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_F 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 -2.318 112.267 114.554 0.052 0.000 3.081 4 T HA 0.219 4.569 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 0.964 63.080 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 2.373 122.862 120.400 0.149 0.000 2.340 5 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 5 D C 0.959 177.471 176.300 0.353 0.000 1.039 5 D CA 0.157 54.351 54.000 0.323 0.000 0.866 5 D CB 0.057 41.066 40.800 0.349 0.000 0.913 5 D HN 0.567 nan 8.370 nan 0.000 0.523 6 S N 0.067 115.859 115.700 0.154 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.336 175.988 174.600 0.088 0.000 1.315 6 S CA -0.680 57.569 58.200 0.082 0.000 1.050 6 S CB 1.272 64.488 63.200 0.026 0.000 0.918 6 S HN -0.115 nan 8.310 nan 0.000 0.497 7 L N 3.577 124.829 121.223 0.049 0.000 2.051 7 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 7 L C 2.899 179.788 176.870 0.032 0.000 1.076 7 L CA 2.505 57.379 54.840 0.057 0.000 0.758 7 L CB -1.542 40.503 42.059 -0.024 0.000 0.890 7 L HN 0.989 nan 8.230 nan 0.000 0.433 8 A N -1.822 121.003 122.820 0.008 0.000 2.015 8 A HA -0.098 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 1.745 53.784 52.037 0.003 0.000 0.646 8 A CB -0.575 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 -0.121 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 0.753 120.566 119.914 -0.168 0.000 2.250 10 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 10 V C 2.163 178.135 176.094 -0.203 0.000 1.060 10 V CA 2.243 64.329 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 0.281 121.494 121.223 -0.016 0.000 2.622 11 L HA -0.104 4.236 4.340 -0.000 0.000 0.233 11 L C 2.337 179.279 176.870 0.121 0.000 1.156 11 L CA 0.798 55.761 54.840 0.205 0.000 0.866 11 L CB -0.710 41.516 42.059 0.278 0.000 0.980 11 L HN 0.443 nan 8.230 nan 0.000 0.448 12 Q N 0.713 120.510 119.800 -0.005 0.000 2.137 12 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 12 Q C 2.306 178.248 176.000 -0.098 0.000 0.960 12 Q CA 1.183 56.964 55.803 -0.037 0.000 0.847 12 Q CB 0.020 28.728 28.738 -0.050 0.000 0.915 12 Q HN 0.191 nan 8.270 nan 0.000 0.448 13 R N 0.512 120.934 120.500 -0.129 0.000 2.096 13 R HA 0.010 4.350 4.340 -0.000 0.000 0.235 13 R C 0.285 176.416 176.300 -0.282 0.000 1.127 13 R CA 1.135 57.130 56.100 -0.174 0.000 0.968 13 R CB -0.231 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 0.785 121.033 120.500 -0.420 0.000 3.261 14 R HA -0.122 4.218 4.340 -0.000 0.000 0.257 14 R C -0.137 175.698 176.300 -0.776 0.000 1.014 14 R CA 0.411 55.877 56.100 -1.057 0.000 0.681 14 R CB -1.231 28.582 30.300 -0.812 0.000 1.155 14 R HN 0.322 nan 8.270 nan 0.000 0.424 15 D N -0.316 119.821 120.400 -0.438 0.000 2.221 15 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 15 D C 1.587 177.849 176.300 -0.064 0.000 0.982 15 D CA 1.764 55.574 54.000 -0.317 0.000 0.857 15 D CB -0.138 40.263 40.800 -0.665 0.000 0.934 15 D HN 0.726 nan 8.370 nan 0.000 0.475 16 W N 1.608 122.943 121.300 0.058 0.000 3.292 16 W HA 0.160 4.820 4.660 -0.000 0.000 0.263 16 W C 0.252 176.876 176.519 0.174 0.000 1.318 16 W CA -0.216 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 1.028 121.057 120.200 -0.285 0.000 3.306 17 E HA 0.085 4.435 4.350 -0.000 0.000 0.197 17 E C -0.835 175.645 176.600 -0.200 0.000 0.980 17 E CA -0.284 56.014 56.400 -0.169 0.000 1.259 17 E CB -0.173 29.472 29.700 -0.093 0.000 1.112 17 E HN 0.078 nan 8.360 nan 0.000 0.458 18 N N 1.242 119.850 118.700 -0.153 0.000 2.572 18 N HA 0.140 4.880 4.740 -0.000 0.000 0.287 18 N C -2.372 173.016 175.510 -0.202 0.000 1.136 18 N CA -1.933 50.993 53.050 -0.206 0.000 0.900 18 N CB 1.626 39.999 38.487 -0.189 0.000 1.484 18 N HN -0.228 nan 8.380 nan 0.000 0.526 19 P HA 0.074 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 0.659 63.437 63.100 -0.537 0.000 0.769 19 P CB 0.170 31.094 31.700 -1.293 0.000 0.807 20 G N -0.343 108.276 108.800 -0.302 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 0.322 175.152 174.900 -0.117 0.000 1.133 20 G CA 0.213 45.189 45.100 -0.206 0.000 0.791 20 G HN 0.211 nan 8.290 nan 0.000 0.538 21 V N 1.445 121.311 119.914 -0.080 0.000 2.326 21 V HA 0.355 4.475 4.120 -0.000 0.000 0.281 21 V C 0.851 177.006 176.094 0.102 0.000 1.015 21 V CA 0.154 62.461 62.300 0.013 0.000 0.823 21 V CB 1.214 33.041 31.823 0.007 0.000 1.009 21 V HN 0.304 nan 8.190 nan 0.000 0.436 22 T N 0.742 115.341 114.554 0.074 0.000 2.985 22 T HA 0.353 4.703 4.350 -0.000 0.000 0.254 22 T C 0.275 174.987 174.700 0.020 0.000 1.021 22 T CA 0.217 62.350 62.100 0.055 0.000 0.957 22 T CB 0.386 69.248 68.868 -0.009 0.000 1.047 22 T HN 0.691 nan 8.240 nan 0.000 0.511 23 Q N 0.340 120.199 119.800 0.099 0.000 2.756 23 Q HA 0.712 5.052 4.340 -0.000 0.000 0.295 23 Q C -2.191 173.929 176.000 0.200 0.000 0.903 23 Q CA -1.096 54.751 55.803 0.073 0.000 0.768 23 Q CB 1.079 29.787 28.738 -0.049 0.000 1.472 23 Q HN 0.230 nan 8.270 nan 0.000 0.416 24 L N 1.703 123.070 121.223 0.240 0.000 2.580 24 L HA 0.559 4.899 4.340 -0.000 0.000 0.266 24 L C -0.790 176.226 176.870 0.244 0.000 0.955 24 L CA -0.806 54.197 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 0.576 119.379 118.700 0.171 0.000 2.800 25 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 25 N C 0.221 175.808 175.510 0.128 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 0.143 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 0.699 176.853 176.300 -0.244 0.000 1.069 26 R CA -0.327 55.491 56.100 -0.470 0.000 0.984 26 R CB 0.557 30.578 30.300 -0.466 0.000 1.003 26 R HN 0.123 nan 8.270 nan 0.000 0.459 27 L N 2.754 123.826 121.223 -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 -0.630 54.159 54.840 -0.085 0.000 0.817 27 L CB 0.464 42.511 42.059 -0.020 0.000 1.162 27 L HN 0.738 nan 8.230 nan 0.000 0.486 28 A N 0.490 123.318 122.820 0.012 0.000 2.366 28 A HA 0.553 4.873 4.320 -0.000 0.000 0.249 28 A C 0.158 177.786 177.584 0.074 0.000 1.084 28 A CA -0.023 52.034 52.037 0.033 0.000 0.794 28 A CB 0.283 19.321 19.000 0.065 0.000 1.034 28 A HN 0.766 nan 8.150 nan 0.000 0.491 29 A N 0.733 123.546 122.820 -0.011 0.000 2.304 29 A HA 0.724 5.044 4.320 -0.000 0.000 0.271 29 A C 0.029 177.554 177.584 -0.098 0.000 1.091 29 A CA 0.363 52.319 52.037 -0.134 0.000 0.812 29 A CB 0.000 18.905 19.000 -0.159 0.000 1.056 29 A HN 1.790 nan 8.150 nan 0.000 0.489 30 H N -2.520 116.450 119.070 -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 0.015 29.605 29.762 -0.287 0.000 1.824 30 H HN 0.403 nan 8.280 nan 0.000 0.505 31 P HA 0.206 nan 4.420 nan 0.000 0.274 31 P C -2.592 174.458 177.300 -0.417 0.000 1.260 31 P CA -1.487 61.397 63.100 -0.360 0.000 0.793 31 P CB -0.376 31.086 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 -0.124 31.596 31.700 0.034 0.000 0.835 33 F N 1.388 121.460 119.950 0.203 0.000 2.492 33 F HA 0.584 5.111 4.527 -0.000 0.000 0.327 33 F C 1.137 176.888 175.800 -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 0.567 123.354 122.820 -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 0.486 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 -0.206 115.321 115.700 -0.287 0.000 3.783 35 S HA -0.131 4.339 4.470 -0.000 0.000 0.360 35 S C -0.059 174.459 174.600 -0.137 0.000 1.006 35 S CA 0.329 58.405 58.200 -0.206 0.000 1.115 35 S CB -1.707 61.357 63.200 -0.227 0.000 0.893 35 S HN 0.493 nan 8.310 nan 0.000 0.475 36 W N 1.369 122.662 121.300 -0.011 0.000 2.148 36 W HA 0.163 4.823 4.660 -0.000 0.000 0.347 36 W C 1.545 178.057 176.519 -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 0.374 nan 8.180 nan 0.000 0.580 37 R N 1.537 122.200 120.500 0.271 0.000 2.508 37 R HA 0.093 4.433 4.340 -0.000 0.000 0.300 37 R C 0.088 176.468 176.300 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 30.741 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 0.379 175.881 175.510 -0.014 0.000 1.074 38 N CA 0.101 53.191 53.050 0.067 0.000 0.905 38 N CB 2.191 40.711 38.487 0.055 0.000 1.586 38 N HN -0.103 nan 8.380 nan 0.000 0.490 39 S N 2.763 118.433 115.700 -0.049 0.000 2.365 39 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 39 S C 1.178 175.637 174.600 -0.235 0.000 1.039 39 S CA 1.269 59.399 58.200 -0.117 0.000 1.033 39 S CB -0.208 62.957 63.200 -0.058 0.000 0.887 39 S HN 0.670 nan 8.310 nan 0.000 0.447 40 E N 0.934 121.017 120.200 -0.196 0.000 2.110 40 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 40 E C 2.207 178.625 176.600 -0.304 0.000 0.988 40 E CA 1.159 57.405 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 -0.261 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 -0.809 0.000 0.991 41 E CA 0.980 57.212 56.400 -0.280 0.000 0.799 41 E CB -0.082 29.620 29.700 0.003 0.000 0.748 41 E HN 0.178 nan 8.360 nan 0.000 0.449 42 A N 1.579 123.627 122.820 -1.287 0.000 1.902 42 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 42 A C 2.104 179.067 177.584 -1.035 0.000 1.181 42 A CA 1.634 52.446 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 -0.073 120.033 120.500 -0.656 0.000 2.152 43 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 43 R C 1.441 177.494 176.300 -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 0.247 69.010 68.868 -0.175 0.000 1.016 44 T HN 0.255 nan 8.240 nan 0.000 0.544 45 D N 1.338 121.627 120.400 -0.185 0.000 2.800 45 D HA -0.151 4.489 4.640 -0.000 0.000 0.232 45 D C 0.051 176.456 176.300 0.175 0.000 1.137 45 D CA 0.386 54.408 54.000 0.037 0.000 0.718 45 D CB -0.856 40.001 40.800 0.096 0.000 1.084 45 D HN 0.553 nan 8.370 nan 0.000 0.432 46 R N -0.112 120.486 120.500 0.164 0.000 2.652 46 R HA 0.492 4.832 4.340 -0.000 0.000 0.271 46 R C -2.123 174.440 176.300 0.438 0.000 1.129 46 R CA -1.195 55.054 56.100 0.248 0.000 1.200 46 R CB -0.001 30.390 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 -0.649 176.763 177.300 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 32.925 31.700 0.132 0.000 0.933 48 S N 1.797 117.489 115.700 -0.014 0.000 2.525 48 S HA 0.166 4.636 4.470 -0.000 0.000 0.290 48 S C 0.936 175.521 174.600 -0.024 0.000 1.152 48 S CA -0.538 57.578 58.200 -0.139 0.000 1.072 48 S CB 0.883 63.644 63.200 -0.732 0.000 1.027 48 S HN 0.373 nan 8.310 nan 0.000 0.500 49 Q N 1.719 121.551 119.800 0.052 0.000 2.472 49 Q HA -0.009 4.331 4.340 -0.000 0.000 0.208 49 Q C 0.787 176.925 176.000 0.230 0.000 0.958 49 Q CA 0.349 56.233 55.803 0.135 0.000 0.932 49 Q CB -0.144 28.685 28.738 0.151 0.000 1.007 49 Q HN 0.781 nan 8.270 nan 0.000 0.508 50 Q N 0.495 120.357 119.800 0.104 0.000 2.365 50 Q HA 0.148 4.488 4.340 -0.000 0.000 0.203 50 Q C 0.011 176.053 176.000 0.070 0.000 0.929 50 Q CA 0.134 55.981 55.803 0.073 0.000 0.948 50 Q CB 0.101 28.778 28.738 -0.102 0.000 1.043 50 Q HN 0.160 nan 8.270 nan 0.000 0.505 51 L N 1.172 122.462 121.223 0.111 0.000 2.343 51 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 51 L C -1.158 175.801 176.870 0.147 0.000 0.996 51 L CA -0.372 54.523 54.840 0.092 0.000 0.831 51 L CB 1.468 43.504 42.059 -0.038 0.000 1.232 51 L HN -0.101 nan 8.230 nan 0.000 0.413 52 R N 2.783 123.395 120.500 0.187 0.000 2.561 52 R HA 0.456 4.796 4.340 -0.000 0.000 0.297 52 R C -0.909 175.431 176.300 0.066 0.000 0.969 52 R CA -0.591 55.587 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 2.694 118.421 115.700 0.046 0.000 2.565 53 S HA 0.275 4.745 4.470 -0.000 0.000 0.274 53 S C 0.973 175.592 174.600 0.033 0.000 1.309 53 S CA -0.430 57.791 58.200 0.034 0.000 1.043 53 S CB 0.510 63.737 63.200 0.046 0.000 0.939 53 S HN 0.541 nan 8.310 nan 0.000 0.504 54 L N 3.456 124.707 121.223 0.048 0.000 2.857 54 L HA 0.284 4.624 4.340 -0.000 0.000 0.249 54 L C -0.018 177.061 176.870 0.347 0.000 1.172 54 L CA -0.255 54.648 54.840 0.106 0.000 0.980 54 L CB -0.332 41.760 42.059 0.055 0.000 1.299 54 L HN 0.497 nan 8.230 nan 0.000 0.535 55 N N 1.384 120.211 118.700 0.212 0.000 2.530 55 N HA 0.511 5.251 4.740 -0.000 0.000 0.273 55 N C 0.634 176.294 175.510 0.250 0.000 1.173 55 N CA 0.771 53.949 53.050 0.215 0.000 0.967 55 N CB 1.686 40.224 38.487 0.085 0.000 1.109 55 N HN 0.304 nan 8.380 nan 0.000 0.453 56 G N 0.769 109.754 108.800 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 -1.350 173.790 174.900 0.399 0.000 1.299 56 G CA -0.750 44.510 45.100 0.267 0.000 1.056 56 G HN 0.467 nan 8.290 nan 0.000 0.468 57 E N -0.305 120.088 120.200 0.322 0.000 2.313 57 E HA 0.529 4.879 4.350 -0.000 0.000 0.276 57 E C -1.130 175.739 176.600 0.449 0.000 1.031 57 E CA -0.125 56.472 56.400 0.328 0.000 0.857 57 E CB 0.809 30.615 29.700 0.177 0.000 1.040 57 E HN 0.383 nan 8.360 nan 0.000 0.408 58 W N 1.657 123.045 121.300 0.147 0.000 3.047 58 W HA 0.402 5.062 4.660 -0.000 0.000 0.341 58 W C -0.529 176.108 176.519 0.196 0.000 1.225 58 W CA -0.740 56.721 57.345 0.195 0.000 1.150 58 W CB 0.878 30.510 29.460 0.286 0.000 1.470 58 W HN 0.265 nan 8.180 nan 0.000 0.578 59 R N 1.603 122.365 120.500 0.437 0.000 2.474 59 R HA 0.656 4.996 4.340 -0.000 0.000 0.295 59 R C -1.402 175.101 176.300 0.338 0.000 0.980 59 R CA -0.784 55.507 56.100 0.318 0.000 0.934 59 R CB 1.578 32.011 30.300 0.221 0.000 1.101 59 R HN 0.450 nan 8.270 nan 0.000 0.469 60 F N 0.524 120.494 119.950 0.033 0.000 2.578 60 F HA 0.663 5.190 4.527 -0.000 0.000 0.311 60 F C -1.479 174.181 175.800 -0.233 0.000 1.094 60 F CA -0.624 57.257 58.000 -0.199 0.000 0.923 60 F CB 2.081 40.852 39.000 -0.383 0.000 1.230 60 F HN 0.680 nan 8.300 nan 0.000 0.450 61 A N 4.233 126.172 122.820 -1.468 0.000 2.549 61 A HA 0.601 4.921 4.320 -0.000 0.000 0.297 61 A C -2.492 174.217 177.584 -1.457 0.000 1.061 61 A CA -0.561 50.801 52.037 -1.125 0.000 0.690 61 A CB 0.779 19.477 19.000 -0.503 0.000 1.287 61 A HN 0.970 nan 8.150 nan 0.000 0.402 62 W N 1.816 122.337 121.300 -1.299 0.000 2.689 62 W HA 0.793 5.453 4.660 -0.000 0.000 0.340 62 W C -1.967 173.957 176.519 -0.992 0.000 1.060 62 W CA -0.442 56.303 57.345 -1.001 0.000 1.218 62 W CB 1.449 30.506 29.460 -0.671 0.000 1.410 62 W HN 0.520 nan 8.180 nan 0.000 0.528 63 F N 4.798 124.112 119.950 -1.060 0.000 2.631 63 F HA 0.349 4.876 4.527 -0.000 0.000 0.308 63 F C -1.533 173.455 175.800 -1.353 0.000 1.097 63 F CA -2.389 55.117 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 0.079 nan 4.420 nan 0.000 0.226 64 P C -0.242 176.964 177.300 -0.157 0.000 1.153 64 P CA 1.037 63.957 63.100 -0.300 0.000 0.777 64 P CB 0.579 32.318 31.700 0.066 0.000 0.794 65 A N -1.048 121.685 122.820 -0.145 0.000 2.605 65 A HA 0.521 4.841 4.320 -0.000 0.000 0.294 65 A C -2.380 175.106 177.584 -0.163 0.000 1.062 65 A CA -1.086 50.895 52.037 -0.094 0.000 0.682 65 A CB 0.609 19.614 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 64.600 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 0.291 120.448 120.200 -0.072 0.000 2.171 67 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 67 E C 2.100 178.652 176.600 -0.080 0.000 0.997 67 E CA 1.538 57.917 56.400 -0.035 0.000 0.810 67 E CB -0.893 28.824 29.700 0.029 0.000 0.738 67 E HN 0.228 nan 8.360 nan 0.000 0.467 68 A N 0.727 123.486 122.820 -0.102 0.000 2.206 68 A HA 0.033 4.353 4.320 -0.000 0.000 0.211 68 A C 0.844 178.250 177.584 -0.297 0.000 1.158 68 A CA 0.068 52.062 52.037 -0.072 0.000 0.761 68 A CB -0.009 19.041 19.000 0.083 0.000 0.801 68 A HN 0.043 nan 8.150 nan 0.000 0.473 69 V N 2.531 122.109 119.914 -0.559 0.000 2.572 69 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 69 V C -2.132 173.747 176.094 -0.358 0.000 1.039 69 V CA -1.307 60.487 62.300 -0.842 0.000 1.055 69 V CB 0.755 32.008 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 -0.520 62.529 63.100 -0.085 0.000 0.827 70 P CB 1.642 33.339 31.700 -0.006 0.000 0.992 71 E N 1.717 121.890 120.200 -0.045 0.000 2.169 71 E HA -0.234 4.116 4.350 -0.000 0.000 0.202 71 E C 1.671 178.234 176.600 -0.062 0.000 1.016 71 E CA 2.424 58.789 56.400 -0.058 0.000 0.817 71 E CB -0.292 29.375 29.700 -0.055 0.000 0.736 71 E HN 0.438 nan 8.360 nan 0.000 0.462 72 S N -0.202 115.486 115.700 -0.021 0.000 2.383 72 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 72 S C 1.412 175.989 174.600 -0.038 0.000 1.030 72 S CA 1.124 59.311 58.200 -0.021 0.000 1.002 72 S CB -0.739 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 2.694 123.902 121.300 -0.153 0.000 2.292 73 W HA -0.185 4.475 4.660 -0.000 0.000 0.304 73 W C 1.589 177.993 176.519 -0.192 0.000 1.228 73 W CA 1.103 58.348 57.345 -0.166 0.000 1.241 73 W CB -0.641 28.692 29.460 -0.212 0.000 1.142 73 W HN 0.246 nan 8.180 nan 0.000 0.520 74 L N 0.054 120.955 121.223 -0.537 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.515 179.106 176.870 -0.466 0.000 1.083 74 L CA 1.504 55.924 54.840 -0.699 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 0.284 29.916 29.700 -0.113 0.000 0.807 75 E HN 0.307 nan 8.360 nan 0.000 0.467 76 C N 2.215 121.437 119.300 -0.131 0.000 2.563 76 C HA 0.362 4.822 4.460 -0.000 0.000 0.314 76 C C -0.093 174.884 174.990 -0.022 0.000 1.199 76 C CA -1.307 57.671 59.018 -0.067 0.000 1.564 76 C CB 1.446 29.170 27.740 -0.027 0.000 2.173 76 C HN 0.214 nan 8.230 nan 0.000 0.485 77 D N 1.601 122.007 120.400 0.011 0.000 2.419 77 D HA 0.194 4.834 4.640 -0.000 0.000 0.236 77 D C 0.024 176.397 176.300 0.121 0.000 1.165 77 D CA 0.503 54.560 54.000 0.096 0.000 0.882 77 D CB 0.621 41.474 40.800 0.088 0.000 1.201 77 D HN 0.367 nan 8.370 nan 0.000 0.443 78 L N 2.508 123.834 121.223 0.171 0.000 2.421 78 L HA 0.206 4.546 4.340 -0.000 0.000 0.263 78 L C -1.027 175.887 176.870 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 42.765 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 0.634 177.950 177.300 0.027 0.000 1.154 79 P CA 1.033 64.154 63.100 0.036 0.000 0.841 79 P CB 0.186 31.903 31.700 0.028 0.000 0.788 80 E N 0.064 120.275 120.200 0.018 0.000 2.502 80 E HA 0.264 4.614 4.350 -0.000 0.000 0.194 80 E C 0.755 177.351 176.600 -0.008 0.000 1.062 80 E CA -0.142 56.256 56.400 -0.003 0.000 0.867 80 E CB -0.490 29.192 29.700 -0.030 0.000 0.888 80 E HN 0.177 nan 8.360 nan 0.000 0.510 81 A N 1.540 124.368 122.820 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 -0.394 51.652 52.037 0.015 0.000 0.781 81 A CB 0.388 19.422 19.000 0.056 0.000 1.019 81 A HN 0.034 nan 8.150 nan 0.000 0.490 82 D N 0.537 121.000 120.400 0.105 0.000 2.387 82 D HA 0.418 5.058 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 54.195 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 0.801 115.435 114.554 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 1.075 70.006 68.868 0.106 0.000 0.927 83 T HN 0.016 nan 8.240 nan 0.000 0.448 84 V N 3.707 123.725 119.914 0.173 0.000 3.001 84 V HA 0.513 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 -0.801 61.564 62.300 0.107 0.000 0.989 84 V CB 2.588 34.487 31.823 0.126 0.000 1.040 84 V HN 0.631 nan 8.190 nan 0.000 0.434 85 V N 3.474 123.469 119.914 0.135 0.000 2.546 85 V HA 0.432 4.552 4.120 -0.000 0.000 0.284 85 V C -0.210 175.960 176.094 0.126 0.000 1.050 85 V CA -0.212 62.180 62.300 0.153 0.000 0.981 85 V CB 1.632 33.517 31.823 0.102 0.000 0.990 85 V HN 0.548 nan 8.190 nan 0.000 0.474 86 V N 7.608 127.531 119.914 0.015 0.000 2.487 86 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 86 V C -2.253 173.754 176.094 -0.145 0.000 1.028 86 V CA -1.592 60.585 62.300 -0.205 0.000 0.860 86 V CB 2.461 33.810 31.823 -0.790 0.000 0.991 86 V HN 0.778 nan 8.190 nan 0.000 0.427 87 P HA 0.615 nan 4.420 nan 0.000 0.282 87 P C -0.899 176.353 177.300 -0.079 0.000 1.259 87 P CA -0.300 62.707 63.100 -0.155 0.000 0.826 87 P CB 1.738 33.349 31.700 -0.149 0.000 1.064 88 S N -0.081 115.590 115.700 -0.048 0.000 2.656 88 S HA 0.382 4.852 4.470 -0.000 0.000 0.265 88 S C -1.487 173.076 174.600 -0.062 0.000 1.110 88 S CA -1.013 57.145 58.200 -0.071 0.000 0.821 88 S CB 0.103 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 1.033 119.620 118.700 -0.188 0.000 2.417 89 N HA 0.449 5.189 4.740 -0.000 0.000 0.274 89 N C 0.431 175.792 175.510 -0.247 0.000 0.987 89 N CA -0.759 52.155 53.050 -0.226 0.000 0.912 89 N CB 0.760 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 2.782 123.963 121.300 -0.199 0.000 2.421 90 W HA -0.091 4.569 4.660 -0.000 0.000 0.270 90 W C 0.878 177.371 176.519 -0.042 0.000 1.233 90 W CA 0.913 58.139 57.345 -0.197 0.000 1.226 90 W CB -0.386 28.887 29.460 -0.311 0.000 1.121 90 W HN 0.509 nan 8.180 nan 0.000 0.579 91 Q N 0.297 120.087 119.800 -0.016 0.000 2.224 91 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 91 Q C 2.029 177.999 176.000 -0.050 0.000 0.970 91 Q CA 1.596 57.409 55.803 0.015 0.000 0.865 91 Q CB -0.565 28.064 28.738 -0.180 0.000 0.922 91 Q HN 0.212 nan 8.270 nan 0.000 0.445 92 M N -0.938 118.571 119.600 -0.151 0.000 2.630 92 M HA -0.024 4.456 4.480 -0.000 0.000 0.254 92 M C 0.473 176.772 176.300 -0.002 0.000 1.092 92 M CA 1.262 56.467 55.300 -0.159 0.000 1.087 92 M CB -0.519 31.925 32.600 -0.260 0.000 1.453 92 M HN 0.345 nan 8.290 nan 0.000 0.509 93 H N -1.618 117.488 119.070 0.059 0.000 2.755 93 H HA 0.358 4.914 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 0.192 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 0.467 109.262 108.800 -0.008 0.000 2.195 94 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.224 94 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.224 94 G C 0.530 175.287 174.900 -0.238 0.000 0.990 94 G CA 0.279 45.276 45.100 -0.171 0.000 0.639 94 G HN 0.406 nan 8.290 nan 0.000 0.514 95 Y N 2.152 122.422 120.300 -0.050 0.000 2.165 95 Y HA 0.201 4.751 4.550 -0.000 0.000 0.286 95 Y C 1.676 177.297 175.900 -0.465 0.000 1.155 95 Y CA 1.615 59.510 58.100 -0.340 0.000 1.164 95 Y CB -0.197 37.983 38.460 -0.467 0.000 0.978 95 Y HN 0.634 nan 8.280 nan 0.000 0.513 96 D N -2.313 118.165 120.400 0.130 0.000 2.692 96 D HA 0.549 5.189 4.640 -0.000 0.000 0.303 96 D C -1.190 175.213 176.300 0.171 0.000 1.278 96 D CA -0.818 53.282 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 -0.244 122.681 122.820 0.175 0.000 2.304 97 A HA 0.717 5.037 4.320 -0.000 0.000 0.301 97 A C -2.431 175.193 177.584 0.067 0.000 1.132 97 A CA -1.245 50.870 52.037 0.128 0.000 0.819 97 A CB 0.150 19.280 19.000 0.218 0.000 1.094 97 A HN 0.505 nan 8.150 nan 0.000 0.492 98 P HA 0.463 nan 4.420 nan 0.000 0.278 98 P C -0.871 176.576 177.300 0.246 0.000 1.238 98 P CA 0.062 63.111 63.100 -0.085 0.000 0.794 98 P CB 0.702 32.100 31.700 -0.502 0.000 0.955 99 I N 2.402 123.203 120.570 0.385 0.000 2.441 99 I HA 0.284 4.454 4.170 -0.000 0.000 0.295 99 I C -0.504 175.800 176.117 0.312 0.000 0.994 99 I CA -0.943 60.583 61.300 0.377 0.000 1.144 99 I CB 1.624 39.774 38.000 0.249 0.000 1.314 99 I HN 0.312 nan 8.210 nan 0.000 0.445 100 Y N 5.583 125.848 120.300 -0.059 0.000 2.842 100 Y HA 0.427 4.977 4.550 -0.000 0.000 0.334 100 Y C -0.249 175.496 175.900 -0.258 0.000 1.019 100 Y CA -0.323 57.462 58.100 -0.524 0.000 1.258 100 Y CB 0.973 38.499 38.460 -1.557 0.000 1.106 100 Y HN 0.549 nan 8.280 nan 0.000 0.545 101 T N 3.864 117.901 114.554 -0.862 0.000 2.887 101 T HA 0.270 4.620 4.350 -0.000 0.000 0.288 101 T C 0.327 174.519 174.700 -0.846 0.000 1.021 101 T CA -0.507 61.141 62.100 -0.753 0.000 1.000 101 T CB 1.398 70.047 68.868 -0.366 0.000 1.034 101 T HN 0.866 nan 8.240 nan 0.000 0.467 102 N N 2.094 120.372 118.700 -0.704 0.000 2.335 102 N HA 0.034 4.774 4.740 -0.000 0.000 0.197 102 N C 1.455 176.692 175.510 -0.455 0.000 1.045 102 N CA 0.483 53.234 53.050 -0.499 0.000 0.928 102 N CB 0.218 38.436 38.487 -0.448 0.000 1.118 102 N HN 0.354 nan 8.380 nan 0.000 0.471 103 V N 0.488 120.069 119.914 -0.555 0.000 2.436 103 V HA 0.053 4.173 4.120 -0.000 0.000 0.240 103 V C 0.558 176.311 176.094 -0.568 0.000 1.040 103 V CA 0.777 62.654 62.300 -0.706 0.000 1.052 103 V CB -0.061 31.273 31.823 -0.814 0.000 0.707 103 V HN 0.321 nan 8.190 nan 0.000 0.469 104 T N 1.222 115.519 114.554 -0.429 0.000 2.867 104 T HA 0.114 4.464 4.350 -0.000 0.000 0.297 104 T C -0.404 174.145 174.700 -0.252 0.000 0.989 104 T CA 0.327 62.254 62.100 -0.287 0.000 1.159 104 T CB -0.341 68.394 68.868 -0.221 0.000 0.928 104 T HN 0.192 nan 8.240 nan 0.000 0.538 105 Y N 5.201 125.392 120.300 -0.182 0.000 2.597 105 Y HA 0.111 4.661 4.550 -0.000 0.000 0.336 105 Y C -0.875 174.888 175.900 -0.229 0.000 1.216 105 Y CA -1.824 56.156 58.100 -0.200 0.000 1.463 105 Y CB 0.390 38.730 38.460 -0.200 0.000 1.303 105 Y HN 0.546 nan 8.280 nan 0.000 0.576 106 P HA -0.120 nan 4.420 nan 0.000 0.220 106 P C 0.166 177.278 177.300 -0.314 0.000 1.148 106 P CA 1.364 64.354 63.100 -0.183 0.000 0.803 106 P CB 0.149 31.749 31.700 -0.167 0.000 0.782 107 I N -4.400 115.902 120.570 -0.446 0.000 3.205 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.310 107 I C -0.483 175.495 176.117 -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 2.234 116.692 114.554 -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 1.140 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 4.613 124.525 119.914 -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 0.074 0.000 1.114 109 V CA -0.171 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 0.811 nan 8.190 nan 0.000 0.494 110 N N 5.408 124.212 118.700 0.174 0.000 2.673 110 N HA 0.276 5.016 4.740 -0.000 0.000 0.265 110 N C -2.974 172.580 175.510 0.074 0.000 1.709 110 N CA -1.452 51.687 53.050 0.149 0.000 0.792 110 N CB 1.464 40.095 38.487 0.240 0.000 1.286 110 N HN 0.249 nan 8.380 nan 0.000 0.506 111 P HA 0.151 nan 4.420 nan 0.000 0.262 111 P C -2.292 174.718 177.300 -0.483 0.000 1.182 111 P CA -0.688 61.949 63.100 -0.772 0.000 0.761 111 P CB 0.437 31.555 31.700 -0.970 0.000 0.795 112 P HA 0.250 nan 4.420 nan 0.000 0.266 112 P C -0.567 176.572 177.300 -0.269 0.000 1.561 112 P CA -0.344 62.500 63.100 -0.426 0.000 1.089 112 P CB 0.025 31.498 31.700 -0.377 0.000 1.534 113 F N -0.327 119.733 119.950 0.184 0.000 2.399 113 F HA 0.300 4.827 4.527 -0.000 0.000 0.342 113 F C 1.144 177.114 175.800 0.283 0.000 1.106 113 F CA -0.835 57.282 58.000 0.196 0.000 1.196 113 F CB 0.987 40.053 39.000 0.111 0.000 1.163 113 F HN -0.286 nan 8.300 nan 0.000 0.547 114 V N 3.175 123.378 119.914 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 0.702 178.163 177.300 0.267 0.000 1.237 115 P CA 0.020 63.237 63.100 0.195 0.000 0.793 115 P CB 0.649 32.428 31.700 0.132 0.000 0.977 116 T N -1.057 113.618 114.554 0.201 0.000 2.833 116 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 116 T C 0.308 175.123 174.700 0.193 0.000 1.054 116 T CA 1.113 63.331 62.100 0.197 0.000 1.135 116 T CB -0.652 68.296 68.868 0.135 0.000 0.869 116 T HN 0.371 nan 8.240 nan 0.000 0.466 117 E N 2.836 123.154 120.200 0.197 0.000 1.996 117 E HA 0.440 4.790 4.350 -0.000 0.000 0.280 117 E C -0.645 176.108 176.600 0.256 0.000 1.092 117 E CA -0.271 56.245 56.400 0.192 0.000 0.862 117 E CB 0.440 30.260 29.700 0.199 0.000 1.066 117 E HN 0.366 nan 8.360 nan 0.000 0.396 118 N N 3.623 122.424 118.700 0.168 0.000 2.577 118 N HA 0.267 5.007 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 -2.628 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 0.623 63.599 63.100 -0.206 0.000 0.858 119 P CB -0.107 31.748 31.700 0.258 0.000 0.804 120 T N 2.850 117.089 114.554 -0.525 0.000 2.837 120 T HA 0.549 4.899 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 -0.394 61.445 62.100 -0.435 0.000 1.049 120 T CB 1.345 69.968 68.868 -0.408 0.000 0.947 120 T HN 0.301 nan 8.240 nan 0.000 0.472 121 G N 1.128 109.616 108.800 -0.519 0.000 2.605 121 G HA2 0.476 4.436 3.960 -0.000 0.000 0.304 121 G HA3 0.476 4.436 3.960 -0.000 0.000 0.304 121 G C -0.320 174.386 174.900 -0.322 0.000 1.333 121 G CA -0.487 44.203 45.100 -0.684 0.000 0.973 121 G HN 0.899 nan 8.290 nan 0.000 0.507 122 C N 3.026 121.894 119.300 -0.721 0.000 2.281 122 C HA 0.512 4.972 4.460 -0.000 0.000 0.336 122 C C -0.387 174.471 174.990 -0.220 0.000 1.217 122 C CA -1.036 57.582 59.018 -0.668 0.000 1.730 122 C CB -1.750 24.992 27.740 -1.663 0.000 2.338 122 C HN 0.598 nan 8.230 nan 0.000 0.521 123 Y N 1.768 122.239 120.300 0.285 0.000 2.457 123 Y HA 0.671 5.221 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 -0.432 58.006 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 1.905 118.111 115.700 0.843 0.000 2.537 124 S HA 0.786 5.256 4.470 -0.000 0.000 0.271 124 S C -1.816 172.867 174.600 0.138 0.000 1.148 124 S CA -0.827 57.665 58.200 0.486 0.000 0.868 124 S CB 1.881 65.304 63.200 0.372 0.000 1.115 124 S HN 0.752 nan 8.310 nan 0.000 0.461 125 L N 0.668 121.814 121.223 -0.130 0.000 2.513 125 L HA 0.780 5.120 4.340 -0.000 0.000 0.261 125 L C -1.443 175.385 176.870 -0.070 0.000 0.945 125 L CA 0.025 54.623 54.840 -0.403 0.000 0.848 125 L CB 2.359 43.588 42.059 -1.383 0.000 1.334 125 L HN 0.863 nan 8.230 nan 0.000 0.407 126 T N 5.240 119.774 114.554 -0.033 0.000 2.770 126 T HA 0.748 5.098 4.350 -0.000 0.000 0.283 126 T C -0.913 173.854 174.700 0.112 0.000 0.988 126 T CA -0.078 62.046 62.100 0.040 0.000 0.957 126 T CB 0.377 69.225 68.868 -0.034 0.000 0.930 126 T HN 0.486 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 1.372 40.286 39.000 -0.144 0.000 1.360 127 F HN 0.228 nan 8.300 nan 0.000 0.469 128 N N 0.163 118.784 118.700 -0.132 0.000 2.399 128 N HA 0.665 5.405 4.740 -0.000 0.000 0.295 128 N C -1.643 173.789 175.510 -0.129 0.000 1.048 128 N CA -0.579 52.356 53.050 -0.191 0.000 0.886 128 N CB 2.182 40.599 38.487 -0.117 0.000 1.185 128 N HN 0.576 nan 8.380 nan 0.000 0.487 129 V N 1.495 121.297 119.914 -0.188 0.000 2.495 129 V HA 0.243 4.363 4.120 -0.000 0.000 0.298 129 V C -0.245 175.714 176.094 -0.224 0.000 1.031 129 V CA -0.951 61.247 62.300 -0.171 0.000 0.871 129 V CB 1.520 33.306 31.823 -0.062 0.000 0.988 129 V HN 0.661 nan 8.190 nan 0.000 0.432 130 D N 3.180 123.336 120.400 -0.407 0.000 2.424 130 D HA -0.013 4.627 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 53.922 54.000 -0.321 0.000 0.881 130 D CB 1.203 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 2.235 122.389 120.200 -0.076 0.000 2.347 131 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 131 E C 1.358 177.986 176.600 0.047 0.000 1.008 131 E CA 0.774 57.172 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 0.366 nan 8.360 nan 0.000 0.505 132 S N 0.340 116.066 115.700 0.043 0.000 2.370 132 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 132 S C 1.441 176.139 174.600 0.163 0.000 1.033 132 S CA 1.308 59.569 58.200 0.101 0.000 1.011 132 S CB -0.596 62.673 63.200 0.115 0.000 0.852 132 S HN 0.585 nan 8.310 nan 0.000 0.457 133 W N 1.389 122.547 121.300 -0.236 0.000 2.392 133 W HA 0.195 4.855 4.660 -0.000 0.000 0.279 133 W C 2.120 178.587 176.519 -0.087 0.000 1.225 133 W CA 0.088 57.165 57.345 -0.448 0.000 1.233 133 W CB -0.799 28.427 29.460 -0.391 0.000 1.122 133 W HN 0.338 nan 8.180 nan 0.000 0.561 134 L N -0.542 120.811 121.223 0.217 0.000 2.341 134 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 134 L C 2.198 179.143 176.870 0.125 0.000 1.115 134 