 nan 0.000 0.482 160 G N -1.677 105.943 108.800 -1.966 0.000 2.340 160 G HA2 0.463 4.422 3.960 -0.000 0.000 0.299 160 G HA3 0.463 4.422 3.960 -0.000 0.000 0.299 160 G C -2.462 172.158 174.900 -0.467 0.000 1.291 160 G CA -0.281 44.138 45.100 -1.135 0.000 0.841 160 G HN -0.017 nan 8.290 nan 0.000 0.500 161 Y N -0.542 119.646 120.300 -0.187 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 -0.292 0.000 1.045 161 Y CA -0.145 57.760 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 1.290 nan 8.280 nan 0.000 0.463 162 G N 3.505 111.476 108.800 -1.383 0.000 2.733 162 G HA2 0.583 4.543 3.960 -0.000 0.000 0.297 162 G HA3 0.583 4.543 3.960 -0.000 0.000 0.297 162 G C -2.156 172.269 174.900 -0.792 0.000 1.422 162 G CA -0.902 43.663 45.100 -0.892 0.000 0.942 162 G HN 0.605 nan 8.290 nan 0.000 0.510 163 Q N -0.031 119.552 119.800 -0.363 0.000 2.496 163 Q HA 0.607 4.947 4.340 -0.000 0.000 0.286 163 Q C -1.329 174.659 176.000 -0.020 0.000 1.103 163 Q CA -0.882 54.832 55.803 -0.148 0.000 0.813 163 Q CB 2.733 31.429 28.738 -0.070 0.000 1.444 163 Q HN 0.637 nan 8.270 nan 0.000 0.443 164 D N -0.076 120.354 120.400 0.049 0.000 4.370 164 D HA -0.098 4.542 4.640 -0.000 0.000 0.238 164 D C -0.403 175.955 176.300 0.096 0.000 1.104 164 D CA 0.550 54.596 54.000 0.077 0.000 1.101 164 D CB -0.681 40.150 40.800 0.051 0.000 0.749 164 D HN 0.569 nan 8.370 nan 0.000 0.351 165 S N 3.114 118.887 115.700 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 0.997 59.299 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 0.289 120.874 120.500 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 0.070 56.255 56.100 0.143 0.000 1.056 166 R CB -0.204 30.186 30.300 0.149 0.000 1.046 166 R HN 0.342 nan 8.270 nan 0.000 0.513 167 L N 1.917 123.173 121.223 0.056 0.000 2.333 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.263 167 L C -2.432 174.426 176.870 -0.020 0.000 1.014 167 L CA -2.695 52.152 54.840 0.011 0.000 0.820 167 L CB 2.444 44.500 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 -0.048 0.000 0.765 168 P CB 0.651 32.288 31.700 -0.105 0.000 0.823 169 S N 2.064 117.808 115.700 0.073 0.000 2.449 169 S HA 0.344 4.814 4.470 -0.000 0.000 0.310 169 S C -0.350 174.260 174.600 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 1.914 121.940 120.200 -0.291 0.000 2.238 170 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 170 E C -1.458 174.880 176.600 -0.438 0.000 0.887 170 E CA -0.629 55.674 56.400 -0.161 0.000 0.769 170 E CB 1.618 31.308 29.700 -0.016 0.000 1.187 170 E HN 0.428 nan 8.360 nan 0.000 0.416 171 F N 0.160 120.168 119.950 0.097 0.000 2.588 171 F HA 0.246 4.773 4.527 -0.000 0.000 0.310 171 F C -0.069 175.760 175.800 0.049 0.000 1.082 171 F CA -1.255 56.775 58.000 0.050 0.000 0.929 171 F CB 1.185 40.183 39.000 -0.002 0.000 1.254 171 F HN 0.234 nan 8.300 nan 0.000 0.455 172 D N 2.211 122.770 120.400 0.264 0.000 2.339 172 D HA 0.232 4.872 4.640 -0.000 0.000 0.256 172 D C 0.467 176.909 176.300 0.236 0.000 1.214 172 D CA 0.390 54.512 54.000 0.204 0.000 0.877 172 D CB 0.977 41.887 40.800 0.182 0.000 1.111 172 D HN 0.596 nan 8.370 nan 0.000 0.478 173 L N 2.533 123.893 121.223 0.229 0.000 2.554 173 L HA -0.038 4.302 4.340 -0.000 0.000 0.225 173 L C 2.216 179.338 176.870 0.419 0.000 1.104 173 L CA -0.084 54.925 54.840 0.282 0.000 0.866 173 L CB -0.001 42.189 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 1.779 176.490 174.600 0.185 0.000 1.138 174 S CA 2.136 60.467 58.200 0.217 0.000 1.146 174 S CB -0.324 62.962 63.200 0.144 0.000 1.042 174 S HN 0.584 nan 8.310 nan 0.000 0.448 175 A N -0.934 121.988 122.820 0.171 0.000 2.307 175 A HA 0.455 4.775 4.320 -0.000 0.000 0.218 175 A C 0.928 178.388 177.584 -0.207 0.000 1.228 175 A CA 0.030 52.028 52.037 -0.064 0.000 0.857 175 A CB -0.274 18.565 19.000 -0.269 0.000 0.897 175 A HN 0.473 nan 8.150 nan 0.000 0.495 176 F N -1.043 118.948 119.950 0.068 0.000 2.746 176 F HA 0.370 4.897 4.527 -0.000 0.000 0.313 176 F C 0.507 176.341 175.800 0.056 0.000 1.095 176 F CA -0.656 57.380 58.000 0.061 0.000 1.224 176 F CB -0.014 39.026 39.000 0.065 0.000 1.060 176 F HN -0.057 nan 8.300 nan 0.000 0.584 177 L N 1.984 123.368 121.223 0.270 0.000 2.397 177 L HA 0.344 4.683 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 -0.064 54.875 54.840 0.165 0.000 0.825 177 L CB 0.728 42.905 42.059 0.197 0.000 1.117 177 L HN 0.033 nan 8.230 nan 0.000 0.456 178 R N 1.461 121.971 120.500 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 -0.040 0.000 0.993 178 R CA -0.890 55.201 56.100 -0.015 0.000 0.993 178 R CB 1.797 32.070 30.300 -0.044 0.000 1.155 178 R HN 0.703 nan 8.270 nan 0.000 0.486 179 A N 0.793 123.592 122.820 -0.035 0.000 2.388 179 A HA 0.562 4.882 4.320 -0.000 0.000 0.257 179 A C 0.832 178.366 177.584 -0.085 0.000 1.095 179 A CA 0.704 52.711 52.037 -0.049 0.000 0.791 179 A CB 0.127 19.108 19.000 -0.032 0.000 1.029 179 A HN 0.870 nan 8.150 nan 0.000 0.489 180 G N 1.042 109.777 108.800 -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 0.082 174.858 174.900 -0.206 0.000 1.155 180 G CA 0.303 45.323 45.100 -0.133 0.000 0.960 180 G HN 0.977 nan 8.290 nan 0.000 0.544 181 E N 2.334 122.420 120.200 -0.191 0.000 2.265 181 E HA 0.256 4.606 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 29.714 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 -0.579 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 40.087 38.487 -0.973 0.000 1.366 182 N HN 0.285 nan 8.380 nan 0.000 0.493 183 R N 1.540 121.945 120.500 -0.159 0.000 2.532 183 R HA 0.444 4.784 4.340 -0.000 0.000 0.297 183 R C -1.178 175.202 176.300 0.132 0.000 0.984 183 R CA -0.508 55.599 56.100 0.012 0.000 0.884 183 R CB 1.087 31.354 30.300 -0.055 0.000 1.182 183 R HN 0.489 nan 8.270 nan 0.000 0.442 184 L N 2.991 124.348 121.223 0.225 0.000 2.307 184 L HA 0.641 4.981 4.340 -0.000 0.000 0.282 184 L C -0.093 176.866 176.870 0.150 0.000 1.051 184 L CA -0.699 54.264 54.840 0.205 0.000 0.804 184 L CB 1.809 43.994 42.059 0.210 0.000 1.197 184 L HN 0.676 nan 8.230 nan 0.000 0.431 185 A N 3.681 126.595 122.820 0.156 0.000 2.375 185 A HA 0.670 4.989 4.320 -0.000 0.000 0.291 185 A C -0.883 177.024 177.584 0.538 0.000 1.160 185 A CA -0.441 51.629 52.037 0.055 0.000 0.747 185 A CB 1.240 19.672 19.000 -0.947 0.000 1.170 185 A HN 0.380 nan 8.150 nan 0.000 0.458 186 V N 3.534 123.930 119.914 0.803 0.000 2.347 186 V HA 0.451 4.571 4.120 -0.000 0.000 0.280 186 V C 0.131 176.716 176.094 0.818 0.000 1.021 186 V CA -0.243 62.504 62.300 0.746 0.000 0.847 186 V CB 1.205 33.311 31.823 0.471 0.000 0.990 186 V HN 0.944 nan 8.190 nan 0.000 0.444 187 M N 6.439 126.525 119.600 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 -0.319 55.272 55.300 0.485 0.000 1.021 187 M CB 1.135 34.063 32.600 0.548 0.000 1.530 187 M HN 0.455 nan 8.290 nan 0.000 0.437 188 V N 6.768 126.870 119.914 0.314 0.000 2.439 188 V HA 0.416 4.536 4.120 -0.000 0.000 0.282 188 V C 0.033 176.279 176.094 0.253 0.000 1.039 188 V CA -0.743 61.741 62.300 0.307 0.000 0.913 188 V CB 1.177 33.221 31.823 0.367 0.000 0.983 188 V HN 0.791 nan 8.190 nan 0.000 0.460 189 L N 3.751 125.060 121.223 0.143 0.000 2.334 189 L HA 0.627 4.967 4.340 -0.000 0.000 0.275 189 L C 1.285 178.132 176.870 -0.038 0.000 1.036 189 L CA -0.727 54.122 54.840 0.015 0.000 0.807 189 L CB 1.314 43.264 42.059 -0.183 0.000 1.231 189 L HN 0.539 nan 8.230 nan 0.000 0.438 190 R N 1.639 122.025 120.500 -0.191 0.000 2.055 190 R HA 0.024 4.364 4.340 -0.000 0.000 0.228 190 R C -0.283 175.677 176.300 -0.568 0.000 1.143 190 R CA 1.409 57.137 56.100 -0.620 0.000 0.945 190 R CB 0.152 29.799 30.300 -1.089 0.000 0.841 190 R HN 0.613 nan 8.270 nan 0.000 0.429 191 W N 0.548 121.898 121.300 0.084 0.000 2.496 191 W HA 0.328 4.988 4.660 -0.000 0.000 0.327 191 W C -0.061 176.568 176.519 0.183 0.000 1.086 191 W CA -0.847 56.560 57.345 0.103 0.000 1.222 191 W CB 1.462 30.988 29.460 0.109 0.000 1.304 191 W HN 0.046 nan 8.180 nan 0.000 0.547 192 S N -0.904 115.083 115.700 0.478 0.000 2.688 192 S HA 0.216 4.686 4.470 -0.000 0.000 0.275 192 S C 0.148 174.999 174.600 0.420 0.000 1.175 192 S CA -0.545 57.948 58.200 0.488 0.000 0.818 192 S CB 1.296 64.748 63.200 0.419 0.000 1.157 192 S HN 0.620 nan 8.310 nan 0.000 0.482 193 D N 0.556 121.204 120.400 0.415 0.000 2.218 193 D HA 0.040 4.680 4.640 -0.000 0.000 0.204 193 D C 1.815 178.416 176.300 0.501 0.000 0.976 193 D CA 1.264 55.545 54.000 0.468 0.000 0.853 193 D CB -0.798 40.149 40.800 0.246 0.000 0.939 193 D HN 0.699 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 1.726 176.801 174.900 0.292 0.000 1.121 194 G CA 0.839 46.121 45.100 0.303 0.000 0.758 194 G HN 0.324 nan 8.290 nan 0.000 0.559 195 S N -0.142 115.717 115.700 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 0.764 59.082 58.200 0.197 0.000 0.983 195 S CB -0.400 62.910 63.200 0.184 0.000 0.803 195 S HN 0.566 nan 8.310 nan 0.000 0.480 196 Y N 1.019 121.421 120.300 0.171 0.000 2.483 196 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 196 Y C 1.502 177.498 175.900 0.160 0.000 1.143 196 Y CA 0.606 58.737 58.100 0.051 0.000 1.289 196 Y CB -0.166 38.204 38.460 -0.151 0.000 0.983 196 Y HN 0.194 nan 8.280 nan 0.000 0.556 197 L N -0.207 121.199 121.223 0.305 0.000 2.769 197 L HA 0.149 4.489 4.340 -0.000 0.000 0.240 197 L C 0.037 177.040 176.870 0.222 0.000 1.163 197 L CA 0.345 55.322 54.840 0.228 0.000 0.962 197 L CB 0.124 42.316 42.059 0.221 0.000 1.258 197 L HN 0.157 nan 8.230 nan 0.000 0.513 198 E N -0.299 120.047 120.200 0.244 0.000 3.646 198 E HA 0.041 4.391 4.350 -0.000 0.000 0.211 198 E C -0.452 176.253 176.600 0.176 0.000 1.034 198 E CA -0.071 56.457 56.400 0.213 0.000 1.341 198 E CB 0.529 30.348 29.700 0.199 0.000 1.202 198 E HN 0.030 nan 8.360 nan 0.000 0.447 199 D N 1.344 121.812 120.400 0.112 0.000 2.519 199 D HA 0.014 4.654 4.640 -0.000 0.000 0.238 199 D C -0.172 176.118 176.300 -0.015 0.000 1.192 199 D CA -0.003 53.950 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 0.065 nan 8.370 nan 0.000 0.490 200 Q N 0.363 120.245 119.800 0.137 0.000 2.421 200 Q HA 0.125 4.465 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 0.038 55.987 55.803 0.244 0.000 0.895 200 Q CB 0.543 29.568 28.738 0.479 0.000 1.271 200 Q HN 0.042 nan 8.270 nan 0.000 0.460 201 D N 2.706 123.242 120.400 0.228 0.000 2.441 201 D HA 0.194 4.834 4.640 -0.000 0.000 0.243 201 D C -0.815 175.635 176.300 0.251 0.000 1.257 201 D CA 0.155 54.255 54.000 0.167 0.000 1.027 201 D CB -0.401 40.519 40.800 0.200 0.000 1.084 201 D HN 0.485 nan 8.370 nan 0.000 0.514 202 M N 0.427 120.125 119.600 0.163 0.000 3.084 202 M HA 0.403 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 1.936 123.331 121.300 0.160 0.000 2.210 203 W HA 0.350 5.010 4.660 -0.000 0.000 0.330 203 W C 0.189 176.721 176.519 0.021 0.000 1.334 203 W CA -0.107 57.313 57.345 0.124 0.000 1.227 203 W CB 0.441 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 4.828 125.498 120.500 0.283 0.000 2.205 204 R HA 0.393 4.733 4.340 -0.000 0.000 0.342 204 R C -0.153 176.172 176.300 0.042 0.000 1.058 204 R CA -0.180 56.017 56.100 0.163 0.000 0.904 204 R CB 0.098 30.545 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 -0.119 175.867 176.300 -0.523 0.000 1.155 205 M CA -0.747 54.357 55.300 -0.326 0.000 0.781 205 M CB 2.222 34.620 32.600 -0.337 0.000 1.741 205 M HN 0.625 nan 8.290 nan 0.000 0.473 206 S N -1.261 113.999 115.700 -0.733 0.000 2.611 206 S HA 0.934 5.404 4.470 -0.000 0.000 0.268 206 S C -0.578 173.567 174.600 -0.758 0.000 1.156 206 S CA -0.272 57.398 58.200 -0.884 0.000 0.817 206 S CB 1.656 64.137 63.200 -1.199 0.000 1.122 206 S HN 1.421 nan 8.310 nan 0.000 0.466 207 G N 0.068 108.629 108.800 -0.398 0.000 2.362 207 G HA2 0.128 4.088 3.960 -0.000 0.000 0.517 207 G HA3 0.128 4.088 3.960 -0.000 0.000 0.517 207 G C -1.400 173.487 174.900 -0.021 0.000 1.256 207 G CA -0.575 44.549 45.100 0.040 0.000 1.027 207 G HN 1.179 nan 8.290 nan 0.000 0.491 208 I N 2.067 122.502 120.570 -0.226 0.000 2.316 208 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 208 I C 1.131 177.116 176.117 -0.220 0.000 1.107 208 I CA -0.284 60.780 61.300 -0.392 0.000 1.219 208 I CB -0.126 37.418 38.000 -0.759 0.000 1.455 208 I HN 0.518 nan 8.210 nan 0.000 0.498 209 F N 4.105 123.919 119.950 -0.226 0.000 2.765 209 F HA 0.411 4.938 4.527 -0.000 0.000 0.302 209 F C 0.697 176.434 175.800 -0.105 0.000 1.111 209 F CA -0.459 57.443 58.000 -0.164 0.000 1.359 209 F CB 0.084 38.985 39.000 -0.164 0.000 1.097 209 F HN 0.133 nan 8.300 nan 0.000 0.577 210 R N 0.564 120.657 120.500 -0.678 0.000 2.888 210 R HA 0.238 4.578 4.340 -0.000 0.000 0.264 210 R C -1.038 175.096 176.300 -0.277 0.000 1.045 210 R CA -1.149 54.704 56.100 -0.411 0.000 0.962 210 R CB 0.502 30.535 30.300 -0.445 0.000 1.210 210 R HN -0.030 nan 8.270 nan 0.000 0.479 211 D N 0.771 121.074 120.400 -0.162 0.000 2.563 211 D HA 0.071 4.711 4.640 -0.000 0.000 0.229 211 D C -0.306 175.899 176.300 -0.158 0.000 1.159 211 D CA 0.536 54.464 54.000 -0.120 0.000 0.869 211 D CB 0.373 41.139 40.800 -0.057 0.000 1.203 211 D HN 0.062 nan 8.370 nan 0.000 0.478 212 V N 1.174 121.006 119.914 -0.137 0.000 2.487 212 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 212 V C 0.009 176.016 176.094 -0.144 0.000 1.028 212 V CA -0.517 61.658 62.300 -0.208 0.000 0.860 212 V CB 1.796 33.518 31.823 -0.168 0.000 0.991 212 V HN 0.572 nan 8.190 nan 0.000 0.427 213 S N 4.194 119.771 115.700 -0.204 0.000 2.651 213 S HA 0.802 5.272 4.470 -0.000 0.000 0.279 213 S C -1.184 173.367 174.600 -0.081 0.000 1.148 213 S CA -0.716 57.426 58.200 -0.097 0.000 0.837 213 S CB 2.028 65.198 63.200 -0.050 0.000 1.138 213 S HN 0.522 nan 8.310 nan 0.000 0.478 214 L N 1.886 123.131 121.223 0.036 0.000 2.386 214 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 214 L C -1.516 175.463 176.870 0.181 0.000 0.993 214 L CA -0.751 54.175 54.840 0.142 0.000 0.819 214 L CB 1.812 44.057 42.059 0.309 0.000 1.294 214 L HN 0.504 nan 8.230 nan 0.000 0.414 215 L N 2.295 123.576 121.223 0.097 0.000 2.410 215 L HA 0.503 4.842 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 3.905 122.635 119.070 -0.567 0.000 2.541 216 H HA 0.576 5.132 4.556 -0.000 0.000 0.316 216 H C -1.181 173.855 175.328 -0.486 0.000 1.043 216 H CA -0.187 55.368 56.048 -0.823 0.000 1.232 216 H CB 0.944 29.622 29.762 -1.808 0.000 1.406 216 H HN 0.624 nan 8.280 nan 0.000 0.469 217 K N 5.449 125.361 120.400 -0.813 0.000 2.385 217 K HA 0.424 4.744 4.320 -0.000 0.000 0.248 217 K C -2.721 173.513 176.600 -0.609 0.000 0.955 217 K CA -2.450 53.488 56.287 -0.582 0.000 0.816 217 K CB 1.775 34.047 32.500 -0.380 0.000 1.250 217 K HN 0.428 nan 8.250 nan 0.000 0.434 218 P HA -0.005 nan 4.420 nan 0.000 0.271 218 P C 0.193 177.364 177.300 -0.216 0.000 1.233 218 P CA -0.131 62.812 63.100 -0.260 0.000 0.789 218 P CB 0.485 32.087 31.700 -0.163 0.000 0.951 219 T N -2.597 111.869 114.554 -0.147 0.000 2.867 219 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 219 T C 0.672 175.304 174.700 -0.115 0.000 1.057 219 T CA 1.270 63.302 62.100 -0.114 0.000 1.136 219 T CB -0.810 68.016 68.868 -0.071 0.000 0.874 219 T HN 0.318 nan 8.240 nan 0.000 0.466 220 T N 3.405 117.890 114.554 -0.115 0.000 2.853 220 T HA 0.437 4.787 4.350 -0.000 0.000 0.317 220 T C -0.279 174.336 174.700 -0.143 0.000 1.059 220 T CA -0.794 61.229 62.100 -0.128 0.000 0.954 220 T CB 0.670 69.473 68.868 -0.108 0.000 0.994 220 T HN 0.584 nan 8.240 nan 0.000 0.479 221 Q N 2.510 122.210 119.800 -0.168 0.000 2.605 221 Q HA 0.626 4.966 4.340 -0.000 0.000 0.296 221 Q C -0.960 174.930 176.000 -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 0.413 nan 8.270 nan 0.000 0.443 222 I N 2.558 122.995 120.570 -0.222 0.000 2.436 222 I HA -0.000 4.169 4.170 -0.000 0.000 0.289 222 I C 0.679 176.627 176.117 -0.281 0.000 1.083 222 I CA 0.053 61.239 61.300 -0.189 0.000 1.372 222 I CB 1.001 38.855 38.000 -0.243 0.000 1.408 222 I HN 0.831 nan 8.210 nan 0.000 0.516 223 S N 2.843 118.497 115.700 -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 0.317 63.526 63.200 0.015 0.000 0.801 223 S HN 0.713 nan 8.310 nan 0.000 0.505 224 D N -0.334 120.261 120.400 0.325 0.000 2.720 224 D HA 0.504 5.144 4.640 -0.000 0.000 0.239 224 D C -1.834 174.676 176.300 0.349 0.000 1.218 224 D CA -0.735 53.502 54.000 0.395 0.000 0.748 224 D CB 1.476 42.399 40.800 0.205 0.000 1.387 224 D HN 0.219 nan 8.370 nan 0.000 0.438 225 F N -0.383 119.616 119.950 0.082 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 0.304 nan 8.300 nan 0.000 0.440 226 H N 1.523 120.587 119.070 -0.009 0.000 2.768 226 H HA 0.783 5.339 4.556 -0.000 0.000 0.371 226 H C -1.427 173.888 175.328 -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 32.464 29.762 -0.078 0.000 1.722 226 H HN 0.651 nan 8.280 nan 0.000 0.543 227 V N 1.326 121.285 119.914 0.075 0.000 2.715 227 V HA 0.807 4.927 4.120 -0.000 0.000 0.310 227 V C -0.713 175.359 176.094 -0.036 0.000 1.054 227 V CA -0.439 61.872 62.300 0.019 0.000 0.928 227 V CB 1.683 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 2.432 125.212 122.820 -0.066 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 2.083 21.057 19.000 -0.044 0.000 1.281 228 A HN 0.927 nan 8.150 nan 0.000 0.402 229 T N 0.025 114.486 114.554 -0.155 0.000 2.792 229 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 61.280 62.100 -0.260 0.000 0.960 229 T CB 1.150 69.829 68.868 -0.316 0.000 0.939 229 T HN 0.694 nan 8.240 nan 0.000 0.439 230 R N 1.786 122.048 120.500 -0.396 0.000 2.711 230 R HA 0.773 5.113 4.340 -0.000 0.000 0.284 230 R C -1.180 174.752 176.300 -0.613 0.000 0.968 230 R CA -0.730 55.196 56.100 -0.290 0.000 0.924 230 R CB 1.557 31.785 30.300 -0.121 0.000 1.162 230 R HN 0.561 nan 8.270 nan 0.000 0.465 231 F N 0.231 120.188 119.950 0.011 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.417 176.109 175.800 -0.180 0.000 1.067 231 F CA -1.190 56.766 58.000 -0.073 0.000 0.969 231 F CB 0.934 39.827 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 0.004 0.000 2.405 232 N HA 0.087 4.827 4.740 -0.000 0.000 0.269 232 N C 0.587 175.954 175.510 -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 0.706 nan 8.380 nan 0.000 0.565 233 D N -0.623 119.677 120.400 -0.166 0.000 2.170 233 D HA -0.288 4.352 4.640 -0.000 0.000 0.193 233 D C 0.389 176.553 176.300 -0.226 0.000 1.004 233 D CA 2.072 55.970 54.000 -0.171 0.000 0.860 233 D CB -0.511 40.250 40.800 -0.065 0.000 0.931 233 D HN 0.761 nan 8.370 nan 0.000 0.448 234 D N -1.818 118.495 120.400 -0.145 0.000 2.431 234 D HA 0.009 4.649 4.640 -0.000 0.000 0.213 234 D C 0.395 176.801 176.300 0.175 0.000 1.130 234 D CA -0.708 53.311 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 0.287 nan 8.370 nan 0.000 0.504 235 F N 0.276 120.286 119.950 0.099 0.000 2.953 235 F HA -0.301 4.226 4.527 -0.000 0.000 0.292 235 F C 1.686 177.570 175.800 0.141 0.000 0.747 235 F CA 0.773 58.855 58.000 0.137 0.000 1.222 235 F CB -2.390 36.596 39.000 -0.023 0.000 1.457 235 F HN 0.198 nan 8.300 nan 0.000 0.383 236 S N -0.727 115.084 115.700 0.186 0.000 2.527 236 S HA 0.160 4.630 4.470 -0.000 0.000 0.222 236 S C 0.656 175.308 174.600 0.086 0.000 0.985 236 S CA 0.528 58.802 58.200 0.124 0.000 0.921 236 S CB 0.406 63.652 63.200 0.077 0.000 0.772 236 S HN 0.526 nan 8.310 nan 0.000 0.529 237 R N -0.153 120.406 120.500 0.098 0.000 2.584 237 R HA 0.687 5.027 4.340 -0.000 0.000 0.276 237 R C -1.604 174.710 176.300 0.022 0.000 1.046 237 R CA -0.104 56.016 56.100 0.032 0.000 0.906 237 R CB 1.802 32.104 30.300 0.004 0.000 1.215 237 R HN 0.264 nan 8.270 nan 0.000 0.449 238 A N 2.467 125.241 122.820 -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 -0.273 0.000 1.323 238 A HN 0.368 nan 8.150 nan 0.000 0.415 239 V N 1.215 121.022 119.914 -0.179 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 4.671 125.880 121.223 -0.023 0.000 2.292 240 L HA 0.659 4.999 4.340 -0.000 0.000 0.284 240 L C -0.093 176.741 176.870 -0.060 0.000 1.065 240 L CA 0.444 55.248 54.840 -0.059 0.000 0.806 240 L CB 1.257 43.304 42.059 -0.021 0.000 1.175 240 L HN 0.845 nan 8.230 nan 0.000 0.431 241 E N 4.736 124.895 120.200 -0.068 0.000 2.218 241 E HA 0.730 5.080 4.350 -0.000 0.000 0.263 241 E C -1.745 174.844 176.600 -0.018 0.000 0.879 241 E CA -0.838 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 4.360 127.177 122.820 -0.006 0.000 2.331 242 A HA 0.475 4.794 4.320 -0.000 0.000 0.320 242 A C -0.852 176.735 177.584 0.006 0.000 1.138 242 A CA -0.711 51.345 52.037 0.031 0.000 0.790 242 A CB 1.352 20.383 19.000 0.051 0.000 1.206 242 A HN 0.761 nan 8.150 nan 0.000 0.470 243 E N 2.222 122.427 120.200 0.008 0.000 2.176 243 E HA 0.604 4.953 4.350 -0.000 0.000 0.267 243 E C -1.647 174.907 176.600 -0.078 0.000 0.893 243 E CA -0.518 55.845 56.400 -0.063 0.000 0.761 243 E CB 1.661 31.300 29.700 -0.101 0.000 1.133 243 E HN 0.388 nan 8.360 nan 0.000 0.409 244 V N 4.129 124.011 119.914 -0.053 0.000 2.604 244 V HA 0.374 4.494 4.120 -0.000 0.000 0.305 244 V C -0.522 175.616 176.094 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 -0.879 175.188 176.000 0.113 0.000 1.077 245 Q CA -0.880 54.995 55.803 0.121 0.000 0.820 245 Q CB 2.850 31.592 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 0.007 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 34.393 32.600 -0.460 0.000 1.732 246 M HN 0.555 nan 8.290 nan 0.000 0.467 247 C N 1.573 120.774 119.300 -0.166 0.000 2.561 247 C HA 1.016 5.476 4.460 -0.000 0.000 0.319 247 C C 0.657 175.550 174.990 -0.161 0.000 1.198 247 C CA 0.927 59.864 59.018 -0.135 0.000 1.665 247 C CB 0.873 28.554 27.740 -0.098 0.000 2.258 247 C HN 1.322 nan 8.230 nan 0.000 0.493 248 G N 3.470 112.189 108.800 -0.136 0.000 2.342 248 G HA2 0.081 4.041 3.960 -0.000 0.000 0.220 248 G HA3 0.081 4.041 3.960 -0.000 0.000 0.220 248 G C -1.172 173.646 174.900 -0.136 0.000 1.243 248 G CA -0.119 44.904 45.100 -0.130 0.000 1.083 248 G HN 0.902 nan 8.290 nan 0.000 0.500 249 E N 0.606 120.729 120.200 -0.128 0.000 2.001 249 E HA 0.623 4.973 4.350 -0.000 0.000 0.279 249 E C 0.145 176.641 176.600 -0.173 0.000 1.045 249 E CA -0.782 55.547 56.400 -0.119 0.000 0.833 249 E CB 1.094 30.752 29.700 -0.071 0.000 1.077 249 E HN 0.663 nan 8.360 nan 0.000 0.397 250 L N 4.429 125.539 121.223 -0.188 0.000 2.418 250 L HA 0.277 4.617 4.340 -0.000 0.000 0.274 250 L C -0.035 176.715 176.870 -0.200 0.000 1.135 250 L CA 0.025 54.724 54.840 -0.235 0.000 0.870 250 L CB 0.207 42.143 42.059 -0.205 0.000 1.154 250 L HN 0.491 nan 8.230 nan 0.000 0.462 251 R N 2.775 123.096 120.500 -0.298 0.000 2.725 251 R HA 0.164 4.504 4.340 -0.000 0.000 0.277 251 R C 0.099 176.165 176.300 -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 1.267 121.554 120.400 -0.188 0.000 2.378 252 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 252 D C 1.023 177.297 176.300 -0.043 0.000 0.980 252 D CA 1.199 55.157 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 -0.146 120.164 120.300 0.016 0.000 2.466 253 Y HA 0.355 4.905 4.550 -0.000 0.000 0.272 253 Y C 1.027 176.932 175.900 0.008 0.000 1.169 253 Y CA -0.873 57.236 58.100 0.015 0.000 1.285 253 Y CB -0.475 37.994 38.460 0.015 0.000 1.078 253 Y HN -0.230 nan 8.280 nan 0.000 0.523 254 L N 2.893 123.926 121.223 -0.318 0.000 2.461 254 L HA 0.283 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 0.073 54.820 54.840 -0.155 0.000 0.836 254 L CB 0.434 42.431 42.059 -0.103 0.000 1.105 254 L HN 0.236 nan 8.230 nan 0.000 0.477 255 R N 1.934 122.290 120.500 -0.240 0.000 2.799 255 R HA 0.736 5.076 4.340 -0.000 0.000 0.270 255 R C -1.531 174.445 176.300 -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 -0.547 0.000 1.228 255 R HN 0.286 nan 8.270 nan 0.000 0.469 256 V N 0.758 120.421 119.914 -0.418 0.000 2.709 256 V HA 0.522 4.641 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 34.020 31.823 -0.390 0.000 1.003 256 V HN 0.770 nan 8.190 nan 0.000 0.425 257 T N 3.514 118.101 114.554 0.055 0.000 2.861 257 T HA 0.689 5.039 4.350 -0.000 0.000 0.287 257 T C -0.907 173.802 174.700 0.016 0.000 1.003 257 T CA -0.463 61.683 62.100 0.076 0.000 0.977 257 T CB 1.905 70.875 68.868 0.171 0.000 0.996 257 T HN 0.362 nan 8.240 nan 0.000 0.448 258 V N 3.211 123.119 119.914 -0.010 0.000 2.531 258 V HA 0.704 4.824 4.120 -0.000 0.000 0.301 258 V C -0.423 175.661 176.094 -0.016 0.000 1.034 258 V CA -0.814 61.478 62.300 -0.014 0.000 0.865 258 V CB 1.901 33.706 31.823 -0.029 0.000 0.995 258 V HN 1.069 nan 8.190 nan 0.000 0.424 259 S N 5.094 120.804 115.700 0.016 0.000 2.536 259 S HA 0.864 5.334 4.470 -0.000 0.000 0.287 259 S C -1.091 173.491 174.600 -0.029 0.000 1.101 259 S CA -0.754 57.410 58.200 -0.060 0.000 0.950 259 S CB 2.369 65.563 63.200 -0.009 0.000 1.056 259 S HN 0.538 nan 8.310 nan 0.000 0.481 260 L N 2.078 123.177 121.223 -0.206 0.000 2.356 260 L HA 0.779 5.119 4.340 -0.000 0.000 0.277 260 L C -2.032 174.716 176.870 -0.202 0.000 0.996 260 L CA -0.304 54.511 54.840 -0.041 0.000 