L CA 0.875 55.814 54.840 0.165 0.000 0.820 134 L CB -0.255 41.871 42.059 0.112 0.000 0.944 134 L HN -0.000 nan 8.230 nan 0.000 0.452 135 Q N -0.260 119.607 119.800 0.112 0.000 2.008 135 Q HA -0.084 4.256 4.340 -0.000 0.000 0.196 135 Q C 0.842 176.899 176.000 0.094 0.000 0.973 135 Q CA 0.898 56.753 55.803 0.086 0.000 0.826 135 Q CB 0.011 28.790 28.738 0.068 0.000 0.894 135 Q HN 0.193 nan 8.270 nan 0.000 0.439 136 E N 0.592 120.866 120.200 0.122 0.000 2.235 136 E HA 0.463 4.813 4.350 -0.000 0.000 0.265 136 E C 0.296 177.001 176.600 0.175 0.000 0.940 136 E CA 0.014 56.484 56.400 0.116 0.000 0.819 136 E CB 1.263 31.016 29.700 0.089 0.000 1.206 136 E HN 0.287 nan 8.360 nan 0.000 0.409 137 G N 1.884 110.709 108.800 0.040 0.000 2.632 137 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.224 137 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.224 137 G C -0.945 173.888 174.900 -0.111 0.000 1.341 137 G CA 0.051 45.071 45.100 -0.133 0.000 0.880 137 G HN 0.783 nan 8.290 nan 0.000 0.566 138 Q N -0.398 119.207 119.800 -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 -0.179 0.000 1.064 138 Q CA -0.442 55.259 55.803 -0.170 0.000 0.800 138 Q CB 1.892 30.558 28.738 -0.120 0.000 1.304 138 Q HN 0.643 nan 8.270 nan 0.000 0.438 139 T N 4.964 119.542 114.554 0.040 0.000 2.815 139 T HA 0.483 4.833 4.350 -0.000 0.000 0.289 139 T C -0.716 174.066 174.700 0.137 0.000 1.000 139 T CA -0.630 61.545 62.100 0.125 0.000 0.958 139 T CB 0.567 69.626 68.868 0.318 0.000 0.944 139 T HN 0.626 nan 8.240 nan 0.000 0.442 140 R N 3.168 123.724 120.500 0.094 0.000 2.854 140 R HA 0.757 5.097 4.340 -0.000 0.000 0.271 140 R C -1.230 175.136 176.300 0.111 0.000 0.994 140 R CA -0.980 55.191 56.100 0.118 0.000 0.945 140 R CB 1.660 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 -1.029 175.096 176.117 0.014 0.000 0.989 141 I CA -1.364 59.952 61.300 0.025 0.000 1.173 141 I CB 1.397 39.391 38.000 -0.010 0.000 1.338 141 I HN 0.620 nan 8.210 nan 0.000 0.456 142 I N 7.227 127.702 120.570 -0.158 0.000 2.447 142 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 142 I C -1.254 174.655 176.117 -0.346 0.000 1.023 142 I CA -0.407 60.816 61.300 -0.128 0.000 1.083 142 I CB 1.553 39.514 38.000 -0.064 0.000 1.245 142 I HN 0.369 nan 8.210 nan 0.000 0.434 143 F N 4.520 124.480 119.950 0.015 0.000 2.334 143 F HA 0.266 4.793 4.527 -0.000 0.000 0.367 143 F C 1.319 177.026 175.800 -0.156 0.000 1.115 143 F CA -0.493 57.448 58.000 -0.099 0.000 1.116 143 F CB 0.736 39.652 39.000 -0.141 0.000 1.230 143 F HN 0.461 nan 8.300 nan 0.000 0.484 144 D N 2.335 122.690 120.400 -0.075 0.000 2.263 144 D HA 0.015 4.655 4.640 -0.000 0.000 0.208 144 D C 1.003 177.158 176.300 -0.243 0.000 0.971 144 D CA 1.059 54.961 54.000 -0.163 0.000 0.867 144 D CB 0.285 40.946 40.800 -0.232 0.000 0.929 144 D HN 0.648 nan 8.370 nan 0.000 0.492 145 G N -0.881 107.705 108.800 -0.357 0.000 2.682 145 G HA2 0.431 4.391 3.960 -0.000 0.000 0.300 145 G HA3 0.431 4.391 3.960 -0.000 0.000 0.300 145 G C -1.621 172.908 174.900 -0.618 0.000 1.396 145 G CA -0.514 44.244 45.100 -0.571 0.000 1.104 145 G HN -0.051 nan 8.290 nan 0.000 0.587 146 V N 2.386 122.155 119.914 -0.241 0.000 2.612 146 V HA 0.555 4.675 4.120 -0.000 0.000 0.301 146 V C -0.898 175.258 176.094 0.102 0.000 1.059 146 V CA -1.165 61.030 62.300 -0.176 0.000 0.886 146 V CB 1.950 33.399 31.823 -0.623 0.000 1.007 146 V HN 0.756 nan 8.190 nan 0.000 0.426 147 N N 2.351 121.142 118.700 0.152 0.000 2.372 147 N HA 0.366 5.106 4.740 -0.000 0.000 0.285 147 N C 0.622 176.082 175.510 -0.082 0.000 1.008 147 N CA 0.187 53.258 53.050 0.035 0.000 0.880 147 N CB 2.376 40.785 38.487 -0.131 0.000 1.239 147 N HN 0.667 nan 8.380 nan 0.000 0.484 148 S N 2.056 117.736 115.700 -0.033 0.000 2.505 148 S HA 0.540 5.010 4.470 -0.000 0.000 0.216 148 S C 0.322 174.987 174.600 0.108 0.000 1.018 148 S CA 0.218 58.450 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 0.723 123.620 122.820 0.129 0.000 2.606 149 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 149 A C -1.267 176.460 177.584 0.239 0.000 1.082 149 A CA -0.934 51.166 52.037 0.105 0.000 0.685 149 A CB 0.939 20.020 19.000 0.134 0.000 1.284 149 A HN 1.189 nan 8.150 nan 0.000 0.408 150 F N -0.662 119.166 119.950 -0.203 0.000 2.725 150 F HA 0.695 5.222 4.527 -0.000 0.000 0.309 150 F C -1.364 174.442 175.800 0.009 0.000 1.132 150 F CA -0.778 57.191 58.000 -0.052 0.000 0.957 150 F CB 1.015 39.954 39.000 -0.101 0.000 1.286 150 F HN 0.644 nan 8.300 nan 0.000 0.440 151 H N 2.027 121.292 119.070 0.326 0.000 2.499 151 H HA 0.774 5.330 4.556 -0.000 0.000 0.340 151 H C -1.421 173.975 175.328 0.112 0.000 1.148 151 H CA -0.718 55.440 56.048 0.183 0.000 1.215 151 H CB 2.421 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 2.403 123.522 121.223 -0.173 0.000 2.408 152 L HA 0.413 4.753 4.340 -0.000 0.000 0.268 152 L C -1.737 174.877 176.870 -0.425 0.000 0.986 152 L CA -0.529 54.242 54.840 -0.114 0.000 0.820 152 L CB 1.727 43.587 42.059 -0.333 0.000 1.303 152 L HN 0.513 nan 8.230 nan 0.000 0.411 153 W N 4.189 125.463 121.300 -0.043 0.000 2.761 153 W HA 0.625 5.285 4.660 -0.000 0.000 0.340 153 W C -1.137 175.315 176.519 -0.111 0.000 1.072 153 W CA -0.789 56.500 57.345 -0.094 0.000 1.215 153 W CB 2.095 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 4.826 124.197 119.300 0.119 0.000 2.397 154 C HA 0.298 4.758 4.460 -0.000 0.000 0.325 154 C C 0.162 175.253 174.990 0.168 0.000 1.201 154 C CA -0.389 58.683 59.018 0.090 0.000 1.377 154 C CB -0.495 27.221 27.740 -0.039 0.000 2.038 154 C HN 0.808 nan 8.230 nan 0.000 0.457 155 N N 3.710 122.479 118.700 0.115 0.000 2.727 155 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 155 N C 0.986 176.554 175.510 0.097 0.000 1.048 155 N CA 2.065 55.162 53.050 0.078 0.000 0.714 155 N CB -1.330 37.207 38.487 0.083 0.000 0.959 155 N HN 1.873 nan 8.380 nan 0.000 0.544 156 G N -1.277 107.571 108.800 0.080 0.000 2.225 156 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.254 156 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.254 156 G C 0.174 175.243 174.900 0.281 0.000 0.988 156 G CA 0.550 45.691 45.100 0.069 0.000 0.625 156 G HN 0.550 nan 8.290 nan 0.000 0.527 157 R N -0.709 120.017 120.500 0.377 0.000 2.312 157 R HA 0.415 4.755 4.340 -0.000 0.000 0.311 157 R C -0.151 176.429 176.300 0.467 0.000 1.004 157 R CA -0.858 55.536 56.100 0.490 0.000 0.902 157 R CB 0.748 31.372 30.300 0.540 0.000 1.073 157 R HN 0.249 nan 8.270 nan 0.000 0.457 158 W N 4.189 125.621 121.300 0.220 0.000 2.308 158 W HA 0.055 4.715 4.660 -0.000 0.000 0.324 158 W C 0.025 176.386 176.519 -0.263 0.000 1.387 158 W CA 0.063 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 5.521 124.580 119.914 -1.425 0.000 2.806 159 V HA 0.542 4.662 4.120 -0.000 0.000 0.239 159 V C 1.081 176.201 176.094 -1.623 0.000 1.113 159 V CA 0.974 62.492 62.300 -1.304 0.000 1.137 159 V CB -0.361 30.764 31.823 -1.163 0.000 0.865 159 V HN 0.801 nan 8.190 nan 0.000 0.482 160 G N -1.676 105.944 108.800 -1.967 0.000 2.340 160 G HA2 0.462 4.422 3.960 -0.000 0.000 0.299 160 G HA3 0.462 4.422 3.960 -0.000 0.000 0.299 160 G C -2.461 172.158 174.900 -0.468 0.000 1.291 160 G CA -0.281 44.138 45.100 -1.136 0.000 0.841 160 G HN -0.017 nan 8.290 nan 0.000 0.500 161 Y N -0.542 119.646 120.300 -0.186 0.000 2.562 161 Y HA 0.727 5.277 4.550 -0.000 0.000 0.345 161 Y C -0.076 175.649 175.900 -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 1.291 nan 8.280 nan 0.000 0.463 162 G N 3.503 111.473 108.800 -1.384 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 -0.893 0.000 0.942 162 G HN 0.605 nan 8.290 nan 0.000 0.510 163 Q N -0.029 119.553 119.800 -0.363 0.000 2.496 163 Q HA 0.607 4.947 4.340 -0.000 0.000 0.286 163 Q C -1.328 174.660 176.000 -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 -0.074 120.356 120.400 0.049 0.000 4.370 164 D HA -0.098 4.542 4.640 -0.000 0.000 0.238 164 D C -0.401 175.956 176.300 0.096 0.000 1.104 164 D CA 0.550 54.596 54.000 0.077 0.000 1.101 164 D CB -0.681 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 3.110 118.883 115.700 0.122 0.000 2.500 165 S HA -0.162 4.308 4.470 -0.000 0.000 0.239 165 S C 1.696 176.416 174.600 0.199 0.000 0.989 165 S CA 1.000 59.302 58.200 0.169 0.000 0.951 165 S CB 0.024 63.315 63.200 0.151 0.000 0.759 165 S HN 0.642 nan 8.310 nan 0.000 0.523 166 R N 0.288 120.873 120.500 0.142 0.000 2.334 166 R HA 0.397 4.737 4.340 -0.000 0.000 0.212 166 R C 0.141 176.500 176.300 0.099 0.000 0.897 166 R CA 0.070 56.255 56.100 0.143 0.000 1.056 166 R CB -0.204 30.185 30.300 0.149 0.000 1.046 166 R HN 0.342 nan 8.270 nan 0.000 0.513 167 L N 1.918 123.174 121.223 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 52.151 54.840 0.011 0.000 0.820 167 L CB 2.445 44.501 42.059 -0.004 0.000 1.352 167 L HN -0.210 nan 8.230 nan 0.000 0.421 168 P HA 0.055 nan 4.420 nan 0.000 0.265 168 P C -1.056 176.228 177.300 -0.027 0.000 1.193 168 P CA -0.042 63.029 63.100 -0.047 0.000 0.765 168 P CB 0.649 32.286 31.700 -0.105 0.000 0.823 169 S N 2.067 117.811 115.700 0.073 0.000 2.449 169 S HA 0.344 4.814 4.470 -0.000 0.000 0.310 169 S C -0.349 174.262 174.600 0.018 0.000 1.096 169 S CA -0.642 57.578 58.200 0.033 0.000 1.095 169 S CB 0.919 64.245 63.200 0.209 0.000 1.007 169 S HN 0.371 nan 8.310 nan 0.000 0.474 170 E N 1.912 121.937 120.200 -0.291 0.000 2.238 170 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 170 E C -1.459 174.879 176.600 -0.438 0.000 0.887 170 E CA -0.629 55.675 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 -0.071 175.758 175.800 0.049 0.000 1.082 171 F CA -1.255 56.776 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 2.214 122.773 120.400 0.265 0.000 2.339 172 D HA 0.232 4.872 4.640 -0.000 0.000 0.256 172 D C 0.468 176.910 176.300 0.237 0.000 1.214 172 D CA 0.391 54.513 54.000 0.204 0.000 0.877 172 D CB 0.976 41.885 40.800 0.182 0.000 1.111 172 D HN 0.596 nan 8.370 nan 0.000 0.478 173 L N 2.533 123.893 121.223 0.229 0.000 2.554 173 L HA -0.038 4.302 4.340 -0.000 0.000 0.225 173 L C 2.217 179.339 176.870 0.419 0.000 1.104 173 L CA -0.085 54.925 54.840 0.283 0.000 0.866 173 L CB -0.002 42.188 42.059 0.218 0.000 1.047 173 L HN 0.321 nan 8.230 nan 0.000 0.468 174 S N 1.272 117.147 115.700 0.291 0.000 2.461 174 S HA -0.366 4.104 4.470 -0.000 0.000 0.266 174 S C 1.779 176.490 174.600 0.185 0.000 1.138 174 S CA 2.135 60.466 58.200 0.217 0.000 1.146 174 S CB -0.324 62.963 63.200 0.144 0.000 1.042 174 S HN 0.584 nan 8.310 nan 0.000 0.448 175 A N -0.934 121.988 122.820 0.171 0.000 2.307 175 A HA 0.455 4.775 4.320 -0.000 0.000 0.218 175 A C 0.929 178.388 177.584 -0.207 0.000 1.228 175 A CA 0.029 52.028 52.037 -0.065 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 -1.042 118.949 119.950 0.068 0.000 2.746 176 F HA 0.370 4.897 4.527 -0.000 0.000 0.313 176 F C 0.508 176.342 175.800 0.056 0.000 1.095 176 F CA -0.656 57.381 58.000 0.061 0.000 1.224 176 F CB -0.014 39.025 39.000 0.065 0.000 1.060 176 F HN -0.057 nan 8.300 nan 0.000 0.584 177 L N 1.986 123.371 121.223 0.270 0.000 2.397 177 L HA 0.343 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 -0.063 54.876 54.840 0.165 0.000 0.825 177 L CB 0.727 42.904 42.059 0.197 0.000 1.117 177 L HN 0.033 nan 8.230 nan 0.000 0.456 178 R N 1.464 121.974 120.500 0.018 0.000 2.787 178 R HA 0.681 5.021 4.340 -0.000 0.000 0.271 178 R C -0.541 175.735 176.300 -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 32.071 30.300 -0.044 0.000 1.155 178 R HN 0.703 nan 8.270 nan 0.000 0.486 179 A N 0.795 123.594 122.820 -0.035 0.000 2.388 179 A HA 0.562 4.882 4.320 -0.000 0.000 0.257 179 A C 0.832 178.365 177.584 -0.085 0.000 1.095 179 A CA 0.704 52.711 52.037 -0.049 0.000 0.791 179 A CB 0.128 19.109 19.000 -0.032 0.000 1.029 179 A HN 0.870 nan 8.150 nan 0.000 0.489 180 G N 1.044 109.779 108.800 -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 0.302 45.322 45.100 -0.133 0.000 0.960 180 G HN 0.977 nan 8.290 nan 0.000 0.544 181 E N 2.333 122.419 120.200 -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 0.023 56.275 56.400 -0.248 0.000 0.900 181 E CB 0.113 29.715 29.700 -0.164 0.000 1.017 181 E HN 0.368 nan 8.360 nan 0.000 0.431 182 N N 2.791 121.143 118.700 -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 2.182 40.086 38.487 -0.973 0.000 1.366 182 N HN 0.285 nan 8.380 nan 0.000 0.493 183 R N 1.540 121.944 120.500 -0.159 0.000 2.532 183 R HA 0.444 4.784 4.340 -0.000 0.000 0.297 183 R C -1.176 175.203 176.300 0.132 0.000 0.984 183 R CA -0.508 55.599 56.100 0.012 0.000 0.884 183 R CB 1.085 31.352 30.300 -0.055 0.000 1.182 183 R HN 0.489 nan 8.270 nan 0.000 0.442 184 L N 2.990 124.348 121.223 0.225 0.000 2.307 184 L HA 0.640 4.980 4.340 -0.000 0.000 0.282 184 L C -0.092 176.868 176.870 0.150 0.000 1.051 184 L CA -0.698 54.265 54.840 0.205 0.000 0.804 184 L CB 1.808 43.993 42.059 0.210 0.000 1.197 184 L HN 0.676 nan 8.230 nan 0.000 0.431 185 A N 3.680 126.593 122.820 0.155 0.000 2.375 185 A HA 0.669 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 0.054 0.000 0.747 185 A CB 1.239 19.671 19.000 -0.946 0.000 1.170 185 A HN 0.380 nan 8.150 nan 0.000 0.458 186 V N 3.530 123.926 119.914 0.802 0.000 2.347 186 V HA 0.451 4.571 4.120 -0.000 0.000 0.280 186 V C 0.132 176.716 176.094 0.818 0.000 1.021 186 V CA -0.244 62.504 62.300 0.746 0.000 0.847 186 V CB 1.204 33.310 31.823 0.471 0.000 0.990 186 V HN 0.944 nan 8.190 nan 0.000 0.444 187 M N 6.437 126.523 119.600 0.809 0.000 2.061 187 M HA 0.554 5.034 4.480 -0.000 0.000 0.346 187 M C -1.285 175.250 176.300 0.390 0.000 1.112 187 M CA -0.319 55.272 55.300 0.485 0.000 1.021 187 M CB 1.137 34.066 32.600 0.548 0.000 1.530 187 M HN 0.455 nan 8.290 nan 0.000 0.437 188 V N 6.767 126.869 119.914 0.314 0.000 2.439 188 V HA 0.416 4.536 4.120 -0.000 0.000 0.282 188 V C 0.032 176.278 176.094 0.253 0.000 1.039 188 V CA -0.743 61.742 62.300 0.307 0.000 0.913 188 V CB 1.179 33.222 31.823 0.368 0.000 0.983 188 V HN 0.791 nan 8.190 nan 0.000 0.460 189 L N 3.751 125.060 121.223 0.143 0.000 2.334 189 L HA 0.627 4.967 4.340 -0.000 0.000 0.275 189 L C 1.284 178.131 176.870 -0.038 0.000 1.036 189 L CA -0.728 54.122 54.840 0.015 0.000 0.807 189 L CB 1.318 43.267 42.059 -0.183 0.000 1.231 189 L HN 0.539 nan 8.230 nan 0.000 0.438 190 R N 1.638 122.024 120.500 -0.191 0.000 2.055 190 R HA 0.024 4.364 4.340 -0.000 0.000 0.228 190 R C -0.282 175.678 176.300 -0.567 0.000 1.143 190 R CA 1.408 57.136 56.100 -0.620 0.000 0.945 190 R CB 0.152 29.798 30.300 -1.089 0.000 0.841 190 R HN 0.613 nan 8.270 nan 0.000 0.429 191 W N 0.554 121.905 121.300 0.084 0.000 2.496 191 W HA 0.328 4.988 4.660 -0.000 0.000 0.327 191 W C -0.059 176.569 176.519 0.183 0.000 1.086 191 W CA -0.846 56.560 57.345 0.103 0.000 1.222 191 W CB 1.459 30.985 29.460 0.110 0.000 1.304 191 W HN 0.047 nan 8.180 nan 0.000 0.547 192 S N -0.899 115.087 115.700 0.478 0.000 2.688 192 S HA 0.217 4.687 4.470 -0.000 0.000 0.275 192 S C 0.148 175.000 174.600 0.420 0.000 1.175 192 S CA -0.545 57.947 58.200 0.488 0.000 0.818 192 S CB 1.296 64.747 63.200 0.419 0.000 1.157 192 S HN 0.619 nan 8.310 nan 0.000 0.482 193 D N 0.554 121.203 120.400 0.415 0.000 2.218 193 D HA 0.040 4.680 4.640 -0.000 0.000 0.204 193 D C 1.815 178.415 176.300 0.501 0.000 0.976 193 D CA 1.263 55.544 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 0.054 109.067 108.800 0.356 0.000 2.462 194 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 194 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 194 G C 1.725 176.801 174.900 0.292 0.000 1.121 194 G CA 0.838 46.120 45.100 0.303 0.000 0.758 194 G HN 0.324 nan 8.290 nan 0.000 0.559 195 S N -0.144 115.716 115.700 0.267 0.000 2.399 195 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 195 S C 1.900 176.585 174.600 0.142 0.000 1.022 195 S CA 0.761 59.080 58.200 0.197 0.000 0.983 195 S CB -0.400 62.910 63.200 0.184 0.000 0.803 195 S HN 0.566 nan 8.310 nan 0.000 0.480 196 Y N 1.019 121.422 120.300 0.171 0.000 2.483 196 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 196 Y C 1.501 177.497 175.900 0.160 0.000 1.143 196 Y CA 0.606 58.736 58.100 0.051 0.000 1.289 196 Y CB -0.165 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 -0.208 121.198 121.223 0.305 0.000 2.769 197 L HA 0.149 4.489 4.340 -0.000 0.000 0.240 197 L C 0.037 177.040 176.870 0.222 0.000 1.163 197 L CA 0.346 55.322 54.840 0.228 0.000 0.962 197 L CB 0.124 42.315 42.059 0.221 0.000 1.258 197 L HN 0.157 nan 8.230 nan 0.000 0.513 198 E N -0.296 120.050 120.200 0.244 0.000 3.646 198 E HA 0.041 4.391 4.350 -0.000 0.000 0.211 198 E C -0.454 176.252 176.600 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 0.029 nan 8.360 nan 0.000 0.447 199 D N 1.346 121.813 120.400 0.112 0.000 2.519 199 D HA 0.014 4.654 4.640 -0.000 0.000 0.238 199 D C -0.173 176.118 176.300 -0.015 0.000 1.192 199 D CA -0.003 53.950 54.000 -0.077 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 0.361 120.243 119.800 0.137 0.000 2.421 200 Q HA 0.126 4.466 4.340 -0.000 0.000 0.255 200 Q C -0.087 176.022 176.000 0.181 0.000 1.013 200 Q CA 0.035 55.985 55.803 0.244 0.000 0.895 200 Q CB 0.544 29.570 28.738 0.479 0.000 1.271 200 Q HN 0.042 nan 8.270 nan 0.000 0.460 201 D N 2.702 123.239 120.400 0.228 0.000 2.441 201 D HA 0.195 4.835 4.640 -0.000 0.000 0.243 201 D C -0.816 175.634 176.300 0.250 0.000 1.257 201 D CA 0.153 54.254 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 0.427 120.124 119.600 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 1.934 123.330 121.300 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 57.312 57.345 0.124 0.000 1.227 203 W CB 0.440 29.919 29.460 0.030 0.000 1.178 203 W HN 0.264 nan 8.180 nan 0.000 0.560 204 R N 4.827 125.497 120.500 0.283 0.000 2.205 204 R HA 0.394 4.734 4.340 -0.000 0.000 0.342 204 R C -0.154 176.171 176.300 0.042 0.000 1.058 204 R CA -0.181 56.016 56.100 0.163 0.000 0.904 204 R CB 0.099 30.547 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 -0.748 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 -1.260 114.000 115.700 -0.733 0.000 2.611 206 S HA 0.934 5.404 4.470 -0.000 0.000 0.268 206 S C -0.579 173.567 174.600 -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 0.067 108.629 108.800 -0.397 0.000 2.362 207 G HA2 0.129 4.089 3.960 -0.000 0.000 0.517 207 G HA3 0.129 4.089 3.960 -0.000 0.000 0.517 207 G C -1.402 173.486 174.900 -0.021 0.000 1.256 207 G CA -0.576 44.549 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 -0.225 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 -0.219 0.000 1.107 208 I CA -0.285 60.779 61.300 -0.392 0.000 1.219 208 I CB -0.126 37.419 38.000 -0.760 0.000 1.455 208 I HN 0.518 nan 8.210 nan 0.000 0.498 209 F N 4.105 123.920 119.950 -0.226 0.000 2.765 209 F HA 0.411 4.938 4.527 -0.000 0.000 0.302 209 F C 0.698 176.435 175.800 -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 0.565 120.658 120.500 -0.678 0.000 2.888 210 R HA 0.238 4.578 4.340 -0.000 0.000 0.264 210 R C -1.038 175.096 176.300 -0.277 0.000 1.045 210 R CA -1.150 54.704 56.100 -0.411 0.000 0.962 210 R CB 0.501 30.534 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 0.070 4.710 4.640 -0.000 0.000 0.229 211 D C -0.307 175.899 176.300 -0.158 0.000 1.159 211 D CA 0.537 54.465 54.000 -0.120 0.000 0.869 211 D CB 0.372 41.137 40.800 -0.057 0.000 1.203 211 D HN 0.063 nan 8.370 nan 0.000 0.478 212 V N 1.173 121.005 119.914 -0.137 0.000 2.487 212 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 212 V C 0.008 176.016 176.094 -0.144 0.000 1.028 212 V CA -0.518 61.657 62.300 -0.208 0.000 0.860 212 V CB 1.797 33.519 31.823 -0.169 0.000 0.991 212 V HN 0.572 nan 8.190 nan 0.000 0.427 213 S N 4.195 119.773 115.700 -0.205 0.000 2.651 213 S HA 0.802 5.272 4.470 -0.000 0.000 0.279 213 S C -1.184 173.368 174.600 -0.081 0.000 1.148 213 S CA -0.716 57.426 58.200 -0.097 0.000 0.837 213 S CB 2.028 65.198 63.200 -0.049 0.000 1.138 213 S HN 0.522 nan 8.310 nan 0.000 0.478 214 L N 1.888 123.132 121.223 0.036 0.000 2.386 214 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 214 L C -1.515 175.463 176.870 0.181 0.000 0.993 214 L CA -0.751 54.175 54.840 0.143 0.000 0.819 214 L CB 1.811 44.056 42.059 0.309 0.000 1.294 214 L HN 0.504 nan 8.230 nan 0.000 0.414 215 L N 2.297 123.578 121.223 0.097 0.000 2.410 215 L HA 0.502 4.842 4.340 -0.000 0.000 0.270 215 L C -1.090 175.665 176.870 -0.191 0.000 0.983 215 L CA -0.264 54.560 54.840 -0.027 0.000 0.822 215 L CB 1.732 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 3.906 122.635 119.070 -0.568 0.000 2.541 216 H HA 0.576 5.132 4.556 -0.000 0.000 0.316 216 H C -1.180 173.856 175.328 -0.486 0.000 1.043 216 H CA -0.186 55.368 56.048 -0.823 0.000 1.232 216 H CB 0.944 29.621 29.762 -1.809 0.000 1.406 216 H HN 0.624 nan 8.280 nan 0.000 0.469 217 K N 5.450 125.362 120.400 -0.814 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 0.193 177.363 177.300 -0.216 0.000 1.233 218 P CA -0.131 62.813 63.100 -0.260 0.000 0.789 218 P CB 0.484 32.086 31.700 -0.163 0.000 0.951 219 T N -2.604 111.862 114.554 -0.147 0.000 2.867 219 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 219 T C 0.672 175.303 174.700 -0.115 0.000 1.057 219 T CA 1.268 63.300 62.100 -0.114 0.000 1.136 219 T CB -0.807 68.019 68.868 -0.071 0.000 0.874 219 T HN 0.318 nan 8.240 nan 0.000 0.466 220 T N 3.404 117.889 114.554 -0.115 0.000 2.853 220 T HA 0.437 4.787 4.350 -0.000 0.000 0.317 220 T C -0.281 174.334 174.700 -0.143 0.000 1.059 220 T CA -0.794 61.229 62.100 -0.128 0.000 0.954 220 T CB 0.671 69.474 68.868 -0.108 0.000 0.994 220 T HN 0.583 nan 8.240 nan 0.000 0.479 221 Q N 2.509 122.208 119.800 -0.168 0.000 2.605 221 Q HA 0.626 4.966 4.340 -0.000 0.000 0.296 221 Q C -0.961 174.930 176.000 -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 2.561 122.997 120.570 -0.222 0.000 2.436 222 I HA -0.001 4.169 4.170 -0.000 0.000 0.289 222 I C 0.680 176.629 176.117 -0.281 0.000 1.083 222 I CA 0.054 61.240 61.300 -0.189 0.000 1.372 222 I CB 0.998 38.852 38.000 -0.243 0.000 1.408 222 I HN 0.830 nan 8.210 nan 0.000 0.516 223 S N 2.843 118.497 115.700 -0.076 0.000 2.502 223 S HA 0.185 4.655 4.470 -0.000 0.000 0.215 223 S C 0.178 174.967 174.600 0.315 0.000 1.009 223 S CA -0.253 57.962 58.200 0.025 0.000 0.908 223 S CB 0.316 63.525 63.200 0.015 0.000 0.801 223 S HN 0.713 nan 8.310 nan 0.000 0.505 224 D N -0.335 120.260 120.400 0.325 0.000 2.720 224 D HA 0.503 5.143 4.640 -0.000 0.000 0.239 224 D C -1.833 174.676 176.300 0.349 0.000 1.218 224 D CA -0.735 53.503 54.000 0.395 0.000 0.748 224 D CB 1.473 42.396 40.800 0.205 0.000 1.387 224 D HN 0.220 nan 8.370 nan 0.000 0.438 225 F N -0.380 119.619 119.950 0.082 0.000 2.665 225 F HA 0.670 5.197 4.527 -0.000 0.000 0.308 225 F C -1.637 174.216 175.800 0.088 0.000 1.112 225 F CA -0.737 57.234 58.000 -0.049 0.000 0.972 225 F CB 1.313 40.342 39.000 0.047 0.000 1.295 225 F HN 0.303 nan 8.300 nan 0.000 0.440 226 H N 1.525 120.590 119.070 -0.009 0.000 2.768 226 H HA 0.783 5.339 4.556 -0.000 0.000 0.371 226 H C -1.425 173.889 175.328 -0.023 0.000 1.151 226 H CA -1.540 54.437 56.048 -0.118 0.000 1.165 226 H CB 2.748 32.463 29.762 -0.078 0.000 1.722 226 H HN 0.651 nan 8.280 nan 0.000 0.543 227 V N 1.326 121.285 119.914 0.075 0.000 2.715 227 V HA 0.808 4.928 4.120 -0.000 0.000 0.310 227 V C -0.712 175.360 176.094 -0.036 0.000 1.054 227 V CA -0.440 61.872 62.300 0.019 0.000 0.928 227 V CB 1.684 33.498 31.823 -0.015 0.000 1.007 227 V HN 0.965 nan 8.190 nan 0.000 0.437 228 A N 2.426 125.206 122.820 -0.067 0.000 2.520 228 A HA 0.841 5.161 4.320 -0.000 0.000 0.298 228 A C -0.486 177.011 177.584 -0.145 0.000 1.051 228 A CA -0.338 51.649 52.037 -0.085 0.000 0.690 228 A CB 2.082 21.056 19.000 -0.044 0.000 1.281 228 A HN 0.927 nan 8.150 nan 0.000 0.402 229 T N 0.026 114.487 114.554 -0.155 0.000 2.812 229 T HA 0.778 5.128 4.350 -0.000 0.000 0.282 229 T C -0.394 174.155 174.700 -0.253 0.000 0.990 229 T CA -0.664 61.280 62.100 -0.260 0.000 0.960 229 T CB 1.151 69.829 68.868 -0.316 0.000 0.948 229 T HN 0.694 nan 8.240 nan 0.000 0.438 230 R N 1.786 122.048 120.500 -0.396 0.000 2.711 230 R HA 0.774 5.114 4.340 -0.000 0.000 0.284 230 R C -1.180 174.753 176.300 -0.612 0.000 0.968 230 R CA -0.730 55.197 56.100 -0.290 0.000 0.924 230 R CB 1.557 31.784 30.300 -0.121 0.000 1.162 230 R HN 0.561 nan 8.270 nan 0.000 0.465 231 F N 0.228 120.185 119.950 0.011 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.416 176.108 175.800 -0.180 0.000 1.067 231 F CA -1.191 56.766 58.000 -0.073 0.000 0.969 231 F CB 0.932 39.825 39.000 -0.178 0.000 1.332 231 F HN 0.510 nan 8.300 nan 0.000 0.490 232 N N -0.023 118.679 118.700 0.003 0.000 2.405 232 N HA 0.087 4.827 4.740 -0.000 0.000 0.269 232 N C 0.587 175.954 175.510 -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 -0.621 119.680 120.400 -0.166 0.000 2.170 233 D HA -0.288 4.352 4.640 -0.000 0.000 0.193 233 D C 0.388 176.553 176.300 -0.226 0.000 1.004 233 D CA 2.074 55.971 54.000 -0.171 0.000 0.860 233 D CB -0.512 40.249 40.800 -0.065 0.000 0.931 233 D HN 0.761 nan 8.370 nan 0.000 0.448 234 D N -1.820 118.493 120.400 -0.145 0.000 2.431 234 D HA 0.010 4.650 4.640 -0.000 0.000 0.213 234 D C 0.395 176.800 176.300 0.175 0.000 1.130 234 D CA -0.708 53.310 54.000 0.032 0.000 0.834 234 D CB -1.009 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 0.276 120.285 119.950 0.099 0.000 2.953 235 F HA -0.301 4.226 4.527 -0.000 0.000 0.292 235 F C 1.685 177.570 175.800 0.141 0.000 0.747 235 F CA 0.774 58.856 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 -0.730 115.081 115.700 0.186 0.000 2.527 236 S HA 0.161 4.631 4.470 -0.000 0.000 0.222 236 S C 0.656 175.308 174.600 0.086 0.000 0.985 236 S CA 0.526 58.800 58.200 0.124 0.000 0.921 236 S CB 0.406 63.653 63.200 0.077 0.000 0.772 236 S HN 0.526 nan 8.310 nan 0.000 0.529 237 R N -0.151 120.408 120.500 0.098 0.000 2.584 237 R HA 0.688 5.028 4.340 -0.000 0.000 0.276 237 R C -1.604 174.710 176.300 0.022 0.000 1.046 237 R CA -0.104 56.015 56.100 0.032 0.000 0.906 237 R CB 1.804 32.106 30.300 0.004 0.000 1.215 237 R HN 0.264 nan 8.270 nan 0.000 0.449 238 A N 2.468 125.242 122.820 -0.077 0.000 2.479 238 A HA 0.781 5.101 4.320 -0.000 0.000 0.296 238 A C -1.491 176.003 177.584 -0.149 0.000 1.121 238 A CA -0.638 51.275 52.037 -0.207 0.000 0.743 238 A CB 2.191 21.028 19.000 -0.272 0.000 1.323 238 A HN 0.368 nan 8.150 nan 0.000 0.415 239 V N 1.217 121.024 119.914 -0.178 0.000 2.525 239 V HA 0.430 4.550 4.120 -0.000 0.000 0.299 239 V C -0.937 175.107 176.094 -0.083 0.000 1.034 239 V CA -0.366 61.874 62.300 -0.100 0.000 0.863 239 V CB 1.326 33.088 31.823 -0.102 0.000 0.999 239 V HN 0.848 nan 8.190 nan 0.000 0.423 240 L N 4.671 125.880 121.223 -0.023 0.000 2.292 240 L HA 0.659 4.999 4.340 -0.000 0.000 0.284 240 L C -0.092 176.741 176.870 -0.060 0.000 1.065 240 L CA 0.444 55.248 54.840 -0.059 0.000 0.806 240 L CB 1.257 43.303 42.059 -0.021 0.000 1.175 240 L HN 0.846 nan 8.230 nan 0.000 0.431 241 E N 4.736 124.895 120.200 -0.068 0.000 2.218 241 E HA 0.731 5.080 4.350 -0.000 0.000 0.263 241 E C -1.746 174.843 176.600 -0.018 0.000 0.879 241 E CA -0.839 55.536 56.400 -0.042 0.000 0.762 241 E CB 1.548 31.222 29.700 -0.043 0.000 1.166 241 E HN 0.848 nan 8.360 nan 0.000 0.415 242 A N 4.360 127.177 122.820 -0.006 0.000 2.331 242 A HA 0.475 4.795 4.320 -0.000 0.000 0.320 242 A C -0.853 176.735 177.584 0.006 0.000 1.138 242 A CA -0.711 51.345 52.037 0.031 0.000 0.790 242 A CB 1.353 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 2.222 122.426 120.200 0.008 0.000 2.176 243 E HA 0.604 4.954 4.350 -0.000 0.000 0.267 243 E C -1.648 174.906 176.600 -0.078 0.000 0.893 243 E CA -0.518 55.844 56.400 -0.063 0.000 0.761 243 E CB 1.663 31.302 29.700 -0.101 0.000 1.133 243 E HN 0.388 nan 8.360 nan 0.000 0.409 244 V N 4.127 124.009 119.914 -0.053 0.000 2.604 244 V HA 0.374 4.494 4.120 -0.000 0.000 0.305 244 V C -0.523 175.615 176.094 0.075 0.000 1.043 244 V CA -0.787 61.522 62.300 0.015 0.000 0.888 244 V CB 1.682 33.494 31.823 -0.019 0.000 0.995 244 V HN 0.753 nan 8.190 nan 0.000 0.429 245 Q N 4.009 123.870 119.800 0.101 0.000 2.377 245 Q HA 0.842 5.182 4.340 -0.000 0.000 0.271 245 Q C -0.879 175.189 176.000 0.113 0.000 1.077 245 Q CA -0.881 54.995 55.803 0.121 0.000 0.820 245 Q CB 2.850 31.591 28.738 0.006 0.000 1.347 245 Q HN 0.842 nan 8.270 nan 0.000 0.444 246 M N -0.989 118.615 119.600 0.008 0.000 2.662 246 M HA 0.769 5.249 4.480 -0.000 0.000 0.310 246 M C -1.341 174.853 176.300 -0.177 0.000 1.204 246 M CA -0.462 54.744 55.300 -0.156 0.000 0.891 246 M CB 2.069 34.394 32.600 -0.460 0.000 1.732 246 M HN 0.556 nan 8.290 nan 0.000 0.467 247 C N 1.574 120.774 119.300 -0.166 0.000 2.561 247 C HA 1.016 5.476 4.460 -0.000 0.000 0.319 247 C C 0.657 175.551 174.990 -0.161 0.000 1.198 247 C CA 0.927 59.864 59.018 -0.135 0.000 1.665 247 C CB 0.875 28.556 27.740 -0.098 0.000 2.258 247 C HN 1.322 nan 8.230 nan 0.000 0.493 248 G N 3.467 112.186 108.800 -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 -1.173 173.646 174.900 -0.136 0.000 1.243 248 G CA -0.118 44.904 45.100 -0.130 0.000 1.083 248 G HN 0.903 nan 8.290 nan 0.000 0.500 249 E N 0.605 120.728 120.200 -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 1.096 30.753 29.700 -0.071 0.000 1.077 249 E HN 0.663 nan 8.360 nan 0.000 0.397 250 L N 4.429 125.539 121.223 -0.188 0.000 2.418 250 L HA 0.277 4.617 4.340 -0.000 0.000 0.274 250 L C -0.036 176.714 176.870 -0.200 0.000 1.135 250 L CA 0.024 54.723 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 2.776 123.098 120.500 -0.298 0.000 2.725 251 R HA 0.164 4.504 4.340 -0.000 0.000 0.277 251 R C 0.099 176.164 176.300 -0.390 0.000 0.987 251 R CA -0.656 55.234 56.100 -0.349 0.000 0.901 251 R CB 1.649 31.558 30.300 -0.653 0.000 1.207 251 R HN 0.641 nan 8.270 nan 0.000 0.463 252 D N 1.268 121.555 120.400 -0.188 0.000 2.378 252 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 252 D C 1.021 177.296 176.300 -0.043 0.000 0.980 252 D CA 1.199 55.158 54.000 -0.070 0.000 0.907 252 D CB -0.011 40.803 40.800 0.024 0.000 0.899 252 D HN 0.678 nan 8.370 nan 0.000 0.527 253 Y N -0.149 120.161 120.300 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 -0.874 57.234 58.100 0.015 0.000 1.285 253 Y CB -0.475 37.995 38.460 0.015 0.000 1.078 253 Y HN -0.230 nan 8.280 nan 0.000 0.523 254 L N 2.892 123.925 121.223 -0.317 0.000 2.461 254 L HA 0.283 4.623 4.340 -0.000 0.000 0.272 254 L C 0.256 177.074 176.870 -0.086 0.000 1.197 254 L CA 0.074 54.821 54.840 -0.154 0.000 0.836 254 L CB 0.433 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 1.933 122.288 120.500 -0.240 0.000 2.799 255 R HA 0.736 5.076 4.340 -0.000 0.000 0.270 255 R C -1.532 174.445 176.300 -0.538 0.000 1.010 255 R CA -0.823 55.021 56.100 -0.428 0.000 0.916 255 R CB 2.305 32.276 30.300 -0.548 0.000 1.228 255 R HN 0.286 nan 8.270 nan 0.000 0.469 256 V N 0.757 120.420 119.914 -0.418 0.000 2.709 256 V HA 0.521 4.641 4.120 -0.000 0.000 0.308 256 V C -0.537 175.503 176.094 -0.090 0.000 1.062 256 V CA -0.571 61.564 62.300 -0.274 0.000 0.901 256 V CB 2.433 34.022 31.823 -0.390 0.000 1.003 256 V HN 0.771 nan 8.190 nan 0.000 0.425 257 T N 3.513 118.100 114.554 0.055 0.000 2.861 257 T HA 0.689 5.039 4.350 -0.000 0.000 0.287 257 T C -0.908 173.802 174.700 0.016 0.000 1.003 257 T CA -0.463 61.682 62.100 0.076 0.000 0.977 257 T CB 1.905 70.875 68.868 0.170 0.000 0.996 257 T HN 0.362 nan 8.240 nan 0.000 0.448 258 V N 3.212 123.120 119.914 -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 5.095 120.805 115.700 0.016 0.000 2.536 259 S HA 0.864 5.334 4.470 -0.000 0.000 0.287 259 S C -1.091 173.492 174.600 -0.029 0.000 1.101 259 S CA -0.754 57.410 58.200 -0.061 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 2.076 123.175 121.223 -0.207 0.000 2.356 260 L HA 0.779 5.119 4.340 -0.000 0.000 0.277 260 L C -2.031 174.718 176.870 -0.202 0.000 0.996 260 L CA -0.304 54.511 54.840 -0.041 0.000 0.822 260 L CB 0.843 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 3.192 124.594 121.300 0.170 0.000 2.736 261 W HA 0.569 5.229 4.660 -0.000 0.000 0.335 261 W C -0.521 176.113 176.519 0.193 0.000 1.059 261 W CA -0.535 56.899 57.345 0.149 0.000 1.226 261 W CB 1.588 31.089 29.460 0.068 0.000 1.416 261 W HN 0.460 nan 8.180 nan 0.000 0.505 262 Q N 2.475 122.493 119.800 0.364 0.000 2.626 262 Q HA 0.490 4.830 4.340 -0.000 0.000 0.239 262 Q C 0.766 176.833 176.000 0.113 0.000 1.101 262 Q CA 0.684 56.547 55.803 0.100 0.000 0.918 262 Q CB 0.202 28.939 28.738 -0.001 0.000 1.151 262 Q HN 0.747 nan 8.270 nan 0.000 0.531 263 G N 2.433 111.300 108.800 0.111 0.000 2.950 263 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.299 263 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.299 263 G C 0.695 175.658 174.900 0.105 0.000 1.310 263 G CA 0.332 45.470 45.100 0.063 0.000 0.994 263 G HN 0.515 nan 8.290 nan 0.000 0.575 264 E N 1.315 121.588 120.200 0.122 0.000 2.307 264 E HA 0.215 4.565 4.350 -0.000 0.000 0.195 264 E C 1.276 178.080 176.600 0.341 0.000 0.975 264 E CA 0.983 57.468 56.400 0.142 0.000 0.878 264 E CB -0.058 29.686 29.700 0.073 0.000 0.845 264 E HN 0.524 nan 8.360 nan 0.000 0.488 265 T N 1.626 116.359 114.554 0.298 0.000 2.869 265 T HA 0.154 4.504 4.350 -0.000 0.000 0.295 265 T C 0.222 175.039 174.700 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 2.818 122.522 119.800 -0.159 0.000 2.296 266 Q HA 0.299 4.639 4.340 -0.000 0.000 0.257 266 Q C 0.176 175.941 176.000 -0.392 0.000 0.942 266 Q CA -0.487 54.828 55.803 -0.813 0.000 0.939 266 Q CB 0.917 28.868 28.738 -1.313 0.000 1.198 266 Q HN 0.558 nan 8.270 nan 0.000 0.429 267 V N 2.711 122.431 119.914 -0.322 0.000 2.685 267 V HA 0.298 4.418 4.120 -0.000 0.000 0.244 267 V C 0.415 176.414 176.094 -0.159 0.000 1.054 267 V CA 1.138 63.357 62.300 -0.135 0.000 1.076 267 V CB 0.158 31.999 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 20.729 19.000 -0.110 0.000 1.278 268 A HN 0.008 nan 8.150 nan 0.000 0.412 269 S N -1.172 114.441 115.700 -0.144 0.000 2.556 269 S HA 0.870 5.340 4.470 -0.000 0.000 0.271 269 S C -0.520 174.035 174.600 -0.074 0.000 1.135 269 S CA 0.148 58.278 58.200 -0.116 0.000 0.858 269 S CB 1.948 65.075 63.200 -0.122 0.000 1.114 269 S HN 2.266 nan 8.310 nan 0.000 0.468 270 G N 1.338 110.105 108.800 -0.055 0.000 2.759 270 G HA2 0.590 4.550 3.960 -0.000 0.000 0.297 270 G HA3 0.590 4.550 3.960 -0.000 0.000 0.297 270 G C -1.485 173.396 174.900 -0.031 0.000 1.434 270 G CA -0.349 44.724 45.100 -0.045 0.000 0.980 270 G HN 0.646 nan 8.290 nan 0.000 0.531 271 T N 0.050 114.588 114.554 -0.026 0.000 2.876 271 T HA 0.885 5.235 4.350 -0.000 0.000 0.289 271 T C -0.160 174.509 174.700 -0.051 0.000 1.014 271 T CA 0.127 62.220 62.100 -0.013 0.000 0.986 271 T CB 1.769 70.664 68.868 0.045 0.000 1.021 271 T HN 1.654 nan 8.240 nan 0.000 0.458 272 A N 3.599 126.358 122.820 -0.103 0.000 2.566 272 A HA 0.900 5.220 4.320 -0.000 0.000 0.290 272 A C -3.220 174.231 177.584 -0.222 0.000 1.071 272 A CA -1.460 50.496 52.037 -0.136 0.000 0.658 272 A CB 1.247 20.165 19.000 -0.136 0.000 1.285 272 A HN 0.524 nan 8.150 nan 0.000 0.427 273 P HA 0.631 nan 4.420 nan 0.000 0.287 273 P C -0.710 176.475 177.300 -0.191 0.000 1.279 273 P CA -0.451 62.559 63.100 -0.151 0.000 0.867 273 P CB 0.486 32.160 31.700 -0.044 0.000 1.127 274 F N 0.772 120.672 119.950 -0.082 0.000 2.539 274 F HA 0.406 4.933 4.527 -0.000 0.000 0.340 274 F C 1.586 177.365 175.800 -0.037 0.000 1.185 274 F CA 1.890 59.853 58.000 -0.062 0.000 1.333 274 F CB -0.087 38.869 39.000 -0.074 0.000 1.152 274 F HN 0.600 nan 8.300 nan 0.000 0.602 275 G N 1.344 110.264 108.800 0.200 0.000 3.393 275 G HA2 0.350 4.310 3.960 -0.000 0.000 0.676 275 G HA3 0.350 4.310 3.960 -0.000 0.000 0.676 275 G C -0.433 174.513 174.900 0.076 0.000 1.224 275 G CA -0.793 44.380 45.100 0.121 0.000 1.109 275 G HN 1.052 nan 8.290 nan 0.000 0.519 276 G N 0.624 109.488 108.800 0.107 0.000 2.588 276 G HA2 0.674 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 -0.941 119.290 120.200 0.052 0.000 2.374 277 E HA 0.310 4.660 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 -0.480 55.939 56.400 0.032 0.000 0.907 277 E CB 0.816 30.532 29.700 0.027 0.000 1.014 277 E HN 0.218 nan 8.360 nan 0.000 0.427 278 I N 2.477 123.054 120.570 0.013 0.000 2.683 278 I HA -0.080 4.090 4.170 -0.000 0.000 0.286 278 I C 1.221 177.342 176.117 0.007 0.000 1.175 278 I CA 0.607 61.907 61.300 -0.000 0.000 1.429 278 I CB 0.155 38.151 38.000 -0.007 0.000 1.371 278 I HN 0.622 nan 8.210 nan 0.000 0.569 279 I N 1.759 122.325 120.570 -0.006 0.000 3.883 279 I HA 0.315 4.485 4.170 -0.000 0.000 0.305 279 I C -0.259 175.855 176.117 -0.006 0.000 1.247 279 I CA 0.316 61.623 61.300 0.011 0.000 1.350 279 I CB 0.386 38.415 38.000 0.049 0.000 1.194 279 I HN 0.636 nan 8.210 nan 0.000 0.441 280 D N -0.014 120.370 120.400 -0.027 0.000 2.921 280 D HA 0.180 4.820 4.640 -0.000 0.000 0.329 280 D C 0.275 176.557 176.300 -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 -0.881 119.305 120.200 -0.024 0.000 2.267 281 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 281 E C 1.452 178.032 176.600 -0.032 0.000 0.998 281 E CA 1.008 57.394 56.400 -0.023 0.000 0.830 281 E CB -0.051 29.638 29.700 -0.018 0.000 0.751 281 E HN 0.246 nan 8.360 nan 0.000 0.491 282 R N -0.499 119.974 120.500 -0.046 0.000 2.300 282 R HA 0.251 4.591 4.340 -0.000 0.000 0.199 282 R C 0.769 177.026 176.300 -0.070 0.000 0.920 282 R CA 0.661 56.727 56.100 -0.056 0.000 1.046 282 R CB 0.798 31.060 30.300 -0.064 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.489 108.268 108.800 -0.072 0.000 2.295 283 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.195 283 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.195 283 G C -0.509 174.330 174.900 -0.102 0.000 1.269 283 G CA -0.651 44.405 45.100 -0.074 0.000 1.170 283 G HN 0.381 nan 8.290 nan 0.000 0.511 284 G N -1.828 106.907 108.800 -0.108 0.000 3.140 284 G HA2 0.650 4.610 3.960 -0.000 0.000 0.271 284 G HA3 0.650 4.610 3.960 -0.000 0.000 0.271 284 G C -1.537 173.237 174.900 -0.210 0.000 1.370 284 G CA -0.804 44.228 45.100 -0.112 0.000 1.014 284 G HN 0.711 nan 8.290 nan 0.000 0.541 285 Y N 0.688 121.000 120.300 0.020 0.000 2.404 285 Y HA 0.417 4.967 4.550 -0.000 0.000 0.344 285 Y C 1.410 177.334 175.900 0.039 0.000 0.995 285 Y CA 0.189 58.305 58.100 0.026 0.000 1.201 285 Y CB 1.864 40.346 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 1.239 178.902 177.584 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 0.161 4.801 4.640 -0.000 0.000 0.232 287 D C 0.326 176.758 176.300 0.220 0.000 1.198 287 D CA -0.111 53.899 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 -1.041 119.696 120.500 0.396 0.000 2.781 288 R HA 0.754 5.094 4.340 -0.000 0.000 0.269 288 R C -1.600 174.825 176.300 0.209 0.000 1.025 288 R CA -1.228 55.063 56.100 0.318 0.000 0.914 288 R CB 2.741 33.088 30.300 0.078 0.000 1.236 288 R HN -0.015 nan 8.270 nan 0.000 0.465 289 V N 0.163 120.076 119.914 -0.003 0.000 3.000 289 V HA 0.498 4.618 4.120 -0.000 0.000 0.300 289 V C -1.597 174.426 176.094 -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 -0.395 0.000 1.065 289 V HN 0.831 nan 8.190 nan 0.000 0.431 290 T N 7.451 121.955 114.554 -0.084 0.000 2.792 290 T HA 0.727 5.077 4.350 -0.000 0.000 0.280 290 T C -0.713 173.946 174.700 -0.069 0.000 0.990 290 T CA -0.208 61.853 62.100 -0.065 0.000 0.960 290 T CB 1.169 70.016 68.868 -0.034 0.000 0.939 290 T HN 0.534 nan 8.240 nan 0.000 0.439 291 L N 3.059 124.242 121.223 -0.066 0.000 2.330 291 L HA 0.640 4.980 4.340 -0.000 0.000 0.271 291 L C 0.408 177.250 176.870 -0.046 0.000 1.013 291 L CA -0.736 54.067 54.840 -0.061 0.000 0.816 291 L CB 1.441 43.459 42.059 -0.068 0.000 1.287 291 L HN 0.372 nan 8.230 nan 0.000 0.435 292 R N 3.222 123.695 120.500 -0.045 0.000 2.435 292 R HA 0.608 4.948 4.340 -0.000 0.000 0.308 292 R C -1.530 174.744 176.300 -0.044 0.000 0.975 292 R CA -0.607 55.468 56.100 -0.043 0.000 0.867 292 R CB 1.328 31.604 30.300 -0.041 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.829 124.027 121.223 -0.041 0.000 2.307 293 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 293 L C -0.025 176.819 176.870 -0.043 0.000 1.023 293 L CA -1.086 53.728 54.840 -0.043 0.000 0.810 293 L CB 1.331 43.365 42.059 -0.041 0.000 1.231 293 L HN 0.425 nan 8.230 nan 0.000 0.423 294 N N 2.354 121.023 118.700 -0.053 0.000 2.479 294 N HA 0.445 5.185 4.740 -0.000 0.000 0.285 294 N C -0.864 174.599 175.510 -0.078 0.000 1.075 294 N CA -0.308 52.705 53.050 -0.061 0.000 0.967 294 N CB 2.768 41.221 38.487 -0.056 0.000 1.137 294 N HN 0.221 nan 8.380 nan 0.000 0.472 295 V N 1.861 121.710 119.914 -0.107 0.000 2.525 295 V HA 0.218 4.338 4.120 -0.000 0.000 0.299 295 V C -0.099 175.908 176.094 -0.145 0.000 1.034 295 V CA -0.843 61.359 62.300 -0.163 0.000 0.863 295 V CB 2.102 33.732 31.823 -0.323 0.000 0.999 295 V HN 0.510 nan 8.190 nan 0.000 0.423 296 E N 3.674 123.814 120.200 -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 -0.498 55.866 56.400 -0.060 0.000 0.827 296 E CB 0.845 30.524 29.700 -0.034 0.000 1.101 296 E HN 0.669 nan 8.360 nan 0.000 0.393 297 N N 1.666 120.355 118.700 -0.018 0.000 2.688 297 N HA -0.115 4.625 4.740 -0.000 0.000 0.258 297 N C -2.340 173.163 175.510 -0.012 0.000 1.016 297 N CA 0.375 53.431 53.050 0.009 0.000 0.747 297 N CB -1.172 37.325 38.487 0.018 0.000 0.895 297 N HN 0.369 nan 8.380 nan 0.000 0.543 298 P HA 0.096 nan 4.420 nan 0.000 0.270 298 P C -0.015 177.299 177.300 0.024 0.000 1.223 298 P CA 0.286 63.269 63.100 -0.195 0.000 0.785 298 P CB 0.820 32.152 31.700 -0.614 0.000 0.923 299 K N 1.541 122.046 120.400 0.176 0.000 2.234 299 K HA 0.378 4.698 4.320 -0.000 0.000 0.277 299 K C -0.068 176.699 176.600 0.277 0.000 1.038 299 K CA -0.506 55.892 56.287 0.185 0.000 0.888 299 K CB 0.431 33.016 32.500 0.141 0.000 1.091 299 K HN 0.386 nan 8.250 nan 0.000 0.467 300 L N 2.573 123.885 121.223 0.148 0.000 2.395 300 L HA 0.296 4.636 4.340 -0.000 0.000 0.269 300 L C -0.074 176.875 176.870 0.131 0.000 1.133 300 L CA -0.689 54.239 54.840 0.146 0.000 0.812 300 L CB 0.398 42.388 42.059 -0.114 0.000 1.125 300 L HN 0.597 nan 8.230 nan 0.000 0.452 301 W N 3.193 124.517 121.300 0.041 0.000 2.376 301 W HA 0.477 5.137 4.660 -0.000 0.000 0.322 301 W C 0.088 176.543 176.519 -0.105 0.000 1.160 301 W CA 0.113 57.462 57.345 0.005 0.000 1.218 301 W CB 1.356 30.865 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 0.632 5.102 4.470 -0.000 0.000 0.269 302 S C -0.007 173.826 174.600 -1.277 0.000 1.161 302 S CA -0.336 57.362 58.200 -0.836 0.000 0.817 302 S CB 1.091 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 0.391 122.643 122.820 -0.946 0.000 2.066 303 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 303 A C 1.700 178.968 177.584 -0.526 0.000 1.157 303 A CA 1.240 52.715 52.037 -0.937 0.000 0.670 303 A CB -0.848 17.473 19.000 -1.131 0.000 0.804 303 A HN 0.869 nan 8.150 nan 0.000 0.453 304 E N -0.774 119.243 120.200 -0.304 0.000 2.112 304 E HA 0.085 4.435 4.350 -0.000 0.000 0.190 304 E C -0.288 176.178 176.600 -0.223 0.000 0.979 304 E CA 0.680 56.969 56.400 -0.185 0.000 0.814 304 E CB 0.076 29.795 29.700 0.032 0.000 0.762 304 E HN 0.590 nan 8.360 nan 0.000 0.460 305 I N 1.417 121.809 120.570 -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 -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.081 nan 4.420 nan 0.000 0.226 306 P C -0.582 176.705 177.300 -0.022 0.000 1.783 306 P CA -0.159 62.647 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 1.877 120.588 118.700 0.017 0.000 2.468 307 N HA 0.120 4.860 4.740 -0.000 0.000 0.265 307 N C 0.134 175.870 175.510 0.376 0.000 1.199 307 N CA 0.357 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 4.866 4.340 -0.000 0.000 0.265 308 L C -0.802 176.156 176.870 0.147 0.000 1.012 308 L CA -0.890 54.116 54.840 0.278 0.000 0.820 308 L CB 1.153 43.338 42.059 0.211 0.000 1.334 308 L HN 0.390 nan 8.230 nan 0.000 0.427 309 Y N -0.079 120.348 120.300 0.211 0.000 2.602 309 Y HA 0.577 5.127 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 1.187 121.923 120.500 0.394 0.000 2.445 310 R HA 0.860 5.200 4.340 -0.000 0.000 0.308 310 R C -1.515 174.989 176.300 0.340 0.000 0.961 310 R CA -0.618 55.652 56.100 0.283 0.000 0.862 310 R CB 1.044 31.429 30.300 0.141 0.000 1.144 310 R HN 0.793 nan 8.270 nan 0.000 0.447 311 A N 3.756 126.716 122.820 0.232 0.000 2.343 311 A HA 0.613 4.933 4.320 -0.000 0.000 0.316 311 A C -1.188 176.478 177.584 0.138 0.000 1.104 311 A CA -0.644 51.520 52.037 0.212 0.000 0.768 311 A CB 1.594 20.689 19.000 0.159 0.000 1.213 311 A HN 0.459 nan 8.150 nan 0.000 0.456 312 V N 2.386 122.389 119.914 0.149 0.000 2.540 312 V HA 0.525 4.645 4.120 -0.000 0.000 0.302 312 V C -0.448 175.643 176.094 -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 33.451 31.823 0.076 0.000 0.992 312 V HN 0.620 nan 8.190 nan 0.000 0.428 313 V N 4.723 124.573 119.914 -0.106 0.000 2.350 313 V HA 0.465 4.585 4.120 -0.000 0.000 0.285 313 V C -0.174 175.873 176.094 -0.079 0.000 1.014 313 V CA -0.545 61.667 62.300 -0.146 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 5.305 126.583 121.223 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 55.031 54.840 0.061 0.000 0.816 315 L CB -0.128 41.949 42.059 0.028 0.000 1.191 315 L HN 0.686 nan 8.230 nan 0.000 0.431 316 H N 1.242 120.339 119.070 0.045 0.000 2.942 316 H HA 0.614 5.170 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 -2.619 112.093 114.554 0.262 0.000 2.927 317 T HA 0.528 4.878 4.350 -0.000 0.000 0.281 317 T C 1.479 176.358 174.700 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 1.193 124.160 122.820 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 1.830 53.981 52.037 0.189 0.000 0.636 318 A CB -1.071 18.024 19.000 0.159 0.000 0.810 318 A HN 0.999 nan 8.150 nan 0.000 0.448 319 D N -1.900 118.581 120.400 0.134 0.000 2.178 319 D HA 0.067 4.707 4.640 -0.000 0.000 0.201 319 D C 1.330 177.676 176.300 0.077 0.000 0.980 319 D CA 1.391 55.438 54.000 0.079 0.000 0.842 319 D CB -0.316 40.508 40.800 0.039 0.000 0.948 319 D HN 0.843 nan 8.370 nan 0.000 0.472 320 G N -0.075 108.798 108.800 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 0.243 175.161 174.900 0.030 0.000 1.006 320 G CA 0.035 45.159 45.100 0.039 0.000 0.684 320 G HN 0.328 nan 8.290 nan 0.000 0.489 321 T N 2.043 116.652 114.554 0.092 0.000 2.769 321 T HA 0.427 4.777 4.350 -0.000 0.000 0.293 321 T C 0.589 175.364 174.700 0.125 0.000 0.931 321 T CA -0.005 62.144 62.100 0.083 0.000 1.139 321 T CB 1.093 70.007 68.868 0.076 0.000 0.881 321 T HN 0.399 nan 8.240 nan 0.000 0.532 322 L N 5.020 126.294 121.223 0.084 0.000 2.360 322 L HA 0.205 4.545 4.340 -0.000 0.000 0.276 322 L C 0.695 177.622 176.870 0.095 0.000 1.121 322 L CA -0.353 54.549 54.840 0.104 0.000 0.845 322 L CB 0.439 42.532 42.059 0.056 0.000 1.143 322 L HN 0.641 nan 8.230 nan 0.000 0.452 323 I N 3.489 124.121 120.570 0.102 0.000 2.339 323 I HA 0.028 4.198 4.170 -0.000 0.000 0.245 323 I C 0.610 176.741 176.117 0.023 0.000 1.096 323 I CA 0.851 62.184 61.300 0.055 0.000 1.408 323 I CB 0.009 38.032 38.000 0.039 0.000 1.092 323 I HN 0.751 nan 8.210 nan 0.000 0.423 324 E N -0.413 119.802 120.200 0.026 0.000 2.409 324 E HA 0.708 5.058 4.350 -0.000 0.000 0.280 324 E C -1.626 174.994 176.600 0.034 0.000 1.079 324 E CA -1.117 55.291 56.400 0.013 0.000 0.840 324 E CB 1.368 31.033 29.700 -0.059 0.000 1.309 324 E HN -0.048 nan 8.360 nan 0.000 0.447 325 A N 1.326 124.194 122.820 0.080 0.000 2.475 325 A HA 0.723 5.043 4.320 -0.000 0.000 0.301 325 A C -1.124 176.580 177.584 0.199 0.000 1.059 325 A CA -0.704 51.392 52.037 0.098 0.000 0.710 325 A CB 1.811 20.867 19.000 0.093 0.000 1.288 325 A HN 0.530 nan 8.150 nan 0.000 0.408 326 E N -0.378 119.874 120.200 0.088 0.000 2.392 326 E HA 0.792 5.142 4.350 -0.000 0.000 0.269 326 E C -0.584 176.052 176.600 0.061 0.000 0.924 326 E CA -0.611 55.902 56.400 0.187 0.000 0.784 326 E CB 2.501 32.222 29.700 0.035 0.000 1.292 326 E HN 1.123 nan 8.360 nan 0.000 0.447 327 A N 0.090 123.067 122.820 0.262 0.000 2.588 327 A HA 0.843 5.163 4.320 -0.000 0.000 0.290 327 A C -1.129 176.641 177.584 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 20.065 19.000 -0.054 0.000 1.282 327 A HN 0.921 nan 8.150 nan 0.000 0.421 328 C N -0.879 118.566 119.300 0.240 0.000 3.292 328 C HA 0.740 5.200 4.460 -0.000 0.000 0.338 328 C C -1.668 173.413 174.990 0.151 0.000 1.323 328 C CA -1.010 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 1.057 121.523 120.400 0.109 0.000 2.256 329 D HA 0.567 5.207 4.640 -0.000 0.000 0.250 329 D C -0.424 175.913 176.300 0.062 0.000 1.093 329 D CA 0.120 54.184 54.000 0.107 0.000 0.882 329 D CB 2.026 42.888 40.800 0.104 0.000 1.185 329 D HN 0.536 nan 8.370 nan 0.000 0.437 330 V N 1.058 121.035 119.914 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 2.838 111.569 108.800 -0.115 0.000 2.478 331 G HA2 0.628 4.588 3.960 -0.000 0.000 0.317 331 G HA3 0.628 4.588 3.960 -0.000 0.000 0.317 331 G C -1.173 173.732 174.900 0.008 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 2.232 122.345 119.950 0.272 0.000 2.404 332 F HA 0.507 5.034 4.527 -0.000 0.000 0.359 332 F C 1.008 177.035 175.800 0.378 0.000 1.134 332 F CA -0.231 57.978 58.000 0.348 0.000 1.160 332 F CB 0.944 40.167 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 -1.141 55.079 56.100 0.201 0.000 0.889 333 R CB 1.797 32.234 30.300 0.229 0.000 1.243 333 R HN 0.432 nan 8.270 nan 0.000 0.464 334 E N 1.728 121.945 120.200 0.029 0.000 2.199 334 E HA 0.420 4.770 4.350 -0.000 0.000 0.265 334 E C -1.342 175.306 176.600 0.079 0.000 0.882 334 E CA -0.938 55.545 56.400 0.139 0.000 0.759 334 E CB 2.149 31.968 29.700 0.199 0.000 1.148 334 E HN 0.415 nan 8.360 nan 0.000 0.412 335 V N 5.588 125.551 119.914 0.081 0.000 2.384 335 V HA 0.578 4.698 4.120 -0.000 0.000 0.287 335 V C -0.147 175.977 176.094 0.049 0.000 1.020 335 V CA -0.546 61.779 62.300 0.040 0.000 0.850 335 V CB 1.220 33.049 31.823 0.010 0.000 0.987 335 V HN 0.726 nan 8.190 nan 0.000 0.436 336 R N 4.340 124.866 120.500 0.044 0.000 2.710 336 R HA 0.707 5.047 4.340 -0.000 0.000 0.270 336 R C -2.012 174.308 176.300 0.033 0.000 1.021 336 R CA -0.938 55.190 56.100 0.047 0.000 0.889 336 R CB 1.857 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 1.502 122.092 120.570 0.033 0.000 2.339 337 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 337 I C -0.640 175.494 176.117 0.029 0.000 0.994 337 I CA -0.380 60.935 61.300 0.025 0.000 1.191 337 I CB 1.734 39.750 38.000 0.027 0.000 1.343 337 I HN 0.717 nan 8.210 nan 0.000 0.458 338 E N 6.509 126.724 120.200 0.024 0.000 2.278 338 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 338 E C -0.312 176.299 176.600 0.018 0.000 0.890 338 E CA -0.566 55.849 56.400 0.026 0.000 0.770 338 E CB 1.036 30.756 29.700 0.033 0.000 1.212 338 E HN 0.536 nan 8.360 nan 0.000 0.415 339 N N 3.364 122.075 118.700 0.017 0.000 2.735 339 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 339 N C 0.480 175.994 175.510 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 -2.245 106.559 108.800 0.007 0.000 2.176 340 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.253 340 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.253 340 G C -0.071 174.824 174.900 -0.009 0.000 0.979 340 G CA 0.521 45.621 45.100 0.000 0.000 0.641 340 G HN 0.479 nan 8.290 nan 0.000 0.530 341 L N -0.056 121.163 121.223 -0.007 0.000 2.354 341 L HA 0.750 5.090 4.340 -0.000 0.000 0.269 341 L C -0.038 176.822 176.870 -0.018 0.000 1.005 341 L CA -1.331 53.497 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 0.103 nan 8.230 nan 0.000 0.423 342 L N 3.681 124.882 121.223 -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 0.475 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 5.665 126.879 121.223 -0.015 0.000 2.342 343 L HA 0.587 4.927 4.340 -0.000 0.000 0.271 343 L C -0.907 175.964 176.870 0.002 0.000 1.008 343 L CA -0.859 53.980 54.840 -0.002 0.000 0.818 343 L CB 2.018 44.097 42.059 0.034 0.000 1.296 343 L HN 0.560 nan 8.230 nan 0.000 0.427 344 L N 2.979 124.213 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 344 L C -0.277 176.618 176.870 0.041 0.000 0.987 344 L CA -0.092 54.767 54.840 0.030 0.000 0.828 344 L CB 1.033 43.114 42.059 0.037 0.000 1.249 344 L HN 0.614 nan 8.230 nan 0.000 0.409 345 N N 4.085 122.701 118.700 -0.140 0.000 2.721 345 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 345 N C 0.880 176.162 175.510 -0.379 0.000 1.072 345 N CA 1.389 54.104 53.050 -0.559 0.000 0.710 345 N CB -1.221 36.816 38.487 -0.750 0.000 0.993 345 N HN 1.185 nan 8.380 nan 0.000 0.547 346 G N -1.953 106.845 108.800 -0.004 0.000 2.217 346 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.246 346 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.246 346 G C -0.091 174.857 174.900 0.080 0.000 0.990 346 G CA 0.784 45.963 45.100 0.132 0.000 0.627 346 G HN 0.465 nan 8.290 nan 0.000 0.522 347 K N 1.002 121.438 120.400 0.061 0.000 2.203 347 K HA 0.549 4.869 4.320 -0.000 0.000 0.251 347 K C -3.032 173.553 176.600 -0.024 0.000 0.944 347 K CA -2.089 54.193 56.287 -0.009 0.000 0.829 347 K CB 2.681 35.106 32.500 -0.124 0.000 1.125 347 K HN 0.031 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 3.196 124.359 121.223 -0.100 0.000 2.468 349 L HA 0.387 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 -0.678 54.092 54.840 -0.117 0.000 0.809 349 L CB 0.326 42.278 42.059 -0.179 0.000 1.155 349 L HN 0.235 nan 8.230 nan 0.000 0.473 350 L N 2.490 123.652 121.223 -0.101 0.000 2.471 350 L HA 0.424 4.764 4.340 -0.000 0.000 0.263 350 L C -0.692 176.129 176.870 -0.082 0.000 0.985 350 L CA -0.135 54.633 54.840 -0.121 0.000 0.868 350 L CB 0.994 43.011 42.059 -0.069 0.000 1.203 350 L HN 0.229 nan 8.230 nan 0.000 0.429 351 I N 4.680 125.136 120.570 -0.189 0.000 2.379 351 I HA 0.235 4.405 4.170 -0.000 0.000 0.290 351 I C 0.435 176.496 176.117 -0.093 0.000 1.063 351 I CA -0.027 61.170 61.300 -0.171 0.000 1.351 351 I CB 0.638 38.418 38.000 -0.367 0.000 1.410 351 I HN 0.579 nan 8.210 nan 0.000 0.505 352 R N 4.745 125.266 120.500 0.035 0.000 3.070 352 R HA 0.451 4.791 4.340 -0.000 0.000 0.252 352 R C 0.503 176.888 176.300 0.141 0.000 1.370 352 R CA -0.239 55.912 56.100 0.085 0.000 1.482 352 R CB 0.849 31.047 30.300 -0.170 0.000 1.220 352 R HN 0.782 nan 8.270 nan 0.000 0.622 353 G N 0.057 108.898 108.800 0.069 0.000 2.537 353 G HA2 0.607 4.567 3.960 -0.000 0.000 0.323 353 G HA3 0.607 4.567 3.960 -0.000 0.000 0.323 353 G C -1.340 173.847 174.900 0.480 0.000 1.207 353 G CA -0.499 44.664 45.100 0.104 0.000 0.976 353 G HN 0.241 nan 8.290 nan 0.000 0.487 354 V N 0.032 120.224 119.914 0.465 0.000 2.971 354 V HA 0.481 4.601 4.120 -0.000 0.000 0.309 354 V C -1.143 175.090 176.094 0.231 0.000 1.130 354 V CA -1.204 61.259 62.300 0.271 0.000 0.964 354 V CB 2.210 33.917 31.823 -0.194 0.000 1.029 354 V HN 0.761 nan 8.190 nan 0.000 0.427 355 N N 4.375 123.142 118.700 0.112 0.000 2.499 355 N HA 0.474 5.214 4.740 -0.000 0.000 0.281 355 N C -0.794 174.530 175.510 -0.311 0.000 1.098 355 N CA -0.361 52.632 53.050 -0.096 0.000 0.979 355 N CB 1.659 40.100 38.487 -0.077 0.000 1.121 355 N HN 0.633 nan 8.380 nan 0.000 0.466 356 R N 2.024 122.310 120.500 -0.357 0.000 2.514 356 R HA 0.236 4.576 4.340 -0.000 0.000 0.296 356 R C -0.991 175.081 176.300 -0.380 0.000 1.012 356 R CA -0.549 55.351 56.100 -0.333 0.000 0.897 356 R CB 0.963 31.069 30.300 -0.324 0.000 1.184 356 R HN 0.588 nan 8.270 nan 0.000 0.440 357 H N 2.048 120.971 119.070 -0.246 0.000 2.508 357 H HA 0.142 4.698 4.556 -0.000 0.000 0.358 357 H C -0.507 174.809 175.328 -0.020 0.000 1.212 357 H CA -0.087 55.901 56.048 -0.101 0.000 1.356 357 H CB 1.519 31.275 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 -0.777 175.961 176.600 0.229 0.000 1.113 358 E CA 0.010 56.512 56.400 0.170 0.000 0.878 358 E CB 0.164 29.968 29.700 0.173 0.000 1.070 358 E HN 0.382 nan 8.360 nan 0.000 0.399 359 H N 1.516 120.629 119.070 0.072 0.000 2.865 359 H HA 0.255 4.811 4.556 -0.000 0.000 0.362 359 H C -1.624 173.735 175.328 0.053 0.000 1.114 359 H CA -0.683 55.403 56.048 0.063 0.000 1.208 359 H CB 1.087 30.875 29.762 0.043 0.000 1.727 359 H HN 0.365 nan 8.280 nan 0.000 0.534 360 H N 6.274 124.993 119.070 -0.584 0.000 2.744 360 H HA 0.195 4.751 4.556 -0.000 0.000 0.339 360 H C -2.193 172.730 175.328 -0.675 0.000 1.004 360 H CA -2.396 53.385 56.048 -0.446 0.000 1.257 360 H CB 2.501 32.134 29.762 -0.214 0.000 1.552 360 H HN 0.561 nan 8.280 nan 0.000 0.522 361 P HA -0.134 nan 4.420 nan 0.000 0.217 361 P C 1.374 178.562 177.300 -0.187 0.000 1.148 361 P CA 0.922 63.859 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 -1.868 119.339 121.223 -0.027 0.000 2.269 362 L HA 0.046 4.386 4.340 -0.000 0.000 0.200 362 L C 2.385 179.109 176.870 -0.242 0.000 1.069 362 L CA 0.904 55.646 54.840 -0.163 0.000 0.804 362 L CB -0.693 41.161 42.059 -0.341 0.000 0.987 362 L HN 0.010 nan 8.230 nan 0.000 0.468 363 H N -0.697 118.314 119.070 -0.099 0.000 2.539 363 H HA 0.208 4.764 4.556 -0.000 0.000 0.267 363 H C 1.389 176.596 175.328 -0.201 0.000 0.982 363 H CA 0.134 56.042 56.048 -0.234 0.000 1.146 363 H CB 0.317 29.840 29.762 -0.399 0.000 1.382 363 H HN 0.447 nan 8.280 nan 0.000 0.577 364 G N 1.487 110.193 108.800 -0.157 0.000 2.543 364 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.286 364 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.286 364 G C 0.600 175.402 174.900 -0.162 0.000 1.153 364 G CA 0.305 45.258 45.100 -0.244 0.000 0.968 364 G HN 0.462 nan 8.290 nan 0.000 0.544 365 Q N 0.049 119.776 119.800 -0.122 0.000 2.280 365 Q HA 0.451 4.791 4.340 -0.000 0.000 0.202 365 Q C 0.455 176.504 176.000 0.082 0.000 0.903 365 Q CA -0.058 55.708 55.803 -0.061 0.000 0.948 365 Q CB 0.867 29.460 28.738 -0.241 0.000 1.058 365 Q HN 0.383 nan 8.270 nan 0.000 0.493 366 V N 1.852 121.812 119.914 0.076 0.000 2.498 366 V HA 0.188 4.308 4.120 -0.000 0.000 0.279 366 V C 0.162 176.299 176.094 0.072 0.000 1.048 366 V CA -0.025 62.340 62.300 0.107 0.000 0.967 366 V CB 1.020 32.850 31.823 0.011 0.000 0.988 366 V HN 0.315 nan 8.190 nan 0.000 0.473 367 M N 4.359 123.994 119.600 0.057 0.000 2.598 367 M HA 0.570 5.050 4.480 -0.000 0.000 0.317 367 M C -0.599 175.635 176.300 -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 -1.898 118.453 120.400 -0.082 0.000 2.602 368 D HA 0.223 4.863 4.640 -0.000 0.000 0.236 368 D C 0.285 176.572 176.300 -0.020 0.000 1.209 368 D CA -0.649 53.309 54.000 -0.071 0.000 0.831 368 D CB 1.233 42.023 40.800 -0.016 0.000 1.478 368 D HN 0.687 nan 8.370 nan 0.000 0.438 369 E N -0.009 120.193 120.200 0.003 0.000 2.086 369 E HA -0.369 3.981 4.350 -0.000 0.000 0.200 369 E C 1.545 178.200 176.600 0.091 0.000 1.012 369 E CA 1.569 58.006 56.400 0.061 0.000 0.812 369 E CB 0.083 29.832 29.700 0.082 0.000 0.743 369 E HN 0.567 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 4.172 4.340 -0.000 0.000 0.204 370 Q C 2.221 178.288 176.000 0.113 0.000 0.984 370 Q CA 2.291 58.153 55.803 0.099 0.000 0.846 370 Q CB -0.180 28.616 28.738 0.097 0.000 0.902 370 Q HN 0.369 nan 8.270 nan 0.000 0.421 371 T N 1.138 115.771 114.554 0.131 0.000 2.622 371 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 371 T C 1.956 176.745 174.700 0.147 0.000 1.047 371 T CA 1.687 63.875 62.100 0.148 0.000 1.159 371 T CB -0.259 68.721 68.868 0.186 0.000 0.863 371 T HN 0.293 nan 8.240 nan 0.000 0.422 372 M N 0.627 120.320 119.600 0.155 0.000 2.089 372 M HA -0.154 4.326 4.480 -0.000 0.000 0.257 372 M C 2.438 178.869 176.300 0.218 0.000 1.071 372 M CA 1.542 57.006 55.300 0.274 0.000 1.096 372 M CB -0.758 32.029 32.600 0.313 0.000 1.330 372 M HN 0.115 nan 8.290 nan 0.000 0.403 373 V N -0.251 119.733 119.914 0.116 0.000 2.515 373 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 373 V C 2.261 178.346 176.094 -0.016 0.000 1.058 373 V CA 1.789 64.088 62.300 -0.001 0.000 1.064 373 V CB -0.814 31.031 31.823 0.037 0.000 0.675 373 V HN 0.541 nan 8.190 nan 0.000 0.461 374 Q N -0.221 119.620 119.800 0.068 0.000 2.050 374 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 374 Q C 2.030 178.110 176.000 0.133 0.000 0.980 374 Q CA 2.009 57.868 55.803 0.093 0.000 0.840 374 Q CB -0.087 28.722 28.738 0.119 0.000 0.898 374 Q HN 0.608 nan 8.270 nan 0.000 0.424 375 D N 0.373 120.876 120.400 0.172 0.000 2.092 375 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 375 D C 1.866 178.144 176.300 -0.037 0.000 0.994 375 D CA 1.177 55.292 54.000 0.191 0.000 0.828 375 D CB -0.273 40.630 40.800 0.172 0.000 0.963 375 D HN 0.324 nan 8.370 nan 0.000 0.450 376 I N 0.665 121.189 120.570 -0.076 0.000 2.208 376 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 376 I C 2.387 178.379 176.117 -0.208 0.000 1.097 376 I CA 0.684 61.838 61.300 -0.244 0.000 1.363 376 I CB -0.144 37.600 38.000 -0.426 0.000 1.051 376 I HN 0.050 nan 8.210 nan 0.000 0.413 377 L N -0.008 121.136 121.223 -0.131 0.000 2.027 377 L HA -0.217 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 1.514 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 -0.757 120.565 121.223 0.164 0.000 2.012 378 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 378 L C 2.787 179.839 176.870 0.303 0.000 1.073 378 L CA 1.450 56.472 54.840 0.303 0.000 0.748 378 L CB -0.312 42.054 42.059 0.512 0.000 0.891 378 L HN 0.309 nan 8.230 nan 0.000 0.431 379 M N -0.639 118.980 119.600 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 31.894 32.600 -0.468 0.000 1.313 379 M HN 0.104 nan 8.290 nan 0.000 0.408 380 K N 0.107 120.484 120.400 -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 1.465 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 