0.822 260 L CB 0.843 42.898 42.059 -0.006 0.000 1.256 260 L HN 0.877 nan 8.230 nan 0.000 0.413 261 W N 3.193 124.595 121.300 0.170 0.000 2.736 261 W HA 0.569 5.229 4.660 -0.000 0.000 0.335 261 W C -0.520 176.115 176.519 0.193 0.000 1.059 261 W CA -0.536 56.899 57.345 0.149 0.000 1.226 261 W CB 1.587 31.087 29.460 0.067 0.000 1.416 261 W HN 0.460 nan 8.180 nan 0.000 0.505 262 Q N 2.476 122.494 119.800 0.364 0.000 2.626 262 Q HA 0.490 4.830 4.340 -0.000 0.000 0.239 262 Q C 0.767 176.835 176.000 0.113 0.000 1.101 262 Q CA 0.685 56.548 55.803 0.100 0.000 0.918 262 Q CB 0.199 28.937 28.738 -0.001 0.000 1.151 262 Q HN 0.747 nan 8.270 nan 0.000 0.531 263 G N 2.433 111.299 108.800 0.111 0.000 2.950 263 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.299 263 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.299 263 G C 0.694 175.658 174.900 0.105 0.000 1.310 263 G CA 0.332 45.470 45.100 0.064 0.000 0.994 263 G HN 0.515 nan 8.290 nan 0.000 0.575 264 E N 1.315 121.588 120.200 0.122 0.000 2.307 264 E HA 0.215 4.565 4.350 -0.000 0.000 0.195 264 E C 1.274 178.078 176.600 0.341 0.000 0.975 264 E CA 0.982 57.467 56.400 0.142 0.000 0.878 264 E CB -0.056 29.689 29.700 0.074 0.000 0.845 264 E HN 0.523 nan 8.360 nan 0.000 0.488 265 T N 1.626 116.359 114.554 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 -0.236 62.004 62.100 0.234 0.000 1.109 265 T CB 1.420 70.353 68.868 0.110 0.000 0.932 265 T HN -0.050 nan 8.240 nan 0.000 0.518 266 Q N 2.818 122.523 119.800 -0.159 0.000 2.296 266 Q HA 0.298 4.638 4.340 -0.000 0.000 0.257 266 Q C 0.175 175.941 176.000 -0.391 0.000 0.942 266 Q CA -0.487 54.829 55.803 -0.813 0.000 0.939 266 Q CB 0.917 28.867 28.738 -1.313 0.000 1.198 266 Q HN 0.558 nan 8.270 nan 0.000 0.429 267 V N 2.710 122.431 119.914 -0.322 0.000 2.685 267 V HA 0.298 4.418 4.120 -0.000 0.000 0.244 267 V C 0.414 176.413 176.094 -0.159 0.000 1.054 267 V CA 1.137 63.356 62.300 -0.135 0.000 1.076 267 V CB 0.159 32.000 31.823 0.029 0.000 0.725 267 V HN 0.798 nan 8.190 nan 0.000 0.467 268 A N -1.352 121.333 122.820 -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 20.728 19.000 -0.110 0.000 1.278 268 A HN 0.008 nan 8.150 nan 0.000 0.412 269 S N -1.176 114.437 115.700 -0.144 0.000 2.556 269 S HA 0.870 5.340 4.470 -0.000 0.000 0.271 269 S C -0.521 174.034 174.600 -0.074 0.000 1.135 269 S CA 0.148 58.278 58.200 -0.116 0.000 0.858 269 S CB 1.947 65.074 63.200 -0.122 0.000 1.114 269 S HN 2.266 nan 8.310 nan 0.000 0.468 270 G N 1.337 110.105 108.800 -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 5.234 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 0.126 62.219 62.100 -0.012 0.000 0.986 271 T CB 1.769 70.664 68.868 0.045 0.000 1.021 271 T HN 1.653 nan 8.240 nan 0.000 0.458 272 A N 3.600 126.358 122.820 -0.103 0.000 2.566 272 A HA 0.901 5.221 4.320 -0.000 0.000 0.290 272 A C -3.220 174.231 177.584 -0.222 0.000 1.071 272 A CA -1.461 50.495 52.037 -0.136 0.000 0.658 272 A CB 1.250 20.168 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 -0.711 176.474 177.300 -0.191 0.000 1.279 273 P CA -0.451 62.558 63.100 -0.151 0.000 0.867 273 P CB 0.487 32.161 31.700 -0.044 0.000 1.127 274 F N 0.769 120.670 119.950 -0.082 0.000 2.539 274 F HA 0.407 4.933 4.527 -0.000 0.000 0.340 274 F C 1.586 177.364 175.800 -0.037 0.000 1.185 274 F CA 1.887 59.850 58.000 -0.062 0.000 1.333 274 F CB -0.085 38.870 39.000 -0.074 0.000 1.152 274 F HN 0.600 nan 8.300 nan 0.000 0.602 275 G N 1.341 110.261 108.800 0.200 0.000 3.393 275 G HA2 0.350 4.310 3.960 -0.000 0.000 0.676 275 G HA3 0.350 4.310 3.960 -0.000 0.000 0.676 275 G C -0.432 174.513 174.900 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 0.674 4.634 3.960 -0.000 0.000 0.281 276 G HA3 0.674 4.634 3.960 -0.000 0.000 0.281 276 G C 0.165 175.100 174.900 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 -0.942 119.289 120.200 0.052 0.000 2.374 277 E HA 0.311 4.661 4.350 -0.000 0.000 0.260 277 E C -0.271 176.348 176.600 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 30.534 29.700 0.027 0.000 1.014 277 E HN 0.219 nan 8.360 nan 0.000 0.427 278 I N 2.476 123.053 120.570 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 61.908 61.300 -0.000 0.000 1.429 278 I CB 0.154 38.150 38.000 -0.007 0.000 1.371 278 I HN 0.622 nan 8.210 nan 0.000 0.569 279 I N 1.756 122.323 120.570 -0.006 0.000 3.883 279 I HA 0.315 4.485 4.170 -0.000 0.000 0.305 279 I C -0.259 175.854 176.117 -0.006 0.000 1.247 279 I CA 0.315 61.621 61.300 0.011 0.000 1.350 279 I CB 0.386 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 -0.013 120.371 120.400 -0.027 0.000 2.921 280 D HA 0.180 4.820 4.640 -0.000 0.000 0.329 280 D C 0.275 176.557 176.300 -0.029 0.000 1.293 280 D CA -0.455 53.531 54.000 -0.023 0.000 0.964 280 D CB 0.615 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 -0.880 119.305 120.200 -0.024 0.000 2.267 281 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 281 E C 1.451 178.032 176.600 -0.032 0.000 0.998 281 E CA 1.009 57.395 56.400 -0.023 0.000 0.830 281 E CB -0.052 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 0.251 4.591 4.340 -0.000 0.000 0.199 282 R C 0.769 177.027 176.300 -0.070 0.000 0.920 282 R CA 0.660 56.727 56.100 -0.056 0.000 1.046 282 R CB 0.797 31.059 30.300 -0.064 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.488 108.269 108.800 -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 -0.509 174.331 174.900 -0.101 0.000 1.269 283 G CA -0.651 44.405 45.100 -0.073 0.000 1.170 283 G HN 0.381 nan 8.290 nan 0.000 0.511 284 G N -1.827 106.908 108.800 -0.108 0.000 3.140 284 G HA2 0.651 4.610 3.960 -0.000 0.000 0.271 284 G HA3 0.651 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 0.686 120.998 120.300 0.020 0.000 2.404 285 Y HA 0.417 4.967 4.550 -0.000 0.000 0.344 285 Y C 1.410 177.333 175.900 0.039 0.000 0.995 285 Y CA 0.189 58.305 58.100 0.026 0.000 1.201 285 Y CB 1.865 40.347 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 -0.320 120.155 120.400 0.126 0.000 2.561 287 D HA 0.160 4.800 4.640 -0.000 0.000 0.232 287 D C 0.327 176.759 176.300 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 40.624 40.800 -0.067 0.000 0.992 287 D HN 0.430 nan 8.370 nan 0.000 0.490 288 R N -1.042 119.696 120.500 0.396 0.000 2.781 288 R HA 0.754 5.094 4.340 -0.000 0.000 0.269 288 R C -1.601 174.825 176.300 0.209 0.000 1.025 288 R CA -1.227 55.063 56.100 0.318 0.000 0.914 288 R CB 2.741 33.088 30.300 0.078 0.000 1.236 288 R HN -0.015 nan 8.270 nan 0.000 0.465 289 V N 0.162 120.074 119.914 -0.003 0.000 3.000 289 V HA 0.498 4.617 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 7.450 121.954 114.554 -0.084 0.000 2.792 290 T HA 0.727 5.077 4.350 -0.000 0.000 0.280 290 T C -0.714 173.945 174.700 -0.069 0.000 0.990 290 T CA -0.208 61.853 62.100 -0.065 0.000 0.960 290 T CB 1.168 70.016 68.868 -0.034 0.000 0.939 290 T HN 0.534 nan 8.240 nan 0.000 0.439 291 L N 3.061 124.244 121.223 -0.066 0.000 2.330 291 L HA 0.640 4.979 4.340 -0.000 0.000 0.271 291 L C 0.408 177.251 176.870 -0.046 0.000 1.013 291 L CA -0.736 54.068 54.840 -0.061 0.000 0.816 291 L CB 1.441 43.459 42.059 -0.068 0.000 1.287 291 L HN 0.372 nan 8.230 nan 0.000 0.435 292 R N 3.230 123.702 120.500 -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 31.602 30.300 -0.041 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.828 124.026 121.223 -0.041 0.000 2.307 293 L HA 0.459 4.798 4.340 -0.000 0.000 0.284 293 L C -0.025 176.819 176.870 -0.043 0.000 1.023 293 L CA -1.086 53.728 54.840 -0.043 0.000 0.810 293 L CB 1.330 43.364 42.059 -0.041 0.000 1.231 293 L HN 0.425 nan 8.230 nan 0.000 0.423 294 N N 2.353 121.022 118.700 -0.053 0.000 2.479 294 N HA 0.445 5.184 4.740 -0.000 0.000 0.285 294 N C -0.863 174.600 175.510 -0.078 0.000 1.075 294 N CA -0.308 52.706 53.050 -0.061 0.000 0.967 294 N CB 2.767 41.220 38.487 -0.056 0.000 1.137 294 N HN 0.221 nan 8.380 nan 0.000 0.472 295 V N 1.859 121.708 119.914 -0.107 0.000 2.525 295 V HA 0.219 4.338 4.120 -0.000 0.000 0.299 295 V C -0.099 175.908 176.094 -0.145 0.000 1.034 295 V CA -0.843 61.359 62.300 -0.163 0.000 0.863 295 V CB 2.104 33.733 31.823 -0.323 0.000 0.999 295 V HN 0.510 nan 8.190 nan 0.000 0.423 296 E N 3.669 123.810 120.200 -0.099 0.000 2.231 296 E HA 0.332 4.681 4.350 -0.000 0.000 0.277 296 E C -0.154 176.415 176.600 -0.052 0.000 0.999 296 E CA -0.499 55.865 56.400 -0.060 0.000 0.827 296 E CB 0.845 30.524 29.700 -0.034 0.000 1.101 296 E HN 0.669 nan 8.360 nan 0.000 0.393 297 N N 1.668 120.357 118.700 -0.018 0.000 2.688 297 N HA -0.116 4.624 4.740 -0.000 0.000 0.258 297 N C -2.340 173.164 175.510 -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 37.326 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 1.537 122.043 120.400 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 2.571 123.883 121.223 0.148 0.000 2.395 300 L HA 0.297 4.637 4.340 -0.000 0.000 0.269 300 L C -0.077 176.872 176.870 0.131 0.000 1.133 300 L CA -0.691 54.237 54.840 0.146 0.000 0.812 300 L CB 0.401 42.391 42.059 -0.115 0.000 1.125 300 L HN 0.598 nan 8.230 nan 0.000 0.452 301 W N 3.187 124.512 121.300 0.041 0.000 2.376 301 W HA 0.478 5.138 4.660 -0.000 0.000 0.322 301 W C 0.087 176.542 176.519 -0.105 0.000 1.160 301 W CA 0.113 57.461 57.345 0.005 0.000 1.218 301 W CB 1.357 30.866 29.460 0.081 0.000 1.205 301 W HN 0.618 nan 8.180 nan 0.000 0.559 302 S N 2.872 117.977 115.700 -0.992 0.000 2.615 302 S HA 0.633 5.102 4.470 -0.000 0.000 0.269 302 S C -0.006 173.828 174.600 -1.277 0.000 1.161 302 S CA -0.336 57.363 58.200 -0.835 0.000 0.817 302 S CB 1.090 63.997 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 4.446 4.320 -0.000 0.000 0.218 303 A C 1.701 178.969 177.584 -0.526 0.000 1.157 303 A CA 1.244 52.718 52.037 -0.937 0.000 0.670 303 A CB -0.850 17.472 19.000 -1.130 0.000 0.804 303 A HN 0.869 nan 8.150 nan 0.000 0.453 304 E N -0.776 119.242 120.200 -0.304 0.000 2.112 304 E HA 0.085 4.434 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 56.970 56.400 -0.185 0.000 0.814 304 E CB 0.075 29.794 29.700 0.032 0.000 0.762 304 E HN 0.591 nan 8.360 nan 0.000 0.460 305 I N 1.415 121.806 120.570 -0.298 0.000 2.576 305 I HA 0.146 4.316 4.170 -0.000 0.000 0.279 305 I C -2.601 173.277 176.117 -0.398 0.000 1.114 305 I CA -1.864 59.283 61.300 -0.254 0.000 1.076 305 I CB 2.203 40.104 38.000 -0.165 0.000 1.212 305 I HN -0.235 nan 8.210 nan 0.000 0.472 306 P HA 0.081 nan 4.420 nan 0.000 0.226 306 P C -0.582 176.704 177.300 -0.023 0.000 1.783 306 P CA -0.160 62.645 63.100 -0.491 0.000 0.980 306 P CB -0.353 31.239 31.700 -0.180 0.000 1.967 307 N N 1.878 120.589 118.700 0.017 0.000 2.468 307 N HA 0.120 4.860 4.740 -0.000 0.000 0.265 307 N C 0.134 175.869 175.510 0.376 0.000 1.199 307 N CA 0.358 53.495 53.050 0.147 0.000 0.928 307 N CB 0.843 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 2.238 123.601 121.223 0.235 0.000 2.323 308 L HA 0.526 4.865 4.340 -0.000 0.000 0.265 308 L C -0.803 176.155 176.870 0.147 0.000 1.012 308 L CA -0.890 54.116 54.840 0.277 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 -0.078 120.348 120.300 0.211 0.000 2.602 309 Y HA 0.576 5.126 4.550 -0.000 0.000 0.342 309 Y C -0.324 175.683 175.900 0.179 0.000 1.029 309 Y CA -0.828 57.404 58.100 0.219 0.000 1.080 309 Y CB 2.052 40.691 38.460 0.298 0.000 1.284 309 Y HN 0.383 nan 8.280 nan 0.000 0.485 310 R N 1.187 121.924 120.500 0.394 0.000 2.445 310 R HA 0.860 5.200 4.340 -0.000 0.000 0.308 310 R C -1.514 174.991 176.300 0.340 0.000 0.961 310 R CA -0.618 55.652 56.100 0.283 0.000 0.862 310 R CB 1.043 31.427 30.300 0.141 0.000 1.144 310 R HN 0.794 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 1.593 20.689 19.000 0.159 0.000 1.213 311 A HN 0.459 nan 8.150 nan 0.000 0.456 312 V N 2.385 122.388 119.914 0.149 0.000 2.540 312 V HA 0.525 4.645 4.120 -0.000 0.000 0.302 312 V C -0.448 175.642 176.094 -0.005 0.000 1.035 312 V CA -0.639 61.690 62.300 0.049 0.000 0.873 312 V CB 1.582 33.450 31.823 0.076 0.000 0.992 312 V HN 0.620 nan 8.190 nan 0.000 0.428 313 V N 4.723 124.574 119.914 -0.106 0.000 2.350 313 V HA 0.465 4.585 4.120 -0.000 0.000 0.285 313 V C -0.173 175.874 176.094 -0.079 0.000 1.014 313 V CA -0.545 61.667 62.300 -0.146 0.000 0.831 313 V CB 1.332 32.931 31.823 -0.374 0.000 1.000 313 V HN 1.028 nan 8.190 nan 0.000 0.433 314 E N 5.013 125.213 120.200 -0.000 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 -1.064 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 5.305 126.582 121.223 0.091 0.000 2.261 315 L HA 0.270 4.610 4.340 -0.000 0.000 0.289 315 L C -0.598 176.348 176.870 0.126 0.000 1.059 315 L CA 0.154 55.030 54.840 0.061 0.000 0.816 315 L CB -0.127 41.949 42.059 0.028 0.000 1.191 315 L HN 0.686 nan 8.230 nan 0.000 0.431 316 H N 1.243 120.340 119.070 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 55.724 56.048 0.057 0.000 1.144 316 H CB 1.031 30.818 29.762 0.041 0.000 1.866 316 H HN 0.488 nan 8.280 nan 0.000 0.545 317 T N -2.620 112.092 114.554 0.262 0.000 2.927 317 T HA 0.528 4.878 4.350 -0.000 0.000 0.281 317 T C 1.479 176.359 174.700 0.300 0.000 0.998 317 T CA -0.226 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 1.832 53.983 52.037 0.189 0.000 0.636 318 A CB -1.072 18.023 19.000 0.159 0.000 0.810 318 A HN 0.999 nan 8.150 nan 0.000 0.448 319 D N -1.902 118.579 120.400 0.134 0.000 2.178 319 D HA 0.067 4.707 4.640 -0.000 0.000 0.201 319 D C 1.330 177.676 176.300 0.077 0.000 0.980 319 D CA 1.392 55.439 54.000 0.079 0.000 0.842 319 D CB -0.316 40.508 40.800 0.040 0.000 0.948 319 D HN 0.843 nan 8.370 nan 0.000 0.472 320 G N -0.075 108.798 108.800 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 0.244 175.163 174.900 0.030 0.000 1.006 320 G CA 0.036 45.160 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 0.426 4.776 4.350 -0.000 0.000 0.293 321 T C 0.590 175.365 174.700 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 5.021 126.294 121.223 0.084 0.000 2.410 322 L HA 0.204 4.544 4.340 -0.000 0.000 0.273 322 L C 0.696 177.622 176.870 0.095 0.000 1.144 322 L CA -0.352 54.550 54.840 0.104 0.000 0.863 322 L CB 0.437 42.530 42.059 0.056 0.000 1.140 322 L HN 0.641 nan 8.230 nan 0.000 0.463 323 I N 3.493 124.124 120.570 0.102 0.000 2.339 323 I HA 0.028 4.197 4.170 -0.000 0.000 0.245 323 I C 0.612 176.743 176.117 0.023 0.000 1.096 323 I CA 0.852 62.185 61.300 0.055 0.000 1.408 323 I CB 0.008 38.032 38.000 0.039 0.000 1.092 323 I HN 0.751 nan 8.210 nan 0.000 0.423 324 E N -0.413 119.803 120.200 0.026 0.000 2.409 324 E HA 0.709 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 1.371 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 1.325 124.193 122.820 0.080 0.000 2.475 325 A HA 0.724 5.043 4.320 -0.000 0.000 0.301 325 A C -1.124 176.580 177.584 0.199 0.000 1.059 325 A CA -0.703 51.392 52.037 0.098 0.000 0.710 325 A CB 1.811 20.867 19.000 0.093 0.000 1.288 325 A HN 0.530 nan 8.150 nan 0.000 0.408 326 E N -0.380 119.873 120.200 0.088 0.000 2.392 326 E HA 0.792 5.141 4.350 -0.000 0.000 0.269 326 E C -0.585 176.052 176.600 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 0.090 123.066 122.820 0.261 0.000 2.588 327 A HA 0.843 5.163 4.320 -0.000 0.000 0.290 327 A C -1.130 176.641 177.584 0.311 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 -0.877 118.567 119.300 0.240 0.000 3.292 328 C HA 0.740 5.200 4.460 -0.000 0.000 0.338 328 C C -1.667 173.414 174.990 0.151 0.000 1.323 328 C CA -1.011 58.142 59.018 0.225 0.000 1.232 328 C CB 0.943 28.834 27.740 0.251 0.000 1.517 328 C HN 0.808 nan 8.230 nan 0.000 0.470 329 D N 1.058 121.523 120.400 0.109 0.000 2.256 329 D HA 0.567 5.207 4.640 -0.000 0.000 0.250 329 D C -0.424 175.914 176.300 0.062 0.000 1.093 329 D CA 0.121 54.185 54.000 0.107 0.000 0.882 329 D CB 2.025 42.888 40.800 0.104 0.000 1.185 329 D HN 0.536 nan 8.370 nan 0.000 0.437 330 V N 1.058 121.035 119.914 0.105 0.000 2.604 330 V HA 0.671 4.791 4.120 -0.000 0.000 0.305 330 V C 0.516 176.642 176.094 0.054 0.000 1.043 330 V CA -0.746 61.556 62.300 0.003 0.000 0.888 330 V CB 2.115 33.919 31.823 -0.032 0.000 0.995 330 V HN 0.633 nan 8.190 nan 0.000 0.429 331 G N 2.836 111.567 108.800 -0.115 0.000 2.478 331 G HA2 0.629 4.589 3.960 -0.000 0.000 0.317 331 G HA3 0.629 4.589 3.960 -0.000 0.000 0.317 331 G C -1.175 173.730 174.900 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 2.227 122.340 119.950 0.272 0.000 2.404 332 F HA 0.508 5.034 4.527 -0.000 0.000 0.359 332 F C 1.006 177.033 175.800 0.378 0.000 1.134 332 F CA -0.232 57.977 58.000 0.348 0.000 1.160 332 F CB 0.947 40.171 39.000 0.373 0.000 1.186 332 F HN 0.478 nan 8.300 nan 0.000 0.526 333 R N 1.221 121.988 120.500 0.445 0.000 2.710 333 R HA 0.552 4.891 4.340 -0.000 0.000 0.270 333 R C -1.604 174.819 176.300 0.205 0.000 1.021 333 R CA -1.142 55.079 56.100 0.201 0.000 0.889 333 R CB 1.797 32.235 30.300 0.229 0.000 1.243 333 R HN 0.432 nan 8.270 nan 0.000 0.464 334 E N 1.727 121.944 120.200 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 2.150 31.969 29.700 0.199 0.000 1.148 334 E HN 0.415 nan 8.360 nan 0.000 0.412 335 V N 5.588 125.550 119.914 0.081 0.000 2.384 335 V HA 0.578 4.698 4.120 -0.000 0.000 0.287 335 V C -0.146 175.978 176.094 0.049 0.000 1.020 335 V CA -0.545 61.779 62.300 0.040 0.000 0.850 335 V CB 1.219 33.048 31.823 0.010 0.000 0.987 335 V HN 0.726 nan 8.190 nan 0.000 0.436 336 R N 4.339 124.866 120.500 0.044 0.000 2.710 336 R HA 0.707 5.047 4.340 -0.000 0.000 0.270 336 R C -2.013 174.307 176.300 0.033 0.000 1.021 336 R CA -0.939 55.190 56.100 0.047 0.000 0.889 336 R CB 1.856 32.197 30.300 0.067 0.000 1.243 336 R HN 0.501 nan 8.270 nan 0.000 0.464 337 I N 1.499 122.089 120.570 0.033 0.000 2.339 337 I HA 0.325 4.494 4.170 -0.000 0.000 0.290 337 I C -0.642 175.492 176.117 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 6.509 126.723 120.200 0.024 0.000 2.278 338 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 338 E C -0.311 176.300 176.600 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 0.480 175.994 175.510 0.007 0.000 1.083 339 N CA 2.136 55.193 53.050 0.012 0.000 0.703 339 N CB -1.241 37.253 38.487 0.011 0.000 1.005 339 N HN 1.059 nan 8.380 nan 0.000 0.550 340 G N -2.247 106.557 108.800 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 45.620 45.100 0.000 0.000 0.641 340 G HN 0.478 nan 8.290 nan 0.000 0.530 341 L N -0.053 121.165 121.223 -0.007 0.000 2.354 341 L HA 0.749 5.089 4.340 -0.000 0.000 0.269 341 L C -0.038 176.822 176.870 -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 3.687 124.888 121.223 -0.036 0.000 2.265 342 L HA 0.505 4.845 4.340 -0.000 0.000 0.288 342 L C -0.947 175.899 176.870 -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 5.664 126.878 121.223 -0.015 0.000 2.342 343 L HA 0.587 4.927 4.340 -0.000 0.000 0.271 343 L C -0.906 175.965 176.870 0.002 0.000 1.008 343 L CA -0.859 53.980 54.840 -0.002 0.000 0.818 343 L CB 2.017 44.096 42.059 0.034 0.000 1.296 343 L HN 0.560 nan 8.230 nan 0.000 0.427 344 L N 2.980 124.214 121.223 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 -0.091 54.767 54.840 0.030 0.000 0.828 344 L CB 1.031 43.112 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 1.389 54.105 53.050 -0.558 0.000 0.710 345 N CB -1.222 36.815 38.487 -0.750 0.000 0.993 345 N HN 1.185 nan 8.380 nan 0.000 0.547 346 G N -1.953 106.845 108.800 -0.004 0.000 2.217 346 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.246 346 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.246 346 G C -0.092 174.856 174.900 0.080 0.000 0.990 346 G CA 0.782 45.961 45.100 0.132 0.000 0.627 346 G HN 0.464 nan 8.290 nan 0.000 0.522 347 K N 1.003 121.440 120.400 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 -2.090 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 -0.179 177.068 177.300 -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 3.194 124.357 121.223 -0.100 0.000 2.468 349 L HA 0.388 4.727 4.340 -0.000 0.000 0.254 349 L C 0.510 177.305 176.870 -0.125 0.000 1.171 349 L CA -0.679 54.091 54.840 -0.117 0.000 0.809 349 L CB 0.327 42.279 42.059 -0.179 0.000 1.155 349 L HN 0.235 nan 8.230 nan 0.000 0.473 350 L N 2.490 123.653 121.223 -0.101 0.000 2.471 350 L HA 0.424 4.763 4.340 -0.000 0.000 0.263 350 L C -0.691 176.130 176.870 -0.082 0.000 0.985 350 L CA -0.135 54.633 54.840 -0.121 0.000 0.868 350 L CB 0.992 43.009 42.059 -0.069 0.000 1.203 350 L HN 0.229 nan 8.230 nan 0.000 0.429 351 I N 4.678 125.134 120.570 -0.189 0.000 2.379 351 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 351 I C 0.436 176.497 176.117 -0.093 0.000 1.063 351 I CA -0.025 61.172 61.300 -0.172 0.000 1.351 351 I CB 0.633 38.413 38.000 -0.367 0.000 1.410 351 I HN 0.579 nan 8.210 nan 0.000 0.505 352 R N 4.747 125.268 120.500 0.035 0.000 3.070 352 R HA 0.451 4.791 4.340 -0.000 0.000 0.252 352 R C 0.503 176.887 176.300 0.141 0.000 1.370 352 R CA -0.239 55.912 56.100 0.084 0.000 1.482 352 R CB 0.849 31.047 30.300 -0.171 0.000 1.220 352 R HN 0.782 nan 8.270 nan 0.000 0.622 353 G N 0.059 108.900 108.800 0.069 0.000 2.537 353 G HA2 0.608 4.568 3.960 -0.000 0.000 0.323 353 G HA3 0.608 4.568 3.960 -0.000 0.000 0.323 353 G C -1.341 173.847 174.900 0.480 0.000 1.207 353 G CA -0.499 44.663 45.100 0.104 0.000 0.976 353 G HN 0.241 nan 8.290 nan 0.000 0.487 354 V N 0.029 120.222 119.914 0.465 0.000 2.971 354 V HA 0.482 4.601 4.120 -0.000 0.000 0.309 354 V C -1.144 175.089 176.094 0.232 0.000 1.130 354 V CA -1.204 61.259 62.300 0.271 0.000 0.964 354 V CB 2.212 33.918 31.823 -0.194 0.000 1.029 354 V HN 0.761 nan 8.190 nan 0.000 0.427 355 N N 4.370 123.137 118.700 0.112 0.000 2.499 355 N HA 0.474 5.214 4.740 -0.000 0.000 0.281 355 N C -0.796 174.528 175.510 -0.311 0.000 1.098 355 N CA -0.362 52.631 53.050 -0.096 0.000 0.979 355 N CB 1.661 40.102 38.487 -0.077 0.000 1.121 355 N HN 0.633 nan 8.380 nan 0.000 0.466 356 R N 2.028 122.314 120.500 -0.357 0.000 2.514 356 R HA 0.236 4.576 4.340 -0.000 0.000 0.296 356 R C -0.989 175.083 176.300 -0.380 0.000 1.012 356 R CA -0.549 55.351 56.100 -0.333 0.000 0.897 356 R CB 0.960 31.066 30.300 -0.324 0.000 1.184 356 R HN 0.588 nan 8.270 nan 0.000 0.440 357 H N 2.050 120.972 119.070 -0.246 0.000 2.508 357 H HA 0.141 4.697 4.556 -0.000 0.000 0.358 357 H C -0.506 174.810 175.328 -0.019 0.000 1.212 357 H CA -0.084 55.904 56.048 -0.100 0.000 1.356 357 H CB 1.516 31.272 29.762 -0.011 0.000 1.525 357 H HN 0.558 nan 8.280 nan 0.000 0.578 358 E N 1.594 121.981 120.200 0.312 0.000 1.941 358 E HA 0.104 4.454 4.350 -0.000 0.000 0.275 358 E C -0.775 175.962 176.600 0.229 0.000 1.113 358 E CA 0.011 56.513 56.400 0.170 0.000 0.878 358 E CB 0.164 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 1.518 120.631 119.070 0.072 0.000 2.865 359 H HA 0.255 4.811 4.556 -0.000 0.000 0.362 359 H C -1.625 173.735 175.328 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 0.366 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 1.374 178.561 177.300 -0.187 0.000 1.148 361 P CA 0.923 63.860 63.100 -0.272 0.000 0.828 361 P CB 0.827 32.408 31.700 -0.198 0.000 0.783 362 L N -1.870 119.337 121.223 -0.027 0.000 2.269 362 L HA 0.047 4.387 4.340 -0.000 0.000 0.200 362 L C 2.388 179.112 176.870 -0.242 0.000 1.069 362 L CA 0.902 55.644 54.840 -0.164 0.000 0.804 362 L CB -0.693 41.161 42.059 -0.341 0.000 0.987 362 L HN 0.009 nan 8.230 nan 0.000 0.468 363 H N -0.696 118.315 119.070 -0.099 0.000 2.539 363 H HA 0.207 4.763 4.556 -0.000 0.000 0.267 363 H C 1.390 176.597 175.328 -0.202 0.000 0.982 363 H CA 0.135 56.042 56.048 -0.234 0.000 1.146 363 H CB 0.316 29.839 29.762 -0.399 0.000 1.382 363 H HN 0.447 nan 8.280 nan 0.000 0.577 364 G N 1.486 110.192 108.800 -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 0.599 175.402 174.900 -0.162 0.000 1.153 364 G CA 0.305 45.258 45.100 -0.245 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 0.454 176.503 176.000 0.081 0.000 0.903 365 Q CA -0.058 55.708 55.803 -0.061 0.000 0.948 365 Q CB 0.869 29.462 28.738 -0.241 0.000 1.058 365 Q HN 0.383 nan 8.270 nan 0.000 0.493 366 V N 1.851 121.811 119.914 0.076 0.000 2.498 366 V HA 0.189 4.308 4.120 -0.000 0.000 0.279 366 V C 0.161 176.298 176.094 0.072 0.000 1.048 366 V CA -0.026 62.339 62.300 0.107 0.000 0.967 366 V CB 1.023 32.852 31.823 0.011 0.000 0.988 366 V HN 0.315 nan 8.190 nan 0.000 0.473 367 M N 4.361 123.996 119.600 0.057 0.000 2.598 367 M HA 0.569 5.049 4.480 -0.000 0.000 0.317 367 M C -0.600 175.634 176.300 -0.110 0.000 1.201 367 M CA -0.743 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 -1.892 118.459 120.400 -0.082 0.000 2.602 368 D HA 0.223 4.863 4.640 -0.000 0.000 0.236 368 D C 0.286 176.574 176.300 -0.021 0.000 1.209 368 D CA -0.649 53.308 54.000 -0.071 0.000 0.831 368 D CB 1.233 42.024 40.800 -0.016 0.000 1.478 368 D HN 0.687 nan 8.370 nan 0.000 0.438 369 E N -0.012 120.190 120.200 0.003 0.000 2.086 369 E HA -0.369 3.980 4.350 -0.000 0.000 