0.575 56.651 55.803 0.456 0.000 0.894 381 Q CB 0.167 29.153 28.738 0.414 0.000 0.965 381 Q HN 0.246 nan 8.270 nan 0.000 0.475 382 N N 0.670 119.615 118.700 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 -0.847 174.561 175.510 -0.170 0.000 1.090 383 N CA 0.716 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 4.850 4.527 -0.000 0.000 0.333 384 F C 1.789 177.573 175.800 -0.028 0.000 1.104 384 F CA -0.503 57.482 58.000 -0.025 0.000 1.149 384 F CB 0.812 39.777 39.000 -0.058 0.000 1.190 384 F HN 0.045 nan 8.300 nan 0.000 0.533 385 N N 0.615 119.429 118.700 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 53.121 53.050 0.091 0.000 0.890 385 N CB 0.727 39.317 38.487 0.172 0.000 1.116 385 N HN 0.483 nan 8.380 nan 0.000 0.517 386 A N -0.541 122.400 122.820 0.202 0.000 2.612 386 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 1.733 20.948 19.000 0.358 0.000 1.279 386 A HN 0.287 nan 8.150 nan 0.000 0.411 387 V N 0.785 120.948 119.914 0.415 0.000 2.971 387 V HA 0.834 4.954 4.120 -0.000 0.000 0.309 387 V C -0.881 175.356 176.094 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 33.934 31.823 0.180 0.000 1.029 387 V HN 1.167 nan 8.190 nan 0.000 0.427 388 R N 4.476 124.974 120.500 -0.003 0.000 2.437 388 R HA 0.493 4.833 4.340 -0.000 0.000 0.310 388 R C -0.802 175.369 176.300 -0.214 0.000 0.955 388 R CA -0.496 55.439 56.100 -0.275 0.000 0.851 388 R CB 1.276 31.156 30.300 -0.701 0.000 1.161 388 R HN 0.833 nan 8.270 nan 0.000 0.446 389 C N 4.222 123.422 119.300 -0.166 0.000 3.329 389 C HA 0.098 4.558 4.460 -0.000 0.000 0.537 389 C C 0.539 175.256 174.990 -0.455 0.000 1.034 389 C CA -0.422 58.443 59.018 -0.255 0.000 1.086 389 C CB -2.196 25.503 27.740 -0.068 0.000 1.392 389 C HN 0.687 nan 8.230 nan 0.000 0.612 390 S N 1.375 116.700 115.700 -0.626 0.000 2.481 390 S HA 0.156 4.626 4.470 -0.000 0.000 0.282 390 S C -0.114 173.623 174.600 -1.438 0.000 1.243 390 S CA 0.167 57.743 58.200 -1.039 0.000 1.078 390 S CB 0.079 62.608 63.200 -1.117 0.000 0.916 390 S HN 0.727 nan 8.310 nan 0.000 0.495 391 H N 3.535 121.990 119.070 -1.026 0.000 2.597 391 H HA 0.317 4.873 4.556 -0.000 0.000 0.225 391 H C -1.150 174.008 175.328 -0.284 0.000 1.422 391 H CA -0.379 55.427 56.048 -0.404 0.000 1.335 391 H CB -0.135 29.599 29.762 -0.048 0.000 1.783 391 H HN 0.889 nan 8.280 nan 0.000 0.513 392 Y N -2.750 117.647 120.300 0.163 0.000 2.765 392 Y HA 0.390 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 -2.974 55.230 58.100 0.174 0.000 1.119 392 Y CB -0.024 38.542 38.460 0.176 0.000 1.368 392 Y HN -0.081 nan 8.280 nan 0.000 0.463 393 P HA 0.176 nan 4.420 nan 0.000 0.269 393 P C -0.667 176.923 177.300 0.484 0.000 1.209 393 P CA 0.132 63.486 63.100 0.422 0.000 0.776 393 P CB 0.628 32.511 31.700 0.305 0.000 0.876 394 N N 0.163 119.154 118.700 0.485 0.000 2.491 394 N HA 0.115 4.855 4.740 -0.000 0.000 0.279 394 N C -0.043 175.694 175.510 0.378 0.000 1.236 394 N CA -0.635 52.608 53.050 0.323 0.000 0.982 394 N CB 0.409 38.863 38.487 -0.054 0.000 1.194 394 N HN 0.592 nan 8.380 nan 0.000 0.582 395 H N 1.792 120.964 119.070 0.170 0.000 3.034 395 H HA 0.014 4.570 4.556 -0.000 0.000 0.324 395 H C -1.733 173.777 175.328 0.304 0.000 1.015 395 H CA -0.797 55.358 56.048 0.178 0.000 1.429 395 H CB 1.043 30.870 29.762 0.107 0.000 1.429 395 H HN 0.396 nan 8.280 nan 0.000 0.585 396 P HA -0.226 nan 4.420 nan 0.000 0.217 396 P C 1.770 179.366 177.300 0.492 0.000 1.151 396 P CA 0.880 64.189 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 -1.503 120.083 121.223 0.605 0.000 2.201 397 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 397 L C 2.258 179.341 176.870 0.354 0.000 1.105 397 L CA 1.346 56.464 54.840 0.463 0.000 0.775 397 L CB -1.283 41.058 42.059 0.469 0.000 0.913 397 L HN 0.053 nan 8.230 nan 0.000 0.440 398 W N -0.283 121.086 121.300 0.115 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 28.823 29.460 -0.352 0.000 1.150 398 W HN 0.279 nan 8.180 nan 0.000 0.496 399 Y N 0.581 120.831 120.300 -0.083 0.000 2.224 399 Y HA -0.230 4.320 4.550 -0.000 0.000 0.289 399 Y C 2.853 178.523 175.900 -0.385 0.000 1.146 399 Y CA 2.105 59.932 58.100 -0.456 0.000 1.182 399 Y CB -1.332 36.581 38.460 -0.911 0.000 0.983 399 Y HN -0.198 nan 8.280 nan 0.000 0.524 400 T N 0.489 115.059 114.554 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 63.293 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 0.447 121.673 121.223 0.006 0.000 2.046 401 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 401 L C 2.865 179.726 176.870 -0.014 0.000 1.077 401 L CA 1.061 55.928 54.840 0.046 0.000 0.747 401 L CB -0.755 41.284 42.059 -0.033 0.000 0.896 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 C N -0.226 118.893 119.300 -0.301 0.000 2.425 402 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 402 C C 2.398 177.423 174.990 0.059 0.000 1.280 402 C CA 0.383 59.262 59.018 -0.232 0.000 1.744 402 C CB -0.844 26.649 27.740 -0.412 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.444 120.880 120.400 0.060 0.000 2.144 403 D HA -0.102 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 1.185 55.290 54.000 0.176 0.000 0.834 403 D CB -0.334 40.524 40.800 0.097 0.000 0.955 403 D HN 0.536 nan 8.370 nan 0.000 0.465 404 R N -0.966 119.612 120.500 0.130 0.000 2.080 404 R HA 0.012 4.352 4.340 -0.000 0.000 0.222 404 R C 2.174 178.398 176.300 -0.126 0.000 1.107 404 R CA 0.554 56.651 56.100 -0.005 0.000 0.980 404 R CB -0.174 30.037 30.300 -0.148 0.000 0.879 404 R HN 0.266 nan 8.270 nan 0.000 0.439 405 Y N -0.154 120.159 120.300 0.021 0.000 2.395 405 Y HA 0.126 4.676 4.550 -0.000 0.000 0.293 405 Y C 1.028 176.860 175.900 -0.114 0.000 1.123 405 Y CA 0.868 58.952 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 1.137 109.959 108.800 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 44.424 45.100 -0.208 0.000 1.230 406 G HN 0.158 nan 8.290 nan 0.000 0.580 407 L N 0.751 121.880 121.223 -0.156 0.000 2.431 407 L HA 0.528 4.868 4.340 -0.000 0.000 0.266 407 L C 0.023 176.854 176.870 -0.066 0.000 0.978 407 L CA -1.334 53.376 54.840 -0.216 0.000 0.822 407 L CB 2.000 43.959 42.059 -0.166 0.000 1.310 407 L HN 0.413 nan 8.230 nan 0.000 0.409 408 Y N 1.792 122.199 120.300 0.177 0.000 2.319 408 Y HA 0.421 4.971 4.550 -0.000 0.000 0.328 408 Y C 0.206 176.217 175.900 0.185 0.000 1.133 408 Y CA -0.645 57.592 58.100 0.227 0.000 1.265 408 Y CB 1.373 39.951 38.460 0.198 0.000 1.218 408 Y HN 0.151 nan 8.280 nan 0.000 0.508 409 V N 3.750 123.844 119.914 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 33.981 31.823 0.151 0.000 1.005 409 V HN 0.450 nan 8.190 nan 0.000 0.428 410 V N 2.592 122.566 119.914 0.099 0.000 2.347 410 V HA 0.370 4.490 4.120 -0.000 0.000 0.280 410 V C -0.448 175.689 176.094 0.071 0.000 1.021 410 V CA -0.399 61.915 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 3.990 124.461 120.400 0.119 0.000 2.249 411 D HA 0.332 4.972 4.640 -0.000 0.000 0.246 411 D C -0.273 176.204 176.300 0.296 0.000 1.114 411 D CA -0.049 54.112 54.000 0.268 0.000 0.854 411 D CB 1.333 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 0.242 0.000 2.210 412 E HA 0.609 4.959 4.350 -0.000 0.000 0.266 412 E C -1.018 175.714 176.600 0.219 0.000 0.883 412 E CA -1.061 55.466 56.400 0.213 0.000 0.761 412 E CB 1.356 31.132 29.700 0.128 0.000 1.156 412 E HN 0.473 nan 8.360 nan 0.000 0.412 413 A N 3.806 126.750 122.820 0.206 0.000 2.483 413 A HA 0.021 4.341 4.320 -0.000 0.000 0.238 413 A C 0.394 178.097 177.584 0.199 0.000 1.070 413 A CA -0.152 51.989 52.037 0.172 0.000 0.770 413 A CB 0.113 19.182 19.000 0.114 0.000 1.008 413 A HN 0.700 nan 8.150 nan 0.000 0.497 414 N N 1.314 120.139 118.700 0.209 0.000 3.103 414 N HA 0.225 4.965 4.740 -0.000 0.000 0.305 414 N C -0.949 174.683 175.510 0.204 0.000 1.232 414 N CA 0.228 53.433 53.050 0.258 0.000 1.190 414 N CB -0.868 37.777 38.487 0.265 0.000 1.461 414 N HN 0.476 nan 8.380 nan 0.000 0.538 415 I N 0.662 121.343 120.570 0.186 0.000 2.500 415 I HA 0.279 4.449 4.170 -0.000 0.000 0.286 415 I C -0.598 175.607 176.117 0.148 0.000 1.063 415 I CA -0.679 60.711 61.300 0.151 0.000 1.062 415 I CB 1.927 39.991 38.000 0.105 0.000 1.223 415 I HN 0.211 nan 8.210 nan 0.000 0.435 416 E N 4.272 124.556 120.200 0.140 0.000 2.294 416 E HA 0.299 4.649 4.350 -0.000 0.000 0.272 416 E C -0.488 176.171 176.600 0.098 0.000 0.896 416 E CA -0.435 56.023 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 0.759 115.362 114.554 0.083 0.000 3.293 417 T HA 0.142 4.492 4.350 -0.000 0.000 0.276 417 T C 1.018 175.769 174.700 0.085 0.000 1.003 417 T CA -0.219 61.952 62.100 0.118 0.000 0.916 417 T CB -0.293 68.618 68.868 0.071 0.000 1.134 417 T HN 0.671 nan 8.240 nan 0.000 0.530 418 H N 1.258 120.249 119.070 -0.132 0.000 2.325 418 H HA -0.150 4.406 4.556 -0.000 0.000 0.293 418 H C 2.292 177.488 175.328 -0.220 0.000 1.106 418 H CA 1.449 57.381 56.048 -0.194 0.000 1.247 418 H CB -0.283 29.332 29.762 -0.244 0.000 1.359 418 H HN 0.584 nan 8.280 nan 0.000 0.488 419 G N 0.244 108.881 108.800 -0.272 0.000 2.776 419 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.209 419 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.209 419 G C 0.562 175.556 174.900 0.156 0.000 1.145 419 G CA -0.085 44.890 45.100 -0.209 0.000 0.791 419 G HN 0.152 nan 8.290 nan 0.000 0.530 420 M N 0.021 119.752 119.600 0.219 0.000 2.113 420 M HA 0.345 4.825 4.480 -0.000 0.000 0.288 420 M C -0.289 176.040 176.300 0.048 0.000 1.225 420 M CA -0.137 55.248 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 -2.141 173.940 176.094 -0.022 0.000 1.047 421 V CA -1.322 60.972 62.300 -0.009 0.000 0.880 421 V CB 1.932 33.746 31.823 -0.015 0.000 1.009 421 V HN 0.730 nan 8.190 nan 0.000 0.429 422 P HA 0.274 nan 4.420 nan 0.000 0.274 422 P C 1.098 178.393 177.300 -0.009 0.000 1.256 422 P CA -0.552 62.539 63.100 -0.016 0.000 0.795 422 P CB 0.752 32.444 31.700 -0.013 0.000 1.038 423 M N 0.812 120.412 119.600 0.001 0.000 2.260 423 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 423 M C 0.963 177.274 176.300 0.018 0.000 1.066 423 M CA 1.923 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 -0.265 118.442 118.700 0.012 0.000 2.251 424 N HA -0.046 4.694 4.740 -0.000 0.000 0.217 424 N C 1.080 176.553 175.510 -0.063 0.000 1.124 424 N CA 0.055 53.106 53.050 0.003 0.000 0.843 424 N CB -0.639 37.868 38.487 0.034 0.000 1.024 424 N HN 0.353 nan 8.380 nan 0.000 0.501 425 R N 0.538 120.990 120.500 -0.079 0.000 2.103 425 R HA -0.028 4.312 4.340 -0.000 0.000 0.242 425 R C 1.422 177.600 176.300 -0.203 0.000 1.142 425 R CA 1.558 57.587 56.100 -0.119 0.000 0.960 425 R CB -0.083 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 -0.732 120.305 121.223 -0.310 0.000 2.202 426 L HA 0.025 4.365 4.340 -0.000 0.000 0.205 426 L C 2.447 179.134 176.870 -0.305 0.000 1.083 426 L CA 1.187 55.710 54.840 -0.529 0.000 0.790 426 L CB -0.614 40.861 42.059 -0.974 0.000 0.942 426 L HN 0.363 nan 8.230 nan 0.000 0.452 427 T N -3.914 110.501 114.554 -0.232 0.000 2.977 427 T HA -0.194 4.156 4.350 -0.000 0.000 0.271 427 T C 1.220 175.800 174.700 -0.200 0.000 1.105 427 T CA 1.343 63.291 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 -0.467 175.801 176.300 -0.054 0.000 1.101 428 D CA -0.247 53.695 54.000 -0.096 0.000 0.837 428 D CB -0.025 40.730 40.800 -0.076 0.000 0.938 428 D HN 0.341 nan 8.370 nan 0.000 0.508 429 D N -0.513 119.871 120.400 -0.026 0.000 2.408 429 D HA 0.178 4.818 4.640 -0.000 0.000 0.243 429 D C -1.798 174.555 176.300 0.090 0.000 1.075 429 D CA -2.281 51.748 54.000 0.048 0.000 0.832 429 D CB 2.308 43.175 40.800 0.110 0.000 1.162 429 D HN -0.128 nan 8.370 nan 0.000 0.515 430 P HA -0.121 nan 4.420 nan 0.000 0.217 430 P C 1.082 178.386 177.300 0.007 0.000 1.148 430 P CA 1.014 64.122 63.100 0.013 0.000 0.828 430 P CB 0.338 32.035 31.700 -0.005 0.000 0.783 431 R N -1.926 118.585 120.500 0.019 0.000 2.152 431 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 431 R C 1.656 177.834 176.300 -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 29.584 30.300 -0.136 0.000 0.870 431 R HN 0.317 nan 8.270 nan 0.000 0.451 432 W N -0.611 120.630 121.300 -0.099 0.000 3.278 432 W HA 0.161 4.821 4.660 -0.000 0.000 0.308 432 W C 1.351 177.808 176.519 -0.105 0.000 1.253 432 W CA -0.524 56.761 57.345 -0.100 0.000 1.759 432 W CB 0.039 29.435 29.460 -0.106 0.000 1.093 432 W HN 0.038 nan 8.180 nan 0.000 0.648 433 L N 2.322 123.585 121.223 0.066 0.000 2.012 433 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 433 L C -0.668 176.173 176.870 -0.049 0.000 1.073 433 L CA 2.311 57.146 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 1.611 178.860 177.300 -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 -0.696 122.088 122.820 -0.061 0.000 1.877 435 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 435 A C 2.256 179.852 177.584 0.018 0.000 1.186 435 A CA 1.951 53.982 52.037 -0.009 0.000 0.620 435 A CB -1.490 17.538 19.000 0.048 0.000 0.822 435 A HN 0.088 nan 8.150 nan 0.000 0.443 436 M N -0.221 119.398 119.600 0.032 0.000 2.159 436 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 436 M C 2.579 178.828 176.300 -0.085 0.000 1.063 436 M CA 1.715 57.009 55.300 -0.010 0.000 1.110 436 M CB -0.468 32.105 32.600 -0.046 0.000 1.374 436 M HN 0.657 nan 8.290 nan 0.000 0.411 437 S N 0.695 116.319 115.700 -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 0.732 120.821 120.200 -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 29.418 29.700 -0.110 0.000 0.745 438 E HN 0.590 nan 8.360 nan 0.000 0.458 439 R N 0.263 120.708 120.500 -0.091 0.000 2.120 439 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 439 R C 2.339 178.596 176.300 -0.073 0.000 1.123 439 R CA 0.819 56.893 56.100 -0.043 0.000 0.975 439 R CB -0.030 30.280 30.300 0.017 0.000 0.866 439 R HN 0.007 nan 8.270 nan 0.000 0.446 440 V N 0.007 119.832 119.914 -0.148 0.000 2.374 440 V HA -0.169 3.951 4.120 -0.000 0.000 0.241 440 V C 2.411 178.340 176.094 -0.274 0.000 1.034 440 V CA 2.002 64.199 62.300 -0.172 0.000 1.037 440 V CB -0.306 31.412 31.823 -0.176 0.000 0.682 440 V HN 0.513 nan 8.190 nan 0.000 0.463 441 T N -0.382 113.884 114.554 -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 1.690 63.433 62.100 -0.595 0.000 1.148 441 T CB -0.472 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 0.346 120.719 120.500 -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 -0.146 0.000 0.968 442 R CB -0.500 29.723 30.300 -0.128 0.000 0.861 442 R HN 0.487 nan 8.270 nan 0.000 0.440 443 M N 0.651 120.183 119.600 -0.114 0.000 2.086 443 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 443 M C 1.949 178.168 176.300 -0.135 0.000 1.067 443 M CA 1.662 56.918 55.300 -0.073 0.000 1.116 443 M CB 0.052 32.643 32.600 -0.015 0.000 1.348 443 M HN -0.015 nan 8.290 nan 0.000 0.407 444 V N 0.856 120.593 119.914 -0.295 0.000 2.343 444 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 444 V C 2.283 178.261 176.094 -0.194 0.000 1.051 444 V CA 2.057 64.068 62.300 -0.483 0.000 1.036 444 V CB -0.923 30.588 31.823 -0.520 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.713 119.010 119.800 -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 0.535 nan 8.270 nan 0.000 0.429 446 R N 0.157 120.566 120.500 -0.153 0.000 2.100 446 R HA -0.085 4.255 4.340 -0.000 0.000 0.220 446 R C 0.560 176.779 176.300 -0.135 0.000 1.091 446 R CA 1.249 57.235 56.100 -0.189 0.000 0.986 446 R CB 0.414 30.607 30.300 -0.179 0.000 0.888 446 R HN 0.138 nan 8.270 nan 0.000 0.444 447 D N -0.144 120.235 120.400 -0.035 0.000 2.369 447 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 447 D C 1.199 177.587 176.300 0.147 0.000 1.077 447 D CA 0.185 54.209 54.000 0.040 0.000 0.842 447 D CB 0.365 41.145 40.800 -0.033 0.000 0.947 447 D HN 0.317 nan 8.370 nan 0.000 0.509 448 R N 0.419 121.012 120.500 0.155 0.000 2.357 448 R HA 0.080 4.420 4.340 -0.000 0.000 0.202 448 R C 0.874 177.150 176.300 -0.039 0.000 1.047 448 R CA 0.851 57.054 56.100 0.171 0.000 1.034 448 R CB -0.280 30.117 30.300 0.161 0.000 0.875 448 R HN -0.111 nan 8.270 nan 0.000 0.473 449 N N 0.078 118.676 118.700 -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 1.720 120.700 119.070 -0.151 0.000 2.819 450 H HA 0.090 4.646 4.556 -0.000 0.000 0.303 450 H C -1.159 173.999 175.328 -0.283 0.000 1.058 450 H CA -1.120 54.822 56.048 -0.177 0.000 1.471 450 H CB 1.457 31.144 29.762 -0.125 0.000 1.480 450 H HN 0.065 nan 8.280 nan 0.000 0.517 451 P HA -0.152 nan 4.420 nan 0.000 0.218 451 P C 1.352 178.199 177.300 -0.756 0.000 1.149 451 P CA 1.160 63.903 63.100 -0.595 0.000 0.817 451 P CB 0.267 31.393 31.700 -0.958 0.000 0.785 452 S N -1.242 114.090 115.700 -0.613 0.000 2.481 452 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 452 S C 1.023 175.593 174.600 -0.050 0.000 0.996 452 S CA 0.063 58.083 58.200 -0.300 0.000 0.942 452 S CB -1.230 61.947 63.200 -0.039 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 -0.115 0.000 2.427 453 V HA 0.268 4.388 4.120 -0.000 0.000 0.268 453 V C 1.023 176.975 176.094 -0.237 0.000 1.046 453 V CA -0.132 62.071 62.300 -0.163 0.000 0.970 453 V CB 0.547 32.176 31.823 -0.323 0.000 1.001 453 V HN 0.628 nan 8.190 nan 0.000 0.476 454 I N 2.687 123.168 120.570 -0.148 0.000 4.288 454 I HA 0.511 4.681 4.170 -0.000 0.000 0.331 454 I C 0.322 176.321 176.117 -0.197 0.000 1.322 454 I CA 0.394 61.614 61.300 -0.134 0.000 1.149 454 I CB 0.480 38.479 38.000 -0.000 0.000 1.112 454 I HN 0.308 nan 8.210 nan 0.000 0.403 455 I N 0.066 120.499 120.570 -0.228 0.000 2.802 455 I HA 0.381 4.551 4.170 -0.000 0.000 0.298 455 I C -1.559 174.442 176.117 -0.192 0.000 1.176 455 I CA -0.432 60.767 61.300 -0.168 0.000 1.025 455 I CB 2.246 40.243 38.000 -0.005 0.000 1.243 455 I HN 0.014 nan 8.210 nan 0.000 0.424 456 W N 3.392 124.736 121.300 0.073 0.000 2.496 456 W HA 0.637 5.297 4.660 -0.000 0.000 0.327 456 W C 0.282 176.860 176.519 0.099 0.000 1.086 456 W CA -0.680 56.714 57.345 0.081 0.000 1.222 456 W CB 1.798 31.300 29.460 0.070 0.000 1.304 456 W HN 0.306 nan 8.180 nan 0.000 0.547 457 S N 2.634 118.562 115.700 0.380 0.000 2.521 457 S HA 0.412 4.882 4.470 -0.000 0.000 0.295 457 S C 0.143 174.903 174.600 0.267 0.000 1.098 457 S CA -0.698 57.669 58.200 0.279 0.000 0.999 457 S CB 0.853 64.170 63.200 0.195 0.000 1.034 457 S HN 0.581 nan 8.310 nan 0.000 0.483 458 L N 4.031 125.406 121.223 0.254 0.000 2.599 458 L HA 0.377 4.717 4.340 -0.000 0.000 0.230 458 L C 1.357 178.300 176.870 0.122 0.000 1.141 458 L CA 0.464 55.385 54.840 0.135 0.000 0.877 458 L CB -0.989 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 -0.431 175.037 175.510 -0.070 0.000 1.170 460 N CA -0.022 53.004 53.050 -0.040 0.000 0.848 460 N CB 1.665 39.861 38.487 -0.486 0.000 1.629 460 N HN 0.846 nan 8.380 nan 0.000 0.481 461 E N 0.442 120.508 120.200 -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 -0.136 0.000 1.448 461 E CA 0.725 56.922 56.400 -0.338 0.000 0.672 461 E CB -1.253 27.970 29.700 -0.794 0.000 1.057 461 E HN 0.391 nan 8.360 nan 0.000 0.321 462 S N 0.054 115.819 115.700 0.108 0.000 2.843 462 S HA 0.392 4.862 4.470 -0.000 0.000 0.249 462 S C 0.729 175.493 174.600 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 2.039 110.938 108.800 0.165 0.000 2.578 463 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.275 463 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.275 463 G C -0.479 174.629 174.900 0.347 0.000 1.271 463 G CA -0.032 45.168 45.100 0.165 0.000 0.941 463 G HN 0.628 nan 8.290 nan 0.000 0.564 464 H N 0.600 119.789 119.070 0.199 0.000 2.823 464 H HA 0.584 5.140 4.556 -0.000 0.000 0.332 464 H C 0.243 175.742 175.328 0.285 0.000 0.980 464 H CA 0.072 56.276 56.048 0.259 0.000 1.286 464 H CB 0.838 30.682 29.762 0.137 0.000 1.541 464 H HN 1.139 nan 8.280 nan 0.000 0.521 465 G N 1.415 110.218 108.800 0.006 0.000 2.730 465 G HA2 0.452 4.412 3.960 -0.000 0.000 0.289 465 G HA3 0.452 4.412 3.960 -0.000 0.000 0.289 465 G C 0.475 175.203 174.900 -0.287 0.000 1.341 465 G CA -0.158 44.797 45.100 -0.241 0.000 0.932 465 G HN 0.647 nan 8.290 nan 0.000 0.481 466 A N 0.086 122.791 122.820 -0.191 0.000 2.024 466 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 466 A C 2.092 179.639 177.584 -0.060 0.000 1.164 466 A CA 1.924 53.903 52.037 -0.096 0.000 0.643 466 A CB -0.432 18.537 19.000 -0.052 0.000 0.806 466 A HN 0.515 nan 8.150 nan 0.000 0.451 467 N N -0.335 118.288 118.700 -0.128 0.000 2.223 467 N HA -0.136 4.604 4.740 -0.000 0.000 0.185 467 N C 1.394 176.841 175.510 -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 -0.215 0.000 0.983 467 N HN 0.792 nan 8.380 nan 0.000 0.429 468 H N 0.261 119.288 119.070 -0.072 0.000 2.326 468 H HA -0.026 4.530 4.556 -0.000 0.000 0.301 468 H C 1.232 176.609 175.328 0.082 0.000 1.081 468 H CA 1.248 57.267 56.048 -0.049 0.000 1.334 468 H CB 0.165 29.888 29.762 -0.065 0.000 1.385 468 H HN 0.173 nan 8.280 nan 0.000 0.504 469 D N 0.484 121.028 120.400 0.240 0.000 2.123 469 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 469 D C 2.303 178.750 176.300 0.244 0.000 0.992 469 D CA 1.230 55.370 54.000 0.234 0.000 0.833 469 D CB -0.505 40.403 40.800 0.181 0.000 0.954 469 D HN 0.427 nan 8.370 nan 0.000 0.455 470 A N 0.692 123.605 122.820 0.156 0.000 1.902 470 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 470 A C 2.402 180.093 177.584 0.180 0.000 1.181 470 A CA 1.003 53.124 52.037 0.141 0.000 0.623 470 A CB -0.728 18.314 19.000 0.070 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.443 471 L N -2.281 119.039 121.223 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 1.475 59.654 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 -0.020 120.582 120.500 0.169 0.000 2.096 473 R HA -0.228 4.112 4.340 -0.000 0.000 0.235 473 R C 2.069 178.362 176.300 -0.013 0.000 1.127 473 R CA 1.820 57.937 56.100 0.029 0.000 0.968 473 R CB -1.584 28.822 30.300 0.176 0.000 0.861 473 R HN 0.680 nan 8.270 nan 0.000 0.440 474 W N 1.018 122.273 121.300 -0.075 0.000 2.355 474 W HA -0.144 4.516 4.660 -0.000 0.000 0.309 474 W C 1.838 178.266 176.519 -0.152 0.000 1.206 474 W CA 1.572 58.861 57.345 -0.094 0.000 1.284 474 W CB -0.313 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 0.830 121.368 120.570 -0.054 0.000 2.226 475 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 475 I C 2.357 178.247 176.117 -0.379 0.000 1.100 475 I CA 1.276 62.381 61.300 -0.325 0.000 1.374 475 I CB -0.824 37.069 38.000 -0.177 0.000 1.057 475 I HN -0.094 nan 8.210 nan 0.000 0.413 476 K N 0.902 121.098 120.400 -0.340 0.000 2.152 476 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 476 K C 2.217 178.665 176.600 -0.254 0.000 1.048 476 K CA 1.334 57.446 56.287 -0.292 0.000 0.933 476 K CB -0.411 31.887 32.500 -0.338 0.000 0.721 476 K HN 0.301 nan 8.250 nan 0.000 0.447 477 S N 0.530 116.041 115.700 -0.316 0.000 2.395 477 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 477 S C 2.169 176.546 174.600 -0.371 0.000 1.027 477 S CA 0.622 58.645 58.200 -0.295 0.000 0.965 477 S CB -0.026 63.008 63.200 -0.276 0.000 0.812 477 S HN -0.016 nan 8.310 nan 0.000 0.482 478 V N 1.266 120.819 119.914 -0.602 0.000 2.649 478 V HA 0.064 4.184 4.120 -0.000 0.000 0.248 478 V C 0.309 176.171 176.094 -0.386 0.000 1.054 478 V CA 1.160 63.098 62.300 -0.603 0.000 1.073 478 V CB -0.124 31.008 31.823 -1.153 0.000 0.699 478 V HN 0.368 nan 8.190 nan 0.000 0.463 479 D N -0.888 119.327 120.400 -0.309 0.000 2.364 479 D HA 0.248 4.888 4.640 -0.000 0.000 0.251 479 D C -2.170 174.117 176.300 -0.021 0.000 1.282 479 D CA -1.552 52.382 54.000 -0.110 0.000 0.927 479 D CB 1.686 42.512 40.800 0.045 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 1.032 178.345 177.300 0.022 0.000 1.191 480 P CA 0.345 63.433 63.100 -0.020 0.000 0.771 480 P CB 0.159 31.839 31.700 -0.033 0.000 0.929 481 S N -1.241 114.482 115.700 0.038 0.000 2.561 481 S HA 0.079 4.549 4.470 -0.000 0.000 0.225 481 S C 0.876 175.496 174.600 0.034 0.000 0.977 481 S CA -0.095 58.131 58.200 0.044 0.000 0.926 481 S CB -0.358 62.863 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 -2.177 53.920 56.100 -0.006 0.000 0.896 482 R CB 1.583 31.768 30.300 -0.193 0.000 1.201 482 R HN 0.129 nan 8.270 nan 0.000 0.457 483 P HA 0.169 nan 4.420 nan 0.000 0.274 483 P C -0.789 176.610 177.300 0.164 0.000 1.246 483 P CA -0.477 62.680 63.100 0.095 0.000 0.795 483 P CB 0.723 32.465 31.700 0.070 0.000 1.006 484 V N 1.625 121.666 119.914 0.211 0.000 2.555 484 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 484 V C 0.186 176.455 176.094 0.291 0.000 1.038 484 V CA -0.353 62.122 62.300 0.292 0.000 0.887 484 V CB 1.275 33.271 31.823 0.288 0.000 0.991 484 V HN 0.648 nan 8.190 nan 0.000 0.434 485 Q N 3.462 123.416 119.800 0.258 0.000 2.451 485 Q HA 0.800 5.140 4.340 -0.000 0.000 0.281 485 Q C -1.880 174.267 176.000 0.246 0.000 1.099 485 Q CA -0.943 54.977 55.803 0.194 0.000 0.806 485 Q CB 2.972 31.772 28.738 0.104 0.000 1.419 485 Q HN 0.660 nan 8.270 nan 0.000 0.427 486 Y N 0.339 120.641 120.300 0.004 0.000 2.314 486 Y HA 0.139 4.689 4.550 -0.000 0.000 0.317 486 Y C -0.507 175.329 175.900 -0.107 0.000 1.234 486 Y CA -0.666 57.404 58.100 -0.049 0.000 1.111 486 Y CB 1.966 40.386 38.460 -0.066 0.000 1.283 486 Y HN 0.963 nan 8.280 nan 0.000 0.418 487 E N 3.495 123.240 120.200 -0.759 0.000 2.299 487 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 487 E C 0.713 176.857 176.600 -0.761 0.000 0.998 487 E CA 0.748 56.779 56.400 -0.616 0.000 0.851 487 E CB 0.238 29.687 29.700 -0.420 0.000 0.795 487 E HN 0.888 nan 8.360 nan 0.000 0.492 488 G N -0.188 107.740 108.800 -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 44.914 45.100 -0.739 0.000 0.847 488 G HN 0.328 nan 8.290 nan 0.000 0.583 489 G N -0.644 108.103 108.800 -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 1.267 176.158 174.900 -0.016 0.000 1.025 489 G CA 1.035 46.146 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 1.071 176.057 174.900 0.144 0.000 1.000 490 G CA 1.326 46.467 45.100 0.068 0.000 0.663 490 G HN 2.347 nan 8.290 nan 0.000 0.493 491 A N -0.183 122.615 122.820 -0.037 0.000 3.413 491 A HA -0.102 4.218 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 -1.118 119.286 120.400 0.008 0.000 2.636 492 D HA 0.285 4.925 4.640 -0.000 0.000 0.270 492 D C 0.460 176.744 176.300 -0.028 0.000 1.430 492 D CA 0.902 54.916 54.000 0.023 0.000 0.796 492 D CB -1.174 39.771 40.800 0.240 0.000 1.117 492 D HN 0.863 nan 8.370 nan 0.000 0.480 493 T N -2.067 112.406 114.554 -0.136 0.000 2.652 493 T HA 0.152 4.502 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 0.665 62.614 62.100 -0.251 0.000 0.990 493 T CB 0.696 69.192 68.868 -0.620 0.000 1.098 493 T HN 0.086 nan 8.240 nan 0.000 0.520 494 T N -2.343 112.062 114.554 -0.248 0.000 3.113 494 T HA 0.210 4.560 4.350 -0.000 0.000 0.263 494 T C 1.668 176.088 174.700 -0.466 0.000 1.143 494 T CA 0.361 62.323 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 0.467 123.039 122.820 -0.413 0.000 2.379 495 A HA 0.479 4.799 4.320 -0.000 0.000 0.236 495 A C 0.931 178.304 177.584 -0.352 0.000 1.272 495 A CA -0.167 51.573 52.037 -0.496 0.000 0.886 495 A CB 0.023 19.010 19.000 -0.023 0.000 0.962 495 A HN 0.433 nan 8.150 nan 0.000 0.504 496 T N -1.537 112.855 114.554 -0.269 0.000 2.912 496 T HA 0.393 4.743 4.350 -0.000 0.000 0.299 496 T C -0.591 174.124 174.700 0.025 0.000 1.052 496 T CA -0.454 61.636 62.100 -0.017 0.000 0.996 496 T CB 1.326 70.183 68.868 -0.019 0.000 1.070 496 T HN 0.066 nan 8.240 nan 0.000 0.465 497 D N 2.669 123.161 120.400 0.153 0.000 2.354 497 D HA 0.298 4.938 4.640 -0.000 0.000 0.209 497 D C 0.266 176.594 176.300 0.047 0.000 1.015 497 D CA 0.658 54.736 54.000 0.131 0.000 0.867 497 D CB 0.393 41.298 40.800 0.176 0.000 0.933 497 D HN 0.529 nan 8.370 nan 0.000 0.520 498 I N 0.806 121.383 120.570 0.013 0.000 2.582 498 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 498 I C -0.303 175.747 176.117 -0.111 0.000 1.066 498 I CA -0.906 60.368 61.300 -0.044 0.000 1.053 498 I CB 2.935 40.920 38.000 -0.025 0.000 1.241 498 I HN -0.356 nan 8.210 nan 0.000 0.421 499 I N 5.438 125.897 120.570 -0.185 0.000 2.436 499 I HA 0.082 4.252 4.170 -0.000 0.000 0.289 499 I C 0.029 175.938 176.117 -0.346 0.000 1.083 499 I CA -0.044 61.056 61.300 -0.333 0.000 1.372 499 I CB 0.165 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 5.528 124.639 119.300 -0.314 0.000 3.414 500 C HA 0.480 4.940 4.460 -0.000 0.000 0.208 500 C C -2.223 172.622 174.990 -0.243 0.000 1.422 500 C CA -2.288 56.590 59.018 -0.234 0.000 1.437 500 C CB -0.878 26.782 27.740 -0.132 0.000 1.850 500 C HN 0.401 nan 8.230 nan 0.000 0.481 501 P HA 0.380 nan 4.420 nan 0.000 0.275 501 P C -0.465 176.766 177.300 -0.115 0.000 1.266 501 P CA 0.131 63.115 63.100 -0.192 0.000 0.793 501 P CB 0.683 32.279 31.700 -0.172 0.000 1.074 502 M N -0.430 119.129 119.600 -0.069 0.000 2.197 502 M HA 0.475 4.955 4.480 -0.000 0.000 0.301 502 M C -0.985 175.273 176.300 -0.071 0.000 0.987 502 M CA -0.652 54.516 55.300 -0.221 0.000 0.921 502 M CB 1.528 33.967 32.600 -0.268 0.000 1.569 502 M HN 0.341 nan 8.290 nan 0.000 0.431 503 Y N -0.303 120.142 120.300 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 0.435 58.680 58.100 0.240 0.000 2.052 503 Y CB -2.270 36.295 38.460 0.175 0.000 1.621 503 Y HN 0.994 nan 8.280 nan 0.000 0.682 504 A N 1.222 124.236 122.820 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 51.765 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 1.376 122.002 120.500 0.211 0.000 2.546 505 R HA 0.333 4.673 4.340 -0.000 0.000 0.266 505 R C 0.953 177.224 176.300 -0.048 0.000 1.086 505 R CA -0.753 55.410 56.100 0.106 0.000 1.160 505 R CB 0.540 30.874 30.300 0.057 0.000 1.138 505 R HN 0.469 nan 8.270 nan 0.000 0.567 506 V N 0.631 120.370 119.914 -0.293 0.000 2.283 506 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 506 V C 0.929 176.907 176.094 -0.194 0.000 1.039 506 V CA 1.877 63.956 62.300 -0.368 0.000 1.016 506 V CB -0.248 31.240 31.823 -0.558 0.000 0.650 506 V HN 0.751 nan 8.190 nan 0.000 0.449 507 D N -1.587 118.731 120.400 -0.136 0.000 2.479 507 D HA 0.155 4.795 4.640 -0.000 0.000 0.216 507 D C 0.649 176.928 176.300 -0.035 0.000 1.110 507 D CA 0.065 54.017 54.000 -0.080 0.000 0.841 507 D CB 0.837 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 1.224 121.410 120.200 -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 -0.580 55.814 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 1.962 122.359 120.400 -0.005 0.000 2.193 509 D HA 0.174 4.814 4.640 -0.000 0.000 0.249 509 D C -0.645 175.554 176.300 -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 1.695 121.280 119.800 -0.357 0.000 2.616 510 Q HA 0.275 4.615 4.340 -0.000 0.000 0.250 510 Q C -2.312 173.041 176.000 -1.078 0.000 0.991 510 Q CA -1.608 53.790 55.803 -0.676 0.000 0.707 510 Q CB 2.526 30.865 28.738 -0.666 0.000 1.247 510 Q HN 0.139 nan 8.270 nan 0.000 0.491 511 P HA 0.084 nan 4.420 nan 0.000 0.214 511 P C -0.773 176.204 177.300 -0.537 0.000 1.826 511 P CA -0.168 62.515 63.100 -0.694 0.000 0.977 511 P CB -0.523 30.966 31.700 -0.352 0.000 1.930 512 F N 2.611 122.415 119.950 -0.244 0.000 2.459 512 F HA 0.243 4.770 4.527 -0.000 0.000 0.346 512 F C -1.168 174.527 175.800 -0.175 0.000 1.128 512 F CA -2.565 55.336 58.000 -0.166 0.000 1.268 512 F CB -0.349 38.567 39.000 -0.140 0.000 1.161 512 F HN 0.073 nan 8.300 nan 0.000 0.583 513 P HA 0.075 nan 4.420 nan 0.000 0.268 513 P C 0.322 177.638 177.300 0.026 0.000 1.204 513 P CA 0.860 63.977 63.100 0.029 0.000 0.768 513 P CB 1.174 32.891 31.700 0.029 0.000 0.842 514 A N 3.007 125.829 122.820 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 2.091 54.133 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 -3.222 116.691 119.914 -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 -1.205 61.093 62.300 -0.002 0.000 1.095 515 V CB 0.752 32.582 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 -0.756 176.098 177.300 -0.744 0.000 1.246 516 P CA -0.024 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 -0.716 0.000 2.521 517 K HA 0.252 4.572 4.320 -0.000 0.000 0.248 517 K C -0.528 175.753 176.600 -0.532 0.000 0.978 517 K CA -0.282 55.747 56.287 -0.430 0.000 0.947 517 K CB 0.718 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 1.390 122.376 121.300 -0.523 0.000 2.129 518 W HA 0.078 4.738 4.660 -0.000 0.000 0.349 518 W C 1.303 177.815 176.519 -0.012 0.000 1.279 518 W CA -0.685 56.451 57.345 -0.349 0.000 1.306 518 W CB 0.554 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 3.074 118.927 115.700 0.255 0.000 2.552 519 S HA -0.071 4.399 4.470 -0.000 0.000 0.289 519 S C 1.149 175.887 174.600 0.229 0.000 1.304 519 S CA -0.294 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 2.345 123.018 120.570 0.172 0.000 2.454 520 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 520 I C 1.834 177.968 176.117 0.028 0.000 1.156 520 I CA 1.146 62.551 61.300 0.174 0.000 1.433 520 I CB -0.495 37.547 38.000 0.071 0.000 1.082 520 I HN 0.625 nan 8.210 nan 0.000 0.432 521 K N 2.052 122.374 120.400 -0.129 0.000 2.155 521 K HA -0.150 4.170 4.320 -0.000 0.000 0.203 521 K C 2.154 178.730 176.600 -0.039 0.000 1.052 521 K CA 1.520 57.651 56.287 -0.261 0.000 0.948 521 K CB -0.280 31.970 32.500 -0.417 0.000 0.728 521 K HN 0.451 nan 8.250 nan 0.000 0.448 522 K N 0.588 120.992 120.400 0.006 0.000 2.167 522 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 522 K C 1.865 178.463 176.600 -0.003 0.000 1.052 522 K CA 0.509 56.783 56.287 -0.022 0.000 0.956 522 K CB -0.060 32.394 32.500 -0.078 0.000 0.735 522 K HN 0.169 nan 8.250 nan 0.000 0.451 523 W N 2.021 123.278 121.300 -0.072 0.000 2.342 523 W HA -0.175 4.485 4.660 -0.000 0.000 0.297 523 W C 1.453 177.935 176.519 -0.061 0.000 1.213 523 W CA 1.199 58.513 57.345 -0.052 0.000 1.251 523 W CB -0.406 29.115 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 0.250 0.000 2.191 524 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 524 L C 2.478 179.405 176.870 0.095 0.000 1.103 524 L CA 1.770 56.696 54.840 0.142 0.000 0.769 524 L CB -0.980 41.142 42.059 0.105 0.000 0.908 524 L HN -0.031 nan 8.230 nan 0.000 0.438 525 S N -0.926 114.808 115.700 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 -0.432 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 2.144 123.331 121.223 -0.060 0.000 2.506 526 L HA 0.241 4.581 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 53.037 54.840 -0.124 0.000 0.850 526 L CB -0.430 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 -0.000 nan 4.420 nan 0.000 0.258 527 P C 0.795 178.086 177.300 -0.015 0.000 1.187 527 P CA 0.916 63.991 63.100 -0.040 0.000 0.767 527 P CB 0.570 32.241 31.700 -0.048 0.000 0.770 528 G N 1.988 110.785 108.800 -0.004 0.000 2.199 528 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 528 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 528 G C 0.253 175.166 174.900 0.022 0.000 0.982 528 G CA -0.001 45.104 45.100 0.009 0.000 0.632 528 G HN 0.605 nan 8.290 nan 0.000 0.529 529 E N 1.138 121.356 120.200 0.031 0.000 2.338 529 E HA 0.588 4.938 4.350 -0.000 0.000 0.272 529 E C 1.377 177.999 176.600 0.037 0.000 1.029 529 E CA 0.640 57.071 56.400 0.051 0.000 0.872 529 E CB 0.837 30.593 29.700 0.095 0.000 1.015 529 E HN 0.561 nan 8.360 nan 0.000 0.417 530 T N 0.629 115.201 114.554 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 -0.435 61.677 62.100 0.020 0.000 0.894 530 T CB 0.108 68.987 68.868 0.019 0.000 1.160 530 T HN 0.243 nan 8.240 nan 0.000 0.532 531 R N 2.166 122.669 120.500 0.004 0.000 2.707 531 R HA 0.470 4.809 4.340 -0.000 0.000 0.270 531 R C -2.542 173.736 176.300 -0.036 0.000 1.083 531 R CA -1.736 54.355 56.100 -0.015 0.000 1.182 531 R CB 0.039 30.323 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 2.053 123.187 121.223 -0.150 0.000 2.376 533 L HA 0.583 4.923 4.340 -0.000 0.000 0.275 533 L C -1.168 175.563 176.870 -0.231 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 5.744 126.181 120.570 -0.221 0.000 2.500 534 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 534 I C -0.789 175.235 176.117 -0.154 0.000 1.063 534 I CA -0.557 60.606 61.300 -0.229 0.000 1.062 534 I CB 2.040 39.960 38.000 -0.134 0.000 1.223 534 I HN 0.482 nan 8.210 nan 0.000 0.435 535 L N 5.668 126.772 121.223 -0.198 0.000 2.410 535 L HA 0.051 4.391 4.340 -0.000 0.000 0.273 535 L C 1.501 178.441 176.870 0.115 0.000 1.144 535 L CA -0.183 54.602 54.840 -0.092 0.000 0.863 535 L CB 0.732 42.706 42.059 -0.143 0.000 1.140 535 L HN 0.870 nan 8.230 nan 0.000 0.463 536 C N 0.602 119.947 119.300 0.075 0.000 2.446 536 C HA 0.096 4.556 4.460 -0.000 0.000 0.279 536 C C 0.646 175.756 174.990 0.200 0.000 1.366 536 C CA -0.081 59.014 59.018 0.128 0.000 1.763 536 C CB -0.984 26.744 27.740 -0.021 0.000 1.929 536 C HN 0.825 nan 8.230 nan 0.000 0.509 537 E N -0.827 119.422 120.200 0.081 0.000 2.304 537 E HA 0.607 4.957 4.350 -0.000 0.000 0.277 537 E C -1.302 175.249 176.600 -0.081 0.000 0.898 537 E CA -0.396 56.045 56.400 0.070 0.000 0.764 537 E CB 1.834 31.413 29.700 -0.202 0.000 1.216 537 E HN 0.692 nan 8.360 nan 0.000 0.419 538 Y N -0.914 119.378 120.300 -0.014 0.000 2.670 538 Y HA 0.668 5.218 4.550 -0.000 0.000 0.334 538 Y C -0.594 175.474 175.900 0.280 0.000 1.185 538 Y CA -0.996 57.106 58.100 0.005 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 1.929 124.809 122.820 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 1.039 53.127 52.037 0.086 0.000 0.738 539 A CB -2.495 16.419 19.000 -0.143 0.000 1.149 539 A HN 1.058 nan 8.150 nan 0.000 0.364 540 H N 0.861 120.084 119.070 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 0.793 57.002 56.048 0.267 0.000 1.435 540 H CB 0.348 30.146 29.762 0.060 0.000 1.533 540 H HN 0.816 nan 8.280 nan 0.000 0.525 541 A N 6.441 129.197 122.820 -0.107 0.000 2.426 541 A HA 0.019 4.339 4.320 -0.000 0.000 0.247 541 A C 0.986 178.440 177.584 -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 1.346 120.807 119.600 -0.232 0.000 2.156 542 M HA 0.432 4.912 4.480 -0.000 0.000 0.345 542 M C 0.976 177.125 176.300 -0.251 0.000 1.398 542 M CA 1.239 56.405 55.300 -0.223 0.000 1.148 542 M CB -0.321 32.194 32.600 -0.143 0.000 1.663 542 M HN 0.796 nan 8.290 nan 0.000 0.464 543 G N 4.328 112.957 108.800 -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 -0.045 44.732 45.100 -0.538 0.000 0.951 543 G HN 0.817 nan 8.290 nan 0.000 0.566 544 N N 1.349 119.449 118.700 -1.000 0.000 2.421 544 N HA 0.525 5.265 4.740 -0.000 0.000 0.260 544 N C -0.007 175.247 175.510 -0.427 0.000 1.173 544 N CA 1.086 53.677 53.050 -0.765 0.000 0.960 544 N CB 0.526 38.571 38.487 -0.736 0.000 1.273 544 N HN 0.792 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 -0.194 174.333 174.600 -0.122 0.000 1.171 545 S CA -0.396 57.695 58.200 -0.182 0.000 0.882 545 S CB 0.169 63.285 63.200 -0.141 0.000 1.301 545 S HN 0.396 nan 8.310 nan 0.000 0.629 546 L N 0.195 121.378 121.223 -0.067 0.000 4.613 546 L HA -0.067 4.273 4.340 -0.000 0.000 0.409 546 L C 0.460 177.361 176.870 0.051 0.000 1.100 546 L CA 0.894 55.714 54.840 -0.033 0.000 1.029 546 L CB -1.712 40.240 42.059 -0.178 0.000 2.137 546 L HN 0.702 nan 8.230 nan 0.000 0.713 547 G N -0.855 107.951 108.800 0.009 0.000 2.378 547 G HA2 0.487 4.447 3.960 -0.000 0.000 0.255 547 G HA3 0.487 4.447 3.960 -0.000 0.000 0.255 547 G C 1.210 176.162 174.900 0.086 0.000 1.270 547 G CA 0.149 45.238 45.100 -0.019 0.000 0.876 547 G HN 1.375 nan 8.290 nan 0.000 0.521 548 G N 1.584 110.439 108.800 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 1.000 176.105 174.900 0.341 0.000 0.982 548 G CA 0.718 45.932 45.100 0.190 0.000 0.641 548 G HN 0.775 nan 8.290 nan 0.000 0.527 549 F N 1.872 121.950 119.950 0.214 0.000 2.126 549 F HA 0.119 4.646 4.527 -0.000 0.000 0.299 549 F C 2.668 178.691 175.800 0.371 0.000 1.096 549 F CA 2.549 60.742 58.000 0.323 0.000 1.255 549 F CB -0.436 38.682 39.000 0.197 0.000 0.997 549 F HN 0.351 nan 8.300 nan 0.000 0.479 550 A N -0.124 122.854 122.820 0.263 0.000 1.972 550 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 550 A C 2.298 179.901 177.584 0.032 0.000 1.169 550 A CA 1.618 53.739 52.037 0.141 0.000 0.635 550 A CB -0.663 18.428 19.000 0.152 0.000 0.810 550 A HN 0.408 nan 8.150 nan 0.000 0.446 551 K N -1.446 118.961 120.400 0.012 0.000 2.063 551 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 551 K C 1.809 178.192 176.600 -0.363 0.000 1.048 551 K CA 1.937 58.141 56.287 -0.139 0.000 0.928 551 K CB -0.385 32.008 32.500 -0.178 0.000 0.713 551 K HN 0.673 nan 8.250 nan 0.000 0.442 552 Y N -0.689 119.346 120.300 -0.440 0.000 2.145 552 Y HA -0.259 4.291 4.550 -0.000 0.000 0.286 552 Y C 2.173 177.144 175.900 -1.548 0.000 1.145 552 Y CA 1.362 58.849 58.100 -1.021 0.000 1.148 552 Y CB -0.397 37.467 38.460 -0.994 0.000 0.981 552 Y HN 0.170 nan 8.280 nan 0.000 0.507 553 W N 0.148 121.042 121.300 -0.676 0.000 2.374 553 W HA -0.191 4.469 4.660 -0.000 0.000 0.288 553 W C 2.593 178.933 176.519 -0.298 0.000 1.218 553 W CA 1.585 58.647 57.345 -0.471 0.000 1.245 553 W CB -0.546 28.724 29.460 -0.317 0.000 1.126 553 W HN 0.112 nan 8.180 nan 0.000 0.545 554 Q N -0.028 119.674 119.800 -0.164 0.000 2.079 554 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 554 Q C 2.330 178.259 176.000 -0.118 0.000 0.974 554 Q CA 1.687 57.438 55.803 -0.088 0.000 0.840 554 Q CB -0.331 28.370 28.738 -0.062 0.000 0.898 554 Q HN 0.257 nan 8.270 nan 0.000 0.430 555 A N 0.153 122.809 122.820 -0.274 0.000 1.902 555 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 555 A C 1.828 179.367 177.584 -0.076 0.000 1.181 555 A CA 1.025 52.938 52.037 -0.207 0.000 0.623 555 A CB -1.001 17.750 19.000 -0.414 0.000 0.818 555 A HN 0.471 nan 8.150 nan 0.000 0.443 556 F N -0.592 119.185 119.950 -0.290 0.000 2.161 556 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 556 F C 2.719 178.421 175.800 -0.164 0.000 1.089 556 F CA 1.082 58.883 58.000 -0.333 0.000 1.282 556 F CB -0.134 38.462 39.000 -0.674 0.000 1.010 556 F HN 0.143 nan 8.300 nan 0.000 0.485 557 R N -0.001 120.557 120.500 0.097 0.000 2.148 557 R HA -0.149 4.191 4.340 -0.000 0.000 0.223 557 R C 2.113 178.451 176.300 0.064 0.000 1.088 557 R CA 1.006 57.150 56.100 0.075 0.000 0.985 557 R CB -0.247 30.093 30.300 0.067 0.000 0.880 557 R HN 0.374 nan 8.270 nan 0.000 0.451 558 Q N -0.571 119.294 119.800 0.109 0.000 2.302 558 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 558 Q C -0.560 175.471 176.000 0.051 0.000 0.936 558 Q CA 0.701 56.557 55.803 0.089 0.000 0.886 558 Q CB 0.472 29.286 28.738 0.127 0.000 0.986 558 Q HN 0.167 nan 8.270 nan 0.000 0.487 559 Y N 0.113 120.395 120.300 -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 0.082 nan 8.280 nan 0.000 0.478 560 P HA -0.150 nan 4.420 nan 0.000 0.215 560 P C 1.109 178.415 177.300 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 0.089 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 0.196 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 -0.010 0.000 2.302 562 L HA 0.147 4.487 4.340 -0.000 0.000 0.285 562 L C 0.723 177.452 176.870 -0.234 0.000 1.090 562 L CA 0.061 54.848 54.840 -0.087 0.000 0.866 562 L CB 1.181 43.260 42.059 0.034 0.000 1.244 562 L HN 0.035 nan 8.230 nan 0.000 0.435 563 Q N 2.682 122.279 119.800 -0.338 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 0.940 29.530 28.738 -0.248 0.000 1.075 563 Q HN 0.938 nan 8.270 nan 0.000 0.483 564 G N -0.388 107.650 108.800 -1.270 0.000 2.337 564 G HA2 0.169 4.129 3.960 -0.000 0.000 0.197 564 G HA3 0.169 4.129 3.960 -0.000 0.000 0.197 564 G C -0.434 173.681 174.900 -1.308 0.000 1.238 564 G CA -0.738 43.297 45.100 -1.775 0.000 1.119 564 G HN 0.525 nan 8.290 nan 0.000 0.514 565 G N -2.166 106.122 108.800 -0.853 0.000 2.342 565 G HA2 0.651 4.611 3.960 -0.000 0.000 0.297 565 G HA3 0.651 4.611 3.960 -0.000 0.000 0.297 565 G C -1.935 172.865 174.900 -0.166 0.000 1.313 565 G CA -0.350 44.466 45.100 -0.473 0.000 0.830 565 G HN 1.124 nan 8.290 nan 0.000 0.506 566 F N 0.613 120.794 119.950 0.385 0.000 2.460 566 F HA 0.533 5.060 4.527 -0.000 0.000 0.341 566 F C 0.724 176.817 175.800 0.488 0.000 1.130 566 F CA -0.754 57.501 58.000 0.426 0.000 0.962 566 F CB 2.117 41.269 39.000 0.254 0.000 1.171 566 F HN 0.260 nan 8.300 nan 0.000 0.436 567 V N 3.078 123.304 119.914 0.519 0.000 2.963 567 V HA -0.091 4.029 4.120 -0.000 0.000 0.306 567 V C -0.319 175.954 176.094 0.299 0.000 1.077 567 V CA -0.333 62.089 62.300 0.203 0.000 1.124 567 V CB 0.943 32.864 31.823 0.164 0.000 0.987 567 V HN 0.779 nan 8.190 nan 0.000 0.487 568 W N 5.995 127.370 121.300 0.126 0.000 2.336 568 W HA 0.468 5.128 4.660 -0.000 0.000 0.315 568 W C -1.047 175.491 176.519 0.031 0.000 1.016 568 W CA -0.685 56.766 57.345 0.176 0.000 1.318 568 W CB 1.428 31.136 29.460 0.413 0.000 1.247 568 W HN 0.916 nan 8.180 nan 0.000 0.414 569 D N 2.646 122.717 120.400 -0.548 0.000 2.812 569 D HA 0.122 4.762 4.640 -0.000 0.000 0.318 569 D C 0.676 176.762 176.300 -0.358 0.000 1.234 569 D CA -0.558 53.012 54.000 -0.716 0.000 0.989 569 D CB 0.282 40.126 40.800 -1.595 0.000 1.442 569 D HN 0.411 nan 8.370 nan 0.000 0.537 570 W N 0.571 121.564 121.300 -0.512 0.000 2.381 570 W HA 0.080 4.740 4.660 -0.000 0.000 0.321 570 W C -0.124 176.169 176.519 -0.377 0.000 1.196 570 W CA 1.362 58.460 57.345 -0.411 0.000 1.304 570 W CB 0.195 29.443 29.460 -0.354 0.000 1.166 570 W HN 0.224 nan 8.180 nan 0.000 0.473 571 V N 0.805 120.527 119.914 -0.320 0.000 2.715 571 V HA 0.295 4.415 4.120 -0.000 0.000 0.310 571 V C -0.537 175.359 176.094 -0.330 0.000 1.054 571 V CA -1.125 60.917 62.300 -0.430 0.000 0.928 571 V CB 1.322 33.014 31.823 -0.219 0.000 1.007 571 V HN -0.125 nan 8.190 nan 0.000 0.437 572 D N 2.060 122.270 120.400 -0.317 0.000 2.455 572 D HA 0.130 4.770 4.640 -0.000 0.000 0.241 572 D C 0.193 176.344 176.300 -0.248 0.000 1.138 572 D CA 0.533 54.401 54.000 -0.220 0.000 0.877 572 D CB 1.064 41.818 40.800 -0.076 0.000 1.187 572 D HN 0.651 nan 8.370 nan 0.000 0.451 573 Q N 1.165 120.771 119.800 -0.323 0.000 3.135 573 Q HA 0.162 4.502 4.340 -0.000 0.000 0.344 573 Q C -0.367 175.630 176.000 -0.005 0.000 1.321 573 Q CA -0.374 55.070 55.803 -0.598 0.000 1.050 573 Q CB 0.198 28.634 28.738 -0.504 0.000 1.498 573 Q HN 0.349 nan 8.270 nan 0.000 0.503 574 S N -0.069 115.730 115.700 0.165 0.000 2.565 574 S HA 0.669 5.139 4.470 -0.000 0.000 0.290 574 S C -0.227 174.557 174.600 0.307 0.000 1.150 574 S CA -0.821 57.572 58.200 0.323 0.000 1.058 574 S CB 1.611 64.971 63.200 0.267 0.000 1.032 574 S HN 0.328 nan 8.310 nan 0.000 0.510 575 L N 1.800 123.137 121.223 0.190 0.000 2.334 575 L HA 0.573 4.913 4.340 -0.000 0.000 0.273 575 L C -0.377 176.419 176.870 -0.123 0.000 1.013 575 L CA -1.065 53.754 54.840 -0.035 0.000 0.816 575 L CB 1.547 43.454 42.059 -0.253 0.000 1.278 575 L HN 0.645 nan 8.230 nan 0.000 0.431 576 I N 2.274 122.712 120.570 -0.219 0.000 2.474 576 I HA 0.200 4.370 4.170 -0.000 0.000 0.287 576 I C 0.072 175.836 176.117 -0.588 0.000 1.048 576 I CA 0.199 61.252 61.300 -0.412 0.000 1.383 576 I CB 0.737 38.509 38.000 -0.379 0.000 1.412 576 I HN 0.525 nan 8.210 nan 0.000 0.531 577 K N 4.796 124.562 120.400 -1.056 0.000 2.433 577 K HA 0.585 4.905 4.320 -0.000 0.000 0.252 577 K C -1.745 174.088 176.600 -1.277 0.000 1.015 577 K CA -0.865 54.729 56.287 -1.155 0.000 0.860 577 K CB 2.343 33.858 32.500 -1.641 0.000 1.359 577 K HN 0.249 nan 8.250 nan 0.000 0.452 578 Y N 0.401 120.457 120.300 -0.406 0.000 2.499 578 Y HA 0.185 4.735 4.550 -0.000 0.000 0.347 578 Y C -0.154 175.859 175.900 0.189 0.000 0.987 578 Y CA -1.227 56.829 58.100 -0.072 0.000 1.044 578 Y CB 1.356 39.789 38.460 -0.046 0.000 1.245 578 Y HN 0.630 nan 8.280 nan 0.000 0.461 579 D N -0.273 120.391 120.400 0.440 0.000 2.340 579 D HA 0.163 4.803 4.640 -0.000 0.000 0.251 579 D C 0.480 176.894 176.300 0.189 0.000 1.080 579 D CA -0.660 53.518 54.000 0.298 0.000 0.971 579 D CB 0.989 41.901 40.800 0.186 0.000 1.137 579 D HN 0.562 nan 8.370 nan 0.000 0.475 580 E N 0.440 120.709 120.200 0.114 0.000 2.253 580 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 580 E C 0.661 177.295 176.600 0.057 0.000 1.014 580 E CA 1.400 57.839 56.400 0.066 0.000 0.823 580 E CB -0.613 29.110 29.700 0.037 0.000 0.736 580 E HN 0.432 nan 8.360 nan 0.000 0.478 581 N N 0.267 119.010 118.700 0.073 0.000 2.370 581 N HA 0.109 4.849 4.740 -0.000 0.000 0.198 581 N C 0.703 176.259 175.510 0.076 0.000 1.156 581 N CA 0.818 53.905 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 1.063 109.925 108.800 0.103 0.000 2.221 582 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.265 582 G HA3 -0.261 3.699 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 -0.307 44.857 45.100 0.107 0.000 0.807 582 G HN 0.272 nan 8.290 nan 0.000 0.502 583 N N 1.166 120.040 118.700 0.289 0.000 2.438 583 N HA 0.514 5.254 4.740 -0.000 0.000 0.282 583 N C -2.528 173.143 175.510 0.267 0.000 1.037 583 N CA -1.418 51.789 53.050 0.263 0.000 0.942 583 N CB 2.172 40.763 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 62.414 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 -0.284 120.745 121.300 -0.451 0.000 3.083 585 W HA 0.471 5.131 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 -1.124 55.977 57.345 -0.406 0.000 1.170 585 W CB 0.443 29.461 29.460 -0.738 0.000 1.437 585 W HN 0.096 nan 8.180 nan 0.000 0.557 586 S N 1.495 117.286 115.700 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 0.321 0.000 1.227 586 S CA -0.210 58.077 58.200 0.145 0.000 1.050 586 S CB 0.670 63.997 63.200 0.212 0.000 0.939 586 S HN 0.589 nan 8.310 nan 0.000 0.490 587 A N 3.261 126.128 122.820 0.077 0.000 2.340 587 A HA 0.867 5.187 4.320 -0.000 0.000 0.331 587 A C -0.742 177.119 177.584 0.463 0.000 1.140 587 A CA -0.726 51.392 52.037 0.134 0.000 0.801 587 A CB 0.670 19.472 19.000 -0.330 0.000 1.234 587 A HN 0.840 nan 8.150 nan 0.000 0.469 588 Y N -0.551 120.084 120.300 0.559 0.000 2.857 588 Y HA 0.771 5.321 4.550 -0.000 0.000 0.318 588 Y C 0.601 176.851 175.900 0.582 0.000 1.313 588 Y CA -1.433 56.976 58.100 0.515 0.000 1.117 588 Y CB 0.015 38.600 38.460 0.209 0.000 1.344 588 Y HN 0.945 nan 8.280 nan 0.000 0.525 589 G N 0.005 109.164 108.800 0.598 0.000 2.224 589 G HA2 0.360 4.320 3.960 -0.000 0.000 0.239 589 G HA3 0.360 4.320 3.960 -0.000 0.000 0.239 589 G C 0.985 176.211 174.900 0.543 0.000 1.240 589 G CA 0.489 45.876 45.100 0.479 0.000 0.896 589 G HN 2.020 nan 8.290 nan 0.000 0.496 590 G N 2.186 111.277 108.800 0.485 0.000 2.225 590 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.254 590 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.254 590 G C 0.914 176.019 174.900 0.341 0.000 0.988 590 G CA 0.712 46.036 45.100 0.374 0.000 0.625 590 G HN 0.656 nan 8.290 nan 0.000 0.527 591 D N -0.283 120.343 120.400 0.377 0.000 2.371 591 D HA 0.143 4.783 4.640 -0.000 0.000 0.221 591 D C 1.317 177.498 176.300 -0.197 0.000 0.986 591 D CA 0.545 54.602 54.000 0.094 0.000 0.899 591 D CB -0.189 40.608 40.800 -0.006 0.000 0.902 591 D HN 0.480 nan 8.370 nan 0.000 0.530 592 F N -1.021 119.051 119.950 0.203 0.000 2.683 592 F HA 0.313 4.840 4.527 -0.000 0.000 0.306 592 F C 1.772 177.656 175.800 0.140 0.000 1.102 592 F CA -0.173 57.908 58.000 0.135 0.000 1.244 592 F CB 0.721 39.796 39.000 0.125 0.000 1.029 592 F HN -0.058 nan 8.300 nan 0.000 0.545 593 G N 0.545 109.511 108.800 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 -0.159 174.882 174.900 0.234 0.000 0.977 593 G CA 0.133 45.359 45.100 0.210 0.000 0.652 593 G HN 0.423 nan 8.290 nan 0.000 0.531 594 D N 0.748 121.339 120.400 0.317 0.000 2.450 594 D HA 0.406 5.046 4.640 -0.000 0.000 0.247 594 D C -0.091 176.336 176.300 0.211 0.000 1.162 594 D CA 0.696 54.872 54.000 0.293 0.000 0.879 594 D CB 1.058 42.091 40.800 0.389 0.000 1.163 594 D HN 0.086 nan 8.370 nan 0.000 0.472 595 T N 2.840 117.490 114.554 0.160 0.000 2.971 595 T HA 0.451 4.801 4.350 -0.000 0.000 0.304 595 T C -2.368 172.375 174.700 0.071 0.000 1.038 595 T CA -0.979 61.183 62.100 0.104 0.000 1.007 595 T CB 1.965 70.889 68.868 0.093 0.000 1.055 595 T HN 0.400 nan 8.240 nan 0.000 0.451 596 P HA 0.501 nan 4.420 nan 0.000 0.278 596 P C -1.095 176.193 177.300 -0.021 0.000 1.258 596 P CA -0.691 62.408 63.100 -0.001 0.000 0.811 596 P CB 0.845 32.517 31.700 -0.047 0.000 1.063 597 N N -0.549 118.146 118.700 -0.008 0.000 2.571 597 N HA 0.201 4.941 4.740 -0.000 0.000 0.273 597 N C -1.016 174.471 175.510 -0.040 0.000 1.340 597 N CA -0.562 52.474 53.050 -0.024 0.000 0.789 597 N CB 1.637 40.204 38.487 0.133 0.000 1.514 597 N HN 0.231 nan 8.380 nan 0.000 0.499 598 D N -0.142 120.229 120.400 -0.047 0.000 2.593 598 D HA 0.124 4.764 4.640 -0.000 0.000 0.241 598 D C 0.571 177.105 176.300 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 41.747 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 0.992 177.285 176.300 -0.012 0.000 0.241 599 R CA 1.497 57.767 56.100 0.284 0.000 1.619 599 R CB -1.401 28.993 30.300 0.155 0.000 0.923 599 R HN 0.012 nan 8.270 nan 0.000 0.598 600 Q N 0.638 120.123 119.800 -0.526 0.000 2.437 600 Q HA 0.095 4.435 4.340 -0.000 0.000 0.210 600 Q C 1.832 177.536 176.000 -0.493 0.000 0.972 600 Q CA 1.749 57.080 55.803 -0.787 0.000 0.903 600 Q CB -0.251 27.900 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 -0.189 0.000 2.323 601 F HA -0.246 4.281 4.527 -0.000 0.000 0.301 601 F C 1.908 177.640 175.800 -0.114 0.000 1.060 601 F CA 1.013 58.992 58.000 -0.034 0.000 1.398 601 F CB -0.459 38.597 39.000 0.094 0.000 1.075 601 F HN 0.338 nan 8.300 nan 0.000 0.540 602 C N -1.574 117.445 119.300 -0.469 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 -0.532 58.061 59.018 -0.710 0.000 1.742 602 C CB -1.622 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 2.948 122.399 119.600 -0.247 0.000 2.060 603 M HA 0.346 4.826 4.480 -0.000 0.000 0.342 603 M C -0.527 175.666 176.300 -0.179 0.000 1.031 603 M CA 0.216 55.408 55.300 -0.181 0.000 0.981 603 M CB 0.546 33.071 32.600 -0.125 0.000 1.376 603 M HN 0.179 nan 8.290 nan 0.000 0.397 604 N N 1.528 120.119 118.700 -0.181 0.000 2.307 604 N HA 0.195 4.935 4.740 -0.000 0.000 0.248 604 N C 0.121 175.437 175.510 -0.324 0.000 1.322 604 N CA -0.099 52.809 53.050 -0.236 0.000 0.861 604 N CB 1.393 39.826 38.487 -0.090 0.000 1.303 604 N HN 0.705 nan 8.380 nan 0.000 0.498 605 G N -0.250 108.321 108.800 -0.382 0.000 2.502 605 G HA2 0.485 4.445 3.960 -0.000 0.000 0.305 605 G HA3 0.485 4.445 3.960 -0.000 0.000 0.305 605 G C 0.820 175.288 174.900 -0.720 0.000 1.190 605 G CA -0.498 44.282 45.100 -0.533 0.000 0.933 605 G HN 0.115 nan 8.290 nan 0.000 0.503 606 L N -0.316 120.488 121.223 -0.699 0.000 2.446 606 L HA 0.162 4.502 4.340 -0.000 0.000 0.219 606 L C 0.684 176.957 176.870 -0.995 0.000 1.116 606 L CA 0.239 54.670 54.840 -0.681 0.000 0.844 606 L CB -0.103 41.702 42.059 -0.425 0.000 0.970 606 L HN 0.376 nan 8.230 nan 0.000 0.457 607 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 -1.219 60.494 62.300 -0.979 0.000 0.971 607 V CB 1.680 32.977 31.823 -0.877 0.000 1.028 607 V HN -0.132 nan 8.190 nan 0.000 0.430 608 F N 1.678 121.456 119.950 -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 0.511 58.470 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 1.083 123.991 122.820 0.147 0.000 2.042 609 A HA -0.286 4.034 4.320 -0.000 0.000 0.222 609 A C 1.531 179.091 177.584 -0.041 0.000 1.167 609 A CA 2.148 54.213 52.037 0.047 0.000 0.649 609 A CB -1.118 17.950 19.000 0.112 0.000 0.809 609 A HN 0.850 nan 8.150 nan 0.000 0.457 610 D N -3.266 117.130 120.400 -0.008 0.000 2.340 610 D HA 0.202 4.842 4.640 -0.000 0.000 0.220 610 D C 0.607 176.887 176.300 -0.034 0.000 1.039 610 D CA -0.017 53.951 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 -1.002 119.471 120.500 -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 -3.279 27.011 30.300 -0.017 0.000 1.365 611 R HN 0.567 nan 8.270 nan 0.000 0.502 612 T N -2.537 112.050 114.554 0.054 0.000 2.824 612 T HA 0.724 5.074 4.350 -0.000 0.000 0.280 612 T C -2.569 172.256 174.700 0.209 0.000 0.995 612 T CA -2.463 59.711 62.100 0.124 0.000 1.009 612 T CB 2.534 71.471 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 62.995 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 3.787 122.661 119.070 -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 -2.019 53.825 56.048 -0.341 0.000 1.343 614 H CB 0.709 30.233 29.762 -0.397 0.000 1.501 614 H HN 0.325 nan 8.280 nan 0.000 0.569 615 P HA -0.125 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 1.124 64.213 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 -0.035 122.782 122.820 -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 1.321 53.321 52.037 -0.061 0.000 0.643 616 A CB -1.646 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 -0.107 121.083 121.223 -0.055 0.000 2.127 617 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 617 L C 2.352 179.253 176.870 0.053 0.000 1.089 617 L CA 2.655 57.490 54.840 -0.008 0.000 0.757 617 L CB -0.773 41.279 42.059 -0.012 0.000 0.899 617 L HN 0.387 nan 8.230 nan 0.000 0.434 618 T N -1.356 113.236 114.554 0.063 0.000 2.904 618 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 618 T C 1.692 176.486 174.700 0.157 0.000 1.059 618 T CA 1.266 63.458 62.100 0.152 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 4.330 4.350 -0.000 0.000 0.193 619 E C 2.268 178.872 176.600 0.007 0.000 0.989 619 E CA 1.257 57.697 56.400 0.066 0.000 0.800 619 E CB -0.523 29.186 29.700 0.016 0.000 0.746 619 E HN 0.428 nan 8.360 nan 0.000 0.452 620 A N 1.022 123.741 122.820 -0.169 0.000 1.902 620 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 620 A C 2.171 179.647 177.584 -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 -1.311 119.051 120.400 -0.063 0.000 2.063 621 K HA -0.276 4.044 4.320 -0.000 0.000 0.208 621 K C 2.067 178.561 176.600 -0.176 0.000 1.048 621 K CA 1.943 58.198 56.287 -0.054 0.000 0.928 621 K CB -0.325 32.281 32.500 0.177 0.000 0.713 621 K HN 0.643 nan 8.250 nan 0.000 0.442 622 H N 0.470 119.347 119.070 -0.321 0.000 2.299 622 H HA -0.008 4.548 4.556 -0.000 0.000 0.302 622 H C 1.969 177.013 175.328 -0.474 0.000 1.078 622 H CA 1.728 57.400 56.048 -0.626 0.000 1.323 622 H CB -0.004 29.388 29.762 -0.617 0.000 1.381 622 H HN 0.206 nan 8.280 nan 0.000 0.498 623 Q N 0.335 119.839 119.800 -0.493 0.000 2.226 623 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 623 Q C 1.631 177.096 176.000 -0.892 0.000 0.975 623 Q CA 1.343 56.784 55.803 -0.602 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 0.883 120.135 119.800 -0.914 0.000 2.320 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.201 624 Q C 0.180 175.627 176.000 -0.921 0.000 0.910 624 Q CA -0.268 54.851 55.803 -1.141 0.000 0.946 624 Q CB 0.194 28.288 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 -0.590 0.000 1.059 625 Q CA 0.267 55.791 55.803 -0.465 0.000 0.923 625 Q CB 0.410 29.015 28.738 -0.222 0.000 1.283 625 Q HN 0.177 nan 8.270 nan 0.000 0.447 626 F N 0.372 120.073 119.950 -0.414 0.000 2.797 626 F HA 0.289 4.816 4.527 -0.000 0.000 0.302 626 F C -0.234 175.005 175.800 -0.935 0.000 1.130 626 F CA -0.063 57.465 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 0.178 120.054 119.950 -0.123 0.000 2.520 627 F HA 0.481 5.008 4.527 -0.000 0.000 0.322 627 F C -0.095 175.390 175.800 -0.525 0.000 1.103 627 F CA -1.045 56.790 58.000 -0.276 0.000 0.926 627 F CB 1.348 40.199 39.000 -0.249 0.000 1.154 627 F HN -0.319 nan 8.300 nan 0.000 0.453 628 Q N 3.047 122.597 119.800 -0.417 0.000 2.377 628 Q HA 0.552 4.892 4.340 -0.000 0.000 0.271 628 Q C -1.457 174.198 176.000 -0.575 0.000 1.077 628 Q CA -0.704 54.850 55.803 -0.415 0.000 0.820 628 Q CB 3.152 31.794 28.738 -0.161 0.000 1.347 628 Q HN 0.552 nan 8.270 nan 0.000 0.444 629 F N 0.223 120.298 119.950 0.209 0.000 2.546 629 F HA 0.598 5.125 4.527 -0.000 0.000 0.320 629 F C 0.390 176.418 175.800 0.379 0.000 1.076 629 F CA -0.841 57.352 58.000 0.321 0.000 0.928 629 F CB 2.124 41.422 39.000 0.497 0.000 1.189 629 F HN 0.123 nan 8.300 nan 0.000 0.465 630 R N 1.732 122.537 120.500 0.510 0.000 2.686 630 R HA 0.654 4.994 4.340 -0.000 0.000 0.283 630 R C -2.007 174.361 176.300 0.113 0.000 0.978 630 R CA -1.192 55.109 56.100 0.335 0.000 0.897 630 R CB 2.687 33.089 30.300 0.170 0.000 1.192 630 R HN 0.591 nan 8.270 nan 0.000 0.457 631 L N 1.343 122.503 121.223 -0.105 0.000 2.305 631 L HA 0.474 4.814 4.340 -0.000 0.000 0.284 631 L C -1.024 175.689 176.870 -0.262 0.000 1.013 631 L CA 0.170 54.725 54.840 -0.476 0.000 0.819 631 L CB 1.958 43.280 42.059 -1.229 0.000 1.227 631 L HN 0.458 nan 8.230 nan 0.000 0.417 632 S N 3.714 119.289 115.700 -0.208 0.000 2.774 632 S HA 0.688 5.158 4.470 -0.000 0.000 0.297 632 S C 0.407 174.922 174.600 -0.142 0.000 1.143 632 S CA 0.206 58.325 58.200 -0.135 0.000 1.090 632 S CB 0.379 63.534 63.200 -0.075 0.000 1.019 632 S HN 1.379 nan 8.310 nan 0.000 0.482 633 G N 4.198 112.912 108.800 -0.143 0.000 2.601 633 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.306 633 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.306 633 G C 0.389 175.187 174.900 -0.170 0.000 1.172 633 G CA 0.566 45.587 45.100 -0.132 0.000 0.966 633 G HN 0.623 nan 8.290 nan 0.000 0.542 634 Q N 1.129 120.834 119.800 -0.157 0.000 2.194 634 Q HA 0.214 4.554 4.340 -0.000 0.000 0.214 634 Q C 0.058 175.935 176.000 -0.203 0.000 0.838 634 Q CA 0.638 56.329 55.803 -0.187 0.000 0.972 634 Q CB 1.061 29.708 28.738 -0.151 0.000 1.131 634 Q HN 0.554 nan 8.270 nan 0.000 0.498 635 T N 1.191 115.638 114.554 -0.178 0.000 2.767 635 T HA 0.517 4.867 4.350 -0.000 0.000 0.284 635 T C 0.135 174.735 174.700 -0.166 0.000 0.973 635 T CA -0.290 61.722 62.100 -0.148 0.000 0.996 635 T CB 1.401 70.213 68.868 -0.094 0.000 0.927 635 T HN 0.020 nan 8.240 nan 0.000 0.456 636 I N 2.605 123.099 