0.200 369 E C 1.546 178.201 176.600 0.091 0.000 1.012 369 E CA 1.570 58.007 56.400 0.061 0.000 0.812 369 E CB 0.082 29.831 29.700 0.082 0.000 0.743 369 E HN 0.567 nan 8.360 nan 0.000 0.453 370 Q N -0.352 119.500 119.800 0.087 0.000 2.061 370 Q HA -0.168 4.171 4.340 -0.000 0.000 0.204 370 Q C 2.221 178.289 176.000 0.113 0.000 0.984 370 Q CA 2.293 58.155 55.803 0.099 0.000 0.846 370 Q CB -0.181 28.615 28.738 0.097 0.000 0.902 370 Q HN 0.370 nan 8.270 nan 0.000 0.421 371 T N 1.139 115.772 114.554 0.131 0.000 2.622 371 T HA -0.183 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 -0.155 4.325 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 1.544 57.008 55.300 0.274 0.000 1.096 372 M CB -0.760 32.028 32.600 0.313 0.000 1.330 372 M HN 0.116 nan 8.290 nan 0.000 0.403 373 V N -0.253 119.731 119.914 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 1.788 64.087 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 2.030 178.110 176.000 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 0.373 120.876 120.400 0.172 0.000 2.092 375 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 375 D C 1.866 178.144 176.300 -0.037 0.000 0.994 375 D CA 1.179 55.293 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 0.662 121.187 120.570 -0.076 0.000 2.208 376 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 376 I C 2.386 178.378 176.117 -0.208 0.000 1.097 376 I CA 0.682 61.836 61.300 -0.244 0.000 1.363 376 I CB -0.144 37.601 38.000 -0.426 0.000 1.051 376 I HN 0.050 nan 8.210 nan 0.000 0.413 377 L N -0.008 121.137 121.223 -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 1.513 56.357 54.840 0.006 0.000 0.745 377 L CB -0.740 41.340 42.059 0.035 0.000 0.898 377 L HN 0.317 nan 8.230 nan 0.000 0.433 378 L N -0.755 120.566 121.223 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 1.453 56.475 54.840 0.303 0.000 0.748 378 L CB -0.313 42.053 42.059 0.512 0.000 0.891 378 L HN 0.309 nan 8.230 nan 0.000 0.431 379 M N -0.640 118.980 119.600 0.033 0.000 2.065 379 M HA -0.260 4.220 4.480 -0.000 0.000 0.259 379 M C 2.338 178.712 176.300 0.123 0.000 1.071 379 M CA 1.870 57.109 55.300 -0.102 0.000 1.109 379 M CB -0.426 31.893 32.600 -0.467 0.000 1.313 379 M HN 0.104 nan 8.290 nan 0.000 0.408 380 K N 0.107 120.484 120.400 -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 0.173 120.130 119.800 0.262 0.000 2.369 381 Q HA -0.018 4.322 4.340 -0.000 0.000 0.206 381 Q C 0.863 177.156 176.000 0.489 0.000 0.963 381 Q CA 0.574 56.651 55.803 0.456 0.000 0.894 381 Q CB 0.167 29.154 28.738 0.414 0.000 0.965 381 Q HN 0.246 nan 8.270 nan 0.000 0.475 382 N N 0.670 119.615 118.700 0.409 0.000 2.279 382 N HA 0.051 4.791 4.740 -0.000 0.000 0.226 382 N C -0.597 175.030 175.510 0.195 0.000 1.126 382 N CA 0.062 53.346 53.050 0.390 0.000 0.846 382 N CB 0.656 39.450 38.487 0.512 0.000 1.050 382 N HN 0.162 nan 8.380 nan 0.000 0.502 383 N N 0.005 118.812 118.700 0.177 0.000 2.829 383 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 383 N C -0.846 174.562 175.510 -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 36.666 38.487 -0.144 0.000 1.124 383 N HN 0.229 nan 8.380 nan 0.000 0.559 384 F N 1.182 121.131 119.950 -0.002 0.000 2.375 384 F HA 0.323 4.849 4.527 -0.000 0.000 0.333 384 F C 1.790 177.573 175.800 -0.028 0.000 1.104 384 F CA -0.502 57.483 58.000 -0.025 0.000 1.149 384 F CB 0.811 39.776 39.000 -0.058 0.000 1.190 384 F HN 0.045 nan 8.300 nan 0.000 0.533 385 N N 0.616 119.430 118.700 0.191 0.000 2.160 385 N HA 0.436 5.176 4.740 -0.000 0.000 0.226 385 N C -0.859 174.715 175.510 0.107 0.000 1.256 385 N CA 0.017 53.122 53.050 0.091 0.000 0.890 385 N CB 0.726 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 -0.540 122.401 122.820 0.202 0.000 2.612 386 A HA 0.765 5.085 4.320 -0.000 0.000 0.293 386 A C -1.748 176.044 177.584 0.346 0.000 1.075 386 A CA -0.635 51.578 52.037 0.294 0.000 0.680 386 A CB 1.734 20.949 19.000 0.358 0.000 1.279 386 A HN 0.287 nan 8.150 nan 0.000 0.411 387 V N 0.787 120.950 119.914 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 0.180 0.000 1.029 387 V HN 1.167 nan 8.190 nan 0.000 0.427 388 R N 4.477 124.975 120.500 -0.004 0.000 2.387 388 R HA 0.493 4.833 4.340 -0.000 0.000 0.314 388 R C -0.800 175.371 176.300 -0.214 0.000 0.958 388 R CA -0.496 55.439 56.100 -0.275 0.000 0.846 388 R CB 1.275 31.154 30.300 -0.701 0.000 1.147 388 R HN 0.833 nan 8.270 nan 0.000 0.447 389 C N 4.222 123.422 119.300 -0.167 0.000 3.329 389 C HA 0.098 4.558 4.460 -0.000 0.000 0.537 389 C C 0.540 175.257 174.990 -0.455 0.000 1.034 389 C CA -0.422 58.443 59.018 -0.255 0.000 1.086 389 C CB -2.197 25.502 27.740 -0.068 0.000 1.392 389 C HN 0.687 nan 8.230 nan 0.000 0.612 390 S N 1.373 116.697 115.700 -0.626 0.000 2.481 390 S HA 0.154 4.624 4.470 -0.000 0.000 0.282 390 S C -0.113 173.625 174.600 -1.437 0.000 1.243 390 S CA 0.170 57.746 58.200 -1.039 0.000 1.078 390 S CB 0.077 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 3.537 121.991 119.070 -1.026 0.000 2.597 391 H HA 0.317 4.873 4.556 -0.000 0.000 0.225 391 H C -1.149 174.009 175.328 -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 -0.048 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 4.940 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 -2.977 55.228 58.100 0.174 0.000 1.119 392 Y CB -0.024 38.541 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 0.134 63.487 63.100 0.422 0.000 0.776 393 P CB 0.627 32.510 31.700 0.305 0.000 0.876 394 N N 0.164 119.155 118.700 0.485 0.000 2.491 394 N HA 0.115 4.855 4.740 -0.000 0.000 0.279 394 N C -0.042 175.694 175.510 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 -0.054 0.000 1.194 394 N HN 0.592 nan 8.380 nan 0.000 0.582 395 H N 1.794 120.966 119.070 0.170 0.000 3.034 395 H HA 0.014 4.570 4.556 -0.000 0.000 0.324 395 H C -1.732 173.778 175.328 0.304 0.000 1.015 395 H CA -0.795 55.360 56.048 0.178 0.000 1.429 395 H CB 1.043 30.869 29.762 0.107 0.000 1.429 395 H HN 0.396 nan 8.280 nan 0.000 0.585 396 P HA -0.226 nan 4.420 nan 0.000 0.217 396 P C 1.770 179.365 177.300 0.492 0.000 1.151 396 P CA 0.879 64.188 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 -1.502 120.083 121.223 0.604 0.000 2.201 397 L HA -0.038 4.301 4.340 -0.000 0.000 0.212 397 L C 2.258 179.341 176.870 0.354 0.000 1.105 397 L CA 1.346 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 0.053 nan 8.230 nan 0.000 0.440 398 W N -0.284 121.086 121.300 0.116 0.000 2.318 398 W HA -0.360 4.300 4.660 -0.000 0.000 0.313 398 W C 2.104 178.503 176.519 -0.199 0.000 1.221 398 W CA 2.081 59.348 57.345 -0.130 0.000 1.266 398 W CB -0.425 28.824 29.460 -0.352 0.000 1.150 398 W HN 0.279 nan 8.180 nan 0.000 0.496 399 Y N 0.581 120.831 120.300 -0.083 0.000 2.224 399 Y HA -0.230 4.320 4.550 -0.000 0.000 0.289 399 Y C 2.854 178.523 175.900 -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 36.580 38.460 -0.911 0.000 0.983 399 Y HN -0.198 nan 8.280 nan 0.000 0.524 400 T N 0.491 115.062 114.554 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 1.110 63.294 62.100 0.139 0.000 1.141 400 T CB -0.470 68.538 68.868 0.233 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.445 121.672 121.223 0.006 0.000 2.046 401 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 401 L C 2.864 179.726 176.870 -0.014 0.000 1.077 401 L CA 1.062 55.929 54.840 0.046 0.000 0.747 401 L CB -0.754 41.285 42.059 -0.033 0.000 0.896 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 C N -0.228 118.891 119.300 -0.301 0.000 2.425 402 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 402 C C 2.397 177.423 174.990 0.059 0.000 1.280 402 C CA 0.382 59.260 59.018 -0.232 0.000 1.744 402 C CB -0.844 26.649 27.740 -0.412 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.445 120.881 120.400 0.061 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 40.525 40.800 0.097 0.000 0.955 403 D HN 0.536 nan 8.370 nan 0.000 0.465 404 R N -0.967 119.612 120.500 0.130 0.000 2.080 404 R HA 0.012 4.352 4.340 -0.000 0.000 0.222 404 R C 2.173 178.397 176.300 -0.126 0.000 1.107 404 R CA 0.553 56.650 56.100 -0.005 0.000 0.980 404 R CB -0.174 30.038 30.300 -0.148 0.000 0.879 404 R HN 0.265 nan 8.270 nan 0.000 0.439 405 Y N -0.153 120.159 120.300 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 -0.114 0.000 1.123 405 Y CA 0.870 58.953 58.100 -0.028 0.000 1.227 405 Y CB 0.597 39.010 38.460 -0.078 0.000 1.012 405 Y HN 0.257 nan 8.280 nan 0.000 0.552 406 G N 1.136 109.958 108.800 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 -0.551 44.425 45.100 -0.208 0.000 1.230 406 G HN 0.158 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 0.021 176.852 176.870 -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 43.960 42.059 -0.166 0.000 1.310 407 L HN 0.413 nan 8.230 nan 0.000 0.409 408 Y N 1.791 122.197 120.300 0.177 0.000 2.319 408 Y HA 0.422 4.971 4.550 -0.000 0.000 0.328 408 Y C 0.205 176.216 175.900 0.185 0.000 1.133 408 Y CA -0.646 57.590 58.100 0.227 0.000 1.265 408 Y CB 1.376 39.955 38.460 0.198 0.000 1.218 408 Y HN 0.151 nan 8.280 nan 0.000 0.508 409 V N 3.752 123.846 119.914 0.300 0.000 2.735 409 V HA 0.384 4.504 4.120 -0.000 0.000 0.310 409 V C -0.703 175.476 176.094 0.142 0.000 1.061 409 V CA -1.039 61.386 62.300 0.208 0.000 0.913 409 V CB 2.067 33.980 31.823 0.151 0.000 1.005 409 V HN 0.450 nan 8.190 nan 0.000 0.428 410 V N 2.597 122.570 119.914 0.099 0.000 2.347 410 V HA 0.370 4.490 4.120 -0.000 0.000 0.280 410 V C -0.446 175.690 176.094 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 -0.274 176.204 176.300 0.296 0.000 1.114 411 D CA -0.049 54.111 54.000 0.268 0.000 0.854 411 D CB 1.333 42.336 40.800 0.339 0.000 1.132 411 D HN 0.694 nan 8.370 nan 0.000 0.461 412 E N 1.846 122.191 120.200 0.241 0.000 2.210 412 E HA 0.609 4.959 4.350 -0.000 0.000 0.266 412 E C -1.016 175.716 176.600 0.219 0.000 0.883 412 E CA -1.062 55.466 56.400 0.212 0.000 0.761 412 E CB 1.355 31.132 29.700 0.127 0.000 1.156 412 E HN 0.473 nan 8.360 nan 0.000 0.412 413 A N 3.808 126.752 122.820 0.206 0.000 2.483 413 A HA 0.020 4.339 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 -0.149 51.992 52.037 0.172 0.000 0.770 413 A CB 0.112 19.180 19.000 0.114 0.000 1.008 413 A HN 0.700 nan 8.150 nan 0.000 0.497 414 N N 1.317 120.142 118.700 0.209 0.000 3.103 414 N HA 0.226 4.966 4.740 -0.000 0.000 0.305 414 N C -0.950 174.683 175.510 0.204 0.000 1.232 414 N CA 0.227 53.431 53.050 0.258 0.000 1.190 414 N CB -0.867 37.779 38.487 0.265 0.000 1.461 414 N HN 0.476 nan 8.380 nan 0.000 0.538 415 I N 0.663 121.345 120.570 0.186 0.000 2.500 415 I HA 0.280 4.449 4.170 -0.000 0.000 0.286 415 I C -0.599 175.607 176.117 0.148 0.000 1.063 415 I CA -0.679 60.712 61.300 0.151 0.000 1.062 415 I CB 1.928 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 0.300 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 -0.435 56.024 56.400 0.097 0.000 0.802 416 E CB 1.596 31.339 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 1.018 175.768 174.700 0.085 0.000 1.003 417 T CA -0.220 61.951 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 -0.149 4.407 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 57.380 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 0.583 nan 8.280 nan 0.000 0.488 419 G N 0.243 108.880 108.800 -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 0.561 175.555 174.900 0.156 0.000 1.145 419 G CA -0.086 44.889 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 0.218 0.000 2.113 420 M HA 0.345 4.825 4.480 -0.000 0.000 0.288 420 M C -0.289 176.040 176.300 0.048 0.000 1.225 420 M CA -0.136 55.249 55.300 0.142 0.000 1.148 420 M CB 1.174 33.810 32.600 0.061 0.000 1.388 420 M HN -0.188 nan 8.290 nan 0.000 0.469 421 V N 2.206 122.127 119.914 0.012 0.000 2.567 421 V HA 0.326 4.446 4.120 -0.000 0.000 0.298 421 V C -2.142 173.939 176.094 -0.022 0.000 1.047 421 V CA -1.322 60.973 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 0.275 nan 4.420 nan 0.000 0.274 422 P C 1.098 178.393 177.300 -0.009 0.000 1.256 422 P CA -0.553 62.538 63.100 -0.016 0.000 0.795 422 P CB 0.753 32.445 31.700 -0.013 0.000 1.038 423 M N 0.813 120.413 119.600 0.001 0.000 2.260 423 M HA -0.205 4.274 4.480 -0.000 0.000 0.261 423 M C 0.965 177.275 176.300 0.018 0.000 1.066 423 M CA 1.924 57.233 55.300 0.016 0.000 1.082 423 M CB -0.380 32.223 32.600 0.004 0.000 1.388 423 M HN 0.386 nan 8.290 nan 0.000 0.419 424 N N -0.264 118.443 118.700 0.012 0.000 2.251 424 N HA -0.047 4.693 4.740 -0.000 0.000 0.217 424 N C 1.081 176.554 175.510 -0.063 0.000 1.124 424 N CA 0.056 53.108 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 0.537 120.990 120.500 -0.079 0.000 2.103 425 R HA -0.027 4.313 4.340 -0.000 0.000 0.242 425 R C 1.423 177.601 176.300 -0.203 0.000 1.142 425 R CA 1.555 57.584 56.100 -0.119 0.000 0.960 425 R CB -0.082 30.148 30.300 -0.116 0.000 0.858 425 R HN 0.304 nan 8.270 nan 0.000 0.439 426 L N -0.730 120.307 121.223 -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 1.186 55.708 54.840 -0.529 0.000 0.790 426 L CB -0.613 40.862 42.059 -0.973 0.000 0.942 426 L HN 0.363 nan 8.230 nan 0.000 0.452 427 T N -3.911 110.504 114.554 -0.232 0.000 2.977 427 T HA -0.194 4.156 4.350 -0.000 0.000 0.271 427 T C 1.221 175.801 174.700 -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 1.210 121.532 120.400 -0.130 0.000 2.342 428 D HA 0.142 4.782 4.640 -0.000 0.000 0.221 428 D C -0.465 175.802 176.300 -0.054 0.000 1.101 428 D CA -0.246 53.696 54.000 -0.096 0.000 0.837 428 D CB -0.026 40.729 40.800 -0.076 0.000 0.938 428 D HN 0.342 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 43.176 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 1.082 178.386 177.300 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 -1.924 118.587 120.500 0.019 0.000 2.152 431 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 431 R C 1.657 177.835 176.300 -0.203 0.000 1.117 431 R CA 1.256 57.298 56.100 -0.097 0.000 0.981 431 R CB -0.634 29.585 30.300 -0.135 0.000 0.870 431 R HN 0.317 nan 8.270 nan 0.000 0.451 432 W N -0.606 120.634 121.300 -0.099 0.000 3.278 432 W HA 0.161 4.820 4.660 -0.000 0.000 0.308 432 W C 1.353 177.809 176.519 -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 29.434 29.460 -0.106 0.000 1.093 432 W HN 0.038 nan 8.180 nan 0.000 0.648 433 L N 2.322 123.584 121.223 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 2.312 57.147 54.840 -0.008 0.000 0.748 433 L CB -1.688 40.353 42.059 -0.031 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 2.109 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 -0.692 122.091 122.820 -0.061 0.000 1.877 435 A HA -0.196 4.124 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 1.956 53.988 52.037 -0.009 0.000 0.620 435 A CB -1.492 17.537 19.000 0.048 0.000 0.822 435 A HN 0.088 nan 8.150 nan 0.000 0.443 436 M N -0.219 119.400 119.600 0.032 0.000 2.159 436 M HA -0.144 4.335 4.480 -0.000 0.000 0.263 436 M C 2.579 178.829 176.300 -0.085 0.000 1.063 436 M CA 1.717 57.011 55.300 -0.010 0.000 1.110 436 M CB -0.469 32.104 32.600 -0.046 0.000 1.374 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.693 116.317 115.700 -0.127 0.000 2.365 437 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 437 S C 1.683 176.120 174.600 -0.271 0.000 1.039 437 S CA 1.545 59.608 58.200 -0.229 0.000 1.033 437 S CB -0.360 62.700 63.200 -0.233 0.000 0.887 437 S HN 0.482 nan 8.310 nan 0.000 0.447 438 E N 0.732 120.820 120.200 -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 2.339 178.595 176.300 -0.073 0.000 1.123 439 R CA 0.816 56.890 56.100 -0.043 0.000 0.975 439 R CB -0.029 30.281 30.300 0.017 0.000 0.866 439 R HN 0.007 nan 8.270 nan 0.000 0.446 440 V N 0.005 119.831 119.914 -0.148 0.000 2.374 440 V HA -0.169 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 31.414 31.823 -0.176 0.000 0.682 440 V HN 0.512 nan 8.190 nan 0.000 0.463 441 T N -0.379 113.887 114.554 -0.480 0.000 2.684 441 T HA -0.293 4.057 4.350 -0.000 0.000 0.267 441 T C 1.949 176.497 174.700 -0.253 0.000 1.036 441 T CA 1.692 63.435 62.100 -0.596 0.000 1.148 441 T CB -0.473 67.901 68.868 -0.825 0.000 0.863 441 T HN 0.394 nan 8.240 nan 0.000 0.436 442 R N 0.347 120.720 120.500 -0.212 0.000 2.096 442 R HA 0.119 4.459 4.340 -0.000 0.000 0.235 442 R C 2.696 178.920 176.300 -0.127 0.000 1.127 442 R CA 1.551 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 0.650 120.182 119.600 -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 1.660 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 0.856 120.593 119.914 -0.295 0.000 2.343 444 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 444 V C 2.283 178.260 176.094 -0.194 0.000 1.051 444 V CA 2.056 64.067 62.300 -0.483 0.000 1.036 444 V CB -0.922 30.590 31.823 -0.520 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.712 119.011 119.800 -0.128 0.000 2.181 445 Q HA -0.240 4.100 4.340 -0.000 0.000 0.205 445 Q C 2.492 178.406 176.000 -0.143 0.000 0.980 445 Q CA 1.711 57.450 55.803 -0.107 0.000 0.862 445 Q CB -0.172 28.523 28.738 -0.071 0.000 0.905 445 Q HN 0.534 nan 8.270 nan 0.000 0.429 446 R N 0.155 120.564 120.500 -0.152 0.000 2.100 446 R HA -0.085 4.255 4.340 -0.000 0.000 0.220 446 R C 0.558 176.777 176.300 -0.135 0.000 1.091 446 R CA 1.245 57.232 56.100 -0.189 0.000 0.986 446 R CB 0.415 30.608 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 1.197 177.585 176.300 0.147 0.000 1.077 447 D CA 0.185 54.209 54.000 0.040 0.000 0.842 447 D CB 0.366 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 0.418 121.011 120.500 0.156 0.000 2.357 448 R HA 0.081 4.421 4.340 -0.000 0.000 0.202 448 R C 0.873 177.149 176.300 -0.039 0.000 1.047 448 R CA 0.850 57.053 56.100 0.171 0.000 1.034 448 R CB -0.280 30.117 30.300 0.162 0.000 0.875 448 R HN -0.111 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 1.726 120.705 119.070 -0.151 0.000 2.819 450 H HA 0.090 4.646 4.556 -0.000 0.000 0.303 450 H C -1.158 174.000 175.328 -0.283 0.000 1.058 450 H CA -1.118 54.823 56.048 -0.177 0.000 1.471 450 H CB 1.456 31.143 29.762 -0.124 0.000 1.480 450 H HN 0.066 nan 8.280 nan 0.000 0.517 451 P HA -0.152 nan 4.420 nan 0.000 0.218 451 P C 1.354 178.201 177.300 -0.755 0.000 1.149 451 P CA 1.164 63.907 63.100 -0.595 0.000 0.817 451 P CB 0.267 31.392 31.700 -0.958 0.000 0.785 452 S N -1.240 114.093 115.700 -0.612 0.000 2.481 452 S HA 0.000 4.470 4.470 -0.000 0.000 0.231 452 S C 1.023 175.594 174.600 -0.049 0.000 0.996 452 S CA 0.065 58.085 58.200 -0.299 0.000 0.942 452 S CB -1.232 61.945 63.200 -0.038 0.000 0.768 452 S HN -0.081 nan 8.310 nan 0.000 0.520 453 V N 3.510 123.355 119.914 -0.114 0.000 2.439 453 V HA 0.267 4.387 4.120 -0.000 0.000 0.271 453 V C 1.023 176.975 176.094 -0.237 0.000 1.040 453 V CA -0.130 62.073 62.300 -0.163 0.000 1.002 453 V CB 0.547 32.176 31.823 -0.323 0.000 1.000 453 V HN 0.628 nan 8.190 nan 0.000 0.477 454 I N 2.685 123.166 120.570 -0.148 0.000 4.288 454 I HA 0.511 4.681 4.170 -0.000 0.000 0.331 454 I C 0.321 176.320 176.117 -0.197 0.000 1.322 454 I CA 0.393 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 0.067 120.500 120.570 -0.228 0.000 2.802 455 I HA 0.380 4.550 4.170 -0.000 0.000 0.298 455 I C -1.560 174.442 176.117 -0.193 0.000 1.176 455 I CA -0.431 60.768 61.300 -0.168 0.000 1.025 455 I CB 2.248 40.245 38.000 -0.005 0.000 1.243 455 I HN 0.014 nan 8.210 nan 0.000 0.424 456 W N 3.394 124.738 121.300 0.073 0.000 2.496 456 W HA 0.636 5.296 4.660 -0.000 0.000 0.327 456 W C 0.282 176.860 176.519 0.099 0.000 1.086 456 W CA -0.679 56.714 57.345 0.081 0.000 1.222 456 W CB 1.798 31.300 29.460 0.070 0.000 1.304 456 W HN 0.306 nan 8.180 nan 0.000 0.547 457 S N 2.639 118.567 115.700 0.380 0.000 2.521 457 S HA 0.411 4.881 4.470 -0.000 0.000 0.295 457 S C 0.144 174.904 174.600 0.267 0.000 1.098 457 S CA -0.698 57.669 58.200 0.279 0.000 0.999 457 S CB 0.853 64.169 63.200 0.195 0.000 1.034 457 S HN 0.581 nan 8.310 nan 0.000 0.483 458 L N 4.032 125.407 121.223 0.253 0.000 2.599 458 L HA 0.376 4.716 4.340 -0.000 0.000 0.230 458 L C 1.357 178.301 176.870 0.122 0.000 1.141 458 L CA 0.464 55.385 54.840 0.135 0.000 0.877 458 L CB -0.990 41.057 42.059 -0.021 0.000 1.009 458 L HN 0.977 nan 8.230 nan 0.000 0.447 459 G N -0.104 108.838 108.800 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 -0.111 118.702 118.700 0.188 0.000 2.405 460 N HA 0.472 5.212 4.740 -0.000 0.000 0.274 460 N C -0.432 175.036 175.510 -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 39.861 38.487 -0.485 0.000 1.629 460 N HN 0.845 nan 8.380 nan 0.000 0.481 461 E N 0.443 120.508 120.200 -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 0.055 115.820 115.700 0.108 0.000 2.843 462 S HA 0.391 4.861 4.470 -0.000 0.000 0.249 462 S C 0.730 175.493 174.600 0.272 0.000 1.047 462 S CA -0.168 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 2.040 110.939 108.800 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 45.169 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 56.275 56.048 0.259 0.000 1.286 464 H CB 0.841 30.686 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 0.475 175.202 174.900 -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 0.087 122.793 122.820 -0.191 0.000 2.024 466 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 466 A C 2.092 179.640 177.584 -0.061 0.000 1.164 466 A CA 1.927 53.906 52.037 -0.097 0.000 0.643 466 A CB -0.432 18.536 19.000 -0.053 0.000 0.806 466 A HN 0.515 nan 8.150 nan 0.000 0.451 467 N N -0.337 118.286 118.700 -0.128 0.000 2.223 467 N HA -0.136 4.604 4.740 -0.000 0.000 0.185 467 N C 1.394 176.840 175.510 -0.106 0.000 1.016 467 N CA 1.653 54.620 53.050 -0.138 0.000 0.863 467 N CB -0.620 37.738 38.487 -0.216 0.000 0.983 467 N HN 0.792 nan 8.380 nan 0.000 0.429 468 H N 0.260 119.287 119.070 -0.072 0.000 2.326 468 H HA -0.027 4.529 4.556 -0.000 0.000 0.301 468 H C 1.232 176.610 175.328 0.082 0.000 1.081 468 H CA 1.250 57.269 56.048 -0.049 0.000 1.334 468 H CB 0.164 29.887 29.762 -0.065 0.000 1.385 468 H HN 0.173 nan 8.280 nan 0.000 0.504 469 D N 0.483 121.027 120.400 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 -0.506 40.403 40.800 0.181 0.000 0.954 469 D HN 0.427 nan 8.370 nan 0.000 0.455 470 A N 0.693 123.607 122.820 0.156 0.000 1.902 470 A HA -0.127 4.192 4.320 -0.000 0.000 0.217 470 A C 2.402 180.094 177.584 0.180 0.000 1.181 470 A CA 1.004 53.125 52.037 0.141 0.000 0.623 470 A CB -0.729 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 -2.279 119.040 121.223 0.161 0.000 2.179 471 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 471 L C 2.547 179.566 176.870 0.247 0.000 1.096 471 L CA 1.343 56.283 54.840 0.167 0.000 0.779 471 L CB -0.646 41.447 42.059 0.057 0.000 0.922 471 L HN 0.596 nan 8.230 nan 0.000 0.443 472 Y N 0.828 121.209 120.300 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 -0.077 nan 8.280 nan 0.000 0.505 473 R N -0.019 120.582 120.500 0.169 0.000 2.096 473 R HA -0.228 4.112 4.340 -0.000 0.000 0.235 473 R C 2.069 178.361 176.300 -0.013 0.000 1.127 473 R CA 1.819 57.936 56.100 0.029 0.000 0.968 473 R CB -1.583 28.823 30.300 0.176 0.000 0.861 473 R HN 0.680 nan 8.270 nan 0.000 0.440 474 W N 1.016 122.271 121.300 -0.075 0.000 2.355 474 W HA -0.143 4.517 4.660 -0.000 0.000 0.309 474 W C 1.837 178.265 176.519 -0.152 0.000 1.206 474 W CA 1.568 58.857 57.345 -0.094 0.000 1.284 474 W CB -0.314 29.096 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 -0.325 3.845 4.170 -0.000 0.000 0.245 475 I C 2.357 178.246 176.117 -0.379 0.000 1.100 475 I CA 1.277 62.382 61.300 -0.325 0.000 1.374 475 I CB -0.824 37.070 38.000 -0.177 0.000 1.057 475 I HN -0.093 nan 8.210 nan 0.000 0.413 476 K N 0.900 121.096 120.400 -0.340 0.000 2.152 476 K HA -0.094 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 1.332 57.444 56.287 -0.292 0.000 0.933 476 K CB -0.409 31.889 32.500 -0.338 0.000 0.721 476 K HN 0.301 nan 8.250 nan 0.000 0.447 477 S N 0.529 116.040 115.700 -0.316 0.000 2.395 477 S HA -0.031 4.438 4.470 -0.000 0.000 0.225 477 S C 2.168 176.545 174.600 -0.371 0.000 1.027 477 S CA 0.619 58.642 58.200 -0.295 0.000 0.965 477 S CB -0.024 63.010 63.200 -0.276 0.000 0.812 477 S HN -0.016 nan 8.310 nan 0.000 0.482 478 V N 1.265 120.818 119.914 -0.602 0.000 2.649 478 V HA 0.065 4.185 4.120 -0.000 0.000 0.248 478 V C 0.307 176.169 176.094 -0.386 0.000 1.054 478 V CA 1.159 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 -0.887 119.327 120.400 -0.309 0.000 2.364 479 D HA 0.248 4.888 4.640 -0.000 0.000 0.251 479 D C -2.169 174.118 176.300 -0.021 0.000 1.282 479 D CA -1.551 52.383 54.000 -0.110 0.000 0.927 479 D CB 1.687 42.514 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 0.344 63.433 63.100 -0.020 0.000 0.771 480 P CB 0.159 31.839 31.700 -0.033 0.000 0.929 481 S N -1.240 114.483 115.700 0.038 0.000 2.561 481 S HA 0.080 4.550 4.470 -0.000 0.000 0.225 481 S C 0.875 175.495 174.600 0.034 0.000 0.977 481 S