120.570 -0.128 0.000 2.359 636 I HA 0.311 4.481 4.170 -0.000 0.000 0.294 636 I C 0.479 176.626 176.117 0.051 0.000 0.987 636 I CA -0.611 60.647 61.300 -0.070 0.000 1.225 636 I CB 1.427 39.416 38.000 -0.017 0.000 1.366 636 I HN 0.615 nan 8.210 nan 0.000 0.466 637 E N 6.580 126.840 120.200 0.100 0.000 2.133 637 E HA 0.434 4.784 4.350 -0.000 0.000 0.274 637 E C -1.540 175.167 176.600 0.178 0.000 0.930 637 E CA -0.600 55.869 56.400 0.114 0.000 0.770 637 E CB 1.575 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 4.077 124.077 119.914 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 1.771 33.664 31.823 0.117 0.000 0.982 638 V HN 0.730 nan 8.190 nan 0.000 0.452 639 T N 3.139 117.673 114.554 -0.033 0.000 2.841 639 T HA 0.385 4.735 4.350 -0.000 0.000 0.283 639 T C -0.233 174.476 174.700 0.014 0.000 1.000 639 T CA -0.321 61.777 62.100 -0.003 0.000 0.977 639 T CB 1.633 70.478 68.868 -0.038 0.000 0.979 639 T HN 0.688 nan 8.240 nan 0.000 0.446 640 S N 1.608 117.327 115.700 0.032 0.000 2.508 640 S HA 0.282 4.752 4.470 -0.000 0.000 0.284 640 S C 0.504 175.008 174.600 -0.159 0.000 1.192 640 S CA -0.613 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 -0.966 175.486 176.600 -0.247 0.000 1.016 641 E CA -0.098 56.153 56.400 -0.248 0.000 0.962 641 E CB 0.349 29.894 29.700 -0.260 0.000 1.071 641 E HN 0.660 nan 8.360 nan 0.000 0.457 642 Y N 0.356 120.554 120.300 -0.171 0.000 2.299 642 Y HA 0.111 4.661 4.550 -0.000 0.000 0.326 642 Y C 1.357 177.099 175.900 -0.262 0.000 1.164 642 Y CA -0.275 57.698 58.100 -0.213 0.000 1.234 642 Y CB 0.988 39.300 38.460 -0.246 0.000 1.219 642 Y HN -0.003 nan 8.280 nan 0.000 0.497 643 L N 1.733 122.807 121.223 -0.249 0.000 2.463 643 L HA 0.060 4.400 4.340 -0.000 0.000 0.219 643 L C 0.602 176.999 176.870 -0.788 0.000 1.088 643 L CA 0.686 55.127 54.840 -0.666 0.000 0.849 643 L CB 0.051 41.335 42.059 -1.292 0.000 1.012 643 L HN 0.663 nan 8.230 nan 0.000 0.468 644 F N -0.386 119.583 119.950 0.031 0.000 2.699 644 F HA 0.199 4.726 4.527 -0.000 0.000 0.295 644 F C 1.289 177.070 175.800 -0.031 0.000 1.052 644 F CA -0.801 57.188 58.000 -0.017 0.000 1.239 644 F CB 0.333 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 0.092 120.626 120.500 0.056 0.000 2.573 645 R HA 0.463 4.803 4.340 -0.000 0.000 0.272 645 R C -0.990 175.299 176.300 -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 0.395 119.437 119.070 -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 -0.204 55.853 56.048 0.014 0.000 1.339 646 H CB 1.263 31.041 29.762 0.026 0.000 1.483 646 H HN 0.760 nan 8.280 nan 0.000 0.558 647 S N 2.464 118.019 115.700 -0.241 0.000 3.829 647 S HA -0.014 4.455 4.470 -0.000 0.000 0.250 647 S C -0.084 174.609 174.600 0.154 0.000 1.263 647 S CA -0.237 57.996 58.200 0.055 0.000 0.955 647 S CB -0.660 62.583 63.200 0.072 0.000 1.611 647 S HN 0.728 nan 8.310 nan 0.000 0.483 648 D N 0.718 121.220 120.400 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 -0.458 53.644 54.000 0.171 0.000 0.828 648 D CB -0.246 40.650 40.800 0.160 0.000 0.974 648 D HN 0.485 nan 8.370 nan 0.000 0.498 649 N N 0.170 118.928 118.700 0.096 0.000 2.605 649 N HA 0.133 4.873 4.740 -0.000 0.000 0.265 649 N C -1.629 173.938 175.510 0.095 0.000 1.625 649 N CA -0.151 52.945 53.050 0.077 0.000 0.862 649 N CB 0.278 38.798 38.487 0.055 0.000 1.415 649 N HN -0.024 nan 8.380 nan 0.000 0.513 650 E N 0.088 120.339 120.200 0.085 0.000 2.278 650 E HA 0.461 4.811 4.350 -0.000 0.000 0.272 650 E C -1.717 174.914 176.600 0.052 0.000 0.890 650 E CA -0.597 55.840 56.400 0.061 0.000 0.770 650 E CB 1.956 31.660 29.700 0.006 0.000 1.212 650 E HN 0.085 nan 8.360 nan 0.000 0.415 651 L N 3.128 124.390 121.223 0.064 0.000 2.362 651 L HA 0.554 4.894 4.340 -0.000 0.000 0.275 651 L C -1.508 175.448 176.870 0.143 0.000 0.998 651 L CA -0.926 53.984 54.840 0.117 0.000 0.820 651 L CB 1.633 43.788 42.059 0.159 0.000 1.270 651 L HN 0.594 nan 8.230 nan 0.000 0.415 652 L N 4.879 126.222 121.223 0.200 0.000 2.265 652 L HA 0.421 4.761 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 0.141 55.129 54.840 0.248 0.000 0.814 652 L CB 0.386 42.584 42.059 0.231 0.000 1.203 652 L HN 0.547 nan 8.230 nan 0.000 0.423 653 H N 5.936 125.070 119.070 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 -0.714 55.359 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 0.593 5.253 4.660 -0.000 0.000 0.349 654 W C -1.313 175.248 176.519 0.070 0.000 1.133 654 W CA -1.452 55.950 57.345 0.095 0.000 1.117 654 W CB 1.571 31.079 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 -2.669 173.872 176.300 0.402 0.000 1.128 655 M CA -0.464 55.041 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 3.159 123.293 119.914 0.367 0.000 2.459 656 V HA 1.024 5.144 4.120 -0.000 0.000 0.295 656 V C -0.176 176.037 176.094 0.199 0.000 1.029 656 V CA 0.007 62.483 62.300 0.295 0.000 0.874 656 V CB 1.234 33.231 31.823 0.290 0.000 0.985 656 V HN 1.085 nan 8.190 nan 0.000 0.438 657 A N 4.485 127.432 122.820 0.212 0.000 2.515 657 A HA 0.879 5.199 4.320 -0.000 0.000 0.298 657 A C -1.526 176.190 177.584 0.220 0.000 1.059 657 A CA -0.592 51.540 52.037 0.159 0.000 0.698 657 A CB 1.768 20.821 19.000 0.089 0.000 1.289 657 A HN 0.870 nan 8.150 nan 0.000 0.404 658 L N 1.492 122.810 121.223 0.158 0.000 2.295 658 L HA 0.581 4.921 4.340 -0.000 0.000 0.281 658 L C -0.631 176.343 176.870 0.174 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 0.116 0.000 1.218 658 L HN 0.760 nan 8.230 nan 0.000 0.424 659 D N 4.476 125.047 120.400 0.285 0.000 2.751 659 D HA -0.198 4.442 4.640 -0.000 0.000 0.233 659 D C 1.115 177.440 176.300 0.041 0.000 1.149 659 D CA 1.624 55.771 54.000 0.245 0.000 0.682 659 D CB -1.114 39.801 40.800 0.192 0.000 1.068 659 D HN 1.168 nan 8.370 nan 0.000 0.429 660 G N -1.378 107.404 108.800 -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 0.379 45.356 45.100 -0.205 0.000 0.623 660 G HN 0.450 nan 8.290 nan 0.000 0.514 661 K N 1.981 122.357 120.400 -0.040 0.000 2.211 661 K HA 0.588 4.908 4.320 -0.000 0.000 0.275 661 K C -2.684 173.916 176.600 0.000 0.000 1.024 661 K CA -2.022 54.246 56.287 -0.030 0.000 0.887 661 K CB 1.924 34.418 32.500 -0.010 0.000 1.084 661 K HN 0.064 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 -0.216 62.881 63.100 -0.005 0.000 0.778 662 P CB 0.827 32.501 31.700 -0.043 0.000 0.895 663 L N 1.344 122.595 121.223 0.047 0.000 2.685 663 L HA 0.536 4.876 4.340 -0.000 0.000 0.235 663 L C 0.813 177.720 176.870 0.063 0.000 1.070 663 L CA 0.203 55.076 54.840 0.055 0.000 0.888 663 L CB 0.212 42.319 42.059 0.081 0.000 1.203 663 L HN 0.346 nan 8.230 nan 0.000 0.499 664 A N -0.144 122.726 122.820 0.083 0.000 2.577 664 A HA 0.718 5.038 4.320 -0.000 0.000 0.297 664 A C -0.965 176.558 177.584 -0.102 0.000 1.060 664 A CA -0.340 51.744 52.037 0.078 0.000 0.697 664 A CB 1.493 20.665 19.000 0.287 0.000 1.281 664 A HN -0.001 nan 8.150 nan 0.000 0.402 665 S N -0.282 115.131 115.700 -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 2.015 64.919 63.200 -0.492 0.000 1.108 665 S HN 2.156 nan 8.310 nan 0.000 0.477 666 G N 0.036 107.705 108.800 -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 -1.343 175.306 176.600 0.082 0.000 0.881 667 E CA -0.649 55.664 56.400 -0.145 0.000 0.754 667 E CB 3.066 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 3.808 123.821 119.914 0.164 0.000 2.808 668 V HA 0.464 4.584 4.120 -0.000 0.000 0.308 668 V C -2.548 173.632 176.094 0.144 0.000 1.099 668 V CA -1.778 60.618 62.300 0.161 0.000 0.920 668 V CB 2.214 34.153 31.823 0.193 0.000 1.014 668 V HN 0.569 nan 8.190 nan 0.000 0.425 669 P HA 0.428 nan 4.420 nan 0.000 0.290 669 P C -0.885 176.467 177.300 0.087 0.000 1.276 669 P CA -0.376 62.782 63.100 0.097 0.000 0.808 669 P CB 1.132 32.884 31.700 0.086 0.000 0.966 670 L N 2.735 123.995 121.223 0.062 0.000 2.371 670 L HA 0.302 4.641 4.340 -0.000 0.000 0.272 670 L C 0.437 177.346 176.870 0.065 0.000 1.124 670 L CA 0.368 55.228 54.840 0.032 0.000 0.816 670 L CB 0.401 42.417 42.059 -0.071 0.000 1.129 670 L HN 0.351 nan 8.230 nan 0.000 0.448 671 D N 2.270 122.709 120.400 0.065 0.000 2.517 671 D HA 0.355 4.995 4.640 -0.000 0.000 0.263 671 D C -1.267 175.025 176.300 -0.013 0.000 1.233 671 D CA -0.089 53.985 54.000 0.123 0.000 0.849 671 D CB 0.903 41.821 40.800 0.197 0.000 1.261 671 D HN 0.084 nan 8.370 nan 0.000 0.516 672 V N 0.563 120.324 119.914 -0.256 0.000 2.540 672 V HA 0.901 5.021 4.120 -0.000 0.000 0.302 672 V C 0.645 176.470 176.094 -0.449 0.000 1.035 672 V CA -1.362 60.830 62.300 -0.181 0.000 0.873 672 V CB 1.423 33.273 31.823 0.045 0.000 0.992 672 V HN 0.420 nan 8.190 nan 0.000 0.428 673 A N 5.651 128.380 122.820 -0.152 0.000 2.351 673 A HA 0.766 5.086 4.320 -0.000 0.000 0.257 673 A C -2.341 175.255 177.584 0.020 0.000 1.087 673 A CA -1.624 50.423 52.037 0.017 0.000 0.798 673 A CB -0.067 19.012 19.000 0.132 0.000 1.033 673 A HN 0.719 nan 8.150 nan 0.000 0.488 674 P HA 0.030 nan 4.420 nan 0.000 0.261 674 P C -0.486 176.813 177.300 -0.002 0.000 1.183 674 P CA 0.663 63.779 63.100 0.026 0.000 0.761 674 P CB 0.361 32.060 31.700 -0.002 0.000 0.785 675 Q N -0.760 119.028 119.800 -0.020 0.000 2.460 675 Q HA -0.161 4.179 4.340 -0.000 0.000 0.248 675 Q C 0.690 176.686 176.000 -0.006 0.000 0.847 675 Q CA 1.300 57.084 55.803 -0.031 0.000 1.214 675 Q CB -2.213 26.495 28.738 -0.051 0.000 1.523 675 Q HN 0.762 nan 8.270 nan 0.000 0.602 676 G N 0.267 109.076 108.800 0.015 0.000 2.705 676 G HA2 0.641 4.601 3.960 -0.000 0.000 0.299 676 G HA3 0.641 4.601 3.960 -0.000 0.000 0.299 676 G C -0.638 174.283 174.900 0.035 0.000 1.315 676 G CA -0.626 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 0.498 4.818 4.320 -0.000 0.000 0.246 677 K C -0.911 175.721 176.600 0.054 0.000 0.955 677 K CA -0.566 55.748 56.287 0.045 0.000 0.817 677 K CB 2.408 34.929 32.500 0.036 0.000 1.208 677 K HN 0.511 nan 8.250 nan 0.000 0.432 678 Q N 3.118 122.955 119.800 0.063 0.000 2.289 678 Q HA 0.359 4.699 4.340 -0.000 0.000 0.270 678 Q C -1.664 174.376 176.000 0.067 0.000 1.038 678 Q CA -0.629 55.213 55.803 0.066 0.000 0.812 678 Q CB 1.356 30.137 28.738 0.072 0.000 1.300 678 Q HN 0.534 nan 8.270 nan 0.000 0.427 679 L N 5.220 126.474 121.223 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 -0.646 54.217 54.840 0.038 0.000 0.807 679 L CB 1.236 43.307 42.059 0.021 0.000 1.209 679 L HN 0.605 nan 8.230 nan 0.000 0.423 680 I N 3.174 123.759 120.570 0.025 0.000 2.382 680 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 680 I C -0.151 175.937 176.117 -0.049 0.000 1.002 680 I CA -0.680 60.625 61.300 0.008 0.000 1.135 680 I CB 1.898 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 6.791 126.963 120.200 -0.046 0.000 2.180 681 E HA 0.356 4.706 4.350 -0.000 0.000 0.283 681 E C -0.590 175.936 176.600 -0.122 0.000 1.061 681 E CA -0.289 56.066 56.400 -0.075 0.000 0.861 681 E CB 1.294 30.969 29.700 -0.041 0.000 1.056 681 E HN 0.474 nan 8.360 nan 0.000 0.407 682 L N 6.130 127.237 121.223 -0.193 0.000 2.326 682 L HA 0.296 4.636 4.340 -0.000 0.000 0.278 682 L C -1.775 174.981 176.870 -0.189 0.000 1.092 682 L CA -1.825 52.838 54.840 -0.296 0.000 0.810 682 L CB 1.028 42.815 42.059 -0.453 0.000 1.153 682 L HN 0.245 nan 8.230 nan 0.000 0.439 683 P HA -0.021 nan 4.420 nan 0.000 0.270 683 P C -0.473 176.783 177.300 -0.074 0.000 1.223 683 P CA -0.295 62.774 63.100 -0.051 0.000 0.785 683 P CB 0.510 32.238 31.700 0.047 0.000 0.923 684 E N 0.818 120.998 120.200 -0.033 0.000 2.480 684 E HA 0.040 4.390 4.350 -0.000 0.000 0.258 684 E C -0.252 176.338 176.600 -0.017 0.000 0.984 684 E CA 0.013 56.393 56.400 -0.034 0.000 0.930 684 E CB 0.144 29.833 29.700 -0.019 0.000 0.936 684 E HN 0.325 nan 8.360 nan 0.000 0.466 685 L N 6.449 127.648 121.223 -0.039 0.000 2.350 685 L HA 0.303 4.643 4.340 -0.000 0.000 0.275 685 L C -1.868 175.009 176.870 0.012 0.000 1.099 685 L CA -2.112 52.719 54.840 -0.014 0.000 0.808 685 L CB 0.529 42.558 42.059 -0.050 0.000 1.149 685 L HN 0.424 nan 8.230 nan 0.000 0.442 686 P HA 0.054 nan 4.420 nan 0.000 0.268 686 P C -1.139 176.177 177.300 0.028 0.000 1.205 686 P CA -0.195 62.930 63.100 0.042 0.000 0.771 686 P CB 0.529 32.267 31.700 0.064 0.000 0.858 687 Q N 2.219 122.031 119.800 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 0.410 29.150 28.738 0.002 0.000 1.280 687 Q HN 0.424 nan 8.270 nan 0.000 0.441 688 P HA -0.045 nan 4.420 nan 0.000 0.267 688 P C -0.013 177.300 177.300 0.022 0.000 1.201 688 P CA 0.151 63.267 63.100 0.027 0.000 0.775 688 P CB 1.239 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 -0.322 29.389 29.700 0.017 0.000 0.816 689 E HN 0.525 nan 8.360 nan 0.000 0.475 690 S N 1.630 117.347 115.700 0.027 0.000 2.550 690 S HA 0.180 4.650 4.470 -0.000 0.000 0.285 690 S C 0.409 175.032 174.600 0.038 0.000 1.326 690 S CA 0.017 58.237 58.200 0.033 0.000 1.037 690 S CB 0.663 63.884 63.200 0.035 0.000 0.838 690 S HN 0.275 nan 8.310 nan 0.000 0.519 691 A N 1.572 124.417 122.820 0.042 0.000 2.322 691 A HA 0.792 5.112 4.320 -0.000 0.000 0.269 691 A C 0.888 178.510 177.584 0.062 0.000 1.094 691 A CA 0.210 52.275 52.037 0.047 0.000 0.807 691 A CB -0.050 18.978 19.000 0.048 0.000 1.047 691 A HN 1.882 nan 8.150 nan 0.000 0.487 692 G N -0.142 108.697 108.800 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 0.095 0.000 0.962 692 G HN 0.859 nan 8.290 nan 0.000 0.508 693 Q N -0.632 119.249 119.800 0.134 0.000 2.307 693 Q HA 0.620 4.960 4.340 -0.000 0.000 0.262 693 Q C -0.801 175.291 176.000 0.153 0.000 0.961 693 Q CA -0.762 55.083 55.803 0.068 0.000 0.882 693 Q CB 2.352 31.162 28.738 0.119 0.000 1.264 693 Q HN 0.513 nan 8.270 nan 0.000 0.446 694 L N 3.518 124.723 121.223 -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 0.057 54.930 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 5.447 126.814 121.300 0.111 0.000 2.915 695 W HA 0.565 5.225 4.660 -0.000 0.000 0.337 695 W C -1.116 175.510 176.519 0.179 0.000 1.102 695 W CA -0.680 56.754 57.345 0.148 0.000 1.224 695 W CB 1.725 31.298 29.460 0.188 0.000 1.416 695 W HN 0.292 nan 8.180 nan 0.000 0.503 696 L N 2.988 124.508 121.223 0.496 0.000 2.307 696 L HA 0.791 5.131 4.340 -0.000 0.000 0.284 696 L C -0.370 176.804 176.870 0.507 0.000 1.023 696 L CA 0.176 55.281 54.840 0.443 0.000 0.810 696 L CB 1.352 43.618 42.059 0.345 0.000 1.231 696 L HN 0.340 nan 8.230 nan 0.000 0.423 697 T N 4.961 119.755 114.554 0.401 0.000 2.848 697 T HA 0.663 5.013 4.350 -0.000 0.000 0.285 697 T C -0.831 174.045 174.700 0.294 0.000 0.995 697 T CA -0.430 61.852 62.100 0.303 0.000 0.970 697 T CB 1.577 70.561 68.868 0.193 0.000 0.976 697 T HN 0.601 nan 8.240 nan 0.000 0.441 698 V N 1.683 121.723 119.914 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 0.094 0.000 1.054 698 V CA -1.127 61.266 62.300 0.154 0.000 0.928 698 V CB 1.857 33.695 31.823 0.025 0.000 1.007 698 V HN 0.795 nan 8.190 nan 0.000 0.437 699 R N 2.104 122.687 120.500 0.137 0.000 2.673 699 R HA 0.802 5.142 4.340 -0.000 0.000 0.281 699 R C -1.628 174.750 176.300 0.131 0.000 0.991 699 R CA -0.667 55.522 56.100 0.148 0.000 0.896 699 R CB 2.684 33.018 30.300 0.056 0.000 1.201 699 R HN 0.712 nan 8.270 nan 0.000 0.457 700 V N 3.724 123.747 119.914 0.182 0.000 2.398 700 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 700 V C -0.426 175.712 176.094 0.073 0.000 1.026 700 V CA -0.619 61.761 62.300 0.134 0.000 0.868 700 V CB 1.718 33.648 31.823 0.177 0.000 0.982 700 V HN 0.437 nan 8.190 nan 0.000 0.443 701 V N 4.735 124.641 119.914 -0.013 0.000 2.628 701 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 701 V C -0.328 175.790 176.094 0.040 0.000 1.045 701 V CA -0.815 61.460 62.300 -0.042 0.000 0.905 701 V CB 1.982 33.670 31.823 -0.224 0.000 0.997 701 V HN 0.872 nan 8.190 nan 0.000 0.436 702 Q N 4.526 124.375 119.800 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 -1.784 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 1.349 64.466 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 -0.873 117.825 118.700 -0.003 0.000 2.456 704 N HA 0.459 5.199 4.740 -0.000 0.000 0.296 704 N C -0.359 175.107 175.510 -0.074 0.000 1.102 704 N CA -0.708 52.325 53.050 -0.028 0.000 0.924 704 N CB 0.873 39.346 38.487 -0.023 0.000 1.186 704 N HN -0.020 nan 8.380 nan 0.000 0.492 705 A N 0.491 123.259 122.820 -0.088 0.000 2.346 705 A HA 0.544 4.864 4.320 -0.000 0.000 0.252 705 A C 0.547 178.009 177.584 -0.204 0.000 1.089 705 A CA -0.072 51.874 52.037 -0.152 0.000 0.797 705 A CB 0.016 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 -3.514 110.834 114.554 -0.344 0.000 2.742 706 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 706 T C 0.852 175.360 174.700 -0.320 0.000 1.025 706 T CA 0.071 61.937 62.100 -0.391 0.000 1.020 706 T CB 1.077 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 -0.217 122.490 122.820 -0.189 0.000 2.119 707 A HA 0.162 4.482 4.320 -0.000 0.000 0.217 707 A C 1.571 179.260 177.584 0.175 0.000 1.153 707 A CA 0.784 52.853 52.037 0.054 0.000 0.692 707 A CB -0.805 18.318 19.000 0.205 0.000 0.799 707 A HN 0.897 nan 8.150 nan 0.000 0.458 708 W N -0.760 120.591 121.300 0.085 0.000 2.714 708 W HA 0.412 5.072 4.660 -0.000 0.000 0.353 708 W C -0.133 176.350 176.519 -0.060 0.000 0.999 708 W CA 0.458 57.817 57.345 0.023 0.000 1.629 708 W CB -1.003 28.465 29.460 0.013 0.000 1.106 708 W HN 0.395 nan 8.180 nan 0.000 0.545 709 S N 0.428 115.730 115.700 -0.664 0.000 2.556 709 S HA 0.443 4.913 4.470 -0.000 0.000 0.271 709 S C -0.513 173.856 174.600 -0.385 0.000 1.135 709 S CA -0.704 57.118 58.200 -0.631 0.000 0.858 709 S CB 2.767 65.213 63.200 -1.256 0.000 1.114 709 S HN 0.101 nan 8.310 nan 0.000 0.468 710 E N 0.875 120.958 120.200 -0.195 0.000 2.322 710 E HA 0.572 4.922 4.350 -0.000 0.000 0.257 710 E C 0.252 176.813 176.600 -0.065 0.000 1.155 710 E CA -0.886 55.459 56.400 -0.093 0.000 0.936 710 E CB 0.881 30.574 29.700 -0.012 0.000 1.130 710 E HN 0.874 nan 8.360 nan 0.000 0.465 711 A N -0.203 122.595 122.820 -0.037 0.000 2.425 711 A HA 0.451 4.771 4.320 -0.000 0.000 0.249 711 A C 1.034 178.628 177.584 0.017 0.000 1.084 711 A CA 0.537 52.564 52.037 -0.017 0.000 0.781 711 A CB -0.235 18.756 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 3.727 3.960 -0.000 0.000 0.242 712 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.242 712 G C 0.141 175.069 174.900 0.047 0.000 0.989 712 G CA 0.683 45.794 45.100 0.019 0.000 0.682 712 G HN 1.611 nan 8.290 nan 0.000 0.522 713 H N 0.451 119.513 119.070 -0.014 0.000 2.764 713 H HA 0.494 5.050 4.556 -0.000 0.000 0.341 713 H C 0.507 175.878 175.328 0.072 0.000 1.072 713 H CA -0.432 55.634 56.048 0.030 0.000 1.444 713 H CB 0.314 30.084 29.762 0.013 0.000 1.458 713 H HN 0.050 nan 8.280 nan 0.000 0.572 714 I N 4.765 125.066 120.570 -0.449 0.000 2.325 714 I HA 0.012 4.182 4.170 -0.000 0.000 0.291 714 I C 1.061 177.060 176.117 -0.196 0.000 1.019 714 I CA 0.154 61.327 61.300 -0.212 0.000 1.302 714 I CB 0.849 38.763 38.000 -0.143 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 4.051 119.849 115.700 0.163 0.000 2.526 715 S HA 0.624 5.094 4.470 -0.000 0.000 0.220 715 S C 0.498 175.366 174.600 0.446 0.000 1.017 715 S CA 0.060 58.483 58.200 0.372 0.000 0.930 715 S CB 0.721 64.248 63.200 0.546 0.000 0.856 715 S HN 0.721 nan 8.310 nan 0.000 0.497 716 A N 0.553 123.672 122.820 0.499 0.000 2.608 716 A HA 0.699 5.019 4.320 -0.000 0.000 0.292 716 A C -1.787 176.176 177.584 0.632 0.000 1.066 716 A CA -0.915 51.407 52.037 0.475 0.000 0.676 716 A CB 0.441 19.765 19.000 0.539 0.000 1.277 716 A HN 0.915 nan 8.150 nan 0.000 0.413 717 W N -0.452 121.010 121.300 0.271 0.000 2.959 717 W HA 0.813 5.473 4.660 -0.000 0.000 0.358 717 W C -1.155 175.391 176.519 0.046 0.000 1.228 717 W CA -0.635 56.752 57.345 0.069 0.000 1.183 717 W CB 1.167 30.610 29.460 -0.028 0.000 1.467 717 W HN 1.069 nan 8.180 nan 0.000 0.578 718 Q N 1.447 121.283 119.800 0.060 0.000 2.617 718 Q HA 0.334 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 2.539 122.052 119.800 -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 -0.240 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 0.137 0.000 1.418 719 Q HN 0.629 nan 8.270 nan 0.000 0.411 720 W N 2.006 123.498 121.300 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 -0.854 56.597 57.345 0.177 0.000 1.204 720 W CB 2.082 31.583 29.460 0.069 0.000 1.416 720 W HN 0.683 nan 8.180 nan 0.000 0.521 721 R N 2.263 122.646 120.500 -0.195 0.000 2.216 721 R HA 0.285 4.625 4.340 -0.000 0.000 0.332 721 R C 0.744 176.831 176.300 -0.355 0.000 1.056 721 R CA -0.048 55.551 56.100 -0.835 0.000 0.901 721 R CB 0.555 30.160 30.300 -1.160 0.000 1.039 721 R HN 0.600 nan 8.270 nan 0.000 0.456 722 L N 2.963 124.015 121.223 -0.285 0.000 2.202 722 L HA 0.304 4.644 4.340 -0.000 0.000 0.205 722 L C 0.719 177.493 176.870 -0.159 0.000 1.083 722 L CA 0.590 55.338 54.840 -0.153 0.000 0.790 722 L CB 0.061 42.072 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 -1.769 174.815 176.600 -0.026 0.000 0.896 724 E CA -0.607 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 0.875 122.109 121.223 0.017 0.000 2.456 726 L HA 0.080 4.420 4.340 -0.000 0.000 0.272 726 L C 1.219 178.108 176.870 0.032 0.000 1.189 726 L CA 0.185 55.041 54.840 0.026 0.000 0.846 726 L CB 0.588 42.660 42.059 0.022 0.000 1.111 726 L HN 0.382 nan 8.230 nan 0.000 0.475 727 S N 1.725 117.449 115.700 0.041 0.000 2.439 727 S HA 0.255 4.725 4.470 -0.000 0.000 0.282 727 S C 0.343 174.965 174.600 0.037 0.000 1.170 727 S CA -0.900 57.325 58.200 0.041 0.000 1.054 727 S CB 0.604 63.834 63.200 0.050 0.000 0.956 727 S HN 0.421 nan 8.310 nan 0.000 0.490 728 V N 3.078 123.011 119.914 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 -1.040 30.797 31.823 0.023 0.000 1.331 728 V HN 0.821 nan 8.190 nan 0.000 0.527 729 T N -0.425 114.148 114.554 0.032 0.000 2.918 729 T HA 0.804 5.154 4.350 -0.000 0.000 0.286 729 T C -0.621 174.098 174.700 0.031 0.000 1.026 729 T CA -0.734 61.384 62.100 0.030 0.000 1.031 729 T CB 2.081 70.967 68.868 0.029 0.000 1.046 729 T HN 0.271 nan 8.240 nan 0.000 0.479 730 L N 3.069 124.309 121.223 0.027 0.000 2.296 730 L HA 0.554 4.894 4.340 -0.000 0.000 0.286 730 L C -1.887 174.997 176.870 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 -0.503 176.803 177.300 0.010 0.000 1.216 731 P CA -0.406 62.704 63.100 0.017 0.000 0.776 731 P CB 1.095 32.806 31.700 0.018 0.000 0.881 732 A N 2.498 125.320 122.820 0.003 0.000 2.313 732 A HA 0.563 4.883 4.320 -0.000 0.000 0.261 732 A C 0.564 178.133 177.584 -0.025 0.000 1.090 732 A CA -0.173 51.863 52.037 -0.001 0.000 0.807 732 A CB -0.264 18.740 19.000 0.007 0.000 1.055 732 A HN 0.745 nan 8.150 nan 0.000 0.492 733 A N 0.819 123.629 122.820 -0.015 0.000 2.547 733 A HA 0.467 4.787 4.320 -0.000 0.000 0.233 733 A C 0.836 178.321 177.584 -0.165 0.000 1.067 733 A CA 0.577 52.596 52.037 -0.031 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 0.376 115.985 115.700 -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 -0.211 0.000 1.111 734 S CA -0.718 57.336 58.200 -0.243 0.000 1.027 734 S CB 0.896 64.041 63.200 -0.092 0.000 1.064 734 S HN 0.662 nan 8.310 nan 0.000 0.525 735 H N -0.099 118.983 119.070 0.020 0.000 2.586 735 H HA 0.634 5.190 4.556 -0.000 0.000 0.273 735 H C 0.493 175.830 175.328 0.014 0.000 0.997 735 H CA 0.465 56.522 56.048 0.015 0.000 1.177 735 H CB 0.064 29.833 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 -0.909 176.701 177.584 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 -1.975 118.622 120.570 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 2.107 40.121 38.000 0.024 0.000 1.226 737 I HN 0.346 nan 8.210 nan 0.000 0.443 738 P HA 0.086 nan 4.420 nan 0.000 0.271 738 P C -1.404 175.990 177.300 0.156 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 0.044 0.000 0.951 739 H N 1.461 120.563 119.070 0.053 0.000 2.539 739 H HA 0.389 4.945 4.556 -0.000 0.000 0.332 739 H C -0.988 174.369 175.328 0.050 0.000 1.031 739 H CA -1.049 55.023 56.048 0.040 0.000 1.206 739 H CB 0.944 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 -0.208 0.000 2.421 740 L HA 0.370 4.710 4.340 -0.000 0.000 0.263 740 L C -0.600 176.079 176.870 -0.318 0.000 1.122 740 L CA 0.278 54.981 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 2.293 116.769 114.554 -0.130 0.000 3.483 741 T HA 0.292 4.642 4.350 -0.000 0.000 0.329 741 T C -0.942 173.814 174.700 0.094 0.000 1.014 741 T CA -0.434 61.634 62.100 -0.053 0.000 1.056 741 T CB 0.906 69.722 68.868 -0.087 0.000 1.090 741 T HN 0.714 nan 8.240 nan 0.000 0.460 742 T N 2.888 117.517 114.554 0.125 0.000 2.799 742 T HA 0.652 5.002 4.350 -0.000 0.000 0.286 742 T C 0.293 175.052 174.700 0.098 0.000 0.973 742 T CA -0.391 61.836 62.100 0.211 0.000 1.035 742 T CB 1.411 70.422 68.868 0.239 0.000 0.932 742 T HN 0.569 nan 8.240 nan 0.000 0.469 743 S N 1.782 117.515 115.700 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 -0.614 57.589 58.200 0.005 0.000 0.903 743 S CB 1.576 64.776 63.200 0.000 0.000 1.310 743 S HN 0.728 nan 8.310 nan 0.000 0.581 744 E N -0.613 119.559 120.200 -0.047 0.000 2.216 744 E HA 0.101 4.451 4.350 -0.000 0.000 0.192 744 E C 1.533 178.063 176.600 -0.116 0.000 0.973 744 E CA 0.372 56.731 56.400 -0.068 0.000 0.851 744 E CB 0.018 29.694 29.700 -0.039 0.000 0.804 744 E HN 0.529 nan 8.360 nan 0.000 0.477 745 M N 1.008 120.549 119.600 -0.097 0.000 2.476 745 M HA 0.107 4.587 4.480 -0.000 0.000 0.262 745 M C -0.175 176.044 176.300 -0.136 0.000 1.111 745 M CA 0.803 56.048 55.300 -0.092 0.000 1.127 745 M CB -0.522 32.056 32.600 -0.038 0.000 1.376 745 M HN 0.023 nan 8.290 nan 0.000 0.465 746 D N -1.713 118.584 120.400 -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 0.701 41.502 40.800 0.003 0.000 1.331 746 D HN -0.056 nan 8.370 nan 0.000 0.432 750 E N 4.460 124.793 120.200 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 0.281 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 4.472 125.857 121.223 0.270 0.000 2.673 751 L HA 0.513 4.853 4.340 -0.000 0.000 0.255 751 L C -0.103 176.848 176.870 0.135 0.000 1.015 751 L CA 0.741 55.719 54.840 0.231 0.000 0.930 751 L CB 0.794 43.040 42.059 0.311 0.000 1.185 751 L HN 0.802 nan 8.230 nan 0.000 0.457 752 G N 3.521 112.370 108.800 0.080 0.000 2.509 752 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.256 752 G HA3 -0.367 3.593 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 0.402 45.523 45.100 0.035 0.000 0.951 752 G HN 0.874 nan 8.290 nan 0.000 0.559 753 N N 1.191 119.873 118.700 -0.030 0.000 2.331 753 N HA 0.007 4.747 4.740 -0.000 0.000 0.180 753 N C 0.839 176.284 175.510 -0.108 0.000 1.019 753 N CA 1.409 54.422 53.050 -0.062 0.000 0.881 753 N CB -0.206 38.247 38.487 -0.058 0.000 0.972 753 N HN 0.774 nan 8.380 nan 0.000 0.435 754 K N 0.599 120.908 120.400 -0.150 0.000 2.350 754 K HA 0.269 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 0.001 56.066 56.287 -0.370 0.000 0.969 754 K CB 1.035 33.237 32.500 -0.498 0.000 0.954 754 K HN 0.066 nan 8.250 nan 0.000 0.474 755 R N 1.861 122.067 120.500 -0.491 0.000 2.698 755 R HA 0.400 4.740 4.340 -0.000 0.000 0.275 755 R C -1.558 174.649 176.300 -0.156 0.000 1.001 755 R CA -0.667 55.337 56.100 -0.159 0.000 0.896 755 R CB 1.484 31.747 30.300 -0.061 0.000 1.218 755 R HN 0.592 nan 8.270 nan 0.000 0.462 756 W N 2.841 124.251 121.300 0.184 0.000 2.883 756 W HA 0.328 4.988 4.660 -0.000 0.000 0.335 756 W C -0.754 175.853 176.519 0.146 0.000 1.083 756 W CA -0.530 56.880 57.345 0.108 0.000 1.233 756 W CB 2.236 31.728 29.460 0.053 0.000 1.412 756 W HN 0.421 nan 8.180 nan 0.000 0.490 757 Q N 2.596 122.541 119.800 0.243 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 30.777 28.738 0.323 0.000 1.286 757 Q HN 0.368 nan 8.270 nan 0.000 0.448 758 F N 2.765 122.804 119.950 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 -0.788 57.265 58.000 0.089 0.000 1.008 758 F CB 1.373 40.452 39.000 0.132 0.000 1.139 758 F HN 0.510 nan 8.300 nan 0.000 0.452 759 N N 3.474 122.263 118.700 0.147 0.000 2.497 759 N HA 0.077 4.817 4.740 -0.000 0.000 0.268 759 N C 0.925 176.427 175.510 -0.012 0.000 1.171 759 N CA 0.027 53.111 53.050 0.056 0.000 0.948 759 N CB 0.791 39.321 38.487 0.073 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 2.000 122.414 120.500 -0.144 0.000 2.276 760 R HA -0.029 4.311 4.340 -0.000 0.000 0.203 760 R C 1.221 177.441 176.300 -0.133 0.000 1.017 760 R CA 0.977 56.931 56.100 -0.243 0.000 1.010 760 R CB 0.311 30.355 30.300 -0.427 0.000 0.900 760 R HN 0.701 nan 8.270 nan 0.000 0.469 761 Q N -0.825 118.932 119.800 -0.071 0.000 2.373 761 Q HA 0.034 4.374 4.340 -0.000 0.000 0.210 761 Q C 1.830 177.815 176.000 -0.026 0.000 0.913 761 Q CA 1.149 56.925 55.803 -0.046 0.000 0.911 761 Q CB 0.482 29.207 28.738 -0.022 0.000 1.040 761 Q HN 0.214 nan 8.270 nan 0.000 0.521 762 S N -0.296 115.408 115.700 0.007 0.000 2.470 762 S HA 0.214 4.684 4.470 -0.000 0.000 0.222 762 S C 1.595 176.100 174.600 -0.157 0.000 1.024 762 S CA 0.543 58.764 58.200 0.035 0.000 0.931 762 S CB 0.316 63.648 63.200 0.220 0.000 0.791 762 S HN 0.489 nan 8.310 nan 0.000 0.513 763 G N 0.562 109.296 108.800 -0.110 0.000 2.143 763 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 763 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 763 G C -0.129 174.685 174.900 -0.143 0.000 0.991 763 G CA 0.325 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 -1.320 118.816 119.950 0.309 0.000 2.538 764 F HA 0.642 5.169 4.527 -0.000 0.000 0.325 764 F C 0.499 176.327 175.800 0.048 0.000 1.066 764 F CA -1.465 56.680 58.000 0.241 0.000 0.946 764 F CB 1.550 40.641 39.000 0.152 0.000 1.199 764 F HN 0.028 nan 8.300 nan 0.000 0.473 765 L N 1.804 123.087 121.223 0.099 0.000 2.530 765 L HA 0.183 4.523 4.340 -0.000 0.000 0.273 765 L C 0.601 177.368 176.870 -0.171 0.000 1.141 765 L CA 0.829 55.358 54.840 -0.518 0.000 0.905 765 L CB 0.411 42.167 42.059 -0.505 0.000 1.202 765 L HN 0.642 nan 8.230 nan 0.000 0.473 766 S N 2.473 118.068 115.700 -0.174 0.000 2.470 766 S HA 0.141 4.611 4.470 -0.000 0.000 0.222 766 S C 0.276 174.773 174.600 -0.172 0.000 1.024 766 S CA 0.324 58.474 58.200 -0.084 0.000 0.931 766 S CB 0.005 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 -0.128 119.517 119.800 -0.258 0.000 2.702 767 Q HA 0.602 4.942 4.340 -0.000 0.000 0.289 767 Q C -1.624 174.059 176.000 -0.528 0.000 0.923 767 Q CA -0.559 54.971 55.803 -0.456 0.000 0.787 767 Q CB 1.253 29.614 28.738 -0.627 0.000 1.476 767 Q HN 0.239 nan 8.270 nan 0.000 0.402 768 M N 0.867 120.013 119.600 -0.758 0.000 2.413 768 M HA 0.745 5.225 4.480 -0.000 0.000 0.287 768 M C -2.009 173.879 176.300 -0.687 0.000 1.186 768 M CA -0.274 54.670 55.300 -0.593 0.000 0.927 768 M CB 1.836 34.133 32.600 -0.505 0.000 1.715 768 M HN 0.541 nan 8.290 nan 0.000 0.478 769 W N 3.946 125.023 121.300 -0.371 0.000 2.761 769 W HA 0.673 5.333 4.660 -0.000 0.000 0.340 769 W C -1.398 174.916 176.519 -0.341 0.000 1.072 769 W CA -0.879 56.297 57.345 -0.282 0.000 1.215 769 W CB 2.005 31.331 29.460 -0.224 0.000 1.420 769 W HN 0.577 nan 8.180 nan 0.000 0.519 770 I N 2.768 123.342 120.570 0.007 0.000 2.448 770 I HA 0.401 4.571 4.170 -0.000 0.000 0.281 770 I C 0.728 176.839 176.117 -0.011 0.000 1.027 770 I CA 0.135 61.390 61.300 -0.074 0.000 1.111 770 I CB 1.082 39.009 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 0.777 121.214 120.400 0.063 0.000 2.431 772 D HA 0.234 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 54.204 54.000 0.119 0.000 0.834 772 D CB 0.315 41.137 40.800 0.036 0.000 0.985 772 D HN 0.504 nan 8.370 nan 0.000 0.504 773 K N 1.162 121.659 120.400 0.162 0.000 2.248 773 K HA 0.272 4.592 4.320 -0.000 0.000 0.281 773 K C -0.027 176.544 176.600 -0.049 0.000 1.054 773 K CA -0.444 55.877 56.287 0.057 0.000 0.903 773 K CB 1.623 34.119 32.500 -0.008 0.000 1.077 773 K HN -0.118 nan 8.250 nan 0.000 0.474 774 K N 2.200 122.489 120.400 -0.184 0.000 2.326 774 K HA 0.029 4.349 4.320 -0.000 0.000 0.275 774 K C 0.753 177.162 176.600 -0.318 0.000 1.018 774 K CA -0.192 55.792 56.287 -0.506 0.000 0.962 774 K CB 0.802 33.043 32.500 -0.431 0.000 0.953 774 K HN 0.443 nan 8.250 nan 0.000 0.475 775 Q N 1.366 120.949 119.800 -0.362 0.000 2.350 775 Q HA 0.193 4.533 4.340 -0.000 0.000 0.225 775 Q C 0.046 175.961 176.000 -0.140 0.000 0.878 775 Q CA 0.434 56.142 55.803 -0.158 0.000 0.935 775 Q CB 0.520 29.231 28.738 -0.046 0.000 1.099 775 Q HN 0.492 nan 8.270 nan 0.000 0.527 776 L N 0.547 121.628 121.223 -0.238 0.000 2.354 776 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 776 L C 0.822 177.566 176.870 -0.209 0.000 1.005 776 L CA -0.469 54.258 54.840 -0.188 0.000 0.819 776 L CB 1.711 43.663 42.059 -0.178 0.000 1.311 776 L HN -0.115 nan 8.230 nan 0.000 0.423 777 L N -0.257 120.836 121.223 -0.215 0.000 2.513 777 L HA 0.275 4.615 4.340 -0.000 0.000 0.222 777 L C 0.326 177.083 176.870 -0.188 0.000 1.096 777 L CA 0.575 55.293 54.840 -0.204 0.000 0.857 777 L CB 0.260 42.186 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 -1.056 60.957 62.100 -0.145 0.000 1.008 778 T CB 2.710 71.454 68.868 -0.206 0.000 1.129 778 T HN -0.263 nan 8.240 nan 0.000 0.480 779 P HA 0.290 nan 4.420 nan 0.000 0.272 779 P C -0.799 176.459 177.300 -0.071 0.000 1.230 779 P CA -0.750 62.319 63.100 -0.051 0.000 0.788 779 P CB 0.436 32.136 31.700 -0.000 0.000 0.949 780 L N 3.336 124.552 121.223 -0.011 0.000 2.313 780 L HA 0.306 4.646 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 0.498 55.347 54.840 0.016 0.000 0.831 780 L CB -0.522 41.659 42.059 0.203 0.000 1.159 780 L HN 0.415 nan 8.230 nan 0.000 0.442 781 R N 2.186 122.539 120.500 -0.245 0.000 2.764 781 R HA 0.520 4.860 4.340 -0.000 0.000 0.270 781 R C -1.192 174.957 176.300 -0.250 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 -0.189 0.000 2.399 782 D HA 0.084 4.724 4.640 -0.000 0.000 0.241 782 D C -0.461 175.442 176.300 -0.661 0.000 1.133 782 D CA 0.465 54.217 54.000 -0.413 0.000 0.890 782 D CB 0.687 41.222 40.800 -0.442 0.000 1.201 782 D HN 0.313 nan 8.370 nan 0.000 0.432 783 Q N 1.237 120.456 119.800 -0.968 0.000 2.305 783 Q HA 0.369 4.709 4.340 -0.000 0.000 0.271 783 Q C -1.194 174.061 176.000 -1.242 0.000 1.046 783 Q CA -0.599 54.688 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 0.577 175.973 175.800 -0.673 0.000 1.102 784 F CA -0.215 57.335 58.000 -0.750 0.000 1.204 784 F CB 1.554 39.858 39.000 -1.160 0.000 1.052 784 F HN 0.455 nan 8.300 nan 0.000 0.551 785 T N -0.887 113.391 114.554 -0.461 0.000 2.907 785 T HA 0.760 5.110 4.350 -0.000 0.000 0.290 785 T C -0.598 173.862 174.700 -0.399 0.000 1.066 785 T CA -0.976 60.773 62.100 -0.585 0.000 1.012 785 T CB 2.725 71.197 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 -0.328 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 -1.185 54.852 56.100 -0.106 0.000 0.908 786 R CB 1.588 31.835 30.300 -0.088 0.000 1.213 786 R HN 0.832 nan 8.270 nan 0.000 0.468 787 A N 3.833 126.692 122.820 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 50.708 52.037 0.067 0.000 0.797 787 A CB -0.484 18.500 19.000 -0.026 0.000 1.081 787 A HN 0.567 nan 8.150 nan 0.000 0.510 788 P HA 0.036 nan 4.420 nan 0.000 0.263 788 P C -0.270 177.128 177.300 0.164 0.000 1.175 788 P CA 0.554 63.803 63.100 0.249 0.000 0.761 788 P CB 0.316 32.195 31.700 0.298 0.000 0.794 789 L N 2.198 123.490 121.223 0.115 0.000 2.454 789 L HA 0.237 4.577 4.340 -0.000 0.000 0.256 789 L C 1.837 178.719 176.870 0.019 0.000 1.136 789 L CA -0.629 54.220 54.840 0.014 0.000 0.804 789 L CB 0.029 42.028 42.059 -0.099 0.000 1.181 789 L HN 0.275 nan 8.230 nan 0.000 0.469 790 D N 0.328 120.682 120.400 -0.076 0.000 2.123 790 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 790 D C 1.596 177.825 176.300 -0.118 0.000 0.992 790 D CA 1.446 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 1.007 119.653 118.700 -0.089 0.000 2.309 791 N HA -0.107 4.633 4.740 -0.000 0.000 0.182 791 N C 1.093 176.619 175.510 0.026 0.000 1.018 791 N CA 0.677 53.705 53.050 -0.038 0.000 0.876 791 N CB -0.151 38.300 38.487 -0.060 0.000 0.972 791 N HN 0.241 nan 8.380 nan 0.000 0.434 792 D N 0.140 120.567 120.400 0.044 0.000 2.277 792 D HA 0.061 4.701 4.640 -0.000 0.000 0.208 792 D C 1.877 178.230 176.300 0.089 0.000 0.962 792 D CA 0.350 54.412 54.000 0.102 0.000 0.865 792 D CB 0.274 41.191 40.800 0.196 0.000 0.939 792 D HN 0.340 nan 8.370 nan 0.000 0.510 793 I N -0.222 120.385 120.570 0.062 0.000 2.628 793 I HA 0.097 4.267 4.170 -0.000 0.000 0.255 793 I C 1.853 178.003 176.117 0.055 0.000 1.119 793 I CA 0.541 61.869 61.300 0.048 0.000 1.448 793 I CB -0.143 37.865 38.000 0.012 0.000 1.133 793 I HN 0.049 nan 8.210 nan 0.000 0.438 794 G N 1.628 110.476 108.800 0.079 0.000 2.596 794 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.304 794 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.304 794 G C 0.685 175.759 174.900 0.289 0.000 1.189 794 G CA 0.948 46.158 45.100 0.184 0.000 0.986 794 G HN 0.573 nan 8.290 nan 0.000 0.548 795 V N -2.177 117.848 119.914 0.185 0.000 3.271 795 V HA 0.688 4.808 4.120 -0.000 0.000 0.327 795 V C 0.979 177.096 176.094 0.037 0.000 1.389 795 V CA 1.038 63.398 62.300 0.099 0.000 1.156 795 V CB 0.339 32.121 31.823 -0.069 0.000 1.103 795 V HN 1.282 nan 8.190 nan 0.000 0.453 796 S N 1.348 117.073 115.700 0.043 0.000 2.498 796 S HA 0.333 4.803 4.470 -0.000 0.000 0.281 796 S C -0.086 174.528 174.600 0.024 0.000 1.265 796 S CA 0.063 58.273 58.200 0.016 0.000 1.071 796 S CB 0.360 63.567 63.200 0.011 0.000 0.894 796 S HN 0.799 nan 8.310 nan 0.000 0.491 797 E N 2.450 122.657 120.200 0.012 0.000 2.235 797 E HA 0.661 5.011 4.350 -0.000 0.000 0.265 797 E C 0.736 177.348 176.600 0.020 0.000 0.940 797 E CA -0.292 56.120 56.400 0.021 0.000 0.819 797 E CB 1.334 31.041 29.700 0.011 0.000 1.206 797 E HN 0.639 nan 8.360 nan 0.000 0.409 798 A N 0.985 123.823 122.820 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 2.332 54.386 52.037 0.029 0.000 0.635 798 A CB -0.924 18.099 19.000 0.038 0.000 0.810 798 A HN 0.700 nan 8.150 nan 0.000 0.446 799 T N -2.574 111.990 114.554 0.017 0.000 2.851 799 T HA -0.006 4.344 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 0.919 63.024 62.100 0.010 0.000 1.140 799 T CB -0.102 68.771 68.868 0.009 0.000 0.872 799 T HN 0.311 nan 8.240 nan 0.000 0.446 800 R N 1.134 121.630 120.500 -0.006 0.000 2.402 800 R HA 0.442 4.782 4.340 -0.000 0.000 0.290 800 R C -0.756 175.533 176.300 -0.018 0.000 1.321 800 R CA -0.513 55.576 56.100 -0.018 0.000 1.283 800 R CB 0.176 30.457 30.300 -0.032 0.000 1.111 800 R HN 0.439 nan 8.270 nan 0.000 0.578 801 I N 2.234 122.796 120.570 -0.013 0.000 2.648 801 I HA -0.067 4.103 4.170 -0.000 0.000 0.284 801 I C 0.196 176.298 176.117 -0.026 0.000 1.153 801 I CA 0.547 61.839 61.300 -0.013 0.000 1.426 801 I CB 0.729 38.724 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 -1.677 174.584 176.300 -0.065 0.000 1.088 802 D CA -2.305 51.669 54.000 -0.044 0.000 0.882 802 D CB 1.350 42.129 40.800 -0.036 0.000 1.037 802 D HN 0.154 nan 8.370 nan 0.000 0.520 803 P HA -0.079 nan 4.420 nan 0.000 0.226 803 P C 0.489 177.695 177.300 -0.156 0.000 1.146 803 P CA 0.698 63.739 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 -0.456 118.145 118.700 -0.164 0.000 2.373 804 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 804 N C 0.805 176.115 175.510 -0.333 0.000 1.082 804 N CA 0.074 52.975 53.050 -0.249 0.000 0.885 804 N CB 0.019 38.385 38.487 -0.201 0.000 0.977 804 N HN 0.084 nan 8.380 nan 0.000 0.462 805 A N 0.354 123.041 122.820 -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 -0.325 51.590 52.037 -0.202 0.000 0.766 805 A CB 0.003 18.956 19.000 -0.077 0.000 1.003 805 A HN 0.319 nan 8.150 nan 0.000 0.497 806 W N 1.868 122.920 121.300 -0.414 0.000 2.302 806 W HA -0.219 4.441 4.660 -0.000 0.000 0.320 806 W C 2.249 178.188 176.519 -0.965 0.000 1.241 806 W CA 1.943 58.775 57.345 -0.854 0.000 1.264 806 W CB -0.423 28.419 29.460 -1.031 0.000 1.154 806 W HN 0.558 nan 8.180 nan 0.000 0.483 807 V N 0.771 120.555 119.914 -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 -0.020 0.000 2.106 808 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 808 E C 2.362 178.933 176.600 -0.047 0.000 0.984 808 E CA 1.146 57.535 56.400 -0.019 0.000 0.806 808 E CB -0.347 29.319 29.700 -0.057 0.000 0.750 808 E HN 0.624 nan 8.360 nan 0.000 0.458 809 R N -0.390 120.003 120.500 -0.179 0.000 2.090 809 R HA -0.085 4.255 4.340 -0.000 0.000 0.228 809 R C 2.226 178.480 176.300 -0.076 0.000 1.110 809 R CA 0.840 56.819 56.100 -0.201 0.000 0.973 809 R CB -0.213 29.844 30.300 -0.406 0.000 0.869 809 R HN 0.264 nan 8.270 nan 0.000 0.440 810 W N 1.866 123.140 121.300 -0.044 0.000 2.381 810 W HA -0.003 4.657 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 0.364 57.580 57.345 -0.216 0.000 1.285 810 W CB -0.601 28.843 29.460 -0.028 0.000 1.133 810 W HN 0.083 nan 8.180 nan 0.000 0.521 811 K N 0.155 120.802 120.400 0.412 0.000 2.009 811 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 811 K C 2.189 178.880 176.600 0.151 0.000 1.049 811 K CA 1.904 58.391 56.287 0.334 0.000 0.929 811 K CB -0.585 32.045 32.500 0.217 0.000 0.714 811 K HN -0.020 nan 8.250 nan 0.000 0.440 812 A N 0.955 123.831 122.820 0.093 0.000 2.070 812 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 812 A C 2.113 179.724 177.584 0.046 0.000 1.159 812 A CA 1.739 53.811 52.037 0.058 0.000 0.656 812 A CB -0.408 18.609 19.000 0.027 0.000 0.800 812 A HN 0.369 nan 8.150 nan 0.000 0.453 813 A N -1.935 120.891 122.820 0.011 0.000 2.218 813 A HA 0.417 4.737 4.320 -0.000 0.000 0.209 813 A C 1.753 179.318 177.584 -0.032 0.000 1.168 813 A CA 1.171 53.227 52.037 0.031 0.000 0.804 813 A CB -0.732 18.261 19.000 -0.012 0.000 0.834 813 A HN 1.839 nan 8.150 nan 0.000 0.482 814 G N -1.412 107.283 108.800 -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 0.543 175.414 174.900 -0.048 0.000 0.989 814 G CA 0.616 45.393 45.100 -0.538 0.000 0.676 814 G HN 0.737 nan 8.290 nan 0.000 0.522 815 H N -1.507 117.534 119.070 -0.047 0.000 2.387 815 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 815 H C 2.174 177.464 175.328 -0.065 0.000 1.090 815 H CA 1.573 57.592 56.048 -0.048 0.000 1.332 815 H CB 0.105 29.762 29.762 -0.174 0.000 1.386 815 H HN 0.621 nan 8.280 nan 0.000 0.516 816 Y N 0.792 121.203 120.300 0.184 0.000 2.516 816 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 816 Y C 1.938 177.907 175.900 0.115 0.000 1.131 816 Y CA 0.655 58.828 58.100 0.120 0.000 1.281 816 Y CB 0.388 38.907 38.460 0.099 0.000 1.013 816 Y HN 0.350 nan 8.280 nan 0.000 0.554 817 Q N -0.488 119.449 119.800 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 0.474 29.328 28.738 0.193 0.000 1.193 817 Q HN 0.130 nan 8.270 nan 0.000 0.471 818 A N 1.247 124.235 122.820 0.281 0.000 2.386 818 A HA 0.311 4.631 4.320 -0.000 0.000 0.248 818 A C -0.120 177.725 177.584 0.436 0.000 1.082 818 A CA -0.181 52.080 52.037 0.373 0.000 0.789 818 A CB 0.481 19.725 19.000 0.408 0.000 1.025 818 A HN 0.289 nan 8.150 nan 0.000 0.490 819 E N 0.779 121.181 120.200 0.336 0.000 2.134 819 E HA 0.470 4.820 4.350 -0.000 0.000 0.278 819 E C -0.136 176.440 176.600 -0.040 0.000 0.959 819 E CA -0.209 56.302 56.400 0.185 0.000 0.783 819 E CB 1.696 31.474 29.700 0.131 0.000 1.095 819 E HN 0.717 nan 8.360 nan 0.000 0.399 820 A N 2.462 125.144 122.820 -0.230 0.000 2.401 820 A HA 0.578 4.898 4.320 -0.000 0.000 0.259 820 A C -0.173 177.250 177.584 -0.268 0.000 1.103 820 A CA -0.127 51.499 52.037 -0.685 0.000 0.789 820 A CB 0.478 19.097 19.000 -0.635 0.000 1.035 820 A HN 0.546 nan 8.150 nan 0.000 0.491 821 A N 2.318 124.978 122.820 -0.266 0.000 2.343 821 A HA 0.579 4.899 4.320 -0.000 0.000 0.308 821 A C -0.641 176.870 177.584 -0.121 0.000 1.092 821 A CA -0.552 51.416 52.037 -0.116 0.000 0.751 821 A CB 0.732 19.686 19.000 -0.077 0.000 1.203 821 A HN 1.329 nan 8.150 nan 0.000 0.452 822 L N 3.190 124.331 121.223 -0.137 0.000 2.410 822 L HA 0.330 4.670 4.340 -0.000 0.000 0.273 822 L C 0.370 177.113 176.870 -0.212 0.000 1.144 822 L CA 0.322 54.981 54.840 -0.301 0.000 0.863 822 L CB 0.270 42.147 42.059 -0.303 0.000 1.140 822 L HN 0.782 nan 8.230 nan 0.000 0.463 823 L N 3.638 124.720 121.223 -0.236 0.000 2.470 823 L HA 0.289 4.629 4.340 -0.000 0.000 0.219 823 L C 0.291 177.093 176.870 -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 -0.371 119.331 119.800 -0.163 0.000 2.468 824 Q HA 0.259 4.599 4.340 -0.000 0.000 0.263 824 Q C -1.890 174.052 176.000 -0.097 0.000 0.979 824 Q CA -0.647 55.098 55.803 -0.097 0.000 0.932 824 Q CB 2.404 31.113 28.738 -0.048 0.000 1.462 824 Q HN 0.024 nan 8.270 nan 0.000 0.403 825 C N 3.541 122.825 119.300 -0.027 0.000 2.919 825 C HA 0.727 5.187 4.460 -0.000 0.000 0.337 825 C C -0.671 174.408 174.990 0.147 0.000 1.039 825 C CA 0.604 59.651 59.018 0.048 0.000 1.373 825 C CB 0.359 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 2.540 117.124 114.554 0.050 0.000 2.912 826 T HA 0.885 5.235 4.350 -0.000 0.000 0.288 826 T C -0.351 174.182 174.700 -0.279 0.000 1.030 826 T CA -0.141 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 1.703 nan 8.240 nan 0.000 0.480 827 A N 2.192 124.727 122.820 -0.475 0.000 2.393 827 A HA 0.758 5.078 4.320 -0.000 0.000 0.306 827 A C -1.188 176.173 177.584 -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 0.693 120.927 120.400 -0.277 0.000 2.661 828 D HA 0.524 5.164 4.640 -0.000 0.000 0.228 828 D C -1.150 175.066 176.300 -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 1.437 115.933 114.554 -0.096 0.000 2.772 829 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 829 T C 0.170 174.843 174.700 -0.046 0.000 0.994 829 T CA -0.579 61.482 62.100 -0.065 0.000 0.951 829 T CB 0.996 69.840 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 0.705 5.045 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 54.410 54.840 -0.031 0.000 0.798 830 L CB 0.154 42.194 42.059 -0.033 0.000 1.307 830 L HN 0.708 nan 8.230 nan 0.000 0.475 831 A N -0.662 122.151 122.820 -0.013 0.000 2.016 831 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 831 A C 0.997 178.579 177.584 -0.003 0.000 1.162 831 A CA 1.478 53.513 52.037 -0.005 0.000 0.662 831 A CB -0.636 18.363 19.000 -0.002 0.000 0.812 831 A HN 0.854 nan 8.150 nan 0.000 0.450 832 D N -1.744 118.652 120.400 -0.008 0.000 2.441 832 D HA 0.541 5.181 4.640 -0.000 0.000 0.210 832 D C 0.402 176.693 176.300 -0.016 0.000 1.102 832 D CA 0.754 54.750 54.000 -0.007 0.000 0.840 832 D CB 0.591 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 -0.357 122.447 122.820 -0.026 0.000 2.467 833 A HA 0.598 4.918 4.320 -0.000 0.000 0.301 833 A C -1.760 175.787 177.584 -0.060 0.000 1.126 833 A CA -0.767 51.244 52.037 -0.044 0.000 0.632 833 A CB 0.677 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 0.329 120.188 119.914 -0.092 0.000 2.547 834 V HA 0.680 4.800 4.120 -0.000 0.000 0.299 834 V C -0.838 175.172 176.094 -0.140 0.000 1.040 834 V CA -0.429 61.798 62.300 -0.120 0.000 0.913 834 V CB 1.338 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 5.935 127.067 121.223 -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 54.749 54.840 -0.139 0.000 0.828 835 L CB 1.395 43.397 42.059 -0.096 0.000 1.249 835 L HN 0.418 nan 8.230 nan 0.000 0.409 836 I N 3.622 124.075 120.570 -0.195 0.000 2.474 836 I HA 0.513 4.683 4.170 -0.000 0.000 0.294 836 I C -0.163 175.936 176.117 -0.031 0.000 1.005 836 I CA -0.372 60.771 61.300 -0.261 0.000 1.113 836 I CB 1.840 39.484 38.000 -0.594 0.000 1.289 836 I HN 0.526 nan 8.210 nan 0.000 0.436 837 T N 4.187 118.718 114.554 -0.039 0.000 2.881 837 T HA 0.635 4.985 4.350 -0.000 0.000 0.290 837 T C -0.080 174.660 174.700 0.066 0.000 1.000 837 T CA -0.487 61.637 62.100 0.041 0.000 0.978 837 T CB 1.875 70.739 68.868 -0.006 0.000 0.997 837 T HN 0.825 nan 8.240 nan 0.000 0.443 838 T N -0.226 114.407 114.554 0.133 0.000 2.906 838 T HA 0.900 5.250 4.350 -0.000 0.000 0.295 838 T C -1.157 173.592 174.700 0.082 0.000 1.075 838 T CA -1.058 61.096 62.100 0.089 0.000 1.005 838 T CB 2.051 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 1.478 124.265 122.820 -0.056 0.000 2.459 839 A HA 0.758 5.078 4.320 -0.000 0.000 0.296 839 A C -1.455 176.041 177.584 -0.148 0.000 1.039 839 A CA -0.779 51.272 52.037 0.025 0.000 0.698 839 A CB 0.841 19.859 19.000 0.029 0.000 1.261 839 A HN 1.000 nan 8.150 nan 0.000 0.405 840 H N 0.105 119.231 119.070 0.095 0.000 2.821 840 H HA 0.816 5.372 4.556 -0.000 0.000 0.373 840 H C -0.069 175.292 175.328 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 1.569 124.418 122.820 0.047 0.000 2.371 841 A HA 0.448 4.768 4.320 -0.000 0.000 0.311 841 A C -1.404 176.216 177.584 0.060 0.000 1.068 841 A CA -0.719 51.420 52.037 0.169 0.000 0.744 841 A CB 1.222 20.284 19.000 0.103 0.000 1.239 841 A HN 0.589 nan 8.150 nan 0.000 0.435 842 W N 2.044 123.453 121.300 0.181 0.000 2.391 842 W HA 0.431 5.091 4.660 -0.000 0.000 0.311 842 W C -0.349 176.187 176.519 0.029 0.000 1.087 842 W CA -0.171 57.271 57.345 0.162 0.000 1.209 842 W CB 1.655 31.275 29.460 0.266 0.000 1.273 842 W HN 0.776 nan 8.180 nan 0.000 0.482 843 Q N 1.659 121.595 119.800 0.226 0.000 2.458 843 Q HA 0.463 4.803 4.340 -0.000 0.000 0.282 843 Q C -0.947 175.190 176.000 0.228 0.000 1.106 843 Q CA -0.945 54.951 55.803 0.154 0.000 0.814 843 Q CB 3.550 32.339 28.738 0.086 0.000 1.425 843 Q HN 0.410 nan 8.270 nan 0.000 0.437 844 H N 1.068 120.170 119.070 0.053 0.000 3.224 844 H HA 0.071 4.627 4.556 -0.000 0.000 0.331 844 H C -1.010 174.348 175.328 0.049 0.000 1.002 844 H CA -0.062 56.027 56.048 0.068 0.000 1.473 844 H CB 1.028 30.841 29.762 0.085 0.000 1.830 844 H HN 0.887 nan 8.280 nan 0.000 0.485 845 Q N 3.268 122.820 119.800 -0.414 0.000 2.453 845 Q HA -0.259 4.081 4.340 -0.000 0.000 0.294 845 Q C 0.971 176.901 176.000 -0.116 0.000 1.295 845 Q CA 1.253 56.869 55.803 -0.311 0.000 0.853 845 Q CB -1.314 27.163 28.738 -0.437 0.000 1.193 845 Q HN 1.194 nan 8.270 nan 0.000 0.461 846 G N -0.393 108.373 108.800 -0.056 0.000 2.268 846 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.240 846 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.240 846 G C 0.073 174.974 174.900 0.003 0.000 1.010 846 G CA 0.367 45.455 45.100 -0.019 0.000 0.618 846 G HN 0.351 nan 8.290 nan 0.000 0.516 847 K N 1.458 121.866 120.400 0.014 0.000 2.156 847 K HA 0.601 4.921 4.320 -0.000 0.000 0.271 847 K C -0.285 176.326 176.600 0.019 0.000 0.995 847 K CA -0.057 56.242 56.287 0.022 0.000 0.890 847 K CB 0.794 33.313 32.500 0.032 0.000 1.073 847 K HN 0.016 nan 8.250 nan 0.000 0.454 848 T N 5.832 120.388 114.554 0.003 0.000 2.727 848 T HA 0.197 4.547 4.350 -0.000 0.000 0.298 848 T C 1.173 175.813 174.700 -0.100 0.000 0.942 848 T CA -0.412 61.685 62.100 -0.004 0.000 0.997 848 T CB 0.363 69.248 68.868 0.027 0.000 0.917 848 T HN 0.536 nan 8.240 nan 0.000 0.487 849 L N 2.343 123.403 121.223 -0.273 0.000 2.102 849 L HA 0.314 4.654 4.340 -0.000 0.000 0.202 849 L C -0.012 176.351 176.870 -0.845 0.000 1.076 849 L CA 0.967 55.369 54.840 -0.731 0.000 0.761 849 L CB -0.029 41.190 42.059 -1.400 0.000 0.921 849 L HN 0.514 nan 8.230 nan 0.000 0.444 850 F N -1.387 118.524 119.950 -0.065 0.000 2.626 850 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 850 F C -0.508 175.399 175.800 0.179 0.000 1.088 850 F CA -0.885 57.044 58.000 -0.119 0.000 0.949 850 F CB 1.929 40.532 39.000 -0.662 0.000 1.322 850 F HN -0.343 nan 8.300 nan 0.000 0.461 851 I N 1.364 122.179 120.570 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 60.982 61.300 0.433 0.000 1.057 851 I CB 2.269 40.432 38.000 0.272 0.000 1.240 851 I HN 0.562 nan 8.210 nan 0.000 0.423 852 S N 6.718 122.778 115.700 0.599 0.000 2.552 852 S HA 0.579 5.049 4.470 -0.000 0.000 0.314 852 S C -0.778 174.074 174.600 0.420 0.000 1.099 852 S CA -0.677 57.843 58.200 0.533 0.000 1.070 852 S CB 0.778 64.415 63.200 0.729 0.000 0.998 852 S HN 0.572 nan 8.310 nan 0.000 0.474 853 R N 3.563 124.229 120.500 0.277 0.000 2.437 853 R HA 0.554 4.894 4.340 -0.000 0.000 0.310 853 R C -0.644 175.730 176.300 0.124 0.000 0.955 853 R CA -0.769 55.449 56.100 0.198 0.000 0.851 853 R CB 1.853 32.242 30.300 0.148 0.000 1.161 853 R HN 0.561 nan 8.270 nan 0.000 0.446 854 K N 0.675 121.138 120.400 0.106 0.000 2.378 854 K HA 0.538 4.858 4.320 -0.000 0.000 0.244 854 K C -0.663 175.907 176.600 -0.051 0.000 1.039 854 K CA -0.956 55.307 56.287 -0.040 0.000 0.863 854 K CB 2.393 34.807 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 4.882 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 1.124 121.407 120.300 -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 -1.113 56.979 58.100 -0.014 0.000 1.100 856 Y CB 2.093 40.572 38.460 0.032 0.000 1.179 856 Y HN 0.817 nan 8.280 nan 0.000 0.454 857 R N 4.079 124.619 120.500 0.066 0.000 2.451 857 R HA 0.677 5.017 4.340 -0.000 0.000 0.307 857 R C -1.994 174.260 176.300 -0.076 0.000 0.965 857 R CA -0.406 55.681 56.100 -0.023 0.000 0.865 857 R CB 0.690 30.982 30.300 -0.012 0.000 1.174 857 R HN 0.809 nan 8.270 nan 0.000 0.455 858 I N 5.240 125.711 120.570 -0.165 0.000 2.330 858 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 858 I C -0.256 175.757 176.117 -0.173 0.000 1.001 858 I CA -0.786 60.349 61.300 -0.274 0.000 1.193 858 I CB 1.374 39.038 38.000 -0.560 0.000 1.345 858 I HN 0.705 nan 8.210 nan 0.000 0.461 859 D N 4.439 124.771 120.400 -0.113 0.000 2.549 859 D HA 0.230 4.870 4.640 -0.000 0.000 0.270 859 D C 1.261 177.543 176.300 -0.031 0.000 1.181 859 D CA -0.791 53.175 54.000 -0.057 0.000 1.070 859 D CB 0.872 41.656 40.800 -0.028 0.000 1.154 859 D HN 0.474 nan 8.370 nan 0.000 0.602 860 G N -1.375 107.417 108.800 -0.014 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 1.090 175.991 174.900 0.002 0.000 1.132 860 G CA 0.942 46.043 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 0.882 59.090 58.200 0.014 0.000 0.911 861 S CB 0.138 63.341 63.200 0.005 0.000 0.780 861 S HN 1.380 nan 8.310 nan 0.000 0.514 862 G N 0.652 109.508 108.800 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 45.277 45.100 0.218 0.000 0.665 862 G HN 0.602 nan 8.290 nan 0.000 0.528 863 Q N -0.495 119.356 119.800 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 30.382 28.738 0.077 0.000 1.237 863 Q HN 0.417 nan 8.270 nan 0.000 0.434 864 M N 2.130 121.772 119.600 0.070 0.000 2.114 864 M HA 0.557 5.037 4.480 -0.000 0.000 0.332 864 M C -1.501 174.887 176.300 0.146 0.000 1.014 864 M CA -0.512 54.808 55.300 0.034 0.000 0.956 864 M CB 1.088 33.705 32.600 0.027 0.000 1.551 864 M HN 0.710 nan 8.290 nan 0.000 0.427 865 A N 6.830 129.710 122.820 0.099 0.000 2.288 865 A HA 0.765 5.085 4.320 -0.000 0.000 0.320 865 A C -0.934 176.693 177.584 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 1.536 122.135 120.570 0.048 0.000 2.474 866 I HA 0.433 4.603 4.170 -0.000 0.000 0.294 866 I C -0.133 175.888 176.117 -0.159 0.000 1.005 866 I CA -0.304 60.937 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 5.223 119.631 114.554 -0.244 0.000 2.841 867 T HA 0.543 4.893 4.350 -0.000 0.000 0.285 867 T C -0.636 173.862 174.700 -0.338 0.000 0.991 867 T CA -0.400 61.549 62.100 -0.251 0.000 0.966 867 T CB 1.730 70.544 68.868 -0.090 0.000 0.962 867 T HN 0.216 nan 8.240 nan 0.000 0.438 868 V N 4.015 123.601 119.914 -0.547 0.000 2.540 868 V HA 0.545 4.665 4.120 -0.000 0.000 0.302 868 V C -0.690 175.231 176.094 -0.288 0.000 1.035 868 V CA -0.907 61.103 62.300 -0.483 0.000 0.873 868 V CB 2.042 33.325 31.823 -0.901 0.000 0.992 868 V HN 0.831 nan 8.190 nan 0.000 0.428 869 D N 3.301 123.703 120.400 0.003 0.000 2.549 869 D HA 0.520 5.160 4.640 -0.000 0.000 0.251 869 D C -1.052 175.376 176.300 0.213 0.000 1.153 869 D CA -0.105 53.996 54.000 0.168 0.000 0.861 869 D CB 2.781 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 2.191 122.268 119.914 0.273 0.000 2.628 870 V HA 0.352 4.472 4.120 -0.000 0.000 0.306 870 V C 0.046 176.291 176.094 0.251 0.000 1.045 870 V CA -0.698 61.775 62.300 0.289 0.000 0.905 870 V CB 2.511 34.537 31.823 0.338 0.000 0.997 870 V HN 0.374 nan 8.190 nan 0.000 0.436 871 E N 2.170 122.505 120.200 0.226 0.000 2.222 871 E HA 0.635 4.985 4.350 -0.000 0.000 0.267 871 E C -1.611 175.114 176.600 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 2.075 122.113 119.914 0.207 0.000 2.409 872 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 872 V C 0.085 176.276 176.094 0.161 0.000 1.020 872 V CA -0.932 61.513 62.300 0.242 0.000 0.848 872 V CB 1.447 33.445 31.823 0.292 0.000 0.990 872 V HN 0.838 nan 8.190 nan 0.000 0.430 873 A N 3.523 126.398 122.820 0.092 0.000 2.548 873 A HA 0.249 4.569 4.320 -0.000 0.000 0.247 873 A C 1.647 179.300 177.584 0.114 0.000 1.067 873 A CA 0.653 52.730 52.037 0.066 0.000 0.757 873 A CB 0.220 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 1.395 117.159 115.700 0.107 0.000 2.442 874 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 874 S C 0.846 175.524 174.600 0.130 0.000 1.007 874 S CA 1.349 59.630 58.200 0.135 0.000 0.965 874 S CB -0.263 62.995 63.200 0.097 0.000 0.773 874 S HN 0.815 nan 8.310 nan 0.000 0.504 875 D N 0.164 120.617 120.400 0.089 0.000 2.368 875 D HA 0.151 4.791 4.640 -0.000 0.000 0.218 875 D C 0.365 176.704 176.300 0.065 0.000 1.112 875 D CA -0.074 53.964 54.000 0.064 0.000 0.834 875 D CB -0.261 40.563 40.800 0.040 0.000 0.953 875 D HN 0.282 nan 8.370 nan 0.000 0.505 876 T N 1.275 115.895 114.554 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 1.319 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 -0.478 177.111 177.300 0.480 0.000 1.193 877 P CA -0.131 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 3.214 122.644 119.070 0.600 0.000 3.001 878 H HA 0.079 4.635 4.556 -0.000 0.000 0.334 878 H C -1.837 173.847 175.328 0.593 0.000 1.034 878 H CA -1.522 54.829 56.048 0.505 0.000 1.420 878 H CB -0.877 29.125 29.762 0.399 0.000 1.405 878 H HN 0.333 nan 8.280 nan 0.000 0.593 879 P HA 0.094 nan 4.420 nan 0.000 0.274 879 P C 0.335 177.552 177.300 -0.137 0.000 1.231 879 P CA -0.330 62.837 63.100 0.111 0.000 0.790 879 P CB 0.832 32.466 31.700 -0.111 0.000 0.951 880 A N 3.268 125.764 122.820 -0.541 0.000 1.969 880 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 880 A C 1.059 178.275 177.584 -0.613 0.000 1.169 880 A CA 1.414 53.095 52.037 -0.593 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 -2.872 117.301 120.500 -0.545 0.000 2.728 881 R HA 0.717 5.057 4.340 -0.000 0.000 0.274 881 R C -1.832 174.231 176.300 -0.394 0.000 1.030 881 R CA -0.804 54.991 56.100 -0.509 0.000 0.876 881 R CB 0.668 30.608 30.300 -0.600 0.000 1.259 881 R HN 0.005 nan 8.270 nan 0.000 0.468 882 I N 1.273 121.639 120.570 -0.340 0.000 2.517 882 I HA 0.631 4.801 4.170 -0.000 0.000 0.280 882 I C -0.444 175.434 176.117 -0.399 0.000 1.061 882 I CA -0.374 60.740 61.300 -0.309 0.000 1.091 882 I CB 1.837 39.723 38.000 -0.190 0.000 1.205 882 I HN 0.975 nan 8.210 nan 0.000 0.459 883 G N 5.817 114.325 108.800 -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 -1.721 172.979 174.900 -0.332 0.000 1.270 883 G CA -0.575 44.279 45.100 -0.410 0.000 0.810 883 G HN 0.272 nan 8.290 nan 0.000 0.493 884 L N 0.756 121.837 121.223 -0.236 0.000 2.333 884 L HA 0.661 5.001 4.340 -0.000 0.000 0.263 884 L C -0.750 176.002 176.870 -0.196 0.000 1.014 884 L CA -1.141 53.587 54.840 -0.188 0.000 0.820 884 L CB 2.535 44.552 42.059 -0.070 0.000 1.352 884 L HN 0.809 nan 8.230 nan 0.000 0.421 885 N N 0.533 119.145 118.700 -0.147 0.000 2.610 885 N HA 0.736 5.476 4.740 -0.000 0.000 0.264 885 N C -1.236 174.268 175.510 -0.009 0.000 1.348 885 N CA -0.600 52.405 53.050 -0.076 0.000 0.819 885 N CB 2.252 40.724 38.487 -0.026 0.000 1.521 885 N HN 0.864 nan 8.380 nan 0.000 0.497 886 C N -1.617 117.704 119.300 0.035 0.000 3.292 886 C HA 0.573 5.033 4.460 -0.000 0.000 0.338 886 C C -1.232 173.606 174.990 -0.254 0.000 1.323 886 C CA -0.879 58.112 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 1.449 120.889 119.800 -0.600 0.000 2.368 887 Q HA 0.655 4.995 4.340 -0.000 0.000 0.256 887 Q C -0.986 174.723 176.000 -0.485 0.000 0.980 887 Q CA -0.420 54.780 55.803 -1.006 0.000 0.887 887 Q CB 0.817 28.610 28.738 -1.574 0.000 1.221 887 Q HN 0.762 nan 8.270 nan 0.000 0.458 888 L N 2.574 123.608 121.223 -0.316 0.000 2.395 888 L HA 0.291 4.631 4.340 -0.000 0.000 0.269 888 L C 1.225 178.018 176.870 -0.128 0.000 1.133 888 L CA -0.251 54.519 54.840 -0.116 0.000 0.812 888 L CB 0.856 42.956 42.059 0.068 0.000 1.125 888 L HN 0.810 nan 8.230 nan 0.000 0.452 889 A N 1.977 124.747 122.820 -0.083 0.000 1.930 889 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 889 A C 1.173 178.731 177.584 -0.044 0.000 1.175 889 A CA 0.762 52.747 52.037 -0.087 0.000 0.627 889 A CB -0.287 18.658 19.000 -0.091 0.000 0.815 889 A HN 0.795 nan 8.150 nan 0.000 0.443 890 Q N -0.495 119.309 119.800 0.006 0.000 2.417 890 Q HA 0.434 4.774 4.340 -0.000 0.000 0.241 890 Q C -1.127 174.897 176.000 0.040 0.000 1.008 890 Q CA 0.370 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 2.559 122.460 119.914 -0.021 0.000 2.567 891 V HA 0.771 4.891 4.120 -0.000 0.000 0.298 891 V C -0.845 175.199 176.094 -0.084 0.000 1.047 891 V CA -0.171 62.144 62.300 0.024 0.000 0.880 891 V CB 1.159 32.995 31.823 0.021 0.000 1.009 891 V HN 0.928 nan 8.190 nan 0.000 0.429 892 A N 3.202 125.931 122.820 -0.151 0.000 2.347 892 A HA 0.911 5.231 4.320 -0.000 0.000 0.301 892 A C 0.535 178.140 177.584 0.035 0.000 1.163 892 A CA -0.311 51.599 52.037 -0.211 0.000 0.860 892 A CB 1.567 20.220 19.000 -0.579 0.000 1.367 892 A HN 0.679 nan 8.150 nan 0.000 0.461 893 E N -0.154 120.059 120.200 0.023 0.000 2.102 893 E HA 0.094 4.444 4.350 -0.000 0.000 0.190 893 E C 0.393 177.075 176.600 0.135 0.000 0.971 893 E CA 1.071 57.515 56.400 0.075 0.000 0.821 893 E CB 0.171 29.892 29.700 0.036 0.000 0.777 893 E HN 0.512 nan 8.360 nan 0.000 0.460 894 R