CA -0.097 58.129 58.200 0.044 0.000 0.926 481 S CB -0.359 62.862 63.200 0.035 0.000 0.769 481 S HN 0.079 nan 8.310 nan 0.000 0.533 482 R N 1.011 121.543 120.500 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 -2.176 53.920 56.100 -0.006 0.000 0.896 482 R CB 1.583 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 -0.788 176.610 177.300 0.163 0.000 1.246 483 P CA -0.476 62.680 63.100 0.094 0.000 0.795 483 P CB 0.722 32.464 31.700 0.070 0.000 1.006 484 V N 1.619 121.660 119.914 0.211 0.000 2.555 484 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 484 V C 0.185 176.453 176.094 0.291 0.000 1.038 484 V CA -0.354 62.121 62.300 0.292 0.000 0.887 484 V CB 1.278 33.274 31.823 0.288 0.000 0.991 484 V HN 0.648 nan 8.190 nan 0.000 0.434 485 Q N 3.460 123.414 119.800 0.258 0.000 2.451 485 Q HA 0.800 5.140 4.340 -0.000 0.000 0.281 485 Q C -1.881 174.266 176.000 0.246 0.000 1.099 485 Q CA -0.942 54.977 55.803 0.194 0.000 0.806 485 Q CB 2.972 31.773 28.738 0.104 0.000 1.419 485 Q HN 0.660 nan 8.270 nan 0.000 0.427 486 Y N 0.340 120.642 120.300 0.004 0.000 2.314 486 Y HA 0.139 4.689 4.550 -0.000 0.000 0.317 486 Y C -0.505 175.331 175.900 -0.107 0.000 1.234 486 Y CA -0.667 57.404 58.100 -0.049 0.000 1.111 486 Y CB 1.968 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 3.495 123.240 120.200 -0.758 0.000 2.299 487 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 487 E C 0.713 176.857 176.600 -0.760 0.000 0.998 487 E CA 0.749 56.779 56.400 -0.616 0.000 0.851 487 E CB 0.238 29.686 29.700 -0.420 0.000 0.795 487 E HN 0.888 nan 8.360 nan 0.000 0.492 488 G N -0.189 107.739 108.800 -1.454 0.000 2.559 488 G HA2 0.222 4.182 3.960 -0.000 0.000 0.235 488 G HA3 0.222 4.182 3.960 -0.000 0.000 0.235 488 G C 0.772 175.510 174.900 -0.270 0.000 1.266 488 G CA 0.258 44.915 45.100 -0.739 0.000 0.847 488 G HN 0.329 nan 8.290 nan 0.000 0.583 489 G N -0.644 108.103 108.800 -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 -1.681 107.103 108.800 -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 1.070 176.057 174.900 0.144 0.000 1.000 490 G CA 1.327 46.468 45.100 0.068 0.000 0.663 490 G HN 2.347 nan 8.290 nan 0.000 0.493 491 A N -0.183 122.615 122.820 -0.037 0.000 3.413 491 A HA -0.103 4.217 4.320 -0.000 0.000 0.268 491 A C 1.115 178.632 177.584 -0.111 0.000 1.128 491 A CA 2.660 54.625 52.037 -0.120 0.000 1.062 491 A CB -1.804 17.106 19.000 -0.150 0.000 1.121 491 A HN 2.131 nan 8.150 nan 0.000 0.895 492 D N -1.115 119.289 120.400 0.008 0.000 2.636 492 D HA 0.286 4.925 4.640 -0.000 0.000 0.270 492 D C 0.460 176.744 176.300 -0.028 0.000 1.430 492 D CA 0.903 54.916 54.000 0.023 0.000 0.796 492 D CB -1.173 39.771 40.800 0.240 0.000 1.117 492 D HN 0.862 nan 8.370 nan 0.000 0.480 493 T N -2.071 112.402 114.554 -0.136 0.000 2.652 493 T HA 0.153 4.503 4.350 -0.000 0.000 0.319 493 T C 1.623 176.187 174.700 -0.227 0.000 1.029 493 T CA 0.662 62.612 62.100 -0.251 0.000 0.990 493 T CB 0.696 69.192 68.868 -0.620 0.000 1.098 493 T HN 0.085 nan 8.240 nan 0.000 0.520 494 T N -2.345 112.061 114.554 -0.248 0.000 3.113 494 T HA 0.211 4.560 4.350 -0.000 0.000 0.263 494 T C 1.665 176.086 174.700 -0.466 0.000 1.143 494 T CA 0.360 62.322 62.100 -0.230 0.000 1.090 494 T CB -0.479 68.328 68.868 -0.101 0.000 0.922 494 T HN 0.828 nan 8.240 nan 0.000 0.521 495 A N 0.467 123.040 122.820 -0.413 0.000 2.379 495 A HA 0.479 4.799 4.320 -0.000 0.000 0.236 495 A C 0.929 178.302 177.584 -0.352 0.000 1.272 495 A CA -0.169 51.570 52.037 -0.496 0.000 0.886 495 A CB 0.024 19.011 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 -0.591 174.123 174.700 0.025 0.000 1.052 496 T CA -0.454 61.636 62.100 -0.017 0.000 0.996 496 T CB 1.327 70.184 68.868 -0.019 0.000 1.070 496 T HN 0.066 nan 8.240 nan 0.000 0.465 497 D N 2.666 123.158 120.400 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 0.659 54.737 54.000 0.131 0.000 0.867 497 D CB 0.393 41.299 40.800 0.176 0.000 0.933 497 D HN 0.529 nan 8.370 nan 0.000 0.520 498 I N 0.804 121.382 120.570 0.013 0.000 2.582 498 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 498 I C -0.305 175.746 176.117 -0.111 0.000 1.066 498 I CA -0.906 60.367 61.300 -0.044 0.000 1.053 498 I CB 2.936 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 5.436 125.895 120.570 -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 61.056 61.300 -0.333 0.000 1.372 499 I CB 0.165 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 5.529 124.641 119.300 -0.314 0.000 3.414 500 C HA 0.480 4.940 4.460 -0.000 0.000 0.208 500 C C -2.224 172.621 174.990 -0.243 0.000 1.422 500 C CA -2.287 56.590 59.018 -0.234 0.000 1.437 500 C CB -0.874 26.787 27.740 -0.132 0.000 1.850 500 C HN 0.401 nan 8.230 nan 0.000 0.481 501 P HA 0.381 nan 4.420 nan 0.000 0.275 501 P C -0.466 176.765 177.300 -0.116 0.000 1.266 501 P CA 0.128 63.113 63.100 -0.192 0.000 0.793 501 P CB 0.684 32.281 31.700 -0.172 0.000 1.074 502 M N -0.433 119.125 119.600 -0.069 0.000 2.197 502 M HA 0.475 4.955 4.480 -0.000 0.000 0.301 502 M C -0.986 175.272 176.300 -0.071 0.000 0.987 502 M CA -0.652 54.516 55.300 -0.221 0.000 0.921 502 M CB 1.529 33.969 32.600 -0.268 0.000 1.569 502 M HN 0.340 nan 8.290 nan 0.000 0.431 503 Y N -0.303 120.142 120.300 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 58.681 58.100 0.240 0.000 2.052 503 Y CB -2.270 36.296 38.460 0.175 0.000 1.621 503 Y HN 0.994 nan 8.280 nan 0.000 0.682 504 A N 1.221 124.235 122.820 0.324 0.000 2.425 504 A HA 0.606 4.926 4.320 -0.000 0.000 0.249 504 A C 0.723 178.501 177.584 0.323 0.000 1.084 504 A CA -0.470 51.764 52.037 0.329 0.000 0.781 504 A CB 0.422 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 1.373 121.999 120.500 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 -0.752 55.411 56.100 0.106 0.000 1.160 505 R CB 0.539 30.873 30.300 0.057 0.000 1.138 505 R HN 0.469 nan 8.270 nan 0.000 0.567 506 V N 0.631 120.369 119.914 -0.293 0.000 2.283 506 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 506 V C 0.930 176.907 176.094 -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 -1.585 118.733 120.400 -0.136 0.000 2.479 507 D HA 0.155 4.795 4.640 -0.000 0.000 0.216 507 D C 0.650 176.929 176.300 -0.035 0.000 1.110 507 D CA 0.065 54.017 54.000 -0.080 0.000 0.841 507 D CB 0.837 41.594 40.800 -0.071 0.000 1.040 507 D HN 0.482 nan 8.370 nan 0.000 0.505 508 E N 1.224 121.409 120.200 -0.024 0.000 2.242 508 E HA 0.222 4.572 4.350 -0.000 0.000 0.275 508 E C -0.804 175.797 176.600 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 31.192 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 -0.164 53.826 54.000 -0.017 0.000 0.902 509 D CB 1.183 42.036 40.800 0.089 0.000 1.182 509 D HN 0.236 nan 8.370 nan 0.000 0.436 510 Q N 1.692 121.277 119.800 -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 -1.608 53.790 55.803 -0.676 0.000 0.707 510 Q CB 2.528 30.866 28.738 -0.666 0.000 1.247 510 Q HN 0.139 nan 8.270 nan 0.000 0.491 511 P HA 0.084 nan 4.420 nan 0.000 0.214 511 P C -0.773 176.205 177.300 -0.537 0.000 1.826 511 P CA -0.168 62.515 63.100 -0.694 0.000 0.977 511 P CB -0.523 30.966 31.700 -0.352 0.000 1.930 512 F N 2.614 122.417 119.950 -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 -2.564 55.337 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 63.975 63.100 0.029 0.000 0.768 513 P CB 1.177 32.895 31.700 0.029 0.000 0.842 514 A N 3.009 125.831 122.820 0.004 0.000 2.617 514 A HA -0.253 4.067 4.320 -0.000 0.000 0.236 514 A C 0.723 178.306 177.584 -0.001 0.000 0.514 514 A CA 2.090 54.132 52.037 0.008 0.000 1.126 514 A CB -2.699 16.308 19.000 0.013 0.000 1.393 514 A HN 0.717 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 0.567 4.687 4.120 -0.000 0.000 0.261 515 V C -2.434 173.658 176.094 -0.004 0.000 0.996 515 V CA -1.204 61.094 62.300 -0.003 0.000 1.095 515 V CB 0.751 32.581 31.823 0.011 0.000 1.325 515 V HN 0.479 nan 8.190 nan 0.000 0.574 516 P HA 0.352 nan 4.420 nan 0.000 0.274 516 P C -0.756 176.097 177.300 -0.745 0.000 1.246 516 P CA -0.023 62.713 63.100 -0.606 0.000 0.795 516 P CB 1.056 31.983 31.700 -1.288 0.000 1.006 517 K N 1.650 121.620 120.400 -0.717 0.000 2.521 517 K HA 0.252 4.572 4.320 -0.000 0.000 0.248 517 K C -0.529 175.752 176.600 -0.532 0.000 0.978 517 K CA -0.282 55.747 56.287 -0.430 0.000 0.947 517 K CB 0.718 33.266 32.500 0.080 0.000 1.165 517 K HN 0.473 nan 8.250 nan 0.000 0.445 518 W N 1.392 122.378 121.300 -0.523 0.000 2.129 518 W HA 0.078 4.737 4.660 -0.000 0.000 0.349 518 W C 1.303 177.815 176.519 -0.012 0.000 1.279 518 W CA -0.683 56.452 57.345 -0.349 0.000 1.306 518 W CB 0.555 29.631 29.460 -0.640 0.000 1.140 518 W HN 0.409 nan 8.180 nan 0.000 0.613 519 S N 3.083 118.936 115.700 0.255 0.000 2.552 519 S HA -0.071 4.399 4.470 -0.000 0.000 0.289 519 S C 1.150 175.888 174.600 0.229 0.000 1.304 519 S CA -0.293 58.000 58.200 0.155 0.000 1.063 519 S CB 0.146 63.380 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 0.173 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 1.148 62.552 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 2.052 122.374 120.400 -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 57.653 56.287 -0.261 0.000 0.948 521 K CB -0.281 31.969 32.500 -0.417 0.000 0.728 521 K HN 0.451 nan 8.250 nan 0.000 0.448 522 K N 0.589 120.992 120.400 0.006 0.000 2.167 522 K HA -0.134 4.186 4.320 -0.000 0.000 0.203 522 K C 1.865 178.464 176.600 -0.003 0.000 1.052 522 K CA 0.512 56.785 56.287 -0.022 0.000 0.956 522 K CB -0.060 32.393 32.500 -0.078 0.000 0.735 522 K HN 0.169 nan 8.250 nan 0.000 0.451 523 W N 2.020 123.277 121.300 -0.072 0.000 2.342 523 W HA -0.175 4.484 4.660 -0.000 0.000 0.297 523 W C 1.453 177.936 176.519 -0.061 0.000 1.213 523 W CA 1.200 58.514 57.345 -0.051 0.000 1.251 523 W CB -0.406 29.114 29.460 0.102 0.000 1.136 523 W HN 0.108 nan 8.180 nan 0.000 0.526 524 L N 0.765 122.139 121.223 0.251 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 0.106 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 62.770 63.200 0.003 0.000 0.780 525 S HN 0.187 nan 8.310 nan 0.000 0.514 526 L N 2.148 123.335 121.223 -0.060 0.000 2.506 526 L HA 0.241 4.580 4.340 -0.000 0.000 0.281 526 L C -2.235 174.601 176.870 -0.056 0.000 1.228 526 L CA -1.728 53.038 54.840 -0.124 0.000 0.850 526 L CB -0.431 41.518 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 -0.014 0.000 1.185 527 P CA 0.916 63.992 63.100 -0.040 0.000 0.763 527 P CB 0.569 32.240 31.700 -0.048 0.000 0.776 528 G N 1.985 110.782 108.800 -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 0.253 175.167 174.900 0.022 0.000 0.982 528 G CA 0.001 45.106 45.100 0.009 0.000 0.632 528 G HN 0.605 nan 8.290 nan 0.000 0.529 529 E N 1.137 121.355 120.200 0.031 0.000 2.338 529 E HA 0.587 4.937 4.350 -0.000 0.000 0.272 529 E C 1.377 177.999 176.600 0.037 0.000 1.029 529 E CA 0.641 57.071 56.400 0.051 0.000 0.872 529 E CB 0.835 30.592 29.700 0.095 0.000 1.015 529 E HN 0.561 nan 8.360 nan 0.000 0.417 530 T N 0.629 115.201 114.554 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 -0.436 61.677 62.100 0.020 0.000 0.894 530 T CB 0.108 68.987 68.868 0.019 0.000 1.160 530 T HN 0.243 nan 8.240 nan 0.000 0.532 531 R N 2.167 122.669 120.500 0.004 0.000 2.707 531 R HA 0.469 4.809 4.340 -0.000 0.000 0.270 531 R C -2.542 173.736 176.300 -0.037 0.000 1.083 531 R CA -1.735 54.356 56.100 -0.015 0.000 1.182 531 R CB 0.038 30.322 30.300 -0.027 0.000 1.084 531 R HN 0.228 nan 8.270 nan 0.000 0.528 532 P HA 0.136 nan 4.420 nan 0.000 0.276 532 P C -1.118 176.110 177.300 -0.119 0.000 1.252 532 P CA -0.229 62.827 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 2.056 123.189 121.223 -0.150 0.000 2.376 533 L HA 0.583 4.923 4.340 -0.000 0.000 0.275 533 L C -1.169 175.563 176.870 -0.231 0.000 0.987 533 L CA -0.566 54.146 54.840 -0.213 0.000 0.828 533 L CB 0.639 42.563 42.059 -0.225 0.000 1.249 533 L HN 0.222 nan 8.230 nan 0.000 0.409 534 I N 5.743 126.181 120.570 -0.221 0.000 2.500 534 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 534 I C -0.790 175.234 176.117 -0.154 0.000 1.063 534 I CA -0.557 60.606 61.300 -0.229 0.000 1.062 534 I CB 2.041 39.961 38.000 -0.134 0.000 1.223 534 I HN 0.482 nan 8.210 nan 0.000 0.435 535 L N 5.669 126.773 121.223 -0.198 0.000 2.410 535 L HA 0.052 4.392 4.340 -0.000 0.000 0.273 535 L C 1.501 178.440 176.870 0.115 0.000 1.144 535 L CA -0.184 54.601 54.840 -0.092 0.000 0.863 535 L CB 0.735 42.709 42.059 -0.143 0.000 1.140 535 L HN 0.870 nan 8.230 nan 0.000 0.463 536 C N 0.605 119.949 119.300 0.075 0.000 2.446 536 C HA 0.096 4.555 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 59.015 59.018 0.128 0.000 1.763 536 C CB -0.985 26.743 27.740 -0.021 0.000 1.929 536 C HN 0.825 nan 8.230 nan 0.000 0.509 537 E N -0.828 119.421 120.200 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 56.046 56.400 0.070 0.000 0.764 537 E CB 1.832 31.411 29.700 -0.203 0.000 1.216 537 E HN 0.693 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 -0.594 175.474 175.900 0.279 0.000 1.185 538 Y CA -0.996 57.106 58.100 0.004 0.000 1.053 538 Y CB 1.024 39.366 38.460 -0.197 0.000 1.298 538 Y HN 0.653 nan 8.280 nan 0.000 0.459 539 A N 1.928 124.809 122.820 0.101 0.000 2.303 539 A HA -0.270 4.050 4.320 -0.000 0.000 0.286 539 A C -0.356 177.361 177.584 0.222 0.000 1.429 539 A CA 1.038 53.127 52.037 0.086 0.000 0.738 539 A CB -2.495 16.418 19.000 -0.144 0.000 1.149 539 A HN 1.058 nan 8.150 nan 0.000 0.364 540 H N 0.862 120.085 119.070 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 0.346 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 6.442 129.198 122.820 -0.107 0.000 2.426 541 A HA 0.019 4.339 4.320 -0.000 0.000 0.247 541 A C 0.985 178.439 177.584 -0.217 0.000 1.389 541 A CA -0.291 51.646 52.037 -0.167 0.000 1.129 541 A CB -0.671 18.212 19.000 -0.194 0.000 0.928 541 A HN 0.792 nan 8.150 nan 0.000 0.557 542 M N 1.347 120.808 119.600 -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 1.239 56.405 55.300 -0.223 0.000 1.148 542 M CB -0.321 32.193 32.600 -0.143 0.000 1.663 542 M HN 0.796 nan 8.290 nan 0.000 0.464 543 G N 4.327 112.957 108.800 -0.284 0.000 2.528 543 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.262 543 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.262 543 G C -0.280 174.157 174.900 -0.773 0.000 1.200 543 G CA -0.046 44.731 45.100 -0.538 0.000 0.951 543 G HN 0.817 nan 8.290 nan 0.000 0.566 544 N N 1.348 119.448 118.700 -1.000 0.000 2.421 544 N HA 0.525 5.264 4.740 -0.000 0.000 0.260 544 N C -0.008 175.246 175.510 -0.427 0.000 1.173 544 N CA 1.086 53.678 53.050 -0.765 0.000 0.960 544 N CB 0.525 38.571 38.487 -0.735 0.000 1.273 544 N HN 0.791 nan 8.380 nan 0.000 0.497 545 S N 1.909 117.439 115.700 -0.283 0.000 2.998 545 S HA 0.588 5.058 4.470 -0.000 0.000 0.321 545 S C -0.192 174.335 174.600 -0.122 0.000 1.171 545 S CA -0.396 57.695 58.200 -0.182 0.000 0.882 545 S CB 0.172 63.287 63.200 -0.141 0.000 1.301 545 S HN 0.396 nan 8.310 nan 0.000 0.629 546 L N 0.193 121.376 121.223 -0.067 0.000 4.613 546 L HA -0.067 4.273 4.340 -0.000 0.000 0.409 546 L C 0.461 177.362 176.870 0.052 0.000 1.100 546 L CA 0.894 55.714 54.840 -0.033 0.000 1.029 546 L CB -1.712 40.240 42.059 -0.178 0.000 2.137 546 L HN 0.702 nan 8.230 nan 0.000 0.713 547 G N -0.853 107.953 108.800 0.009 0.000 2.378 547 G HA2 0.486 4.446 3.960 -0.000 0.000 0.255 547 G HA3 0.486 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 45.239 45.100 -0.019 0.000 0.876 547 G HN 1.375 nan 8.290 nan 0.000 0.521 548 G N 1.587 110.443 108.800 0.093 0.000 2.175 548 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 548 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 548 G C 1.001 176.105 174.900 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 1.873 121.951 119.950 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 2.553 60.747 58.000 0.323 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 -0.125 122.853 122.820 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 1.620 53.742 52.037 0.141 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 -1.447 118.960 120.400 0.012 0.000 2.063 551 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 551 K C 1.810 178.192 176.600 -0.363 0.000 1.048 551 K CA 1.938 58.142 56.287 -0.139 0.000 0.928 551 K CB -0.385 32.008 32.500 -0.178 0.000 0.713 551 K HN 0.673 nan 8.250 nan 0.000 0.442 552 Y N -0.690 119.346 120.300 -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 -1.547 0.000 1.145 552 Y CA 1.362 58.850 58.100 -1.020 0.000 1.148 552 Y CB -0.397 37.467 38.460 -0.994 0.000 0.981 552 Y HN 0.169 nan 8.280 nan 0.000 0.507 553 W N 0.147 121.042 121.300 -0.676 0.000 2.374 553 W HA -0.191 4.469 4.660 -0.000 0.000 0.288 553 W C 2.592 178.933 176.519 -0.298 0.000 1.218 553 W CA 1.583 58.645 57.345 -0.472 0.000 1.245 553 W CB -0.545 28.725 29.460 -0.317 0.000 1.126 553 W HN 0.112 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 2.329 178.258 176.000 -0.118 0.000 0.974 554 Q CA 1.686 57.436 55.803 -0.088 0.000 0.840 554 Q CB -0.330 28.371 28.738 -0.062 0.000 0.898 554 Q HN 0.258 nan 8.270 nan 0.000 0.430 555 A N 0.152 122.807 122.820 -0.274 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 -0.289 0.000 2.161 556 F HA -0.188 4.338 4.527 -0.000 0.000 0.300 556 F C 2.720 178.421 175.800 -0.164 0.000 1.089 556 F CA 1.085 58.885 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 -0.003 120.555 120.500 0.097 0.000 2.148 557 R HA -0.149 4.191 4.340 -0.000 0.000 0.223 557 R C 2.112 178.451 176.300 0.064 0.000 1.088 557 R CA 1.003 57.148 56.100 0.075 0.000 0.985 557 R CB -0.246 30.094 30.300 0.066 0.000 0.880 557 R HN 0.374 nan 8.270 nan 0.000 0.451 558 Q N -0.572 119.293 119.800 0.109 0.000 2.302 558 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 558 Q C -0.561 175.470 176.000 0.051 0.000 0.936 558 Q CA 0.699 56.556 55.803 0.089 0.000 0.886 558 Q CB 0.472 29.287 28.738 0.127 0.000 0.986 558 Q HN 0.167 nan 8.270 nan 0.000 0.487 559 Y N 0.111 120.393 120.300 -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 -2.860 55.222 58.100 -0.030 0.000 1.137 559 Y CB 1.513 39.958 38.460 -0.024 0.000 1.172 559 Y HN 0.081 nan 8.280 nan 0.000 0.478 560 P HA -0.150 nan 4.420 nan 0.000 0.215 560 P C 1.109 178.414 177.300 0.009 0.000 1.157 560 P CA 1.755 64.863 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 0.090 4.429 4.340 -0.000 0.000 0.199 561 R C 0.423 176.702 176.300 -0.034 0.000 1.018 561 R CA 0.195 56.296 56.100 0.001 0.000 1.036 561 R CB -0.537 29.772 30.300 0.015 0.000 0.899 561 R HN 0.280 nan 8.270 nan 0.000 0.473 562 L N 1.982 123.199 121.223 -0.009 0.000 2.302 562 L HA 0.147 4.487 4.340 -0.000 0.000 0.285 562 L C 0.723 177.453 176.870 -0.234 0.000 1.090 562 L CA 0.061 54.849 54.840 -0.087 0.000 0.866 562 L CB 1.181 43.261 42.059 0.035 0.000 1.244 562 L HN 0.035 nan 8.230 nan 0.000 0.435 563 Q N 2.682 122.279 119.800 -0.339 0.000 2.222 563 Q HA 0.309 4.649 4.340 -0.000 0.000 0.206 563 Q C 0.854 176.448 176.000 -0.677 0.000 0.877 563 Q CA 0.126 55.690 55.803 -0.400 0.000 0.958 563 Q CB 0.942 29.531 28.738 -0.248 0.000 1.075 563 Q HN 0.938 nan 8.270 nan 0.000 0.483 564 G N -0.386 107.651 108.800 -1.270 0.000 2.337 564 G HA2 0.170 4.129 3.960 -0.000 0.000 0.197 564 G HA3 0.170 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 43.297 45.100 -1.774 0.000 1.119 564 G HN 0.525 nan 8.290 nan 0.000 0.514 565 G N -2.166 106.123 108.800 -0.852 0.000 2.342 565 G HA2 0.651 4.611 3.960 -0.000 0.000 0.297 565 G HA3 0.651 4.611 3.960 -0.000 0.000 0.297 565 G C -1.934 172.867 174.900 -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 0.616 120.797 119.950 0.385 0.000 2.427 566 F HA 0.532 5.059 4.527 -0.000 0.000 0.348 566 F C 0.726 176.819 175.800 0.488 0.000 1.125 566 F CA -0.754 57.502 58.000 0.426 0.000 0.989 566 F CB 2.114 41.267 39.000 0.254 0.000 1.165 566 F HN 0.260 nan 8.300 nan 0.000 0.442 567 V N 3.081 123.307 119.914 0.520 0.000 2.963 567 V HA -0.092 4.028 4.120 -0.000 0.000 0.306 567 V C -0.319 175.955 176.094 0.300 0.000 1.077 567 V CA -0.333 62.089 62.300 0.203 0.000 1.124 567 V CB 0.941 32.862 31.823 0.164 0.000 0.987 567 V HN 0.779 nan 8.190 nan 0.000 0.487 568 W N 5.993 127.369 121.300 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 1.430 31.138 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 -0.547 0.000 2.812 569 D HA 0.123 4.763 4.640 -0.000 0.000 0.318 569 D C 0.675 176.760 176.300 -0.358 0.000 1.234 569 D CA -0.557 53.013 54.000 -0.716 0.000 0.989 569 D CB 0.283 40.126 40.800 -1.594 0.000 1.442 569 D HN 0.411 nan 8.370 nan 0.000 0.537 570 W N 0.569 121.562 121.300 -0.512 0.000 2.381 570 W HA 0.081 4.741 4.660 -0.000 0.000 0.321 570 W C -0.125 176.168 176.519 -0.377 0.000 1.196 570 W CA 1.355 58.453 57.345 -0.411 0.000 1.304 570 W CB 0.197 29.444 29.460 -0.354 0.000 1.166 570 W HN 0.224 nan 8.180 nan 0.000 0.473 571 V N 0.808 120.530 119.914 -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 -1.124 60.917 62.300 -0.430 0.000 0.928 571 V CB 1.320 33.012 31.823 -0.219 0.000 1.007 571 V HN -0.125 nan 8.190 nan 0.000 0.437 572 D N 2.059 122.269 120.400 -0.317 0.000 2.455 572 D HA 0.129 4.769 4.640 -0.000 0.000 0.241 572 D C 0.194 176.345 176.300 -0.248 0.000 1.138 572 D CA 0.535 54.402 54.000 -0.221 0.000 0.877 572 D CB 1.062 41.816 40.800 -0.076 0.000 1.187 572 D HN 0.651 nan 8.370 nan 0.000 0.451 573 Q N 1.166 120.772 119.800 -0.323 0.000 3.135 573 Q HA 0.162 4.501 4.340 -0.000 0.000 0.344 573 Q C -0.366 175.631 176.000 -0.005 0.000 1.321 573 Q CA -0.373 55.071 55.803 -0.598 0.000 1.050 573 Q CB 0.197 28.633 28.738 -0.504 0.000 1.498 573 Q HN 0.350 nan 8.270 nan 0.000 0.503 574 S N -0.069 115.729 115.700 0.164 0.000 2.565 574 S HA 0.668 5.138 4.470 -0.000 0.000 0.290 574 S C -0.226 174.558 174.600 0.307 0.000 1.150 574 S CA -0.821 57.572 58.200 0.323 0.000 1.058 574 S CB 1.610 64.970 63.200 0.266 0.000 1.032 574 S HN 0.328 nan 8.310 nan 0.000 0.510 575 L N 1.798 123.135 121.223 0.190 0.000 2.334 575 L HA 0.573 4.913 4.340 -0.000 0.000 0.273 575 L C -0.376 176.420 176.870 -0.123 0.000 1.013 575 L CA -1.065 53.754 54.840 -0.035 0.000 0.816 575 L CB 1.545 43.453 42.059 -0.253 0.000 1.278 575 L HN 0.645 nan 8.230 nan 0.000 0.431 576 I N 2.269 122.707 120.570 -0.220 0.000 2.474 576 I HA 0.201 4.370 4.170 -0.000 0.000 0.287 576 I C 0.071 175.835 176.117 -0.588 0.000 1.048 576 I CA 0.197 61.249 61.300 -0.412 0.000 1.383 576 I CB 0.739 38.511 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 -1.746 174.088 176.600 -1.277 0.000 1.015 577 K CA -0.865 54.729 56.287 -1.155 0.000 0.860 577 K CB 2.344 33.859 32.500 -1.641 0.000 1.359 577 K HN 0.249 nan 8.250 nan 0.000 0.452 578 Y N 0.403 120.460 120.300 -0.406 0.000 2.499 578 Y HA 0.184 4.734 4.550 -0.000 0.000 0.347 578 Y C -0.153 175.861 175.900 0.189 0.000 0.987 578 Y CA -1.226 56.830 58.100 -0.072 0.000 1.044 578 Y CB 1.357 39.789 38.460 -0.046 0.000 1.245 578 Y HN 0.630 nan 8.280 nan 0.000 0.461 579 D N -0.269 120.396 120.400 0.441 0.000 2.340 579 D HA 0.163 4.803 4.640 -0.000 0.000 0.251 579 D C 0.481 176.895 176.300 0.189 0.000 1.080 579 D CA -0.660 53.519 54.000 0.298 0.000 0.971 579 D CB 0.988 41.900 40.800 0.186 0.000 1.137 579 D HN 0.562 nan 8.370 nan 0.000 0.475 580 E N 0.439 120.708 120.200 0.114 0.000 2.253 580 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 580 E C 0.660 177.294 176.600 0.057 0.000 1.014 580 E CA 1.400 57.840 56.400 0.066 0.000 0.823 580 E CB -0.613 29.109 29.700 0.037 0.000 0.736 580 E HN 0.432 nan 8.360 nan 0.000 0.478 581 N N 0.268 119.011 118.700 0.073 0.000 2.370 581 N HA 0.109 4.849 4.740 -0.000 0.000 0.198 581 N C 0.702 176.258 175.510 0.076 0.000 1.156 581 N CA 0.818 53.904 53.050 0.061 0.000 0.839 581 N CB 0.743 39.262 38.487 0.053 0.000 0.989 581 N HN 0.346 nan 8.380 nan 0.000 0.468 582 G N 1.066 109.928 108.800 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 -0.397 174.658 174.900 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 1.167 120.040 118.700 0.289 0.000 2.438 583 N HA 0.513 5.253 4.740 -0.000 0.000 0.282 583 N C -2.527 173.144 175.510 0.267 0.000 1.037 583 N CA -1.418 51.789 53.050 0.263 0.000 0.942 583 N CB 2.171 40.762 38.487 0.173 0.000 1.136 583 N HN 0.145 nan 8.380 nan 0.000 0.481 584 P HA 0.361 nan 4.420 nan 0.000 0.288 584 P C -0.569 176.670 177.300 -0.102 0.000 1.267 584 P CA -0.451 62.413 63.100 -0.393 0.000 0.815 584 P CB 0.840 32.296 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 29.461 29.460 -0.737 0.000 1.437 585 W HN 0.097 nan 8.180 nan 0.000 0.557 586 S N 1.494 117.284 115.700 0.151 0.000 2.474 586 S HA 0.556 5.026 4.470 -0.000 0.000 0.276 586 S C 0.125 174.917 174.600 0.320 0.000 1.227 586 S CA -0.210 58.077 58.200 0.145 0.000 1.050 586 S CB 0.672 63.999 63.200 0.212 0.000 0.939 586 S HN 0.589 nan 8.310 nan 0.000 0.490 587 A N 3.258 126.124 122.820 0.077 0.000 2.340 587 A HA 0.867 5.187 4.320 -0.000 0.000 0.331 587 A C -0.744 177.118 177.584 0.463 0.000 1.140 587 A CA -0.726 51.391 52.037 0.134 0.000 0.801 587 A CB 0.671 19.473 19.000 -0.330 0.000 1.234 587 A HN 0.840 nan 8.150 nan 0.000 0.469 588 Y N -0.558 120.077 120.300 0.559 0.000 2.857 588 Y HA 0.771 5.321 4.550 -0.000 0.000 0.318 588 Y C 0.601 176.850 175.900 0.582 0.000 1.313 588 Y CA -1.431 56.978 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 0.946 nan 8.280 nan 0.000 0.525 589 G N 0.007 109.166 108.800 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 0.543 0.000 1.240 589 G CA 0.491 45.878 45.100 0.478 0.000 0.896 589 G HN 2.020 nan 8.290 nan 0.000 0.496 590 G N 2.188 111.280 108.800 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 0.915 176.020 174.900 0.341 0.000 0.988 590 G CA 0.711 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 -0.280 120.346 120.400 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 -0.197 0.000 0.986 591 D CA 0.547 54.603 54.000 0.094 0.000 0.899 591 D CB -0.189 40.607 40.800 -0.006 0.000 0.902 591 D HN 0.480 nan 8.370 nan 0.000 0.530 592 F N -1.020 119.051 119.950 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 57.907 58.000 0.135 0.000 1.244 592 F CB 0.721 39.795 39.000 0.125 0.000 1.029 592 F HN -0.058 nan 8.300 nan 0.000 0.545 593 G N 0.550 109.516 108.800 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 -0.159 174.881 174.900 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 0.745 121.335 120.400 0.317 0.000 2.450 594 D HA 0.406 5.046 4.640 -0.000 0.000 0.247 594 D C -0.091 176.335 176.300 0.211 0.000 1.162 594 D CA 0.694 54.870 54.000 0.293 0.000 0.879 594 D CB 1.059 42.092 40.800 0.389 0.000 1.163 594 D HN 0.085 nan 8.370 nan 0.000 0.472 595 T N 2.843 117.493 114.554 0.160 0.000 2.971 595 T HA 0.451 4.801 4.350 -0.000 0.000 0.304 595 T C -2.369 172.374 174.700 0.071 0.000 1.038 595 T CA -0.979 61.183 62.100 0.104 0.000 1.007 595 T CB 1.965 70.889 68.868 0.093 0.000 1.055 595 T HN 0.400 nan 8.240 nan 0.000 0.451 596 P HA 0.502 nan 4.420 nan 0.000 0.278 596 P C -1.095 176.193 177.300 -0.021 0.000 1.258 596 P CA -0.692 62.407 63.100 -0.001 0.000 0.811 596 P CB 0.847 32.519 31.700 -0.047 0.000 1.063 597 N N -0.548 118.147 118.700 -0.008 0.000 2.571 597 N HA 0.201 4.941 4.740 -0.000 0.000 0.273 597 N C -1.015 174.471 175.510 -0.040 0.000 1.340 597 N CA -0.562 52.474 53.050 -0.023 0.000 0.789 597 N CB 1.636 40.203 38.487 0.133 0.000 1.514 597 N HN 0.231 nan 8.380 nan 0.000 0.499 598 D N -0.145 120.227 120.400 -0.047 0.000 2.593 598 D HA 0.124 4.764 4.640 -0.000 0.000 0.241 598 D C 0.570 177.104 176.300 0.390 0.000 1.257 598 D CA -0.190 53.858 54.000 0.080 0.000 0.828 598 D CB 1.041 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 0.348 121.055 120.500 0.344 0.000 3.682 599 R HA -0.374 3.966 4.340 -0.000 0.000 0.519 599 R C 0.992 177.286 176.300 -0.011 0.000 0.241 599 R CA 1.497 57.767 56.100 0.284 0.000 1.619 599 R CB -1.401 28.992 30.300 0.155 0.000 0.923 599 R HN 0.012 nan 8.270 nan 0.000 0.598 600 Q N 0.638 120.123 119.800 -0.525 0.000 2.437 600 Q HA 0.095 4.435 4.340 -0.000 0.000 0.210 600 Q C 1.832 177.536 176.000 -0.493 0.000 0.972 600 Q CA 1.749 57.080 55.803 -0.787 0.000 0.903 600 Q CB -0.251 27.900 28.738 -0.979 0.000 0.967 600 Q HN 0.458 nan 8.270 nan 0.000 0.486 601 F N 0.507 120.344 119.950 -0.188 0.000 2.323 601 F HA -0.246 4.281 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 38.596 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 4.692 4.460 -0.000 0.000 0.266 602 C C 0.992 175.787 174.990 -0.325 0.000 1.382 602 C CA -0.531 58.062 59.018 -0.709 0.000 1.742 602 C CB -1.623 25.155 27.740 -1.604 0.000 1.812 602 C HN 0.200 nan 8.230 nan 0.000 0.559 603 M N 2.947 122.399 119.600 -0.247 0.000 2.060 603 M HA 0.346 4.826 4.480 -0.000 0.000 0.342 603 M C -0.527 175.665 176.300 -0.179 0.000 1.031 603 M CA 0.216 55.408 55.300 -0.181 0.000 0.981 603 M CB 0.545 33.070 32.600 -0.126 0.000 1.376 603 M HN 0.179 nan 8.290 nan 0.000 0.397 604 N N 1.528 120.119 118.700 -0.182 0.000 2.307 604 N HA 0.195 4.935 4.740 -0.000 0.000 0.248 604 N C 0.121 175.436 175.510 -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 -0.091 0.000 1.303 604 N HN 0.705 nan 8.380 nan 0.000 0.498 605 G N -0.251 108.320 108.800 -0.382 0.000 2.502 605 G HA2 0.485 4.445 3.960 -0.000 0.000 0.305 605 G HA3 0.485 4.445 3.960 -0.000 0.000 0.305 605 G C 0.820 175.288 174.900 -0.720 0.000 1.190 605 G CA -0.498 44.282 45.100 -0.533 0.000 0.933 605 G HN 0.115 nan 8.290 nan 0.000 0.503 606 L N -0.314 120.490 121.223 -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 -5.062 114.150 119.914 -1.170 0.000 2.962 607 V HA 0.470 4.590 4.120 -0.000 0.000 0.313 607 V C -0.371 175.235 176.094 -0.814 0.000 1.099 607 V CA -1.218 60.494 62.300 -0.979 0.000 0.971 607 V CB 1.680 32.977 31.823 -0.876 0.000 1.028 607 V HN -0.132 nan 8.190 nan 0.000 0.430 608 F N 1.680 121.458 119.950 -0.287 0.000 2.444 608 F HA 0.531 5.058 4.527 -0.000 0.000 0.331 608 F C 1.973 177.682 175.800 -0.152 0.000 1.167 608 F CA 0.510 58.469 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 0.818 nan 8.300 nan 0.000 0.583 609 A N 1.081 123.989 122.820 0.147 0.000 2.042 609 A HA -0.286 4.034 4.320 -0.000 0.000 0.222 609 A C 1.531 179.090 177.584 -0.042 0.000 1.167 609 A CA 2.147 54.212 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 0.849 nan 8.150 nan 0.000 0.457 610 D N -3.265 117.130 120.400 -0.008 0.000 2.340 610 D HA 0.202 4.842 4.640 -0.000 0.000 0.220 610 D C 0.606 176.886 176.300 -0.034 0.000 1.039 610 D CA -0.018 53.950 54.000 -0.053 0.000 0.866 610 D CB -0.059 40.713 40.800 -0.047 0.000 0.913 610 D HN 0.208 nan 8.370 nan 0.000 0.523 611 R N -1.001 119.472 120.500 -0.045 0.000 3.774 611 R HA -0.123 4.217 4.340 -0.000 0.000 0.320 611 R C -0.502 175.780 176.300 -0.030 0.000 1.175 611 R CA 1.139 57.193 56.100 -0.076 0.000 0.849 611 R CB -3.278 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 -2.539 112.047 114.554 0.054 0.000 2.824 612 T HA 0.724 5.074 4.350 -0.000 0.000 0.280 612 T C -2.570 172.256 174.700 0.209 0.000 0.995 612 T CA -2.463 59.711 62.100 0.124 0.000 1.009 612 T CB 2.535 71.472 68.868 0.115 0.000 0.955 612 T HN -0.207 nan 8.240 nan 0.000 0.452 613 P HA 0.165 nan 4.420 nan 0.000 0.268 613 P C -0.156 177.187 177.300 0.072 0.000 1.204 613 P CA -0.094 62.994 63.100 -0.019 0.000 0.768 613 P CB 0.159 31.858 31.700 -0.001 0.000 0.842 614 H N 3.789 122.663 119.070 -0.326 0.000 2.505 614 H HA 0.132 4.688 4.556 -0.000 0.000 0.355 614 H C -1.170 174.057 175.328 -0.169 0.000 1.179 614 H CA -2.018 53.825 56.048 -0.341 0.000 1.343 614 H CB 0.707 30.232 29.762 -0.397 0.000 1.501 614 H HN 0.325 nan 8.280 nan 0.000 0.569 615 P HA -0.124 nan 4.420 nan 0.000 0.220 615 P C 1.165 178.462 177.300 -0.006 0.000 1.148 615 P CA 1.123 64.212 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 -0.034 122.784 122.820 -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 1.320 53.321 52.037 -0.061 0.000 0.643 616 A CB -1.647 17.294 19.000 -0.099 0.000 0.806 616 A HN 0.186 nan 8.150 nan 0.000 0.451 617 L N -0.106 121.084 121.223 -0.055 0.000 2.127 617 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 617 L C 2.351 179.253 176.870 0.053 0.000 1.089 617 L CA 2.654 57.489 54.840 -0.008 0.000 0.757 617 L CB -0.772 41.280 42.059 -0.012 0.000 0.899 617 L HN 0.387 nan 8.230 nan 0.000 0.434 618 T N -1.357 113.235 114.554 0.063 0.000 2.904 618 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 618 T C 1.692 176.486 174.700 0.158 0.000 1.059 618 T CA 1.266 63.457 62.100 0.153 0.000 1.137 618 T CB -0.117 68.830 68.868 0.132 0.000 0.879 618 T HN 0.346 nan 8.240 nan 0.000 0.467 619 E N 1.678 121.915 120.200 0.062 0.000 2.077 619 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 619 E C 2.267 178.872 176.600 0.008 0.000 0.989 619 E CA 1.255 57.696 56.400 0.067 0.000 0.800 619 E CB -0.523 29.187 29.700 0.016 0.000 0.746 619 E HN 0.428 nan 8.360 nan 0.000 0.452 620 A N 1.023 123.742 122.820 -0.168 0.000 1.902 620 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 620 A C 2.172 179.647 177.584 -0.181 0.000 1.181 620 A CA 1.980 53.883 52.037 -0.224 0.000 0.623 620 A CB -0.651 18.203 19.000 -0.243 0.000 0.818 620 A HN 0.275 nan 8.150 nan 0.000 0.443 621 K N -1.313 119.049 120.400 -0.063 0.000 2.063 621 K HA -0.275 4.044 4.320 -0.000 0.000 0.208 621 K C 2.067 178.561 176.600 -0.176 0.000 1.048 621 K CA 1.943 58.197 56.287 -0.054 0.000 0.928 621 K CB -0.324 32.282 32.500 0.177 0.000 0.713 621 K HN 0.643 nan 8.250 nan 0.000 0.442 622 H N 0.468 119.345 119.070 -0.321 0.000 2.299 622 H HA -0.007 4.549 4.556 -0.000 0.000 0.302 622 H C 1.968 177.012 175.328 -0.474 0.000 1.078 622 H CA 1.724 57.397 56.048 -0.626 0.000 1.323 622 H CB -0.003 29.389 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 -0.119 4.221 4.340 -0.000 0.000 0.204 623 Q C 1.630 177.094 176.000 -0.892 0.000 0.975 623 Q CA 1.342 56.783 55.803 -0.603 0.000 0.866 623 Q CB -0.051 28.477 28.738 -0.350 0.000 0.915 623 Q HN 0.718 nan 8.270 nan 0.000 0.440 624 Q N 0.885 120.137 119.800 -0.913 0.000 2.320 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.201 624 Q C 0.180 175.628 176.000 -0.921 0.000 0.910 624 Q CA -0.267 54.851 55.803 -1.141 0.000 0.946 624 Q CB 0.193 28.287 28.738 -1.073 0.000 1.062 624 Q HN 0.425 nan 8.270 nan 0.000 0.503 625 Q N -0.533 118.868 119.800 -0.665 0.000 2.428 625 Q HA -0.031 4.309 4.340 -0.000 0.000 0.276 625 Q C -0.354 175.292 176.000 -0.591 0.000 1.059 625 Q CA 0.266 55.790 55.803 -0.465 0.000 0.923 625 Q CB 0.411 29.015 28.738 -0.223 0.000 1.283 625 Q HN 0.177 nan 8.270 nan 0.000 0.447 626 F N 0.369 120.070 119.950 -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 -0.064 57.464 58.000 -0.787 0.000 1.387 626 F CB 0.372 38.556 39.000 -1.360 0.000 1.107 626 F HN 0.347 nan 8.300 nan 0.000 0.577 627 F N 0.182 120.058 119.950 -0.123 0.000 2.520 627 F HA 0.481 5.008 4.527 -0.000 0.000 0.322 627 F C -0.094 175.391 175.800 -0.526 0.000 1.103 627 F CA -1.045 56.789 58.000 -0.277 0.000 0.926 627 F CB 1.346 40.196 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 -1.456 174.198 176.000 -0.576 0.000 1.077 628 Q CA -0.704 54.850 55.803 -0.416 0.000 0.820 628 Q CB 3.152 31.793 28.738 -0.161 0.000 1.347 628 Q HN 0.552 nan 8.270 nan 0.000 0.444 629 F N 0.222 120.297 119.950 0.209 0.000 2.546 629 F HA 0.598 5.125 4.527 -0.000 0.000 0.320 629 F C 0.390 176.417 175.800 0.379 0.000 1.076 629 F CA -0.841 57.351 58.000 0.321 0.000 0.928 629 F CB 2.125 41.423 39.000 0.497 0.000 1.189 629 F HN 0.123 nan 8.300 nan 0.000 0.465 630 R N 1.729 122.535 120.500 0.510 0.000 2.686 630 R HA 0.655 4.995 4.340 -0.000 0.000 0.283 630 R C -2.007 174.360 176.300 0.113 0.000 0.978 630 R CA -1.192 55.109 56.100 0.335 0.000 0.897 630 R CB 2.688 33.090 30.300 0.170 0.000 1.192 630 R HN 0.591 nan 8.270 nan 0.000 0.457 631 L N 1.341 122.502 121.223 -0.105 0.000 2.325 631 L HA 0.473 4.813 4.340 -0.000 0.000 0.281 631 L C -1.026 175.687 176.870 -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 3.714 119.290 115.700 -0.207 0.000 2.774 632 S HA 0.688 5.158 4.470 -0.000 0.000 0.297 632 S C 0.407 174.922 174.600 -0.142 0.000 1.143 632 S CA 0.206 58.326 58.200 -0.135 0.000 1.090 632 S CB 0.379 63.534 63.200 -0.075 0.000 1.019 632 S HN 1.379 nan 8.310 nan 0.000 0.482 633 G N 4.198 112.912 108.800 -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 0.390 175.188 174.900 -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 1.128 120.833 119.800 -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 0.639 56.330 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 1.190 115.638 114.554 -0.178 0.000 2.767 635 T HA 0.518 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 -0.290 61.722 62.100 -0.148 0.000 0.996 635 T CB 1.402 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 2.605 123.098 120.570 -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 -0.612 60.646 61.300 -0.070 0.000 1.225 636 I CB 1.428 39.417 38.000 -0.017 0.000 1.366 636 I HN 0.615 nan 8.210 nan 0.000 0.466 637 E N 6.580 126.840 120.200 0.101 0.000 2.133 637 E HA 0.434 4.784 4.350 -0.000 0.000 0.274 637 E C -1.540 175.167 176.600 0.178 0.000 0.930 637 E CA -0.600 55.869 56.400 0.114 0.000 0.770 637 E CB 1.575 31.320 29.700 0.075 0.000 1.104 637 E HN 0.339 nan 8.360 nan 0.000 0.403 638 V N 4.079 124.079 119.914 0.143 0.000 2.427 638 V HA 0.347 4.467 4.120 -0.000 0.000 0.286 638 V C -0.001 176.114 176.094 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 33.662 31.823 0.117 0.000 0.982 638 V HN 0.730 nan 8.190 nan 0.000 0.452 639 T N 3.142 117.677 114.554 -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 70.479 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 0.646 63.891 63.200 0.075 0.000 1.004 640 S HN 0.710 nan 8.310 nan 0.000 0.493 641 E N 3.044 123.052 120.200 -0.319 0.000 2.496 641 E HA 0.118 4.468 4.350 -0.000 0.000 0.200 641 E C -0.968 175.484 176.600 -0.247 0.000 1.016 641 E CA -0.098 56.153 56.400 -0.248 0.000 0.962 641 E CB 0.349 29.893 29.700 -0.260 0.000 1.071 641 E HN 0.659 nan 8.360 nan 0.000 0.457 642 Y N 0.354 120.552 120.300 -0.171 0.000 2.299 642 Y HA 0.112 4.662 4.550 -0.000 0.000 0.326 642 Y C 1.355 177.098 175.900 -0.262 0.000 1.164 642 Y CA -0.277 57.696 58.100 -0.213 0.000 1.234 642 Y CB 0.990 39.302 38.460 -0.246 0.000 1.219 642 Y HN -0.002 nan 8.280 nan 0.000 0.497 643 L N 1.735 122.809 121.223 -0.249 0.000 2.463 643 L HA 0.060 4.400 4.340 -0.000 0.000 0.219 643 L C 0.601 176.997 176.870 -0.789 0.000 1.088 643 L CA 0.686 55.126 54.840 -0.666 0.000 0.849 643 L CB 0.051 41.335 42.059 -1.293 0.000 1.012 643 L HN 0.663 nan 8.230 nan 0.000 0.468 644 F N -0.387 119.582 119.950 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 0.332 39.299 39.000 -0.056 0.000 1.018 644 F HN -0.121 nan 8.300 nan 0.000 0.627 645 R N 0.092 120.625 120.500 0.056 0.000 2.573 645 R HA 0.463 4.803 4.340 -0.000 0.000 0.272 645 R C -0.990 175.300 176.300 -0.017 0.000 1.009 645 R CA -0.672 55.405 56.100 -0.039 0.000 1.059 645 R CB 0.784 30.959 30.300 -0.207 0.000 1.112 645 R HN 0.073 nan 8.270 nan 0.000 0.517 646 H N 0.393 119.436 119.070 -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 55.854 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 2.461 118.016 115.700 -0.241 0.000 3.829 647 S HA -0.015 4.455 4.470 -0.000 0.000 0.250 647 S C -0.084 174.608 174.600 0.154 0.000 1.263 647 S CA -0.237 57.996 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 0.727 nan 8.310 nan 0.000 0.483 648 D N 0.716 121.218 120.400 0.169 0.000 2.427 648 D HA 0.110 4.750 4.640 -0.000 0.000 0.224 648 D C 0.225 176.585 176.300 0.100 0.000 1.157 648 D CA -0.459 53.644 54.000 0.171 0.000 0.828 648 D CB -0.247 40.649 40.800 0.160 0.000 0.974 648 D HN 0.485 nan 8.370 nan 0.000 0.498 649 N N 0.170 118.927 118.700 0.096 0.000 2.605 649 N HA 0.133 4.873 4.740 -0.000 0.000 0.265 649 N C -1.630 173.937 175.510 0.095 0.000 1.625 649 N CA -0.151 52.945 53.050 0.077 0.000 0.862 649 N CB 0.278 38.797 38.487 0.055 0.000 1.415 649 N HN -0.024 nan 8.380 nan 0.000 0.513 650 E N 0.088 120.339 120.200 0.085 0.000 2.278 650 E HA 0.462 4.812 4.350 -0.000 0.000 0.272 650 E C -1.717 174.914 176.600 0.052 0.000 0.890 650 E CA -0.597 55.839 56.400 0.061 0.000 0.770 650 E CB 1.957 31.661 29.700 0.006 0.000 1.212 650 E HN 0.085 nan 8.360 nan 0.000 0.415 651 L N 3.126 124.388 121.223 0.064 0.000 2.362 651 L HA 0.555 4.895 4.340 -0.000 0.000 0.275 651 L C -1.510 175.446 176.870 0.143 0.000 0.998 651 L CA -0.926 53.984 54.840 0.116 0.000 0.820 651 L CB 1.635 43.789 42.059 0.159 0.000 1.270 651 L HN 0.594 nan 8.230 nan 0.000 0.415 652 L N 4.875 126.219 121.223 0.200 0.000 2.265 652 L HA 0.422 4.762 4.340 -0.000 0.000 0.289 652 L C -0.598 176.500 176.870 0.380 0.000 1.033 652 L CA 0.139 55.128 54.840 0.248 0.000 0.814 652 L CB 0.389 42.586 42.059 0.231 0.000 1.203 652 L HN 0.547 nan 8.230 nan 0.000 0.423 653 H N 5.934 125.068 119.070 0.107 0.000 2.488 653 H HA 0.345 4.901 4.556 -0.000 0.000 0.322 653 H C -1.084 174.326 175.328 0.136 0.000 1.078 653 H CA -0.713 55.360 56.048 0.041 0.000 1.260 653 H CB 0.926 30.679 29.762 -0.015 0.000 1.425 653 H HN 0.702 nan 8.280 nan 0.000 0.471 654 W N 3.667 125.032 121.300 0.109 0.000 2.850 654 W HA 0.592 5.252 4.660 -0.000 0.000 0.349 654 W C -1.312 175.249 176.519 0.070 0.000 1.133 654 W CA -1.452 55.950 57.345 0.095 0.000 1.117 654 W CB 1.570 31.078 29.460 0.081 0.000 1.442 654 W HN 0.560 nan 8.180 nan 0.000 0.575 655 M N 1.467 121.420 119.600 0.588 0.000 2.389 655 M HA 0.518 4.998 4.480 -0.000 0.000 0.291 655 M C -2.668 173.873 176.300 0.402 0.000 1.128 655 M CA -0.465 55.040 55.300 0.341 0.000 0.942 655 M CB 1.855 34.488 32.600 0.055 0.000 1.783 655 M HN 0.129 nan 8.290 nan 0.000 0.501 656 V N 3.160 123.294 119.914 0.367 0.000 2.459 656 V HA 1.024 5.144 4.120 -0.000 0.000 0.295 656 V C -0.175 176.039 176.094 0.199 0.000 1.029 656 V CA 0.006 62.483 62.300 0.295 0.000 0.874 656 V CB 1.231 33.228 31.823 0.290 0.000 0.985 656 V HN 1.084 nan 8.190 nan 0.000 0.438 657 A N 4.488 127.435 122.820 0.212 0.000 2.515 657 A HA 0.879 5.199 4.320 -0.000 0.000 0.298 657 A C -1.525 176.191 177.584 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 20.820 19.000 0.089 0.000 1.289 657 A HN 0.870 nan 8.150 nan 0.000 0.404 658 L N 1.495 122.813 121.223 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 0.419 42.547 42.059 0.115 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 1.114 177.439 176.300 0.041 0.000 1.149 659 D CA 1.624 55.771 54.000 0.245 0.000 0.682 659 D CB -1.115 39.800 40.800 0.192 0.000 1.068 659 D HN 1.168 nan 8.370 nan 0.000 0.429 660 G N -1.378 107.403 108.800 -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 45.354 45.100 -0.205 0.000 0.623 660 G HN 0.449 nan 8.290 nan 0.000 0.514 661 K N 1.985 122.361 120.400 -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 54.247 56.287 -0.030 0.000 0.887 661 K CB 1.923 34.417 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 0.826 32.500 31.700 -0.043 0.000 0.895 663 L N 1.345 122.595 121.223 0.047 0.000 2.685 663 L HA 0.535 4.875 4.340 -0.000 0.000 0.235 663 L C 0.813 177.720 176.870 0.063 0.000 1.070 663 L CA 0.203 55.076 54.840 0.055 0.000 0.888 663 L CB 0.213 42.321 42.059 0.081 0.000 1.203 663 L HN 0.346 nan 8.230 nan 0.000 0.499 664 A N -0.144 122.726 122.820 0.083 0.000 2.577 664 A HA 0.718 5.038 4.320 -0.000 0.000 0.297 664 A C -0.965 176.558 177.584 -0.102 0.000 1.060 664 A CA -0.340 51.744 52.037 0.078 0.000 0.697 664 A CB 1.494 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 -1.438 0.000 1.117 665 S CA -0.317 57.320 58.200 -0.938 0.000 0.873 665 S CB 2.014 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 0.034 107.703 108.800 -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 -0.654 43.666 45.100 -1.300 0.000 0.798 666 G HN 0.608 nan 8.290 nan 0.000 0.488 667 E N -1.008 119.009 120.200 -0.306 0.000 2.292 667 E HA 0.626 4.976 4.350 -0.000 0.000 0.272 667 E C -1.344 175.305 176.600 0.082 0.000 0.881 667 E CA -0.649 55.665 56.400 -0.144 0.000 0.754 667 E CB 3.066 32.621 29.700 -0.242 0.000 1.201 667 E HN 0.348 nan 8.360 nan 0.000 0.425 668 V N 3.811 123.824 119.914 0.164 0.000 2.808 668 V HA 0.463 4.583 4.120 -0.000 0.000 0.308 668 V C -2.548 173.632 176.094 0.144 0.000 1.099 668 V CA -1.778 60.619 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 -0.883 176.469 177.300 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 2.736 123.996 121.223 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 0.370 55.229 54.840 0.032 0.000 0.816 670 L CB 0.400 42.416 42.059 -0.071 0.000 1.129 670 L HN 0.351 nan 8.230 nan 0.000 0.448 671 D N 2.266 122.705 120.400 0.065 0.000 2.517 671 D HA 0.355 4.995 4.640 -0.000 0.000 0.263 671 D C -1.268 175.024 176.300 -0.014 0.000 1.233 671 D CA -0.089 53.985 54.000 0.123 0.000 0.849 671 D CB 0.904 41.822 40.800 0.197 0.000 1.261 671 D HN 0.084 nan 8.370 nan 0.000 0.516 672 V N 0.566 120.326 119.914 -0.256 0.000 2.540 672 V HA 0.901 5.021 4.120 -0.000 0.000 0.302 672 V C 0.647 176.472 176.094 -0.448 0.000 1.035 672 V CA -1.361 60.830 62.300 -0.181 0.000 0.873 672 V CB 1.422 33.272 31.823 0.045 0.000 0.992 672 V HN 0.420 nan 8.190 nan 0.000 0.428 673 A N 5.659 128.388 122.820 -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 -1.622 50.425 52.037 0.017 0.000 0.798 673 A CB -0.069 19.011 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 -0.761 119.027 119.800 -0.020 0.000 2.416 675 Q HA -0.161 4.179 4.340 -0.000 0.000 0.235 675 Q C 0.690 176.686 176.000 -0.006 0.000 0.773 675 Q CA 1.301 57.085 55.803 -0.031 0.000 1.286 675 Q CB -2.213 26.494 28.738 -0.051 0.000 1.556 675 Q HN 0.762 nan 8.270 nan 0.000 0.650 676 G N 0.268 109.077 108.800 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 -0.540 119.884 120.400 0.040 0.000 2.328 677 K HA 0.499 4.818 4.320 -0.000 0.000 0.246 677 K C -0.911 175.722 176.600 0.054 0.000 0.955 677 K CA -0.566 55.748 56.287 0.045 0.000 0.817 677 K CB 2.407 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 3.117 122.955 119.800 0.063 0.000 2.289 678 Q HA 0.359 4.699 4.340 -0.000 0.000 0.270 678 Q C -1.665 174.376 176.000 0.067 0.000 1.038 678 Q CA -0.629 55.214 55.803 0.066 0.000 0.812 678 Q CB 1.355 30.136 28.738 0.072 0.000 1.300 678 Q HN 0.534 nan 8.270 nan 0.000 0.427 679 L N 5.221 126.475 121.223 0.052 0.000 2.282 679 L HA 0.546 4.886 4.340 -0.000 0.000 0.288 679 L C -0.438 176.453 176.870 0.034 0.000 1.033 679 L CA -0.647 54.217 54.840 0.038 0.000 0.807 679 L CB 1.237 43.308 42.059 0.021 0.000 1.209 679 L HN 0.605 nan 8.230 nan 0.000 0.423 680 I N 3.175 123.759 120.570 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 6.792 126.964 120.200 -0.046 0.000 2.180 681 E HA 0.356 4.706 4.350 -0.000 0.000 0.283 681 E C -0.590 175.937 176.600 -0.122 0.000 1.061 681 E CA -0.291 56.064 56.400 -0.075 0.000 0.861 681 E CB 1.296 30.971 29.700 -0.041 0.000 1.056 681 E HN 0.474 nan 8.360 nan 0.000 0.407 682 L N 6.131 127.238 121.223 -0.193 0.000 2.326 682 L HA 0.295 4.635 4.340 -0.000 0.000 0.278 682 L C -1.774 174.982 176.870 -0.189 0.000 1.092 682 L CA -1.823 52.839 54.840 -0.296 0.000 0.810 682 L CB 1.024 42.811 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 -0.472 176.784 177.300 -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 0.815 120.996 120.200 -0.033 0.000 2.480 684 E HA 0.039 4.389 4.350 -0.000 0.000 0.258 684 E C -0.251 176.338 176.600 -0.017 0.000 0.984 684 E CA 0.014 56.394 56.400 -0.034 0.000 0.930 684 E CB 0.143 29.832 29.700 -0.019 0.000 0.936 684 E HN 0.325 nan 8.360 nan 0.000 0.466 685 L N 6.454 127.653 121.223 -0.039 0.000 2.350 685 L HA 0.303 4.643 4.340 -0.000 0.000 0.275 685 L C -1.868 175.009 176.870 0.012 0.000 1.099 685 L CA -2.112 52.719 54.840 -0.014 0.000 0.808 685 L CB 0.526 42.555 42.059 -0.050 0.000 1.149 685 L HN 0.424 nan 8.230 nan 0.000 0.442 686 P HA 0.055 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 -0.195 62.929 63.100 0.042 0.000 0.771 686 P CB 0.529 32.268 31.700 0.064 0.000 0.858 687 Q N 2.216 122.029 119.800 0.020 0.000 2.965 687 Q HA 0.265 4.605 4.340 -0.000 0.000 0.288 687 Q C -2.070 173.940 176.000 0.017 0.000 0.974 687 Q CA -1.505 54.306 55.803 0.013 0.000 0.849 687 Q CB 0.411 29.151 28.738 0.002 0.000 1.280 687 Q HN 0.424 nan 8.270 nan 0.000 0.441 688 P HA -0.044 nan 4.420 nan 0.000 0.267 688 P C -0.013 177.299 177.300 0.022 0.000 1.201 688 P CA 0.150 63.266 63.100 0.027 0.000 0.775 688 P CB 1.239 32.961 31.700 0.037 0.000 0.854 689 E N -0.120 120.093 120.200 0.021 0.000 2.201 689 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 689 E C 0.471 177.085 176.600 0.023 0.000 0.957 689 E CA 0.379 56.791 56.400 0.019 0.000 0.858 689 E CB -0.320 29.390 29.700 0.017 0.000 0.816 689 E HN 0.525 nan 8.360 nan 0.000 0.475 690 S N 1.628 117.344 115.700 0.027 0.000 2.550 690 S HA 0.181 4.651 4.470 -0.000 0.000 0.285 690 S C 0.409 175.032 174.600 0.038 0.000 1.326 690 S CA 0.016 58.235 58.200 0.033 0.000 1.037 690 S CB 0.666 63.887 63.200 0.035 0.000 0.838 690 S HN 0.275 nan 8.310 nan 0.000 0.519 691 A N 1.567 124.412 122.820 0.042 0.000 2.322 691 A HA 0.793 5.113 4.320 -0.000 0.000 0.269 691 A C 0.888 178.509 177.584 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 18.979 19.000 0.048 0.000 1.047 691 A HN 1.881 nan 8.150 nan 0.000 0.487 692 G N -0.141 108.698 108.800 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 -1.284 173.664 174.900 0.079 0.000 1.294 692 G CA -0.855 44.302 45.100 0.094 0.000 0.962 692 G HN 0.859 nan 8.290 nan 0.000 0.508 693 Q N -0.631 119.250 119.800 0.134 0.000 2.307 693 Q HA 0.620 4.960 4.340 -0.000 0.000 0.262 693 Q C -0.800 175.292 176.000 0.153 0.000 0.961 693 Q CA -0.761 55.083 55.803 0.069 0.000 0.882 693 Q CB 2.351 31.161 28.738 0.120 0.000 1.264 693 Q HN 0.514 nan 8.270 nan 0.000 0.446 694 L N 3.517 124.722 121.223 -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 42.560 42.059 0.006 0.000 1.193 694 L HN 0.569 nan 8.230 nan 0.000 0.426 695 W N 5.446 126.812 121.300 0.111 0.000 2.915 695 W HA 0.565 5.225 4.660 -0.000 0.000 0.337 695 W C -1.117 175.509 176.519 0.179 0.000 1.102 695 W CA -0.679 56.755 57.345 0.148 0.000 1.224 695 W CB 1.727 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 2.987 124.507 121.223 0.495 0.000 2.307 696 L HA 0.792 5.131 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 55.283 54.840 0.443 0.000 0.810 696 L CB 1.353 43.619 42.059 0.345 0.000 1.231 696 L HN 0.340 nan 8.230 nan 0.000 0.423 697 T N 4.960 119.754 114.554 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 -0.430 61.852 62.100 0.303 0.000 0.970 697 T CB 1.578 70.562 68.868 0.193 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 0.209 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 2.103 122.685 120.500 0.137 0.000 2.673 699 R HA 0.802 5.142 4.340 -0.000 0.000 0.281 699 R C -1.629 174.750 176.300 0.131 0.000 0.991 699 R CA -0.666 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 3.727 123.750 119.914 0.182 0.000 2.398 700 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 700 V C -0.425 175.712 176.094 0.073 0.000 1.026 700 V CA -0.619 61.762 62.300 0.134 0.000 0.868 700 V CB 1.717 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 4.735 124.641 119.914 -0.013 0.000 2.628 701 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 701 V C -0.328 175.789 176.094 0.040 0.000 1.045 701 V CA -0.815 61.460 62.300 -0.042 0.000 0.905 701 V CB 1.982 33.671 31.823 -0.224 0.000 0.997 701 V HN 0.872 nan 8.190 nan 0.000 0.436 702 Q N 4.523 124.373 119.800 0.082 0.000 2.421 702 Q HA 0.272 4.612 4.340 -0.000 0.000 0.242 702 Q C -1.782 174.244 176.000 0.043 0.000 1.024 702 Q CA -1.785 54.073 55.803 0.091 0.000 0.891 702 Q CB 1.876 30.690 28.738 0.126 0.000 1.222 702 Q HN 0.488 nan 8.270 nan 0.000 0.483 703 P HA -0.197 nan 4.420 nan 0.000 0.215 703 P C -0.581 176.724 177.300 0.009 0.000 1.157 703 P CA 1.350 64.467 63.100 0.029 0.000 0.868 703 P CB 0.319 32.044 31.700 0.041 0.000 0.788 704 N N -0.875 117.823 118.700 -0.003 0.000 2.456 704 N HA 0.459 5.199 4.740 -0.000 0.000 0.296 704 N C -0.359 175.106 175.510 -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 0.489 123.257 122.820 -0.088 0.000 2.346 705 A HA 0.544 4.864 4.320 -0.000 0.000 0.252 705 A C 0.546 178.008 177.584 -0.204 0.000 1.089 705 A CA -0.073 51.873 52.037 -0.152 0.000 0.797 705 A CB 0.017 18.951 19.000 -0.110 0.000 1.047 705 A HN 0.737 nan 8.150 nan 0.000 0.494 706 T N -3.512 110.836 114.554 -0.344 0.000 2.742 706 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 706 T C 0.853 175.361 174.700 -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 -0.214 122.492 122.820 -0.189 0.000 2.119 707 A HA 0.161 4.481 4.320 -0.000 0.000 0.217 707 A C 1.573 179.262 177.584 0.175 0.000 1.153 707 A CA 0.790 52.860 52.037 0.054 0.000 0.692 707 A CB -0.806 18.317 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 -0.132 176.351 176.519 -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 28.466 29.460 0.014 0.000 1.106 708 W HN 0.395 nan 8.180 nan 0.000 0.545 709 S N 0.428 115.729 115.700 -0.664 0.000 2.556 709 S HA 0.443 4.913 4.470 -0.000 0.000 0.271 709 S C -0.514 173.855 174.600 -0.385 0.000 1.135 709 S CA -0.704 57.117 58.200 -0.631 0.000 0.858 709 S CB 2.768 65.214 63.200 -1.256 0.000 1.114 709 S HN 0.101 nan 8.310 nan 0.000 0.468 710 E N 0.873 120.956 120.200 -0.195 0.000 2.322 710 E HA 0.572 4.922 4.350 -0.000 0.000 0.257 710 E C 0.252 176.813 176.600 -0.065 0.000 1.155 710 E CA -0.887 55.458 56.400 -0.093 0.000 0.936 710 E CB 0.884 30.577 29.700 -0.012 0.000 1.130 710 E HN 0.874 nan 8.360 nan 0.000 0.465 711 A N -0.202 122.596 122.820 -0.037 0.000 2.425 711 A HA 0.450 4.770 4.320 -0.000 0.000 0.249 711 A C 1.035 178.629 177.584 0.017 0.000 1.084 711 A CA 0.538 52.565 52.037 -0.017 0.000 0.781 711 A CB -0.236 18.755 19.000 -0.015 0.000 1.019 711 A HN 0.779 nan 8.150 nan 0.000 0.490 712 G N 0.336 109.152 108.800 0.026 0.000 2.136 712 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.242 712 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.242 712 G C 0.141 175.069 174.900 0.047 0.000 0.989 712 G CA 0.684 45.795 45.100 0.019 0.000 0.682 712 G HN 1.612 nan 8.290 nan 0.000 0.522 713 H N 0.449 119.510 119.070 -0.014 0.000 2.764 713 H HA 0.494 5.050 4.556 -0.000 0.000 0.341 713 H C 0.505 175.876 175.328 0.072 0.000 1.072 713 H CA -0.429 55.637 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 4.760 125.060 120.570 -0.450 0.000 2.325 714 I HA 0.012 4.182 4.170 -0.000 0.000 0.291 714 I C 1.059 177.059 176.117 -0.195 0.000 1.019 714 I CA 0.152 61.324 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 4.049 119.847 115.700 0.163 0.000 2.526 715 S HA 0.625 5.094 4.470 -0.000 0.000 0.220 715 S C 0.498 175.366 174.600 0.446 0.000 1.017 715 S CA 0.059 58.483 58.200 0.372 0.000 0.930 715 S CB 0.722 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 0.554 123.673 122.820 0.499 0.000 2.608 716 A HA 0.699 5.019 4.320 -0.000 0.000 0.292 716 A C -1.786 176.177 177.584 0.632 0.000 1.066 716 A CA -0.915 51.407 52.037 0.475 0.000 0.676 716 A CB 0.443 19.766 19.000 0.539 0.000 1.277 716 A HN 0.914 nan 8.150 nan 0.000 0.413 717 W N -0.449 121.013 121.300 0.271 0.000 2.959 717 W HA 0.813 5.473 4.660 -0.000 0.000 0.358 717 W C -1.154 175.392 176.519 0.046 0.000 1.228 717 W CA -0.635 56.751 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 1.446 121.282 119.800 0.060 0.000 2.617 718 Q HA 0.334 4.674 4.340 -0.000 0.000 0.270 718 Q C -1.760 174.012 176.000 -0.379 0.000 0.967 718 Q CA -0.591 55.064 55.803 -0.247 0.000 0.887 718 Q CB 2.149 30.568 28.738 -0.531 0.000 1.516 718 Q HN 0.670 nan 8.270 nan 0.000 0.395 719 Q N 2.540 122.053 119.800 -0.478 0.000 2.416 719 Q HA 0.726 5.066 4.340 -0.000 0.000 0.281 719 Q C -1.461 174.396 176.000 -0.239 0.000 1.067 719 Q CA -0.591 55.100 55.803 -0.186 0.000 0.809 719 Q CB 1.743 30.563 28.738 0.138 0.000 1.418 719 Q HN 0.629 nan 8.270 nan 0.000 0.411 720 W N 2.003 123.496 121.300 0.320 0.000 3.032 720 W HA 0.463 5.123 4.660 -0.000 0.000 0.335 720 W C -0.534 175.987 176.519 0.004 0.000 1.154 720 W CA -0.855 56.596 57.345 0.176 0.000 1.204 720 W CB 2.083 31.584 29.460 0.069 0.000 1.416 720 W HN 0.683 nan 8.180 nan 0.000 0.521 721 R N 2.263 122.646 120.500 -0.195 0.000 2.216 721 R HA 0.284 4.624 4.340 -0.000 0.000 0.332 721 R C 0.745 176.832 176.300 -0.355 0.000 1.056 721 R CA -0.048 55.551 56.100 -0.836 0.000 0.901 721 R CB 0.554 30.159 30.300 -1.159 0.000 1.039 721 R HN 0.600 nan 8.270 nan 0.000 0.456 722 L N 2.963 124.015 121.223 -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 55.339 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 0.540 120.685 120.200 -0.092 0.000 2.291 724 E HA 0.400 4.750 4.350 -0.000 0.000 0.276 724 E C -1.770 174.814 176.600 -0.026 0.000 0.896 724 E CA -0.606 55.755 56.400 -0.064 0.000 0.774 724 E CB 1.227 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 5.093 123.791 118.700 -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 52.694 53.050 0.008 0.000 0.938 725 N CB 1.331 39.827 38.487 0.015 0.000 1.144 725 N HN 0.496 nan 8.380 nan 0.000 0.500 726 L N 0.876 122.109 121.223 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 0.186 55.041 54.840 0.026 0.000 0.846 726 L CB 0.587 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 1.725 117.449 115.700 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 0.603 63.833 63.200 0.050 0.000 0.956 727 S HN 0.421 nan 8.310 nan 0.000 0.490 728 V N 3.077 123.010 119.914 0.031 0.000 3.063 728 V HA 0.381 4.501 4.120 -0.000 0.000 0.379 728 V C 0.530 176.640 176.094 0.028 0.000 1.310 728 V CA -0.293 62.024 62.300 0.028 0.000 1.333 728 V CB -1.039 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 -0.426 114.147 114.554 0.032 0.000 2.918 729 T HA 0.804 5.154 4.350 -0.000 0.000 0.286 729 T C -0.621 174.098 174.700 0.031 0.000 1.026 729 T CA -0.734 61.384 62.100 0.030 0.000 1.031 729 T CB 2.082 70.968 68.868 0.029 0.000 1.046 729 T HN 0.271 nan 8.240 nan 0.000 0.479 730 L N 3.067 124.307 121.223 0.027 0.000 2.296 730 L HA 0.554 4.894 4.340 -0.000 0.000 0.286 730 L C -1.886 174.997 176.870 0.023 0.000 1.023 730 L CA -1.945 52.910 54.840 0.025 0.000 0.812 730 L CB 0.520 42.592 42.059 0.021 0.000 1.223 730 L HN 0.577 nan 8.230 nan 0.000 0.421 731 P HA 0.332 nan 4.420 nan 0.000 0.271 731 P C -0.503 176.802 177.300 0.010 0.000 1.216 731 P CA -0.406 62.704 63.100 0.017 0.000 0.776 731 P CB 1.094 32.805 31.700 0.018 0.000 0.881 732 A N 2.499 125.321 122.820 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 -0.174 51.863 52.037 -0.001 0.000 0.807 732 A CB -0.263 18.741 19.000 0.007 0.000 1.055 732 A HN 0.745 nan 8.150 nan 0.000 0.492 733 A N 0.826 123.637 122.820 -0.015 0.000 2.547 733 A HA 0.467 4.787 4.320 -0.000 0.000 0.233 733 A C 0.838 178.322 177.584 -0.165 0.000 1.067 733 A CA 0.579 52.597 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 0.379 115.989 115.700 -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 64.040 63.200 -0.092 0.000 1.064 734 S HN 0.662 nan 8.310 nan 0.000 0.525 735 H N -0.101 118.981 119.070 0.020 0.000 2.586 735 H HA 0.635 5.190 4.556 -0.000 0.000 0.273 735 H C 0.491 175.828 175.328 0.014 0.000 0.997 735 H CA 0.463 56.519 56.048 0.015 0.000 1.177 735 H CB 0.063 29.832 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 -0.910 176.699 177.584 0.043 0.000 1.101 736 A CA -0.754 51.322 52.037 0.066 0.000 0.674 736 A CB 1.328 20.370 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 -2.867 173.291 176.117 0.069 0.000 1.087 737 I CA -2.756 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 63.366 63.100 0.106 0.000 0.789 738 P CB 0.207 31.934 31.700 0.045 0.000 0.951 739 H N 1.464 120.566 119.070 0.053 0.000 2.539 739 H HA 0.388 4.944 4.556 -0.000 0.000 0.332 739 H C -0.986 174.372 175.328 0.050 0.000 1.031 739 H CA -1.049 55.023 56.048 0.040 0.000 1.206 739 H CB 0.944 30.731 29.762 0.042 0.000 1.446 739 H HN 0.206 nan 8.280 nan 0.000 0.496 740 L N 4.243 125.342 121.223 -0.207 0.000 2.421 740 L HA 0.370 4.710 4.340 -0.000 0.000 0.263 740 L C -0.599 176.080 176.870 -0.318 0.000 1.122 740 L CA 0.277 54.980 54.840 -0.228 0.000 0.804 740 L CB 1.655 43.644 42.059 -0.117 0.000 1.150 740 L HN 0.704 nan 8.230 nan 0.000 0.457 741 T N 2.289 116.765 114.554 -0.130 0.000 3.483 741 T HA 0.292 4.642 4.350 -0.000 0.000 0.329 741 T C -0.943 173.814 174.700 0.094 0.000 1.014 741 T CA -0.434 61.634 62.100 -0.053 0.000 1.056 741 T CB 0.905 69.721 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 0.294 175.053 174.700 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 70.422 68.868 0.239 0.000 0.932 742 T HN 0.569 nan 8.240 nan 0.000 0.469 743 S N 1.781 117.515 115.700 0.055 0.000 2.837 743 S HA 0.431 4.901 4.470 -0.000 0.000 0.314 743 S C 0.916 175.493 174.600 -0.038 0.000 1.098 743 S CA -0.615 57.588 58.200 0.005 0.000 0.903 743 S CB 1.577 64.777 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 1.534 178.064 176.600 -0.116 0.000 0.973 744 E CA 0.372 56.732 56.400 -0.068 0.000 0.851 744 E CB 0.017 29.694 29.700 -0.039 0.000 0.804 744 E HN 0.530 nan 8.360 nan 0.000 0.477 745 M N 1.007 120.549 119.600 -0.097 0.000 2.476 745 M HA 0.107 4.587 4.480 -0.000 0.000 0.262 745 M C -0.172 176.046 176.300 -0.136 0.000 1.111 745 M CA 0.805 56.049 55.300 -0.092 0.000 1.127 745 M CB -0.523 32.054 32.600 -0.038 0.000 1.376 745 M HN 0.023 nan 8.290 nan 0.000 0.465 746 D N -1.716 118.582 120.400 -0.170 0.000 2.692 746 D HA 0.472 5.112 4.640 -0.000 0.000 0.290 746 D C -1.062 175.129 176.300 -0.181 0.000 1.281 746 D CA -0.681 53.208 54.000 -0.185 0.000 0.804 746 D CB 0.702 41.503 40.800 0.003 0.000 1.331 746 D HN -0.056 nan 8.370 nan 0.000 0.432 750 E N 4.457 124.790 120.200 0.222 0.000 2.317 750 E HA 0.811 5.161 4.350 -0.000 0.000 0.270 750 E C -1.876 174.892 176.600 0.280 0.000 0.885 750 E CA -0.728 55.815 56.400 0.238 0.000 0.760 750 E CB 3.259 33.027 29.700 0.114 0.000 1.227 750 E HN 0.531 nan 8.360 nan 0.000 0.434 751 L N 4.470 125.854 121.223 0.269 0.000 2.673 751 L HA 0.513 4.853 4.340 -0.000 0.000 0.255 751 L C -0.103 176.848 176.870 0.135 0.000 1.015 751 L CA 0.741 55.719 54.840 0.230 0.000 0.930 751 L CB 0.793 43.039 42.059 0.311 0.000 1.185 751 L HN 0.802 nan 8.230 nan 0.000 0.457 752 G N 3.521 112.369 108.800 0.080 0.000 2.509 752 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.256 752 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.256 752 G C 0.554 175.451 174.900 -0.004 0.000 1.152 752 G CA 0.403 45.524 45.100 0.034 0.000 0.951 752 G HN 0.874 nan 8.290 nan 0.000 0.559 753 N N 1.190 119.872 118.700 -0.030 0.000 2.331 753 N HA 0.007 4.747 4.740 -0.000 0.000 0.180 753 N C 0.839 176.284 175.510 -0.108 0.000 1.019 753 N CA 1.410 54.423 53.050 -0.062 0.000 0.881 753 N CB -0.205 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 0.598 120.908 120.400 -0.151 0.000 2.350 754 K HA 0.270 4.589 4.320 -0.000 0.000 0.279 754 K C -0.113 176.265 176.600 -0.371 0.000 1.027 754 K CA 0.000 56.065 56.287 -0.371 0.000 0.969 754 K CB 1.036 33.238 32.500 -0.498 0.000 0.954 754 K HN 0.066 nan 8.250 nan 0.000 0.474 755 R N 1.860 122.065 120.500 -0.491 0.000 2.698 755 R HA 0.401 4.741 4.340 -0.000 0.000 0.275 755 R C -1.557 174.649 176.300 -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 31.748 30.300 -0.061 0.000 1.218 755 R HN 0.592 nan 8.270 nan 0.000 0.462 756 W N 2.837 124.248 121.300 0.184 0.000 2.883 756 W HA 0.328 4.988 4.660 -0.000 0.000 0.335 756 W C -0.754 175.852 176.519 0.146 0.000 1.083 756 W CA -0.530 56.880 57.345 0.108 0.000 1.233 756 W CB 2.236 31.728 29.460 0.053 0.000 1.412 756 W HN 0.420 nan 8.180 nan 0.000 0.490 757 Q N 2.596 122.541 119.800 0.242 0.000 2.340 757 Q HA 0.488 4.828 4.340 -0.000 0.000 0.268 757 Q C -1.995 173.949 176.000 -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 2.764 122.803 119.950 0.148 0.000 2.426 758 F HA 0.318 4.845 4.527 -0.000 0.000 0.348 758 F C 0.610 176.425 175.800 0.025 0.000 1.124 758 F CA -0.789 57.265 58.000 0.089 0.000 1.008 758 F CB 1.374 40.453 39.000 0.132 0.000 1.139 758 F HN 0.510 nan 8.300 nan 0.000 0.452 759 N N 3.474 122.262 118.700 0.147 0.000 2.497 759 N HA 0.077 4.817 4.740 -0.000 0.000 0.268 759 N C 0.925 176.428 175.510 -0.012 0.000 1.171 759 N CA 0.027 53.110 53.050 0.056 0.000 0.948 759 N CB 0.791 39.322 38.487 0.073 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 2.001 122.415 120.500 -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 0.980 56.934 56.100 -0.243 0.000 1.010 760 R CB 0.311 30.354 30.300 -0.427 0.000 0.900 760 R HN 0.701 nan 8.270 nan 0.000 0.469 761 Q N -0.825 118.933 119.800 -0.071 0.000 2.373 761 Q HA 0.034 4.374 4.340 -0.000 0.000 0.210 761 Q C 1.831 177.816 176.000 -0.026 0.000 0.913 761 Q CA 1.150 56.926 55.803 -0.046 0.000 0.911 761 Q CB 0.480 29.205 28.738 -0.022 0.000 1.040 761 Q HN 0.214 nan 8.270 nan 0.000 0.521 762 S N -0.297 115.408 115.700 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 0.542 58.763 58.200 0.035 0.000 0.931 762 S CB 0.316 63.648 63.200 0.220 0.000 0.791 762 S HN 0.490 nan 8.310 nan 0.000 0.513 763 G N 0.563 109.297 108.800 -0.110 0.000 2.143 763 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 763 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 763 G C -0.129 174.685 174.900 -0.143 0.000 0.991 763 G CA 0.326 45.347 45.100 -0.131 0.000 0.689 763 G HN 0.539 nan 8.290 nan 0.000 0.522 764 F N -1.321 118.814 119.950 0.309 0.000 2.538 764 F HA 0.642 5.169 4.527 -0.000 0.000 0.325 764 F C 0.499 176.328 175.800 0.048 0.000 1.066 764 F CA -1.465 56.679 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 1.806 123.088 121.223 0.099 0.000 2.530 765 L HA 0.183 4.522 4.340 -0.000 0.000 0.273 765 L C 0.601 177.368 176.870 -0.171 0.000 1.141 765 L CA 0.830 55.359 54.840 -0.518 0.000 0.905 765 L CB 0.412 42.168 42.059 -0.505 0.000 1.202 765 L HN 0.642 nan 8.230 nan 0.000 0.473 766 S N 2.472 118.068 115.700 -0.174 0.000 2.470 766 S HA 0.142 4.611 4.470 -0.000 0.000 0.222 766 S C 0.274 174.771 174.600 -0.172 0.000 1.024 766 S CA 0.322 58.472 58.200 -0.084 0.000 0.931 766 S CB 0.006 63.194 63.200 -0.019 0.000 0.791 766 S HN 0.757 nan 8.310 nan 0.000 0.513 767 Q N -0.125 119.520 119.800 -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 -0.557 54.972 55.803 -0.456 0.000 0.787 767 Q CB 1.252 29.614 28.738 -0.627 0.000 1.476 767 Q HN 0.240 nan 8.270 nan 0.000 0.402 768 M N 0.870 120.016 119.600 -0.758 0.000 2.413 768 M HA 0.746 5.226 4.480 -0.000 0.000 0.287 768 M C -2.008 173.880 176.300 -0.686 0.000 1.186 768 M CA -0.274 54.670 55.300 -0.593 0.000 0.927 768 M CB 1.836 34.134 32.600 -0.505 0.000 1.715 768 M HN 0.541 nan 8.290 nan 0.000 0.478 769 W N 3.946 125.023 121.300 -0.371 0.000 2.761 769 W HA 0.674 5.333 4.660 -0.000 0.000 0.340 769 W C -1.399 174.916 176.519 -0.341 0.000 1.072 769 W CA -0.879 56.297 57.345 -0.282 0.000 1.215 769 W CB 2.006 31.331 29.460 -0.224 0.000 1.420 769 W HN 0.578 nan 8.180 nan 0.000 0.519 770 I N 2.767 123.341 120.570 0.007 0.000 2.448 770 I HA 0.401 4.571 4.170 -0.000 0.000 0.281 770 I C 0.728 176.838 176.117 -0.011 0.000 1.027 770 I CA 0.135 61.390 61.300 -0.074 0.000 1.111 770 I CB 1.083 39.010 38.000 -0.121 0.000 1.236 770 I HN 0.728 nan 8.210 nan 0.000 0.452 771 G N 5.840 114.628 108.800 -0.019 0.000 2.523 771 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.271 771 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.271 771 G C 0.249 175.169 174.900 0.034 0.000 1.146 771 G CA 0.457 45.550 45.100 -0.012 0.000 0.961 771 G HN 0.715 nan 8.290 nan 0.000 0.549 772 D N 0.777 121.215 120.400 0.062 0.000 2.431 772 D HA 0.233 4.873 4.640 -0.000 0.000 0.213 772 D C 0.622 177.062 176.300 0.232 0.000 1.130 772 D CA 0.132 54.203 54.000 0.119 0.000 0.834 772 D CB 0.315 41.136 40.800 0.036 0.000 0.985 772 D HN 0.504 nan 8.370 nan 0.000 0.504 773 K N 1.163 121.660 120.400 0.162 0.000 2.248 773 K HA 0.272 4.592 4.320 -0.000 0.000 0.281 773 K C -0.026 176.545 176.600 -0.048 0.000 1.054 773 K CA -0.443 55.879 56.287 0.057 0.000 0.903 773 K CB 1.619 34.114 32.500 -0.008 0.000 1.077 773 K HN -0.118 nan 8.250 nan 0.000 0.474 774 K N 2.203 122.492 120.400 -0.185 0.000 2.326 774 K HA 0.029 4.349 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 -0.193 55.791 56.287 -0.506 0.000 0.962 774 K CB 0.803 33.044 32.500 -0.432 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 -0.362 0.000 2.350 775 Q HA 0.193 4.533 4.340 -0.000 0.000 0.225 775 Q C 0.047 175.963 176.000 -0.140 0.000 0.878 775 Q CA 0.435 56.144 55.803 -0.158 0.000 0.935 775 Q CB 0.519 29.230 28.738 -0.046 0.000 1.099 775 Q HN 0.492 nan 8.270 nan 0.000 0.527 776 L N 0.548 121.628 121.223 -0.238 0.000 2.354 776 L HA 0.413 4.752 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 -0.256 120.838 121.223 -0.215 0.000 2.513 777 L HA 0.275 4.615 4.340 -0.000 0.000 0.222 777 L C 0.325 177.082 176.870 -0.188 0.000 1.096 777 L CA 0.574 55.292 54.840 -0.204 0.000 0.857 777 L CB 0.262 42.188 42.059 -0.223 0.000 1.026 777 L HN 0.595 nan 8.230 nan 0.000 0.469 778 T N -0.000 114.428 114.554 -0.210 0.000 2.916 778 T HA 0.416 4.766 4.350 -0.000 0.000 0.305 778 T C -2.652 171.980 174.700 -0.114 0.000 1.119 778 T CA -1.055 60.958 62.100 -0.145 0.000 1.008 778 T CB 2.712 71.456 68.868 -0.206 0.000 1.129 778 T HN -0.263 nan 8.240 nan 0.000 0.480 779 P HA 0.291 nan 4.420 nan 0.000 0.272 779 P C -0.799 176.458 177.300 -0.071 0.000 1.230 779 P CA -0.751 62.318 63.100 -0.051 0.000 0.788 779 P CB 0.437 32.137 31.700 0.000 0.000 0.949 780 L N 3.335 124.552 121.223 -0.011 0.000 2.313 780 L HA 0.305 4.645 4.340 -0.000 0.000 0.282 780 L C 0.439 177.218 176.870 -0.152 0.000 1.092 780 L CA 0.499 55.349 54.840 0.016 0.000 0.831 780 L CB -0.523 41.658 42.059 0.204 0.000 1.159 780 L HN 0.415 nan 8.230 nan 0.000 0.442 781 R N 2.187 122.540 120.500 -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 30.268 30.300 -0.932 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 54.216 54.000 -0.413 0.000 0.890 782 D CB 0.688 41.223 40.800 -0.441 0.000 1.201 782 D HN 0.313 nan 8.370 nan 0.000 0.432 783 Q N 1.239 120.458 119.800 -0.968 0.000 2.305 783 Q HA 0.369 4.709 4.340 -0.000 0.000 0.271 783 Q C -1.194 174.062 176.000 -1.241 0.000 1.046 783 Q CA -0.599 54.687 55.803 -0.860 0.000 0.798 783 Q CB 0.881 29.331 28.738 -0.480 0.000 1.286 783 Q HN 0.559 nan 8.270 nan 0.000 0.435 784 F N 0.637 120.225 119.950 -0.603 0.000 2.729 784 F HA 0.201 4.728 4.527 -0.000 0.000 0.315 784 F C 0.576 175.972 175.800 -0.673 0.000 1.102 784 F CA -0.216 57.334 58.000 -0.750 0.000 1.204 784 F CB 1.555 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 -0.887 113.391 114.554 -0.461 0.000 2.907 785 T HA 0.760 5.110 4.350 -0.000 0.000 0.290 785 T C -0.599 173.862 174.700 -0.399 0.000 1.066 785 T CA -0.976 60.774 62.100 -0.584 0.000 1.012 785 T CB 2.725 71.196 68.868 -0.661 0.000 1.184 785 T HN 0.237 nan 8.240 nan 0.000 0.522 786 R N -0.189 120.114 120.500 -0.329 0.000 2.771 786 R HA 0.757 5.097 4.340 -0.000 0.000 0.274 786 R C -0.906 175.450 176.300 0.093 0.000 0.987 786 R CA -1.184 54.852 56.100 -0.106 0.000 0.908 786 R CB 1.588 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 3.836 126.695 122.820 0.065 0.000 2.476 787 A HA 0.292 4.612 4.320 -0.000 0.000 0.275 787 A C -1.982 175.665 177.584 0.105 0.000 1.133 787 A CA -1.370 50.707 52.037 0.067 0.000 0.797 787 A CB -0.485 18.499 19.000 -0.026 0.000 1.081 787 A HN 0.567 nan 8.150 nan 0.000 0.510 788 P HA 0.035 nan 4.420 nan 0.000 0.263 788 P C -0.270 177.129 177.300 0.164 0.000 1.175 788 P CA 0.557 63.806 63.100 0.249 0.000 0.761 788 P CB 0.314 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 0.237 4.576 4.340 -0.000 0.000 0.256 789 L C 1.838 178.719 176.870 0.019 0.000 1.136 789 L CA -0.628 54.220 54.840 0.014 0.000 0.804 789 L CB 0.029 42.029 42.059 -0.099 0.000 1.181 789 L HN 0.275 nan 8.230 nan 0.000 0.469 790 D N 0.328 120.682 120.400 -0.076 0.000 2.123 790 D HA -0.162 4.477 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 55.334 54.000 -0.188 0.000 0.833 790 D CB 0.033 40.639 40.800 -0.323 0.000 0.954 790 D HN 0.473 nan 8.370 nan 0.000 0.455 791 N N 1.006 119.652 118.700 -0.089 0.000 2.309 791 N HA -0.106 4.633 4.740 -0.000 0.000 0.182 791 N C 1.092 176.617 175.510 0.026 0.000 1.018 791 N CA 0.676 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 0.139 120.565 120.400 0.044 0.000 2.277 792 D HA 0.062 4.702 4.640 -0.000 0.000 0.208 792 D C 1.875 178.228 176.300 0.089 0.000 0.962 792 D CA 0.349 54.410 54.000 0.102 0.000 0.865 792 D CB 0.276 41.193 40.800 0.196 0.000 0.939 792 D HN 0.340 nan 8.370 nan 0.000 0.510 793 I N -0.226 120.381 120.570 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 0.538 61.867 61.300 0.048 0.000 1.448 793 I CB -0.139 37.869 38.000 0.012 0.000 1.133 793 I HN 0.048 nan 8.210 nan 0.000 0.438 794 G N 1.632 110.479 108.800 0.079 0.000 2.596 794 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.304 794 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.304 794 G C 0.685 175.759 174.900 0.289 0.000 1.189 794 G CA 0.947 46.157 45.100 0.184 0.000 0.986 794 G HN 0.572 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 0.981 177.097 176.094 0.037 0.000 1.389 795 V CA 1.039 63.398 62.300 0.098 0.000 1.156 795 V CB 0.339 32.120 31.823 -0.069 0.000 1.103 795 V HN 1.281 nan 8.190 nan 0.000 0.453 796 S N 1.349 117.075 115.700 0.043 0.000 2.498 796 S HA 0.331 4.801 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 0.355 63.562 63.200 0.011 0.000 0.894 796 S HN 0.799 nan 8.310 nan 0.000 0.491 797 E N 2.452 122.659 120.200 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 -0.292 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 2.329 54.383 52.037 0.029 0.000 0.635 798 A CB -0.923 18.100 19.000 0.038 0.000 0.810 798 A HN 0.700 nan 8.150 nan 0.000 0.446 799 T N -2.570 111.994 114.554 0.017 0.000 2.851 799 T HA -0.007 4.343 4.350 -0.000 0.000 0.262 799 T C 1.146 175.846 174.700 -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 1.135 121.631 120.500 -0.006 0.000 2.402 800 R HA 0.442 4.782 4.340 -0.000 0.000 0.290 800 R C -0.755 175.534 176.300 -0.018 0.000 1.321 800 R CA -0.513 55.576 56.100 -0.018 0.000 1.283 800 R CB 0.175 30.456 30.300 -0.032 0.000 1.111 800 R HN 0.439 nan 8.270 nan 0.000 0.578 801 I N 2.234 122.796 120.570 -0.013 0.000 2.648 801 I HA -0.067 4.103 4.170 -0.000 0.000 0.284 801 I C 0.197 176.298 176.117 -0.026 0.000 1.153 801 I CA 0.549 61.841 61.300 -0.014 0.000 1.426 801 I CB 0.727 38.722 38.000 -0.008 0.000 1.381 801 I HN 0.431 nan 8.210 nan 0.000 0.571 