N -0.575 120.020 120.500 0.158 0.000 2.854 894 R HA 0.591 4.931 4.340 -0.000 0.000 0.271 894 R C -1.100 175.394 176.300 0.324 0.000 0.996 894 R CA -0.929 55.294 56.100 0.204 0.000 0.961 894 R CB 2.332 32.717 30.300 0.141 0.000 1.182 894 R HN -0.179 nan 8.270 nan 0.000 0.479 895 V N 1.890 122.002 119.914 0.330 0.000 2.531 895 V HA 0.359 4.479 4.120 -0.000 0.000 0.301 895 V C -0.432 175.937 176.094 0.460 0.000 1.034 895 V CA -0.909 61.624 62.300 0.389 0.000 0.865 895 V CB 1.817 33.822 31.823 0.303 0.000 0.995 895 V HN 0.696 nan 8.190 nan 0.000 0.424 896 N N 4.135 123.091 118.700 0.428 0.000 2.295 896 N HA 0.555 5.295 4.740 -0.000 0.000 0.293 896 N C -1.501 174.281 175.510 0.454 0.000 1.040 896 N CA -0.422 52.846 53.050 0.364 0.000 0.840 896 N CB 2.947 41.541 38.487 0.178 0.000 1.468 896 N HN 0.826 nan 8.380 nan 0.000 0.478 897 W N 3.074 124.430 121.300 0.094 0.000 3.137 897 W HA 0.589 5.249 4.660 -0.000 0.000 0.324 897 W C -2.182 174.333 176.519 -0.006 0.000 1.253 897 W CA -1.080 56.305 57.345 0.067 0.000 1.183 897 W CB 0.703 30.241 29.460 0.131 0.000 1.424 897 W HN 0.261 nan 8.180 nan 0.000 0.566 898 L N 3.972 125.199 121.223 0.008 0.000 2.318 898 L HA 0.933 5.273 4.340 -0.000 0.000 0.277 898 L C -0.037 176.763 176.870 -0.117 0.000 1.008 898 L CA 0.367 55.038 54.840 -0.282 0.000 0.846 898 L CB 0.836 42.782 42.059 -0.189 0.000 1.220 898 L HN 1.046 nan 8.230 nan 0.000 0.423 899 G N 3.720 112.354 108.800 -0.277 0.000 2.356 899 G HA2 0.210 4.170 3.960 -0.000 0.000 0.281 899 G HA3 0.210 4.170 3.960 -0.000 0.000 0.281 899 G C -1.646 173.391 174.900 0.229 0.000 1.246 899 G CA -1.035 44.127 45.100 0.103 0.000 0.889 899 G HN 0.442 nan 8.290 nan 0.000 0.486 900 L N 1.037 122.478 121.223 0.364 0.000 2.380 900 L HA 0.622 4.962 4.340 -0.000 0.000 0.273 900 L C 1.054 178.026 176.870 0.171 0.000 1.138 900 L CA 0.672 55.663 54.840 0.252 0.000 0.832 900 L CB 0.728 42.863 42.059 0.127 0.000 1.124 900 L HN 1.151 nan 8.230 nan 0.000 0.454 901 G N 2.712 111.398 108.800 -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 0.498 62.962 63.100 -1.060 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 55.149 55.803 -0.204 0.000 0.936 903 Q CB 0.663 29.309 28.738 -0.152 0.000 1.204 903 Q HN 0.121 nan 8.270 nan 0.000 0.524 904 E N 1.457 121.552 120.200 -0.176 0.000 2.558 904 E HA -0.123 4.227 4.350 -0.000 0.000 0.255 904 E C -1.177 175.343 176.600 -0.134 0.000 0.968 904 E CA 0.223 56.512 56.400 -0.185 0.000 0.939 904 E CB 0.185 29.843 29.700 -0.070 0.000 0.921 904 E HN 0.533 nan 8.360 nan 0.000 0.477 905 N N 3.051 121.596 118.700 -0.260 0.000 2.264 905 N HA 0.336 5.076 4.740 -0.000 0.000 0.288 905 N C -1.805 173.478 175.510 -0.378 0.000 1.094 905 N CA -0.680 52.267 53.050 -0.172 0.000 0.817 905 N CB 0.804 39.208 38.487 -0.138 0.000 1.604 905 N HN 0.240 nan 8.380 nan 0.000 0.473 906 Y N 0.047 120.246 120.300 -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 1.795 40.135 38.460 -0.199 0.000 1.299 906 Y HN 0.447 nan 8.280 nan 0.000 0.498 907 P HA -0.156 nan 4.420 nan 0.000 0.216 907 P C 0.268 177.459 177.300 -0.182 0.000 1.150 907 P CA 2.007 65.117 63.100 0.016 0.000 0.843 907 P CB 0.209 32.003 31.700 0.158 0.000 0.787 908 D N -2.272 117.843 120.400 -0.475 0.000 2.368 908 D HA 0.036 4.675 4.640 -0.000 0.000 0.218 908 D C 0.612 176.779 176.300 -0.222 0.000 1.112 908 D CA -0.026 53.534 54.000 -0.733 0.000 0.834 908 D CB -0.179 39.879 40.800 -1.237 0.000 0.953 908 D HN 0.112 nan 8.370 nan 0.000 0.505 909 R N 1.058 121.512 120.500 -0.076 0.000 2.684 909 R HA 0.200 4.540 4.340 -0.000 0.000 0.252 909 R C -0.643 175.684 176.300 0.046 0.000 1.628 909 R CA -0.159 55.953 56.100 0.021 0.000 1.622 909 R CB 0.090 30.405 30.300 0.025 0.000 1.418 909 R HN 0.101 nan 8.270 nan 0.000 0.697 910 L N -1.744 119.516 121.223 0.062 0.000 3.520 910 L HA 0.326 4.666 4.340 -0.000 0.000 0.323 910 L C 1.279 178.208 176.870 0.098 0.000 1.246 910 L CA 0.084 54.960 54.840 0.059 0.000 1.085 910 L CB 0.190 42.267 42.059 0.029 0.000 1.477 910 L HN 0.094 nan 8.230 nan 0.000 0.624 911 T N -2.590 112.049 114.554 0.141 0.000 2.915 911 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 911 T C 1.737 176.528 174.700 0.152 0.000 1.071 911 T CA 1.297 63.506 62.100 0.182 0.000 1.132 911 T CB -0.277 68.736 68.868 0.241 0.000 0.878 911 T HN 0.399 nan 8.240 nan 0.000 0.479 912 A N 1.391 124.304 122.820 0.155 0.000 2.119 912 A HA 0.662 4.982 4.320 -0.000 0.000 0.216 912 A C 1.685 179.375 177.584 0.176 0.000 1.152 912 A CA 0.543 52.637 52.037 0.096 0.000 0.708 912 A CB -0.900 18.252 19.000 0.253 0.000 0.805 912 A HN 0.824 nan 8.150 nan 0.000 0.460 916 D N 2.940 122.737 120.400 -1.004 0.000 3.145 916 D HA 0.345 4.985 4.640 -0.000 0.000 0.345 916 D C -1.490 173.905 176.300 -1.508 0.000 1.391 916 D CA -0.670 52.583 54.000 -1.246 0.000 0.930 916 D CB 2.248 42.265 40.800 -1.306 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 0.474 4.814 4.340 -0.000 0.000 0.332 917 R C -1.261 174.232 176.300 -1.345 0.000 0.989 917 R CA -0.451 54.965 56.100 -1.139 0.000 0.842 917 R CB 0.484 30.389 30.300 -0.657 0.000 1.119 917 R HN 0.241 nan 8.270 nan 0.000 0.456 918 W N 2.584 123.335 121.300 -0.915 0.000 2.639 918 W HA 0.418 5.078 4.660 -0.000 0.000 0.347 918 W C -0.407 175.714 176.519 -0.663 0.000 1.067 918 W CA -0.663 56.098 57.345 -0.973 0.000 1.218 918 W CB 1.500 29.914 29.460 -1.743 0.000 1.393 918 W HN 0.314 nan 8.180 nan 0.000 0.557 919 D N 2.671 123.013 120.400 -0.096 0.000 2.602 919 D HA 0.468 5.108 4.640 -0.000 0.000 0.245 919 D C -1.288 175.108 176.300 0.159 0.000 1.325 919 D CA -0.109 53.934 54.000 0.072 0.000 0.952 919 D CB 1.094 41.906 40.800 0.019 0.000 1.317 919 D HN 0.366 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 -2.517 174.479 176.870 0.209 0.000 1.040 920 L CA -2.201 52.779 54.840 0.233 0.000 0.837 920 L CB 2.578 44.809 42.059 0.286 0.000 1.425 920 L HN 0.136 nan 8.230 nan 0.000 0.414 921 P HA 0.146 nan 4.420 nan 0.000 0.282 921 P C 0.456 177.839 177.300 0.139 0.000 1.249 921 P CA -0.465 62.714 63.100 0.132 0.000 0.806 921 P CB 1.097 32.854 31.700 0.094 0.000 0.984 922 L N 3.467 124.777 121.223 0.144 0.000 2.089 922 L HA -0.280 4.060 4.340 -0.000 0.000 0.213 922 L C 2.092 179.020 176.870 0.096 0.000 1.079 922 L CA 2.675 57.592 54.840 0.127 0.000 0.758 922 L CB -1.416 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 -1.711 114.045 115.700 0.095 0.000 2.400 923 S HA -0.187 4.283 4.470 -0.000 0.000 0.232 923 S C 1.597 176.269 174.600 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 0.522 nan 8.310 nan 0.000 0.478 924 D N 1.243 121.695 120.400 0.086 0.000 2.348 924 D HA 0.094 4.734 4.640 -0.000 0.000 0.216 924 D C 1.198 177.512 176.300 0.023 0.000 0.970 924 D CA 0.605 54.637 54.000 0.053 0.000 0.889 924 D CB -0.162 40.674 40.800 0.060 0.000 0.912 924 D HN 0.411 nan 8.370 nan 0.000 0.524 925 M N -0.291 119.332 119.600 0.039 0.000 2.505 925 M HA 0.086 4.566 4.480 -0.000 0.000 0.230 925 M C -0.162 176.157 176.300 0.033 0.000 1.153 925 M CA -0.054 55.227 55.300 -0.032 0.000 0.997 925 M CB -0.804 31.765 32.600 -0.052 0.000 1.606 925 M HN -0.046 nan 8.290 nan 0.000 0.481 926 Y N -0.039 120.224 120.300 -0.062 0.000 2.376 926 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 926 Y C -0.861 174.974 175.900 -0.108 0.000 0.965 926 Y CA -0.690 57.382 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 8.876 122.922 114.554 -0.848 0.000 2.788 927 T HA 0.279 4.629 4.350 -0.000 0.000 0.296 927 T C -2.706 171.198 174.700 -1.327 0.000 1.009 927 T CA -1.515 60.009 62.100 -0.961 0.000 0.949 927 T CB 1.058 69.463 68.868 -0.773 0.000 0.946 927 T HN 0.449 nan 8.240 nan 0.000 0.453 928 P HA 0.111 nan 4.420 nan 0.000 0.225 928 P C -0.661 176.456 177.300 -0.306 0.000 1.768 928 P CA -0.382 62.288 63.100 -0.717 0.000 0.943 928 P CB -0.770 30.658 31.700 -0.453 0.000 1.936 929 Y N -0.320 119.883 120.300 -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 -0.508 57.571 58.100 -0.035 0.000 1.419 929 Y CB 0.602 38.983 38.460 -0.131 0.000 1.250 929 Y HN -0.108 nan 8.280 nan 0.000 0.540 930 V N 3.756 123.872 119.914 0.338 0.000 2.317 930 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 930 V C 0.563 176.816 176.094 0.265 0.000 1.065 930 V CA 1.598 64.079 62.300 0.301 0.000 1.049 930 V CB -0.574 31.469 31.823 0.366 0.000 0.651 930 V HN 0.603 nan 8.190 nan 0.000 0.450 931 F N 3.236 123.219 119.950 0.056 0.000 2.361 931 F HA 0.525 5.052 4.527 -0.000 0.000 0.364 931 F C -2.418 173.373 175.800 -0.015 0.000 1.120 931 F CA -3.281 54.697 58.000 -0.037 0.000 1.102 931 F CB 0.924 39.789 39.000 -0.224 0.000 1.183 931 F HN -0.013 nan 8.300 nan 0.000 0.476 932 P HA 0.313 nan 4.420 nan 0.000 0.275 932 P C -1.117 175.894 177.300 -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 -0.405 115.192 115.700 -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 0.040 0.000 0.937 934 E CB -0.403 29.343 29.700 0.078 0.000 0.923 934 E HN 0.780 nan 8.360 nan 0.000 0.468 935 N N 1.604 120.379 118.700 0.125 0.000 3.116 935 N HA 0.535 5.275 4.740 -0.000 0.000 0.244 935 N C 0.299 175.860 175.510 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 0.644 nan 8.380 nan 0.000 0.524 936 G N -1.437 107.378 108.800 0.025 0.000 2.179 936 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 936 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 936 G C -0.167 174.493 174.900 -0.400 0.000 0.977 936 G CA 0.398 45.400 45.100 -0.163 0.000 0.641 936 G HN 0.683 nan 8.290 nan 0.000 0.533 937 L N 1.297 122.213 121.223 -0.512 0.000 2.499 937 L HA 0.489 4.829 4.340 -0.000 0.000 0.281 937 L C 0.888 177.197 176.870 -0.935 0.000 1.234 937 L CA 0.496 54.796 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 3.596 123.459 120.500 -1.061 0.000 2.575 938 R HA 0.478 4.818 4.340 -0.000 0.000 0.293 938 R C -1.193 174.742 176.300 -0.608 0.000 0.983 938 R CA -0.726 54.866 56.100 -0.847 0.000 0.887 938 R CB 0.876 30.642 30.300 -0.891 0.000 1.184 938 R HN 0.549 nan 8.270 nan 0.000 0.445 939 C N -0.007 119.083 119.300 -0.349 0.000 2.354 939 C HA 0.643 5.103 4.460 -0.000 0.000 0.381 939 C C 1.353 176.315 174.990 -0.046 0.000 1.240 939 C CA 0.358 59.257 59.018 -0.199 0.000 2.089 939 C CB 1.145 28.791 27.740 -0.157 0.000 2.234 939 C HN 1.074 nan 8.230 nan 0.000 0.544 940 G N 2.172 110.956 108.800 -0.027 0.000 2.395 940 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.300 940 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.300 940 G C -0.084 174.869 174.900 0.089 0.000 0.998 940 G CA 0.545 45.676 45.100 0.051 0.000 1.046 940 G HN 0.798 nan 8.290 nan 0.000 0.513 941 T N -0.338 114.140 114.554 -0.127 0.000 2.799 941 T HA 0.494 4.844 4.350 -0.000 0.000 0.286 941 T C 1.540 175.962 174.700 -0.464 0.000 0.973 941 T CA -0.526 61.463 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 1.332 121.774 120.500 -0.098 0.000 2.279 942 R HA 0.261 4.601 4.340 -0.000 0.000 0.195 942 R C 0.526 176.875 176.300 0.082 0.000 0.905 942 R CA 0.169 56.260 56.100 -0.016 0.000 1.044 942 R CB 0.843 31.248 30.300 0.175 0.000 1.056 942 R HN 0.610 nan 8.270 nan 0.000 0.535 943 E N 0.953 121.222 120.200 0.115 0.000 2.321 943 E HA 0.272 4.622 4.350 -0.000 0.000 0.281 943 E C -2.043 174.709 176.600 0.253 0.000 0.910 943 E CA -0.617 55.918 56.400 0.225 0.000 0.770 943 E CB 1.825 31.624 29.700 0.165 0.000 1.225 943 E HN -0.098 nan 8.360 nan 0.000 0.417 944 L N 4.129 125.551 121.223 0.332 0.000 2.410 944 L HA 0.600 4.940 4.340 -0.000 0.000 0.270 944 L C -1.866 175.228 176.870 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 4.488 123.374 118.700 0.310 0.000 2.346 945 N HA 0.406 5.146 4.740 -0.000 0.000 0.289 945 N C -2.033 173.722 175.510 0.407 0.000 1.027 945 N CA -0.282 52.956 53.050 0.314 0.000 0.864 945 N CB 2.291 40.897 38.487 0.198 0.000 1.370 945 N HN 0.614 nan 8.380 nan 0.000 0.481 946 Y N 1.291 121.751 120.300 0.267 0.000 2.323 946 Y HA 0.419 4.969 4.550 -0.000 0.000 0.322 946 Y C 0.471 176.485 175.900 0.190 0.000 1.133 946 Y CA 0.201 58.440 58.100 0.232 0.000 1.093 946 Y CB 0.567 39.205 38.460 0.297 0.000 1.203 946 Y HN 0.868 nan 8.280 nan 0.000 0.427 947 G N 6.397 115.080 108.800 -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 -1.909 172.902 174.900 -0.147 0.000 1.200 947 G CA -0.062 44.892 45.100 -0.245 0.000 0.951 947 G HN 0.552 nan 8.290 nan 0.000 0.566 948 P HA 0.131 nan 4.420 nan 0.000 0.236 948 P C 0.514 177.586 177.300 -0.381 0.000 1.177 948 P CA 0.963 63.871 63.100 -0.319 0.000 0.773 948 P CB -0.050 31.380 31.700 -0.450 0.000 0.878 949 H N -0.220 118.797 119.070 -0.088 0.000 2.505 949 H HA 0.470 5.026 4.556 -0.000 0.000 0.351 949 H C 0.419 175.514 175.328 -0.389 0.000 1.151 949 H CA -0.169 55.705 56.048 -0.291 0.000 1.339 949 H CB 0.826 30.250 29.762 -0.564 0.000 1.483 949 H HN -0.049 nan 8.280 nan 0.000 0.558 950 Q N 2.722 122.274 119.800 -0.413 0.000 2.284 950 Q HA 0.221 4.561 4.340 -0.000 0.000 0.269 950 Q C -1.901 173.883 176.000 -0.361 0.000 1.026 950 Q CA -0.771 54.892 55.803 -0.233 0.000 0.831 950 Q CB 1.780 30.512 28.738 -0.010 0.000 1.322 950 Q HN 0.633 nan 8.270 nan 0.000 0.419 951 W N 3.542 124.846 121.300 0.007 0.000 2.819 951 W HA 0.596 5.256 4.660 -0.000 0.000 0.337 951 W C -0.454 176.160 176.519 0.158 0.000 1.077 951 W CA -0.792 56.534 57.345 -0.031 0.000 1.226 951 W CB 2.237 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 0.741 121.496 120.500 0.424 0.000 2.744 952 R HA 0.861 5.201 4.340 -0.000 0.000 0.279 952 R C 0.131 176.707 176.300 0.460 0.000 0.977 952 R CA -0.586 55.770 56.100 0.427 0.000 0.906 952 R CB 2.364 32.830 30.300 0.277 0.000 1.197 952 R HN 0.705 nan 8.270 nan 0.000 0.463 953 G N 0.500 109.585 108.800 0.475 0.000 2.513 953 G HA2 0.105 4.065 3.960 -0.000 0.000 0.182 953 G HA3 0.105 4.065 3.960 -0.000 0.000 0.182 953 G C -1.772 173.278 174.900 0.251 0.000 1.190 953 G CA -0.530 44.816 45.100 0.410 0.000 0.987 953 G HN 0.513 nan 8.290 nan 0.000 0.479 954 D N 0.115 120.671 120.400 0.259 0.000 2.330 954 D HA 0.649 5.289 4.640 -0.000 0.000 0.249 954 D C -0.551 175.761 176.300 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 -1.387 174.373 175.800 -0.067 0.000 1.196 955 F CA -1.097 56.834 58.000 -0.115 0.000 0.929 955 F CB 0.670 39.587 39.000 -0.138 0.000 1.440 955 F HN -0.095 nan 8.300 nan 0.000 0.505 956 Q N 1.436 121.324 119.800 0.147 0.000 2.387 956 Q HA 0.677 5.017 4.340 -0.000 0.000 0.273 956 Q C -1.315 174.781 176.000 0.160 0.000 1.089 956 Q CA -0.514 55.294 55.803 0.009 0.000 0.824 956 Q CB 2.805 31.422 28.738 -0.202 0.000 1.367 956 Q HN 0.880 nan 8.270 nan 0.000 0.443 957 F N -1.179 118.660 119.950 -0.186 0.000 2.711 957 F HA 0.778 5.305 4.527 -0.000 0.000 0.313 957 F C -1.605 173.986 175.800 -0.348 0.000 1.141 957 F CA -1.084 56.765 58.000 -0.251 0.000 0.941 957 F CB 1.618 40.483 39.000 -0.226 0.000 1.349 957 F HN 0.576 nan 8.300 nan 0.000 0.464 958 N N 1.083 119.656 118.700 -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 52.211 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 -1.255 174.817 176.117 -0.076 0.000 1.163 959 I CA 0.072 61.313 61.300 -0.100 0.000 1.044 959 I CB 1.333 39.216 38.000 -0.196 0.000 1.251 959 I HN 1.068 nan 8.210 nan 0.000 0.424 960 S N 6.368 122.037 115.700 -0.052 0.000 2.714 960 S HA 0.519 4.989 4.470 -0.000 0.000 0.280 960 S C -0.350 174.183 174.600 -0.111 0.000 1.200 960 S CA -0.952 57.211 58.200 -0.061 0.000 0.900 960 S CB 1.533 64.762 63.200 0.048 0.000 1.235 960 S HN 0.621 nan 8.310 nan 0.000 0.512 961 R N -0.113 120.145 120.500 -0.403 0.000 2.427 961 R HA 0.287 4.627 4.340 -0.000 0.000 0.262 961 R C -0.979 174.969 176.300 -0.587 0.000 0.943 961 R CA 0.195 56.008 56.100 -0.479 0.000 1.081 961 R CB -0.541 29.346 30.300 -0.687 0.000 1.166 961 R HN 0.634 nan 8.270 nan 0.000 0.534 962 Y N 0.342 120.610 120.300 -0.054 0.000 2.409 962 Y HA 0.250 4.800 4.550 -0.000 0.000 0.343 962 Y C 0.782 176.428 175.900 -0.423 0.000 0.973 962 Y CA -1.171 56.804 58.100 -0.209 0.000 1.064 962 Y CB 1.478 39.771 38.460 -0.279 0.000 1.207 962 Y HN -0.098 nan 8.280 nan 0.000 0.452 963 S N 1.555 116.904 115.700 -0.584 0.000 2.603 963 S HA 0.077 4.547 4.470 -0.000 0.000 0.268 963 S C 0.865 175.130 174.600 -0.558 0.000 1.317 963 S CA -0.690 56.820 58.200 -1.150 0.000 1.012 963 S CB 1.171 63.644 63.200 -1.211 0.000 0.926 963 S HN 0.751 nan 8.310 nan 0.000 0.539 964 Q N 0.608 120.087 119.800 -0.534 0.000 2.135 964 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 964 Q C 2.175 178.042 176.000 -0.222 0.000 0.981 964 Q CA 1.775 57.408 55.803 -0.283 0.000 0.856 964 Q CB -0.500 28.109 28.738 -0.215 0.000 0.902 964 Q HN 0.938 nan 8.270 nan 0.000 0.425 965 Q N 0.653 120.295 119.800 -0.264 0.000 2.079 965 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 965 Q C 2.044 177.947 176.000 -0.162 0.000 0.974 965 Q CA 1.324 57.025 55.803 -0.170 0.000 0.840 965 Q CB 0.026 28.685 28.738 -0.132 0.000 0.898 965 Q HN 0.429 nan 8.270 nan 0.000 0.430 966 Q N 0.127 119.807 119.800 -0.200 0.000 2.050 966 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 966 Q C 2.373 178.257 176.000 -0.192 0.000 0.980 966 Q CA 1.304 57.000 55.803 -0.179 0.000 0.840 966 Q CB -0.092 28.521 28.738 -0.207 0.000 0.898 966 Q HN 0.465 nan 8.270 nan 0.000 0.424 967 L N 0.176 121.279 121.223 -0.200 0.000 2.043 967 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 967 L C 2.693 179.433 176.870 -0.217 0.000 1.075 967 L CA 1.398 56.111 54.840 -0.213 0.000 0.752 967 L CB -0.386 41.578 42.059 -0.159 0.000 0.891 967 L HN 0.417 nan 8.230 nan 0.000 0.432 968 M N -0.645 118.856 119.600 -0.167 0.000 2.394 968 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 968 M C 1.583 177.803 176.300 -0.133 0.000 1.073 968 M CA 1.545 56.759 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 -0.728 119.395 120.200 -0.128 0.000 2.452 969 E HA 0.067 4.417 4.350 -0.000 0.000 0.197 969 E C -0.251 176.298 176.600 -0.085 0.000 1.022 969 E CA 0.153 56.500 56.400 -0.087 0.000 0.890 969 E CB 0.563 30.225 29.700 -0.065 0.000 0.918 969 E HN 0.317 nan 8.360 nan 0.000 0.496 970 T N 0.831 115.303 114.554 -0.137 0.000 2.744 970 T HA 0.071 4.421 4.350 -0.000 0.000 0.291 970 T C 1.129 175.729 174.700 -0.167 0.000 0.957 970 T CA -0.312 61.706 62.100 -0.136 0.000 1.002 970 T CB 1.530 70.286 68.868 -0.186 0.000 0.919 970 T HN 0.043 nan 8.240 nan 0.000 0.468 971 S N 2.182 117.870 115.700 -0.020 0.000 2.496 971 S HA 0.038 4.508 4.470 -0.000 0.000 0.224 971 S C 0.321 174.980 174.600 0.098 0.000 0.996 971 S CA 0.350 58.609 58.200 0.099 0.000 0.927 971 S CB -0.213 63.188 63.200 0.335 0.000 0.774 971 S HN 0.746 nan 8.310 nan 0.000 0.524 972 H N 0.238 119.293 119.070 -0.026 0.000 2.851 972 H HA 0.515 5.071 4.556 -0.000 0.000 0.372 972 H C 0.944 176.236 175.328 -0.060 0.000 1.158 972 H CA -0.762 55.333 56.048 0.079 0.000 1.159 972 H CB 1.519 31.348 29.762 0.111 0.000 1.757 972 H HN 0.104 nan 8.280 nan 0.000 0.546 973 R N 1.347 121.955 120.500 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 1.936 58.069 56.100 0.056 0.000 0.967 973 R CB -0.570 29.790 30.300 0.099 0.000 0.861 973 R HN 0.772 nan 8.270 nan 0.000 0.442 974 H N 1.585 120.657 119.070 0.003 0.000 2.489 974 H HA -0.023 4.533 4.556 -0.000 0.000 0.293 974 H C 1.539 176.786 175.328 -0.135 0.000 1.066 974 H CA 1.044 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 -0.033 41.741 42.059 -0.474 0.000 1.033 975 L HN 0.048 nan 8.230 nan 0.000 0.450 976 L N 0.744 121.837 121.223 -0.217 0.000 2.395 976 L HA 0.217 4.557 4.340 -0.000 0.000 0.269 976 L C 0.268 177.130 176.870 -0.013 0.000 1.133 976 L CA -0.298 54.414 54.840 -0.214 0.000 0.812 976 L CB 0.607 42.355 42.059 -0.519 0.000 1.125 976 L HN 0.170 nan 8.230 nan 0.000 0.452 977 H N 1.686 120.801 119.070 0.075 0.000 2.529 977 H HA 0.610 5.166 4.556 -0.000 0.000 0.348 977 H C -0.762 174.665 175.328 0.164 0.000 1.079 977 H CA -1.193 54.916 56.048 0.103 0.000 1.198 977 H CB 1.399 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 4.051 126.952 122.820 0.136 0.000 2.540 978 A HA 0.083 4.403 4.320 -0.000 0.000 0.239 978 A C 0.357 177.961 177.584 0.032 0.000 1.061 978 A CA -0.186 51.769 52.037 -0.137 0.000 0.758 978 A CB 0.011 18.915 19.000 -0.160 0.000 0.991 978 A HN 0.871 nan 8.150 nan 0.000 0.502 979 E N 1.110 121.286 120.200 -0.040 0.000 2.359 979 E HA 0.117 4.467 4.350 -0.000 0.000 0.255 979 E C 0.640 177.260 176.600 0.033 0.000 1.191 979 E CA -0.697 55.768 56.400 0.108 0.000 0.952 979 E CB 0.670 30.521 29.700 0.252 0.000 1.152 979 E HN 0.822 nan 8.360 nan 0.000 0.496 980 E N 0.227 120.446 120.200 0.032 0.000 2.065 980 E HA -0.210 4.140 4.350 -0.000 0.000 0.201 980 E C 0.922 177.474 176.600 -0.081 0.000 1.016 980 E CA 1.725 58.107 56.400 -0.031 0.000 0.818 980 E CB 0.015 29.696 29.700 -0.031 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.357 107.350 108.800 -0.156 0.000 3.392 981 G HA2 0.250 4.210 3.960 -0.000 0.000 0.185 981 G HA3 0.250 4.210 3.960 -0.000 0.000 0.185 981 G C -0.684 174.135 174.900 -0.136 0.000 1.206 981 G CA -0.159 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 0.452 114.923 114.554 -0.139 0.000 2.807 982 T HA 0.411 4.761 4.350 -0.000 0.000 0.279 982 T C -1.556 173.008 174.700 -0.227 0.000 0.993 982 T CA -0.073 61.967 62.100 -0.100 0.000 0.970 982 T CB 1.611 70.508 68.868 0.049 0.000 0.950 982 T HN 0.309 nan 8.240 nan 0.000 0.441 983 W N 3.066 124.280 121.300 -0.144 0.000 2.361 983 W HA 0.631 5.291 4.660 -0.000 0.000 0.309 983 W C -0.434 175.968 176.519 -0.196 0.000 1.122 983 W CA -0.704 56.553 57.345 -0.146 0.000 1.208 983 W CB 0.917 30.298 29.460 -0.132 0.000 1.246 983 W HN 0.366 nan 8.180 nan 0.000 0.490 984 L N 5.422 126.679 121.223 0.058 0.000 2.362 984 L HA 0.524 4.864 4.340 -0.000 0.000 0.275 984 L C -1.001 175.792 176.870 -0.127 0.000 0.998 984 L CA -0.448 54.304 54.840 -0.146 0.000 0.820 984 L CB 1.092 42.930 42.059 -0.368 0.000 1.270 984 L HN 0.323 nan 8.230 nan 0.000 0.415 985 N N 6.943 125.549 118.700 -0.156 0.000 2.442 985 N HA 0.452 5.192 4.740 -0.000 0.000 0.274 985 N C -1.273 174.107 175.510 -0.216 0.000 1.002 985 N CA -0.343 52.606 53.050 -0.169 0.000 0.910 985 N CB 2.245 40.656 38.487 -0.127 0.000 1.244 985 N HN 0.487 nan 8.380 nan 0.000 0.492 986 I N 1.837 122.223 120.570 -0.306 0.000 2.354 986 I HA 0.266 4.436 4.170 -0.000 0.000 0.286 986 I C -0.459 175.469 176.117 -0.316 0.000 1.007 986 I CA -0.452 60.624 61.300 -0.373 0.000 1.167 986 I CB 1.397 39.034 38.000 -0.606 0.000 1.320 986 I HN 0.170 nan 8.210 nan 0.000 0.458 987 D N 4.548 124.803 120.400 -0.241 0.000 2.217 987 D HA 0.316 4.956 4.640 -0.000 0.000 0.243 987 D C 1.069 177.087 176.300 -0.471 0.000 1.054 987 D CA -0.220 53.584 54.000 -0.327 0.000 0.838 987 D CB 2.592 43.294 40.800 -0.164 0.000 1.162 987 D HN 0.694 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 0.019 3.979 3.960 -0.000 0.000 0.215 988 G HA3 0.019 3.979 3.960 -0.000 0.000 0.215 988 G C 0.062 174.155 174.900 -1.345 0.000 1.156 988 G CA 0.566 44.880 45.100 -1.310 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.535 989 F N -1.917 117.824 119.950 -0.348 0.000 2.654 989 F HA 0.545 5.072 4.527 -0.000 0.000 0.308 989 F C -0.668 175.025 175.800 -0.179 0.000 1.108 989 F CA -1.259 56.618 58.000 -0.205 0.000 0.957 989 F CB 1.903 40.725 39.000 -0.297 0.000 1.309 989 F HN -0.072 nan 8.300 nan 0.000 0.446 990 H N 2.404 121.481 119.070 0.012 0.000 2.865 990 H HA 0.419 4.975 4.556 -0.000 0.000 0.362 990 H C -1.141 174.204 175.328 0.029 0.000 1.114 990 H CA -0.719 55.308 56.048 -0.034 0.000 1.208 990 H CB 2.488 32.209 29.762 -0.068 0.000 1.727 990 H HN 0.837 nan 8.280 nan 0.000 0.534 991 M N 2.426 122.002 119.600 -0.040 0.000 2.245 991 M HA 0.264 4.744 4.480 -0.000 0.000 0.330 991 M C 0.585 177.002 176.300 0.195 0.000 1.098 991 M CA 0.281 55.613 55.300 0.054 0.000 1.172 991 M CB 0.381 32.913 32.600 -0.112 0.000 1.467 991 M HN 0.745 nan 8.290 nan 0.000 0.454 992 G N 2.376 111.257 108.800 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 44.773 45.100 0.004 0.000 0.934 992 G HN 0.962 nan 8.290 nan 0.000 0.534 993 I N -2.708 117.783 120.570 -0.132 0.000 3.939 993 I HA 0.453 4.623 4.170 -0.000 0.000 0.313 993 I C 1.149 177.191 176.117 -0.125 0.000 1.274 993 I CA 0.506 61.702 61.300 -0.174 0.000 1.301 993 I CB -0.324 37.484 38.000 -0.319 0.000 1.105 993 I HN 0.970 nan 8.210 nan 0.000 0.427 994 G N 1.618 110.364 108.800 -0.090 0.000 2.598 994 G HA2 0.056 4.016 3.960 -0.000 0.000 0.244 994 G HA3 0.056 4.016 3.960 -0.000 0.000 0.244 994 G C 0.575 175.465 174.900 -0.016 0.000 1.302 994 G CA 0.103 45.189 45.100 -0.022 0.000 0.903 994 G HN 1.413 nan 8.290 nan 0.000 0.575 995 G N -2.250 106.555 108.800 0.008 0.000 2.370 995 G HA2 0.023 3.983 3.960 -0.000 0.000 0.174 995 G HA3 0.023 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 0.990 nan 8.290 nan 0.000 0.497 996 D N 1.176 121.633 120.400 0.095 0.000 2.221 996 D HA 0.133 4.773 4.640 -0.000 0.000 0.204 996 D C 0.957 177.275 176.300 0.031 0.000 0.982 996 D CA 2.077 56.190 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 -3.527 116.693 120.400 -0.300 0.000 2.653 997 D HA 0.246 4.886 4.640 -0.000 0.000 0.258 997 D C -0.853 174.930 176.300 -0.860 0.000 1.252 997 D CA -0.735 52.669 54.000 -0.995 0.000 0.777 997 D CB 0.737 40.504 40.800 -1.722 0.000 1.339 997 D HN -0.292 nan 8.370 nan 0.000 0.422 998 S N -0.180 114.810 115.700 -1.184 0.000 2.588 998 S HA 0.258 4.728 4.470 -0.000 0.000 0.245 998 S C -0.501 174.164 174.600 0.109 0.000 1.021 998 S CA -0.641 57.404 58.200 -0.258 0.000 1.006 998 S CB -0.600 62.684 63.200 0.139 0.000 0.830 998 S HN 0.615 nan 8.310 nan 0.000 0.468 999 W N 0.926 122.172 121.300 -0.090 0.000 2.036 999 W HA 0.544 5.204 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 -0.564 56.739 57.345 -0.072 0.000 1.488 999 W CB -0.545 28.812 29.460 -0.172 0.000 1.079 999 W HN 0.171 nan 8.180 nan 0.000 0.506 1000 S N -1.006 114.610 115.700 -0.140 0.000 2.596 1000 S HA 0.659 5.129 4.470 -0.000 0.000 0.270 1000 S C -3.156 171.395 174.600 -0.082 0.000 1.155 1000 S CA -1.659 56.489 58.200 -0.087 0.000 0.827 1000 S CB 1.737 64.898 63.200 -0.066 0.000 1.130 1000 S HN -0.204 nan 8.310 nan 0.000 0.467 1001 P HA 0.247 nan 4.420 nan 0.000 0.266 1001 P C 0.230 177.579 177.300 0.081 0.000 1.215 1001 P CA -0.128 63.005 63.100 0.054 0.000 0.763 1001 P CB 0.686 32.332 31.700 -0.091 0.000 0.806 1002 S N 0.690 116.465 115.700 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 -0.363 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 4.233 124.268 119.914 0.202 0.000 2.408 1003 V HA 0.414 4.534 4.120 -0.000 0.000 0.267 1003 V C 0.783 177.037 176.094 0.266 0.000 1.047 1003 V CA -0.475 61.942 62.300 0.196 0.000 0.937 1003 V CB 0.634 32.530 31.823 0.123 0.000 0.999 1003 V HN 0.650 nan 8.190 nan 0.000 0.472 1004 S N 4.440 120.325 115.700 0.308 0.000 2.579 1004 S HA 0.332 4.802 4.470 -0.000 0.000 0.275 1004 S C 1.495 176.241 174.600 0.243 0.000 1.345 1004 S CA -0.016 58.348 58.200 0.274 0.000 1.031 1004 S CB 1.302 64.629 63.200 0.212 0.000 0.892 1004 S HN 1.044 nan 8.310 nan 0.000 0.529 1005 A N 1.915 124.822 122.820 0.145 0.000 1.917 1005 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 1005 A C 1.907 179.492 177.584 0.001 0.000 1.182 1005 A CA 1.979 54.079 52.037 0.105 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 -1.050 119.055 120.200 -0.158 0.000 2.396 1006 E HA -0.117 4.233 4.350 -0.000 0.000 0.200 1006 E C 0.716 176.994 176.600 -0.537 0.000 1.023 1006 E CA 1.051 57.215 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 0.550 120.546 119.950 0.078 0.000 2.654 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.303 1007 F C 0.545 176.379 175.800 0.057 0.000 1.099 1007 F CA -0.521 57.524 58.000 0.075 0.000 1.270 1007 F CB 0.435 39.479 39.000 0.073 0.000 1.024 1007 F HN -0.168 nan 8.300 nan 0.000 0.548 1008 Q N 1.326 121.238 119.800 0.186 0.000 2.230 1008 Q HA 0.415 4.755 4.340 -0.000 0.000 0.248 1008 Q C -0.227 175.799 176.000 0.043 0.000 0.915 1008 Q CA -0.568 55.321 55.803 0.144 0.000 0.900 1008 Q CB 2.050 30.957 28.738 0.281 0.000 1.229 1008 Q HN 0.260 nan 8.270 nan 0.000 0.439 1009 L N 2.421 123.648 121.223 0.007 0.000 2.399 1009 L HA 0.113 4.453 4.340 -0.000 0.000 0.257 1009 L C 0.670 177.456 176.870 -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 -0.987 114.566 115.700 -0.245 0.000 2.568 1010 S HA 0.159 4.629 4.470 -0.000 0.000 0.232 1010 S C 1.567 176.083 174.600 -0.140 0.000 0.975 1010 S CA 0.161 58.061 58.200 -0.500 0.000 0.949 1010 S CB 0.742 63.633 63.200 -0.515 0.000 0.829 1010 S HN 0.524 nan 8.310 nan 0.000 0.479 1011 A N 1.364 124.145 122.820 -0.064 0.000 2.119 1011 A HA 0.490 4.810 4.320 -0.000 0.000 0.217 1011 A C 2.069 179.502 177.584 -0.251 0.000 1.153 1011 A CA 1.071 52.951 52.037 -0.262 0.000 0.692 1011 A CB -1.177 17.474 19.000 -0.581 0.000 0.799 1011 A HN 1.478 nan 8.150 nan 0.000 0.458 1012 G N -1.426 107.311 108.800 -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 0.433 175.296 174.900 -0.062 0.000 1.103 1012 G CA 0.387 45.474 45.100 -0.021 0.000 0.647 1012 G HN 0.660 nan 8.290 nan 0.000 0.512 1013 R N -0.598 119.705 120.500 -0.328 0.000 2.574 1013 R HA 0.645 4.985 4.340 -0.000 0.000 0.288 1013 R C -1.643 174.334 176.300 -0.538 0.000 1.004 1013 R CA -0.582 55.382 56.100 -0.227 0.000 0.895 1013 R CB 1.593 31.826 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 -0.378 175.686 175.900 0.273 0.000 0.981 1014 Y CA -0.852 57.235 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 2.719 122.071 119.070 0.471 0.000 2.679 1015 H HA 0.610 5.166 4.556 -0.000 0.000 0.360 1015 H C -1.716 173.978 175.328 0.610 0.000 1.105 1015 H CA -0.923 55.375 56.048 0.416 0.000 1.196 1015 H CB 1.212 31.115 29.762 0.235 0.000 1.636 1015 H HN 0.585 nan 8.280 nan 0.000 0.531 1016 Y N 1.191 121.277 120.300 -0.357 0.000 2.638 1016 Y HA 0.583 5.133 4.550 -0.000 0.000 0.335 1016 Y C -1.912 173.794 175.900 -0.324 0.000 1.155 1016 Y CA -1.082 56.889 58.100 -0.215 0.000 1.046 1016 Y CB 1.435 39.854 38.460 -0.068 0.000 1.303 1016 Y HN 0.661 nan 8.280 nan 0.000 0.460 1017 Q N 2.317 122.083 119.800 -0.056 0.000 2.418 1017 Q HA 0.811 5.151 4.340 -0.000 0.000 0.282 1017 Q C -1.811 174.254 176.000 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 0.190 121.465 121.223 0.087 0.000 2.479 1018 L HA 0.762 5.102 4.340 -0.000 0.000 0.255 1018 L C -1.191 175.788 176.870 0.181 0.000 1.026 1018 L CA -1.216 53.720 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 0.290 120.343 119.914 0.233 0.000 2.531 1019 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 1019 V C -1.106 175.173 176.094 0.309 0.000 1.034 1019 V CA -0.392 62.056 62.300 0.246 0.000 0.865 1019 V CB 2.038 33.979 31.823 0.197 0.000 0.995 1019 V HN 0.607 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.352 120.400 -0.081 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