802 D N 9.405 129.787 120.400 -0.029 0.000 2.472 802 D HA 0.262 4.902 4.640 -0.000 0.000 0.234 802 D C -1.678 174.583 176.300 -0.065 0.000 1.088 802 D CA -2.304 51.669 54.000 -0.044 0.000 0.882 802 D CB 1.352 42.131 40.800 -0.036 0.000 1.037 802 D HN 0.154 nan 8.370 nan 0.000 0.520 803 P HA -0.078 nan 4.420 nan 0.000 0.226 803 P C 0.488 177.694 177.300 -0.156 0.000 1.146 803 P CA 0.695 63.737 63.100 -0.097 0.000 0.773 803 P CB 0.376 32.028 31.700 -0.080 0.000 0.772 804 N N -0.455 118.147 118.700 -0.164 0.000 2.373 804 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 804 N C 0.804 176.114 175.510 -0.333 0.000 1.082 804 N CA 0.074 52.974 53.050 -0.249 0.000 0.885 804 N CB 0.021 38.387 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 58.775 57.345 -0.854 0.000 1.264 806 W CB -0.422 28.420 29.460 -1.031 0.000 1.154 806 W HN 0.558 nan 8.180 nan 0.000 0.483 807 V N 0.771 120.556 119.914 -0.216 0.000 2.392 807 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 807 V C 2.210 178.379 176.094 0.126 0.000 1.059 807 V CA 2.174 64.565 62.300 0.152 0.000 1.051 807 V CB -0.409 31.548 31.823 0.223 0.000 0.658 807 V HN 0.085 nan 8.190 nan 0.000 0.455 808 E N 0.032 120.220 120.200 -0.021 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 57.534 56.400 -0.019 0.000 0.806 808 E CB -0.347 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 -0.388 120.004 120.500 -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 -0.077 0.000 1.110 809 R CA 0.842 56.821 56.100 -0.202 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 1.866 123.140 121.300 -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 0.365 57.581 57.345 -0.216 0.000 1.285 810 W CB -0.602 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 0.153 120.801 120.400 0.412 0.000 2.009 811 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 811 K C 2.190 178.880 176.600 0.151 0.000 1.049 811 K CA 1.904 58.391 56.287 0.334 0.000 0.929 811 K CB -0.586 32.044 32.500 0.217 0.000 0.714 811 K HN -0.020 nan 8.250 nan 0.000 0.440 812 A N 0.955 123.831 122.820 0.093 0.000 2.070 812 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 812 A C 2.113 179.725 177.584 0.046 0.000 1.159 812 A CA 1.740 53.812 52.037 0.058 0.000 0.656 812 A CB -0.409 18.608 19.000 0.027 0.000 0.800 812 A HN 0.369 nan 8.150 nan 0.000 0.453 813 A N -1.936 120.890 122.820 0.010 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 1.172 53.227 52.037 0.031 0.000 0.804 813 A CB -0.733 18.260 19.000 -0.012 0.000 0.834 813 A HN 1.840 nan 8.150 nan 0.000 0.482 814 G N -1.412 107.283 108.800 -0.175 0.000 2.132 814 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.234 814 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.234 814 G C 0.544 175.415 174.900 -0.047 0.000 0.989 814 G CA 0.617 45.394 45.100 -0.538 0.000 0.676 814 G HN 0.737 nan 8.290 nan 0.000 0.522 815 H N -1.505 117.536 119.070 -0.047 0.000 2.387 815 H HA -0.087 4.468 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 1.575 57.594 56.048 -0.047 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 0.791 121.202 120.300 0.185 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 0.656 58.828 58.100 0.121 0.000 1.281 816 Y CB 0.387 38.906 38.460 0.099 0.000 1.013 816 Y HN 0.350 nan 8.280 nan 0.000 0.554 817 Q N -0.491 119.446 119.800 0.228 0.000 2.110 817 Q HA 0.466 4.806 4.340 -0.000 0.000 0.232 817 Q C -0.047 176.108 176.000 0.258 0.000 0.810 817 Q CA -0.343 55.590 55.803 0.217 0.000 1.083 817 Q CB 0.473 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 0.311 4.631 4.320 -0.000 0.000 0.248 818 A C -0.120 177.726 177.584 0.436 0.000 1.082 818 A CA -0.180 52.081 52.037 0.373 0.000 0.789 818 A CB 0.480 19.725 19.000 0.408 0.000 1.025 818 A HN 0.289 nan 8.150 nan 0.000 0.490 819 E N 0.778 121.180 120.200 0.336 0.000 2.133 819 E HA 0.470 4.820 4.350 -0.000 0.000 0.274 819 E C -0.136 176.440 176.600 -0.040 0.000 0.930 819 E CA -0.209 56.301 56.400 0.185 0.000 0.770 819 E CB 1.697 31.475 29.700 0.131 0.000 1.104 819 E HN 0.717 nan 8.360 nan 0.000 0.403 820 A N 2.461 125.144 122.820 -0.230 0.000 2.401 820 A HA 0.578 4.898 4.320 -0.000 0.000 0.259 820 A C -0.173 177.250 177.584 -0.268 0.000 1.103 820 A CA -0.126 51.500 52.037 -0.684 0.000 0.789 820 A CB 0.477 19.096 19.000 -0.635 0.000 1.035 820 A HN 0.546 nan 8.150 nan 0.000 0.491 821 A N 2.316 124.976 122.820 -0.266 0.000 2.343 821 A HA 0.579 4.899 4.320 -0.000 0.000 0.308 821 A C -0.642 176.870 177.584 -0.121 0.000 1.092 821 A CA -0.552 51.416 52.037 -0.116 0.000 0.751 821 A CB 0.733 19.687 19.000 -0.077 0.000 1.203 821 A HN 1.329 nan 8.150 nan 0.000 0.452 822 L N 3.189 124.329 121.223 -0.137 0.000 2.410 822 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 822 L C 0.369 177.112 176.870 -0.212 0.000 1.144 822 L CA 0.320 54.980 54.840 -0.301 0.000 0.863 822 L CB 0.272 42.149 42.059 -0.303 0.000 1.140 822 L HN 0.782 nan 8.230 nan 0.000 0.463 823 L N 3.637 124.719 121.223 -0.235 0.000 2.470 823 L HA 0.289 4.629 4.340 -0.000 0.000 0.219 823 L C 0.290 177.093 176.870 -0.113 0.000 1.071 823 L CA 0.093 54.859 54.840 -0.122 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 -0.370 119.332 119.800 -0.163 0.000 2.468 824 Q HA 0.260 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 -0.647 55.098 55.803 -0.097 0.000 0.932 824 Q CB 2.405 31.114 28.738 -0.048 0.000 1.462 824 Q HN 0.024 nan 8.270 nan 0.000 0.403 825 C N 3.542 122.825 119.300 -0.027 0.000 2.919 825 C HA 0.727 5.187 4.460 -0.000 0.000 0.337 825 C C -0.671 174.407 174.990 0.147 0.000 1.039 825 C CA 0.604 59.651 59.018 0.048 0.000 1.373 825 C CB 0.359 28.127 27.740 0.046 0.000 1.843 825 C HN 0.807 nan 8.230 nan 0.000 0.493 826 T N 2.539 117.123 114.554 0.050 0.000 2.912 826 T HA 0.885 5.235 4.350 -0.000 0.000 0.288 826 T C -0.351 174.181 174.700 -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 -1.187 176.174 177.584 -0.372 0.000 1.050 827 A CA -0.740 50.916 52.037 -0.635 0.000 0.724 827 A CB 1.415 19.644 19.000 -1.285 0.000 1.248 827 A HN 0.889 nan 8.150 nan 0.000 0.424 828 D N 0.691 120.924 120.400 -0.277 0.000 2.661 828 D HA 0.524 5.164 4.640 -0.000 0.000 0.228 828 D C -1.149 175.067 176.300 -0.140 0.000 1.183 828 D CA -0.009 53.888 54.000 -0.171 0.000 0.844 828 D CB 2.474 43.202 40.800 -0.119 0.000 1.555 828 D HN 0.436 nan 8.370 nan 0.000 0.453 829 T N 1.434 115.930 114.554 -0.096 0.000 2.772 829 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 829 T C 0.171 174.843 174.700 -0.046 0.000 0.994 829 T CA -0.579 61.482 62.100 -0.065 0.000 0.951 829 T CB 0.994 69.838 68.868 -0.040 0.000 0.933 829 T HN 0.047 nan 8.240 nan 0.000 0.447 830 L N 1.674 122.871 121.223 -0.043 0.000 2.440 830 L HA 0.704 5.044 4.340 -0.000 0.000 0.262 830 L C 1.732 178.591 176.870 -0.019 0.000 1.072 830 L CA -0.411 54.411 54.840 -0.031 0.000 0.798 830 L CB 0.154 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 -0.664 122.149 122.820 -0.013 0.000 2.016 831 A HA -0.051 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 1.475 53.508 52.037 -0.005 0.000 0.662 831 A CB -0.635 18.364 19.000 -0.002 0.000 0.812 831 A HN 0.853 nan 8.150 nan 0.000 0.450 832 D N -1.742 118.653 120.400 -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 0.591 41.388 40.800 -0.005 0.000 0.990 832 D HN 0.465 nan 8.370 nan 0.000 0.505 833 A N -0.358 122.447 122.820 -0.026 0.000 2.467 833 A HA 0.598 4.918 4.320 -0.000 0.000 0.301 833 A C -1.760 175.788 177.584 -0.060 0.000 1.126 833 A CA -0.766 51.245 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 -0.839 175.171 176.094 -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 33.078 31.823 -0.139 0.000 0.992 834 V HN 0.844 nan 8.190 nan 0.000 0.449 835 L N 5.931 127.063 121.223 -0.152 0.000 2.376 835 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 835 L C -0.913 175.835 176.870 -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 43.399 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 0.514 4.683 4.170 -0.000 0.000 0.294 836 I C -0.162 175.936 176.117 -0.031 0.000 1.005 836 I CA -0.372 60.771 61.300 -0.261 0.000 1.113 836 I CB 1.841 39.484 38.000 -0.594 0.000 1.289 836 I HN 0.527 nan 8.210 nan 0.000 0.436 837 T N 4.182 118.713 114.554 -0.039 0.000 2.881 837 T HA 0.634 4.984 4.350 -0.000 0.000 0.290 837 T C -0.081 174.659 174.700 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 -0.226 114.408 114.554 0.133 0.000 2.906 838 T HA 0.900 5.249 4.350 -0.000 0.000 0.295 838 T C -1.158 173.591 174.700 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 71.045 68.868 0.209 0.000 1.136 838 T HN 0.770 nan 8.240 nan 0.000 0.498 839 A N 1.479 124.265 122.820 -0.056 0.000 2.459 839 A HA 0.758 5.077 4.320 -0.000 0.000 0.296 839 A C -1.454 176.041 177.584 -0.148 0.000 1.039 839 A CA -0.779 51.273 52.037 0.025 0.000 0.698 839 A CB 0.840 19.857 19.000 0.029 0.000 1.261 839 A HN 1.000 nan 8.150 nan 0.000 0.405 840 H N 0.106 119.233 119.070 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 0.203 56.229 56.048 -0.038 0.000 1.154 840 H CB 2.153 31.784 29.762 -0.219 0.000 1.765 840 H HN 1.004 nan 8.280 nan 0.000 0.549 841 A N 1.568 124.417 122.820 0.048 0.000 2.371 841 A HA 0.447 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 1.221 20.283 19.000 0.103 0.000 1.239 841 A HN 0.588 nan 8.150 nan 0.000 0.435 842 W N 2.046 123.455 121.300 0.181 0.000 2.349 842 W HA 0.431 5.090 4.660 -0.000 0.000 0.309 842 W C -0.349 176.187 176.519 0.029 0.000 1.083 842 W CA -0.171 57.272 57.345 0.163 0.000 1.224 842 W CB 1.654 31.273 29.460 0.266 0.000 1.256 842 W HN 0.776 nan 8.180 nan 0.000 0.461 843 Q N 1.661 121.597 119.800 0.226 0.000 2.458 843 Q HA 0.463 4.803 4.340 -0.000 0.000 0.282 843 Q C -0.946 175.191 176.000 0.228 0.000 1.106 843 Q CA -0.944 54.951 55.803 0.154 0.000 0.814 843 Q CB 3.549 32.338 28.738 0.086 0.000 1.425 843 Q HN 0.410 nan 8.270 nan 0.000 0.437 844 H N 1.071 120.173 119.070 0.053 0.000 3.224 844 H HA 0.071 4.627 4.556 -0.000 0.000 0.331 844 H C -1.009 174.348 175.328 0.049 0.000 1.002 844 H CA -0.062 56.027 56.048 0.068 0.000 1.473 844 H CB 1.028 30.840 29.762 0.085 0.000 1.830 844 H HN 0.887 nan 8.280 nan 0.000 0.485 845 Q N 3.269 122.821 119.800 -0.413 0.000 2.453 845 Q HA -0.259 4.081 4.340 -0.000 0.000 0.294 845 Q C 0.971 176.901 176.000 -0.116 0.000 1.295 845 Q CA 1.253 56.869 55.803 -0.311 0.000 0.853 845 Q CB -1.314 27.163 28.738 -0.436 0.000 1.193 845 Q HN 1.194 nan 8.270 nan 0.000 0.461 846 G N -0.393 108.374 108.800 -0.055 0.000 2.268 846 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.240 846 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.240 846 G C 0.073 174.974 174.900 0.003 0.000 1.010 846 G CA 0.364 45.453 45.100 -0.019 0.000 0.618 846 G HN 0.351 nan 8.290 nan 0.000 0.516 847 K N 1.460 121.869 120.400 0.014 0.000 2.156 847 K HA 0.601 4.921 4.320 -0.000 0.000 0.271 847 K C -0.286 176.325 176.600 0.019 0.000 0.995 847 K CA -0.057 56.243 56.287 0.022 0.000 0.890 847 K CB 0.794 33.313 32.500 0.032 0.000 1.073 847 K HN 0.016 nan 8.250 nan 0.000 0.454 848 T N 5.834 120.390 114.554 0.003 0.000 2.727 848 T HA 0.197 4.547 4.350 -0.000 0.000 0.298 848 T C 1.173 175.813 174.700 -0.100 0.000 0.942 848 T CA -0.412 61.685 62.100 -0.004 0.000 0.997 848 T CB 0.363 69.247 68.868 0.027 0.000 0.917 848 T HN 0.536 nan 8.240 nan 0.000 0.487 849 L N 2.344 123.404 121.223 -0.273 0.000 2.102 849 L HA 0.314 4.654 4.340 -0.000 0.000 0.202 849 L C -0.012 176.351 176.870 -0.845 0.000 1.076 849 L CA 0.967 55.369 54.840 -0.730 0.000 0.761 849 L CB -0.030 41.190 42.059 -1.399 0.000 0.921 849 L HN 0.514 nan 8.230 nan 0.000 0.444 850 F N -1.387 118.524 119.950 -0.064 0.000 2.626 850 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 850 F C -0.508 175.400 175.800 0.179 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 1.363 122.177 120.570 0.407 0.000 2.533 851 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 851 I C -0.963 175.424 176.117 0.450 0.000 1.056 851 I CA -0.578 60.981 61.300 0.433 0.000 1.057 851 I CB 2.269 40.433 38.000 0.272 0.000 1.240 851 I HN 0.562 nan 8.210 nan 0.000 0.423 852 S N 6.717 122.777 115.700 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 -0.676 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 3.563 124.228 120.500 0.276 0.000 2.437 853 R HA 0.554 4.894 4.340 -0.000 0.000 0.310 853 R C -0.643 175.731 176.300 0.124 0.000 0.955 853 R CA -0.769 55.450 56.100 0.198 0.000 0.851 853 R CB 1.854 32.242 30.300 0.148 0.000 1.161 853 R HN 0.561 nan 8.270 nan 0.000 0.446 854 K N 0.674 121.138 120.400 0.106 0.000 2.378 854 K HA 0.538 4.857 4.320 -0.000 0.000 0.244 854 K C -0.662 175.908 176.600 -0.051 0.000 1.039 854 K CA -0.955 55.307 56.287 -0.040 0.000 0.863 854 K CB 2.392 34.806 32.500 -0.143 0.000 1.326 854 K HN 0.615 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 4.881 4.350 -0.000 0.000 0.305 855 T C -1.456 173.131 174.700 -0.188 0.000 1.064 855 T CA -0.772 61.276 62.100 -0.087 0.000 1.008 855 T CB 0.418 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 1.124 121.408 120.300 -0.028 0.000 2.350 856 Y HA 0.717 5.267 4.550 -0.000 0.000 0.338 856 Y C 0.395 176.241 175.900 -0.090 0.000 0.961 856 Y CA -1.114 56.978 58.100 -0.014 0.000 1.100 856 Y CB 2.091 40.570 38.460 0.032 0.000 1.179 856 Y HN 0.817 nan 8.280 nan 0.000 0.454 857 R N 4.080 124.619 120.500 0.066 0.000 2.451 857 R HA 0.677 5.017 4.340 -0.000 0.000 0.307 857 R C -1.994 174.261 176.300 -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 5.237 125.708 120.570 -0.165 0.000 2.330 858 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 858 I C -0.257 175.757 176.117 -0.173 0.000 1.001 858 I CA -0.787 60.349 61.300 -0.274 0.000 1.193 858 I CB 1.377 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 4.438 124.770 120.400 -0.113 0.000 2.549 859 D HA 0.230 4.870 4.640 -0.000 0.000 0.270 859 D C 1.261 177.542 176.300 -0.031 0.000 1.181 859 D CA -0.791 53.175 54.000 -0.057 0.000 1.070 859 D CB 0.875 41.658 40.800 -0.028 0.000 1.154 859 D HN 0.475 nan 8.370 nan 0.000 0.602 860 G N -1.373 107.419 108.800 -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 1.747 176.384 174.600 0.063 0.000 0.966 861 S CA 0.881 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 0.651 109.507 108.800 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 0.046 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 -0.495 119.356 119.800 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 -0.401 55.454 55.803 0.087 0.000 0.919 863 Q CB 1.598 30.383 28.738 0.077 0.000 1.237 863 Q HN 0.417 nan 8.270 nan 0.000 0.434 864 M N 2.132 121.773 119.600 0.069 0.000 2.114 864 M HA 0.556 5.036 4.480 -0.000 0.000 0.332 864 M C -1.500 174.887 176.300 0.146 0.000 1.014 864 M CA -0.512 54.808 55.300 0.034 0.000 0.956 864 M CB 1.087 33.703 32.600 0.027 0.000 1.551 864 M HN 0.710 nan 8.290 nan 0.000 0.427 865 A N 6.830 129.709 122.820 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 0.510 19.551 19.000 0.068 0.000 1.179 865 A HN 0.917 nan 8.150 nan 0.000 0.504 866 I N 1.537 122.135 120.570 0.048 0.000 2.474 866 I HA 0.433 4.603 4.170 -0.000 0.000 0.294 866 I C -0.133 175.888 176.117 -0.160 0.000 1.005 866 I CA -0.304 60.936 61.300 -0.099 0.000 1.113 866 I CB 2.459 40.425 38.000 -0.056 0.000 1.289 866 I HN 0.507 nan 8.210 nan 0.000 0.436 867 T N 5.224 119.632 114.554 -0.244 0.000 2.841 867 T HA 0.544 4.894 4.350 -0.000 0.000 0.285 867 T C -0.636 173.861 174.700 -0.338 0.000 0.991 867 T CA -0.400 61.549 62.100 -0.251 0.000 0.966 867 T CB 1.732 70.546 68.868 -0.091 0.000 0.962 867 T HN 0.217 nan 8.240 nan 0.000 0.438 868 V N 4.013 123.599 119.914 -0.547 0.000 2.540 868 V HA 0.545 4.665 4.120 -0.000 0.000 0.302 868 V C -0.692 175.229 176.094 -0.288 0.000 1.035 868 V CA -0.907 61.103 62.300 -0.483 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 3.300 123.702 120.400 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 -0.105 53.996 54.000 0.168 0.000 0.861 869 D CB 2.782 43.706 40.800 0.207 0.000 1.207 869 D HN 0.269 nan 8.370 nan 0.000 0.543 870 V N 2.192 122.270 119.914 0.273 0.000 2.628 870 V HA 0.352 4.471 4.120 -0.000 0.000 0.306 870 V C 0.045 176.289 176.094 0.251 0.000 1.045 870 V CA -0.698 61.775 62.300 0.289 0.000 0.905 870 V CB 2.512 34.538 31.823 0.339 0.000 0.997 870 V HN 0.374 nan 8.190 nan 0.000 0.436 871 E N 2.174 122.509 120.200 0.226 0.000 2.222 871 E HA 0.635 4.984 4.350 -0.000 0.000 0.267 871 E C -1.611 175.115 176.600 0.209 0.000 0.884 871 E CA -0.621 55.890 56.400 0.185 0.000 0.764 871 E CB 2.657 32.448 29.700 0.151 0.000 1.169 871 E HN 0.412 nan 8.360 nan 0.000 0.413 872 V N 2.078 122.115 119.914 0.207 0.000 2.409 872 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 872 V C 0.087 176.277 176.094 0.161 0.000 1.020 872 V CA -0.932 61.513 62.300 0.242 0.000 0.848 872 V CB 1.445 33.443 31.823 0.292 0.000 0.990 872 V HN 0.838 nan 8.190 nan 0.000 0.430 873 A N 3.526 126.402 122.820 0.092 0.000 2.548 873 A HA 0.248 4.568 4.320 -0.000 0.000 0.247 873 A C 1.649 179.301 177.584 0.114 0.000 1.067 873 A CA 0.654 52.730 52.037 0.066 0.000 0.757 873 A CB 0.220 19.224 19.000 0.007 0.000 0.996 873 A HN 1.377 nan 8.150 nan 0.000 0.504 874 S N 1.398 117.162 115.700 0.107 0.000 2.442 874 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 874 S C 0.848 175.526 174.600 0.130 0.000 1.007 874 S CA 1.351 59.632 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 0.366 176.705 176.300 0.065 0.000 1.112 875 D CA -0.073 53.965 54.000 0.064 0.000 0.834 875 D CB -0.262 40.562 40.800 0.040 0.000 0.953 875 D HN 0.282 nan 8.370 nan 0.000 0.505 876 T N 1.275 115.895 114.554 0.110 0.000 2.902 876 T HA 0.422 4.772 4.350 -0.000 0.000 0.283 876 T C -2.650 172.164 174.700 0.190 0.000 1.009 876 T CA -1.990 60.204 62.100 0.157 0.000 1.051 876 T CB 1.320 70.290 68.868 0.171 0.000 0.999 876 T HN -0.170 nan 8.240 nan 0.000 0.474 877 P HA 0.117 nan 4.420 nan 0.000 0.265 877 P C -0.477 177.111 177.300 0.481 0.000 1.193 877 P CA -0.130 63.061 63.100 0.152 0.000 0.765 877 P CB 0.142 31.922 31.700 0.134 0.000 0.823 878 H N 3.211 122.642 119.070 0.600 0.000 3.001 878 H HA 0.080 4.635 4.556 -0.000 0.000 0.334 878 H C -1.838 173.846 175.328 0.593 0.000 1.034 878 H CA -1.523 54.828 56.048 0.505 0.000 1.420 878 H CB -0.876 29.126 29.762 0.399 0.000 1.405 878 H HN 0.333 nan 8.280 nan 0.000 0.593 879 P HA 0.094 nan 4.420 nan 0.000 0.274 879 P C 0.334 177.552 177.300 -0.137 0.000 1.231 879 P CA -0.331 62.836 63.100 0.111 0.000 0.790 879 P CB 0.833 32.466 31.700 -0.111 0.000 0.951 880 A N 3.267 125.762 122.820 -0.541 0.000 1.969 880 A HA -0.087 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 1.414 53.095 52.037 -0.594 0.000 0.635 880 A CB -0.540 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 -0.545 0.000 2.728 881 R HA 0.717 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 0.667 30.607 30.300 -0.600 0.000 1.259 881 R HN 0.005 nan 8.270 nan 0.000 0.468 882 I N 1.272 121.638 120.570 -0.340 0.000 2.517 882 I HA 0.632 4.801 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 -0.374 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 5.818 114.326 108.800 -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 53.587 54.840 -0.188 0.000 0.820 884 L CB 2.533 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 0.535 119.147 118.700 -0.147 0.000 2.610 885 N HA 0.736 5.476 4.740 -0.000 0.000 0.264 885 N C -1.236 174.268 175.510 -0.009 0.000 1.348 885 N CA -0.599 52.405 53.050 -0.075 0.000 0.819 885 N CB 2.253 40.725 38.487 -0.026 0.000 1.521 885 N HN 0.864 nan 8.380 nan 0.000 0.497 886 C N -1.615 117.706 119.300 0.035 0.000 3.292 886 C HA 0.573 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 58.112 59.018 -0.045 0.000 1.232 886 C CB 0.935 28.655 27.740 -0.034 0.000 1.517 886 C HN 0.867 nan 8.230 nan 0.000 0.470 887 Q N 1.450 120.890 119.800 -0.601 0.000 2.368 887 Q HA 0.655 4.995 4.340 -0.000 0.000 0.256 887 Q C -0.985 174.724 176.000 -0.486 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 -1.574 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 -0.251 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 1.976 124.747 122.820 -0.083 0.000 1.930 889 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 889 A C 1.174 178.731 177.584 -0.044 0.000 1.175 889 A CA 0.763 52.748 52.037 -0.087 0.000 0.627 889 A CB -0.288 18.657 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 4.773 4.340 -0.000 0.000 0.241 890 Q C -1.127 174.897 176.000 0.040 0.000 1.008 890 Q CA 0.370 56.177 55.803 0.006 0.000 0.901 890 Q CB 0.841 29.604 28.738 0.042 0.000 1.259 890 Q HN 0.167 nan 8.270 nan 0.000 0.489 891 V N 2.557 122.458 119.914 -0.021 0.000 2.567 891 V HA 0.771 4.891 4.120 -0.000 0.000 0.298 891 V C -0.845 175.198 176.094 -0.084 0.000 1.047 891 V CA -0.171 62.144 62.300 0.025 0.000 0.880 891 V CB 1.160 32.996 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 0.535 178.141 177.584 0.035 0.000 1.163 892 A CA -0.311 51.600 52.037 -0.211 0.000 0.860 892 A CB 1.566 20.219 19.000 -0.580 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 0.094 4.443 4.350 -0.000 0.000 0.190 893 E C 0.394 177.075 176.600 0.135 0.000 0.971 893 E CA 1.071 57.516 56.400 0.075 0.000 0.821 893 E CB 0.171 29.892 29.700 0.036 0.000 0.777 893 E HN 0.512 nan 8.360 nan 0.000 0.460 894 R N -0.574 120.021 120.500 0.158 0.000 2.854 894 R HA 0.591 4.931 4.340 -0.000 0.000 0.271 894 R C -1.099 175.395 176.300 0.324 0.000 0.996 894 R CA -0.928 55.294 56.100 0.204 0.000 0.961 894 R CB 2.331 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 -0.431 175.938 176.094 0.460 0.000 1.034 895 V CA -0.909 61.624 62.300 0.389 0.000 0.865 895 V CB 1.816 33.821 31.823 0.303 0.000 0.995 895 V HN 0.696 nan 8.190 nan 0.000 0.424 896 N N 4.135 123.092 118.700 0.428 0.000 2.295 896 N HA 0.555 5.295 4.740 -0.000 0.000 0.293 896 N C -1.501 174.281 175.510 0.453 0.000 1.040 896 N CA -0.422 52.846 53.050 0.363 0.000 0.840 896 N CB 2.947 41.541 38.487 0.178 0.000 1.468 896 N HN 0.826 nan 8.380 nan 0.000 0.478 897 W N 3.078 124.434 121.300 0.094 0.000 3.137 897 W HA 0.590 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 0.702 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 3.975 125.203 121.223 0.008 0.000 2.318 898 L HA 0.933 5.273 4.340 -0.000 0.000 0.277 898 L C -0.037 176.764 176.870 -0.116 0.000 1.008 898 L CA 0.367 55.038 54.840 -0.282 0.000 0.846 898 L CB 0.836 42.782 42.059 -0.188 0.000 1.220 898 L HN 1.046 nan 8.230 nan 0.000 0.423 899 G N 3.720 112.355 108.800 -0.276 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 0.103 0.000 0.889 899 G HN 0.442 nan 8.290 nan 0.000 0.486 900 L N 1.036 122.477 121.223 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 1.151 nan 8.230 nan 0.000 0.454 901 G N 2.706 111.392 108.800 -0.190 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 0.497 62.961 63.100 -1.061 0.000 0.794 902 P CB 0.571 31.792 31.700 -0.797 0.000 0.937 903 Q N 0.571 120.168 119.800 -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 -0.531 55.150 55.803 -0.204 0.000 0.936 903 Q CB 0.663 29.310 28.738 -0.152 0.000 1.204 903 Q HN 0.121 nan 8.270 nan 0.000 0.524 904 E N 1.456 121.551 120.200 -0.176 0.000 2.558 904 E HA -0.123 4.227 4.350 -0.000 0.000 0.255 904 E C -1.176 175.343 176.600 -0.134 0.000 0.968 904 E CA 0.223 56.512 56.400 -0.185 0.000 0.939 904 E CB 0.186 29.844 29.700 -0.070 0.000 0.921 904 E HN 0.533 nan 8.360 nan 0.000 0.477 905 N N 3.050 121.594 118.700 -0.260 0.000 2.264 905 N HA 0.335 5.075 4.740 -0.000 0.000 0.288 905 N C -1.805 173.478 175.510 -0.378 0.000 1.094 905 N CA -0.680 52.267 53.050 -0.172 0.000 0.817 905 N CB 0.803 39.208 38.487 -0.138 0.000 1.604 905 N HN 0.240 nan 8.380 nan 0.000 0.473 906 Y N 0.050 120.249 120.300 -0.167 0.000 2.630 906 Y HA 0.497 5.047 4.550 -0.000 0.000 0.337 906 Y C -1.598 174.217 175.900 -0.142 0.000 1.051 906 Y CA -2.103 55.882 58.100 -0.192 0.000 1.121 906 Y CB 1.793 40.134 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 0.267 177.458 177.300 -0.181 0.000 1.150 907 P CA 2.006 65.115 63.100 0.016 0.000 0.843 907 P CB 0.208 32.003 31.700 0.158 0.000 0.787 908 D N -2.269 117.846 120.400 -0.475 0.000 2.368 908 D HA 0.036 4.676 4.640 -0.000 0.000 0.218 908 D C 0.611 176.779 176.300 -0.221 0.000 1.112 908 D CA -0.027 53.533 54.000 -0.733 0.000 0.834 908 D CB -0.178 39.880 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 0.200 4.540 4.340 -0.000 0.000 0.252 909 R C -0.645 175.683 176.300 0.046 0.000 1.628 909 R CA -0.160 55.953 56.100 0.021 0.000 1.622 909 R CB 0.090 30.404 30.300 0.025 0.000 1.418 909 R HN 0.101 nan 8.270 nan 0.000 0.697 910 L N -1.743 119.517 121.223 0.062 0.000 3.521 910 L HA 0.326 4.666 4.340 -0.000 0.000 0.323 910 L C 1.278 178.206 176.870 0.098 0.000 1.268 910 L CA 0.082 54.957 54.840 0.059 0.000 1.064 910 L CB 0.191 42.267 42.059 0.029 0.000 1.455 910 L HN 0.094 nan 8.230 nan 0.000 0.622 911 T N -2.593 112.045 114.554 0.141 0.000 2.915 911 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 911 T C 1.736 176.527 174.700 0.152 0.000 1.071 911 T CA 1.296 63.506 62.100 0.182 0.000 1.132 911 T CB -0.275 68.738 68.868 0.241 0.000 0.878 911 T HN 0.400 nan 8.240 nan 0.000 0.479 912 A N 1.391 124.303 122.820 0.154 0.000 2.119 912 A HA 0.663 4.983 4.320 -0.000 0.000 0.216 912 A C 1.685 179.375 177.584 0.176 0.000 1.152 912 A CA 0.542 52.637 52.037 0.096 0.000 0.708 912 A CB -0.899 18.253 19.000 0.253 0.000 0.805 912 A HN 0.824 nan 8.150 nan 0.000 0.460 916 D N 2.939 122.736 120.400 -1.004 0.000 3.145 916 D HA 0.344 4.984 4.640 -0.000 0.000 0.345 916 D C -1.491 173.904 176.300 -1.509 0.000 1.391 916 D CA -0.670 52.582 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 0.547 120.206 120.500 -1.402 0.000 2.229 917 R HA 0.475 4.814 4.340 -0.000 0.000 0.332 917 R C -1.262 174.231 176.300 -1.346 0.000 0.989 917 R CA -0.451 54.966 56.100 -1.139 0.000 0.842 917 R CB 0.484 30.390 30.300 -0.657 0.000 1.119 917 R HN 0.241 nan 8.270 nan 0.000 0.456 918 W N 2.582 123.333 121.300 -0.915 0.000 2.639 918 W HA 0.417 5.077 4.660 -0.000 0.000 0.347 918 W C -0.408 175.712 176.519 -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 29.915 29.460 -1.743 0.000 1.393 918 W HN 0.314 nan 8.180 nan 0.000 0.557 919 D N 2.671 123.014 120.400 -0.096 0.000 2.602 919 D HA 0.467 5.107 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 -0.108 53.935 54.000 0.072 0.000 0.952 919 D CB 1.092 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 2.561 123.953 121.223 0.280 0.000 2.341 920 L HA 0.567 4.907 4.340 -0.000 0.000 0.254 920 L C -2.516 174.479 176.870 0.209 0.000 1.040 920 L CA -2.202 52.778 54.840 0.233 0.000 0.837 920 L CB 2.577 44.808 42.059 0.286 0.000 1.425 920 L HN 0.136 nan 8.230 nan 0.000 0.414 921 P HA 0.146 nan 4.420 nan 0.000 0.282 921 P C 0.456 177.839 177.300 0.139 0.000 1.249 921 P CA -0.466 62.713 63.100 0.132 0.000 0.806 921 P CB 1.099 32.856 31.700 0.094 0.000 0.984 922 L N 3.469 124.779 121.223 0.144 0.000 2.089 922 L HA -0.281 4.059 4.340 -0.000 0.000 0.213 922 L C 2.093 179.020 176.870 0.096 0.000 1.079 922 L CA 2.676 57.592 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 4.282 4.470 -0.000 0.000 0.232 923 S C 1.597 176.269 174.600 0.119 0.000 1.025 923 S CA 1.220 59.484 58.200 0.107 0.000 0.993 923 S CB -0.783 62.470 63.200 0.087 0.000 0.808 923 S HN 0.523 nan 8.310 nan 0.000 0.478 924 D N 1.245 121.697 120.400 0.086 0.000 2.348 924 D HA 0.094 4.734 4.640 -0.000 0.000 0.216 924 D C 1.199 177.513 176.300 0.023 0.000 0.970 924 D CA 0.605 54.637 54.000 0.053 0.000 0.889 924 D CB -0.163 40.673 40.800 0.060 0.000 0.912 924 D HN 0.411 nan 8.370 nan 0.000 0.524 925 M N -0.291 119.333 119.600 0.039 0.000 2.505 925 M HA 0.086 4.566 4.480 -0.000 0.000 0.230 925 M C -0.163 176.157 176.300 0.033 0.000 1.153 925 M CA -0.053 55.228 55.300 -0.032 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 -0.038 120.225 120.300 -0.062 0.000 2.376 926 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 926 Y C -0.861 174.975 175.900 -0.108 0.000 0.965 926 Y CA -0.689 57.383 58.100 -0.046 0.000 1.078 926 Y CB 1.462 39.956 38.460 0.057 0.000 1.193 926 Y HN -0.097 nan 8.280 nan 0.000 0.452 927 T N 8.879 122.925 114.554 -0.848 0.000 2.788 927 T HA 0.279 4.629 4.350 -0.000 0.000 0.296 927 T C -2.706 171.198 174.700 -1.326 0.000 1.009 927 T CA -1.515 60.009 62.100 -0.961 0.000 0.949 927 T CB 1.057 69.462 68.868 -0.772 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 -0.662 176.455 177.300 -0.305 0.000 1.768 928 P CA -0.382 62.288 63.100 -0.716 0.000 0.943 928 P CB -0.770 30.658 31.700 -0.453 0.000 1.936 929 Y N -0.319 119.884 120.300 -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 57.569 58.100 -0.035 0.000 1.419 929 Y CB 0.603 38.984 38.460 -0.131 0.000 1.250 929 Y HN -0.108 nan 8.280 nan 0.000 0.540 930 V N 3.755 123.871 119.914 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 1.599 64.080 62.300 0.301 0.000 1.049 930 V CB -0.574 31.468 31.823 0.366 0.000 0.651 930 V HN 0.603 nan 8.190 nan 0.000 0.450 931 F N 3.235 123.218 119.950 0.055 0.000 2.361 931 F HA 0.526 5.053 4.527 -0.000 0.000 0.364 931 F C -2.418 173.373 175.800 -0.015 0.000 1.120 931 F CA -3.283 54.695 58.000 -0.037 0.000 1.102 931 F CB 0.925 39.790 39.000 -0.224 0.000 1.183 931 F HN -0.013 nan 8.300 nan 0.000 0.476 932 P HA 0.313 nan 4.420 nan 0.000 0.275 932 P C -1.117 175.895 177.300 -0.481 0.000 1.228 932 P CA -0.090 62.767 63.100 -0.405 0.000 0.786 932 P CB 1.486 32.989 31.700 -0.328 0.000 0.927 933 S N -0.406 115.191 115.700 -0.171 0.000 2.703 933 S HA 0.419 4.889 4.470 -0.000 0.000 0.273 933 S C -0.828 173.760 174.600 -0.019 0.000 1.178 933 S CA -0.934 57.208 58.200 -0.097 0.000 0.838 933 S CB 0.299 63.470 63.200 -0.049 0.000 1.178 933 S HN 0.343 nan 8.310 nan 0.000 0.494 934 E N 1.286 121.486 120.200 -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 0.041 0.000 0.937 934 E CB -0.403 29.344 29.700 0.078 0.000 0.923 934 E HN 0.780 nan 8.360 nan 0.000 0.468 935 N N 1.603 120.378 118.700 0.125 0.000 3.116 935 N HA 0.534 5.274 4.740 -0.000 0.000 0.244 935 N C 0.298 175.860 175.510 0.086 0.000 1.485 935 N CA -0.617 52.542 53.050 0.181 0.000 0.884 935 N CB 0.795 39.371 38.487 0.148 0.000 1.415 935 N HN 0.645 nan 8.380 nan 0.000 0.524 936 G N -1.437 107.378 108.800 0.025 0.000 2.179 936 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.260 936 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.260 936 G C -0.168 174.493 174.900 -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 1.299 122.215 121.223 -0.512 0.000 2.499 937 L HA 0.488 4.828 4.340 -0.000 0.000 0.281 937 L C 0.888 177.197 176.870 -0.936 0.000 1.234 937 L CA 0.497 54.797 54.840 -0.900 0.000 0.839 937 L CB 0.367 41.576 42.059 -1.417 0.000 1.104 937 L HN 0.355 nan 8.230 nan 0.000 0.500 938 R N 3.600 123.463 120.500 -1.061 0.000 2.575 938 R HA 0.478 4.818 4.340 -0.000 0.000 0.293 938 R C -1.192 174.743 176.300 -0.608 0.000 0.983 938 R CA -0.726 54.866 56.100 -0.847 0.000 0.887 938 R CB 0.876 30.642 30.300 -0.891 0.000 1.184 938 R HN 0.549 nan 8.270 nan 0.000 0.445 939 C N -0.009 119.082 119.300 -0.349 0.000 2.354 939 C HA 0.643 5.103 4.460 -0.000 0.000 0.381 939 C C 1.353 176.315 174.990 -0.047 0.000 1.240 939 C CA 0.359 59.257 59.018 -0.199 0.000 2.089 939 C CB 1.145 28.791 27.740 -0.157 0.000 2.234 939 C HN 1.074 nan 8.230 nan 0.000 0.544 940 G N 2.170 110.953 108.800 -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 -0.339 114.139 114.554 -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 -0.464 0.000 0.973 941 T CA -0.526 61.464 62.100 -0.185 0.000 1.035 941 T CB 1.350 70.103 68.868 -0.191 0.000 0.932 941 T HN 0.385 nan 8.240 nan 0.000 0.469 942 R N 1.334 121.775 120.500 -0.098 0.000 2.279 942 R HA 0.261 4.601 4.340 -0.000 0.000 0.195 942 R C 0.527 176.877 176.300 0.082 0.000 0.905 942 R CA 0.171 56.261 56.100 -0.016 0.000 1.044 942 R CB 0.841 31.246 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 -0.616 55.919 56.400 0.225 0.000 0.770 943 E CB 1.825 31.624 29.700 0.165 0.000 1.225 943 E HN -0.098 nan 8.360 nan 0.000 0.417 944 L N 4.129 125.551 121.223 0.332 0.000 2.410 944 L HA 0.601 4.940 4.340 -0.000 0.000 0.270 944 L C -1.866 175.228 176.870 0.373 0.000 0.983 944 L CA -0.377 54.613 54.840 0.249 0.000 0.822 944 L CB 1.795 43.840 42.059 -0.023 0.000 1.285 944 L HN 0.465 nan 8.230 nan 0.000 0.409 945 N N 4.488 123.373 118.700 0.310 0.000 2.346 945 N HA 0.406 5.146 4.740 -0.000 0.000 0.289 945 N C -2.033 173.721 175.510 0.407 0.000 1.027 945 N CA -0.282 52.956 53.050 0.314 0.000 0.864 945 N CB 2.291 40.897 38.487 0.198 0.000 1.370 945 N HN 0.615 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 0.470 176.484 175.900 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 39.204 38.460 0.297 0.000 1.203 946 Y HN 0.868 nan 8.280 nan 0.000 0.427 947 G N 6.397 115.080 108.800 -0.196 0.000 2.528 947 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.262 947 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.262 947 G C -1.908 172.904 174.900 -0.148 0.000 1.200 947 G CA -0.063 44.890 45.100 -0.245 0.000 0.951 947 G HN 0.552 nan 8.290 nan 0.000 0.566 948 P HA 0.130 nan 4.420 nan 0.000 0.236 948 P C 0.515 177.587 177.300 -0.381 0.000 1.177 948 P CA 0.967 63.875 63.100 -0.319 0.000 0.773 948 P CB -0.052 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 5.025 4.556 -0.000 0.000 0.351 949 H C 0.420 175.514 175.328 -0.390 0.000 1.151 949 H CA -0.170 55.703 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 2.728 122.280 119.800 -0.413 0.000 2.284 950 Q HA 0.221 4.561 4.340 -0.000 0.000 0.269 950 Q C -1.900 173.884 176.000 -0.360 0.000 1.026 950 Q CA -0.770 54.893 55.803 -0.233 0.000 0.831 950 Q CB 1.779 30.511 28.738 -0.010 0.000 1.322 950 Q HN 0.633 nan 8.270 nan 0.000 0.419 951 W N 3.543 124.847 121.300 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 2.237 31.512 29.460 -0.307 0.000 1.419 951 W HN 0.614 nan 8.180 nan 0.000 0.502 952 R N 0.739 121.494 120.500 0.425 0.000 2.744 952 R HA 0.861 5.201 4.340 -0.000 0.000 0.279 952 R C 0.130 176.707 176.300 0.460 0.000 0.977 952 R CA -0.586 55.770 56.100 0.427 0.000 0.906 952 R CB 2.364 32.830 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 4.064 3.960 -0.000 0.000 0.182 953 G HA3 0.105 4.064 3.960 -0.000 0.000 0.182 953 G C -1.773 173.278 174.900 0.251 0.000 1.190 953 G CA -0.530 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 0.365 41.204 40.800 0.065 0.000 1.261 954 D HN 0.579 nan 8.370 nan 0.000 0.544 955 F N -0.051 119.895 119.950 -0.007 0.000 3.016 955 F HA 0.657 5.184 4.527 -0.000 0.000 0.324 955 F C -1.385 174.374 175.800 -0.068 0.000 1.196 955 F CA -1.097 56.834 58.000 -0.116 0.000 0.929 955 F CB 0.670 39.587 39.000 -0.139 0.000 1.440 955 F HN -0.095 nan 8.300 nan 0.000 0.505 956 Q N 1.434 121.322 119.800 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 -0.515 55.294 55.803 0.009 0.000 0.824 956 Q CB 2.805 31.422 28.738 -0.202 0.000 1.367 956 Q HN 0.880 nan 8.270 nan 0.000 0.443 957 F N -1.180 118.658 119.950 -0.186 0.000 2.711 957 F HA 0.777 5.304 4.527 -0.000 0.000 0.313 957 F C -1.607 173.984 175.800 -0.348 0.000 1.141 957 F CA -1.084 56.766 58.000 -0.251 0.000 0.941 957 F CB 1.618 40.482 39.000 -0.226 0.000 1.349 957 F HN 0.577 nan 8.300 nan 0.000 0.464 958 N N 1.087 119.659 118.700 -0.212 0.000 2.329 958 N HA 0.693 5.433 4.740 -0.000 0.000 0.282 958 N C -2.189 173.296 175.510 -0.043 0.000 1.198 958 N CA -0.685 52.210 53.050 -0.258 0.000 0.790 958 N CB 2.505 40.832 38.487 -0.267 0.000 1.579 958 N HN 1.131 nan 8.380 nan 0.000 0.475 959 I N 0.624 121.155 120.570 -0.065 0.000 2.610 959 I HA 0.678 4.848 4.170 -0.000 0.000 0.289 959 I C -1.254 174.817 176.117 -0.076 0.000 1.163 959 I CA 0.072 61.312 61.300 -0.100 0.000 1.044 959 I CB 1.334 39.216 38.000 -0.196 0.000 1.251 959 I HN 1.068 nan 8.210 nan 0.000 0.424 960 S N 6.369 122.038 115.700 -0.052 0.000 2.714 960 S HA 0.519 4.988 4.470 -0.000 0.000 0.280 960 S C -0.350 174.184 174.600 -0.111 0.000 1.200 960 S CA -0.952 57.211 58.200 -0.061 0.000 0.900 960 S CB 1.533 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 -0.114 120.144 120.500 -0.403 0.000 2.427 961 R HA 0.287 4.627 4.340 -0.000 0.000 0.262 961 R C -0.978 174.971 176.300 -0.586 0.000 0.943 961 R CA 0.195 56.008 56.100 -0.479 0.000 1.081 961 R CB -0.540 29.348 30.300 -0.687 0.000 1.166 961 R HN 0.634 nan 8.270 nan 0.000 0.534 962 Y N 0.346 120.613 120.300 -0.054 0.000 2.409 962 Y HA 0.250 4.800 4.550 -0.000 0.000 0.343 962 Y C 0.784 176.430 175.900 -0.423 0.000 0.973 962 Y CA -1.171 56.803 58.100 -0.209 0.000 1.064 962 Y CB 1.477 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 1.555 116.905 115.700 -0.584 0.000 2.603 963 S HA 0.077 4.547 4.470 -0.000 0.000 0.268 963 S C 0.866 175.131 174.600 -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 63.642 63.200 -1.212 0.000 0.926 963 S HN 0.751 nan 8.310 nan 0.000 0.539 964 Q N 0.606 120.085 119.800 -0.534 0.000 2.135 964 Q HA -0.193 4.147 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 1.773 57.406 55.803 -0.283 0.000 0.856 964 Q CB -0.500 28.110 28.738 -0.215 0.000 0.902 964 Q HN 0.938 nan 8.270 nan 0.000 0.425 965 Q N 0.654 120.296 119.800 -0.264 0.000 2.079 965 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 965 Q C 2.044 177.947 176.000 -0.162 0.000 0.974 965 Q CA 1.323 57.024 55.803 -0.170 0.000 0.840 965 Q CB 0.027 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 2.373 178.257 176.000 -0.192 0.000 0.980 966 Q CA 1.302 56.998 55.803 -0.179 0.000 0.840 966 Q CB -0.092 28.522 28.738 -0.207 0.000 0.898 966 Q HN 0.464 nan 8.270 nan 0.000 0.424 967 L N 0.178 121.281 121.223 -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 1.399 56.112 54.840 -0.213 0.000 0.752 967 L CB -0.386 41.577 42.059 -0.159 0.000 0.891 967 L HN 0.417 nan 8.230 nan 0.000 0.432 968 M N -0.645 118.855 119.600 -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 56.758 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 -0.727 119.397 120.200 -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 0.154 56.501 56.400 -0.087 0.000 0.890 969 E CB 0.564 30.225 29.700 -0.065 0.000 0.918 969 E HN 0.317 nan 8.360 nan 0.000 0.496 970 T N 0.829 115.301 114.554 -0.137 0.000 2.744 970 T HA 0.071 4.421 4.350 -0.000 0.000 0.291 970 T C 1.129 175.728 174.700 -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 2.183 117.871 115.700 -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 0.098 0.000 0.927 971 S CB -0.213 63.188 63.200 0.335 0.000 0.774 971 S HN 0.746 nan 8.310 nan 0.000 0.524 972 H N 0.239 119.294 119.070 -0.026 0.000 2.851 972 H HA 0.515 5.071 4.556 -0.000 0.000 0.372 972 H C 0.944 176.236 175.328 -0.060 0.000 1.158 972 H CA -0.763 55.333 56.048 0.080 0.000 1.159 972 H CB 1.520 31.348 29.762 0.111 0.000 1.757 972 H HN 0.104 nan 8.280 nan 0.000 0.546 973 R N 1.348 121.956 120.500 0.181 0.000 2.105 973 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 973 R C 1.391 177.691 176.300 -0.001 0.000 1.135 973 R CA 1.934 58.068 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 1.588 120.660 119.070 0.003 0.000 2.489 974 H HA -0.023 4.532 4.556 -0.000 0.000 0.293 974 H C 1.540 176.786 175.328 -0.135 0.000 1.066 974 H CA 1.044 57.047 56.048 -0.075 0.000 1.305 974 H CB -0.246 29.458 29.762 -0.097 0.000 1.386 974 H HN 0.322 nan 8.280 nan 0.000 0.551 975 L N 0.900 121.690 121.223 -0.721 0.000 2.591 975 L HA 0.197 4.537 4.340 -0.000 0.000 0.228 975 L C 0.582 177.318 176.870 -0.223 0.000 1.133 975 L CA -0.104 54.447 54.840 -0.483 0.000 0.880 975 L CB -0.034 41.741 42.059 -0.474 0.000 1.033 975 L HN 0.048 nan 8.230 nan 0.000 0.450 976 L N 0.744 121.837 121.223 -0.217 0.000 2.395 976 L HA 0.218 4.557 4.340 -0.000 0.000 0.269 976 L C 0.268 177.131 176.870 -0.013 0.000 1.133 976 L CA -0.298 54.414 54.840 -0.214 0.000 0.812 976 L CB 0.608 42.356 42.059 -0.519 0.000 1.125 976 L HN 0.170 nan 8.230 nan 0.000 0.452 977 H N 1.685 120.800 119.070 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 1.399 31.175 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 0.136 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 0.032 0.000 1.061 978 A CA -0.187 51.767 52.037 -0.138 0.000 0.758 978 A CB 0.012 18.916 19.000 -0.160 0.000 0.991 978 A HN 0.871 nan 8.150 nan 0.000 0.502 979 E N 1.108 121.284 120.200 -0.040 0.000 2.359 979 E HA 0.117 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 1.728 58.109 56.400 -0.031 0.000 0.818 980 E CB 0.014 29.695 29.700 -0.031 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.358 107.348 108.800 -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 0.453 114.924 114.554 -0.139 0.000 2.807 982 T HA 0.411 4.760 4.350 -0.000 0.000 0.279 982 T C -1.555 173.008 174.700 -0.227 0.000 0.993 982 T CA -0.073 61.967 62.100 -0.100 0.000 0.970 982 T CB 1.609 70.506 68.868 0.049 0.000 0.950 982 T HN 0.309 nan 8.240 nan 0.000 0.441 983 W N 3.070 124.283 121.300 -0.144 0.000 2.361 983 W HA 0.631 5.291 4.660 -0.000 0.000 0.309 983 W C -0.433 175.969 176.519 -0.196 0.000 1.122 983 W CA -0.705 56.552 57.345 -0.146 0.000 1.208 983 W CB 0.916 30.297 29.460 -0.132 0.000 1.246 983 W HN 0.366 nan 8.180 nan 0.000 0.490 984 L N 5.423 126.681 121.223 0.058 0.000 2.362 984 L HA 0.524 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 -0.448 54.304 54.840 -0.146 0.000 0.820 984 L CB 1.090 42.929 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 0.452 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 52.606 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 1.838 122.224 120.570 -0.306 0.000 2.354 986 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 986 I C -0.458 175.469 176.117 -0.316 0.000 1.007 986 I CA -0.452 60.625 61.300 -0.373 0.000 1.167 986 I CB 1.396 39.032 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 1.069 177.087 176.300 -0.471 0.000 1.054 987 D CA -0.220 53.583 54.000 -0.327 0.000 0.838 987 D CB 2.592 43.293 40.800 -0.164 0.000 1.162 987 D HN 0.693 nan 8.370 nan 0.000 0.472 988 G N 1.214 109.461 108.800 -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 0.063 174.155 174.900 -1.345 0.000 1.156 988 G CA 0.567 44.880 45.100 -1.311 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.535 989 F N -1.917 117.824 119.950 -0.348 0.000 2.654 989 F HA 0.545 5.072 4.527 -0.000 0.000 0.308 989 F C -0.667 175.026 175.800 -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 40.726 39.000 -0.297 0.000 1.309 989 F HN -0.072 nan 8.300 nan 0.000 0.446 990 H N 2.407 121.484 119.070 0.012 0.000 2.865 990 H HA 0.420 4.976 4.556 -0.000 0.000 0.362 990 H C -1.142 174.203 175.328 0.029 0.000 1.114 990 H CA -0.719 55.308 56.048 -0.034 0.000 1.208 990 H CB 2.489 32.210 29.762 -0.068 0.000 1.727 990 H HN 0.837 nan 8.280 nan 0.000 0.534 991 M N 2.424 122.000 119.600 -0.040 0.000 2.245 991 M HA 0.265 4.744 4.480 -0.000 0.000 0.330 991 M C 0.583 177.000 176.300 0.195 0.000 1.098 991 M CA 0.279 55.611 55.300 0.054 0.000 1.172 991 M CB 0.382 32.915 32.600 -0.112 0.000 1.467 991 M HN 0.744 nan 8.290 nan 0.000 0.454 992 G N 2.368 111.249 108.800 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 -2.703 117.788 120.570 -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 -0.126 0.000 1.274 993 I CA 0.506 61.702 61.300 -0.174 0.000 1.301 993 I CB -0.326 37.483 38.000 -0.319 0.000 1.105 993 I HN 0.970 nan 8.210 nan 0.000 0.427 994 G N 1.617 110.363 108.800 -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 45.189 45.100 -0.022 0.000 0.903 994 G HN 1.413 nan 8.290 nan 0.000 0.575 995 G N -2.251 106.554 108.800 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 1.176 121.634 120.400 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 -3.528 116.692 120.400 -0.300 0.000 2.653 997 D HA 0.247 4.887 4.640 -0.000 0.000 0.258 997 D C -0.854 174.929 176.300 -0.860 0.000 1.252 997 D CA -0.735 52.668 54.000 -0.995 0.000 0.777 997 D CB 0.739 40.506 40.800 -1.721 0.000 1.339 997 D HN -0.292 nan 8.370 nan 0.000 0.422 998 S N -0.178 114.810 115.700 -1.185 0.000 2.588 998 S HA 0.258 4.728 4.470 -0.000 0.000 0.245 998 S C -0.502 174.163 174.600 0.109 0.000 1.021 998 S CA -0.641 57.404 58.200 -0.259 0.000 1.006 998 S CB -0.600 62.683 63.200 0.139 0.000 0.830 998 S HN 0.616 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 -0.037 176.442 176.519 -0.066 0.000 0.885 999 W CA -0.562 56.739 57.345 -0.072 0.000 1.488 999 W CB -0.544 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 -1.005 114.610 115.700 -0.141 0.000 2.596 1000 S HA 0.659 5.129 4.470 -0.000 0.000 0.270 1000 S C -3.156 171.394 174.600 -0.082 0.000 1.155 1000 S CA -1.659 56.489 58.200 -0.087 0.000 0.827 1000 S CB 1.740 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 0.229 177.577 177.300 0.081 0.000 1.215 1001 P CA -0.130 63.002 63.100 0.054 0.000 0.763 1001 P CB 0.689 32.335 31.700 -0.091 0.000 0.806 1002 S N 0.688 116.462 115.700 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 4.232 124.268 119.914 0.202 0.000 2.408 1003 V HA 0.414 4.534 4.120 -0.000 0.000 0.267 1003 V C 0.783 177.036 176.094 0.266 0.000 1.047 1003 V CA -0.476 61.941 62.300 0.195 0.000 0.937 1003 V CB 0.635 32.532 31.823 0.123 0.000 0.999 1003 V HN 0.650 nan 8.190 nan 0.000 0.472 1004 S N 4.439 120.324 115.700 0.308 0.000 2.573 1004 S HA 0.332 4.801 4.470 -0.000 0.000 0.277 1004 S C 1.496 176.241 174.600 0.243 0.000 1.346 1004 S CA -0.016 58.348 58.200 0.274 0.000 1.034 1004 S CB 1.302 64.629 63.200 0.212 0.000 0.879 1004 S HN 1.045 nan 8.310 nan 0.000 0.528 1005 A N 1.922 124.829 122.820 0.145 0.000 1.917 1005 A HA -0.190 4.130 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 1.981 54.081 52.037 0.106 0.000 0.633 1005 A CB -1.228 17.815 19.000 0.072 0.000 0.819 1005 A HN 0.962 nan 8.150 nan 0.000 0.448 1006 E N -1.051 119.054 120.200 -0.158 0.000 2.396 1006 E HA -0.117 4.233 4.350 -0.000 0.000 0.200 1006 E C 0.717 176.995 176.600 -0.537 0.000 1.023 1006 E CA 1.049 57.213 56.400 -0.393 0.000 0.857 1006 E CB -0.366 28.887 29.700 -0.745 0.000 0.775 1006 E HN 0.794 nan 8.360 nan 0.000 0.525 1007 F N 0.549 120.546 119.950 0.078 0.000 2.654 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.303 1007 F C 0.547 176.382 175.800 0.057 0.000 1.099 1007 F CA -0.521 57.524 58.000 0.075 0.000 1.270 1007 F CB 0.435 39.479 39.000 0.073 0.000 1.024 1007 F HN -0.168 nan 8.300 nan 0.000 0.548 1008 Q N 1.324 121.236 119.800 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 -0.570 55.320 55.803 0.144 0.000 0.900 1008 Q CB 2.052 30.959 28.738 0.281 0.000 1.229 1008 Q HN 0.259 nan 8.270 nan 0.000 0.439 1009 L N 2.419 123.646 121.223 0.007 0.000 2.399 1009 L HA 0.113 4.453 4.340 -0.000 0.000 0.257 1009 L C 0.671 177.456 176.870 -0.140 0.000 1.236 1009 L CA -0.064 54.754 54.840 -0.036 0.000 1.144 1009 L CB -0.304 41.647 42.059 -0.180 0.000 1.379 1009 L HN 0.696 nan 8.230 nan 0.000 0.414 1010 S N -0.986 114.567 115.700 -0.245 0.000 2.568 1010 S HA 0.159 4.628 4.470 -0.000 0.000 0.232 1010 S C 1.568 176.083 174.600 -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 63.632 63.200 -0.516 0.000 0.829 1010 S HN 0.524 nan 8.310 nan 0.000 0.479 1011 A N 1.362 124.144 122.820 -0.064 0.000 2.119 1011 A HA 0.491 4.811 4.320 -0.000 0.000 0.217 1011 A C 2.069 179.502 177.584 -0.252 0.000 1.153 1011 A CA 1.068 52.948 52.037 -0.262 0.000 0.692 1011 A CB -1.177 17.474 19.000 -0.582 0.000 0.799 1011 A HN 1.478 nan 8.150 nan 0.000 0.458 1012 G N -1.424 107.312 108.800 -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 0.433 175.297 174.900 -0.062 0.000 1.103 1012 G CA 0.388 45.475 45.100 -0.021 0.000 0.647 1012 G HN 0.660 nan 8.290 nan 0.000 0.512 1013 R N -0.599 119.704 120.500 -0.328 0.000 2.574 1013 R HA 0.644 4.984 4.340 -0.000 0.000 0.288 1013 R C -1.643 174.335 176.300 -0.538 0.000 1.004 1013 R CA -0.582 55.383 56.100 -0.226 0.000 0.895 1013 R CB 1.592 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 0.314 120.617 120.300 0.005 0.000 2.477 1014 Y HA 0.345 4.895 4.550 -0.000 0.000 0.347 1014 Y C -0.378 175.687 175.900 0.274 0.000 0.981 1014 Y CA -0.852 57.236 58.100 -0.020 0.000 1.033 1014 Y CB 2.259 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 2.719 122.072 119.070 0.471 0.000 2.679 1015 H HA 0.610 5.166 4.556 -0.000 0.000 0.360 1015 H C -1.717 173.977 175.328 0.610 0.000 1.105 1015 H CA -0.923 55.375 56.048 0.416 0.000 1.196 1015 H CB 1.211 31.114 29.762 0.235 0.000 1.636 1015 H HN 0.585 nan 8.280 nan 0.000 0.531 1016 Y N 1.194 121.280 120.300 -0.357 0.000 2.638 1016 Y HA 0.583 5.133 4.550 -0.000 0.000 0.335 1016 Y C -1.911 173.794 175.900 -0.324 0.000 1.155 1016 Y CA -1.082 56.889 58.100 -0.215 0.000 1.046 1016 Y CB 1.436 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 2.319 122.085 119.800 -0.056 0.000 2.418 1017 Q HA 0.811 5.151 4.340 -0.000 0.000 0.282 1017 Q C -1.810 174.255 176.000 0.108 0.000 1.044 1017 Q CA -0.992 54.774 55.803 -0.061 0.000 0.813 1017 Q CB 3.581 32.336 28.738 0.028 0.000 1.428 1017 Q HN 0.743 nan 8.270 nan 0.000 0.402 1018 L N 0.188 121.463 121.223 0.087 0.000 2.479 1018 L HA 0.761 5.101 4.340 -0.000 0.000 0.255 1018 L C -1.192 175.787 176.870 0.181 0.000 1.026 1018 L CA -1.216 53.720 54.840 0.160 0.000 0.842 1018 L CB 2.495 44.630 42.059 0.128 0.000 1.444 1018 L HN 0.345 nan 8.230 nan 0.000 0.409 1019 V N 0.289 120.343 119.914 0.233 0.000 2.531 1019 V HA 0.463 4.582 4.120 -0.000 0.000 0.301 1019 V C -1.106 175.173 176.094 0.309 0.000 1.034 1019 V CA -0.391 62.056 62.300 0.246 0.000 0.865 1019 V CB 2.037 33.979 31.823 0.197 0.000 0.995 1019 V HN 0.607 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.352 120.400 -0.081 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